A0A077Z725_TRITR Loading...

phosphatidylinositol-3,4,5-trisphosphate 3-phosphatase

AlphaFold DB , UniProt , Accession A0A077Z725, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 164 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	43	Very low	54.4	Low	207 Å²	207	109.8 Å²	109.8	100%	1.02	58%	0.584	S	S	*	*				0	70	0	-61.9	-71	-93	0	0	110.8
2	G	47	Very low	54.8	Low	37 Å²	37	115.5 Å²	115.5	38%	0.381	60%	0.6	S	S	.	*			trans	-140.1	33.4	178.1	0	0	0	0	0	111	R25	G2-R25 PolarHBondContact O-NH2 3.04Å
3	F	44.5	Very low	55.1	Low	175 Å²	175	116.6 Å²	116.6	77%	0.768	59%	0.592	S	S	*	*	P	Polyproline II helix	trans	-76.9	156.8	170.8	-78.6	-82.9	0	0	0	109.5	R25	F3-R25 PolarHBondContact O-NH2 2.7Å
4	P	46.8	Very low	55.2	Low	59 Å²	59	113.1 Å²	113.1	38%	0.383	58%	0.575	S	S	.	*	P	Polyproline II helix	trans	-55.4	144.6	171.6	-20.4	32.1	0	0	0	110.4	I16	P4-I16 HydrophobicContact CB-CB 4.34Å; P4-I16 HydrophobicContact CB-CD1 3.96Å; P4-I16 HydrophobicContact CB-CG1 4.21Å; P4-I16 HydrophobicContact CG-CD1 3.64Å; P4-I16 HydrophobicContact CG-CG1 4.13Å
5	A	54.9	Low	55.2	Low	24 Å²	24	113.1 Å²	113.1	20%	0.198	57%	0.572	C	S	.	*	P	Polyproline II helix	trans	-73.5	126.7	173.5	0	0	0	0	0	109	E9 R13	A5-E9 HydrophobicContact CB-CB 3.71Å; A5-R13 HydrophobicContact CB-CB 3.52Å; A5-R13 HydrophobicContact CB-CG 4.24Å
6	E	51.2	Low	55.6	Low	147 Å²	147	112 Å²	112	69%	0.687	57%	0.567	S	S	*	*			trans	-106.3	147.4	174.2	-68	-173.3	177.9	0	0	110.6	L8 E9	E6-L8 PolarHBondContact O-N 3.25Å; E6-E9 PolarHBondContact O-N 3.32Å
7	K	68.5	Low	55.7	Low	194 Å²	194	112.7 Å²	112.7	84%	0.843	57%	0.572	S	S	*	*	G	3₁₀ helix	trans	56.4	-125	173.6	-54.7	175.3	-178	174.4	0	112.3	E9 G10	K7-E9 PolarHBondContact O-N 3.19Å; K7-G10 PolarHBondContact O-N 2.91Å
8	L	65.7	Low	55.8	Low	135 Å²	135	111.9 Å²	111.9	71%	0.707	57%	0.57	S	S	*	*	G	3₁₀ helix	trans	-61.5	-27.8	-176.4	-159.6	85.8	0	0	0	112.5	E6 G10 V11	E6-L8 PolarHBondContact O-N 3.25Å; L8-G10 PolarHBondContact O-N 3.23Å; L8-V11 WeakPolarHBondContact O-CB 3.35Å; L8-V11 WeakPolarHBondContact O-CG2 3.37Å; L8-V11 PolarHBondContact O-N 3.48Å; L8-V11 VanDerWaalsContact O-N 3.13Å
9	E	57.1	Low	55.4	Low	94 Å²	94	108.2 Å²	108.2	44%	0.439	55%	0.553	S	S	.	*	G	3₁₀ helix	trans	-63.9	-28.7	177.2	-64.9	-159.6	150.8	0	0	111.9	A5 E6 K7 V11 F12 R13	A5-E9 HydrophobicContact CB-CB 3.71Å; E6-E9 PolarHBondContact O-N 3.32Å; K7-E9 PolarHBondContact O-N 3.19Å; E9-V11 PolarHBondContact O-N 3.39Å; E9-F12 PolarHBondContact O-N 3Å; E9-R13 WeakPolarHBondContact O-CB 3.48Å; E9-R13 PolarHBondContact O-N 3.18Å; E9-R13 IonicContact OE1-NH1 3.01Å; E9-R13 PolarHBondContact OE1-NH1 2.62Å; E9-R13 VanDerWaalsContact OE1-NH1 3.14Å; E9-R13 IonicContact OE2-CZ 2.95Å; E9-R13 IonicContact OE2-NH1 3.04Å; E9-R13 PolarHBondContact OE2-NH1 3.08Å
10	G	58.5	Low	55.1	Low	40 Å²	40	108.2 Å²	108.2	41%	0.412	56%	0.558	S	S	.	*	G	3₁₀ helix	trans	-67.3	-14.2	176.7	0	0	0	0	0	114	K7 L8 F12	K7-G10 PolarHBondContact O-N 2.91Å; L8-G10 PolarHBondContact O-N 3.23Å; G10-F12 VanDerWaalsContact C-N 3.28Å; G10-F12 PolarHBondContact O-N 3.31Å
11	V	61.2	Low	54.5	Low	96 Å²	96	108.6 Å²	108.6	58%	0.582	57%	0.57	S	S	*	*	G	3₁₀ helix	trans	-69.9	-29.4	174.9	-176.9	0	0	0	0	111.2	L8 E9	L8-V11 WeakPolarHBondContact O-CB 3.35Å; L8-V11 WeakPolarHBondContact O-CG2 3.37Å; L8-V11 PolarHBondContact O-N 3.48Å; L8-V11 VanDerWaalsContact O-N 3.13Å; E9-V11 PolarHBondContact O-N 3.39Å
12	F	59.5	Low	54.4	Low	178 Å²	178	102.1 Å²	102.1	78%	0.781	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.5	-6	-174.8	-45.4	-75.8	0	0	0	113.9	E9 G10	E9-F12 PolarHBondContact O-N 3Å; G10-F12 VanDerWaalsContact C-N 3.28Å; G10-F12 PolarHBondContact O-N 3.31Å
13	R	57.9	Low	54.6	Low	130 Å²	130	108.7 Å²	108.7	49%	0.491	57%	0.571	S	S	.	*	S	Bend	trans	-113.9	152.4	174.8	-70.8	-175.5	164.8	154.6	3.2	110.5	A5 E9	A5-R13 HydrophobicContact CB-CB 3.52Å; A5-R13 HydrophobicContact CB-CG 4.24Å; E9-R13 WeakPolarHBondContact O-CB 3.48Å; E9-R13 PolarHBondContact O-N 3.18Å; E9-R13 IonicContact OE1-NH1 3.01Å; E9-R13 PolarHBondContact OE1-NH1 2.62Å; E9-R13 VanDerWaalsContact OE1-NH1 3.14Å; E9-R13 IonicContact OE2-CZ 2.95Å; E9-R13 IonicContact OE2-NH1 3.04Å; E9-R13 PolarHBondContact OE2-NH1 3.08Å
14	N	56.4	Low	55.1	Low	67 Å²	67	102.7 Å²	102.7	36%	0.358	55%	0.545	S	S	.	.			trans	-59.5	141.8	178.6	-66.2	-23.8	0	0	0	111.7	D18 V19 R31	N14-D18 HydrophobicContact CB-CB 4.21Å; N14-V19 HydrophobicContact CB-CG2 4.23Å; N14-R31 PolarHBondContact OD1-NH1 3.22Å
15	H	56.4	Low	55.8	Low	113 Å²	113	105.3 Å²	105.3	52%	0.523	55%	0.548	S	S	.	.			trans	-65.1	153.4	176.4	-167.6	-102.2	0	0	0	110.9	D17 D18 V19	H15-D17 IonicContact CE1-OD2 3Å; H15-D17 PolarHBondContact CE1-OD2 3.25Å; H15-D17 IonicContact ND1-OD2 2.71Å; H15-D17 PolarHBondContact ND1-OD2 3.07Å; H15-D17 PolarHBondContact O-N 3.2Å; H15-D18 WeakPolarHBondContact O-CB 3.34Å; H15-D18 PolarHBondContact O-N 3.11Å; H15-V19 WeakPolarHBondContact O-CG2 3.38Å; H15-V19 PolarHBondContact O-N 3.07Å
16	I	60.2	Low	56.4	Low	96 Å²	96	108 Å²	108	49%	0.492	56%	0.564	S	S	.	*	G	3₁₀ helix	trans	-56.3	-35.3	-176	-168.5	167	0	0	0	113	P4 D18 V19	P4-I16 HydrophobicContact CB-CB 4.34Å; P4-I16 HydrophobicContact CB-CD1 3.96Å; P4-I16 HydrophobicContact CB-CG1 4.21Å; P4-I16 HydrophobicContact CG-CD1 3.64Å; P4-I16 HydrophobicContact CG-CG1 4.13Å; I16-D18 VanDerWaalsContact C-N 3.29Å; I16-D18 PolarHBondContact O-N 2.86Å; I16-V19 PolarHBondContact O-N 3.24Å
17	D	57.6	Low	57.2	Low	124 Å²	124	106.7 Å²	106.7	66%	0.663	55%	0.554	S	S	*	*	G	3₁₀ helix	trans	-70.3	-24.1	179.1	-55.5	-39.7	0	0	0	113.2	H15 V19	H15-D17 IonicContact CE1-OD2 3Å; H15-D17 PolarHBondContact CE1-OD2 3.25Å; H15-D17 IonicContact ND1-OD2 2.71Å; H15-D17 PolarHBondContact ND1-OD2 3.07Å; H15-D17 PolarHBondContact O-N 3.2Å; D17-V19 VanDerWaalsContact C-N 3.27Å
18	D	58.3	Low	57.7	Low	99 Å²	99	102.3 Å²	102.3	53%	0.529	54%	0.54	S	S	.	.	G	3₁₀ helix	trans	-80.1	-14.7	173.5	-62.9	-30.2	0	0	0	111.6	N14 H15 I16 V20	N14-D18 HydrophobicContact CB-CB 4.21Å; H15-D18 WeakPolarHBondContact O-CB 3.34Å; H15-D18 PolarHBondContact O-N 3.11Å; I16-D18 VanDerWaalsContact C-N 3.29Å; I16-D18 PolarHBondContact O-N 2.86Å; D18-V20 PolarHBondContact O-N 3.13Å
19	V	48.6	Very low	58.6	Low	40 Å²	40	97.3 Å²	97.3	24%	0.242	52%	0.518	C	S	.	.	S	Bend	trans	-97.6	73	-178.2	-170.5	0	0	0	0	108.7	N14 H15 I16 D17 S21 R25	N14-V19 HydrophobicContact CB-CG2 4.23Å; H15-V19 WeakPolarHBondContact O-CG2 3.38Å; H15-V19 PolarHBondContact O-N 3.07Å; I16-V19 PolarHBondContact O-N 3.24Å; D17-V19 VanDerWaalsContact C-N 3.27Å; V19-S21 PolarHBondContact O-N 3.5Å; V19-R25 HydrophobicContact CG1-CG 3.93Å
20	V	49.4	Very low	60	Low	109 Å²	109	95.9 Å²	95.9	66%	0.661	52%	0.518	S	S	*	.			trans	-58.7	133.5	170.6	-170.8	0	0	0	0	108.4	D18 C22	D18-V20 PolarHBondContact O-N 3.13Å; V20-C22 PolarHBondContact O-N 3.25Å
21	S	42.9	Very low	61.4	Low	117 Å²	117	101.6 Å²	101.6	82%	0.818	53%	0.527	S	S	*	.			trans	-65.4	58.6	179.5	-179	0	0	0	0	112.6	V19	V19-S21 PolarHBondContact O-N 3.5Å
22	C	40.2	Very low	62.6	Low	71 Å²	71	102.1 Å²	102.1	48%	0.48	52%	0.522	S	S	.	.			trans	-81.5	133	157.4	-73.9	0	0	0	0	106.8	V20 E24	V20-C22 PolarHBondContact O-N 3.25Å; C22-E24 WeakPolarHBondContact CB-O 3.42Å; C22-E24 CarbonylContact O-C 3.49Å; C22-E24 VanDerWaalsContact O-C 3.27Å; C22-E24 PolarHBondContact O-N 3.23Å
23	N	50.4	Low	64.1	Low	175 Å²	175	99.2 Å²	99.2	94%	0.936	52%	0.515	S	S	*	.	S	Bend	trans	-49.7	-17.7	177.5	-79.3	-31.5	0	0	0	113.3
24	E	56	Low	65.5	Low	49 Å²	49	98.8 Å²	98.8	23%	0.229	52%	0.522	C	S	.	.	S	Bend	trans	-125.2	128.5	162.1	-59	-158.3	133	0	0	109.8	C22 C26 Y38 R81	C22-E24 WeakPolarHBondContact CB-O 3.42Å; C22-E24 CarbonylContact O-C 3.49Å; C22-E24 VanDerWaalsContact O-C 3.27Å; C22-E24 PolarHBondContact O-N 3.23Å; E24-C26 PolarHBondContact O-N 2.86Å; E24-C26 VanDerWaalsContact O-N 3.1Å; E24-Y38 WeakPolarHBondContact CB-OH 3.35Å; E24-Y38 PolarHBondContact OE2-OH 2.93Å; E24-R81 IonicContact OE1-CZ 2.74Å; E24-R81 IonicContact OE1-NH1 3.82Å; E24-R81 PolarHBondContact OE1-NH1 3.41Å
25	R	61	Low	67.1	Low	113 Å²	113	102.4 Å²	102.4	43%	0.426	53%	0.531	S	S	.	.			trans	-64.2	111.1	176.4	-64.8	-177.6	177.4	-176.6	-7.1	109.1	G2 F3 V19	G2-R25 PolarHBondContact O-NH2 3.04Å; F3-R25 PolarHBondContact O-NH2 2.7Å; V19-R25 HydrophobicContact CG1-CG 3.93Å
26	C	66.6	Low	68.8	Low	82 Å²	82	100.3 Å²	100.3	55%	0.554	53%	0.526	S	S	*	.			trans	-78.3	144	169.7	-64.3	0	0	0	0	110.3	E24	E24-C26 PolarHBondContact O-N 2.86Å; E24-C26 VanDerWaalsContact O-N 3.1Å
27	Y	69.8	Low	70.3	Confident	118 Å²	118	98.6 Å²	98.6	46%	0.463	53%	0.526	S	S	.	.			trans	-91.1	147.4	172.7	-58.6	-93	0	0	0	109.5	A29 H74	Y27-A29 PolarHBondContact O-N 3.08Å; Y27-A29 VanDerWaalsContact O-N 3.08Å; Y27-H74 AromaticContact CE2-CE1 3.37Å; Y27-H74 WeakPolarHBondContact CE2-CE1 3.31Å; Y27-H74 AromaticContact CE2-NE2 3.84Å; Y27-H74 AromaticContact CZ-CE1 3.6Å; Y27-H74 PolarHBondContact OH-CE1 3.01Å
28	N	79.1	Confident	71.9	Confident	102 Å²	102	98.6 Å²	98.6	55%	0.545	52%	0.517	S	S	.	.			trans	-68.1	107.6	167.6	-175.8	-14.5	0	0	0	109.1	S30 R31	N28-S30 PolarHBondContact ND2-OG 2.9Å; N28-S30 PolarHBondContact O-N 3.44Å; N28-S30 VanDerWaalsContact O-N 3.11Å; N28-S30 WeakPolarHBondContact OD1-CB 3.48Å; N28-S30 PolarHBondContact OD1-N 2.94Å; N28-S30 VanDerWaalsContact OD1-N 3.08Å; N28-S30 PolarHBondContact OD1-OG 2.81Å; N28-R31 WeakPolarHBondContact O-CB 3.25Å; N28-R31 PolarHBondContact O-N 2.98Å; N28-R31 VanDerWaalsContact O-N 3.07Å
29	A	83.9	Confident	73.6	Confident	31 Å²	31	96.5 Å²	96.5	26%	0.256	50%	0.503	S	S	.	.	G	3₁₀ helix	trans	-58.9	-24.8	-176.7	0	0	0	0	0	113.3	Y27 R31 F32 N33 N34 V36	Y27-A29 PolarHBondContact O-N 3.08Å; Y27-A29 VanDerWaalsContact O-N 3.08Å; A29-R31 PolarHBondContact O-N 3.18Å; A29-F32 CarbonylContact O-C 3.54Å; A29-F32 WeakPolarHBondContact O-CA 3.49Å; A29-F32 PolarHBondContact O-N 3.35Å; A29-N33 PolarHBondContact O-N 3.38Å; A29-N34 WeakPolarHBondContact O-CA 3.5Å; A29-N34 PolarHBondContact O-N 3.07Å; A29-V36 HydrophobicContact CB-CB 4.11Å; A29-V36 HydrophobicContact CB-CG2 4.07Å
30	S	86.6	Confident	75.5	Confident	63 Å²	63	97.4 Å²	97.4	44%	0.441	51%	0.51	S	S	.	.	G	3₁₀ helix	trans	-60.1	-28	176.5	66	0	0	0	0	113.1	N28 F32 N33 N34	N28-S30 PolarHBondContact ND2-OG 2.9Å; N28-S30 PolarHBondContact O-N 3.44Å; N28-S30 VanDerWaalsContact O-N 3.11Å; N28-S30 WeakPolarHBondContact OD1-CB 3.48Å; N28-S30 PolarHBondContact OD1-N 2.94Å; N28-S30 VanDerWaalsContact OD1-N 3.08Å; N28-S30 PolarHBondContact OD1-OG 2.81Å; S30-F32 PolarHBondContact O-N 3.08Å; S30-N33 PolarHBondContact O-N 3.4Å; S30-N34 WeakPolarHBondContact CA-OD1 3.4Å; S30-N34 PolarHBondContact N-OD1 3.29Å
31	R	87	Confident	77.3	Confident	160 Å²	160	93.3 Å²	93.3	60%	0.604	48%	0.483	S	S	*	.	G	3₁₀ helix	trans	-67.7	-13.2	174.4	-64.7	-168.9	178.5	176.9	4.9	113.3	N14 N28 A29	N14-R31 PolarHBondContact OD1-NH1 3.22Å; N28-R31 WeakPolarHBondContact O-CB 3.25Å; N28-R31 PolarHBondContact O-N 2.98Å; N28-R31 VanDerWaalsContact O-N 3.07Å; A29-R31 PolarHBondContact O-N 3.18Å
32	F	87.7	Confident	79.4	Confident	107 Å²	107	91.8 Å²	91.8	47%	0.469	47%	0.468	S	S	.	.	G	3₁₀ helix	trans	-120.2	25.5	179	-59.8	-82.6	0	0	0	111.8	A29 S30 N34 R35 V36	A29-F32 CarbonylContact O-C 3.54Å; A29-F32 WeakPolarHBondContact O-CA 3.49Å; A29-F32 PolarHBondContact O-N 3.35Å; S30-F32 PolarHBondContact O-N 3.08Å; F32-N34 PolarHBondContact O-N 3.29Å; F32-R35 PolarHBondContact O-N 2.96Å; F32-R35 PolarHBondContact O-NE 3.42Å; F32-V36 HydrophobicContact CB-CG2 3.64Å; F32-V36 HydrophobicContact CD2-CG2 3.93Å; F32-V36 HydrophobicContact CG-CG2 4.03Å
33	N	89.4	Confident	81.6	Confident	118 Å²	118	91.9 Å²	91.9	63%	0.631	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.5	35.1	-175.6	-50.7	-32.2	0	0	0	112.7	A29 S30 R35	A29-N33 PolarHBondContact O-N 3.38Å; S30-N33 PolarHBondContact O-N 3.4Å; N33-R35 PolarHBondContact ND2-NH2 3.13Å; N33-R35 PolarHBondContact O-N 3.33Å; N33-R35 VanDerWaalsContact O-N 3.13Å
34	N	87.9	Confident	83.3	Confident	120 Å²	120	89.5 Å²	89.5	64%	0.642	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.1	19	-177.1	-58.3	-44.7	0	0	0	115.1	A29 S30 F32 V36	A29-N34 WeakPolarHBondContact O-CA 3.5Å; A29-N34 PolarHBondContact O-N 3.07Å; S30-N34 WeakPolarHBondContact CA-OD1 3.4Å; S30-N34 PolarHBondContact N-OD1 3.29Å; F32-N34 PolarHBondContact O-N 3.29Å; N34-V36 VanDerWaalsContact C-N 3.33Å; N34-V36 PolarHBondContact O-N 3.22Å
35	R	89.8	Confident	85	Confident	143 Å²	143	92.1 Å²	92.1	54%	0.54	46%	0.459	S	S	.	.			trans	-95.4	58.7	177.5	-62.4	174.2	-65.6	158.1	-1.6	110.9	F32 N33 W62	F32-R35 PolarHBondContact O-N 2.96Å; F32-R35 PolarHBondContact O-NE 3.42Å; N33-R35 PolarHBondContact ND2-NH2 3.13Å; N33-R35 PolarHBondContact O-N 3.33Å; N33-R35 VanDerWaalsContact O-N 3.13Å; R35-W62 HydrophobicContact CG-CH2 4.46Å; R35-W62 HydrophobicContact CG-CZ3 4.43Å; R35-W62 VanDerWaalsContact NH1-CH2 3.32Å; R35-W62 VanDerWaalsContact NH1-CZ2 3.27Å
36	V	92.1	Very high	86.6	Confident	69 Å²	69	87.9 Å²	87.9	42%	0.418	45%	0.447	S	S	.	.			trans	-128.2	118.9	-179.2	-176.3	0	0	0	0	108.8	A29 F32 N34	A29-V36 HydrophobicContact CB-CB 4.11Å; A29-V36 HydrophobicContact CB-CG2 4.07Å; F32-V36 HydrophobicContact CB-CG2 3.64Å; F32-V36 HydrophobicContact CD2-CG2 3.93Å; F32-V36 HydrophobicContact CG-CG2 4.03Å; N34-V36 VanDerWaalsContact C-N 3.33Å; N34-V36 PolarHBondContact O-N 3.22Å
37	A	92.5	Very high	87.9	Confident	60 Å²	60	84.3 Å²	84.3	50%	0.496	42%	0.422	S	S	.	.			trans	-101.1	143.4	168.6	0	0	0	0	0	109.5	Y39	A37-Y39 HydrophobicContact CB-CD2 4.36Å; A37-Y39 HydrophobicContact CB-CE2 3.76Å
38	Y	91.8	Very high	89.1	Confident	124 Å²	124	81.2 Å²	81.2	49%	0.486	42%	0.417	S	S	.	.			trans	-121.9	117.4	-175	-176.5	-115.6	0	0	0	111.1	E24 P40	E24-Y38 WeakPolarHBondContact CB-OH 3.35Å; E24-Y38 PolarHBondContact OE2-OH 2.93Å; Y38-P40 HydrophobicContact CD1-CB 4.34Å; Y38-P40 HydrophobicContact CD1-CG 3.97Å; Y38-P40 HydrophobicContact CE1-CB 3.55Å; Y38-P40 HydrophobicContact CE1-CG 3.53Å; Y38-P40 HydrophobicContact CE2-CB 4.42Å; Y38-P40 WeakPolarHBondContact O-CD 3.31Å
39	Y	92.9	Very high	89.8	Confident	55 Å²	55	77.2 Å²	77.2	22%	0.216	40%	0.396	C	S	.	.			trans	-121.5	82.1	179	-67.7	-86.4	0	0	0	109.8	A37 N51 P54 F55 D58	A37-Y39 HydrophobicContact CB-CD2 4.36Å; A37-Y39 HydrophobicContact CB-CE2 3.76Å; Y39-N51 HydrophobicContact CD1-CB 4.24Å; Y39-P54 HydrophobicContact CE1-CB 4.27Å; Y39-P54 PolarHBondContact OH-O 2.93Å; Y39-P54 VanDerWaalsContact OH-O 3.14Å; Y39-F55 HydrophobicContact CD1-CB 3.99Å; Y39-F55 HydrophobicContact CD2-CB 4.23Å; Y39-F55 AromaticContact CD2-CD2 3.65Å; Y39-F55 HydrophobicContact CD2-CD2 3.65Å; Y39-F55 HydrophobicContact CD2-CG 4.43Å; Y39-F55 HydrophobicContact CE1-CB 3.82Å; Y39-F55 HydrophobicContact CE2-CB 4.06Å; Y39-F55 AromaticContact CE2-CD2 3.85Å; Y39-F55 HydrophobicContact CE2-CD2 3.85Å; Y39-F55 HydrophobicContact CE2-CG 4.45Å; Y39-F55 HydrophobicContact CG-CB 4.18Å; Y39-F55 HydrophobicContact CG-CD2 4.13Å; Y39-F55 VanDerWaalsContact CZ-CA 3.43Å; Y39-F55 WeakPolarHBondContact OH-CA 3.22Å; Y39-F55 PolarHBondContact OH-N 3.46Å; Y39-D58 PolarHBondContact OH-OD2 3.48Å
40	P	89	Confident	90.3	Very high	60 Å²	60	80.5 Å²	80.5	39%	0.39	41%	0.406	S	S	.	.			trans	-71.2	140.4	-175.5	25.5	-30.1	0	0	0	111.8	Y38	Y38-P40 HydrophobicContact CD1-CB 4.34Å; Y38-P40 HydrophobicContact CD1-CG 3.97Å; Y38-P40 HydrophobicContact CE1-CB 3.55Å; Y38-P40 HydrophobicContact CE1-CG 3.53Å; Y38-P40 HydrophobicContact CE2-CB 4.42Å; Y38-P40 WeakPolarHBondContact O-CD 3.31Å
41	F	87.1	Confident	90.6	Very high	23 Å²	23	80.3 Å²	80.3	10%	0.101	40%	0.4	C	S	.	.			trans	-156.4	147.5	158.8	61.3	-80.8	0	0	0	111.8	Q45 P47 R81 M85	F41-Q45 WeakPolarHBondContact CD2-O 3.32Å; F41-Q45 WeakPolarHBondContact CE2-O 3.34Å; F41-P47 HydrophobicContact CB-CB 4.34Å; F41-P47 HydrophobicContact CD1-CB 3.82Å; F41-P47 HydrophobicContact CD2-CB 4.17Å; F41-P47 HydrophobicContact CE1-CB 3.99Å; F41-P47 HydrophobicContact CE2-CB 4.29Å; F41-P47 HydrophobicContact CG-CB 3.89Å; F41-P47 HydrophobicContact CZ-CB 4.19Å; F41-P47 HydrophobicContact CZ-CG 4.46Å; F41-R81 HydrophobicContact CD2-CG 4.05Å; F41-R81 HydrophobicContact CE1-CB 4.13Å; F41-R81 HydrophobicContact CE2-CB 3.67Å; F41-R81 HydrophobicContact CE2-CG 3.37Å; F41-R81 HydrophobicContact CZ-CB 3.38Å; F41-R81 HydrophobicContact CZ-CG 3.68Å; F41-R81 PolarHBondContact O-NH1 3.41Å; F41-R81 VanDerWaalsContact O-NH1 3.09Å; F41-M85 HydrophobicContact CE1-CG 4.03Å; F41-M85 HydrophobicContact CE1-SD 4.05Å; F41-M85 HydrophobicContact CZ-CG 4.35Å; F41-M85 HydrophobicContact CZ-SD 4.41Å
42	V	86.1	Confident	91.1	Very high	84 Å²	84	72.7 Å²	72.7	51%	0.509	37%	0.371	S	S	.	.			trans	-59.1	140.5	-169.3	-176.3	0	0	0	0	110.8	H44 Q45	V42-H44 PolarHBondContact O-N 3.27Å; V42-Q45 HydrophobicContact CB-CB 4.12Å; V42-Q45 HydrophobicContact CB-CG 4.01Å; V42-Q45 HydrophobicContact CG1-CG 4.14Å; V42-Q45 WeakPolarHBondContact O-CB 3.32Å; V42-Q45 PolarHBondContact O-N 3.42Å
43	D	86.3	Confident	91.5	Very high	73 Å²	73	71 Å²	71	39%	0.39	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	138	178	-149.1	37.4	0	0	0	110.5	Q45 R81	D43-Q45 PolarHBondContact O-N 3Å; D43-R81 IonicContact OD1-CZ 3.14Å; D43-R81 VanDerWaalsContact OD1-CZ 3.26Å; D43-R81 IonicContact OD1-NE 3.26Å; D43-R81 PolarHBondContact OD1-NE 3.39Å; D43-R81 IonicContact OD1-NH2 3.86Å; D43-R81 PolarHBondContact OD1-NH2 2.95Å
44	H	86.5	Confident	91.9	Very high	125 Å²	125	67.8 Å²	67.8	58%	0.579	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.4	2.7	-175.1	-47.6	83.9	0	0	0	116.7	V42 I119	V42-H44 PolarHBondContact O-N 3.27Å; H44-I119 VanDerWaalsContact CA-CD1 3.49Å; H44-I119 HydrophobicContact CB-CD1 3.78Å
45	Q	91.7	Very high	92.4	Very high	104 Å²	104	62.7 Å²	62.7	49%	0.486	32%	0.324	S	S	.	.	S	Bend	trans	-103.7	159	173.8	-60.3	-171.3	21.9	0	0	110.6	F41 V42 D43 Q122	F41-Q45 WeakPolarHBondContact CD2-O 3.32Å; F41-Q45 WeakPolarHBondContact CE2-O 3.34Å; V42-Q45 HydrophobicContact CB-CB 4.12Å; V42-Q45 HydrophobicContact CB-CG 4.01Å; V42-Q45 HydrophobicContact CG1-CG 4.14Å; V42-Q45 WeakPolarHBondContact O-CB 3.32Å; V42-Q45 PolarHBondContact O-N 3.42Å; D43-Q45 PolarHBondContact O-N 3Å; Q45-Q122 WeakPolarHBondContact O-CG 3.5Å; Q45-Q122 PolarHBondContact O-NE2 2.87Å
46	P	94.9	Very high	92.8	Very high	25 Å²	25	55.9 Å²	55.9	16%	0.162	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-70.2	161.3	166	31	-33.8	0	0	0	111.3	Y125	P46-Y125 HydrophobicContact CB-CD1 3.65Å; P46-Y125 HydrophobicContact CB-CD2 3.53Å; P46-Y125 HydrophobicContact CB-CE1 4Å; P46-Y125 HydrophobicContact CB-CE2 3.91Å; P46-Y125 HydrophobicContact CB-CG 3.38Å; P46-Y125 HydrophobicContact CG-CD1 4.19Å; P46-Y125 HydrophobicContact CG-CD2 3.69Å; P46-Y125 HydrophobicContact CG-CE1 4.04Å; P46-Y125 HydrophobicContact CG-CE2 3.54Å; P46-Y125 HydrophobicContact CG-CG 4.01Å
47	P	94.8	Very high	93	Very high	6 Å²	6	56.8 Å²	56.8	4%	0.039	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-67.2	162.9	170.5	31.5	-36.6	0	0	0	111.2	F41 L49 M52 V84 M85 Y125	F41-P47 HydrophobicContact CB-CB 4.34Å; F41-P47 HydrophobicContact CD1-CB 3.82Å; F41-P47 HydrophobicContact CD2-CB 4.17Å; F41-P47 HydrophobicContact CE1-CB 3.99Å; F41-P47 HydrophobicContact CE2-CB 4.29Å; F41-P47 HydrophobicContact CG-CB 3.89Å; F41-P47 HydrophobicContact CZ-CB 4.19Å; F41-P47 HydrophobicContact CZ-CG 4.46Å; P47-L49 PolarHBondContact O-N 3.37Å; P47-M52 HydrophobicContact CB-CG 4.41Å; P47-M52 HydrophobicContact CG-CG 3.87Å; P47-M52 HydrophobicContact CG-SD 3.82Å; P47-V84 HydrophobicContact CG-CG1 3.76Å; P47-M85 HydrophobicContact CB-SD 4.11Å; P47-M85 HydrophobicContact CG-SD 4.02Å; P47-Y125 WeakPolarHBondContact O-CD1 3.41Å; P47-Y125 WeakPolarHBondContact O-CE1 3.36Å
48	C	93.5	Very high	93.3	Very high	54 Å²	54	57.3 Å²	57.3	37%	0.365	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-62.1	130.3	161.4	-170.8	0	0	0	0	108.6	E50 N51	C48-E50 PolarHBondContact O-N 3.08Å; C48-N51 HydrophobicContact CB-CB 4.46Å; C48-N51 WeakPolarHBondContact O-CB 3.37Å; C48-N51 PolarHBondContact O-N 3.33Å
49	L	94.5	Very high	93.6	Very high	17 Å²	17	51.8 Å²	51.8	9%	0.089	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-61.7	-33.5	-177.1	-169.5	56.2	0	0	0	111.6	P47 N51 M52 Y125 F129 L132 Y139	P47-L49 PolarHBondContact O-N 3.37Å; L49-N51 PolarHBondContact O-N 2.78Å; L49-M52 HydrophobicContact CD1-CG 4.48Å; L49-M52 HydrophobicContact CD1-SD 3.58Å; L49-M52 VanDerWaalsContact CD1-SD 3.58Å; L49-M52 WeakPolarHBondContact O-CB 3.23Å; L49-M52 PolarHBondContact O-N 2.84Å; L49-M52 VanDerWaalsContact O-N 3.15Å; L49-Y125 HydrophobicContact CB-CD1 4.38Å; L49-Y125 HydrophobicContact CB-CE1 4.28Å; L49-F129 HydrophobicContact CD1-CB 4.23Å; L49-F129 HydrophobicContact CD1-CD2 4.35Å; L49-L132 HydrophobicContact CD1-CD1 4.18Å; L49-L132 HydrophobicContact CD2-CD1 3.82Å; L49-L132 HydrophobicContact CG-CD1 3.95Å; L49-Y139 HydrophobicContact CB-CE1 4.42Å; L49-Y139 HydrophobicContact CD2-CD2 3.73Å; L49-Y139 HydrophobicContact CD2-CE2 3.82Å; L49-Y139 HydrophobicContact CD2-CG 4.19Å; L49-Y139 HydrophobicContact CG-CD2 4.5Å
50	E	93.6	Very high	93.9	Very high	101 Å²	101	52.7 Å²	52.7	47%	0.472	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-60.3	-27.4	175.6	-61.2	177.4	122.9	0	0	113.1	C48 P54 Y139 V141	C48-E50 PolarHBondContact O-N 3.08Å; E50-P54 WeakPolarHBondContact O-CD 3.49Å; E50-P54 WeakPolarHBondContact O-CG 3.15Å; E50-Y139 HydrophobicContact CG-CD1 3.66Å; E50-Y139 HydrophobicContact CG-CE1 3.51Å; E50-V141 HydrophobicContact CG-CG2 4.49Å; E50-V141 WeakPolarHBondContact OE1-CG2 3.38Å
51	N	94.1	Very high	94.3	Very high	59 Å²	59	55.7 Å²	55.7	32%	0.316	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-86	-13.5	-178.6	-69.5	-10.5	0	0	0	112.9	Y39 C48 L49 F55	Y39-N51 HydrophobicContact CD1-CB 4.24Å; C48-N51 HydrophobicContact CB-CB 4.46Å; C48-N51 WeakPolarHBondContact O-CB 3.37Å; C48-N51 PolarHBondContact O-N 3.33Å; L49-N51 PolarHBondContact O-N 2.78Å; N51-F55 VanDerWaalsContact O-CB 3.27Å; N51-F55 WeakPolarHBondContact O-CB 3.45Å; N51-F55 PolarHBondContact O-N 3.3Å
52	M	97.3	Very high	94.8	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-70.9	-39.9	-176.5	-65.3	-175.9	68.4	0	0	112	P47 L49 C56 V84 M85 A88 F129	P47-M52 HydrophobicContact CB-CG 4.41Å; P47-M52 HydrophobicContact CG-CG 3.87Å; P47-M52 HydrophobicContact CG-SD 3.82Å; L49-M52 HydrophobicContact CD1-CG 4.48Å; L49-M52 HydrophobicContact CD1-SD 3.58Å; L49-M52 VanDerWaalsContact CD1-SD 3.58Å; L49-M52 WeakPolarHBondContact O-CB 3.23Å; L49-M52 PolarHBondContact O-N 2.84Å; L49-M52 VanDerWaalsContact O-N 3.15Å; M52-C56 PolarHBondContact O-N 3.31Å; M52-C56 VanDerWaalsContact O-N 3.16Å; M52-C56 PolarHBondContact O-SG 3.37Å; M52-V84 HydrophobicContact CE-CG1 4.25Å; M52-M85 HydrophobicContact CG-CE 4.47Å; M52-A88 HydrophobicContact CE-CB 3.45Å; M52-A88 VanDerWaalsContact CE-CB 3.45Å; M52-F129 HydrophobicContact CB-CD2 3.68Å; M52-F129 HydrophobicContact CB-CE2 3.71Å; M52-F129 HydrophobicContact CB-CG 4.27Å; M52-F129 HydrophobicContact CB-CZ 4.29Å; M52-F129 HydrophobicContact CE-CB 3.56Å; M52-F129 HydrophobicContact CE-CD1 4.06Å; M52-F129 HydrophobicContact CE-CD2 4.25Å; M52-F129 HydrophobicContact CE-CG 3.7Å; M52-F129 HydrophobicContact SD-CB 4.06Å; M52-F129 HydrophobicContact SD-CD2 4.36Å; M52-F129 HydrophobicContact SD-CG 4.3Å
53	L	96.4	Very high	95.3	Very high	72 Å²	72	56.3 Å²	56.3	38%	0.377	28%	0.283	S	S	.	.	H	α-helix	trans	-70	-52	179	176.7	64.5	0	0	0	112.4	F55 C56 E57 Y92 F129	L53-F55 PolarHBondContact O-N 2.97Å; L53-C56 WeakPolarHBondContact O-CA 3.47Å; L53-C56 WeakPolarHBondContact O-CB 3.34Å; L53-C56 PolarHBondContact O-N 2.86Å; L53-E57 HydrophobicContact CD1-CG 4.25Å; L53-E57 HydrophobicContact CG-CG 4.5Å; L53-E57 PolarHBondContact O-N 2.71Å; L53-Y92 HydrophobicContact CD1-CD2 3.97Å; L53-Y92 HydrophobicContact CD1-CE2 3.57Å; L53-F129 HydrophobicContact CB-CE2 4.12Å
54	P	96.9	Very high	95.8	Very high	49 Å²	49	56.5 Å²	56.5	32%	0.318	29%	0.29	S	S	.	.	H	α-helix	trans	-56.8	-37	175.8	-26.3	35.2	0	0	0	112.9	Y39 E50 E57 D58	Y39-P54 HydrophobicContact CE1-CB 4.27Å; Y39-P54 PolarHBondContact OH-O 2.93Å; Y39-P54 VanDerWaalsContact OH-O 3.14Å; E50-P54 WeakPolarHBondContact O-CD 3.49Å; E50-P54 WeakPolarHBondContact O-CG 3.15Å; P54-E57 PolarHBondContact O-N 3.1Å; P54-D58 WeakPolarHBondContact O-CB 3.29Å; P54-D58 PolarHBondContact O-N 2.89Å
55	F	98	Very high	96.4	Very high	14 Å²	14	56.1 Å²	56.1	6%	0.061	29%	0.289	C	S	.	.	H	α-helix	trans	-59.3	-46.3	172.5	166.5	-91.3	0	0	0	112.2	Y39 N51 L53 E57 D58 V59 I73 M85	Y39-F55 HydrophobicContact CD1-CB 3.99Å; Y39-F55 HydrophobicContact CD2-CB 4.23Å; Y39-F55 AromaticContact CD2-CD2 3.65Å; Y39-F55 HydrophobicContact CD2-CD2 3.65Å; Y39-F55 HydrophobicContact CD2-CG 4.43Å; Y39-F55 HydrophobicContact CE1-CB 3.82Å; Y39-F55 HydrophobicContact CE2-CB 4.06Å; Y39-F55 AromaticContact CE2-CD2 3.85Å; Y39-F55 HydrophobicContact CE2-CD2 3.85Å; Y39-F55 HydrophobicContact CE2-CG 4.45Å; Y39-F55 HydrophobicContact CG-CB 4.18Å; Y39-F55 HydrophobicContact CG-CD2 4.13Å; Y39-F55 VanDerWaalsContact CZ-CA 3.43Å; Y39-F55 WeakPolarHBondContact OH-CA 3.22Å; Y39-F55 PolarHBondContact OH-N 3.46Å; N51-F55 VanDerWaalsContact O-CB 3.27Å; N51-F55 WeakPolarHBondContact O-CB 3.45Å; N51-F55 PolarHBondContact O-N 3.3Å; L53-F55 PolarHBondContact O-N 2.97Å; F55-E57 VanDerWaalsContact C-N 3.31Å; F55-E57 PolarHBondContact O-N 3.34Å; F55-D58 PolarHBondContact O-N 3.47Å; F55-V59 HydrophobicContact CD1-CG2 4.48Å; F55-V59 HydrophobicContact CD2-CG2 4.27Å; F55-V59 HydrophobicContact CE1-CG2 4Å; F55-V59 HydrophobicContact CE2-CG2 3.79Å; F55-V59 HydrophobicContact CZ-CG2 3.64Å; F55-V59 VanDerWaalsContact O-CG2 3.28Å; F55-V59 WeakPolarHBondContact O-CG2 3.28Å; F55-V59 PolarHBondContact O-N 3.07Å; F55-I73 HydrophobicContact CE2-CD1 4.49Å; F55-I73 HydrophobicContact CE2-CG1 4.34Å; F55-I73 HydrophobicContact CE2-CG2 4.41Å; F55-I73 HydrophobicContact CZ-CD1 3.68Å; F55-I73 HydrophobicContact CZ-CG1 4Å; F55-I73 HydrophobicContact CZ-CG2 4.27Å; F55-M85 HydrophobicContact CB-CE 3.48Å; F55-M85 VanDerWaalsContact CB-CE 3.48Å; F55-M85 HydrophobicContact CD1-CB 4.18Å; F55-M85 HydrophobicContact CD1-CE 3.36Å; F55-M85 HydrophobicContact CD2-CE 3.83Å; F55-M85 HydrophobicContact CE1-CB 3.66Å; F55-M85 HydrophobicContact CE1-CE 4.04Å; F55-M85 VanDerWaalsContact CE1-O 3.27Å; F55-M85 WeakPolarHBondContact CE1-O 3.41Å; F55-M85 HydrophobicContact CE2-CB 4.15Å; F55-M85 HydrophobicContact CE2-CE 4.42Å; F55-M85 HydrophobicContact CG-CE 3.23Å; F55-M85 HydrophobicContact CZ-CB 3.63Å
56	C	98.2	Very high	96.6	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-65.4	-39	-179.8	-65.4	0	0	0	0	111.3	M52 L53 V59 H60 Y89 Y92	M52-C56 PolarHBondContact O-N 3.31Å; M52-C56 VanDerWaalsContact O-N 3.16Å; M52-C56 PolarHBondContact O-SG 3.37Å; L53-C56 WeakPolarHBondContact O-CA 3.47Å; L53-C56 WeakPolarHBondContact O-CB 3.34Å; L53-C56 PolarHBondContact O-N 2.86Å; C56-V59 PolarHBondContact O-N 3.45Å; C56-H60 WeakPolarHBondContact O-CB 3.44Å; C56-H60 PolarHBondContact O-N 3.43Å; C56-Y89 HydrophobicContact CB-CD2 4.35Å; C56-Y92 HydrophobicContact CB-CD1 3.81Å; C56-Y92 HydrophobicContact CB-CD2 3.66Å; C56-Y92 HydrophobicContact CB-CE1 4.3Å; C56-Y92 HydrophobicContact CB-CE2 4.15Å; C56-Y92 HydrophobicContact CB-CG 3.47Å; C56-Y92 VanDerWaalsContact CB-CG 3.47Å
57	E	97.9	Very high	96.7	Very high	87 Å²	87	58.4 Å²	58.4	41%	0.407	31%	0.312	S	S	.	.	H	α-helix	trans	-63	-46.4	176.1	-70.5	170.9	169.8	0	0	111.8	L53 P54 F55 V59 H60 Q61 Y92	L53-E57 HydrophobicContact CD1-CG 4.25Å; L53-E57 HydrophobicContact CG-CG 4.5Å; L53-E57 PolarHBondContact O-N 2.71Å; P54-E57 PolarHBondContact O-N 3.1Å; F55-E57 VanDerWaalsContact C-N 3.31Å; F55-E57 PolarHBondContact O-N 3.34Å; E57-V59 PolarHBondContact O-N 2.94Å; E57-H60 PolarHBondContact O-N 3.14Å; E57-Q61 VanDerWaalsContact O-CB 3.22Å; E57-Q61 WeakPolarHBondContact O-CB 3.2Å; E57-Q61 PolarHBondContact O-N 2.74Å; E57-Y92 HydrophobicContact CG-CE2 4.42Å
58	D	97.8	Very high	96.9	Very high	72 Å²	72	67.3 Å²	67.3	39%	0.385	35%	0.345	S	S	.	.	H	α-helix	trans	-59.2	-47.2	176.2	-91	19	0	0	0	111.7	Y39 P54 F55 W62	Y39-D58 PolarHBondContact OH-OD2 3.48Å; P54-D58 WeakPolarHBondContact O-CB 3.29Å; P54-D58 PolarHBondContact O-N 2.89Å; F55-D58 PolarHBondContact O-N 3.47Å; D58-W62 PolarHBondContact O-N 3.14Å; D58-W62 VanDerWaalsContact O-N 3.08Å
59	V	98.3	Very high	97	Very high	8 Å²	8	66.5 Å²	66.5	5%	0.048	34%	0.337	C	S	.	.	H	α-helix	trans	-63.2	-46.2	177.9	173	0	0	0	0	110.5	F55 C56 E57 W62 L63 V71 Y89	F55-V59 HydrophobicContact CD1-CG2 4.48Å; F55-V59 HydrophobicContact CD2-CG2 4.27Å; F55-V59 HydrophobicContact CE1-CG2 4Å; F55-V59 HydrophobicContact CE2-CG2 3.79Å; F55-V59 HydrophobicContact CZ-CG2 3.64Å; F55-V59 VanDerWaalsContact O-CG2 3.28Å; F55-V59 WeakPolarHBondContact O-CG2 3.28Å; F55-V59 PolarHBondContact O-N 3.07Å; C56-V59 PolarHBondContact O-N 3.45Å; E57-V59 PolarHBondContact O-N 2.94Å; V59-W62 PolarHBondContact O-N 3.2Å; V59-L63 HydrophobicContact CG1-CD1 3.73Å; V59-L63 HydrophobicContact CG1-CG 4.45Å; V59-L63 WeakPolarHBondContact O-CB 3.27Å; V59-L63 WeakPolarHBondContact O-CG 3.44Å; V59-L63 PolarHBondContact O-N 2.96Å; V59-V71 HydrophobicContact CG1-CG2 4.14Å; V59-V71 HydrophobicContact CG2-CG1 4.24Å; V59-Y89 HydrophobicContact CB-CD2 3.89Å; V59-Y89 HydrophobicContact CB-CE2 3.93Å; V59-Y89 HydrophobicContact CG1-CD1 4.07Å; V59-Y89 HydrophobicContact CG1-CD2 3.57Å; V59-Y89 HydrophobicContact CG1-CE1 3.97Å; V59-Y89 HydrophobicContact CG1-CE2 3.45Å; V59-Y89 VanDerWaalsContact CG1-CE2 3.45Å; V59-Y89 HydrophobicContact CG1-CG 3.89Å
60	H	98.3	Very high	97.1	Very high	74 Å²	74	71.3 Å²	71.3	34%	0.343	37%	0.367	S	S	.	.	H	α-helix	trans	-64	-46.3	-179.8	-169.3	61.4	0	0	0	111.4	C56 E57 W62 L63 S64 Y89 Y92	C56-H60 WeakPolarHBondContact O-CB 3.44Å; C56-H60 PolarHBondContact O-N 3.43Å; E57-H60 PolarHBondContact O-N 3.14Å; H60-W62 VanDerWaalsContact C-N 3.27Å; H60-W62 PolarHBondContact O-N 2.75Å; H60-L63 PolarHBondContact O-N 3.38Å; H60-S64 PolarHBondContact CE1-OG 3.22Å; H60-S64 VanDerWaalsContact CE1-OG 3.31Å; H60-S64 PolarHBondContact NE2-OG 3.16Å; H60-S64 VanDerWaalsContact O-CB 3.23Å; H60-S64 WeakPolarHBondContact O-CB 3.5Å; H60-S64 PolarHBondContact O-N 3.16Å; H60-S64 PolarHBondContact O-OG 3.21Å; H60-Y89 HydrophobicContact CB-CE2 3.97Å; H60-Y92 HydrophobicContact CB-CE1 3.85Å; H60-Y92 AromaticContact CG-CE1 3.97Å
61	Q	97.9	Very high	97.2	Very high	123 Å²	123	68.8 Å²	68.8	58%	0.575	36%	0.359	S	S	*	.	H	α-helix	trans	-59.1	-39.9	178.4	-179.1	-178.7	-18.5	0	0	111.4	E57 Q65	E57-Q61 VanDerWaalsContact O-CB 3.22Å; E57-Q61 WeakPolarHBondContact O-CB 3.2Å; E57-Q61 PolarHBondContact O-N 2.74Å; Q61-Q65 VanDerWaalsContact O-CG 3.31Å; Q61-Q65 WeakPolarHBondContact O-CG 3.35Å; Q61-Q65 PolarHBondContact O-NE2 3.45Å
62	W	97.3	Very high	97.3	Very high	64 Å²	64	70.5 Å²	70.5	24%	0.242	38%	0.381	C	S	.	.	H	α-helix	trans	-68.3	-48.3	176.6	178.7	-98.6	0	0	0	112	R35 D58 V59 H60 S64 Q65 N69 V70 V71	R35-W62 HydrophobicContact CG-CH2 4.46Å; R35-W62 HydrophobicContact CG-CZ3 4.43Å; R35-W62 VanDerWaalsContact NH1-CH2 3.32Å; R35-W62 VanDerWaalsContact NH1-CZ2 3.27Å; D58-W62 PolarHBondContact O-N 3.14Å; D58-W62 VanDerWaalsContact O-N 3.08Å; V59-W62 PolarHBondContact O-N 3.2Å; H60-W62 VanDerWaalsContact C-N 3.27Å; H60-W62 PolarHBondContact O-N 2.75Å; W62-S64 VanDerWaalsContact C-N 3.31Å; W62-S64 PolarHBondContact O-N 2.8Å; W62-Q65 PolarHBondContact O-N 2.59Å; W62-N69 HydrophobicContact CZ2-CB 4.46Å; W62-N69 WeakPolarHBondContact O-CB 3.42Å; W62-N69 PolarHBondContact O-ND2 3.31Å; W62-V70 PolarHBondContact NE1-O 3.49Å; W62-V71 HydrophobicContact CB-CG2 4.37Å; W62-V71 HydrophobicContact CG-CG2 4.12Å
63	L	97.6	Very high	97.1	Very high	55 Å²	55	72.8 Å²	72.8	29%	0.288	39%	0.393	S	S	.	.	H	α-helix	trans	-67.7	-30.6	-178	-68.8	173.1	0	0	0	112.8	V59 H60 Q65 N69 V71 Y89	V59-L63 HydrophobicContact CG1-CD1 3.73Å; V59-L63 HydrophobicContact CG1-CG 4.45Å; V59-L63 WeakPolarHBondContact O-CB 3.27Å; V59-L63 WeakPolarHBondContact O-CG 3.44Å; V59-L63 PolarHBondContact O-N 2.96Å; H60-L63 PolarHBondContact O-N 3.38Å; L63-Q65 VanDerWaalsContact C-N 3.32Å; L63-Q65 PolarHBondContact O-N 2.93Å; L63-N69 WeakPolarHBondContact CD2-O 3.38Å; L63-V71 HydrophobicContact CD1-CG2 4.31Å; L63-V71 HydrophobicContact CD2-CG2 3.91Å; L63-V71 HydrophobicContact CG-CG2 3.88Å; L63-Y89 HydrophobicContact CD1-CE1 3.88Å; L63-Y89 VanDerWaalsContact CD1-OH 3.29Å; L63-Y89 WeakPolarHBondContact CD1-OH 3.47Å
64	S	97.3	Very high	96.9	Very high	77 Å²	77	74.6 Å²	74.6	54%	0.538	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-12.9	-179.9	-65.6	0	0	0	0	114.2	H60 W62	H60-S64 PolarHBondContact CE1-OG 3.22Å; H60-S64 VanDerWaalsContact CE1-OG 3.31Å; H60-S64 PolarHBondContact NE2-OG 3.16Å; H60-S64 VanDerWaalsContact O-CB 3.23Å; H60-S64 WeakPolarHBondContact O-CB 3.5Å; H60-S64 PolarHBondContact O-N 3.16Å; H60-S64 PolarHBondContact O-OG 3.21Å; W62-S64 VanDerWaalsContact C-N 3.31Å; W62-S64 PolarHBondContact O-N 2.8Å
65	Q	97.2	Very high	96.6	Very high	118 Å²	118	73.6 Å²	73.6	55%	0.551	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-34.4	-179.8	-80.5	166.4	47.5	0	0	113.8	Q61 W62 L63	Q61-Q65 VanDerWaalsContact O-CG 3.31Å; Q61-Q65 WeakPolarHBondContact O-CG 3.35Å; Q61-Q65 PolarHBondContact O-NE2 3.45Å; W62-Q65 PolarHBondContact O-N 2.59Å; L63-Q65 VanDerWaalsContact C-N 3.32Å; L63-Q65 PolarHBondContact O-N 2.93Å
66	D	97.6	Very high	96	Very high	51 Å²	51	79.7 Å²	79.7	27%	0.273	42%	0.419	S	S	.	.			trans	-158	136.1	-178.5	-170.1	-47.3	0	0	0	108.7	R68 N69	D66-R68 PolarHBondContact O-N 3.09Å; D66-R68 VanDerWaalsContact O-N 3.08Å; D66-R68 VanDerWaalsContact OD1-CB 3.31Å; D66-R68 WeakPolarHBondContact OD1-CB 3.48Å; D66-R68 WeakPolarHBondContact OD1-CG 2.97Å; D66-R68 IonicContact OD1-CZ 3.91Å; D66-R68 PolarHBondContact OD1-N 3.17Å; D66-R68 IonicContact OD1-NE 3.32Å; D66-R68 PolarHBondContact OD1-NE 3.36Å; D66-R68 IonicContact OD1-NH2 3.89Å; D66-R68 IonicContact OD2-CZ 3.43Å; D66-R68 IonicContact OD2-NE 2.94Å; D66-R68 PolarHBondContact OD2-NE 2.85Å; D66-R68 IonicContact OD2-NH2 2.7Å; D66-R68 PolarHBondContact OD2-NH2 3.36Å; D66-N69 VanDerWaalsContact O-CB 3.25Å; D66-N69 WeakPolarHBondContact O-CB 3.42Å; D66-N69 PolarHBondContact O-N 3.01Å
67	S	96.9	Very high	95.4	Very high	125 Å²	125	83.2 Å²	83.2	87%	0.874	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-14.9	179.3	58.9	0	0	0	0	113.9
68	R	97.3	Very high	94.9	Very high	194 Å²	194	79.4 Å²	79.4	73%	0.732	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-7.2	174.6	-57.8	171.6	-64.8	169.7	2.8	112.9	D66	D66-R68 PolarHBondContact O-N 3.09Å; D66-R68 VanDerWaalsContact O-N 3.08Å; D66-R68 VanDerWaalsContact OD1-CB 3.31Å; D66-R68 WeakPolarHBondContact OD1-CB 3.48Å; D66-R68 WeakPolarHBondContact OD1-CG 2.97Å; D66-R68 IonicContact OD1-CZ 3.91Å; D66-R68 PolarHBondContact OD1-N 3.17Å; D66-R68 IonicContact OD1-NE 3.32Å; D66-R68 PolarHBondContact OD1-NE 3.36Å; D66-R68 IonicContact OD1-NH2 3.89Å; D66-R68 IonicContact OD2-CZ 3.43Å; D66-R68 IonicContact OD2-NE 2.94Å; D66-R68 PolarHBondContact OD2-NE 2.85Å; D66-R68 IonicContact OD2-NH2 2.7Å; D66-R68 PolarHBondContact OD2-NH2 3.36Å
69	N	96.9	Very high	94.6	Very high	36 Å²	36	79.5 Å²	79.5	19%	0.193	43%	0.429	C	S	.	.			trans	-68.8	138.9	179	-75.9	-11.7	0	0	0	110.7	W62 L63 D66	W62-N69 HydrophobicContact CZ2-CB 4.46Å; W62-N69 WeakPolarHBondContact O-CB 3.42Å; W62-N69 PolarHBondContact O-ND2 3.31Å; L63-N69 WeakPolarHBondContact CD2-O 3.38Å; D66-N69 VanDerWaalsContact O-CB 3.25Å; D66-N69 WeakPolarHBondContact O-CB 3.42Å; D66-N69 PolarHBondContact O-N 3.01Å
70	V	96.4	Very high	94.4	Very high	118 Å²	118	79.8 Å²	79.8	72%	0.715	43%	0.434	S	S	*	.			trans	-128.7	143.2	178.7	179.3	0	0	0	0	108.6	W62	W62-V70 PolarHBondContact NE1-O 3.49Å
71	V	96.2	Very high	94.2	Very high	49 Å²	49	77.6 Å²	77.6	30%	0.297	42%	0.423	S	S	.	.			trans	-111.7	133.9	170.9	-178.9	0	0	0	0	109.4	V59 W62 L63 I73	V59-V71 HydrophobicContact CG1-CG2 4.14Å; V59-V71 HydrophobicContact CG2-CG1 4.24Å; W62-V71 HydrophobicContact CB-CG2 4.37Å; W62-V71 HydrophobicContact CG-CG2 4.12Å; L63-V71 HydrophobicContact CD1-CG2 4.31Å; L63-V71 HydrophobicContact CD2-CG2 3.91Å; L63-V71 HydrophobicContact CG-CG2 3.88Å; V71-I73 HydrophobicContact CG1-CD1 4.42Å; V71-I73 HydrophobicContact CG1-CG1 3.83Å
72	A	94.6	Very high	94.1	Very high	94 Å²	94	72 Å²	72	78%	0.777	40%	0.397	S	S	*	.			trans	-104.8	115.7	168.9	0	0	0	0	0	109.5
73	I	94.8	Very high	94.1	Very high	49 Å²	49	68.9 Å²	68.9	25%	0.251	39%	0.385	S	S	.	.			trans	-107.5	125.5	176.6	-54.9	156.2	0	0	0	107.4	F55 V71 T82 M85 I86	F55-I73 HydrophobicContact CE2-CD1 4.49Å; F55-I73 HydrophobicContact CE2-CG1 4.34Å; F55-I73 HydrophobicContact CE2-CG2 4.41Å; F55-I73 HydrophobicContact CZ-CD1 3.68Å; F55-I73 HydrophobicContact CZ-CG1 4Å; F55-I73 HydrophobicContact CZ-CG2 4.27Å; V71-I73 HydrophobicContact CG1-CD1 4.42Å; V71-I73 HydrophobicContact CG1-CG1 3.83Å; I73-T82 HydrophobicContact CB-CG2 4.45Å; I73-T82 HydrophobicContact CG2-CG2 4.13Å; I73-T82 WeakPolarHBondContact O-CG2 3.34Å; I73-M85 HydrophobicContact CG2-CB 4.47Å; I73-I86 HydrophobicContact CB-CG1 4.33Å; I73-I86 HydrophobicContact CD1-CD1 4.47Å; I73-I86 HydrophobicContact CD1-CG1 3.62Å; I73-I86 HydrophobicContact CG2-CG1 4.46Å
74	H	91.8	Very high	94.1	Very high	109 Å²	109	66.3 Å²	66.3	51%	0.505	37%	0.372	S	S	.	.			trans	-146.5	160.3	-179.4	77.3	89.2	0	0	0	112.1	Y27 T82	Y27-H74 AromaticContact CE2-CE1 3.37Å; Y27-H74 WeakPolarHBondContact CE2-CE1 3.31Å; Y27-H74 AromaticContact CE2-NE2 3.84Å; Y27-H74 AromaticContact CZ-CE1 3.6Å; Y27-H74 PolarHBondContact OH-CE1 3.01Å; H74-T82 VanDerWaalsContact C-OG1 3.28Å; H74-T82 WeakPolarHBondContact CA-OG1 3.41Å
75	C	89.7	Confident	94.2	Very high	29 Å²	29	63 Å²	63	20%	0.196	35%	0.348	C	S	.	.			trans	-127.9	-148.4	166.8	71.6	0	0	0	0	107.8	G78 R81 T82	C75-G78 PolarHBondContact SG-N 3.39Å; C75-R81 HydrophobicContact CB-CB 3.91Å; C75-T82 PolarHBondContact N-OG1 2.98Å; C75-T82 PolarHBondContact SG-OG1 3.4Å; C75-T82 VanDerWaalsContact SG-OG1 3.36Å
76	K	85.1	Confident	94.2	Very high	142 Å²	142	59.5 Å²	59.5	62%	0.617	33%	0.332	S	S	*	.	S	Bend	trans	-72.8	-43.2	174.7	-169.5	174.9	-174.3	172.9	0	113.6
77	A	86.5	Confident	94.2	Very high	74 Å²	74	57 Å²	57	61%	0.612	32%	0.319	S	S	*	.	S	Bend	trans	-107.9	-8.7	179.5	0	0	0	0	0	113.2	K79 R110	A77-K79 VanDerWaalsContact C-N 3.26Å; A77-K79 HydrophobicContact CB-CB 4.37Å; A77-K79 PolarHBondContact O-N 3.4Å; A77-R110 PolarHBondContact O-NH2 3Å
78	G	88.1	Confident	94.3	Very high	6 Å²	6	51.1 Å²	51.1	6%	0.062	28%	0.278	C	S	.	.	S	Bend	trans	61.9	30.8	-175.2	0	0	0	0	0	113.7	C75 T82 Y106 R110	C75-G78 PolarHBondContact SG-N 3.39Å; G78-T82 WeakPolarHBondContact CA-OG1 3.27Å; G78-Y106 PolarHBondContact O-OH 3.48Å; G78-Y106 VanDerWaalsContact O-OH 3.09Å; G78-R110 PolarHBondContact O-NE 3.29Å; G78-R110 PolarHBondContact O-NH2 3Å; G78-R110 VanDerWaalsContact O-NH2 3.16Å
79	K	91.7	Very high	94.4	Very high	74 Å²	74	43.6 Å²	43.6	32%	0.322	25%	0.249	S	C	.	.	S	Bend	trans	-117	-95.3	-171.3	-171	179.2	-177.3	177.8	0	111.8	A77 G83 Y106 N115 G116	A77-K79 VanDerWaalsContact C-N 3.26Å; A77-K79 HydrophobicContact CB-CB 4.37Å; A77-K79 PolarHBondContact O-N 3.4Å; K79-G83 WeakPolarHBondContact O-CA 3.35Å; K79-G83 PolarHBondContact O-N 3.34Å; K79-Y106 PolarHBondContact O-OH 2.89Å; K79-N115 WeakPolarHBondContact CE-O 3.49Å; K79-N115 PolarHBondContact NZ-O 3Å; K79-N115 VanDerWaalsContact NZ-O 3.1Å; K79-G116 WeakPolarHBondContact CG-O 3.37Å
80	G	93.7	Very high	94.5	Very high	15 Å²	15	43 Å²	43	16%	0.155	25%	0.247	C	C	.	.	H	α-helix	trans	-61.3	-62	-175.1	0	0	0	0	0	113.7	T82 G83 V84	G80-T82 PolarHBondContact O-N 3.19Å; G80-G83 PolarHBondContact O-N 3.04Å; G80-G83 VanDerWaalsContact O-N 3.14Å; G80-V84 WeakPolarHBondContact O-CG2 3.36Å; G80-V84 PolarHBondContact O-N 2.98Å
81	R	94.8	Very high	94.6	Very high	27 Å²	27	38 Å²	38	10%	0.102	22%	0.215	C	C	.	.	H	α-helix	trans	-59	-45.7	-177.6	-63.6	-166.9	-88.7	159.8	-4.5	113	E24 F41 D43 C75 V84 M85	E24-R81 IonicContact OE1-CZ 2.74Å; E24-R81 IonicContact OE1-NH1 3.82Å; E24-R81 PolarHBondContact OE1-NH1 3.41Å; F41-R81 HydrophobicContact CD2-CG 4.05Å; F41-R81 HydrophobicContact CE1-CB 4.13Å; F41-R81 HydrophobicContact CE2-CB 3.67Å; F41-R81 HydrophobicContact CE2-CG 3.37Å; F41-R81 HydrophobicContact CZ-CB 3.38Å; F41-R81 HydrophobicContact CZ-CG 3.68Å; F41-R81 PolarHBondContact O-NH1 3.41Å; F41-R81 VanDerWaalsContact O-NH1 3.09Å; D43-R81 IonicContact OD1-CZ 3.14Å; D43-R81 VanDerWaalsContact OD1-CZ 3.26Å; D43-R81 IonicContact OD1-NE 3.26Å; D43-R81 PolarHBondContact OD1-NE 3.39Å; D43-R81 IonicContact OD1-NH2 3.86Å; D43-R81 PolarHBondContact OD1-NH2 2.95Å; C75-R81 HydrophobicContact CB-CB 3.91Å; R81-V84 PolarHBondContact O-N 2.95Å; R81-M85 PolarHBondContact O-N 3.5Å
82	T	95.3	Very high	94.7	Very high	5 Å²	5	39 Å²	39	3%	0.031	21%	0.214	C	C	.	.	H	α-helix	trans	-60.3	-45.2	175	-61.8	0	0	0	0	111.7	I73 H74 C75 G78 G80 V84 M85 I86	I73-T82 HydrophobicContact CB-CG2 4.45Å; I73-T82 HydrophobicContact CG2-CG2 4.13Å; I73-T82 WeakPolarHBondContact O-CG2 3.34Å; H74-T82 VanDerWaalsContact C-OG1 3.28Å; H74-T82 WeakPolarHBondContact CA-OG1 3.41Å; C75-T82 PolarHBondContact N-OG1 2.98Å; C75-T82 PolarHBondContact SG-OG1 3.4Å; C75-T82 VanDerWaalsContact SG-OG1 3.36Å; G78-T82 WeakPolarHBondContact CA-OG1 3.27Å; G80-T82 PolarHBondContact O-N 3.19Å; T82-V84 PolarHBondContact O-N 3.37Å; T82-M85 PolarHBondContact O-N 3.4Å; T82-I86 HydrophobicContact CG2-CD1 3.58Å; T82-I86 HydrophobicContact CG2-CG1 4.38Å; T82-I86 WeakPolarHBondContact O-CG1 3.42Å; T82-I86 PolarHBondContact O-N 3.31Å
83	G	97	Very high	94.8	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-62.3	-40.7	178.6	0	0	0	0	0	113.7	K79 G80 M85 I86 C87 Y106	K79-G83 WeakPolarHBondContact O-CA 3.35Å; K79-G83 PolarHBondContact O-N 3.34Å; G80-G83 PolarHBondContact O-N 3.04Å; G80-G83 VanDerWaalsContact O-N 3.14Å; G83-M85 VanDerWaalsContact C-N 3.3Å; G83-M85 PolarHBondContact O-N 3.18Å; G83-I86 PolarHBondContact O-N 2.71Å; G83-C87 VanDerWaalsContact O-CB 3.3Å; G83-C87 WeakPolarHBondContact O-CB 3.49Å; G83-C87 PolarHBondContact O-N 3.13Å; G83-C87 PolarHBondContact O-SG 3.03Å; G83-Y106 WeakPolarHBondContact CA-OH 3.2Å; G83-Y106 PolarHBondContact N-OH 3.17Å
84	V	97.9	Very high	94.9	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-56	-48.3	176	173.3	0	0	0	0	110.8	P47 M52 G80 R81 T82 A88 V117 Q122 V126	P47-V84 HydrophobicContact CG-CG1 3.76Å; M52-V84 HydrophobicContact CE-CG1 4.25Å; G80-V84 WeakPolarHBondContact O-CG2 3.36Å; G80-V84 PolarHBondContact O-N 2.98Å; R81-V84 PolarHBondContact O-N 2.95Å; T82-V84 PolarHBondContact O-N 3.37Å; V84-A88 WeakPolarHBondContact O-CB 3.23Å; V84-A88 PolarHBondContact O-N 3.28Å; V84-V117 HydrophobicContact CG2-CG1 3.78Å; V84-V117 HydrophobicContact CG2-CG2 4.33Å; V84-Q122 HydrophobicContact CG2-CB 3.54Å; V84-Q122 HydrophobicContact CG2-CG 3.94Å; V84-V126 HydrophobicContact CB-CG2 4.35Å; V84-V126 HydrophobicContact CG1-CG2 3.94Å; V84-V126 HydrophobicContact CG2-CG2 4.4Å
85	M	98.1	Very high	95.2	Very high	8 Å²	8	38.3 Å²	38.3	4%	0.039	21%	0.212	C	C	.	.	H	α-helix	trans	-72.3	-38.3	-177.5	-56	-50.9	-63.3	0	0	112.1	F41 P47 M52 F55 I73 R81 T82 G83 A88 Y89	F41-M85 HydrophobicContact CE1-CG 4.03Å; F41-M85 HydrophobicContact CE1-SD 4.05Å; F41-M85 HydrophobicContact CZ-CG 4.35Å; F41-M85 HydrophobicContact CZ-SD 4.41Å; P47-M85 HydrophobicContact CB-SD 4.11Å; P47-M85 HydrophobicContact CG-SD 4.02Å; M52-M85 HydrophobicContact CG-CE 4.47Å; F55-M85 HydrophobicContact CB-CE 3.48Å; F55-M85 VanDerWaalsContact CB-CE 3.48Å; F55-M85 HydrophobicContact CD1-CB 4.18Å; F55-M85 HydrophobicContact CD1-CE 3.36Å; F55-M85 HydrophobicContact CD2-CE 3.83Å; F55-M85 HydrophobicContact CE1-CB 3.66Å; F55-M85 HydrophobicContact CE1-CE 4.04Å; F55-M85 VanDerWaalsContact CE1-O 3.27Å; F55-M85 WeakPolarHBondContact CE1-O 3.41Å; F55-M85 HydrophobicContact CE2-CB 4.15Å; F55-M85 HydrophobicContact CE2-CE 4.42Å; F55-M85 HydrophobicContact CG-CE 3.23Å; F55-M85 HydrophobicContact CZ-CB 3.63Å; I73-M85 HydrophobicContact CG2-CB 4.47Å; R81-M85 PolarHBondContact O-N 3.5Å; T82-M85 PolarHBondContact O-N 3.4Å; G83-M85 VanDerWaalsContact C-N 3.3Å; G83-M85 PolarHBondContact O-N 3.18Å; M85-A88 WeakPolarHBondContact O-CB 3.39Å; M85-A88 PolarHBondContact O-N 3.41Å; M85-Y89 PolarHBondContact O-N 2.94Å
86	I	98.1	Very high	95.6	Very high	44 Å²	44	39.1 Å²	39.1	23%	0.226	21%	0.212	C	C	.	.	H	α-helix	trans	-63	-45.8	173.9	-70.9	169.9	0	0	0	110.9	I73 T82 G83 A88 Y89 L90 Y106	I73-I86 HydrophobicContact CB-CG1 4.33Å; I73-I86 HydrophobicContact CD1-CD1 4.47Å; I73-I86 HydrophobicContact CD1-CG1 3.62Å; I73-I86 HydrophobicContact CG2-CG1 4.46Å; T82-I86 HydrophobicContact CG2-CD1 3.58Å; T82-I86 HydrophobicContact CG2-CG1 4.38Å; T82-I86 WeakPolarHBondContact O-CG1 3.42Å; T82-I86 PolarHBondContact O-N 3.31Å; G83-I86 PolarHBondContact O-N 2.71Å; I86-A88 VanDerWaalsContact C-N 3.29Å; I86-A88 PolarHBondContact O-N 3.09Å; I86-Y89 PolarHBondContact O-N 2.95Å; I86-L90 HydrophobicContact CG2-CD1 3.93Å; I86-L90 HydrophobicContact CG2-CG 4.36Å; I86-L90 WeakPolarHBondContact O-CG 3.36Å; I86-L90 PolarHBondContact O-N 2.9Å; I86-Y106 HydrophobicContact CB-CD2 4.2Å; I86-Y106 HydrophobicContact CB-CE2 4.35Å; I86-Y106 HydrophobicContact CD1-CD2 4.25Å; I86-Y106 HydrophobicContact CD1-CE2 3.7Å; I86-Y106 HydrophobicContact CG2-CD2 3.9Å; I86-Y106 HydrophobicContact CG2-CE2 4.41Å
87	C	98.5	Very high	95.9	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-61.5	-40.2	176.7	-65.3	0	0	0	0	111.2	G83 Y89 L90 L91 A102 V126	G83-C87 VanDerWaalsContact O-CB 3.3Å; G83-C87 WeakPolarHBondContact O-CB 3.49Å; G83-C87 PolarHBondContact O-N 3.13Å; G83-C87 PolarHBondContact O-SG 3.03Å; C87-Y89 VanDerWaalsContact C-N 3.35Å; C87-Y89 PolarHBondContact O-N 3.24Å; C87-L90 PolarHBondContact O-N 2.95Å; C87-L91 WeakPolarHBondContact O-CD1 3.34Å; C87-L91 VanDerWaalsContact O-CG 3.26Å; C87-L91 WeakPolarHBondContact O-CG 3.46Å; C87-L91 PolarHBondContact O-N 3.47Å; C87-A102 HydrophobicContact CB-CB 4.1Å; C87-A102 PolarHBondContact SG-O 3.31Å; C87-A102 VanDerWaalsContact SG-O 3.41Å; C87-V126 HydrophobicContact CB-CG1 3.84Å; C87-V126 HydrophobicContact CB-CG2 4.24Å
88	A	98.4	Very high	96.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-58.1	-47.3	174.3	0	0	0	0	0	111.4	M52 V84 M85 I86 L91 Y92 F129	M52-A88 HydrophobicContact CE-CB 3.45Å; M52-A88 VanDerWaalsContact CE-CB 3.45Å; V84-A88 WeakPolarHBondContact O-CB 3.23Å; V84-A88 PolarHBondContact O-N 3.28Å; M85-A88 WeakPolarHBondContact O-CB 3.39Å; M85-A88 PolarHBondContact O-N 3.41Å; I86-A88 VanDerWaalsContact C-N 3.29Å; I86-A88 PolarHBondContact O-N 3.09Å; A88-L91 PolarHBondContact O-N 3.24Å; A88-Y92 WeakPolarHBondContact O-CB 3.41Å; A88-Y92 PolarHBondContact O-N 3.15Å; A88-F129 HydrophobicContact CB-CD1 3.77Å; A88-F129 HydrophobicContact CB-CE1 3.82Å; A88-F129 WeakPolarHBondContact O-CE1 3.39Å
89	Y	98.6	Very high	96.9	Very high	36 Å²	36	36 Å²	36	14%	0.141	20%	0.199	C	C	.	.	H	α-helix	trans	-63.4	-44.2	178.1	-178.9	-107.9	0	0	0	112.7	C56 V59 H60 L63 M85 I86 C87 L91 Y92 V93	C56-Y89 HydrophobicContact CB-CD2 4.35Å; V59-Y89 HydrophobicContact CB-CD2 3.89Å; V59-Y89 HydrophobicContact CB-CE2 3.93Å; V59-Y89 HydrophobicContact CG1-CD1 4.07Å; V59-Y89 HydrophobicContact CG1-CD2 3.57Å; V59-Y89 HydrophobicContact CG1-CE1 3.97Å; V59-Y89 HydrophobicContact CG1-CE2 3.45Å; V59-Y89 VanDerWaalsContact CG1-CE2 3.45Å; V59-Y89 HydrophobicContact CG1-CG 3.89Å; H60-Y89 HydrophobicContact CB-CE2 3.97Å; L63-Y89 HydrophobicContact CD1-CE1 3.88Å; L63-Y89 VanDerWaalsContact CD1-OH 3.29Å; L63-Y89 WeakPolarHBondContact CD1-OH 3.47Å; M85-Y89 PolarHBondContact O-N 2.94Å; I86-Y89 PolarHBondContact O-N 2.95Å; C87-Y89 VanDerWaalsContact C-N 3.35Å; C87-Y89 PolarHBondContact O-N 3.24Å; Y89-L91 VanDerWaalsContact C-N 3.27Å; Y89-L91 PolarHBondContact O-N 3.02Å; Y89-Y92 HydrophobicContact CD2-CD1 4.45Å; Y89-Y92 HydrophobicContact CE2-CD1 4.43Å; Y89-Y92 WeakPolarHBondContact O-CB 3.34Å; Y89-Y92 PolarHBondContact O-N 2.93Å; Y89-V93 HydrophobicContact CD2-CG1 4.34Å; Y89-V93 HydrophobicContact CE1-CG1 4.05Å; Y89-V93 HydrophobicContact CE1-CG2 4.34Å; Y89-V93 HydrophobicContact CE2-CG1 3.63Å; Y89-V93 VanDerWaalsContact CZ-CG1 3.45Å; Y89-V93 WeakPolarHBondContact O-CG2 3.33Å; Y89-V93 PolarHBondContact O-N 3.38Å; Y89-V93 WeakPolarHBondContact OH-CG1 3.49Å
90	L	98.5	Very high	97.2	Very high	25 Å²	25	37.7 Å²	37.7	13%	0.131	21%	0.211	C	C	.	.	H	α-helix	trans	-60.3	-37.3	177.6	-67.8	167.9	0	0	0	112.3	I86 C87 G94 E95 F96 Y105	I86-L90 HydrophobicContact CG2-CD1 3.93Å; I86-L90 HydrophobicContact CG2-CG 4.36Å; I86-L90 WeakPolarHBondContact O-CG 3.36Å; I86-L90 PolarHBondContact O-N 2.9Å; C87-L90 PolarHBondContact O-N 2.95Å; L90-G94 PolarHBondContact O-N 3.39Å; L90-E95 HydrophobicContact CD2-CB 4.3Å; L90-E95 HydrophobicContact CD2-CG 4.36Å; L90-E95 PolarHBondContact O-N 3.43Å; L90-F96 HydrophobicContact CB-CD2 3.97Å; L90-F96 HydrophobicContact CB-CE2 4.43Å; L90-F96 HydrophobicContact CD1-CD2 4.36Å; L90-F96 HydrophobicContact CD1-CE2 4.11Å; L90-Y105 HydrophobicContact CD1-CD1 3.84Å; L90-Y105 HydrophobicContact CD1-CE1 4.15Å
91	L	98.6	Very high	97.4	Very high	12 Å²	12	40.9 Å²	40.9	6%	0.063	22%	0.222	C	C	.	.	H	α-helix	trans	-68.3	-40.7	172.2	-68.5	163.6	0	0	0	111.8	C87 A88 Y89 G94 F96 A102 V126 L133	C87-L91 WeakPolarHBondContact O-CD1 3.34Å; C87-L91 VanDerWaalsContact O-CG 3.26Å; C87-L91 WeakPolarHBondContact O-CG 3.46Å; C87-L91 PolarHBondContact O-N 3.47Å; A88-L91 PolarHBondContact O-N 3.24Å; Y89-L91 VanDerWaalsContact C-N 3.27Å; Y89-L91 PolarHBondContact O-N 3.02Å; L91-G94 PolarHBondContact O-N 3.31Å; L91-F96 HydrophobicContact CD2-CB 4.32Å; L91-A102 HydrophobicContact CD2-CB 4.22Å; L91-A102 HydrophobicContact CG-CB 4.05Å; L91-V126 HydrophobicContact CD1-CG1 3.59Å; L91-L133 HydrophobicContact CB-CD1 3.99Å
92	Y	98.2	Very high	97.5	Very high	69 Å²	69	39.6 Å²	39.6	27%	0.271	22%	0.217	S	C	.	.	H	α-helix	trans	-61.9	-43.4	-179.5	175.9	-92.8	0	0	0	112.5	L53 C56 E57 H60 A88 Y89 G94 L133	L53-Y92 HydrophobicContact CD1-CD2 3.97Å; L53-Y92 HydrophobicContact CD1-CE2 3.57Å; C56-Y92 HydrophobicContact CB-CD1 3.81Å; C56-Y92 HydrophobicContact CB-CD2 3.66Å; C56-Y92 HydrophobicContact CB-CE1 4.3Å; C56-Y92 HydrophobicContact CB-CE2 4.15Å; C56-Y92 HydrophobicContact CB-CG 3.47Å; C56-Y92 VanDerWaalsContact CB-CG 3.47Å; E57-Y92 HydrophobicContact CG-CE2 4.42Å; H60-Y92 HydrophobicContact CB-CE1 3.85Å; H60-Y92 AromaticContact CG-CE1 3.97Å; A88-Y92 WeakPolarHBondContact O-CB 3.41Å; A88-Y92 PolarHBondContact O-N 3.15Å; Y89-Y92 HydrophobicContact CD2-CD1 4.45Å; Y89-Y92 HydrophobicContact CE2-CD1 4.43Å; Y89-Y92 WeakPolarHBondContact O-CB 3.34Å; Y89-Y92 PolarHBondContact O-N 2.93Å; Y92-G94 PolarHBondContact O-N 2.93Å; Y92-L133 HydrophobicContact CD2-CD2 4.16Å
93	V	97.6	Very high	97.7	Very high	52 Å²	52	39.6 Å²	39.6	32%	0.315	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-2.2	177	-64.7	0	0	0	0	114	Y89 E95	Y89-V93 HydrophobicContact CD2-CG1 4.34Å; Y89-V93 HydrophobicContact CE1-CG1 4.05Å; Y89-V93 HydrophobicContact CE1-CG2 4.34Å; Y89-V93 HydrophobicContact CE2-CG1 3.63Å; Y89-V93 VanDerWaalsContact CZ-CG1 3.45Å; Y89-V93 WeakPolarHBondContact O-CG2 3.33Å; Y89-V93 PolarHBondContact O-N 3.38Å; Y89-V93 WeakPolarHBondContact OH-CG1 3.49Å; V93-E95 HydrophobicContact CG2-CB 4.33Å; V93-E95 HydrophobicContact CG2-CG 3.64Å
94	G	97.2	Very high	97.7	Very high	52 Å²	52	45.6 Å²	45.6	54%	0.536	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.3	15.1	177.3	0	0	0	0	0	115.3	L90 L91 Y92 F96	L90-G94 PolarHBondContact O-N 3.39Å; L91-G94 PolarHBondContact O-N 3.31Å; Y92-G94 PolarHBondContact O-N 2.93Å; G94-F96 PolarHBondContact O-N 2.97Å
95	E	97.5	Very high	97.7	Very high	134 Å²	134	50.4 Å²	50.4	63%	0.626	26%	0.264	S	S	*	.	S	Bend	trans	-62.7	-32.9	172.6	-71.6	-67.9	152.3	0	0	111.3	L90 V93	L90-E95 HydrophobicContact CD2-CB 4.3Å; L90-E95 HydrophobicContact CD2-CG 4.36Å; L90-E95 PolarHBondContact O-N 3.43Å; V93-E95 HydrophobicContact CG2-CB 4.33Å; V93-E95 HydrophobicContact CG2-CG 3.64Å
96	F	97.9	Very high	97.7	Very high	47 Å²	47	50.5 Å²	50.5	21%	0.206	26%	0.264	C	S	.	.			trans	-129.6	147.4	171.5	-61.6	-69.3	0	0	0	110.7	L90 L91 G94 E101 A102 Y105	L90-F96 HydrophobicContact CB-CD2 3.97Å; L90-F96 HydrophobicContact CB-CE2 4.43Å; L90-F96 HydrophobicContact CD1-CD2 4.36Å; L90-F96 HydrophobicContact CD1-CE2 4.11Å; L91-F96 HydrophobicContact CD2-CB 4.32Å; G94-F96 PolarHBondContact O-N 2.97Å; F96-E101 HydrophobicContact CB-CB 4.14Å; F96-E101 HydrophobicContact CD1-CB 3.58Å; F96-E101 HydrophobicContact CE1-CB 4.29Å; F96-E101 HydrophobicContact CG-CB 4.02Å; F96-A102 HydrophobicContact CB-CB 4.13Å; F96-A102 HydrophobicContact CD2-CB 3.86Å; F96-A102 HydrophobicContact CG-CB 4.22Å; F96-Y105 AromaticContact CE2-CD1 3.73Å; F96-Y105 HydrophobicContact CE2-CD1 3.73Å; F96-Y105 HydrophobicContact CE2-CD2 4.33Å; F96-Y105 HydrophobicContact CE2-CE1 4.43Å; F96-Y105 AromaticContact CE2-CG 3.67Å; F96-Y105 HydrophobicContact CE2-CG 3.67Å; F96-Y105 AromaticContact CZ-CD1 3.99Å; F96-Y105 HydrophobicContact CZ-CD1 3.99Å; F96-Y105 AromaticContact CZ-CD2 3.73Å; F96-Y105 HydrophobicContact CZ-CD2 3.73Å; F96-Y105 HydrophobicContact CZ-CE2 4.44Å; F96-Y105 AromaticContact CZ-CG 3.46Å; F96-Y105 HydrophobicContact CZ-CG 3.46Å; F96-Y105 VanDerWaalsContact CZ-CG 3.46Å
97	T	92.8	Very high	97.6	Very high	104 Å²	104	48.5 Å²	48.5	64%	0.638	25%	0.254	S	S	*	.	S	Bend	trans	-98.6	-17.7	179.8	66.3	0	0	0	0	112.8
98	C	95.6	Very high	97.5	Very high	41 Å²	41	54.2 Å²	54.2	28%	0.277	28%	0.28	S	S	.	.	S	Bend	trans	-128.2	147	177.6	82.5	0	0	0	0	112.8	N100 E101 A102	C98-N100 PolarHBondContact O-N 2.95Å; C98-E101 PolarHBondContact N-OE2 2.96Å; C98-E101 PolarHBondContact O-N 3.14Å; C98-E101 WeakPolarHBondContact SG-CG 3.3Å; C98-E101 PolarHBondContact SG-OE2 3.04Å; C98-A102 PolarHBondContact O-N 2.83Å
99	A	98.1	Very high	97.4	Very high	12 Å²	12	60 Å²	60	10%	0.099	31%	0.307	C	S	.	.	H	α-helix	trans	-57.5	-34.7	-178.8	0	0	0	0	0	113.6	A102 L103 V126	A99-A102 PolarHBondContact O-N 3.05Å; A99-L103 VanDerWaalsContact O-CB 3.32Å; A99-L103 WeakPolarHBondContact O-CB 3.26Å; A99-L103 WeakPolarHBondContact O-CD1 3.48Å; A99-L103 WeakPolarHBondContact O-CG 3.45Å; A99-L103 PolarHBondContact O-N 3.39Å; A99-V126 HydrophobicContact CB-CB 4.47Å; A99-V126 HydrophobicContact CB-CG1 3.84Å
100	N	97.9	Very high	97.2	Very high	108 Å²	108	64.7 Å²	64.7	58%	0.578	33%	0.325	S	S	*	.	H	α-helix	trans	-67.5	-42	-177.9	-73.3	-24.1	0	0	0	112.1	C98 L103 E104	C98-N100 PolarHBondContact O-N 2.95Å; N100-L103 PolarHBondContact O-N 3.06Å; N100-E104 VanDerWaalsContact O-CB 3.31Å; N100-E104 WeakPolarHBondContact O-CB 3.45Å; N100-E104 PolarHBondContact O-N 3.42Å
101	E	97.9	Very high	96.9	Very high	83 Å²	83	64.6 Å²	64.6	39%	0.388	33%	0.326	S	S	.	.	H	α-helix	trans	-60.8	-47.2	175.8	-74.1	162.7	167.8	0	0	111	F96 C98 L103 E104 Y105	F96-E101 HydrophobicContact CB-CB 4.14Å; F96-E101 HydrophobicContact CD1-CB 3.58Å; F96-E101 HydrophobicContact CE1-CB 4.29Å; F96-E101 HydrophobicContact CG-CB 4.02Å; C98-E101 PolarHBondContact N-OE2 2.96Å; C98-E101 PolarHBondContact O-N 3.14Å; C98-E101 WeakPolarHBondContact SG-CG 3.3Å; C98-E101 PolarHBondContact SG-OE2 3.04Å; E101-L103 VanDerWaalsContact C-N 3.34Å; E101-L103 PolarHBondContact O-N 2.84Å; E101-E104 PolarHBondContact O-N 3.2Å; E101-Y105 VanDerWaalsContact O-CB 3.3Å; E101-Y105 WeakPolarHBondContact O-CB 3.49Å; E101-Y105 PolarHBondContact O-N 3.04Å
102	A	98.4	Very high	96.6	Very high	0 Å²	0	71.6 Å²	71.6	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-61.1	-42.7	177.4	0	0	0	0	0	112.1	C87 L91 F96 C98 A99 Y106	C87-A102 HydrophobicContact CB-CB 4.1Å; C87-A102 PolarHBondContact SG-O 3.31Å; C87-A102 VanDerWaalsContact SG-O 3.41Å; L91-A102 HydrophobicContact CD2-CB 4.22Å; L91-A102 HydrophobicContact CG-CB 4.05Å; F96-A102 HydrophobicContact CB-CB 4.13Å; F96-A102 HydrophobicContact CD2-CB 3.86Å; F96-A102 HydrophobicContact CG-CB 4.22Å; C98-A102 PolarHBondContact O-N 2.83Å; A99-A102 PolarHBondContact O-N 3.05Å; A102-Y106 WeakPolarHBondContact O-CB 3.12Å; A102-Y106 PolarHBondContact O-N 3.42Å
103	L	98.4	Very high	96.3	Very high	5 Å²	5	72.5 Å²	72.5	3%	0.026	38%	0.378	C	S	.	.	H	α-helix	trans	-65.8	-40.4	178.2	-74.8	165.5	0	0	0	112.5	A99 N100 E101 G107 V117 R123 V126	A99-L103 VanDerWaalsContact O-CB 3.32Å; A99-L103 WeakPolarHBondContact O-CB 3.26Å; A99-L103 WeakPolarHBondContact O-CD1 3.48Å; A99-L103 WeakPolarHBondContact O-CG 3.45Å; A99-L103 PolarHBondContact O-N 3.39Å; N100-L103 PolarHBondContact O-N 3.06Å; E101-L103 VanDerWaalsContact C-N 3.34Å; E101-L103 PolarHBondContact O-N 2.84Å; L103-G107 PolarHBondContact O-N 2.93Å; L103-V117 HydrophobicContact CD2-CB 3.7Å; L103-V117 HydrophobicContact CD2-CG1 4.21Å; L103-V117 HydrophobicContact CD2-CG2 3.91Å; L103-R123 HydrophobicContact CD1-CB 4.15Å; L103-R123 HydrophobicContact CD1-CG 4.31Å; L103-R123 HydrophobicContact CD2-CG 4.38Å; L103-V126 HydrophobicContact CD1-CB 4.43Å; L103-V126 HydrophobicContact CD1-CG1 4.46Å; L103-V126 HydrophobicContact CD2-CG2 4.17Å; L103-V126 HydrophobicContact CG-CG1 4.26Å
104	E	97.6	Very high	96	Very high	126 Å²	126	74.4 Å²	74.4	59%	0.589	38%	0.384	S	S	*	.	H	α-helix	trans	-69.1	-47.7	178.4	-176.8	169.5	-163.1	0	0	111.1	N100 E101 Y106 G107 Q108 M114	N100-E104 VanDerWaalsContact O-CB 3.31Å; N100-E104 WeakPolarHBondContact O-CB 3.45Å; N100-E104 PolarHBondContact O-N 3.42Å; E101-E104 PolarHBondContact O-N 3.2Å; E104-Y106 PolarHBondContact O-N 3.37Å; E104-G107 WeakPolarHBondContact O-CA 3.45Å; E104-G107 PolarHBondContact O-N 3.33Å; E104-G107 VanDerWaalsContact O-N 3.12Å; E104-Q108 PolarHBondContact O-N 3.01Å; E104-M114 HydrophobicContact CG-CE 3.91Å
105	Y	98	Very high	95.7	Very high	101 Å²	101	75.4 Å²	75.4	40%	0.396	38%	0.378	S	S	.	.	H	α-helix	trans	-55.5	-49.8	174.1	175.7	-97	0	0	0	111.3	L90 F96 E101 G107 Q108 Q109	L90-Y105 HydrophobicContact CD1-CD1 3.84Å; L90-Y105 HydrophobicContact CD1-CE1 4.15Å; F96-Y105 AromaticContact CE2-CD1 3.73Å; F96-Y105 HydrophobicContact CE2-CD1 3.73Å; F96-Y105 HydrophobicContact CE2-CD2 4.33Å; F96-Y105 HydrophobicContact CE2-CE1 4.43Å; F96-Y105 AromaticContact CE2-CG 3.67Å; F96-Y105 HydrophobicContact CE2-CG 3.67Å; F96-Y105 AromaticContact CZ-CD1 3.99Å; F96-Y105 HydrophobicContact CZ-CD1 3.99Å; F96-Y105 AromaticContact CZ-CD2 3.73Å; F96-Y105 HydrophobicContact CZ-CD2 3.73Å; F96-Y105 HydrophobicContact CZ-CE2 4.44Å; F96-Y105 AromaticContact CZ-CG 3.46Å; F96-Y105 HydrophobicContact CZ-CG 3.46Å; F96-Y105 VanDerWaalsContact CZ-CG 3.46Å; E101-Y105 VanDerWaalsContact O-CB 3.3Å; E101-Y105 WeakPolarHBondContact O-CB 3.49Å; E101-Y105 PolarHBondContact O-N 3.04Å; Y105-G107 VanDerWaalsContact C-N 3.32Å; Y105-G107 PolarHBondContact O-N 2.95Å; Y105-Q108 PolarHBondContact O-N 2.9Å; Y105-Q109 HydrophobicContact CD1-CG 4.27Å; Y105-Q109 HydrophobicContact CD2-CG 4.24Å; Y105-Q109 HydrophobicContact CE1-CG 3.87Å; Y105-Q109 HydrophobicContact CE2-CG 3.85Å; Y105-Q109 HydrophobicContact CG-CG 4.45Å; Y105-Q109 WeakPolarHBondContact O-CG 3.44Å; Y105-Q109 PolarHBondContact O-N 3.49Å
106	Y	97.5	Very high	95.5	Very high	10 Å²	10	69.1 Å²	69.1	4%	0.039	35%	0.349	C	S	.	.	H	α-helix	trans	-59.9	-42.7	176.5	175.7	-100.5	0	0	0	112.2	G78 K79 G83 I86 A102 E104 Q108 Q109 R110 V117	G78-Y106 PolarHBondContact O-OH 3.48Å; G78-Y106 VanDerWaalsContact O-OH 3.09Å; K79-Y106 PolarHBondContact O-OH 2.89Å; G83-Y106 WeakPolarHBondContact CA-OH 3.2Å; G83-Y106 PolarHBondContact N-OH 3.17Å; I86-Y106 HydrophobicContact CB-CD2 4.2Å; I86-Y106 HydrophobicContact CB-CE2 4.35Å; I86-Y106 HydrophobicContact CD1-CD2 4.25Å; I86-Y106 HydrophobicContact CD1-CE2 3.7Å; I86-Y106 HydrophobicContact CG2-CD2 3.9Å; I86-Y106 HydrophobicContact CG2-CE2 4.41Å; A102-Y106 WeakPolarHBondContact O-CB 3.12Å; A102-Y106 PolarHBondContact O-N 3.42Å; E104-Y106 PolarHBondContact O-N 3.37Å; Y106-Q108 VanDerWaalsContact C-N 3.34Å; Y106-Q108 PolarHBondContact O-N 3.27Å; Y106-Q109 PolarHBondContact O-N 3.04Å; Y106-R110 HydrophobicContact CD2-CB 4.37Å; Y106-R110 HydrophobicContact CE1-CB 4.17Å; Y106-R110 HydrophobicContact CE1-CG 4.31Å; Y106-R110 HydrophobicContact CE2-CB 3.89Å; Y106-R110 HydrophobicContact CE2-CG 4.17Å; Y106-R110 VanDerWaalsContact O-CB 3.23Å; Y106-R110 WeakPolarHBondContact O-CB 3.44Å; Y106-R110 PolarHBondContact O-N 3.29Å; Y106-V117 HydrophobicContact CD1-CG2 4.03Å; Y106-V117 HydrophobicContact CE1-CG2 4.1Å
107	G	96.9	Very high	95.5	Very high	1 Å²	1	67 Å²	67	1%	0.01	34%	0.34	C	S	.	.	H	α-helix	trans	-56.2	-47.5	175.6	0	0	0	0	0	112.2	L103 E104 Y105 T111	L103-G107 PolarHBondContact O-N 2.93Å; E104-G107 WeakPolarHBondContact O-CA 3.45Å; E104-G107 PolarHBondContact O-N 3.33Å; E104-G107 VanDerWaalsContact O-N 3.12Å; Y105-G107 VanDerWaalsContact C-N 3.32Å; Y105-G107 PolarHBondContact O-N 2.95Å; G107-T111 PolarHBondContact O-N 3.41Å; G107-T111 PolarHBondContact O-OG1 3.28Å
108	Q	96.4	Very high	95.6	Very high	120 Å²	120	65.4 Å²	65.4	56%	0.561	33%	0.33	S	S	*	.	H	α-helix	trans	-64.3	-43.7	178.6	-169.3	-178	19.4	0	0	112.8	E104 Y105 Y106 M114	E104-Q108 PolarHBondContact O-N 3.01Å; Y105-Q108 PolarHBondContact O-N 2.9Å; Y106-Q108 VanDerWaalsContact C-N 3.34Å; Y106-Q108 PolarHBondContact O-N 3.27Å; Q108-M114 VanDerWaalsContact CA-SD 3.55Å; Q108-M114 HydrophobicContact CB-CE 3.99Å; Q108-M114 HydrophobicContact CB-SD 3.78Å; Q108-M114 HydrophobicContact CG-SD 4.11Å
109	Q	95.8	Very high	95.6	Very high	121 Å²	121	65.3 Å²	65.3	57%	0.565	33%	0.326	S	S	*	.	H	α-helix	trans	-75.5	-32	-176.7	-64.8	-53.9	-38.5	0	0	112.9	Y105 Y106	Y105-Q109 HydrophobicContact CD1-CG 4.27Å; Y105-Q109 HydrophobicContact CD2-CG 4.24Å; Y105-Q109 HydrophobicContact CE1-CG 3.87Å; Y105-Q109 HydrophobicContact CE2-CG 3.85Å; Y105-Q109 HydrophobicContact CG-CG 4.45Å; Y105-Q109 WeakPolarHBondContact O-CG 3.44Å; Y105-Q109 PolarHBondContact O-N 3.49Å; Y106-Q109 PolarHBondContact O-N 3.04Å
110	R	94.4	Very high	95.6	Very high	135 Å²	135	69.5 Å²	69.5	51%	0.509	35%	0.353	S	S	.	.	H	α-helix	trans	-94.1	-28.1	-174	-177.5	59.2	-179.1	-165.5	3.6	113.9	A77 G78 Y106	A77-R110 PolarHBondContact O-NH2 3Å; G78-R110 PolarHBondContact O-NE 3.29Å; G78-R110 PolarHBondContact O-NH2 3Å; G78-R110 VanDerWaalsContact O-NH2 3.16Å; Y106-R110 HydrophobicContact CD2-CB 4.37Å; Y106-R110 HydrophobicContact CE1-CB 4.17Å; Y106-R110 HydrophobicContact CE1-CG 4.31Å; Y106-R110 HydrophobicContact CE2-CB 3.89Å; Y106-R110 HydrophobicContact CE2-CG 4.17Å; Y106-R110 VanDerWaalsContact O-CB 3.23Å; Y106-R110 WeakPolarHBondContact O-CB 3.44Å; Y106-R110 PolarHBondContact O-N 3.29Å
111	T	92.2	Very high	95.6	Very high	24 Å²	24	66.3 Å²	66.3	15%	0.147	34%	0.338	C	S	.	.			trans	-132.7	150.3	-167.2	68.9	0	0	0	0	112.2	G107 D113 M114 N115	G107-T111 PolarHBondContact O-N 3.41Å; G107-T111 PolarHBondContact O-OG1 3.28Å; T111-D113 WeakPolarHBondContact CB-OD1 3.34Å; T111-D113 PolarHBondContact OG1-OD1 3.26Å; T111-M114 VanDerWaalsContact OG1-C 3.27Å; T111-M114 VanDerWaalsContact OG1-CA 3.31Å; T111-M114 WeakPolarHBondContact OG1-CA 3.42Å; T111-M114 PolarHBondContact OG1-N 3.35Å; T111-N115 PolarHBondContact OG1-N 3.44Å; T111-N115 VanDerWaalsContact OG1-N 3.08Å
112	V	91.9	Very high	95.5	Very high	158 Å²	158	62.5 Å²	62.5	96%	0.958	32%	0.321	S	S	*	.	S	Bend	trans	-79.2	-27.6	176	-178.8	0	0	0	0	111.4
113	D	92.6	Very high	95.5	Very high	89 Å²	89	66.9 Å²	66.9	48%	0.476	34%	0.337	S	S	.	.	S	Bend	trans	-101.9	12.7	-173.1	65.6	-15.5	0	0	0	113.3	T111 N115	T111-D113 WeakPolarHBondContact CB-OD1 3.34Å; T111-D113 PolarHBondContact OG1-OD1 3.26Å; D113-N115 VanDerWaalsContact CG-ND2 3.28Å; D113-N115 PolarHBondContact O-N 3.08Å; D113-N115 WeakPolarHBondContact OD1-CB 3.31Å; D113-N115 PolarHBondContact OD1-N 3.22Å; D113-N115 WeakPolarHBondContact OD2-CB 2.61Å; D113-N115 PolarHBondContact OD2-ND2 2.65Å
114	M	91.8	Very high	95.5	Very high	91 Å²	91	73.9 Å²	73.9	45%	0.448	36%	0.363	S	S	.	.	S	Bend	trans	60.7	3.9	-175	-60.9	-66.9	-68.1	0	0	115.1	E104 Q108 T111 G116	E104-M114 HydrophobicContact CG-CE 3.91Å; Q108-M114 VanDerWaalsContact CA-SD 3.55Å; Q108-M114 HydrophobicContact CB-CE 3.99Å; Q108-M114 HydrophobicContact CB-SD 3.78Å; Q108-M114 HydrophobicContact CG-SD 4.11Å; T111-M114 VanDerWaalsContact OG1-C 3.27Å; T111-M114 VanDerWaalsContact OG1-CA 3.31Å; T111-M114 WeakPolarHBondContact OG1-CA 3.42Å; T111-M114 PolarHBondContact OG1-N 3.35Å; M114-G116 VanDerWaalsContact C-N 3.26Å; M114-G116 PolarHBondContact O-N 3.21Å
115	N	90.4	Very high	95.5	Very high	74 Å²	74	71.3 Å²	71.3	40%	0.396	35%	0.349	S	S	.	.			trans	-84.2	59.7	-176.1	-73.7	-45.6	0	0	0	111.2	K79 T111 D113 T118	K79-N115 WeakPolarHBondContact CE-O 3.49Å; K79-N115 PolarHBondContact NZ-O 3Å; K79-N115 VanDerWaalsContact NZ-O 3.1Å; T111-N115 PolarHBondContact OG1-N 3.44Å; T111-N115 VanDerWaalsContact OG1-N 3.08Å; D113-N115 VanDerWaalsContact CG-ND2 3.28Å; D113-N115 PolarHBondContact O-N 3.08Å; D113-N115 WeakPolarHBondContact OD1-CB 3.31Å; D113-N115 PolarHBondContact OD1-N 3.22Å; D113-N115 WeakPolarHBondContact OD2-CB 2.61Å; D113-N115 PolarHBondContact OD2-ND2 2.65Å; N115-T118 HydrophobicContact CB-CG2 3.64Å
116	G	93.4	Very high	95.5	Very high	2 Å²	2	66.5 Å²	66.5	2%	0.021	33%	0.33	C	S	.	.	S	Bend	trans	-64.1	-89.8	176.3	0	0	0	0	0	112.8	K79 M114	K79-G116 WeakPolarHBondContact CG-O 3.37Å; M114-G116 VanDerWaalsContact C-N 3.26Å; M114-G116 PolarHBondContact O-N 3.21Å
117	V	96.6	Very high	95.6	Very high	2 Å²	2	67.3 Å²	67.3	1%	0.012	34%	0.342	C	S	.	.	S	Bend	trans	-94.4	102.5	173.8	-174.6	0	0	0	0	109	V84 L103 Y106 Q122 R123	V84-V117 HydrophobicContact CG2-CG1 3.78Å; V84-V117 HydrophobicContact CG2-CG2 4.33Å; L103-V117 HydrophobicContact CD2-CB 3.7Å; L103-V117 HydrophobicContact CD2-CG1 4.21Å; L103-V117 HydrophobicContact CD2-CG2 3.91Å; Y106-V117 HydrophobicContact CD1-CG2 4.03Å; Y106-V117 HydrophobicContact CE1-CG2 4.1Å; V117-Q122 HydrophobicContact CG1-CB 3.67Å; V117-R123 HydrophobicContact CB-CG 4.38Å; V117-R123 HydrophobicContact CG1-CG 3.88Å; V117-R123 VanDerWaalsContact O-CD 3.28Å; V117-R123 WeakPolarHBondContact O-CD 3.3Å; V117-R123 VanDerWaalsContact O-CG 3.32Å; V117-R123 WeakPolarHBondContact O-CG 3.33Å; V117-R123 PolarHBondContact O-NH1 2.89Å
118	T	95.5	Very high	95.6	Very high	71 Å²	71	72.7 Å²	72.7	44%	0.436	36%	0.362	S	S	.	.			trans	-96.7	-26.5	-174.9	54.1	0	0	0	0	113.9	N115 P120	N115-T118 HydrophobicContact CB-CG2 3.64Å; T118-P120 WeakPolarHBondContact O-CD 3.34Å
119	I	96.2	Very high	95.7	Very high	38 Å²	38	67.2 Å²	67.2	20%	0.195	34%	0.337	C	S	.	.			trans	-70.8	124.4	-174.3	-62.6	-179.7	0	0	0	109.9	H44 S121 Q122 R123	H44-I119 VanDerWaalsContact CA-CD1 3.49Å; H44-I119 HydrophobicContact CB-CD1 3.78Å; I119-S121 VanDerWaalsContact C-N 3.34Å; I119-S121 VanDerWaalsContact CG2-OG 3.27Å; I119-S121 WeakPolarHBondContact CG2-OG 3.32Å; I119-S121 PolarHBondContact O-N 3.1Å; I119-Q122 HydrophobicContact CB-CB 4.1Å; I119-Q122 HydrophobicContact CB-CG 4.06Å; I119-Q122 HydrophobicContact CG2-CB 4.41Å; I119-Q122 HydrophobicContact CG2-CG 4.16Å; I119-Q122 WeakPolarHBondContact O-CB 3.28Å; I119-Q122 PolarHBondContact O-N 3.12Å; I119-Q122 VanDerWaalsContact O-N 3.12Å; I119-R123 WeakPolarHBondContact O-CG 3.13Å; I119-R123 PolarHBondContact O-N 3.32Å
120	P	97.5	Very high	95.8	Very high	101 Å²	101	62.2 Å²	62.2	66%	0.656	32%	0.315	S	S	*	.	H	α-helix	trans	-58.5	-39.6	-175.1	-28.6	35.9	0	0	0	114.4	T118 R123 R124	T118-P120 WeakPolarHBondContact O-CD 3.34Å; P120-R123 PolarHBondContact O-N 3.41Å; P120-R124 VanDerWaalsContact O-CB 3.32Å; P120-R124 WeakPolarHBondContact O-CB 3.49Å; P120-R124 PolarHBondContact O-N 2.93Å
121	S	97.4	Very high	95.9	Very high	40 Å²	40	60.7 Å²	60.7	28%	0.28	31%	0.314	S	S	.	.	H	α-helix	trans	-65.2	-38.4	177.9	55.4	0	0	0	0	112.4	I119 R124 Y125	I119-S121 VanDerWaalsContact C-N 3.34Å; I119-S121 VanDerWaalsContact CG2-OG 3.27Å; I119-S121 WeakPolarHBondContact CG2-OG 3.32Å; I119-S121 PolarHBondContact O-N 3.1Å; S121-R124 PolarHBondContact O-N 3.32Å; S121-Y125 VanDerWaalsContact O-CD2 3.32Å; S121-Y125 WeakPolarHBondContact O-CD2 3.4Å; S121-Y125 PolarHBondContact O-N 2.96Å; S121-Y125 VanDerWaalsContact O-N 3.16Å
122	Q	97.4	Very high	96.1	Very high	3 Å²	3	60.9 Å²	60.9	1%	0.014	31%	0.314	C	S	.	.	H	α-helix	trans	-64.1	-48.4	174.6	-76.1	-178.4	-11.5	0	0	111.7	Q45 V84 V117 I119 R124 Y125 V126	Q45-Q122 WeakPolarHBondContact O-CG 3.5Å; Q45-Q122 PolarHBondContact O-NE2 2.87Å; V84-Q122 HydrophobicContact CG2-CB 3.54Å; V84-Q122 HydrophobicContact CG2-CG 3.94Å; V117-Q122 HydrophobicContact CG1-CB 3.67Å; I119-Q122 HydrophobicContact CB-CB 4.1Å; I119-Q122 HydrophobicContact CB-CG 4.06Å; I119-Q122 HydrophobicContact CG2-CB 4.41Å; I119-Q122 HydrophobicContact CG2-CG 4.16Å; I119-Q122 WeakPolarHBondContact O-CB 3.28Å; I119-Q122 PolarHBondContact O-N 3.12Å; I119-Q122 VanDerWaalsContact O-N 3.12Å; Q122-R124 VanDerWaalsContact C-N 3.3Å; Q122-R124 PolarHBondContact O-N 2.97Å; Q122-Y125 PolarHBondContact O-N 2.98Å; Q122-V126 PolarHBondContact O-N 2.88Å
123	R	98.2	Very high	96.3	Very high	93 Å²	93	56.3 Å²	56.3	35%	0.351	28%	0.283	S	S	.	.	H	α-helix	trans	-59.7	-41.6	175.9	-62.9	177.5	68.3	82.6	1.7	111.8	L103 V117 I119 P120 Y125 V126 G127	L103-R123 HydrophobicContact CD1-CB 4.15Å; L103-R123 HydrophobicContact CD1-CG 4.31Å; L103-R123 HydrophobicContact CD2-CG 4.38Å; V117-R123 HydrophobicContact CB-CG 4.38Å; V117-R123 HydrophobicContact CG1-CG 3.88Å; V117-R123 VanDerWaalsContact O-CD 3.28Å; V117-R123 WeakPolarHBondContact O-CD 3.3Å; V117-R123 VanDerWaalsContact O-CG 3.32Å; V117-R123 WeakPolarHBondContact O-CG 3.33Å; V117-R123 PolarHBondContact O-NH1 2.89Å; I119-R123 WeakPolarHBondContact O-CG 3.13Å; I119-R123 PolarHBondContact O-N 3.32Å; P120-R123 PolarHBondContact O-N 3.41Å; R123-Y125 VanDerWaalsContact C-N 3.31Å; R123-Y125 PolarHBondContact O-N 3.42Å; R123-V126 PolarHBondContact O-N 3.3Å; R123-G127 PolarHBondContact O-N 3.44Å; R123-G127 VanDerWaalsContact O-N 3.1Å
124	R	98.1	Very high	96.5	Very high	152 Å²	152	61.6 Å²	61.6	57%	0.574	30%	0.297	S	S	*	.	H	α-helix	trans	-58.6	-40.6	176.8	173.2	175	-76.2	158.4	0.4	112.2	P120 S121 Q122 G127 Y128	P120-R124 VanDerWaalsContact O-CB 3.32Å; P120-R124 WeakPolarHBondContact O-CB 3.49Å; P120-R124 PolarHBondContact O-N 2.93Å; S121-R124 PolarHBondContact O-N 3.32Å; Q122-R124 VanDerWaalsContact C-N 3.3Å; Q122-R124 PolarHBondContact O-N 2.97Å; R124-G127 CarbonylContact O-C 3.27Å; R124-G127 WeakPolarHBondContact O-CA 3.32Å; R124-G127 PolarHBondContact O-N 3.25Å; R124-G127 VanDerWaalsContact O-N 3.11Å; R124-Y128 WeakPolarHBondContact CD-OH 3.32Å; R124-Y128 HydrophobicContact CG-CD2 4.19Å; R124-Y128 HydrophobicContact CG-CE1 4Å; R124-Y128 HydrophobicContact CG-CE2 3.62Å; R124-Y128 PolarHBondContact O-N 2.92Å
125	Y	97.9	Very high	96.6	Very high	71 Å²	71	61.2 Å²	61.2	28%	0.278	30%	0.297	S	S	.	.	H	α-helix	trans	-70.7	-33	179.3	-89.4	-123.8	0	0	0	113	P46 P47 L49 S121 Q122 R123 G127 Y128 F129	P46-Y125 HydrophobicContact CB-CD1 3.65Å; P46-Y125 HydrophobicContact CB-CD2 3.53Å; P46-Y125 HydrophobicContact CB-CE1 4Å; P46-Y125 HydrophobicContact CB-CE2 3.91Å; P46-Y125 HydrophobicContact CB-CG 3.38Å; P46-Y125 HydrophobicContact CG-CD1 4.19Å; P46-Y125 HydrophobicContact CG-CD2 3.69Å; P46-Y125 HydrophobicContact CG-CE1 4.04Å; P46-Y125 HydrophobicContact CG-CE2 3.54Å; P46-Y125 HydrophobicContact CG-CG 4.01Å; P47-Y125 WeakPolarHBondContact O-CD1 3.41Å; P47-Y125 WeakPolarHBondContact O-CE1 3.36Å; L49-Y125 HydrophobicContact CB-CD1 4.38Å; L49-Y125 HydrophobicContact CB-CE1 4.28Å; S121-Y125 VanDerWaalsContact O-CD2 3.32Å; S121-Y125 WeakPolarHBondContact O-CD2 3.4Å; S121-Y125 PolarHBondContact O-N 2.96Å; S121-Y125 VanDerWaalsContact O-N 3.16Å; Q122-Y125 PolarHBondContact O-N 2.98Å; R123-Y125 VanDerWaalsContact C-N 3.31Å; R123-Y125 PolarHBondContact O-N 3.42Å; Y125-G127 VanDerWaalsContact C-N 3.25Å; Y125-G127 PolarHBondContact O-N 3.41Å; Y125-Y128 AromaticContact CD2-CD2 3.85Å; Y125-Y128 HydrophobicContact CD2-CD2 3.85Å; Y125-Y128 HydrophobicContact CD2-CE2 4.03Å; Y125-Y128 HydrophobicContact CE2-CD2 4.1Å; Y125-Y128 AromaticContact CE2-CE2 3.97Å; Y125-Y128 HydrophobicContact CE2-CE2 3.97Å; Y125-Y128 HydrophobicContact CG-CD2 4.19Å; Y125-Y128 PolarHBondContact O-N 3.49Å; Y125-F129 WeakPolarHBondContact O-CB 3.27Å; Y125-F129 PolarHBondContact O-N 3.38Å
126	V	98.4	Very high	96.8	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-60.7	-40.1	167.6	-176.8	0	0	0	0	110.3	V84 C87 L91 A99 L103 Q122 R123 F129 S130	V84-V126 HydrophobicContact CB-CG2 4.35Å; V84-V126 HydrophobicContact CG1-CG2 3.94Å; V84-V126 HydrophobicContact CG2-CG2 4.4Å; C87-V126 HydrophobicContact CB-CG1 3.84Å; C87-V126 HydrophobicContact CB-CG2 4.24Å; L91-V126 HydrophobicContact CD1-CG1 3.59Å; A99-V126 HydrophobicContact CB-CB 4.47Å; A99-V126 HydrophobicContact CB-CG1 3.84Å; L103-V126 HydrophobicContact CD1-CB 4.43Å; L103-V126 HydrophobicContact CD1-CG1 4.46Å; L103-V126 HydrophobicContact CD2-CG2 4.17Å; L103-V126 HydrophobicContact CG-CG1 4.26Å; Q122-V126 PolarHBondContact O-N 2.88Å; R123-V126 PolarHBondContact O-N 3.3Å; V126-F129 PolarHBondContact O-N 3.22Å; V126-S130 WeakPolarHBondContact O-CB 3.35Å; V126-S130 PolarHBondContact O-N 3.21Å
127	G	98.2	Very high	96.8	Very high	28 Å²	28	68.9 Å²	68.9	29%	0.289	34%	0.336	S	S	.	.	H	α-helix	trans	-60.6	-46.5	172.4	0	0	0	0	0	113.5	R123 R124 Y125 F129 S130 H131	R123-G127 PolarHBondContact O-N 3.44Å; R123-G127 VanDerWaalsContact O-N 3.1Å; R124-G127 CarbonylContact O-C 3.27Å; R124-G127 WeakPolarHBondContact O-CA 3.32Å; R124-G127 PolarHBondContact O-N 3.25Å; R124-G127 VanDerWaalsContact O-N 3.11Å; Y125-G127 VanDerWaalsContact C-N 3.25Å; Y125-G127 PolarHBondContact O-N 3.41Å; G127-F129 VanDerWaalsContact C-N 3.35Å; G127-F129 PolarHBondContact O-N 3.43Å; G127-S130 PolarHBondContact O-N 3.27Å; G127-H131 WeakPolarHBondContact O-CB 3.48Å; G127-H131 PolarHBondContact O-N 3.12Å
128	Y	97.7	Very high	96.6	Very high	113 Å²	113	77 Å²	77	44%	0.443	37%	0.374	S	S	.	.	H	α-helix	trans	-59.3	-46.3	174.7	-65.7	-27.2	0	0	0	111.5	R124 Y125 H131 L132	R124-Y128 WeakPolarHBondContact CD-OH 3.32Å; R124-Y128 HydrophobicContact CG-CD2 4.19Å; R124-Y128 HydrophobicContact CG-CE1 4Å; R124-Y128 HydrophobicContact CG-CE2 3.62Å; R124-Y128 PolarHBondContact O-N 2.92Å; Y125-Y128 AromaticContact CD2-CD2 3.85Å; Y125-Y128 HydrophobicContact CD2-CD2 3.85Å; Y125-Y128 HydrophobicContact CD2-CE2 4.03Å; Y125-Y128 HydrophobicContact CE2-CD2 4.1Å; Y125-Y128 AromaticContact CE2-CE2 3.97Å; Y125-Y128 HydrophobicContact CE2-CE2 3.97Å; Y125-Y128 HydrophobicContact CG-CD2 4.19Å; Y125-Y128 PolarHBondContact O-N 3.49Å; Y128-H131 WeakPolarHBondContact O-CB 3.49Å; Y128-H131 PolarHBondContact O-N 3.28Å; Y128-L132 WeakPolarHBondContact O-CG 3.43Å; Y128-L132 PolarHBondContact O-N 3.1Å
129	F	98	Very high	96.4	Very high	5 Å²	5	78 Å²	78	2%	0.022	37%	0.37	C	S	.	.	H	α-helix	trans	-63	-44.9	178.8	-168.8	-112.3	0	0	0	112.6	L49 M52 L53 A88 Y125 V126 G127 H131 L132 L133	L49-F129 HydrophobicContact CD1-CB 4.23Å; L49-F129 HydrophobicContact CD1-CD2 4.35Å; M52-F129 HydrophobicContact CB-CD2 3.68Å; M52-F129 HydrophobicContact CB-CE2 3.71Å; M52-F129 HydrophobicContact CB-CG 4.27Å; M52-F129 HydrophobicContact CB-CZ 4.29Å; M52-F129 HydrophobicContact CE-CB 3.56Å; M52-F129 HydrophobicContact CE-CD1 4.06Å; M52-F129 HydrophobicContact CE-CD2 4.25Å; M52-F129 HydrophobicContact CE-CG 3.7Å; M52-F129 HydrophobicContact SD-CB 4.06Å; M52-F129 HydrophobicContact SD-CD2 4.36Å; M52-F129 HydrophobicContact SD-CG 4.3Å; L53-F129 HydrophobicContact CB-CE2 4.12Å; A88-F129 HydrophobicContact CB-CD1 3.77Å; A88-F129 HydrophobicContact CB-CE1 3.82Å; A88-F129 WeakPolarHBondContact O-CE1 3.39Å; Y125-F129 WeakPolarHBondContact O-CB 3.27Å; Y125-F129 PolarHBondContact O-N 3.38Å; V126-F129 PolarHBondContact O-N 3.22Å; G127-F129 VanDerWaalsContact C-N 3.35Å; G127-F129 PolarHBondContact O-N 3.43Å; F129-H131 VanDerWaalsContact C-N 3.27Å; F129-H131 PolarHBondContact O-N 3.06Å; F129-L132 PolarHBondContact O-N 3.11Å; F129-L132 VanDerWaalsContact O-N 3.17Å; F129-L133 HydrophobicContact CD1-CD1 3.82Å; F129-L133 HydrophobicContact CD1-CG 4.38Å; F129-L133 HydrophobicContact CE1-CD1 3.5Å; F129-L133 VanDerWaalsContact CE1-CD1 3.5Å; F129-L133 HydrophobicContact CE1-CD2 4.47Å; F129-L133 HydrophobicContact CE1-CG 4.11Å; F129-L133 HydrophobicContact CZ-CD1 4.05Å; F129-L133 HydrophobicContact CZ-CD2 4.19Å; F129-L133 HydrophobicContact CZ-CG 4.23Å; F129-L133 WeakPolarHBondContact O-CG 3.48Å; F129-L133 PolarHBondContact O-N 3.42Å
130	S	97.9	Very high	96.3	Very high	17 Å²	17	79.6 Å²	79.6	12%	0.119	39%	0.385	C	S	.	.	H	α-helix	trans	-55.9	-41.9	172.6	177.3	0	0	0	0	111.9	V126 G127 R134	V126-S130 WeakPolarHBondContact O-CB 3.35Å; V126-S130 PolarHBondContact O-N 3.21Å; G127-S130 PolarHBondContact O-N 3.27Å; S130-R134 WeakPolarHBondContact O-CB 3.42Å; S130-R134 PolarHBondContact O-N 3.16Å
131	H	97	Very high	96	Very high	103 Å²	103	79.2 Å²	79.2	48%	0.477	38%	0.38	S	S	.	.	H	α-helix	trans	-66.1	-41.8	176.9	-176.9	80.8	0	0	0	112.6	G127 Y128 F129 N135 I137	G127-H131 WeakPolarHBondContact O-CB 3.48Å; G127-H131 PolarHBondContact O-N 3.12Å; Y128-H131 WeakPolarHBondContact O-CB 3.49Å; Y128-H131 PolarHBondContact O-N 3.28Å; F129-H131 VanDerWaalsContact C-N 3.27Å; F129-H131 PolarHBondContact O-N 3.06Å; H131-N135 PolarHBondContact CE1-ND2 3.22Å; H131-N135 VanDerWaalsContact CE1-ND2 3.27Å; H131-N135 PolarHBondContact ND1-ND2 2.98Å; H131-N135 WeakPolarHBondContact O-CB 3.47Å; H131-N135 PolarHBondContact O-N 2.86Å; H131-N135 PolarHBondContact O-ND2 3.17Å; H131-I137 WeakPolarHBondContact NE2-CD1 3.32Å
132	L	96.3	Very high	95.7	Very high	28 Å²	28	81.5 Å²	81.5	15%	0.147	39%	0.392	C	S	.	.	H	α-helix	trans	-60.6	-48.6	176.5	-67.7	177.6	0	0	0	111.4	L49 Y128 F129 N136 I137	L49-L132 HydrophobicContact CD1-CD1 4.18Å; L49-L132 HydrophobicContact CD2-CD1 3.82Å; L49-L132 HydrophobicContact CG-CD1 3.95Å; Y128-L132 WeakPolarHBondContact O-CG 3.43Å; Y128-L132 PolarHBondContact O-N 3.1Å; F129-L132 PolarHBondContact O-N 3.11Å; F129-L132 VanDerWaalsContact O-N 3.17Å; L132-N136 WeakPolarHBondContact O-CA 3.31Å; L132-N136 PolarHBondContact O-N 3.44Å; L132-I137 HydrophobicContact CD2-CB 3.76Å; L132-I137 HydrophobicContact CD2-CG2 3.66Å; L132-I137 PolarHBondContact O-N 3.26Å
133	L	96.3	Very high	95.5	Very high	61 Å²	61	87.6 Å²	87.6	32%	0.319	43%	0.432	S	S	.	.	H	α-helix	trans	-61.4	-50.7	179.7	-68.7	175.4	0	0	0	111.9	L91 Y92 F129 N135 N136	L91-L133 HydrophobicContact CB-CD1 3.99Å; Y92-L133 HydrophobicContact CD2-CD2 4.16Å; F129-L133 HydrophobicContact CD1-CD1 3.82Å; F129-L133 HydrophobicContact CD1-CG 4.38Å; F129-L133 HydrophobicContact CE1-CD1 3.5Å; F129-L133 VanDerWaalsContact CE1-CD1 3.5Å; F129-L133 HydrophobicContact CE1-CD2 4.47Å; F129-L133 HydrophobicContact CE1-CG 4.11Å; F129-L133 HydrophobicContact CZ-CD1 4.05Å; F129-L133 HydrophobicContact CZ-CD2 4.19Å; F129-L133 HydrophobicContact CZ-CG 4.23Å; F129-L133 WeakPolarHBondContact O-CG 3.48Å; F129-L133 PolarHBondContact O-N 3.42Å; L133-N135 VanDerWaalsContact C-N 3.28Å; L133-N135 PolarHBondContact O-N 3.39Å; L133-N136 PolarHBondContact O-N 3.39Å
134	R	95.3	Very high	95.3	Very high	200 Å²	200	91 Å²	91	76%	0.755	45%	0.454	S	S	*	.	H	α-helix	trans	-62.2	-34.6	-176.3	177.9	174.6	170.3	164.1	-0.4	113.2	S130	S130-R134 WeakPolarHBondContact O-CB 3.42Å; S130-R134 PolarHBondContact O-N 3.16Å
135	N	95.6	Very high	95.2	Very high	84 Å²	84	89.2 Å²	89.2	45%	0.449	46%	0.46	S	S	.	.	H	α-helix	trans	-102.3	4.5	-175.6	-61.5	-80	0	0	0	112.8	H131 L133 I137	H131-N135 PolarHBondContact CE1-ND2 3.22Å; H131-N135 VanDerWaalsContact CE1-ND2 3.27Å; H131-N135 PolarHBondContact ND1-ND2 2.98Å; H131-N135 WeakPolarHBondContact O-CB 3.47Å; H131-N135 PolarHBondContact O-N 2.86Å; H131-N135 PolarHBondContact O-ND2 3.17Å; L133-N135 VanDerWaalsContact C-N 3.28Å; L133-N135 PolarHBondContact O-N 3.39Å; N135-I137 HydrophobicContact CB-CD1 3.59Å; N135-I137 HydrophobicContact CB-CG1 3.67Å; N135-I137 PolarHBondContact O-N 2.83Å
136	N	93.4	Very high	95.1	Very high	158 Å²	158	92.4 Å²	92.4	85%	0.845	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	44.3	-175.8	-164	33.3	0	0	0	112.6	L132 L133	L132-N136 WeakPolarHBondContact O-CA 3.31Å; L132-N136 PolarHBondContact O-N 3.44Å; L133-N136 PolarHBondContact O-N 3.39Å
137	I	93.7	Very high	95	Very high	78 Å²	78	103.2 Å²	103.2	40%	0.4	52%	0.522	S	S	.	.			trans	-90.2	124.7	-177.4	-63.4	168.5	0	0	0	109.3	H131 L132 N135 Y139	H131-I137 WeakPolarHBondContact NE2-CD1 3.32Å; L132-I137 HydrophobicContact CD2-CB 3.76Å; L132-I137 HydrophobicContact CD2-CG2 3.66Å; L132-I137 PolarHBondContact O-N 3.26Å; N135-I137 HydrophobicContact CB-CD1 3.59Å; N135-I137 HydrophobicContact CB-CG1 3.67Å; N135-I137 PolarHBondContact O-N 2.83Å; I137-Y139 PolarHBondContact O-N 3.27Å
138	H	91.9	Very high	94.9	Very high	173 Å²	173	105.3 Å²	105.3	80%	0.801	53%	0.532	S	S	*	.			trans	-77.9	115	169.3	-173	-84.4	0	0	0	110.1
139	Y	92.9	Very high	94.8	Very high	91 Å²	91	106.2 Å²	106.2	36%	0.357	54%	0.543	S	S	.	.			trans	-69.7	137.9	175.6	177.3	-101.8	0	0	0	110.8	L49 E50 I137 V141	L49-Y139 HydrophobicContact CB-CE1 4.42Å; L49-Y139 HydrophobicContact CD2-CD2 3.73Å; L49-Y139 HydrophobicContact CD2-CE2 3.82Å; L49-Y139 HydrophobicContact CD2-CG 4.19Å; L49-Y139 HydrophobicContact CG-CD2 4.5Å; E50-Y139 HydrophobicContact CG-CD1 3.66Å; E50-Y139 HydrophobicContact CG-CE1 3.51Å; I137-Y139 PolarHBondContact O-N 3.27Å; Y139-V141 HydrophobicContact CE1-CG2 3.77Å
140	S	92.3	Very high	94.6	Very high	73 Å²	73	113.6 Å²	113.6	51%	0.51	58%	0.578	S	S	.	*			trans	-138.8	140.5	170.9	56.1	0	0	0	0	109.8	V142	S140-V142 PolarHBondContact O-N 3.19Å
141	V	91.4	Very high	94.2	Very high	92 Å²	92	119.3 Å²	119.3	56%	0.558	61%	0.606	S	S	*	*			trans	-76.6	116.3	175.5	-179	0	0	0	0	108.3	E50 Y139	E50-V141 HydrophobicContact CG-CG2 4.49Å; E50-V141 WeakPolarHBondContact OE1-CG2 3.38Å; Y139-V141 HydrophobicContact CE1-CG2 3.77Å
142	V	92.1	Very high	93.9	Very high	88 Å²	88	122.5 Å²	122.5	53%	0.533	62%	0.622	S	S	.	*			trans	-113.7	135.3	173.7	-66.2	0	0	0	0	109.7	S140 M144	S140-V142 PolarHBondContact O-N 3.19Å; V142-M144 HydrophobicContact CG2-CG 4.32Å; V142-M144 HydrophobicContact CG2-SD 4.22Å; V142-M144 PolarHBondContact O-N 2.8Å
143	P	93.7	Very high	93.6	Very high	131 Å²	131	128.7 Å²	128.7	85%	0.851	66%	0.655	S	S	*	*			trans	-65.9	123.4	175.1	27.1	-32.7	0	0	0	109.5
144	M	92.9	Very high	92.9	Very high	165 Å²	165	128.6 Å²	128.6	81%	0.813	66%	0.663	S	S	*	*			trans	-112.4	133.4	177	-66.1	-68.2	-71.9	0	0	109.2	V142	V142-M144 HydrophobicContact CG2-CG 4.32Å; V142-M144 HydrophobicContact CG2-SD 4.22Å; V142-M144 PolarHBondContact O-N 2.8Å
145	V	95.5	Very high	92.3	Very high	115 Å²	115	124 Å²	124	70%	0.697	66%	0.659	S	S	*	*			trans	-104.1	118.6	174	-179.3	0	0	0	0	108.5	R147	V145-R147 PolarHBondContact O-N 3.17Å
146	L	96.1	Very high	91.6	Very high	137 Å²	137	126.9 Å²	126.9	72%	0.717	68%	0.679	S	S	*	*			trans	-70.5	107.2	169.1	-178.2	63.1	0	0	0	108.5	I149	L146-I149 HydrophobicContact CD1-CG1 4.33Å; L146-I149 HydrophobicContact CD2-CD1 3.94Å; L146-I149 HydrophobicContact CD2-CG1 3.98Å; L146-I149 HydrophobicContact CG-CG1 4.36Å
147	R	96.9	Very high	90.8	Very high	227 Å²	227	125.1 Å²	125.1	86%	0.857	67%	0.669	S	S	*	*			trans	-84.4	-43	-173.2	-69.6	-175.8	177.1	-87.2	0	113.6	V145	V145-R147 PolarHBondContact O-N 3.17Å
148	S	96.2	Very high	90.1	Very high	73 Å²	73	126.4 Å²	126.4	51%	0.51	68%	0.677	S	S	.	*			trans	-149.7	154.2	179.2	56	0	0	0	0	109.8
149	I	95.4	Very high	89	Confident	131 Å²	131	127 Å²	127	67%	0.672	68%	0.677	S	S	*	*			trans	-121.4	115.3	162.8	-58.4	175.7	0	0	0	104.9	L146 L151	L146-I149 HydrophobicContact CD1-CG1 4.33Å; L146-I149 HydrophobicContact CD2-CD1 3.94Å; L146-I149 HydrophobicContact CD2-CG1 3.98Å; L146-I149 HydrophobicContact CG-CG1 4.36Å; I149-L151 HydrophobicContact CG2-CD2 4.44Å
150	E	93.4	Very high	88	Confident	160 Å²	160	125.9 Å²	125.9	75%	0.748	69%	0.687	S	S	*	*			trans	-104.5	125.2	177.9	-70.4	171.1	-150.9	0	0	108.4
151	L	91.1	Very high	86.7	Confident	137 Å²	137	127.6 Å²	127.6	72%	0.717	69%	0.694	S	S	*	*			trans	-104.3	105.6	176.8	-64.6	176.2	0	0	0	108.4	I149 A154	I149-L151 HydrophobicContact CG2-CD2 4.44Å; L151-A154 HydrophobicContact CB-CB 4.15Å
152	E	90	Very high	85.4	Confident	171 Å²	171	130.2 Å²	130.2	80%	0.799	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	137	171.2	-65.1	-173.5	175.3	0	0	110.2	A154	E152-A154 VanDerWaalsContact C-N 3.29Å; E152-A154 PolarHBondContact O-N 3.32Å
153	N	89	Confident	84	Confident	158 Å²	158	130.7 Å²	130.7	85%	0.845	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	56.6	37	179.2	-51.1	-61.5	0	0	0	114.2
154	A	82.2	Confident	82	Confident	58 Å²	58	137.1 Å²	137.1	48%	0.479	72%	0.72	S	S	.	*			trans	-53.4	134.5	178	0	0	0	0	0	111	L151 E152 V156	L151-A154 HydrophobicContact CB-CB 4.15Å; E152-A154 VanDerWaalsContact C-N 3.29Å; E152-A154 PolarHBondContact O-N 3.32Å; A154-V156 PolarHBondContact O-N 3.41Å
155	P	83.3	Confident	81.5	Confident	105 Å²	105	135.8 Å²	135.8	68%	0.682	72%	0.715	S	S	*	*			trans	-61.1	139.3	178.7	25	-32.6	0	0	0	109.8	L157	P155-L157 PolarHBondContact O-N 3.39Å
156	V	79.9	Confident	80.7	Confident	144 Å²	144	136.8 Å²	136.8	87%	0.873	72%	0.716	S	S	*	*			trans	-65.1	108.9	170.2	-177.9	0	0	0	0	107.2	A154 D158	A154-V156 PolarHBondContact O-N 3.41Å; V156-D158 PolarHBondContact O-N 3.2Å
157	L	77.5	Confident	79.9	Confident	121 Å²	121	136.8 Å²	136.8	63%	0.634	72%	0.716	S	S	*	*			trans	-71.8	112.4	173.4	-63.6	175	0	0	0	108	P155 K159 F162	P155-L157 PolarHBondContact O-N 3.39Å; L157-K159 PolarHBondContact O-N 3.23Å; L157-K159 VanDerWaalsContact O-N 3.15Å; L157-F162 HydrophobicContact CB-CE2 4.37Å; L157-F162 HydrophobicContact CD2-CE2 4.14Å; L157-F162 HydrophobicContact CD2-CZ 4.44Å
158	D	77.8	Confident	78.9	Confident	105 Å²	105	131.5 Å²	131.5	56%	0.561	71%	0.707	S	S	*	*			trans	-64.4	114.6	168.8	-173.2	-5.1	0	0	0	108.6	V156 A160 V161	V156-D158 PolarHBondContact O-N 3.2Å; D158-A160 PolarHBondContact O-N 3.05Å; D158-A160 VanDerWaalsContact O-N 3.09Å; D158-A160 WeakPolarHBondContact OD1-CB 3.41Å; D158-A160 PolarHBondContact OD1-N 3.09Å; D158-V161 HydrophobicContact CB-CG2 4.39Å; D158-V161 PolarHBondContact O-N 3.01Å
159	K	69.6	Low	77.8	Confident	186 Å²	186	135.2 Å²	135.2	81%	0.809	72%	0.72	S	S	*	*	G	3₁₀ helix	trans	-59.7	-20.6	-179.4	-69.3	-176	178	179.8	0	112.2	L157 V161	L157-K159 PolarHBondContact O-N 3.23Å; L157-K159 VanDerWaalsContact O-N 3.15Å; K159-V161 VanDerWaalsContact C-N 3.29Å; K159-V161 PolarHBondContact O-N 3.45Å
160	A	70.8	Confident	76.6	Confident	67 Å²	67	135.5 Å²	135.5	55%	0.554	72%	0.723	S	S	*	*	G	3₁₀ helix	trans	-68.9	-22.8	179.6	0	0	0	0	0	114	D158 S163	D158-A160 PolarHBondContact O-N 3.05Å; D158-A160 VanDerWaalsContact O-N 3.09Å; D158-A160 WeakPolarHBondContact OD1-CB 3.41Å; D158-A160 PolarHBondContact OD1-N 3.09Å; A160-S163 PolarHBondContact O-OG 3.15Å
161	V	65.8	Low	75.4	Confident	109 Å²	109	133.7 Å²	133.7	66%	0.661	72%	0.721	S	S	*	*	G	3₁₀ helix	trans	-79.8	-24	-176.5	-179.1	0	0	0	0	112.4	D158 K159	D158-V161 HydrophobicContact CB-CG2 4.39Å; D158-V161 PolarHBondContact O-N 3.01Å; K159-V161 VanDerWaalsContact C-N 3.29Å; K159-V161 PolarHBondContact O-N 3.45Å
162	F	65	Low	74.2	Confident	147 Å²	147	133.5 Å²	133.5	65%	0.645	72%	0.722	S	S	*	*	G	3₁₀ helix	trans	-105	9.5	-174.4	-59.9	-78.5	0	0	0	114.3	L157	L157-F162 HydrophobicContact CB-CE2 4.37Å; L157-F162 HydrophobicContact CD2-CE2 4.14Å; L157-F162 HydrophobicContact CD2-CZ 4.44Å
163	S	60.8	Low	72.9	Confident	97 Å²	97	130.3 Å²	130.3	68%	0.678	72%	0.715	S	S	*	*			trans	-95.8	25.1	-179.2	63.9	0	0	0	0	115.1	A160	A160-S163 PolarHBondContact O-OG 3.15Å
164	K	52.9	Low	71.4	Confident	267 Å²	267	127.8 Å²	127.8	100%	1.161	70%	0.703	S	S	*	*			trans	-110	0	167	-75.7	-172.6	178.2	-179.9	0	110.5

Retrieved 164 of 164 residues in 194.4 ms (Link to these results)

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