X2JF29_DROME Loading...

Microsomal glutathione S-transferase 1

Conjugation of reduced glutathione to a wide number of exogenous and endogenous hydrophobic electrophiles.

AlphaFold DB , UniProt , Accession X2JF29, Species DROME (Drosophila melanogaster, Fruit fly), Gene CG5579, Length 177 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.1	Very low	47.5	Very low	247 Å²	247	131.6 Å²	131.6	100%	1.217	81%	0.806	S	S	*	*				0	77.8	0	-64.7	168.7	89	0	0	107.8
2	S	49.2	Very low	48	Very low	120 Å²	120	135.6 Å²	135.6	84%	0.839	81%	0.812	S	S	*	*			trans	-93	104.1	177.8	-178.9	0	0	0	0	106.8	A4	S2-A4 PolarHBondContact O-N 3.5Å; S2-A4 VanDerWaalsContact O-N 3.1Å
3	A	46.7	Very low	48.8	Very low	92 Å²	92	127.6 Å²	127.6	76%	0.76	77%	0.765	S	S	*	*			trans	-55.7	118.1	170	0	0	0	0	0	107.3	A5	A3-A5 PolarHBondContact O-N 3.26Å
4	A	46.5	Very low	49.8	Very low	94 Å²	94	123.1 Å²	123.1	78%	0.777	74%	0.742	S	S	*	*			trans	-53.9	109.2	173.5	0	0	0	0	0	107.2	S2 S6	S2-A4 PolarHBondContact O-N 3.5Å; S2-A4 VanDerWaalsContact O-N 3.1Å; A4-S6 PolarHBondContact O-N 2.99Å
5	A	50.1	Low	50.7	Low	91 Å²	91	122 Å²	122	75%	0.752	74%	0.739	S	S	*	*			trans	-56.3	98	163	0	0	0	0	0	105.5	A3 N7	A3-A5 PolarHBondContact O-N 3.26Å; A5-N7 PolarHBondContact O-N 3.23Å
6	S	46.8	Very low	52	Low	101 Å²	101	118.4 Å²	118.4	71%	0.706	73%	0.734	S	S	*	*			trans	-65.7	101.4	170.5	66.9	0	0	0	0	104.8	A4 S8	A4-S6 PolarHBondContact O-N 2.99Å; S6-S8 PolarHBondContact O-N 3.29Å
7	N	43.1	Very low	53.7	Low	157 Å²	157	114.6 Å²	114.6	84%	0.84	71%	0.708	S	S	*	*			trans	-60.1	72.3	160	-102.8	-14.6	0	0	0	106.7	A5 S9	A5-N7 PolarHBondContact O-N 3.23Å; N7-S9 PolarHBondContact O-N 3.3Å
8	S	48.8	Very low	55.4	Low	100 Å²	100	110.1 Å²	110.1	70%	0.699	68%	0.678	S	S	*	*			trans	-70.2	75.4	157.2	-73.6	0	0	0	0	105.3	S6 K10	S6-S8 PolarHBondContact O-N 3.29Å; S8-K10 PolarHBondContact O-N 2.63Å; S8-K10 VanDerWaalsContact O-N 3.08Å
9	S	46.6	Very low	57.2	Low	94 Å²	94	109.9 Å²	109.9	66%	0.657	67%	0.667	S	S	*	*			trans	-40.4	119.5	154.8	52.4	0	0	0	0	105.9	N7 M11	N7-S9 PolarHBondContact O-N 3.3Å; S9-M11 PolarHBondContact O-N 2.89Å
10	K	51.2	Low	58.9	Low	200 Å²	200	106.7 Å²	106.7	87%	0.87	65%	0.647	S	S	*	*			trans	-55.3	91.6	171.7	-78.2	172.2	171.9	175.6	0	106	S8 M12	S8-K10 PolarHBondContact O-N 2.63Å; S8-K10 VanDerWaalsContact O-N 3.08Å; K10-M12 PolarHBondContact O-N 3.07Å
11	M	52.3	Low	60.4	Low	152 Å²	152	107.9 Å²	107.9	75%	0.749	65%	0.649	S	S	*	*			trans	-57.3	104.8	161.1	-83	-163.2	-70.5	0	0	103.6	S9 T13	S9-M11 PolarHBondContact O-N 2.89Å; M11-T13 PolarHBondContact O-N 3.41Å
12	M	54.3	Low	62.7	Low	179 Å²	179	102.8 Å²	102.8	88%	0.882	62%	0.623	S	S	*	*			trans	-56.2	111.8	169.5	-72.2	-175.2	132.2	0	0	104.7	K10 S14	K10-M12 PolarHBondContact O-N 3.07Å; M12-S14 PolarHBondContact O-N 3.08Å
13	T	58	Low	64.6	Low	32 Å²	32	97.2 Å²	97.2	20%	0.196	58%	0.583	C	S	.	*			trans	-50.6	114.3	179.4	30.7	0	0	0	0	107.8	M11 N23 N117	M11-T13 PolarHBondContact O-N 3.41Å; T13-N23 HydrophobicContact CG2-CB 4.34Å; T13-N117 PolarHBondContact OG1-ND2 3.06Å; T13-N117 VanDerWaalsContact OG1-ND2 3.08Å; T13-N117 PolarHBondContact OG1-OD1 3.3Å
14	S	62	Low	66.8	Low	64 Å²	64	96.5 Å²	96.5	45%	0.448	57%	0.571	S	S	.	*			trans	-60.7	152	173.6	-170.8	0	0	0	0	107.7	M12 G16 D17	M12-S14 PolarHBondContact O-N 3.08Å; S14-G16 PolarHBondContact O-N 2.95Å; S14-D17 WeakPolarHBondContact CB-OD2 3.5Å; S14-D17 PolarHBondContact N-OD2 2.82Å; S14-D17 PolarHBondContact O-N 3.46Å
15	P	64.3	Low	69	Low	107 Å²	107	92 Å²	92	70%	0.695	53%	0.534	S	S	*	.	G	3₁₀ helix	trans	-52.6	-27.2	178.5	-27.4	34.5	0	0	0	114.2	D17 M18	P15-D17 VanDerWaalsContact C-N 3.32Å; P15-M18 HydrophobicContact CB-CE 4.12Å
16	G	71.4	Confident	71.1	Confident	64 Å²	64	89.1 Å²	89.1	66%	0.66	51%	0.505	S	S	*	.	G	3₁₀ helix	trans	-73.5	-16.8	174.5	0	0	0	0	0	115.2	S14	S14-G16 PolarHBondContact O-N 2.95Å
17	D	80.6	Confident	73.4	Confident	55 Å²	55	86.5 Å²	86.5	29%	0.294	49%	0.486	S	S	.	.	G	3₁₀ helix	trans	-99.7	6.4	-170	-55.3	-28.7	0	0	0	112.9	S14 P15 F19 T20	S14-D17 WeakPolarHBondContact CB-OD2 3.5Å; S14-D17 PolarHBondContact N-OD2 2.82Å; S14-D17 PolarHBondContact O-N 3.46Å; P15-D17 VanDerWaalsContact C-N 3.32Å; D17-F19 VanDerWaalsContact C-N 3.28Å; D17-F19 PolarHBondContact O-N 3.47Å; D17-T20 HydrophobicContact CB-CG2 4.4Å; D17-T20 PolarHBondContact O-N 3.19Å; D17-T20 PolarHBondContact O-OG1 2.9Å
18	M	84.5	Confident	75.8	Confident	33 Å²	33	79.8 Å²	79.8	16%	0.163	45%	0.451	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-32	-175.2	-60.1	-168.8	-152.7	0	0	112.9	P15 N23 S115	P15-M18 HydrophobicContact CB-CE 4.12Å; M18-N23 PolarHBondContact O-ND2 3.33Å; M18-S115 VanDerWaalsContact SD-C 3.6Å; M18-S115 VanDerWaalsContact SD-CA 3.57Å
19	F	89.2	Confident	78	Confident	107 Å²	107	75.9 Å²	75.9	47%	0.469	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.9	33	-179.4	-57.8	-68.3	0	0	0	112.4	D17 F26 L111 I114	D17-F19 VanDerWaalsContact C-N 3.28Å; D17-F19 PolarHBondContact O-N 3.47Å; F19-F26 HydrophobicContact CB-CE1 4.45Å; F19-F26 HydrophobicContact CB-CE2 4.39Å; F19-F26 HydrophobicContact CB-CZ 4.28Å; F19-F26 AromaticContact CD1-CD2 3.89Å; F19-F26 HydrophobicContact CD1-CD2 3.89Å; F19-F26 AromaticContact CD1-CE2 3.8Å; F19-F26 HydrophobicContact CD1-CE2 3.8Å; F19-F26 HydrophobicContact CD1-CZ 4.48Å; F19-F26 VanDerWaalsContact O-CE1 3.28Å; F19-F26 WeakPolarHBondContact O-CE1 3.23Å; F19-L111 HydrophobicContact CE1-CD2 4.35Å; F19-I114 HydrophobicContact CD1-CG2 4.32Å; F19-I114 HydrophobicContact CE1-CB 4.32Å; F19-I114 HydrophobicContact CE1-CG2 4.05Å
20	T	91.5	Very high	80.4	Confident	44 Å²	44	74.2 Å²	74.2	27%	0.27	40%	0.404	S	S	.	.	S	Bend	trans	-107.2	159.4	174.6	69.6	0	0	0	0	110.5	D17 E22 N23 F26	D17-T20 HydrophobicContact CB-CG2 4.4Å; D17-T20 PolarHBondContact O-N 3.19Å; D17-T20 PolarHBondContact O-OG1 2.9Å; T20-E22 PolarHBondContact O-N 3.37Å; T20-E22 PolarHBondContact OG1-N 2.85Å; T20-N23 PolarHBondContact O-N 2.79Å; T20-N23 VanDerWaalsContact O-N 3.08Å; T20-F26 WeakPolarHBondContact O-CD1 3.1Å
21	L	89.6	Confident	82.5	Confident	133 Å²	133	70.8 Å²	70.8	70%	0.696	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-12	175.6	-65.8	174.8	0	0	0	112.9	N23 C27 L30	L21-N23 VanDerWaalsContact C-N 3.29Å; L21-C27 VanDerWaalsContact CA-SG 3.58Å; L21-C27 PolarHBondContact O-SG 2.96Å; L21-L30 HydrophobicContact CD2-CD1 3.81Å
22	E	89.4	Confident	84.6	Confident	140 Å²	140	65.6 Å²	65.6	65%	0.654	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-25.2	173.5	-56.6	-175.4	173.2	0	0	111.6	T20 P24	T20-E22 PolarHBondContact O-N 3.37Å; T20-E22 PolarHBondContact OG1-N 2.85Å; E22-P24 VanDerWaalsContact O-CD 3.27Å; E22-P24 WeakPolarHBondContact O-CD 3.17Å
23	N	89.8	Confident	86.6	Confident	3 Å²	3	57.8 Å²	57.8	2%	0.016	32%	0.324	C	S	.	.			trans	-79.2	113.3	175.5	-175.8	-6.8	0	0	0	110.8	T13 M18 T20 L21 V25 F26 C27	T13-N23 HydrophobicContact CG2-CB 4.34Å; M18-N23 PolarHBondContact O-ND2 3.33Å; T20-N23 PolarHBondContact O-N 2.79Å; T20-N23 VanDerWaalsContact O-N 3.08Å; L21-N23 VanDerWaalsContact C-N 3.29Å; N23-V25 PolarHBondContact O-N 2.8Å; N23-V25 VanDerWaalsContact OD1-CB 3.28Å; N23-V25 WeakPolarHBondContact OD1-CB 3.26Å; N23-V25 WeakPolarHBondContact OD1-CG2 3.37Å; N23-V25 PolarHBondContact OD1-N 2.82Å; N23-F26 HydrophobicContact CB-CB 4.04Å; N23-F26 PolarHBondContact O-N 3.26Å; N23-F26 VanDerWaalsContact O-N 3.13Å; N23-C27 PolarHBondContact O-N 2.98Å
24	P	92.4	Very high	88.4	Confident	76 Å²	76	60.1 Å²	60.1	49%	0.494	34%	0.339	S	S	.	.	H	α-helix	trans	-62.4	-29.4	179.9	26.1	-35.1	0	0	0	112.7	E22 C28 A120	E22-P24 VanDerWaalsContact O-CD 3.27Å; E22-P24 WeakPolarHBondContact O-CD 3.17Å; P24-C28 WeakPolarHBondContact O-CB 3.38Å; P24-C28 PolarHBondContact O-N 3.41Å; P24-A120 HydrophobicContact CG-CB 4.09Å
25	V	93.9	Very high	90	Very high	1 Å²	1	59.1 Å²	59.1	1%	0.006	33%	0.33	C	S	.	.	H	α-helix	trans	-64	-48.1	176.2	-174.9	0	0	0	0	110.2	N23 C28 Y29 I114 P118 A120 A123 F127	N23-V25 PolarHBondContact O-N 2.8Å; N23-V25 VanDerWaalsContact OD1-CB 3.28Å; N23-V25 WeakPolarHBondContact OD1-CB 3.26Å; N23-V25 WeakPolarHBondContact OD1-CG2 3.37Å; N23-V25 PolarHBondContact OD1-N 2.82Å; V25-C28 PolarHBondContact O-N 3.39Å; V25-Y29 WeakPolarHBondContact O-CB 3.22Å; V25-Y29 PolarHBondContact O-N 3.12Å; V25-I114 HydrophobicContact CG1-CG1 3.81Å; V25-P118 HydrophobicContact CG1-CG 4.32Å; V25-A120 HydrophobicContact CG2-CB 3.96Å; V25-A123 HydrophobicContact CG1-CB 3.67Å; V25-A123 HydrophobicContact CG2-CB 4.3Å; V25-F127 HydrophobicContact CG1-CE2 3.77Å; V25-F127 HydrophobicContact CG1-CZ 4.24Å
26	F	94.3	Very high	91.5	Very high	30 Å²	30	54 Å²	54	13%	0.132	30%	0.297	C	S	.	.	H	α-helix	trans	-66.7	-42.8	-178.7	-175.4	-119.6	0	0	0	111.2	F19 T20 N23 C28 Y29 L30 I114	F19-F26 HydrophobicContact CB-CE1 4.45Å; F19-F26 HydrophobicContact CB-CE2 4.39Å; F19-F26 HydrophobicContact CB-CZ 4.28Å; F19-F26 AromaticContact CD1-CD2 3.89Å; F19-F26 HydrophobicContact CD1-CD2 3.89Å; F19-F26 AromaticContact CD1-CE2 3.8Å; F19-F26 HydrophobicContact CD1-CE2 3.8Å; F19-F26 HydrophobicContact CD1-CZ 4.48Å; F19-F26 VanDerWaalsContact O-CE1 3.28Å; F19-F26 WeakPolarHBondContact O-CE1 3.23Å; T20-F26 WeakPolarHBondContact O-CD1 3.1Å; N23-F26 HydrophobicContact CB-CB 4.04Å; N23-F26 PolarHBondContact O-N 3.26Å; N23-F26 VanDerWaalsContact O-N 3.13Å; F26-C28 VanDerWaalsContact C-N 3.33Å; F26-C28 PolarHBondContact O-N 2.94Å; F26-Y29 HydrophobicContact CD2-CD1 4.16Å; F26-Y29 HydrophobicContact CE2-CD1 4.18Å; F26-Y29 WeakPolarHBondContact O-CB 3.2Å; F26-Y29 PolarHBondContact O-N 3.35Å; F26-L30 HydrophobicContact CD1-CD1 3.86Å; F26-L30 HydrophobicContact CD1-CG 4.27Å; F26-L30 HydrophobicContact CD2-CG 4.45Å; F26-L30 HydrophobicContact CE1-CD1 3.54Å; F26-L30 HydrophobicContact CE1-CD2 4.31Å; F26-L30 HydrophobicContact CE1-CG 4.02Å; F26-L30 HydrophobicContact CE2-CD2 4.1Å; F26-L30 HydrophobicContact CE2-CG 4.17Å; F26-L30 HydrophobicContact CZ-CD1 3.94Å; F26-L30 HydrophobicContact CZ-CD2 3.82Å; F26-L30 HydrophobicContact CZ-CG 3.95Å; F26-L30 WeakPolarHBondContact O-CG 3.16Å; F26-L30 PolarHBondContact O-N 2.96Å; F26-I114 HydrophobicContact CD2-CD1 4.27Å
27	C	93.8	Very high	92.6	Very high	46 Å²	46	54 Å²	54	31%	0.311	28%	0.284	S	S	.	.	H	α-helix	trans	-57.4	-43.8	172.5	-81.6	0	0	0	0	112.7	L21 N23 L30 F31	L21-C27 VanDerWaalsContact CA-SG 3.58Å; L21-C27 PolarHBondContact O-SG 2.96Å; N23-C27 PolarHBondContact O-N 2.98Å; C27-L30 PolarHBondContact O-N 2.99Å; C27-F31 PolarHBondContact O-N 3.28Å; C27-F31 VanDerWaalsContact O-N 3.16Å
28	C	94.1	Very high	93.4	Very high	16 Å²	16	55 Å²	55	11%	0.108	29%	0.291	C	S	.	.	H	α-helix	trans	-64.6	-43.8	176.8	-163.5	0	0	0	0	111.4	P24 V25 F26 F31 W32 C124 F127	P24-C28 WeakPolarHBondContact O-CB 3.38Å; P24-C28 PolarHBondContact O-N 3.41Å; V25-C28 PolarHBondContact O-N 3.39Å; F26-C28 VanDerWaalsContact C-N 3.33Å; F26-C28 PolarHBondContact O-N 2.94Å; C28-F31 PolarHBondContact O-N 2.93Å; C28-W32 PolarHBondContact O-N 2.67Å; C28-W32 VanDerWaalsContact O-N 3.15Å; C28-W32 VanDerWaalsContact SG-CD1 3.55Å; C28-C124 HydrophobicContact CB-CB 4.29Å; C28-C124 WeakPolarHBondContact CB-SG 3.3Å; C28-C124 VanDerWaalsContact SG-SG 3.65Å; C28-F127 HydrophobicContact CB-CD2 4.38Å
29	Y	95.6	Very high	93.8	Very high	18 Å²	18	54.2 Å²	54.2	7%	0.071	29%	0.287	C	S	.	.	H	α-helix	trans	-58.1	-48.1	174.3	167.8	-102.7	0	0	0	112	V25 F26 F31 W32 S33 F107 S110 L111 I114	V25-Y29 WeakPolarHBondContact O-CB 3.22Å; V25-Y29 PolarHBondContact O-N 3.12Å; F26-Y29 HydrophobicContact CD2-CD1 4.16Å; F26-Y29 HydrophobicContact CE2-CD1 4.18Å; F26-Y29 WeakPolarHBondContact O-CB 3.2Å; F26-Y29 PolarHBondContact O-N 3.35Å; Y29-F31 PolarHBondContact O-N 3.26Å; Y29-W32 PolarHBondContact O-N 3.16Å; Y29-S33 WeakPolarHBondContact O-CB 3.42Å; Y29-S33 PolarHBondContact O-N 3.08Å; Y29-S33 PolarHBondContact O-OG 3.49Å; Y29-F107 HydrophobicContact CE2-CD1 4.48Å; Y29-S110 WeakPolarHBondContact CE2-OG 3.16Å; Y29-L111 HydrophobicContact CD1-CD2 4.19Å; Y29-L111 HydrophobicContact CE1-CD2 3.42Å; Y29-L111 VanDerWaalsContact CE1-CD2 3.42Å; Y29-L111 HydrophobicContact CE1-CG 4.01Å; Y29-L111 WeakPolarHBondContact OH-CG 3.5Å; Y29-I114 HydrophobicContact CD1-CD1 3.84Å; Y29-I114 HydrophobicContact CD2-CD1 4.16Å; Y29-I114 HydrophobicContact CG-CD1 3.56Å
30	L	95.8	Very high	93.9	Very high	58 Å²	58	50.3 Å²	50.3	30%	0.304	27%	0.271	S	S	.	.	H	α-helix	trans	-58.6	-45.1	-179.2	-75.3	177.9	0	0	0	112.5	L21 F26 C27 S33 T34	L21-L30 HydrophobicContact CD2-CD1 3.81Å; F26-L30 HydrophobicContact CD1-CD1 3.86Å; F26-L30 HydrophobicContact CD1-CG 4.27Å; F26-L30 HydrophobicContact CD2-CG 4.45Å; F26-L30 HydrophobicContact CE1-CD1 3.54Å; F26-L30 HydrophobicContact CE1-CD2 4.31Å; F26-L30 HydrophobicContact CE1-CG 4.02Å; F26-L30 HydrophobicContact CE2-CD2 4.1Å; F26-L30 HydrophobicContact CE2-CG 4.17Å; F26-L30 HydrophobicContact CZ-CD1 3.94Å; F26-L30 HydrophobicContact CZ-CD2 3.82Å; F26-L30 HydrophobicContact CZ-CG 3.95Å; F26-L30 WeakPolarHBondContact O-CG 3.16Å; F26-L30 PolarHBondContact O-N 2.96Å; C27-L30 PolarHBondContact O-N 2.99Å; L30-S33 WeakPolarHBondContact CA-OG 3.39Å; L30-S33 PolarHBondContact O-OG 3.46Å; L30-S33 VanDerWaalsContact O-OG 3.07Å; L30-T34 VanDerWaalsContact O-CB 3.32Å; L30-T34 WeakPolarHBondContact O-CB 3.4Å; L30-T34 PolarHBondContact O-N 3.1Å; L30-T34 PolarHBondContact O-OG1 2.86Å
31	F	96.4	Very high	94	Very high	128 Å²	128	53.1 Å²	53.1	56%	0.561	28%	0.284	S	S	*	.	H	α-helix	trans	-63.2	-51.4	179	179.8	-99.1	0	0	0	111.2	C27 C28 Y29 T34 V35	C27-F31 PolarHBondContact O-N 3.28Å; C27-F31 VanDerWaalsContact O-N 3.16Å; C28-F31 PolarHBondContact O-N 2.93Å; Y29-F31 PolarHBondContact O-N 3.26Å; F31-T34 WeakPolarHBondContact O-CB 3.38Å; F31-T34 PolarHBondContact O-N 3.13Å; F31-V35 HydrophobicContact CD1-CG2 4.49Å; F31-V35 HydrophobicContact CE1-CG2 4.13Å; F31-V35 HydrophobicContact CZ-CG2 4.25Å; F31-V35 WeakPolarHBondContact O-CG2 3.38Å; F31-V35 PolarHBondContact O-N 3.39Å
32	W	96.1	Very high	94.1	Very high	44 Å²	44	51.4 Å²	51.4	17%	0.167	28%	0.275	C	S	.	.	H	α-helix	trans	-71.1	-32.7	-177.2	-76.2	111.5	0	0	0	113.3	C28 Y29 V35 L36 F127 R128 S131 V132	C28-W32 PolarHBondContact O-N 2.67Å; C28-W32 VanDerWaalsContact O-N 3.15Å; C28-W32 VanDerWaalsContact SG-CD1 3.55Å; Y29-W32 PolarHBondContact O-N 3.16Å; W32-V35 HydrophobicContact CE3-CB 4.46Å; W32-V35 HydrophobicContact CE3-CG1 4.47Å; W32-V35 PolarHBondContact O-N 2.7Å; W32-L36 WeakPolarHBondContact O-CG 3.42Å; W32-L36 PolarHBondContact O-N 3.34Å; W32-F127 HydrophobicContact CB-CB 4.48Å; W32-R128 HydrophobicContact CZ2-CB 4.13Å; W32-R128 HydrophobicContact CZ2-CG 3.61Å; W32-S131 WeakPolarHBondContact CB-OG 3.27Å; W32-V132 HydrophobicContact CH2-CG2 4.01Å; W32-V132 HydrophobicContact CZ3-CG2 4.2Å
33	S	95.2	Very high	93.9	Very high	14 Å²	14	45 Å²	45	10%	0.098	25%	0.245	C	C	.	.	H	α-helix	trans	-65.9	-42.6	173.1	71.9	0	0	0	0	110.8	Y29 L30 V35 L36 V37	Y29-S33 WeakPolarHBondContact O-CB 3.42Å; Y29-S33 PolarHBondContact O-N 3.08Å; Y29-S33 PolarHBondContact O-OG 3.49Å; L30-S33 WeakPolarHBondContact CA-OG 3.39Å; L30-S33 PolarHBondContact O-OG 3.46Å; L30-S33 VanDerWaalsContact O-OG 3.07Å; S33-V35 VanDerWaalsContact C-N 3.35Å; S33-V35 PolarHBondContact O-N 2.79Å; S33-L36 PolarHBondContact O-N 3.01Å; S33-L36 VanDerWaalsContact O-N 3.16Å; S33-V37 WeakPolarHBondContact O-CG2 3.21Å; S33-V37 PolarHBondContact O-N 3.27Å
34	T	96.5	Very high	93.8	Very high	82 Å²	82	47.3 Å²	47.3	50%	0.503	26%	0.261	S	S	.	.	H	α-helix	trans	-58.1	-46.7	173.7	-58.5	0	0	0	0	111.2	L30 F31 L36 V37 V38	L30-T34 VanDerWaalsContact O-CB 3.32Å; L30-T34 WeakPolarHBondContact O-CB 3.4Å; L30-T34 PolarHBondContact O-N 3.1Å; L30-T34 PolarHBondContact O-OG1 2.86Å; F31-T34 WeakPolarHBondContact O-CB 3.38Å; F31-T34 PolarHBondContact O-N 3.13Å; T34-L36 VanDerWaalsContact C-N 3.33Å; T34-L36 PolarHBondContact O-N 3.31Å; T34-V37 PolarHBondContact O-N 2.83Å; T34-V38 HydrophobicContact CG2-CG2 4.44Å; T34-V38 WeakPolarHBondContact O-CB 3.31Å; T34-V38 VanDerWaalsContact O-CG2 3.32Å; T34-V38 WeakPolarHBondContact O-CG2 3.31Å; T34-V38 PolarHBondContact O-N 3.27Å
35	V	96.4	Very high	93.6	Very high	43 Å²	43	48.6 Å²	48.6	26%	0.261	26%	0.263	S	S	.	.	H	α-helix	trans	-58.6	-44.6	176.1	171.5	0	0	0	0	111.4	F31 W32 S33 K39 I135	F31-V35 HydrophobicContact CD1-CG2 4.49Å; F31-V35 HydrophobicContact CE1-CG2 4.13Å; F31-V35 HydrophobicContact CZ-CG2 4.25Å; F31-V35 WeakPolarHBondContact O-CG2 3.38Å; F31-V35 PolarHBondContact O-N 3.39Å; W32-V35 HydrophobicContact CE3-CB 4.46Å; W32-V35 HydrophobicContact CE3-CG1 4.47Å; W32-V35 PolarHBondContact O-N 2.7Å; S33-V35 VanDerWaalsContact C-N 3.35Å; S33-V35 PolarHBondContact O-N 2.79Å; V35-K39 VanDerWaalsContact O-CB 3.3Å; V35-K39 WeakPolarHBondContact O-CB 3.41Å; V35-K39 PolarHBondContact O-N 3.45Å; V35-I135 HydrophobicContact CG1-CD1 3.96Å
36	L	94.8	Very high	93.1	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-66.8	-39.9	178.9	-76.7	175.8	0	0	0	112.9	W32 S33 T34 K39 M40 I103 Y106 F107 R134 M158	W32-L36 WeakPolarHBondContact O-CG 3.42Å; W32-L36 PolarHBondContact O-N 3.34Å; S33-L36 PolarHBondContact O-N 3.01Å; S33-L36 VanDerWaalsContact O-N 3.16Å; T34-L36 VanDerWaalsContact C-N 3.33Å; T34-L36 PolarHBondContact O-N 3.31Å; L36-K39 HydrophobicContact CD2-CD 4.32Å; L36-K39 WeakPolarHBondContact O-CB 3.33Å; L36-K39 PolarHBondContact O-N 2.97Å; L36-M40 WeakPolarHBondContact O-CG 3.46Å; L36-M40 PolarHBondContact O-N 3.39Å; L36-I103 HydrophobicContact CB-CG2 4.32Å; L36-I103 HydrophobicContact CD1-CG2 4.32Å; L36-I103 HydrophobicContact CD2-CD1 4.16Å; L36-Y106 HydrophobicContact CD1-CD1 4.05Å; L36-Y106 HydrophobicContact CD1-CE1 3.66Å; L36-F107 HydrophobicContact CB-CE1 3.92Å; L36-F107 HydrophobicContact CB-CZ 3.73Å; L36-F107 HydrophobicContact CD1-CE1 3.96Å; L36-F107 HydrophobicContact CD1-CZ 4.49Å; L36-R134 HydrophobicContact CD2-CB 3.86Å; L36-R134 HydrophobicContact CD2-CG 4.37Å; L36-M158 HydrophobicContact CD1-CE 4.12Å
37	V	95.5	Very high	92.5	Very high	63 Å²	63	51.1 Å²	51.1	38%	0.382	28%	0.278	S	S	.	.	H	α-helix	trans	-63	-50.6	175.5	170.1	0	0	0	0	110.2	S33 T34 K39 M40 L41 F107	S33-V37 WeakPolarHBondContact O-CG2 3.21Å; S33-V37 PolarHBondContact O-N 3.27Å; T34-V37 PolarHBondContact O-N 2.83Å; V37-K39 VanDerWaalsContact C-N 3.29Å; V37-K39 PolarHBondContact O-N 3.34Å; V37-M40 PolarHBondContact O-N 3.5Å; V37-L41 HydrophobicContact CG1-CD1 4.18Å; V37-L41 WeakPolarHBondContact O-CG 3.28Å; V37-L41 PolarHBondContact O-N 3.39Å; V37-F107 HydrophobicContact CG2-CE2 3.91Å; V37-F107 HydrophobicContact CG2-CZ 3.74Å
38	V	95.8	Very high	91.8	Very high	75 Å²	75	50.6 Å²	50.6	46%	0.455	28%	0.278	S	S	.	.	H	α-helix	trans	-56.9	-45.6	176.9	171.5	0	0	0	0	110.2	T34 M40 L41 L42	T34-V38 HydrophobicContact CG2-CG2 4.44Å; T34-V38 WeakPolarHBondContact O-CB 3.31Å; T34-V38 VanDerWaalsContact O-CG2 3.32Å; T34-V38 WeakPolarHBondContact O-CG2 3.31Å; T34-V38 PolarHBondContact O-N 3.27Å; V38-M40 PolarHBondContact O-N 3.25Å; V38-L41 PolarHBondContact O-N 3.44Å; V38-L42 HydrophobicContact CG1-CD1 4.07Å; V38-L42 HydrophobicContact CG1-CG 4.32Å; V38-L42 VanDerWaalsContact O-CG 3.31Å; V38-L42 WeakPolarHBondContact O-CG 3.47Å; V38-L42 PolarHBondContact O-N 3.38Å
39	K	93.2	Very high	91.1	Very high	18 Å²	18	52.6 Å²	52.6	8%	0.078	29%	0.289	C	S	.	.	H	α-helix	trans	-58.1	-44.1	174.8	180	-153	71.8	74.8	0	112.4	V35 L36 V37 L41 L42 M43 D99 I135 T138	V35-K39 VanDerWaalsContact O-CB 3.3Å; V35-K39 WeakPolarHBondContact O-CB 3.41Å; V35-K39 PolarHBondContact O-N 3.45Å; L36-K39 HydrophobicContact CD2-CD 4.32Å; L36-K39 WeakPolarHBondContact O-CB 3.33Å; L36-K39 PolarHBondContact O-N 2.97Å; V37-K39 VanDerWaalsContact C-N 3.29Å; V37-K39 PolarHBondContact O-N 3.34Å; K39-L41 VanDerWaalsContact C-N 3.35Å; K39-L42 PolarHBondContact O-N 2.98Å; K39-M43 WeakPolarHBondContact O-CG 3.39Å; K39-M43 PolarHBondContact O-N 2.97Å; K39-D99 IonicContact NZ-OD1 3.78Å; K39-D99 PolarHBondContact NZ-OD1 3.26Å; K39-D99 IonicContact NZ-OD2 3.47Å; K39-D99 PolarHBondContact NZ-OD2 3.08Å; K39-I135 HydrophobicContact CD-CG1 3.99Å; K39-T138 HydrophobicContact CD-CG2 4.02Å; K39-T138 HydrophobicContact CG-CG2 4.41Å
40	M	92.8	Very high	90	Very high	24 Å²	24	53.7 Å²	53.7	12%	0.118	30%	0.295	C	S	.	.	H	α-helix	trans	-63	-41.4	177.6	-75.1	-178.3	70.9	0	0	111.6	L36 V37 V38 M43 S44 H96 D99 M100 I103 F107	L36-M40 WeakPolarHBondContact O-CG 3.46Å; L36-M40 PolarHBondContact O-N 3.39Å; V37-M40 PolarHBondContact O-N 3.5Å; V38-M40 PolarHBondContact O-N 3.25Å; M40-M43 WeakPolarHBondContact O-CB 3.47Å; M40-M43 PolarHBondContact O-N 3.08Å; M40-S44 PolarHBondContact O-N 3.26Å; M40-H96 PolarHBondContact O-CE1 3.35Å; M40-H96 PolarHBondContact O-ND1 2.79Å; M40-D99 HydrophobicContact CG-CB 4.41Å; M40-M100 HydrophobicContact CE-CB 4.36Å; M40-M100 HydrophobicContact CE-CG 3.68Å; M40-I103 HydrophobicContact CG-CD1 3.81Å; M40-I103 HydrophobicContact SD-CB 3.81Å; M40-I103 HydrophobicContact SD-CD1 3.85Å; M40-I103 HydrophobicContact SD-CG1 4.43Å; M40-I103 HydrophobicContact SD-CG2 3.58Å; M40-I103 VanDerWaalsContact SD-CG2 3.58Å; M40-F107 HydrophobicContact SD-CE2 4.43Å
41	L	93	Very high	88.9	Confident	104 Å²	104	55 Å²	55	55%	0.545	30%	0.296	S	S	.	.	H	α-helix	trans	-66	-40.1	174.6	-65.4	175.2	0	0	0	111.9	V37 V38 K39 M43 S44 L45	V37-L41 HydrophobicContact CG1-CD1 4.18Å; V37-L41 WeakPolarHBondContact O-CG 3.28Å; V37-L41 PolarHBondContact O-N 3.39Å; V38-L41 PolarHBondContact O-N 3.44Å; K39-L41 VanDerWaalsContact C-N 3.35Å; L41-M43 PolarHBondContact O-N 2.81Å; L41-S44 PolarHBondContact O-N 3.28Å; L41-S44 VanDerWaalsContact O-N 3.16Å; L41-S44 PolarHBondContact O-OG 3.36Å; L41-L45 WeakPolarHBondContact O-CG 3.19Å; L41-L45 PolarHBondContact O-N 3.35Å; L41-L45 VanDerWaalsContact O-N 3.08Å
42	L	91	Very high	87.5	Confident	97 Å²	97	52.3 Å²	52.3	51%	0.508	28%	0.284	S	S	.	.	H	α-helix	trans	-60.5	-35.4	173.6	-71	174.1	0	0	0	111.6	V38 K39 L45 L46	V38-L42 HydrophobicContact CG1-CD1 4.07Å; V38-L42 HydrophobicContact CG1-CG 4.32Å; V38-L42 VanDerWaalsContact O-CG 3.31Å; V38-L42 WeakPolarHBondContact O-CG 3.47Å; V38-L42 PolarHBondContact O-N 3.38Å; K39-L42 PolarHBondContact O-N 2.98Å; L42-L45 HydrophobicContact CD2-CD1 4.39Å; L42-L45 PolarHBondContact O-N 2.91Å; L42-L46 WeakPolarHBondContact O-CB 3.1Å; L42-L46 VanDerWaalsContact O-CG 3.28Å; L42-L46 WeakPolarHBondContact O-CG 3.26Å; L42-L46 PolarHBondContact O-N 3.41Å
43	M	86.4	Confident	86	Confident	5 Å²	5	57 Å²	57	3%	0.025	30%	0.302	C	S	.	.	H	α-helix	trans	-67.2	-34.4	176	-74	-66.5	-66.1	0	0	113.4	K39 M40 L41 L46 T47 V92 A95 H96 T138 A142	K39-M43 WeakPolarHBondContact O-CG 3.39Å; K39-M43 PolarHBondContact O-N 2.97Å; M40-M43 WeakPolarHBondContact O-CB 3.47Å; M40-M43 PolarHBondContact O-N 3.08Å; L41-M43 PolarHBondContact O-N 2.81Å; M43-L46 PolarHBondContact O-N 2.86Å; M43-L46 HydrophobicContact SD-CD1 3.81Å; M43-T47 PolarHBondContact O-N 3.42Å; M43-T47 VanDerWaalsContact O-N 3.14Å; M43-T47 PolarHBondContact O-OG1 3.48Å; M43-V92 HydrophobicContact CE-CG1 3.87Å; M43-A95 HydrophobicContact CE-CB 3.52Å; M43-H96 HydrophobicContact CB-CB 4.35Å; M43-H96 VanDerWaalsContact CB-ND1 3.27Å; M43-H96 WeakPolarHBondContact CB-ND1 3.35Å; M43-H96 HydrophobicContact CE-CB 4.4Å; M43-T138 HydrophobicContact CE-CG2 4.44Å; M43-T138 HydrophobicContact CG-CG2 4.16Å; M43-T138 HydrophobicContact SD-CG2 4.05Å; M43-A142 HydrophobicContact CE-CB 3.95Å; M43-A142 HydrophobicContact SD-CB 4.29Å
44	S	87.3	Confident	84.1	Confident	51 Å²	51	57.3 Å²	57.3	36%	0.357	30%	0.301	S	S	.	.	H	α-helix	trans	-68.4	-40.9	172.9	70.7	0	0	0	0	110.9	M40 L41 T47 A48	M40-S44 PolarHBondContact O-N 3.26Å; L41-S44 PolarHBondContact O-N 3.28Å; L41-S44 VanDerWaalsContact O-N 3.16Å; L41-S44 PolarHBondContact O-OG 3.36Å; S44-T47 WeakPolarHBondContact O-CB 3.46Å; S44-T47 PolarHBondContact O-N 2.64Å; S44-A48 PolarHBondContact O-N 3.13Å; S44-A48 VanDerWaalsContact O-N 3.12Å
45	L	87	Confident	81.9	Confident	103 Å²	103	57.8 Å²	57.8	54%	0.539	30%	0.296	S	S	.	.	H	α-helix	trans	-63.3	-40.9	173	-65	177.8	0	0	0	112.5	L41 L42 T47 A48 V49	L41-L45 WeakPolarHBondContact O-CG 3.19Å; L41-L45 PolarHBondContact O-N 3.35Å; L41-L45 VanDerWaalsContact O-N 3.08Å; L42-L45 HydrophobicContact CD2-CD1 4.39Å; L42-L45 PolarHBondContact O-N 2.91Å; L45-T47 VanDerWaalsContact C-N 3.25Å; L45-T47 PolarHBondContact O-N 3.06Å; L45-A48 WeakPolarHBondContact O-CB 3.37Å; L45-A48 PolarHBondContact O-N 2.86Å; L45-A48 VanDerWaalsContact O-N 3.1Å; L45-V49 WeakPolarHBondContact O-CG2 3.43Å; L45-V49 PolarHBondContact O-N 3.35Å
46	L	83.4	Confident	79.7	Confident	70 Å²	70	61.8 Å²	61.8	37%	0.366	32%	0.315	S	S	.	.	H	α-helix	trans	-60.4	-37	175.3	-76.5	174.5	0	0	0	111.7	L42 M43 V49 Q50 V92	L42-L46 WeakPolarHBondContact O-CB 3.1Å; L42-L46 VanDerWaalsContact O-CG 3.28Å; L42-L46 WeakPolarHBondContact O-CG 3.26Å; L42-L46 PolarHBondContact O-N 3.41Å; M43-L46 PolarHBondContact O-N 2.86Å; M43-L46 HydrophobicContact SD-CD1 3.81Å; L46-V49 PolarHBondContact O-N 3.15Å; L46-Q50 WeakPolarHBondContact O-CB 3.48Å; L46-Q50 VanDerWaalsContact O-CG 3.32Å; L46-Q50 WeakPolarHBondContact O-CG 3.41Å; L46-Q50 PolarHBondContact O-N 3.33Å; L46-V92 HydrophobicContact CB-CG1 4.21Å
47	T	81.9	Confident	77.5	Confident	14 Å²	14	64.7 Å²	64.7	9%	0.086	33%	0.33	C	S	.	.	H	α-helix	trans	-64.1	-44.2	174.1	-52.5	0	0	0	0	110.8	M43 S44 L45 Q50 R51 V89 V92	M43-T47 PolarHBondContact O-N 3.42Å; M43-T47 VanDerWaalsContact O-N 3.14Å; M43-T47 PolarHBondContact O-OG1 3.48Å; S44-T47 WeakPolarHBondContact O-CB 3.46Å; S44-T47 PolarHBondContact O-N 2.64Å; L45-T47 VanDerWaalsContact C-N 3.25Å; L45-T47 PolarHBondContact O-N 3.06Å; T47-Q50 PolarHBondContact O-N 2.82Å; T47-R51 WeakPolarHBondContact O-CG 3.28Å; T47-R51 PolarHBondContact O-N 3.44Å; T47-R51 VanDerWaalsContact O-N 3.07Å; T47-V89 HydrophobicContact CG2-CG1 4.4Å; T47-V92 VanDerWaalsContact OG1-CG1 3.3Å; T47-V92 WeakPolarHBondContact OG1-CG1 3.2Å
48	A	79.7	Confident	75.5	Confident	36 Å²	36	64.7 Å²	64.7	30%	0.298	34%	0.337	S	S	.	.	H	α-helix	trans	-62.1	-47	175.9	0	0	0	0	0	111.4	S44 L45 Q50 R51 F52	S44-A48 PolarHBondContact O-N 3.13Å; S44-A48 VanDerWaalsContact O-N 3.12Å; L45-A48 WeakPolarHBondContact O-CB 3.37Å; L45-A48 PolarHBondContact O-N 2.86Å; L45-A48 VanDerWaalsContact O-N 3.1Å; A48-Q50 VanDerWaalsContact C-N 3.28Å; A48-Q50 PolarHBondContact O-N 3.04Å; A48-R51 WeakPolarHBondContact O-CB 3.43Å; A48-R51 PolarHBondContact O-N 3.08Å; A48-R51 VanDerWaalsContact O-N 3.13Å; A48-F52 HydrophobicContact CB-CD2 4.48Å; A48-F52 HydrophobicContact CB-CE2 4.49Å; A48-F52 WeakPolarHBondContact O-CD2 3.28Å; A48-F52 PolarHBondContact O-N 2.94Å
49	V	78.8	Confident	73.6	Confident	58 Å²	58	69.1 Å²	69.1	35%	0.352	36%	0.356	S	S	.	.	H	α-helix	trans	-57.3	-42.9	176.1	170.8	0	0	0	0	110.8	L45 L46 R51 F52 R53	L45-V49 WeakPolarHBondContact O-CG2 3.43Å; L45-V49 PolarHBondContact O-N 3.35Å; L46-V49 PolarHBondContact O-N 3.15Å; V49-R51 PolarHBondContact O-N 3.22Å; V49-F52 CarbonylContact O-C 3.35Å; V49-F52 PolarHBondContact O-N 3.21Å; V49-R53 HydrophobicContact CG1-CG 4.25Å; V49-R53 WeakPolarHBondContact O-CG 3.27Å; V49-R53 PolarHBondContact O-N 3.25Å
50	Q	73.5	Confident	71.4	Confident	41 Å²	41	70.4 Å²	70.4	19%	0.192	37%	0.366	C	S	.	.	H	α-helix	trans	-64.2	-36.5	177.9	-76.1	-176.4	-6.6	0	0	113.6	L46 T47 A48 H88 V89 V92	L46-Q50 WeakPolarHBondContact O-CB 3.48Å; L46-Q50 VanDerWaalsContact O-CG 3.32Å; L46-Q50 WeakPolarHBondContact O-CG 3.41Å; L46-Q50 PolarHBondContact O-N 3.33Å; T47-Q50 PolarHBondContact O-N 2.82Å; A48-Q50 VanDerWaalsContact C-N 3.28Å; A48-Q50 PolarHBondContact O-N 3.04Å; Q50-H88 PolarHBondContact OE1-O 3.21Å; Q50-V89 HydrophobicContact CB-CG2 3.94Å; Q50-V92 VanDerWaalsContact OE1-CB 3.31Å
51	R	72.2	Confident	69.5	Low	86 Å²	86	73.5 Å²	73.5	33%	0.325	39%	0.388	S	S	.	.	H	α-helix	trans	-65.8	-45.2	172.4	-67.2	172.6	-177.2	-160.3	-1.4	111.6	T47 A48 V49 R53 V89	T47-R51 WeakPolarHBondContact O-CG 3.28Å; T47-R51 PolarHBondContact O-N 3.44Å; T47-R51 VanDerWaalsContact O-N 3.07Å; A48-R51 WeakPolarHBondContact O-CB 3.43Å; A48-R51 PolarHBondContact O-N 3.08Å; A48-R51 VanDerWaalsContact O-N 3.13Å; V49-R51 PolarHBondContact O-N 3.22Å; R51-R53 PolarHBondContact O-N 3.48Å; R51-V89 HydrophobicContact CG-CG1 4.08Å; R51-V89 HydrophobicContact CG-CG2 4.37Å
52	F	67.4	Low	67.6	Low	71 Å²	71	74.5 Å²	74.5	31%	0.311	39%	0.393	S	S	.	.	H	α-helix	trans	-88.1	6.6	-176.6	-63.4	-65.9	0	0	0	114.7	A48 V49 Y54 K55 L56 F69	A48-F52 HydrophobicContact CB-CD2 4.48Å; A48-F52 HydrophobicContact CB-CE2 4.49Å; A48-F52 WeakPolarHBondContact O-CD2 3.28Å; A48-F52 PolarHBondContact O-N 2.94Å; V49-F52 CarbonylContact O-C 3.35Å; V49-F52 PolarHBondContact O-N 3.21Å; F52-Y54 PolarHBondContact O-N 2.83Å; F52-K55 HydrophobicContact CD1-CD 4.12Å; F52-K55 WeakPolarHBondContact O-CA 3.3Å; F52-K55 WeakPolarHBondContact O-CB 3.26Å; F52-K55 PolarHBondContact O-N 3.44Å; F52-L56 PolarHBondContact O-N 3.08Å; F52-F69 HydrophobicContact CD1-CE1 4.34Å; F52-F69 AromaticContact CE1-CE1 3.89Å; F52-F69 HydrophobicContact CE1-CE1 3.89Å
53	R	63.8	Low	65.9	Low	143 Å²	143	75 Å²	75	54%	0.54	41%	0.41	S	S	.	.	H	α-helix	trans	-57.2	-26.7	-176.7	-86.4	-141	167.7	-171.9	-3.4	113.1	V49 R51 L57	V49-R53 HydrophobicContact CG1-CG 4.25Å; V49-R53 WeakPolarHBondContact O-CG 3.27Å; V49-R53 PolarHBondContact O-N 3.25Å; R51-R53 PolarHBondContact O-N 3.48Å; R53-L57 HydrophobicContact CB-CD1 4.28Å; R53-L57 HydrophobicContact CG-CD1 4.48Å; R53-L57 WeakPolarHBondContact O-CB 3.39Å; R53-L57 WeakPolarHBondContact O-CG 3.19Å; R53-L57 PolarHBondContact O-N 3.17Å
54	Y	55.7	Low	64.2	Low	20 Å²	20	80.6 Å²	80.6	8%	0.078	44%	0.44	C	S	.	.	H	α-helix	trans	-70.6	-32.3	174.9	90.2	-92.9	0	0	0	113.2	F52 R65 R66 F69 L80	F52-Y54 PolarHBondContact O-N 2.83Å; Y54-R65 PolarHBondContact O-NE 3.29Å; Y54-R65 PolarHBondContact O-NH2 3.42Å; Y54-R66 WeakPolarHBondContact CB-O 3.24Å; Y54-F69 HydrophobicContact CE1-CD2 4.15Å; Y54-F69 HydrophobicContact CE1-CE1 4.22Å; Y54-F69 AromaticContact CE1-CE2 3.72Å; Y54-F69 HydrophobicContact CE1-CE2 3.72Å; Y54-F69 AromaticContact CE1-CZ 3.77Å; Y54-F69 HydrophobicContact CE1-CZ 3.77Å; Y54-F69 AromaticContact CZ-CE2 3.47Å; Y54-F69 VanDerWaalsContact CZ-CE2 3.47Å; Y54-F69 AromaticContact CZ-CZ 3.61Å; Y54-F69 WeakPolarHBondContact OH-CE2 3.48Å; Y54-F69 WeakPolarHBondContact OH-CZ 3.24Å; Y54-L80 HydrophobicContact CD1-CD2 4.18Å; Y54-L80 HydrophobicContact CD2-CD2 4.06Å; Y54-L80 HydrophobicContact CE1-CD2 3.76Å; Y54-L80 HydrophobicContact CE2-CD1 4.08Å; Y54-L80 HydrophobicContact CE2-CD2 3.63Å; Y54-L80 HydrophobicContact CE2-CG 4.48Å; Y54-L80 HydrophobicContact CG-CD2 4.34Å; Y54-L80 VanDerWaalsContact CZ-CD2 3.49Å
55	K	51.4	Low	62.5	Low	91 Å²	91	82.4 Å²	82.4	40%	0.396	44%	0.439	S	S	.	.	H	α-helix	trans	-72.9	-50.7	172.4	-70.9	-168.3	-178.9	177.6	0	110.5	F52	F52-K55 HydrophobicContact CD1-CD 4.12Å; F52-K55 WeakPolarHBondContact O-CA 3.3Å; F52-K55 WeakPolarHBondContact O-CB 3.26Å; F52-K55 PolarHBondContact O-N 3.44Å
56	L	50	Low	60.8	Low	127 Å²	127	83.1 Å²	83.1	67%	0.665	44%	0.435	S	S	*	.	H	α-helix	trans	-70.8	-35.1	-172	-119.4	136	0	0	0	112.6	F52 A58	F52-L56 PolarHBondContact O-N 3.08Å; L56-A58 PolarHBondContact O-N 2.96Å
57	L	48.6	Very low	59.3	Low	61 Å²	61	85.5 Å²	85.5	32%	0.319	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	47.1	177.4	-60.5	176.8	0	0	0	111.9	R53 I59 V60	R53-L57 HydrophobicContact CB-CD1 4.28Å; R53-L57 HydrophobicContact CG-CD1 4.48Å; R53-L57 WeakPolarHBondContact O-CB 3.39Å; R53-L57 WeakPolarHBondContact O-CG 3.19Å; R53-L57 PolarHBondContact O-N 3.17Å; L57-I59 PolarHBondContact O-N 3.48Å; L57-I59 VanDerWaalsContact O-N 3.12Å; L57-V60 HydrophobicContact CB-CB 3.83Å; L57-V60 HydrophobicContact CB-CG2 3.66Å; L57-V60 HydrophobicContact CD1-CB 4.49Å; L57-V60 HydrophobicContact CD1-CG2 4.02Å; L57-V60 HydrophobicContact CD2-CG2 3.74Å; L57-V60 HydrophobicContact CG-CG2 4.01Å; L57-V60 PolarHBondContact O-N 3.31Å
58	A	52.5	Low	57.9	Low	64 Å²	64	85.3 Å²	85.3	53%	0.529	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-18.3	166.7	0	0	0	0	0	113.4	L56 R65	L56-A58 PolarHBondContact O-N 2.96Å; A58-R65 VanDerWaalsContact CB-NH2 3.31Å
59	I	56	Low	56.5	Low	167 Å²	167	83.7 Å²	83.7	86%	0.856	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-17.9	176	-56.7	167.8	0	0	0	111.9	L57	L57-I59 PolarHBondContact O-N 3.48Å; L57-I59 VanDerWaalsContact O-N 3.12Å
60	V	47.8	Very low	55.2	Low	45 Å²	45	82.4 Å²	82.4	27%	0.273	42%	0.416	S	S	.	.	S	Bend	trans	-92.8	137.6	-176.2	-178.5	0	0	0	0	110.4	L57 L64	L57-V60 HydrophobicContact CB-CB 3.83Å; L57-V60 HydrophobicContact CB-CG2 3.66Å; L57-V60 HydrophobicContact CD1-CB 4.49Å; L57-V60 HydrophobicContact CD1-CG2 4.02Å; L57-V60 HydrophobicContact CD2-CG2 3.74Å; L57-V60 HydrophobicContact CG-CG2 4.01Å; L57-V60 PolarHBondContact O-N 3.31Å; V60-L64 HydrophobicContact CG1-CB 3.67Å; V60-L64 HydrophobicContact CG1-CD1 3.83Å; V60-L64 HydrophobicContact CG1-CG 4.36Å
61	P	51.2	Low	54.2	Low	90 Å²	90	83.8 Å²	83.8	58%	0.584	43%	0.425	S	S	*	.			trans	-51.1	142.9	-178.9	-27.6	33.8	0	0	0	113.2	A63 L64	P61-A63 PolarHBondContact O-N 3.02Å; P61-L64 PolarHBondContact O-N 3.47Å
62	L	54.9	Low	53.3	Low	125 Å²	125	87.1 Å²	87.1	65%	0.654	44%	0.444	S	S	*	.	G	3₁₀ helix	trans	-51.3	-31.2	-173.6	-165.7	68.5	0	0	0	113.5	L64 R65	L62-L64 PolarHBondContact O-N 3.46Å; L62-R65 HydrophobicContact CD1-CB 4.42Å; L62-R65 VanDerWaalsContact O-CB 3.31Å; L62-R65 WeakPolarHBondContact O-CB 3.46Å; L62-R65 PolarHBondContact O-N 3.49Å
63	A	54.9	Low	52.7	Low	106 Å²	106	90.4 Å²	90.4	88%	0.876	46%	0.46	S	S	*	.	G	3₁₀ helix	trans	-60.5	-24.9	178	0	0	0	0	0	114.5	P61	P61-A63 PolarHBondContact O-N 3.02Å
64	L	51	Low	52.3	Low	124 Å²	124	86.1 Å²	86.1	65%	0.649	45%	0.449	S	S	*	.	G	3₁₀ helix	trans	-98.6	-3.9	176.9	-80	142.6	0	0	0	112.7	V60 P61 L62 R66	V60-L64 HydrophobicContact CG1-CB 3.67Å; V60-L64 HydrophobicContact CG1-CD1 3.83Å; V60-L64 HydrophobicContact CG1-CG 4.36Å; P61-L64 PolarHBondContact O-N 3.47Å; L62-L64 PolarHBondContact O-N 3.46Å; L64-R66 PolarHBondContact O-N 2.71Å
65	R	50.5	Low	52.2	Low	89 Å²	89	87.1 Å²	87.1	34%	0.336	46%	0.455	S	S	.	.			trans	-89.4	89.7	-169.7	-147.8	178.3	-172.5	-179.8	-0.7	110	Y54 A58 L62	Y54-R65 PolarHBondContact O-NE 3.29Å; Y54-R65 PolarHBondContact O-NH2 3.42Å; A58-R65 VanDerWaalsContact CB-NH2 3.31Å; L62-R65 HydrophobicContact CD1-CB 4.42Å; L62-R65 VanDerWaalsContact O-CB 3.31Å; L62-R65 WeakPolarHBondContact O-CB 3.46Å; L62-R65 PolarHBondContact O-N 3.49Å
66	R	52.3	Low	52.3	Low	117 Å²	117	90.6 Å²	90.6	44%	0.442	47%	0.47	S	S	.	.			trans	-80.7	120.7	-177	-63.4	-172.3	-175.6	173	5.5	112.6	Y54 L64 I68 D86 H88	Y54-R66 WeakPolarHBondContact CB-O 3.24Å; L64-R66 PolarHBondContact O-N 2.71Å; R66-I68 HydrophobicContact CB-CD1 3.5Å; R66-I68 VanDerWaalsContact CB-CD1 3.5Å; R66-I68 HydrophobicContact CB-CG1 3.89Å; R66-I68 PolarHBondContact O-N 2.85Å; R66-I68 VanDerWaalsContact O-N 3.09Å; R66-D86 WeakPolarHBondContact CD-OD2 3.23Å; R66-D86 IonicContact CZ-OD2 3.68Å; R66-D86 IonicContact NE-OD2 3.81Å; R66-D86 IonicContact NH1-OD1 3.9Å; R66-D86 IonicContact NH1-OD2 2.75Å; R66-D86 PolarHBondContact NH1-OD2 3.2Å; R66-H88 PolarHBondContact NH1-CD2 3.3Å; R66-H88 PolarHBondContact NH1-NE2 3.4Å; R66-H88 VanDerWaalsContact NH1-NE2 3.2Å
67	R	50.2	Low	52.4	Low	120 Å²	120	90.7 Å²	90.7	45%	0.453	47%	0.466	S	S	.	.			trans	-76.7	88.8	-179.7	-66.6	-176.6	-176.4	179.8	7.7	110	N79 L80	R67-N79 PolarHBondContact NH1-O 2.94Å; R67-L80 HydrophobicContact CB-CB 4.35Å; R67-L80 HydrophobicContact CB-CD2 3.51Å; R67-L80 HydrophobicContact CB-CG 3.8Å; R67-L80 HydrophobicContact CG-CD2 3.89Å; R67-L80 HydrophobicContact CG-CG 3.88Å
68	I	52.7	Low	52.5	Low	11 Å²	11	97.9 Å²	97.9	6%	0.056	49%	0.494	C	S	.	.			trans	-121.4	110.4	-172.4	-56.4	156	0	0	0	109.3	R66 Q83 D86 V89	R66-I68 HydrophobicContact CB-CD1 3.5Å; R66-I68 VanDerWaalsContact CB-CD1 3.5Å; R66-I68 HydrophobicContact CB-CG1 3.89Å; R66-I68 PolarHBondContact O-N 2.85Å; R66-I68 VanDerWaalsContact O-N 3.09Å; I68-Q83 WeakPolarHBondContact CG2-O 3.3Å; I68-D86 HydrophobicContact CD1-CB 3.45Å; I68-D86 VanDerWaalsContact CD1-CB 3.45Å; I68-D86 VanDerWaalsContact CD1-CG 3.43Å; I68-D86 WeakPolarHBondContact CD1-OD2 3.45Å; I68-D86 HydrophobicContact CG1-CB 4Å; I68-D86 HydrophobicContact CG2-CB 4.28Å; I68-V89 HydrophobicContact CG2-CG2 4.4Å
69	F	50.3	Low	52.5	Low	2 Å²	2	100.6 Å²	100.6	1%	0.009	50%	0.5	C	S	.	.			trans	-130	137.3	167.4	-81.8	-66.6	0	0	0	110.5	F52 Y54 D74 L75 L80 V82	F52-F69 HydrophobicContact CD1-CE1 4.34Å; F52-F69 AromaticContact CE1-CE1 3.89Å; F52-F69 HydrophobicContact CE1-CE1 3.89Å; Y54-F69 HydrophobicContact CE1-CD2 4.15Å; Y54-F69 HydrophobicContact CE1-CE1 4.22Å; Y54-F69 AromaticContact CE1-CE2 3.72Å; Y54-F69 HydrophobicContact CE1-CE2 3.72Å; Y54-F69 AromaticContact CE1-CZ 3.77Å; Y54-F69 HydrophobicContact CE1-CZ 3.77Å; Y54-F69 AromaticContact CZ-CE2 3.47Å; Y54-F69 VanDerWaalsContact CZ-CE2 3.47Å; Y54-F69 AromaticContact CZ-CZ 3.61Å; Y54-F69 WeakPolarHBondContact OH-CE2 3.48Å; Y54-F69 WeakPolarHBondContact OH-CZ 3.24Å; F69-D74 HydrophobicContact CD1-CB 3.38Å; F69-D74 HydrophobicContact CE1-CB 3.51Å; F69-D74 WeakPolarHBondContact CE1-O 3.45Å; F69-D74 WeakPolarHBondContact CE2-O 3.33Å; F69-D74 HydrophobicContact CG-CB 4.12Å; F69-D74 HydrophobicContact CZ-CB 4.25Å; F69-D74 WeakPolarHBondContact CZ-O 3.27Å; F69-L75 HydrophobicContact CB-CD2 4.02Å; F69-L75 HydrophobicContact CD2-CD2 3.68Å; F69-L75 HydrophobicContact CE2-CD2 4.43Å; F69-L75 HydrophobicContact CG-CD2 4.24Å; F69-L80 HydrophobicContact CD2-CB 4.09Å; F69-L80 HydrophobicContact CD2-CD2 3.46Å; F69-L80 VanDerWaalsContact CD2-CD2 3.46Å; F69-L80 HydrophobicContact CD2-CG 4.22Å; F69-L80 HydrophobicContact CE2-CB 4.45Å; F69-L80 HydrophobicContact CE2-CD1 4.22Å; F69-L80 HydrophobicContact CE2-CD2 3.59Å; F69-L80 HydrophobicContact CE2-CG 4.27Å; F69-V82 WeakPolarHBondContact O-CG1 3.27Å
70	P	52.8	Low	52.3	Low	31 Å²	31	93.7 Å²	93.7	20%	0.201	47%	0.465	C	S	.	.	S	Bend	trans	-80.1	-32.8	174.6	31.4	-32.5	0	0	0	112.2	F84	P70-F84 WeakPolarHBondContact O-CE1 3.35Å
71	N	52.2	Low	52.6	Low	70 Å²	70	99.4 Å²	99.4	37%	0.374	49%	0.488	S	S	.	.	S	Bend	trans	-117.3	140.3	-174.4	-67.9	3.3	0	0	0	110.4	E73 D74	N71-E73 HydrophobicContact CB-CG 3.73Å; N71-E73 PolarHBondContact ND2-OE1 2.81Å; N71-E73 PolarHBondContact O-N 3.21Å; N71-D74 PolarHBondContact O-N 3.09Å; N71-D74 VanDerWaalsContact O-N 3.16Å
72	Q	52.3	Low	52.8	Low	155 Å²	155	97.2 Å²	97.2	72%	0.724	47%	0.473	S	S	*	.	G	3₁₀ helix	trans	-61.5	-29.7	174.5	-74.9	-174.3	-30.6	0	0	111.8	D74 L75 V82	Q72-D74 VanDerWaalsContact C-N 3.25Å; Q72-D74 PolarHBondContact O-N 2.98Å; Q72-L75 HydrophobicContact CB-CD1 4Å; Q72-L75 HydrophobicContact CG-CD1 3.97Å; Q72-L75 WeakPolarHBondContact O-CB 3.2Å; Q72-L75 WeakPolarHBondContact O-CG 3.4Å; Q72-L75 PolarHBondContact O-N 3.4Å; Q72-L75 VanDerWaalsContact O-N 3.11Å; Q72-V82 HydrophobicContact CG-CG2 4.15Å
73	E	55.7	Low	52.8	Low	140 Å²	140	95.9 Å²	95.9	65%	0.654	46%	0.464	S	S	*	.	G	3₁₀ helix	trans	-64.1	-26.5	176.3	66.4	-127.5	-160	0	0	114	N71 L75	N71-E73 HydrophobicContact CB-CG 3.73Å; N71-E73 PolarHBondContact ND2-OE1 2.81Å; N71-E73 PolarHBondContact O-N 3.21Å; E73-L75 VanDerWaalsContact C-N 3.26Å; E73-L75 PolarHBondContact O-N 3.49Å
74	D	55.1	Low	53	Low	54 Å²	54	97.2 Å²	97.2	29%	0.289	45%	0.45	S	S	.	.	G	3₁₀ helix	trans	-81.1	-9.7	177.7	-76.1	-25.5	0	0	0	112.3	F69 N71 Q72 F76	F69-D74 HydrophobicContact CD1-CB 3.38Å; F69-D74 HydrophobicContact CE1-CB 3.51Å; F69-D74 WeakPolarHBondContact CE1-O 3.45Å; F69-D74 WeakPolarHBondContact CE2-O 3.33Å; F69-D74 HydrophobicContact CG-CB 4.12Å; F69-D74 HydrophobicContact CZ-CB 4.25Å; F69-D74 WeakPolarHBondContact CZ-O 3.27Å; N71-D74 PolarHBondContact O-N 3.09Å; N71-D74 VanDerWaalsContact O-N 3.16Å; Q72-D74 VanDerWaalsContact C-N 3.25Å; Q72-D74 PolarHBondContact O-N 2.98Å; D74-F76 PolarHBondContact O-N 2.99Å
75	L	54.7	Low	53.6	Low	41 Å²	41	96.4 Å²	96.4	22%	0.215	45%	0.446	C	S	.	.			trans	-73.2	58.5	175.1	-56.7	166.7	0	0	0	111.2	F69 Q72 E73 F77 L80 V82	F69-L75 HydrophobicContact CB-CD2 4.02Å; F69-L75 HydrophobicContact CD2-CD2 3.68Å; F69-L75 HydrophobicContact CE2-CD2 4.43Å; F69-L75 HydrophobicContact CG-CD2 4.24Å; Q72-L75 HydrophobicContact CB-CD1 4Å; Q72-L75 HydrophobicContact CG-CD1 3.97Å; Q72-L75 WeakPolarHBondContact O-CB 3.2Å; Q72-L75 WeakPolarHBondContact O-CG 3.4Å; Q72-L75 PolarHBondContact O-N 3.4Å; Q72-L75 VanDerWaalsContact O-N 3.11Å; E73-L75 VanDerWaalsContact C-N 3.26Å; E73-L75 PolarHBondContact O-N 3.49Å; L75-F77 PolarHBondContact O-N 3.25Å; L75-L80 HydrophobicContact CD2-CB 3.5Å; L75-L80 VanDerWaalsContact CD2-CB 3.5Å; L75-L80 WeakPolarHBondContact CD2-O 3.3Å; L75-V82 HydrophobicContact CD1-CG2 3.67Å; L75-V82 HydrophobicContact CD2-CG2 4.3Å; L75-V82 HydrophobicContact CG-CG2 4.44Å
76	F	52.8	Low	54.5	Low	164 Å²	164	92.4 Å²	92.4	72%	0.719	43%	0.432	S	S	*	.			trans	-56.5	-19.1	169.9	-80.1	-83.7	0	0	0	112.7	D74	D74-F76 PolarHBondContact O-N 2.99Å
77	F	51.6	Low	55.6	Low	129 Å²	129	90 Å²	90	57%	0.566	43%	0.431	S	S	*	.	S	Bend	trans	-113.3	114.2	176.9	-61.5	-77.8	0	0	0	110.3	L75 N79 L80	L75-F77 PolarHBondContact O-N 3.25Å; F77-N79 PolarHBondContact O-N 3.43Å; F77-L80 HydrophobicContact CB-CD1 3.76Å; F77-L80 PolarHBondContact O-N 3.45Å; F77-L80 VanDerWaalsContact O-N 3.15Å
78	K	51.8	Low	56.7	Low	211 Å²	211	88.4 Å²	88.4	92%	0.917	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.3	-11.6	178.8	-89.2	-178.7	171.8	179.8	0	116.5
79	N	51.8	Low	58	Low	122 Å²	122	88.5 Å²	88.5	65%	0.652	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.9	4.3	-175	-62.2	-19.9	0	0	0	113.4	R67 F77	R67-N79 PolarHBondContact NH1-O 2.94Å; F77-N79 PolarHBondContact O-N 3.43Å
80	L	52.7	Low	59.5	Low	22 Å²	22	91.3 Å²	91.3	12%	0.115	44%	0.443	C	S	.	.			trans	-89.1	118.6	175.4	-81.5	97.8	0	0	0	111.2	Y54 R67 F69 L75 F77	Y54-L80 HydrophobicContact CD1-CD2 4.18Å; Y54-L80 HydrophobicContact CD2-CD2 4.06Å; Y54-L80 HydrophobicContact CE1-CD2 3.76Å; Y54-L80 HydrophobicContact CE2-CD1 4.08Å; Y54-L80 HydrophobicContact CE2-CD2 3.63Å; Y54-L80 HydrophobicContact CE2-CG 4.48Å; Y54-L80 HydrophobicContact CG-CD2 4.34Å; Y54-L80 VanDerWaalsContact CZ-CD2 3.49Å; R67-L80 HydrophobicContact CB-CB 4.35Å; R67-L80 HydrophobicContact CB-CD2 3.51Å; R67-L80 HydrophobicContact CB-CG 3.8Å; R67-L80 HydrophobicContact CG-CD2 3.89Å; R67-L80 HydrophobicContact CG-CG 3.88Å; F69-L80 HydrophobicContact CD2-CB 4.09Å; F69-L80 HydrophobicContact CD2-CD2 3.46Å; F69-L80 VanDerWaalsContact CD2-CD2 3.46Å; F69-L80 HydrophobicContact CD2-CG 4.22Å; F69-L80 HydrophobicContact CE2-CB 4.45Å; F69-L80 HydrophobicContact CE2-CD1 4.22Å; F69-L80 HydrophobicContact CE2-CD2 3.59Å; F69-L80 HydrophobicContact CE2-CG 4.27Å; L75-L80 HydrophobicContact CD2-CB 3.5Å; L75-L80 VanDerWaalsContact CD2-CB 3.5Å; L75-L80 WeakPolarHBondContact CD2-O 3.3Å; F77-L80 HydrophobicContact CB-CD1 3.76Å; F77-L80 PolarHBondContact O-N 3.45Å; F77-L80 VanDerWaalsContact O-N 3.15Å
81	E	53.1	Low	60.9	Low	164 Å²	164	92.8 Å²	92.8	77%	0.766	44%	0.444	S	S	*	.			trans	-71.1	138.4	163.9	-71.4	178.1	178.6	0	0	108.6	Q83	E81-Q83 PolarHBondContact O-N 3.1Å; E81-Q83 VanDerWaalsContact O-N 3.11Å
82	V	55.5	Low	62.5	Low	44 Å²	44	89.5 Å²	89.5	27%	0.267	43%	0.427	S	S	.	.			trans	-78.1	97.8	179.5	-170.8	0	0	0	0	108.1	F69 Q72 L75 F84	F69-V82 WeakPolarHBondContact O-CG1 3.27Å; Q72-V82 HydrophobicContact CG-CG2 4.15Å; L75-V82 HydrophobicContact CD1-CG2 3.67Å; L75-V82 HydrophobicContact CD2-CG2 4.3Å; L75-V82 HydrophobicContact CG-CG2 4.44Å; V82-F84 HydrophobicContact CB-CE2 4.08Å; V82-F84 HydrophobicContact CB-CZ 4.49Å; V82-F84 HydrophobicContact CG1-CD1 4.36Å; V82-F84 HydrophobicContact CG1-CD2 3.75Å; V82-F84 HydrophobicContact CG1-CE1 3.91Å; V82-F84 HydrophobicContact CG1-CE2 3.19Å; V82-F84 HydrophobicContact CG1-CG 4.31Å; V82-F84 HydrophobicContact CG1-CZ 3.29Å
83	Q	55.6	Low	64.1	Low	98 Å²	98	86.6 Å²	86.6	46%	0.458	41%	0.409	S	S	.	.			trans	-100.3	107.1	170.7	-167.4	170	19.7	0	0	109.4	I68 E81	I68-Q83 WeakPolarHBondContact CG2-O 3.3Å; E81-Q83 PolarHBondContact O-N 3.1Å; E81-Q83 VanDerWaalsContact O-N 3.11Å
84	F	58.6	Low	65.6	Low	133 Å²	133	85.5 Å²	85.5	58%	0.583	40%	0.399	S	S	*	.			trans	-77.3	-27.4	-179.6	-68.1	-85.4	0	0	0	113.2	P70 V82	P70-F84 WeakPolarHBondContact O-CE1 3.35Å; V82-F84 HydrophobicContact CB-CE2 4.08Å; V82-F84 HydrophobicContact CB-CZ 4.49Å; V82-F84 HydrophobicContact CG1-CD1 4.36Å; V82-F84 HydrophobicContact CG1-CD2 3.75Å; V82-F84 HydrophobicContact CG1-CE1 3.91Å; V82-F84 HydrophobicContact CG1-CE2 3.19Å; V82-F84 HydrophobicContact CG1-CG 4.31Å; V82-F84 HydrophobicContact CG1-CZ 3.29Å
85	D	63.9	Low	67.2	Low	108 Å²	108	83 Å²	83	58%	0.578	39%	0.385	S	S	*	.			trans	-112	43.7	-161.1	-58.7	-24.6	0	0	0	113.4	P87	D85-P87 VanDerWaalsContact O-CD 3.22Å; D85-P87 WeakPolarHBondContact O-CD 3.44Å
86	D	68	Low	68.8	Low	5 Å²	5	82.7 Å²	82.7	3%	0.027	38%	0.383	C	S	.	.			trans	-64.4	121.6	173.4	-178.4	-85.6	0	0	0	110.4	R66 I68 H88 V89 E90	R66-D86 WeakPolarHBondContact CD-OD2 3.23Å; R66-D86 IonicContact CZ-OD2 3.68Å; R66-D86 IonicContact NE-OD2 3.81Å; R66-D86 IonicContact NH1-OD1 3.9Å; R66-D86 IonicContact NH1-OD2 2.75Å; R66-D86 PolarHBondContact NH1-OD2 3.2Å; I68-D86 HydrophobicContact CD1-CB 3.45Å; I68-D86 VanDerWaalsContact CD1-CB 3.45Å; I68-D86 VanDerWaalsContact CD1-CG 3.43Å; I68-D86 WeakPolarHBondContact CD1-OD2 3.45Å; I68-D86 HydrophobicContact CG1-CB 4Å; I68-D86 HydrophobicContact CG2-CB 4.28Å; D86-H88 PolarHBondContact O-N 3.35Å; D86-H88 WeakPolarHBondContact OD1-CA 3.49Å; D86-H88 VanDerWaalsContact OD1-CB 3.28Å; D86-H88 WeakPolarHBondContact OD1-CB 3.36Å; D86-H88 IonicContact OD1-CD2 2.72Å; D86-H88 PolarHBondContact OD1-CD2 2.96Å; D86-H88 IonicContact OD1-CG 2.82Å; D86-H88 PolarHBondContact OD1-N 2.9Å; D86-V89 HydrophobicContact CB-CB 4.27Å; D86-V89 HydrophobicContact CB-CG2 4.02Å; D86-V89 PolarHBondContact O-N 2.81Å; D86-V89 VanDerWaalsContact O-N 3.15Å; D86-V89 PolarHBondContact OD1-N 3.48Å; D86-E90 WeakPolarHBondContact O-CG 3.28Å; D86-E90 PolarHBondContact O-N 2.95Å
87	P	75.2	Confident	70.6	Confident	66 Å²	66	80.8 Å²	80.8	43%	0.429	37%	0.371	S	S	.	.	H	α-helix	trans	-61	-22.3	-174.7	-26.2	35.1	0	0	0	114.7	D85 R91	D85-P87 VanDerWaalsContact O-CD 3.22Å; D85-P87 WeakPolarHBondContact O-CD 3.44Å; P87-R91 VanDerWaalsContact O-CB 3.27Å; P87-R91 WeakPolarHBondContact O-CB 3.44Å; P87-R91 PolarHBondContact O-N 3.02Å; P87-R91 PolarHBondContact O-NH1 3.28Å
88	H	74	Confident	72.4	Confident	87 Å²	87	76 Å²	76	40%	0.403	35%	0.351	S	S	.	.	H	α-helix	trans	-81.6	-44.5	176.9	-54.3	-81.4	0	0	0	111.5	Q50 R66 D86 E90 R91 V92	Q50-H88 PolarHBondContact OE1-O 3.21Å; R66-H88 PolarHBondContact NH1-CD2 3.3Å; R66-H88 PolarHBondContact NH1-NE2 3.4Å; R66-H88 VanDerWaalsContact NH1-NE2 3.2Å; D86-H88 PolarHBondContact O-N 3.35Å; D86-H88 WeakPolarHBondContact OD1-CA 3.49Å; D86-H88 VanDerWaalsContact OD1-CB 3.28Å; D86-H88 WeakPolarHBondContact OD1-CB 3.36Å; D86-H88 IonicContact OD1-CD2 2.72Å; D86-H88 PolarHBondContact OD1-CD2 2.96Å; D86-H88 IonicContact OD1-CG 2.82Å; D86-H88 PolarHBondContact OD1-N 2.9Å; H88-E90 VanDerWaalsContact C-N 3.31Å; H88-E90 PolarHBondContact O-N 3.3Å; H88-R91 PolarHBondContact ND1-NH1 2.83Å; H88-R91 WeakPolarHBondContact O-CB 3.42Å; H88-R91 PolarHBondContact O-N 3.07Å; H88-R91 VanDerWaalsContact O-N 3.09Å; H88-V92 PolarHBondContact O-N 2.75Å
89	V	79.2	Confident	74.2	Confident	12 Å²	12	65.9 Å²	65.9	7%	0.073	31%	0.307	C	S	.	.	H	α-helix	trans	-59	-46.7	174.9	178.4	0	0	0	0	109.9	T47 Q50 R51 I68 D86 R91 V92 R93	T47-V89 HydrophobicContact CG2-CG1 4.4Å; Q50-V89 HydrophobicContact CB-CG2 3.94Å; R51-V89 HydrophobicContact CG-CG1 4.08Å; R51-V89 HydrophobicContact CG-CG2 4.37Å; I68-V89 HydrophobicContact CG2-CG2 4.4Å; D86-V89 HydrophobicContact CB-CB 4.27Å; D86-V89 HydrophobicContact CB-CG2 4.02Å; D86-V89 PolarHBondContact O-N 2.81Å; D86-V89 VanDerWaalsContact O-N 3.15Å; D86-V89 PolarHBondContact OD1-N 3.48Å; V89-R91 VanDerWaalsContact C-N 3.26Å; V89-R91 PolarHBondContact O-N 3.4Å; V89-V92 PolarHBondContact O-N 3.36Å; V89-R93 WeakPolarHBondContact O-CB 3.42Å; V89-R93 PolarHBondContact O-N 3.41Å
90	E	82	Confident	76.1	Confident	62 Å²	62	63.6 Å²	63.6	29%	0.29	29%	0.294	S	S	.	.	H	α-helix	trans	-63.9	-32.3	176.9	-67.9	-154.9	127.7	0	0	113.1	D86 H88 R94	D86-E90 WeakPolarHBondContact O-CG 3.28Å; D86-E90 PolarHBondContact O-N 2.95Å; H88-E90 VanDerWaalsContact C-N 3.31Å; H88-E90 PolarHBondContact O-N 3.3Å; E90-R94 WeakPolarHBondContact O-CB 3.21Å; E90-R94 VanDerWaalsContact O-CG 3.27Å; E90-R94 WeakPolarHBondContact O-CG 3.43Å; E90-R94 PolarHBondContact O-N 2.88Å; E90-R94 PolarHBondContact O-NE 2.91Å
91	R	83.4	Confident	77.9	Confident	61 Å²	61	68.1 Å²	68.1	23%	0.23	31%	0.314	C	S	.	.	H	α-helix	trans	-65.2	-47.9	175.7	-174	178.6	-70.1	103.4	-4.2	110.2	P87 H88 V89 R94 A95 Y141	P87-R91 VanDerWaalsContact O-CB 3.27Å; P87-R91 WeakPolarHBondContact O-CB 3.44Å; P87-R91 PolarHBondContact O-N 3.02Å; P87-R91 PolarHBondContact O-NH1 3.28Å; H88-R91 PolarHBondContact ND1-NH1 2.83Å; H88-R91 WeakPolarHBondContact O-CB 3.42Å; H88-R91 PolarHBondContact O-N 3.07Å; H88-R91 VanDerWaalsContact O-N 3.09Å; V89-R91 VanDerWaalsContact C-N 3.26Å; V89-R91 PolarHBondContact O-N 3.4Å; R91-R94 PolarHBondContact O-N 3.16Å; R91-A95 PolarHBondContact O-N 3.36Å; R91-Y141 WeakPolarHBondContact CD-O 3.37Å; R91-Y141 HydrophobicContact CG-CD1 3.86Å; R91-Y141 HydrophobicContact CG-CE1 3.65Å; R91-Y141 WeakPolarHBondContact O-CE1 3.46Å
92	V	84.7	Confident	79.7	Confident	1 Å²	1	60.8 Å²	60.8	1%	0.006	28%	0.28	C	S	.	.	H	α-helix	trans	-68	-37.6	177.6	178.7	0	0	0	0	111.7	M43 L46 T47 Q50 H88 V89 R94 A95 H96 A142	M43-V92 HydrophobicContact CE-CG1 3.87Å; L46-V92 HydrophobicContact CB-CG1 4.21Å; T47-V92 VanDerWaalsContact OG1-CG1 3.3Å; T47-V92 WeakPolarHBondContact OG1-CG1 3.2Å; Q50-V92 VanDerWaalsContact OE1-CB 3.31Å; H88-V92 PolarHBondContact O-N 2.75Å; V89-V92 PolarHBondContact O-N 3.36Å; V92-R94 VanDerWaalsContact C-N 3.34Å; V92-R94 PolarHBondContact O-N 3.06Å; V92-A95 WeakPolarHBondContact O-CB 3.49Å; V92-A95 PolarHBondContact O-N 3.26Å; V92-H96 WeakPolarHBondContact O-CB 3.29Å; V92-H96 PolarHBondContact O-N 3.38Å; V92-A142 HydrophobicContact CG2-CB 4.02Å
93	R	87.3	Confident	81.5	Confident	94 Å²	94	58.7 Å²	58.7	36%	0.355	27%	0.268	S	S	.	.	H	α-helix	trans	-59.7	-43.4	174.6	-166.9	-177	70.3	79.9	-4	112.1	V89 H96 R97	V89-R93 WeakPolarHBondContact O-CB 3.42Å; V89-R93 PolarHBondContact O-N 3.41Å; R93-H96 PolarHBondContact O-N 2.91Å; R93-R97 WeakPolarHBondContact O-CB 3.19Å; R93-R97 PolarHBondContact O-N 2.92Å
94	R	87.2	Confident	83.3	Confident	118 Å²	118	58.2 Å²	58.2	45%	0.445	27%	0.268	S	S	.	.	H	α-helix	trans	-65.9	-40.1	174.9	-74.6	-175.9	-70	175.3	-8.2	112.1	E90 R91 V92 R97 N98 Y141	E90-R94 WeakPolarHBondContact O-CB 3.21Å; E90-R94 VanDerWaalsContact O-CG 3.27Å; E90-R94 WeakPolarHBondContact O-CG 3.43Å; E90-R94 PolarHBondContact O-N 2.88Å; E90-R94 PolarHBondContact O-NE 2.91Å; R91-R94 PolarHBondContact O-N 3.16Å; V92-R94 VanDerWaalsContact C-N 3.34Å; V92-R94 PolarHBondContact O-N 3.06Å; R94-R97 PolarHBondContact O-N 3.1Å; R94-N98 WeakPolarHBondContact O-CB 3.31Å; R94-N98 PolarHBondContact O-N 2.9Å; R94-Y141 HydrophobicContact CB-CE1 4.21Å; R94-Y141 VanDerWaalsContact CB-OH 3.3Å; R94-Y141 WeakPolarHBondContact CB-OH 3.22Å
95	A	87.3	Confident	85	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-60.9	-46	175.2	0	0	0	0	0	111.7	M43 R91 V92 N98 D99 Y141 A142	M43-A95 HydrophobicContact CE-CB 3.52Å; R91-A95 PolarHBondContact O-N 3.36Å; V92-A95 WeakPolarHBondContact O-CB 3.49Å; V92-A95 PolarHBondContact O-N 3.26Å; A95-N98 PolarHBondContact O-N 3.42Å; A95-D99 PolarHBondContact O-N 3.28Å; A95-Y141 HydrophobicContact CB-CD1 3.42Å; A95-Y141 VanDerWaalsContact CB-CD1 3.42Å; A95-Y141 HydrophobicContact CB-CE1 3.88Å; A95-Y141 HydrophobicContact CB-CG 3.84Å; A95-A142 HydrophobicContact CB-CB 4.34Å
96	H	90	Very high	86.5	Confident	36 Å²	36	49.4 Å²	49.4	17%	0.167	23%	0.23	C	C	.	.	H	α-helix	trans	-68.2	-38.8	179.6	-172	71.7	0	0	0	112.2	M40 M43 V92 R93 N98 D99 M100	M40-H96 PolarHBondContact O-CE1 3.35Å; M40-H96 PolarHBondContact O-ND1 2.79Å; M43-H96 HydrophobicContact CB-CB 4.35Å; M43-H96 VanDerWaalsContact CB-ND1 3.27Å; M43-H96 WeakPolarHBondContact CB-ND1 3.35Å; M43-H96 HydrophobicContact CE-CB 4.4Å; V92-H96 WeakPolarHBondContact O-CB 3.29Å; V92-H96 PolarHBondContact O-N 3.38Å; R93-H96 PolarHBondContact O-N 2.91Å; H96-N98 VanDerWaalsContact C-N 3.35Å; H96-N98 PolarHBondContact O-N 2.88Å; H96-D99 VanDerWaalsContact O-CB 3.31Å; H96-D99 WeakPolarHBondContact O-CB 3.29Å; H96-D99 PolarHBondContact O-N 3.46Å; H96-M100 WeakPolarHBondContact O-CG 3.14Å; H96-M100 PolarHBondContact O-N 2.82Å
97	R	90.4	Very high	87.8	Confident	123 Å²	123	50.6 Å²	50.6	46%	0.464	24%	0.235	S	C	.	.	H	α-helix	trans	-59.3	-46.9	171.6	-178.4	179.9	-67.3	-168.6	-6.9	111.4	R93 R94 D99 M100 E101	R93-R97 WeakPolarHBondContact O-CB 3.19Å; R93-R97 PolarHBondContact O-N 2.92Å; R94-R97 PolarHBondContact O-N 3.1Å; R97-D99 VanDerWaalsContact C-N 3.26Å; R97-D99 PolarHBondContact O-N 3.3Å; R97-M100 HydrophobicContact CB-CE 4.43Å; R97-M100 PolarHBondContact O-N 3.01Å; R97-M100 VanDerWaalsContact O-N 3.1Å; R97-E101 WeakPolarHBondContact CD-OE1 3.41Å; R97-E101 HydrophobicContact CG-CG 4.42Å; R97-E101 VanDerWaalsContact CG-OE1 3.28Å; R97-E101 WeakPolarHBondContact CG-OE1 3.28Å; R97-E101 WeakPolarHBondContact O-CG 3.17Å; R97-E101 PolarHBondContact O-N 2.81Å
98	N	89.8	Confident	88.8	Confident	28 Å²	28	52.4 Å²	52.4	15%	0.15	24%	0.24	C	C	.	.	H	α-helix	trans	-61.9	-35.6	176.4	-177.3	-94.9	0	0	0	112.1	R94 A95 H96 N102 R134 H137	R94-N98 WeakPolarHBondContact O-CB 3.31Å; R94-N98 PolarHBondContact O-N 2.9Å; A95-N98 PolarHBondContact O-N 3.42Å; H96-N98 VanDerWaalsContact C-N 3.35Å; H96-N98 PolarHBondContact O-N 2.88Å; N98-N102 PolarHBondContact ND2-ND2 3.43Å; N98-N102 PolarHBondContact O-N 2.66Å; N98-N102 PolarHBondContact O-ND2 3.32Å; N98-R134 PolarHBondContact O-NH2 3.3Å; N98-R134 PolarHBondContact OD1-NH1 3.01Å; N98-R134 PolarHBondContact OD1-NH2 3.32Å; N98-H137 PolarHBondContact OD1-CE1 2.91Å; N98-H137 PolarHBondContact OD1-NE2 2.91Å
99	D	89.5	Confident	89.8	Confident	0 Å²	0	50 Å²	50	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-58.9	-48.8	170.8	-81.9	-35	0	0	0	111.9	K39 M40 A95 H96 R97 E101 N102 I103 R134 T138	K39-D99 IonicContact NZ-OD1 3.78Å; K39-D99 PolarHBondContact NZ-OD1 3.26Å; K39-D99 IonicContact NZ-OD2 3.47Å; K39-D99 PolarHBondContact NZ-OD2 3.08Å; M40-D99 HydrophobicContact CG-CB 4.41Å; A95-D99 PolarHBondContact O-N 3.28Å; H96-D99 VanDerWaalsContact O-CB 3.31Å; H96-D99 WeakPolarHBondContact O-CB 3.29Å; H96-D99 PolarHBondContact O-N 3.46Å; R97-D99 VanDerWaalsContact C-N 3.26Å; R97-D99 PolarHBondContact O-N 3.3Å; D99-E101 PolarHBondContact O-N 3.34Å; D99-N102 PolarHBondContact O-N 3.49Å; D99-I103 HydrophobicContact CB-CD1 3.91Å; D99-I103 WeakPolarHBondContact O-CB 3.08Å; D99-I103 VanDerWaalsContact O-CG1 3.27Å; D99-I103 WeakPolarHBondContact O-CG1 3.41Å; D99-I103 PolarHBondContact O-N 2.79Å; D99-R134 VanDerWaalsContact CA-NH2 3.32Å; D99-R134 IonicContact OD1-CZ 3.37Å; D99-R134 IonicContact OD1-NE 3.32Å; D99-R134 PolarHBondContact OD1-NE 3.23Å; D99-R134 IonicContact OD1-NH2 2.66Å; D99-R134 PolarHBondContact OD1-NH2 2.83Å; D99-T138 VanDerWaalsContact OD2-CG2 3.25Å; D99-T138 WeakPolarHBondContact OD2-CG2 3.12Å
100	M	90.6	Very high	90.6	Very high	74 Å²	74	49.4 Å²	49.4	37%	0.365	23%	0.225	S	C	.	.	H	α-helix	trans	-61.8	-44	178.4	-66.1	-174.3	-65.9	0	0	112.1	M40 H96 R97 N102 L104	M40-M100 HydrophobicContact CE-CB 4.36Å; M40-M100 HydrophobicContact CE-CG 3.68Å; H96-M100 WeakPolarHBondContact O-CG 3.14Å; H96-M100 PolarHBondContact O-N 2.82Å; R97-M100 HydrophobicContact CB-CE 4.43Å; R97-M100 PolarHBondContact O-N 3.01Å; R97-M100 VanDerWaalsContact O-N 3.1Å; M100-N102 VanDerWaalsContact C-N 3.26Å; M100-N102 PolarHBondContact O-N 3.01Å; M100-L104 HydrophobicContact CB-CD1 4.14Å; M100-L104 VanDerWaalsContact O-CB 3.29Å; M100-L104 WeakPolarHBondContact O-CB 3.15Å; M100-L104 WeakPolarHBondContact O-CD1 3.37Å; M100-L104 WeakPolarHBondContact O-CG 3.4Å; M100-L104 PolarHBondContact O-N 3.36Å
101	E	90	Very high	91.2	Very high	117 Å²	117	49.6 Å²	49.6	55%	0.547	23%	0.228	S	C	.	.	H	α-helix	trans	-63.8	-27.5	-179.2	-72.2	166.8	-179.3	0	0	113.4	R97 D99 P105	R97-E101 WeakPolarHBondContact CD-OE1 3.41Å; R97-E101 HydrophobicContact CG-CG 4.42Å; R97-E101 VanDerWaalsContact CG-OE1 3.28Å; R97-E101 WeakPolarHBondContact CG-OE1 3.28Å; R97-E101 WeakPolarHBondContact O-CG 3.17Å; R97-E101 PolarHBondContact O-N 2.81Å; D99-E101 PolarHBondContact O-N 3.34Å; E101-P105 VanDerWaalsContact O-CD 3.27Å; E101-P105 WeakPolarHBondContact O-CD 3.38Å; E101-P105 VanDerWaalsContact O-CG 3.3Å; E101-P105 WeakPolarHBondContact O-CG 3.11Å
102	N	90.8	Very high	91.7	Very high	10 Å²	10	50 Å²	50	5%	0.053	23%	0.234	C	C	.	.	H	α-helix	trans	-105	-39.9	-177.2	-70.9	-84.9	0	0	0	113.7	N98 D99 M100 Y106 F155 M158	N98-N102 PolarHBondContact ND2-ND2 3.43Å; N98-N102 PolarHBondContact O-N 2.66Å; N98-N102 PolarHBondContact O-ND2 3.32Å; D99-N102 PolarHBondContact O-N 3.49Å; M100-N102 VanDerWaalsContact C-N 3.26Å; M100-N102 PolarHBondContact O-N 3.01Å; N102-Y106 WeakPolarHBondContact O-CB 3.48Å; N102-Y106 PolarHBondContact O-N 3.14Å; N102-F155 WeakPolarHBondContact ND2-CD2 3.38Å; N102-F155 VanDerWaalsContact ND2-CE2 3.29Å; N102-F155 WeakPolarHBondContact ND2-CE2 3.38Å; N102-F155 WeakPolarHBondContact OD1-CD2 3.48Å; N102-F155 WeakPolarHBondContact OD1-CE2 3.39Å; N102-M158 HydrophobicContact CB-CG 4.37Å
103	I	93.3	Very high	92.1	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-76.7	-34.8	-174.3	-62	171.7	0	0	0	110.6	L36 M40 D99 Y106 F107 R134 M158	L36-I103 HydrophobicContact CB-CG2 4.32Å; L36-I103 HydrophobicContact CD1-CG2 4.32Å; L36-I103 HydrophobicContact CD2-CD1 4.16Å; M40-I103 HydrophobicContact CG-CD1 3.81Å; M40-I103 HydrophobicContact SD-CB 3.81Å; M40-I103 HydrophobicContact SD-CD1 3.85Å; M40-I103 HydrophobicContact SD-CG1 4.43Å; M40-I103 HydrophobicContact SD-CG2 3.58Å; M40-I103 VanDerWaalsContact SD-CG2 3.58Å; D99-I103 HydrophobicContact CB-CD1 3.91Å; D99-I103 WeakPolarHBondContact O-CB 3.08Å; D99-I103 VanDerWaalsContact O-CG1 3.27Å; D99-I103 WeakPolarHBondContact O-CG1 3.41Å; D99-I103 PolarHBondContact O-N 2.79Å; I103-Y106 WeakPolarHBondContact O-CB 3.46Å; I103-Y106 PolarHBondContact O-N 2.72Å; I103-F107 HydrophobicContact CG2-CD1 4.31Å; I103-F107 HydrophobicContact CG2-CD2 3.94Å; I103-F107 HydrophobicContact CG2-CE1 3.81Å; I103-F107 HydrophobicContact CG2-CE2 3.43Å; I103-F107 VanDerWaalsContact CG2-CE2 3.43Å; I103-F107 HydrophobicContact CG2-CG 4.36Å; I103-F107 HydrophobicContact CG2-CZ 3.36Å; I103-F107 WeakPolarHBondContact O-CG 3.39Å; I103-F107 PolarHBondContact O-N 3.48Å; I103-R134 HydrophobicContact CD1-CB 4.42Å; I103-R134 HydrophobicContact CD1-CG 4.29Å; I103-R134 HydrophobicContact CG1-CG 4.07Å; I103-M158 HydrophobicContact CG1-CE 4.34Å
104	L	93.8	Very high	92.4	Very high	88 Å²	88	45.8 Å²	45.8	46%	0.461	22%	0.218	S	C	.	.	H	α-helix	trans	-64.9	-49.7	179.3	-62.5	174.1	0	0	0	112.1	M100 Y106 F107 I108	M100-L104 HydrophobicContact CB-CD1 4.14Å; M100-L104 VanDerWaalsContact O-CB 3.29Å; M100-L104 WeakPolarHBondContact O-CB 3.15Å; M100-L104 WeakPolarHBondContact O-CD1 3.37Å; M100-L104 WeakPolarHBondContact O-CG 3.4Å; M100-L104 PolarHBondContact O-N 3.36Å; L104-Y106 VanDerWaalsContact C-N 3.27Å; L104-Y106 PolarHBondContact O-N 3.05Å; L104-F107 PolarHBondContact O-N 3.07Å; L104-I108 WeakPolarHBondContact O-CG1 3.48Å; L104-I108 PolarHBondContact O-N 3Å
105	P	94.6	Very high	92.6	Very high	56 Å²	56	42.7 Å²	42.7	36%	0.364	22%	0.215	S	C	.	.	H	α-helix	trans	-60.3	-37.3	172.6	-24.7	36	0	0	0	112.6	E101 I108 M109 T162	E101-P105 VanDerWaalsContact O-CD 3.27Å; E101-P105 WeakPolarHBondContact O-CD 3.38Å; E101-P105 VanDerWaalsContact O-CG 3.3Å; E101-P105 WeakPolarHBondContact O-CG 3.11Å; P105-I108 PolarHBondContact O-N 3.42Å; P105-M109 WeakPolarHBondContact O-CB 3.29Å; P105-M109 WeakPolarHBondContact O-CG 3.43Å; P105-M109 PolarHBondContact O-N 3.32Å; P105-T162 HydrophobicContact CB-CG2 4.43Å
106	Y	95.4	Very high	92.7	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-60.6	-44.2	175.8	166.3	-94	0	0	0	112.3	L36 N102 I103 L104 I108 M109 S110 F127 A130 M158 I161 M165	L36-Y106 HydrophobicContact CD1-CD1 4.05Å; L36-Y106 HydrophobicContact CD1-CE1 3.66Å; N102-Y106 WeakPolarHBondContact O-CB 3.48Å; N102-Y106 PolarHBondContact O-N 3.14Å; I103-Y106 WeakPolarHBondContact O-CB 3.46Å; I103-Y106 PolarHBondContact O-N 2.72Å; L104-Y106 VanDerWaalsContact C-N 3.27Å; L104-Y106 PolarHBondContact O-N 3.05Å; Y106-I108 PolarHBondContact O-N 3.15Å; Y106-M109 PolarHBondContact O-N 3.49Å; Y106-S110 VanDerWaalsContact O-CB 3.26Å; Y106-S110 WeakPolarHBondContact O-CB 3.27Å; Y106-S110 PolarHBondContact O-N 3.1Å; Y106-S110 PolarHBondContact O-OG 3.46Å; Y106-F127 HydrophobicContact CE2-CD1 4.36Å; Y106-F127 WeakPolarHBondContact OH-CA 3.49Å; Y106-F127 VanDerWaalsContact OH-CD1 3.23Å; Y106-F127 WeakPolarHBondContact OH-CD1 3.45Å; Y106-A130 HydrophobicContact CD2-CB 4.22Å; Y106-A130 HydrophobicContact CE2-CB 3.52Å; Y106-M158 HydrophobicContact CD1-CE 3.49Å; Y106-M158 VanDerWaalsContact CD1-CE 3.49Å; Y106-M158 HydrophobicContact CD2-CE 3.65Å; Y106-M158 HydrophobicContact CD2-SD 3.58Å; Y106-M158 VanDerWaalsContact CD2-SD 3.58Å; Y106-M158 HydrophobicContact CE1-CE 3.97Å; Y106-M158 HydrophobicContact CE2-CE 4.11Å; Y106-M158 HydrophobicContact CE2-SD 4.09Å; Y106-M158 HydrophobicContact CG-CE 3.3Å; Y106-M158 HydrophobicContact CG-SD 3.83Å; Y106-I161 HydrophobicContact CE2-CG2 4.46Å; Y106-M165 HydrophobicContact CD2-CE 3.66Å; Y106-M165 HydrophobicContact CE2-CE 3.84Å
107	F	95.9	Very high	92.5	Very high	29 Å²	29	45.9 Å²	45.9	13%	0.127	23%	0.234	C	C	.	.	H	α-helix	trans	-61	-44.3	176.9	-71.8	-30.6	0	0	0	112.2	Y29 L36 V37 M40 I103 L104 S110 L111	Y29-F107 HydrophobicContact CE2-CD1 4.48Å; L36-F107 HydrophobicContact CB-CE1 3.92Å; L36-F107 HydrophobicContact CB-CZ 3.73Å; L36-F107 HydrophobicContact CD1-CE1 3.96Å; L36-F107 HydrophobicContact CD1-CZ 4.49Å; V37-F107 HydrophobicContact CG2-CE2 3.91Å; V37-F107 HydrophobicContact CG2-CZ 3.74Å; M40-F107 HydrophobicContact SD-CE2 4.43Å; I103-F107 HydrophobicContact CG2-CD1 4.31Å; I103-F107 HydrophobicContact CG2-CD2 3.94Å; I103-F107 HydrophobicContact CG2-CE1 3.81Å; I103-F107 HydrophobicContact CG2-CE2 3.43Å; I103-F107 VanDerWaalsContact CG2-CE2 3.43Å; I103-F107 HydrophobicContact CG2-CG 4.36Å; I103-F107 HydrophobicContact CG2-CZ 3.36Å; I103-F107 WeakPolarHBondContact O-CG 3.39Å; I103-F107 PolarHBondContact O-N 3.48Å; L104-F107 PolarHBondContact O-N 3.07Å; F107-S110 WeakPolarHBondContact CA-OG 3.31Å; F107-S110 PolarHBondContact O-OG 2.92Å; F107-S110 VanDerWaalsContact O-OG 3.06Å; F107-L111 WeakPolarHBondContact O-CG 3.49Å; F107-L111 PolarHBondContact O-N 3Å; F107-L111 VanDerWaalsContact O-N 3.15Å
108	I	95.7	Very high	92.6	Very high	104 Å²	104	40.7 Å²	40.7	53%	0.533	22%	0.216	S	C	.	.	H	α-helix	trans	-63.7	-50.7	178.4	-62.6	166.7	0	0	0	109.8	L104 P105 Y106 S110 L111 I112	L104-I108 WeakPolarHBondContact O-CG1 3.48Å; L104-I108 PolarHBondContact O-N 3Å; P105-I108 PolarHBondContact O-N 3.42Å; Y106-I108 PolarHBondContact O-N 3.15Å; I108-S110 PolarHBondContact O-N 3.35Å; I108-L111 PolarHBondContact O-N 3.19Å; I108-I112 HydrophobicContact CG2-CD1 3.82Å; I108-I112 VanDerWaalsContact O-CG1 3.31Å; I108-I112 WeakPolarHBondContact O-CG1 3.35Å; I108-I112 PolarHBondContact O-N 2.94Å; I108-I112 VanDerWaalsContact O-N 3.1Å
109	M	95.4	Very high	92.7	Very high	36 Å²	36	44 Å²	44	18%	0.177	23%	0.234	C	C	.	.	H	α-helix	trans	-67.9	-34.2	-177	-72.9	-50.7	-44.9	0	0	113.4	P105 Y106 I112 Y113 T162 M165 A166 V169	P105-M109 WeakPolarHBondContact O-CB 3.29Å; P105-M109 WeakPolarHBondContact O-CG 3.43Å; P105-M109 PolarHBondContact O-N 3.32Å; Y106-M109 PolarHBondContact O-N 3.49Å; M109-I112 PolarHBondContact O-N 2.89Å; M109-I112 HydrophobicContact SD-CD1 4.25Å; M109-Y113 WeakPolarHBondContact O-CB 3.42Å; M109-Y113 PolarHBondContact O-N 3.4Å; M109-T162 HydrophobicContact CB-CG2 4.04Å; M109-T162 HydrophobicContact CG-CG2 3.82Å; M109-M165 HydrophobicContact CB-CE 4.18Å; M109-A166 VanDerWaalsContact CE-CA 3.42Å; M109-A166 HydrophobicContact CE-CB 3.71Å; M109-A166 HydrophobicContact SD-CB 4.35Å; M109-V169 HydrophobicContact CE-CB 4.49Å; M109-V169 HydrophobicContact CE-CG2 4.39Å
110	S	95	Very high	92.7	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-68.6	-38.7	175.9	49.5	0	0	0	0	112	Y29 Y106 F107 I108 Y113 I114	Y29-S110 WeakPolarHBondContact CE2-OG 3.16Å; Y106-S110 VanDerWaalsContact O-CB 3.26Å; Y106-S110 WeakPolarHBondContact O-CB 3.27Å; Y106-S110 PolarHBondContact O-N 3.1Å; Y106-S110 PolarHBondContact O-OG 3.46Å; F107-S110 WeakPolarHBondContact CA-OG 3.31Å; F107-S110 PolarHBondContact O-OG 2.92Å; F107-S110 VanDerWaalsContact O-OG 3.06Å; I108-S110 PolarHBondContact O-N 3.35Å; S110-Y113 PolarHBondContact O-N 3.16Å; S110-I114 WeakPolarHBondContact O-CD1 3.32Å; S110-I114 WeakPolarHBondContact O-CG1 3.47Å; S110-I114 PolarHBondContact O-N 3.43Å
111	L	94.3	Very high	92.8	Very high	67 Å²	67	47.3 Å²	47.3	35%	0.351	26%	0.257	S	S	.	.	H	α-helix	trans	-61.2	-45.8	172.1	-76.8	171.1	0	0	0	112.2	F19 Y29 F107 I108 Y113 I114 S115	F19-L111 HydrophobicContact CE1-CD2 4.35Å; Y29-L111 HydrophobicContact CD1-CD2 4.19Å; Y29-L111 HydrophobicContact CE1-CD2 3.42Å; Y29-L111 VanDerWaalsContact CE1-CD2 3.42Å; Y29-L111 HydrophobicContact CE1-CG 4.01Å; Y29-L111 WeakPolarHBondContact OH-CG 3.5Å; F107-L111 WeakPolarHBondContact O-CG 3.49Å; F107-L111 PolarHBondContact O-N 3Å; F107-L111 VanDerWaalsContact O-N 3.15Å; I108-L111 PolarHBondContact O-N 3.19Å; L111-Y113 VanDerWaalsContact C-N 3.3Å; L111-Y113 PolarHBondContact O-N 2.98Å; L111-I114 PolarHBondContact O-N 3.4Å; L111-S115 PolarHBondContact O-N 3.33Å
112	I	94.7	Very high	93	Very high	69 Å²	69	44.3 Å²	44.3	35%	0.354	25%	0.247	S	C	.	.	H	α-helix	trans	-66.4	-36	176.8	-59.6	166.4	0	0	0	110.5	I108 M109 I114 S115 V169	I108-I112 HydrophobicContact CG2-CD1 3.82Å; I108-I112 VanDerWaalsContact O-CG1 3.31Å; I108-I112 WeakPolarHBondContact O-CG1 3.35Å; I108-I112 PolarHBondContact O-N 2.94Å; I108-I112 VanDerWaalsContact O-N 3.1Å; M109-I112 PolarHBondContact O-N 2.89Å; M109-I112 HydrophobicContact SD-CD1 4.25Å; I112-I114 VanDerWaalsContact C-N 3.34Å; I112-I114 PolarHBondContact O-N 3.04Å; I112-S115 PolarHBondContact O-N 3.01Å; I112-S115 PolarHBondContact O-OG 2.7Å; I112-V169 HydrophobicContact CG2-CB 4.41Å; I112-V169 HydrophobicContact CG2-CG1 3.51Å; I112-V169 HydrophobicContact CG2-CG2 4.03Å
113	Y	93.9	Very high	93.1	Very high	6 Å²	6	43.9 Å²	43.9	2%	0.024	24%	0.244	C	C	.	.	H	α-helix	trans	-63.6	-40	176.8	-176.8	-114.9	0	0	0	111.7	M109 S110 L111 S115 T116 P118 A123 L126 F127 Y164 M165 V168 V169	M109-Y113 WeakPolarHBondContact O-CB 3.42Å; M109-Y113 PolarHBondContact O-N 3.4Å; S110-Y113 PolarHBondContact O-N 3.16Å; L111-Y113 VanDerWaalsContact C-N 3.3Å; L111-Y113 PolarHBondContact O-N 2.98Å; Y113-S115 VanDerWaalsContact C-N 3.27Å; Y113-S115 PolarHBondContact O-N 3.41Å; Y113-T116 PolarHBondContact O-N 2.85Å; Y113-T116 VanDerWaalsContact O-N 3.12Å; Y113-T116 PolarHBondContact O-OG1 3.35Å; Y113-P118 HydrophobicContact CD1-CB 4.21Å; Y113-P118 HydrophobicContact CD1-CG 3.86Å; Y113-P118 HydrophobicContact CE1-CB 3.54Å; Y113-P118 HydrophobicContact CE1-CG 3.61Å; Y113-P118 HydrophobicContact CE2-CB 3.93Å; Y113-P118 HydrophobicContact CG-CG 4.43Å; Y113-P118 VanDerWaalsContact O-CD 3.31Å; Y113-P118 WeakPolarHBondContact O-CD 3.33Å; Y113-P118 WeakPolarHBondContact OH-CB 3.39Å; Y113-A123 HydrophobicContact CE1-CB 3.81Å; Y113-L126 HydrophobicContact CE1-CD1 4.35Å; Y113-F127 HydrophobicContact CD1-CE1 4.45Å; Y113-F127 HydrophobicContact CD1-CZ 4.31Å; Y113-Y164 HydrophobicContact CE2-CE1 4.48Å; Y113-M165 HydrophobicContact CD1-CG 4.01Å; Y113-M165 HydrophobicContact CD1-SD 3.94Å; Y113-M165 HydrophobicContact CD2-CB 4.08Å; Y113-M165 HydrophobicContact CD2-CG 4.03Å; Y113-M165 HydrophobicContact CE1-CG 4.41Å; Y113-M165 HydrophobicContact CE2-CG 4.43Å; Y113-M165 HydrophobicContact CG-CB 4.11Å; Y113-M165 HydrophobicContact CG-CG 3.81Å; Y113-M165 HydrophobicContact CG-SD 4.03Å; Y113-V168 HydrophobicContact CD2-CB 4.5Å; Y113-V168 HydrophobicContact CD2-CG1 4.43Å; Y113-V168 HydrophobicContact CE2-CB 4.01Å; Y113-V168 HydrophobicContact CE2-CG1 3.79Å; Y113-V169 HydrophobicContact CD2-CG2 4.16Å
114	I	93.2	Very high	93.2	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-60.7	-36.9	176.8	-65.1	162.9	0	0	0	111.6	F19 V25 F26 Y29 S110 L111 I112 T116 N117 F127	F19-I114 HydrophobicContact CD1-CG2 4.32Å; F19-I114 HydrophobicContact CE1-CB 4.32Å; F19-I114 HydrophobicContact CE1-CG2 4.05Å; V25-I114 HydrophobicContact CG1-CG1 3.81Å; F26-I114 HydrophobicContact CD2-CD1 4.27Å; Y29-I114 HydrophobicContact CD1-CD1 3.84Å; Y29-I114 HydrophobicContact CD2-CD1 4.16Å; Y29-I114 HydrophobicContact CG-CD1 3.56Å; S110-I114 WeakPolarHBondContact O-CD1 3.32Å; S110-I114 WeakPolarHBondContact O-CG1 3.47Å; S110-I114 PolarHBondContact O-N 3.43Å; L111-I114 PolarHBondContact O-N 3.4Å; I112-I114 VanDerWaalsContact C-N 3.34Å; I112-I114 PolarHBondContact O-N 3.04Å; I114-T116 PolarHBondContact O-N 3.14Å; I114-T116 VanDerWaalsContact O-N 3.13Å; I114-N117 PolarHBondContact O-N 2.94Å; I114-N117 VanDerWaalsContact O-N 3.16Å; I114-F127 HydrophobicContact CD1-CZ 4.3Å; I114-F127 HydrophobicContact CG1-CZ 4.11Å
115	S	90.5	Very high	93.3	Very high	54 Å²	54	45.1 Å²	45.1	38%	0.378	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-8.6	179.4	72.4	0	0	0	0	114.1	M18 L111 I112 Y113 N117	M18-S115 VanDerWaalsContact SD-C 3.6Å; M18-S115 VanDerWaalsContact SD-CA 3.57Å; L111-S115 PolarHBondContact O-N 3.33Å; I112-S115 PolarHBondContact O-N 3.01Å; I112-S115 PolarHBondContact O-OG 2.7Å; Y113-S115 VanDerWaalsContact C-N 3.27Å; Y113-S115 PolarHBondContact O-N 3.41Å; S115-N117 VanDerWaalsContact C-N 3.33Å
116	T	89.4	Confident	93.3	Very high	25 Å²	25	43.7 Å²	43.7	15%	0.153	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	5.4	174.9	66.9	0	0	0	0	114	Y113 I114 V169 R172	Y113-T116 PolarHBondContact O-N 2.85Å; Y113-T116 VanDerWaalsContact O-N 3.12Å; Y113-T116 PolarHBondContact O-OG1 3.35Å; I114-T116 PolarHBondContact O-N 3.14Å; I114-T116 VanDerWaalsContact O-N 3.13Å; T116-V169 HydrophobicContact CG2-CB 4.45Å; T116-V169 HydrophobicContact CG2-CG1 4.47Å; T116-V169 HydrophobicContact CG2-CG2 3.92Å; T116-R172 HydrophobicContact CG2-CG 4.36Å
117	N	87.4	Confident	93.3	Very high	77 Å²	77	43.7 Å²	43.7	41%	0.412	24%	0.241	S	C	.	.			trans	48.9	60.8	-174	-159.9	-0.9	0	0	0	113	T13 I114 S115	T13-N117 PolarHBondContact OG1-ND2 3.06Å; T13-N117 VanDerWaalsContact OG1-ND2 3.08Å; T13-N117 PolarHBondContact OG1-OD1 3.3Å; I114-N117 PolarHBondContact O-N 2.94Å; I114-N117 VanDerWaalsContact O-N 3.16Å; S115-N117 VanDerWaalsContact C-N 3.33Å
118	P	90.8	Very high	93.2	Very high	14 Å²	14	48.7 Å²	48.7	9%	0.091	26%	0.259	C	S	.	.			trans	-72.7	162.4	-178.1	32.6	-35.5	0	0	0	111.3	V25 Y113 A120 A123	V25-P118 HydrophobicContact CG1-CG 4.32Å; Y113-P118 HydrophobicContact CD1-CB 4.21Å; Y113-P118 HydrophobicContact CD1-CG 3.86Å; Y113-P118 HydrophobicContact CE1-CB 3.54Å; Y113-P118 HydrophobicContact CE1-CG 3.61Å; Y113-P118 HydrophobicContact CE2-CB 3.93Å; Y113-P118 HydrophobicContact CG-CG 4.43Å; Y113-P118 VanDerWaalsContact O-CD 3.31Å; Y113-P118 WeakPolarHBondContact O-CD 3.33Å; Y113-P118 WeakPolarHBondContact OH-CB 3.39Å; P118-A120 PolarHBondContact O-N 3.49Å; P118-A123 HydrophobicContact CB-CB 4.49Å; P118-A123 HydrophobicContact CG-CB 4.13Å
119	N	91.8	Very high	93.2	Very high	98 Å²	98	47 Å²	47	52%	0.524	25%	0.253	S	S	.	.			trans	-58.7	127.3	172.9	-175.5	-0.6	0	0	0	110.9	D121 V122 A123	N119-D121 PolarHBondContact O-N 2.92Å; N119-D121 PolarHBondContact OD1-N 3.08Å; N119-V122 HydrophobicContact CB-CB 4.4Å; N119-V122 HydrophobicContact CB-CG2 4.2Å; N119-V122 PolarHBondContact O-N 2.96Å; N119-A123 WeakPolarHBondContact O-CB 3.45Å; N119-A123 PolarHBondContact O-N 3.13Å
120	A	90.9	Very high	93.1	Very high	28 Å²	28	45.3 Å²	45.3	23%	0.231	25%	0.245	C	C	.	.	H	α-helix	trans	-56.8	-46.1	-174.9	0	0	0	0	0	113.6	P24 V25 P118 V122 A123 C124	P24-A120 HydrophobicContact CG-CB 4.09Å; V25-A120 HydrophobicContact CG2-CB 3.96Å; P118-A120 PolarHBondContact O-N 3.49Å; A120-V122 PolarHBondContact O-N 3.44Å; A120-A123 PolarHBondContact O-N 2.88Å; A120-C124 VanDerWaalsContact O-CB 3.3Å; A120-C124 WeakPolarHBondContact O-CB 3.35Å; A120-C124 PolarHBondContact O-N 3.16Å; A120-C124 PolarHBondContact O-SG 3.32Å
121	D	92.6	Very high	93.1	Very high	115 Å²	115	45.3 Å²	45.3	62%	0.615	25%	0.245	S	C	*	.	H	α-helix	trans	-64.3	-46	-176.8	-64.4	-30.1	0	0	0	111.2	N119 C124 I125	N119-D121 PolarHBondContact O-N 2.92Å; N119-D121 PolarHBondContact OD1-N 3.08Å; D121-C124 PolarHBondContact O-N 3.47Å; D121-I125 WeakPolarHBondContact O-CD1 3.5Å; D121-I125 VanDerWaalsContact O-CG1 3.24Å; D121-I125 WeakPolarHBondContact O-CG1 3.32Å; D121-I125 PolarHBondContact O-N 3.11Å
122	V	93.4	Very high	93.1	Very high	55 Å²	55	45.2 Å²	45.2	33%	0.333	25%	0.247	S	C	.	.	H	α-helix	trans	-64.6	-47.7	-179.9	-179.6	0	0	0	0	110.3	N119 A120 C124 I125 L126	N119-V122 HydrophobicContact CB-CB 4.4Å; N119-V122 HydrophobicContact CB-CG2 4.2Å; N119-V122 PolarHBondContact O-N 2.96Å; A120-V122 PolarHBondContact O-N 3.44Å; V122-C124 PolarHBondContact O-N 2.84Å; V122-I125 PolarHBondContact O-N 3.49Å; V122-L126 HydrophobicContact CG1-CD1 3.95Å; V122-L126 HydrophobicContact CG1-CG 4.42Å; V122-L126 VanDerWaalsContact O-CG 3.26Å; V122-L126 WeakPolarHBondContact O-CG 3.49Å; V122-L126 PolarHBondContact O-N 3.49Å
123	A	93.7	Very high	93	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-61.4	-45	179.8	0	0	0	0	0	111.9	V25 Y113 P118 N119 A120 I125 L126 F127	V25-A123 HydrophobicContact CG1-CB 3.67Å; V25-A123 HydrophobicContact CG2-CB 4.3Å; Y113-A123 HydrophobicContact CE1-CB 3.81Å; P118-A123 HydrophobicContact CB-CB 4.49Å; P118-A123 HydrophobicContact CG-CB 4.13Å; N119-A123 WeakPolarHBondContact O-CB 3.45Å; N119-A123 PolarHBondContact O-N 3.13Å; A120-A123 PolarHBondContact O-N 2.88Å; A123-I125 VanDerWaalsContact C-N 3.35Å; A123-I125 PolarHBondContact O-N 3.3Å; A123-L126 PolarHBondContact O-N 3.38Å; A123-F127 HydrophobicContact CB-CE2 4.21Å; A123-F127 HydrophobicContact CB-CZ 4.34Å; A123-F127 VanDerWaalsContact O-CD2 3.27Å; A123-F127 WeakPolarHBondContact O-CD2 3.44Å; A123-F127 WeakPolarHBondContact O-CG 3.49Å; A123-F127 PolarHBondContact O-N 2.97Å
124	C	94.1	Very high	92.8	Very high	17 Å²	17	42.1 Å²	42.1	12%	0.115	23%	0.233	C	C	.	.	H	α-helix	trans	-62.1	-41.3	178	-70.2	0	0	0	0	112.1	C28 A120 D121 V122 F127 R128	C28-C124 HydrophobicContact CB-CB 4.29Å; C28-C124 WeakPolarHBondContact CB-SG 3.3Å; C28-C124 VanDerWaalsContact SG-SG 3.65Å; A120-C124 VanDerWaalsContact O-CB 3.3Å; A120-C124 WeakPolarHBondContact O-CB 3.35Å; A120-C124 PolarHBondContact O-N 3.16Å; A120-C124 PolarHBondContact O-SG 3.32Å; D121-C124 PolarHBondContact O-N 3.47Å; V122-C124 PolarHBondContact O-N 2.84Å; C124-F127 PolarHBondContact O-N 3.38Å; C124-R128 WeakPolarHBondContact O-CB 3.38Å; C124-R128 WeakPolarHBondContact O-CD 3.25Å; C124-R128 WeakPolarHBondContact O-CG 3.4Å; C124-R128 PolarHBondContact O-N 3.01Å; C124-R128 VanDerWaalsContact O-N 3.08Å
125	I	95.9	Very high	92.7	Very high	98 Å²	98	44.7 Å²	44.7	50%	0.503	25%	0.246	S	C	.	.	H	α-helix	trans	-63.7	-45.8	176	-70	165.6	0	0	0	110.5	D121 V122 A123 F127 R128 V129	D121-I125 WeakPolarHBondContact O-CD1 3.5Å; D121-I125 VanDerWaalsContact O-CG1 3.24Å; D121-I125 WeakPolarHBondContact O-CG1 3.32Å; D121-I125 PolarHBondContact O-N 3.11Å; V122-I125 PolarHBondContact O-N 3.49Å; A123-I125 VanDerWaalsContact C-N 3.35Å; A123-I125 PolarHBondContact O-N 3.3Å; I125-F127 VanDerWaalsContact C-N 3.34Å; I125-F127 PolarHBondContact O-N 3.37Å; I125-R128 PolarHBondContact O-N 3.33Å; I125-V129 HydrophobicContact CG2-CG2 4.14Å; I125-V129 VanDerWaalsContact O-CG2 3.31Å; I125-V129 WeakPolarHBondContact O-CG2 3.3Å; I125-V129 PolarHBondContact O-N 2.94Å
126	L	94.5	Very high	92.7	Very high	26 Å²	26	46.1 Å²	46.1	14%	0.136	25%	0.249	C	C	.	.	H	α-helix	trans	-57.9	-46.2	178.3	-70	167.8	0	0	0	111.4	Y113 V122 A123 R128 V129 A130 I161 Y164	Y113-L126 HydrophobicContact CE1-CD1 4.35Å; V122-L126 HydrophobicContact CG1-CD1 3.95Å; V122-L126 HydrophobicContact CG1-CG 4.42Å; V122-L126 VanDerWaalsContact O-CG 3.26Å; V122-L126 WeakPolarHBondContact O-CG 3.49Å; V122-L126 PolarHBondContact O-N 3.49Å; A123-L126 PolarHBondContact O-N 3.38Å; L126-R128 PolarHBondContact O-N 3.1Å; L126-V129 PolarHBondContact O-N 3.46Å; L126-A130 WeakPolarHBondContact O-CB 3.39Å; L126-A130 PolarHBondContact O-N 3.18Å; L126-I161 HydrophobicContact CB-CG2 4.14Å; L126-I161 HydrophobicContact CD2-CG1 4.02Å; L126-I161 HydrophobicContact CD2-CG2 4.1Å; L126-Y164 HydrophobicContact CD1-CD1 3.69Å; L126-Y164 HydrophobicContact CD1-CE1 3.42Å; L126-Y164 VanDerWaalsContact CD1-CE1 3.42Å; L126-Y164 HydrophobicContact CD2-CD1 4.32Å
127	F	95.4	Very high	92.5	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-64.9	-39	179.5	-57.7	-27.9	0	0	0	113	V25 C28 W32 Y106 Y113 I114 A123 C124 I125 S131 M165	V25-F127 HydrophobicContact CG1-CE2 3.77Å; V25-F127 HydrophobicContact CG1-CZ 4.24Å; C28-F127 HydrophobicContact CB-CD2 4.38Å; W32-F127 HydrophobicContact CB-CB 4.48Å; Y106-F127 HydrophobicContact CE2-CD1 4.36Å; Y106-F127 WeakPolarHBondContact OH-CA 3.49Å; Y106-F127 VanDerWaalsContact OH-CD1 3.23Å; Y106-F127 WeakPolarHBondContact OH-CD1 3.45Å; Y113-F127 HydrophobicContact CD1-CE1 4.45Å; Y113-F127 HydrophobicContact CD1-CZ 4.31Å; I114-F127 HydrophobicContact CD1-CZ 4.3Å; I114-F127 HydrophobicContact CG1-CZ 4.11Å; A123-F127 HydrophobicContact CB-CE2 4.21Å; A123-F127 HydrophobicContact CB-CZ 4.34Å; A123-F127 VanDerWaalsContact O-CD2 3.27Å; A123-F127 WeakPolarHBondContact O-CD2 3.44Å; A123-F127 WeakPolarHBondContact O-CG 3.49Å; A123-F127 PolarHBondContact O-N 2.97Å; C124-F127 PolarHBondContact O-N 3.38Å; I125-F127 VanDerWaalsContact C-N 3.34Å; I125-F127 PolarHBondContact O-N 3.37Å; F127-S131 VanDerWaalsContact O-CB 3.29Å; F127-S131 WeakPolarHBondContact O-CB 3.3Å; F127-S131 PolarHBondContact O-N 3.41Å; F127-S131 PolarHBondContact O-OG 2.72Å; F127-M165 HydrophobicContact CE1-SD 3.98Å
128	R	95.7	Very high	92.4	Very high	134 Å²	134	41.8 Å²	41.8	51%	0.506	23%	0.225	S	C	.	.	H	α-helix	trans	-62.7	-52.9	175.2	-71.9	167.2	-171.5	-161.3	3.8	111.2	W32 C124 I125 L126 S131 V132	W32-R128 HydrophobicContact CZ2-CB 4.13Å; W32-R128 HydrophobicContact CZ2-CG 3.61Å; C124-R128 WeakPolarHBondContact O-CB 3.38Å; C124-R128 WeakPolarHBondContact O-CD 3.25Å; C124-R128 WeakPolarHBondContact O-CG 3.4Å; C124-R128 PolarHBondContact O-N 3.01Å; C124-R128 VanDerWaalsContact O-N 3.08Å; I125-R128 PolarHBondContact O-N 3.33Å; L126-R128 PolarHBondContact O-N 3.1Å; R128-S131 PolarHBondContact O-N 3.21Å; R128-V132 WeakPolarHBondContact O-CB 3.27Å; R128-V132 VanDerWaalsContact O-CG2 3.28Å; R128-V132 WeakPolarHBondContact O-CG2 3.39Å; R128-V132 PolarHBondContact O-N 3.4Å
129	V	94.9	Very high	92.1	Very high	69 Å²	69	45.3 Å²	45.3	42%	0.418	24%	0.243	S	C	.	.	H	α-helix	trans	-63.4	-45.5	-177.2	174.6	0	0	0	0	110.6	I125 L126 S131 A133 T157 I161	I125-V129 HydrophobicContact CG2-CG2 4.14Å; I125-V129 VanDerWaalsContact O-CG2 3.31Å; I125-V129 WeakPolarHBondContact O-CG2 3.3Å; I125-V129 PolarHBondContact O-N 2.94Å; L126-V129 PolarHBondContact O-N 3.46Å; V129-S131 VanDerWaalsContact C-N 3.34Å; V129-S131 PolarHBondContact O-N 2.83Å; V129-A133 WeakPolarHBondContact O-CB 3.39Å; V129-A133 PolarHBondContact O-N 2.96Å; V129-T157 HydrophobicContact CG1-CG2 3.68Å; V129-I161 HydrophobicContact CB-CD1 4.14Å; V129-I161 HydrophobicContact CG1-CD1 3.88Å
130	A	94.1	Very high	91.7	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-52.9	-50.8	174.1	0	0	0	0	0	111.9	Y106 L126 A133 R134 M158 I161	Y106-A130 HydrophobicContact CD2-CB 4.22Å; Y106-A130 HydrophobicContact CE2-CB 3.52Å; L126-A130 WeakPolarHBondContact O-CB 3.39Å; L126-A130 PolarHBondContact O-N 3.18Å; A130-A133 PolarHBondContact O-N 2.97Å; A130-R134 WeakPolarHBondContact O-CG 3.48Å; A130-R134 PolarHBondContact O-N 3.35Å; A130-R134 VanDerWaalsContact O-N 3.14Å; A130-M158 HydrophobicContact CB-CE 4Å; A130-M158 HydrophobicContact CB-SD 3.38Å; A130-M158 WeakPolarHBondContact CB-SD 3.41Å; A130-I161 HydrophobicContact CB-CD1 3.93Å; A130-I161 HydrophobicContact CB-CG2 4.32Å
131	S	93.9	Very high	91.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-69.6	-45.7	-175.3	-57.1	0	0	0	0	112.5	W32 F127 R128 V129 A133 R134 I135	W32-S131 WeakPolarHBondContact CB-OG 3.27Å; F127-S131 VanDerWaalsContact O-CB 3.29Å; F127-S131 WeakPolarHBondContact O-CB 3.3Å; F127-S131 PolarHBondContact O-N 3.41Å; F127-S131 PolarHBondContact O-OG 2.72Å; R128-S131 PolarHBondContact O-N 3.21Å; V129-S131 VanDerWaalsContact C-N 3.34Å; V129-S131 PolarHBondContact O-N 2.83Å; S131-A133 PolarHBondContact O-N 3.5Å; S131-R134 PolarHBondContact O-N 3.14Å; S131-I135 WeakPolarHBondContact O-CG1 3.22Å; S131-I135 PolarHBondContact O-N 3.42Å
132	V	93.6	Very high	90.2	Very high	64 Å²	64	36.5 Å²	36.5	39%	0.388	19%	0.193	S	C	.	.	H	α-helix	trans	-62	-43.5	176.5	172	0	0	0	0	110.8	W32 R128 R134 I135 I136	W32-V132 HydrophobicContact CH2-CG2 4.01Å; W32-V132 HydrophobicContact CZ3-CG2 4.2Å; R128-V132 WeakPolarHBondContact O-CB 3.27Å; R128-V132 VanDerWaalsContact O-CG2 3.28Å; R128-V132 WeakPolarHBondContact O-CG2 3.39Å; R128-V132 PolarHBondContact O-N 3.4Å; V132-R134 VanDerWaalsContact C-N 3.28Å; V132-R134 PolarHBondContact O-N 2.82Å; V132-I135 PolarHBondContact O-N 2.93Å; V132-I135 VanDerWaalsContact O-N 3.16Å; V132-I136 HydrophobicContact CG1-CD1 3.76Å; V132-I136 HydrophobicContact CG1-CG1 4.33Å; V132-I136 WeakPolarHBondContact O-CG1 3.44Å; V132-I136 PolarHBondContact O-N 2.89Å
133	A	92.8	Very high	89.3	Confident	11 Å²	11	38.6 Å²	38.6	9%	0.091	21%	0.206	C	C	.	.	H	α-helix	trans	-58.2	-40	176.4	0	0	0	0	0	111.8	V129 A130 S131 I136 H137 T157	V129-A133 WeakPolarHBondContact O-CB 3.39Å; V129-A133 PolarHBondContact O-N 2.96Å; A130-A133 PolarHBondContact O-N 2.97Å; S131-A133 PolarHBondContact O-N 3.5Å; A133-I136 PolarHBondContact O-N 3.16Å; A133-H137 WeakPolarHBondContact O-CB 3.31Å; A133-H137 PolarHBondContact O-N 3.25Å; A133-T157 HydrophobicContact CB-CG2 3.86Å
134	R	90.9	Very high	88.6	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-70.4	-36.2	176.1	-68.6	-50.8	-56.9	170.8	-4.9	113.6	L36 N98 D99 I103 A130 S131 V132 H137 T138 M158	L36-R134 HydrophobicContact CD2-CB 3.86Å; L36-R134 HydrophobicContact CD2-CG 4.37Å; N98-R134 PolarHBondContact O-NH2 3.3Å; N98-R134 PolarHBondContact OD1-NH1 3.01Å; N98-R134 PolarHBondContact OD1-NH2 3.32Å; D99-R134 VanDerWaalsContact CA-NH2 3.32Å; D99-R134 IonicContact OD1-CZ 3.37Å; D99-R134 IonicContact OD1-NE 3.32Å; D99-R134 PolarHBondContact OD1-NE 3.23Å; D99-R134 IonicContact OD1-NH2 2.66Å; D99-R134 PolarHBondContact OD1-NH2 2.83Å; I103-R134 HydrophobicContact CD1-CB 4.42Å; I103-R134 HydrophobicContact CD1-CG 4.29Å; I103-R134 HydrophobicContact CG1-CG 4.07Å; A130-R134 WeakPolarHBondContact O-CG 3.48Å; A130-R134 PolarHBondContact O-N 3.35Å; A130-R134 VanDerWaalsContact O-N 3.14Å; S131-R134 PolarHBondContact O-N 3.14Å; V132-R134 VanDerWaalsContact C-N 3.28Å; V132-R134 PolarHBondContact O-N 2.82Å; R134-H137 PolarHBondContact NH2-ND1 3.23Å; R134-H137 WeakPolarHBondContact O-CB 3.31Å; R134-H137 PolarHBondContact O-N 3.08Å; R134-T138 PolarHBondContact O-N 3.01Å; R134-T138 PolarHBondContact O-OG1 3.48Å; R134-M158 HydrophobicContact CG-CB 4.39Å; R134-M158 HydrophobicContact CG-CE 3.58Å; R134-M158 HydrophobicContact CG-CG 4.12Å; R134-M158 HydrophobicContact CG-SD 4.23Å
135	I	90.9	Very high	87.7	Confident	54 Å²	54	49.5 Å²	49.5	28%	0.277	26%	0.256	S	S	.	.	H	α-helix	trans	-62.9	-47.8	173.3	-65.4	165.3	0	0	0	109.4	V35 K39 S131 V132 H137 T138 L139	V35-I135 HydrophobicContact CG1-CD1 3.96Å; K39-I135 HydrophobicContact CD-CG1 3.99Å; S131-I135 WeakPolarHBondContact O-CG1 3.22Å; S131-I135 PolarHBondContact O-N 3.42Å; V132-I135 PolarHBondContact O-N 2.93Å; V132-I135 VanDerWaalsContact O-N 3.16Å; I135-H137 VanDerWaalsContact C-N 3.32Å; I135-H137 PolarHBondContact O-N 2.77Å; I135-T138 WeakPolarHBondContact CA-OG1 2.95Å; I135-T138 PolarHBondContact O-N 2.87Å; I135-T138 VanDerWaalsContact O-N 3.1Å; I135-T138 PolarHBondContact O-OG1 2.79Å; I135-L139 HydrophobicContact CG2-CD1 4.15Å; I135-L139 HydrophobicContact CG2-CG 4.46Å; I135-L139 WeakPolarHBondContact O-CG 3.1Å; I135-L139 PolarHBondContact O-N 2.87Å
136	I	89.3	Confident	86.8	Confident	83 Å²	83	47.5 Å²	47.5	43%	0.426	25%	0.248	S	C	.	.	H	α-helix	trans	-58.4	-44.4	175.6	-67.2	169.6	0	0	0	110.7	V132 A133 T138 L139 V140	V132-I136 HydrophobicContact CG1-CD1 3.76Å; V132-I136 HydrophobicContact CG1-CG1 4.33Å; V132-I136 WeakPolarHBondContact O-CG1 3.44Å; V132-I136 PolarHBondContact O-N 2.89Å; A133-I136 PolarHBondContact O-N 3.16Å; I136-T138 VanDerWaalsContact C-N 3.33Å; I136-T138 PolarHBondContact O-N 3.5Å; I136-L139 PolarHBondContact O-N 3.48Å; I136-V140 HydrophobicContact CG2-CG2 4.07Å; I136-V140 WeakPolarHBondContact O-CB 3.36Å; I136-V140 VanDerWaalsContact O-CG2 3.31Å; I136-V140 WeakPolarHBondContact O-CG2 3.4Å; I136-V140 PolarHBondContact O-N 3.22Å
137	H	86.7	Confident	85.9	Confident	2 Å²	2	51 Å²	51	1%	0.009	27%	0.272	C	S	.	.	H	α-helix	trans	-56	-46.9	175.1	-177.9	-90.8	0	0	0	111.5	N98 A133 R134 I135 V140 Y141 R151 A154	N98-H137 PolarHBondContact OD1-CE1 2.91Å; N98-H137 PolarHBondContact OD1-NE2 2.91Å; A133-H137 WeakPolarHBondContact O-CB 3.31Å; A133-H137 PolarHBondContact O-N 3.25Å; R134-H137 PolarHBondContact NH2-ND1 3.23Å; R134-H137 WeakPolarHBondContact O-CB 3.31Å; R134-H137 PolarHBondContact O-N 3.08Å; I135-H137 VanDerWaalsContact C-N 3.32Å; I135-H137 PolarHBondContact O-N 2.77Å; H137-V140 PolarHBondContact O-N 2.95Å; H137-Y141 AromaticContact CE1-CD2 3.62Å; H137-Y141 AromaticContact NE2-CD2 3.71Å; H137-Y141 WeakPolarHBondContact O-CB 3.27Å; H137-Y141 PolarHBondContact O-N 2.68Å; H137-R151 WeakPolarHBondContact NE2-CG 3.47Å; H137-A154 HydrophobicContact CB-CB 3.71Å
138	T	84.7	Confident	84.8	Confident	10 Å²	10	58 Å²	58	6%	0.061	31%	0.305	C	S	.	.	H	α-helix	trans	-63.8	-41.5	178.1	52.1	0	0	0	0	112.7	K39 M43 D99 R134 I135 I136 Y141 A142	K39-T138 HydrophobicContact CD-CG2 4.02Å; K39-T138 HydrophobicContact CG-CG2 4.41Å; M43-T138 HydrophobicContact CE-CG2 4.44Å; M43-T138 HydrophobicContact CG-CG2 4.16Å; M43-T138 HydrophobicContact SD-CG2 4.05Å; D99-T138 VanDerWaalsContact OD2-CG2 3.25Å; D99-T138 WeakPolarHBondContact OD2-CG2 3.12Å; R134-T138 PolarHBondContact O-N 3.01Å; R134-T138 PolarHBondContact O-OG1 3.48Å; I135-T138 WeakPolarHBondContact CA-OG1 2.95Å; I135-T138 PolarHBondContact O-N 2.87Å; I135-T138 VanDerWaalsContact O-N 3.1Å; I135-T138 PolarHBondContact O-OG1 2.79Å; I136-T138 VanDerWaalsContact C-N 3.33Å; I136-T138 PolarHBondContact O-N 3.5Å; T138-Y141 PolarHBondContact O-N 3.23Å; T138-A142 VanDerWaalsContact O-CB 3.27Å; T138-A142 WeakPolarHBondContact O-CB 3.33Å; T138-A142 PolarHBondContact O-N 3.35Å
139	L	85.2	Confident	83.8	Confident	88 Å²	88	55.6 Å²	55.6	46%	0.461	31%	0.307	S	S	.	.	I	π-helix	trans	-63.7	-47.2	178.2	-67.5	175.4	0	0	0	111.3	I135 I136 V143 Y144	I135-L139 HydrophobicContact CG2-CD1 4.15Å; I135-L139 HydrophobicContact CG2-CG 4.46Å; I135-L139 WeakPolarHBondContact O-CG 3.1Å; I135-L139 PolarHBondContact O-N 2.87Å; I136-L139 PolarHBondContact O-N 3.48Å; L139-V143 HydrophobicContact CD2-CG2 4.11Å; L139-V143 WeakPolarHBondContact O-CB 3.37Å; L139-V143 PolarHBondContact O-N 2.89Å; L139-V143 VanDerWaalsContact O-N 3.16Å; L139-Y144 PolarHBondContact O-N 3.09Å
140	V	83.3	Confident	82.9	Confident	24 Å²	24	53.8 Å²	53.8	15%	0.145	30%	0.297	C	S	.	.	I	π-helix	trans	-73.6	-26.8	-177.7	171.1	0	0	0	0	113	I136 H137 Y144 P145 V146 S150	I136-V140 HydrophobicContact CG2-CG2 4.07Å; I136-V140 WeakPolarHBondContact O-CB 3.36Å; I136-V140 VanDerWaalsContact O-CG2 3.31Å; I136-V140 WeakPolarHBondContact O-CG2 3.4Å; I136-V140 PolarHBondContact O-N 3.22Å; H137-V140 PolarHBondContact O-N 2.95Å; V140-Y144 CarbonylContact C-O 3.5Å; V140-Y144 WeakPolarHBondContact CA-O 3.36Å; V140-Y144 CarbonylContact O-C 3.55Å; V140-P145 WeakPolarHBondContact O-CA 3.27Å; V140-V146 HydrophobicContact CB-CG2 4.41Å; V140-V146 HydrophobicContact CG1-CB 3.62Å; V140-V146 HydrophobicContact CG1-CG2 3.8Å; V140-V146 HydrophobicContact CG2-CG2 4.17Å; V140-V146 PolarHBondContact O-N 3.24Å; V140-S150 WeakPolarHBondContact CG1-OG 3.28Å
141	Y	76.9	Confident	81.9	Confident	16 Å²	16	57.5 Å²	57.5	6%	0.063	31%	0.311	C	S	.	.	I	π-helix	trans	-88.3	-50.6	179.5	-162.3	-59.6	0	0	0	111.8	R91 R94 A95 H137 T138 R151	R91-Y141 WeakPolarHBondContact CD-O 3.37Å; R91-Y141 HydrophobicContact CG-CD1 3.86Å; R91-Y141 HydrophobicContact CG-CE1 3.65Å; R91-Y141 WeakPolarHBondContact O-CE1 3.46Å; R94-Y141 HydrophobicContact CB-CE1 4.21Å; R94-Y141 VanDerWaalsContact CB-OH 3.3Å; R94-Y141 WeakPolarHBondContact CB-OH 3.22Å; A95-Y141 HydrophobicContact CB-CD1 3.42Å; A95-Y141 VanDerWaalsContact CB-CD1 3.42Å; A95-Y141 HydrophobicContact CB-CE1 3.88Å; A95-Y141 HydrophobicContact CB-CG 3.84Å; H137-Y141 AromaticContact CE1-CD2 3.62Å; H137-Y141 AromaticContact NE2-CD2 3.71Å; H137-Y141 WeakPolarHBondContact O-CB 3.27Å; H137-Y141 PolarHBondContact O-N 2.68Å; T138-Y141 PolarHBondContact O-N 3.23Å; Y141-R151 HydrophobicContact CD2-CG 4Å; Y141-R151 VanDerWaalsContact CD2-NH2 3.26Å; Y141-R151 HydrophobicContact CE2-CG 4.39Å; Y141-R151 VanDerWaalsContact CZ-NH1 3.35Å; Y141-R151 VanDerWaalsContact CZ-NH2 3.28Å; Y141-R151 PolarHBondContact OH-NH1 2.97Å
142	A	75.2	Confident	81.3	Confident	15 Å²	15	61.9 Å²	61.9	12%	0.124	33%	0.334	C	S	.	.	I	π-helix	trans	-97.2	-39	-166.6	0	0	0	0	0	113.3	M43 V92 A95 T138	M43-A142 HydrophobicContact CE-CB 3.95Å; M43-A142 HydrophobicContact SD-CB 4.29Å; V92-A142 HydrophobicContact CG2-CB 4.02Å; A95-A142 HydrophobicContact CB-CB 4.34Å; T138-A142 VanDerWaalsContact O-CB 3.27Å; T138-A142 WeakPolarHBondContact O-CB 3.33Å; T138-A142 PolarHBondContact O-N 3.35Å
143	V	74.6	Confident	80.7	Confident	99 Å²	99	64 Å²	64	60%	0.6	34%	0.342	S	S	*	.	I	π-helix	trans	-91.7	-55	-172.8	-176.7	0	0	0	0	111	L139	L139-V143 HydrophobicContact CD2-CG2 4.11Å; L139-V143 WeakPolarHBondContact O-CB 3.37Å; L139-V143 PolarHBondContact O-N 2.89Å; L139-V143 VanDerWaalsContact O-N 3.16Å
144	Y	77.4	Confident	80.2	Confident	172 Å²	172	63.8 Å²	63.8	68%	0.675	34%	0.341	S	S	*	.	S	Bend	trans	-128	97.4	-178.7	-172.4	-102.8	0	0	0	109.9	L139 V140 V146	L139-Y144 PolarHBondContact O-N 3.09Å; V140-Y144 CarbonylContact C-O 3.5Å; V140-Y144 WeakPolarHBondContact CA-O 3.36Å; V140-Y144 CarbonylContact O-C 3.55Å; Y144-V146 HydrophobicContact CD1-CG2 3.64Å; Y144-V146 HydrophobicContact CE1-CG2 4Å; Y144-V146 PolarHBondContact O-N 3.28Å
145	P	75.3	Confident	79.7	Confident	75 Å²	75	67 Å²	67	49%	0.487	36%	0.355	S	S	.	.			trans	-62.5	95.7	-178.3	-23.1	34.6	0	0	0	112	V140	V140-P145 WeakPolarHBondContact O-CA 3.27Å
146	V	77.6	Confident	79.6	Confident	55 Å²	55	66 Å²	66	33%	0.333	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-83.3	139.8	169.9	-171.7	0	0	0	0	108.3	V140 Y144	V140-V146 HydrophobicContact CB-CG2 4.41Å; V140-V146 HydrophobicContact CG1-CB 3.62Å; V140-V146 HydrophobicContact CG1-CG2 3.8Å; V140-V146 HydrophobicContact CG2-CG2 4.17Å; V140-V146 PolarHBondContact O-N 3.24Å; Y144-V146 HydrophobicContact CD1-CG2 3.64Å; Y144-V146 HydrophobicContact CE1-CG2 4Å; Y144-V146 PolarHBondContact O-N 3.28Å
147	P	75	Confident	79.6	Confident	101 Å²	101	64.3 Å²	64.3	66%	0.656	35%	0.348	S	S	*	.	P	Polyproline II helix	trans	-54.7	158.3	170.6	21.4	-32.6	0	0	0	112.2	S150	P147-S150 PolarHBondContact O-OG 3.04Å
148	Q	73.7	Confident	79.9	Confident	147 Å²	147	64.2 Å²	64.2	69%	0.687	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	137.6	167.5	-58.4	-177	9.5	0	0	108
149	P	74	Confident	80.2	Confident	83 Å²	83	66.6 Å²	66.6	54%	0.539	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	cis	-108.1	-2.3	33.7	38.3	-36.6	0	0	0	116.3	R151 I152 L153	P149-R151 VanDerWaalsContact C-N 3.27Å; P149-R151 PolarHBondContact O-N 3.45Å; P149-R151 VanDerWaalsContact O-N 3.13Å; P149-I152 PolarHBondContact O-N 2.99Å; P149-L153 PolarHBondContact O-N 3.15Å; P149-L153 VanDerWaalsContact O-N 3.08Å
150	S	74.9	Confident	80.7	Confident	31 Å²	31	68 Å²	68	22%	0.217	37%	0.367	C	S	.	.	H	α-helix	trans	-48.7	-43.2	-174.1	55.2	0	0	0	0	114.4	V140 P147 L153 A154	V140-S150 WeakPolarHBondContact CG1-OG 3.28Å; P147-S150 PolarHBondContact O-OG 3.04Å; S150-L153 PolarHBondContact O-N 3.32Å; S150-A154 PolarHBondContact O-N 3.31Å; S150-A154 VanDerWaalsContact O-N 3.11Å
151	R	74.6	Confident	81.2	Confident	77 Å²	77	67.6 Å²	67.6	29%	0.291	36%	0.363	S	S	.	.	H	α-helix	trans	-62.4	-44.5	176.8	-176.1	-174.5	-66	-170.4	-9.2	113	H137 Y141 P149 L153 A154 F155	H137-R151 WeakPolarHBondContact NE2-CG 3.47Å; Y141-R151 HydrophobicContact CD2-CG 4Å; Y141-R151 VanDerWaalsContact CD2-NH2 3.26Å; Y141-R151 HydrophobicContact CE2-CG 4.39Å; Y141-R151 VanDerWaalsContact CZ-NH1 3.35Å; Y141-R151 VanDerWaalsContact CZ-NH2 3.28Å; Y141-R151 PolarHBondContact OH-NH1 2.97Å; P149-R151 VanDerWaalsContact C-N 3.27Å; P149-R151 PolarHBondContact O-N 3.45Å; P149-R151 VanDerWaalsContact O-N 3.13Å; R151-L153 VanDerWaalsContact C-N 3.34Å; R151-A154 PolarHBondContact O-N 3.19Å; R151-F155 WeakPolarHBondContact O-CB 3.5Å; R151-F155 PolarHBondContact O-N 3.35Å
152	I	81.5	Confident	82.1	Confident	93 Å²	93	67.6 Å²	67.6	48%	0.477	37%	0.365	S	S	.	.	H	α-helix	trans	-66.7	-43	-177.8	-62.8	174.3	0	0	0	109.1	P149 F155 A156	P149-I152 PolarHBondContact O-N 2.99Å; I152-F155 PolarHBondContact O-N 3.04Å; I152-A156 WeakPolarHBondContact O-CB 3.43Å; I152-A156 PolarHBondContact O-N 2.8Å
153	L	80.6	Confident	83.1	Confident	107 Å²	107	73.2 Å²	73.2	56%	0.56	39%	0.387	S	S	*	.	H	α-helix	trans	-59.3	-50.1	177.1	-65.9	174.5	0	0	0	111.3	P149 S150 R151 F155 A156 T157	P149-L153 PolarHBondContact O-N 3.15Å; P149-L153 VanDerWaalsContact O-N 3.08Å; S150-L153 PolarHBondContact O-N 3.32Å; R151-L153 VanDerWaalsContact C-N 3.34Å; L153-F155 VanDerWaalsContact C-N 3.32Å; L153-F155 PolarHBondContact O-N 3.1Å; L153-A156 PolarHBondContact O-N 3.12Å; L153-T157 PolarHBondContact O-N 2.83Å; L153-T157 PolarHBondContact O-OG1 3.07Å
154	A	81	Confident	84.1	Confident	8 Å²	8	73.4 Å²	73.4	7%	0.066	38%	0.378	C	S	.	.	H	α-helix	trans	-67.1	-32	-178.6	0	0	0	0	0	113.4	H137 S150 R151	H137-A154 HydrophobicContact CB-CB 3.71Å; S150-A154 PolarHBondContact O-N 3.31Å; S150-A154 VanDerWaalsContact O-N 3.11Å; R151-A154 PolarHBondContact O-N 3.19Å
155	F	81.1	Confident	84.9	Confident	68 Å²	68	65.2 Å²	65.2	30%	0.298	35%	0.346	S	S	.	.	H	α-helix	trans	-68.2	-49.9	170.7	170.1	-97.9	0	0	0	111.5	N102 R151 I152 L153 T157 M158 L159	N102-F155 WeakPolarHBondContact ND2-CD2 3.38Å; N102-F155 VanDerWaalsContact ND2-CE2 3.29Å; N102-F155 WeakPolarHBondContact ND2-CE2 3.38Å; N102-F155 WeakPolarHBondContact OD1-CD2 3.48Å; N102-F155 WeakPolarHBondContact OD1-CE2 3.39Å; R151-F155 WeakPolarHBondContact O-CB 3.5Å; R151-F155 PolarHBondContact O-N 3.35Å; I152-F155 PolarHBondContact O-N 3.04Å; L153-F155 VanDerWaalsContact C-N 3.32Å; L153-F155 PolarHBondContact O-N 3.1Å; F155-T157 VanDerWaalsContact C-N 3.31Å; F155-T157 PolarHBondContact O-N 3.3Å; F155-M158 PolarHBondContact O-N 3.23Å; F155-L159 HydrophobicContact CE1-CD2 3.82Å; F155-L159 HydrophobicContact CZ-CD2 4.06Å; F155-L159 WeakPolarHBondContact O-CB 3.28Å; F155-L159 PolarHBondContact O-N 3.16Å; F155-L159 VanDerWaalsContact O-N 3.09Å
156	A	88.8	Confident	85.8	Confident	31 Å²	31	63.1 Å²	63.1	26%	0.256	34%	0.335	S	S	.	.	H	α-helix	trans	-60.3	-40.1	-178.8	0	0	0	0	0	111.8	I152 L153 M158 L159 L160	I152-A156 WeakPolarHBondContact O-CB 3.43Å; I152-A156 PolarHBondContact O-N 2.8Å; L153-A156 PolarHBondContact O-N 3.12Å; A156-M158 PolarHBondContact O-N 3.45Å; A156-L159 PolarHBondContact O-N 2.93Å; A156-L160 VanDerWaalsContact O-CB 3.3Å; A156-L160 WeakPolarHBondContact O-CB 3.36Å; A156-L160 WeakPolarHBondContact O-CG 3.37Å; A156-L160 PolarHBondContact O-N 3.11Å
157	T	90.4	Very high	86.7	Confident	48 Å²	48	62.9 Å²	62.9	29%	0.294	34%	0.338	S	S	.	.	H	α-helix	trans	-57.2	-49.2	178.1	-57.5	0	0	0	0	112	V129 A133 L153 F155 I161	V129-T157 HydrophobicContact CG1-CG2 3.68Å; A133-T157 HydrophobicContact CB-CG2 3.86Å; L153-T157 PolarHBondContact O-N 2.83Å; L153-T157 PolarHBondContact O-OG1 3.07Å; F155-T157 VanDerWaalsContact C-N 3.31Å; F155-T157 PolarHBondContact O-N 3.3Å; T157-I161 HydrophobicContact CG2-CD1 3.97Å; T157-I161 WeakPolarHBondContact O-CD1 3.43Å; T157-I161 VanDerWaalsContact O-CG1 3.24Å; T157-I161 WeakPolarHBondContact O-CG1 3.1Å; T157-I161 PolarHBondContact O-N 2.87Å; T157-I161 VanDerWaalsContact O-N 3.08Å
158	M	91.6	Very high	87.6	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-67.2	-40.8	179.7	-172.2	61.9	135.3	0	0	111.8	L36 N102 I103 Y106 A130 R134 F155 A156 I161 T162	L36-M158 HydrophobicContact CD1-CE 4.12Å; N102-M158 HydrophobicContact CB-CG 4.37Å; I103-M158 HydrophobicContact CG1-CE 4.34Å; Y106-M158 HydrophobicContact CD1-CE 3.49Å; Y106-M158 VanDerWaalsContact CD1-CE 3.49Å; Y106-M158 HydrophobicContact CD2-CE 3.65Å; Y106-M158 HydrophobicContact CD2-SD 3.58Å; Y106-M158 VanDerWaalsContact CD2-SD 3.58Å; Y106-M158 HydrophobicContact CE1-CE 3.97Å; Y106-M158 HydrophobicContact CE2-CE 4.11Å; Y106-M158 HydrophobicContact CE2-SD 4.09Å; Y106-M158 HydrophobicContact CG-CE 3.3Å; Y106-M158 HydrophobicContact CG-SD 3.83Å; A130-M158 HydrophobicContact CB-CE 4Å; A130-M158 HydrophobicContact CB-SD 3.38Å; A130-M158 WeakPolarHBondContact CB-SD 3.41Å; R134-M158 HydrophobicContact CG-CB 4.39Å; R134-M158 HydrophobicContact CG-CE 3.58Å; R134-M158 HydrophobicContact CG-CG 4.12Å; R134-M158 HydrophobicContact CG-SD 4.23Å; F155-M158 PolarHBondContact O-N 3.23Å; A156-M158 PolarHBondContact O-N 3.45Å; M158-I161 PolarHBondContact O-N 2.84Å; M158-T162 WeakPolarHBondContact O-CB 3.32Å; M158-T162 PolarHBondContact O-N 3.47Å; M158-T162 PolarHBondContact O-OG1 2.8Å
159	L	92.6	Very high	88.5	Confident	61 Å²	61	53.8 Å²	53.8	32%	0.319	29%	0.291	S	S	.	.	H	α-helix	trans	-62.1	-47.9	178.9	-173.7	65.9	0	0	0	111.3	F155 A156 I161 T162 F163	F155-L159 HydrophobicContact CE1-CD2 3.82Å; F155-L159 HydrophobicContact CZ-CD2 4.06Å; F155-L159 WeakPolarHBondContact O-CB 3.28Å; F155-L159 PolarHBondContact O-N 3.16Å; F155-L159 VanDerWaalsContact O-N 3.09Å; A156-L159 PolarHBondContact O-N 2.93Å; L159-I161 PolarHBondContact O-N 3.16Å; L159-T162 PolarHBondContact O-N 3.47Å; L159-F163 HydrophobicContact CD1-CD2 4.03Å; L159-F163 HydrophobicContact CD1-CE2 3.57Å; L159-F163 HydrophobicContact CD1-CZ 4.48Å; L159-F163 HydrophobicContact CD2-CE2 4.18Å; L159-F163 HydrophobicContact CG-CD2 3.82Å; L159-F163 HydrophobicContact CG-CE2 3.65Å; L159-F163 VanDerWaalsContact O-CD2 3.28Å; L159-F163 WeakPolarHBondContact O-CD2 3.45Å; L159-F163 PolarHBondContact O-N 2.75Å
160	L	95.2	Very high	89.5	Confident	118 Å²	118	51.9 Å²	51.9	62%	0.618	28%	0.282	S	S	*	.	H	α-helix	trans	-63.7	-40.3	178.8	-70.9	172.4	0	0	0	112	A156 T162 F163 Y164	A156-L160 VanDerWaalsContact O-CB 3.3Å; A156-L160 WeakPolarHBondContact O-CB 3.36Å; A156-L160 WeakPolarHBondContact O-CG 3.37Å; A156-L160 PolarHBondContact O-N 3.11Å; L160-T162 VanDerWaalsContact C-N 3.33Å; L160-T162 PolarHBondContact O-N 3.33Å; L160-F163 PolarHBondContact O-N 3.35Å; L160-Y164 WeakPolarHBondContact O-CB 3.04Å; L160-Y164 PolarHBondContact O-N 3.45Å
161	I	94.2	Very high	90.4	Very high	14 Å²	14	56.3 Å²	56.3	7%	0.072	30%	0.303	C	S	.	.	H	α-helix	trans	-63.1	-42	174.9	-70	167.4	0	0	0	110.7	Y106 L126 V129 A130 T157 M158 L159 Y164 M165	Y106-I161 HydrophobicContact CE2-CG2 4.46Å; L126-I161 HydrophobicContact CB-CG2 4.14Å; L126-I161 HydrophobicContact CD2-CG1 4.02Å; L126-I161 HydrophobicContact CD2-CG2 4.1Å; V129-I161 HydrophobicContact CB-CD1 4.14Å; V129-I161 HydrophobicContact CG1-CD1 3.88Å; A130-I161 HydrophobicContact CB-CD1 3.93Å; A130-I161 HydrophobicContact CB-CG2 4.32Å; T157-I161 HydrophobicContact CG2-CD1 3.97Å; T157-I161 WeakPolarHBondContact O-CD1 3.43Å; T157-I161 VanDerWaalsContact O-CG1 3.24Å; T157-I161 WeakPolarHBondContact O-CG1 3.1Å; T157-I161 PolarHBondContact O-N 2.87Å; T157-I161 VanDerWaalsContact O-N 3.08Å; M158-I161 PolarHBondContact O-N 2.84Å; L159-I161 PolarHBondContact O-N 3.16Å; I161-Y164 PolarHBondContact O-N 3.48Å; I161-M165 HydrophobicContact CG2-CE 4.15Å; I161-M165 WeakPolarHBondContact O-CG 3.39Å; I161-M165 PolarHBondContact O-N 3.36Å
162	T	94.4	Very high	91.1	Very high	17 Å²	17	58.9 Å²	58.9	10%	0.104	31%	0.313	C	S	.	.	H	α-helix	trans	-64.5	-43.6	178	-54.1	0	0	0	0	111.3	P105 M109 M158 L159 L160 M165 A166	P105-T162 HydrophobicContact CB-CG2 4.43Å; M109-T162 HydrophobicContact CB-CG2 4.04Å; M109-T162 HydrophobicContact CG-CG2 3.82Å; M158-T162 WeakPolarHBondContact O-CB 3.32Å; M158-T162 PolarHBondContact O-N 3.47Å; M158-T162 PolarHBondContact O-OG1 2.8Å; L159-T162 PolarHBondContact O-N 3.47Å; L160-T162 VanDerWaalsContact C-N 3.33Å; L160-T162 PolarHBondContact O-N 3.33Å; T162-M165 PolarHBondContact O-N 3.02Å; T162-A166 WeakPolarHBondContact O-CB 3.08Å; T162-A166 PolarHBondContact O-N 3.32Å
163	F	96	Very high	91.6	Very high	132 Å²	132	57.6 Å²	57.6	58%	0.579	31%	0.309	S	S	*	.	H	α-helix	trans	-65.3	-39	174.3	-83.7	-61.9	0	0	0	113.1	L159 L160 A166 A167	L159-F163 HydrophobicContact CD1-CD2 4.03Å; L159-F163 HydrophobicContact CD1-CE2 3.57Å; L159-F163 HydrophobicContact CD1-CZ 4.48Å; L159-F163 HydrophobicContact CD2-CE2 4.18Å; L159-F163 HydrophobicContact CG-CD2 3.82Å; L159-F163 HydrophobicContact CG-CE2 3.65Å; L159-F163 VanDerWaalsContact O-CD2 3.28Å; L159-F163 WeakPolarHBondContact O-CD2 3.45Å; L159-F163 PolarHBondContact O-N 2.75Å; L160-F163 PolarHBondContact O-N 3.35Å; F163-A166 PolarHBondContact O-N 2.91Å; F163-A167 WeakPolarHBondContact O-CB 3.36Å; F163-A167 PolarHBondContact O-N 3.29Å
164	Y	95.7	Very high	92.2	Very high	103 Å²	103	57.7 Å²	57.7	40%	0.404	31%	0.31	S	S	.	.	H	α-helix	trans	-58.9	-50.2	174.4	168.9	-91.6	0	0	0	110.8	Y113 L126 L160 I161 A166 A167 V168	Y113-Y164 HydrophobicContact CE2-CE1 4.48Å; L126-Y164 HydrophobicContact CD1-CD1 3.69Å; L126-Y164 HydrophobicContact CD1-CE1 3.42Å; L126-Y164 VanDerWaalsContact CD1-CE1 3.42Å; L126-Y164 HydrophobicContact CD2-CD1 4.32Å; L160-Y164 WeakPolarHBondContact O-CB 3.04Å; L160-Y164 PolarHBondContact O-N 3.45Å; I161-Y164 PolarHBondContact O-N 3.48Å; Y164-A166 VanDerWaalsContact C-N 3.3Å; Y164-A166 PolarHBondContact O-N 3.13Å; Y164-A167 PolarHBondContact O-N 2.95Å; Y164-V168 HydrophobicContact CD1-CG2 4.46Å; Y164-V168 HydrophobicContact CD2-CG2 4.37Å; Y164-V168 HydrophobicContact CE1-CG2 3.97Å; Y164-V168 HydrophobicContact CE2-CG2 3.91Å; Y164-V168 WeakPolarHBondContact O-CG2 3.18Å; Y164-V168 PolarHBondContact O-N 2.82Å
165	M	94.6	Very high	92.6	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-59.5	-43.1	176.5	-70.4	-172.5	-60	0	0	111.2	Y106 M109 Y113 F127 I161 T162 V168 V169	Y106-M165 HydrophobicContact CD2-CE 3.66Å; Y106-M165 HydrophobicContact CE2-CE 3.84Å; M109-M165 HydrophobicContact CB-CE 4.18Å; Y113-M165 HydrophobicContact CD1-CG 4.01Å; Y113-M165 HydrophobicContact CD1-SD 3.94Å; Y113-M165 HydrophobicContact CD2-CB 4.08Å; Y113-M165 HydrophobicContact CD2-CG 4.03Å; Y113-M165 HydrophobicContact CE1-CG 4.41Å; Y113-M165 HydrophobicContact CE2-CG 4.43Å; Y113-M165 HydrophobicContact CG-CB 4.11Å; Y113-M165 HydrophobicContact CG-CG 3.81Å; Y113-M165 HydrophobicContact CG-SD 4.03Å; F127-M165 HydrophobicContact CE1-SD 3.98Å; I161-M165 HydrophobicContact CG2-CE 4.15Å; I161-M165 WeakPolarHBondContact O-CG 3.39Å; I161-M165 PolarHBondContact O-N 3.36Å; T162-M165 PolarHBondContact O-N 3.02Å; M165-V168 PolarHBondContact O-N 2.99Å; M165-V169 WeakPolarHBondContact O-CB 3.01Å; M165-V169 WeakPolarHBondContact O-CG2 3.42Å; M165-V169 PolarHBondContact O-N 3.2Å
166	A	95.1	Very high	93	Very high	31 Å²	31	65.3 Å²	65.3	26%	0.256	35%	0.352	S	S	.	.	H	α-helix	trans	-62	-43.2	177.1	0	0	0	0	0	112.9	M109 T162 F163 Y164 A170	M109-A166 VanDerWaalsContact CE-CA 3.42Å; M109-A166 HydrophobicContact CE-CB 3.71Å; M109-A166 HydrophobicContact SD-CB 4.35Å; T162-A166 WeakPolarHBondContact O-CB 3.08Å; T162-A166 PolarHBondContact O-N 3.32Å; F163-A166 PolarHBondContact O-N 2.91Å; Y164-A166 VanDerWaalsContact C-N 3.3Å; Y164-A166 PolarHBondContact O-N 3.13Å; A166-A170 WeakPolarHBondContact O-CB 3.43Å; A166-A170 PolarHBondContact O-N 3.09Å
167	A	95.1	Very high	93	Very high	50 Å²	50	73 Å²	73	41%	0.413	39%	0.386	S	S	.	.	H	α-helix	trans	-64.5	-45.6	177.4	0	0	0	0	0	111.4	F163 Y164 A170 L171	F163-A167 WeakPolarHBondContact O-CB 3.36Å; F163-A167 PolarHBondContact O-N 3.29Å; Y164-A167 PolarHBondContact O-N 2.95Å; A167-A170 PolarHBondContact O-N 3.11Å; A167-L171 WeakPolarHBondContact O-CB 2.75Å; A167-L171 VanDerWaalsContact O-CG 3.23Å; A167-L171 WeakPolarHBondContact O-CG 2.81Å; A167-L171 PolarHBondContact O-N 3.26Å
168	V	93.7	Very high	93.1	Very high	45 Å²	45	74.2 Å²	74.2	27%	0.273	39%	0.391	S	S	.	.	H	α-helix	trans	-62.8	-45.8	178.3	175	0	0	0	0	111.1	Y113 Y164 M165 R172	Y113-V168 HydrophobicContact CD2-CB 4.5Å; Y113-V168 HydrophobicContact CD2-CG1 4.43Å; Y113-V168 HydrophobicContact CE2-CB 4.01Å; Y113-V168 HydrophobicContact CE2-CG1 3.79Å; Y164-V168 HydrophobicContact CD1-CG2 4.46Å; Y164-V168 HydrophobicContact CD2-CG2 4.37Å; Y164-V168 HydrophobicContact CE1-CG2 3.97Å; Y164-V168 HydrophobicContact CE2-CG2 3.91Å; Y164-V168 WeakPolarHBondContact O-CG2 3.18Å; Y164-V168 PolarHBondContact O-N 2.82Å; M165-V168 PolarHBondContact O-N 2.99Å; V168-R172 WeakPolarHBondContact O-CB 3.37Å; V168-R172 PolarHBondContact O-N 3.04Å
169	V	93.8	Very high	93.2	Very high	12 Å²	12	78.1 Å²	78.1	7%	0.073	41%	0.411	C	S	.	.	H	α-helix	trans	-59.7	-50.6	175.8	168.7	0	0	0	0	110.6	M109 I112 Y113 T116 M165 L171 R172 T173	M109-V169 HydrophobicContact CE-CB 4.49Å; M109-V169 HydrophobicContact CE-CG2 4.39Å; I112-V169 HydrophobicContact CG2-CB 4.41Å; I112-V169 HydrophobicContact CG2-CG1 3.51Å; I112-V169 HydrophobicContact CG2-CG2 4.03Å; Y113-V169 HydrophobicContact CD2-CG2 4.16Å; T116-V169 HydrophobicContact CG2-CB 4.45Å; T116-V169 HydrophobicContact CG2-CG1 4.47Å; T116-V169 HydrophobicContact CG2-CG2 3.92Å; M165-V169 WeakPolarHBondContact O-CB 3.01Å; M165-V169 WeakPolarHBondContact O-CG2 3.42Å; M165-V169 PolarHBondContact O-N 3.2Å; V169-L171 PolarHBondContact O-N 2.93Å; V169-R172 PolarHBondContact O-N 2.85Å; V169-T173 HydrophobicContact CG1-CG2 4.28Å; V169-T173 WeakPolarHBondContact O-CG2 3.08Å; V169-T173 PolarHBondContact O-N 2.83Å; V169-T173 PolarHBondContact O-OG1 3.15Å; V169-T173 VanDerWaalsContact O-OG1 3.08Å
170	A	94.1	Very high	93.2	Very high	43 Å²	43	79.1 Å²	79.1	36%	0.355	42%	0.416	S	S	.	.	H	α-helix	trans	-61.7	-45.1	-177.4	0	0	0	0	0	112.2	A166 A167 R172 T173 L174	A166-A170 WeakPolarHBondContact O-CB 3.43Å; A166-A170 PolarHBondContact O-N 3.09Å; A167-A170 PolarHBondContact O-N 3.11Å; A170-R172 VanDerWaalsContact C-N 3.31Å; A170-R172 PolarHBondContact O-N 3.37Å; A170-T173 PolarHBondContact O-N 3.01Å; A170-T173 PolarHBondContact O-OG1 2.61Å; A170-T173 VanDerWaalsContact O-OG1 3.07Å; A170-L174 VanDerWaalsContact O-CB 3.26Å; A170-L174 WeakPolarHBondContact O-CB 3.36Å; A170-L174 WeakPolarHBondContact O-CG 3.15Å; A170-L174 PolarHBondContact O-N 2.8Å
171	L	93.5	Very high	93.1	Very high	125 Å²	125	76.8 Å²	76.8	65%	0.654	40%	0.404	S	S	*	.	H	α-helix	trans	-64.2	-38.2	176.2	-69.4	171.9	0	0	0	111.6	A167 V169 S175	A167-L171 WeakPolarHBondContact O-CB 2.75Å; A167-L171 VanDerWaalsContact O-CG 3.23Å; A167-L171 WeakPolarHBondContact O-CG 2.81Å; A167-L171 PolarHBondContact O-N 3.26Å; V169-L171 PolarHBondContact O-N 2.93Å; L171-S175 PolarHBondContact O-N 2.94Å
172	R	90.3	Very high	93	Very high	131 Å²	131	80.7 Å²	80.7	49%	0.494	43%	0.425	S	S	.	.	H	α-helix	trans	-67.2	-44.9	177.1	-175.6	59.5	169	172.9	-0.1	111.1	T116 V168 V169 A170 S175 F176	T116-R172 HydrophobicContact CG2-CG 4.36Å; V168-R172 WeakPolarHBondContact O-CB 3.37Å; V168-R172 PolarHBondContact O-N 3.04Å; V169-R172 PolarHBondContact O-N 2.85Å; A170-R172 VanDerWaalsContact C-N 3.31Å; A170-R172 PolarHBondContact O-N 3.37Å; R172-S175 PolarHBondContact O-N 3.18Å; R172-S175 PolarHBondContact O-OG 2.96Å; R172-F176 HydrophobicContact CG-CE2 4.26Å; R172-F176 WeakPolarHBondContact O-CD2 3.48Å; R172-F176 WeakPolarHBondContact O-CE2 3.31Å
173	T	91.6	Very high	92.9	Very high	65 Å²	65	84.9 Å²	84.9	40%	0.399	45%	0.447	S	S	.	.	H	α-helix	trans	-71.4	-37.5	-179.6	54.2	0	0	0	0	112.5	V169 A170 S175 F176	V169-T173 HydrophobicContact CG1-CG2 4.28Å; V169-T173 WeakPolarHBondContact O-CG2 3.08Å; V169-T173 PolarHBondContact O-N 2.83Å; V169-T173 PolarHBondContact O-OG1 3.15Å; V169-T173 VanDerWaalsContact O-OG1 3.08Å; A170-T173 PolarHBondContact O-N 3.01Å; A170-T173 PolarHBondContact O-OG1 2.61Å; A170-T173 VanDerWaalsContact O-OG1 3.07Å; T173-S175 PolarHBondContact O-N 3.12Å; T173-F176 WeakPolarHBondContact O-CB 3.49Å; T173-F176 PolarHBondContact O-N 2.98Å
174	L	93.2	Very high	92.7	Very high	110 Å²	110	81.6 Å²	81.6	58%	0.576	44%	0.437	S	S	*	.	H	α-helix	trans	-61.2	-24.5	173.1	-75.9	171.7	0	0	0	112.6	A170 F176 I177	A170-L174 VanDerWaalsContact O-CB 3.26Å; A170-L174 WeakPolarHBondContact O-CB 3.36Å; A170-L174 WeakPolarHBondContact O-CG 3.15Å; A170-L174 PolarHBondContact O-N 2.8Å; L174-F176 PolarHBondContact O-N 3.03Å; L174-I177 PolarHBondContact O-N 3.22Å; L174-I177 VanDerWaalsContact O-OXT 3.08Å
175	S	89.4	Confident	92.5	Very high	80 Å²	80	79.9 Å²	79.9	56%	0.559	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-11.8	174.2	75.6	0	0	0	0	114	L171 R172 T173	L171-S175 PolarHBondContact O-N 2.94Å; R172-S175 PolarHBondContact O-N 3.18Å; R172-S175 PolarHBondContact O-OG 2.96Å; T173-S175 PolarHBondContact O-N 3.12Å
176	F	89.3	Confident	92.3	Very high	156 Å²	156	86.6 Å²	86.6	68%	0.684	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	-10.8	179.1	-66	-81.3	0	0	0	114.5	R172 T173 L174	R172-F176 HydrophobicContact CG-CE2 4.26Å; R172-F176 WeakPolarHBondContact O-CD2 3.48Å; R172-F176 WeakPolarHBondContact O-CE2 3.31Å; T173-F176 WeakPolarHBondContact O-CB 3.49Å; T173-F176 PolarHBondContact O-N 2.98Å; L174-F176 PolarHBondContact O-N 3.03Å
177	I	88.7	Confident	92.1	Very high	191 Å²	191	91.6 Å²	91.6	98%	0.979	50%	0.496	S	S	*	.			trans	-112.9	0	-176.9	-55.5	173.9	0	0	0	108.4	L174	L174-I177 PolarHBondContact O-N 3.22Å; L174-I177 VanDerWaalsContact O-OXT 3.08Å

Retrieved 177 of 177 residues in 104.4 ms (Link to these results)

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