A0A077ZFW5_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZFW5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 144 aa.

						>A0A077ZFW5_TRITR|A0A077ZFW5
MDAKWIVTVCFTLLGWLSHCQEKSTVPPVDCVNTWPRSLCNSTLKTYGKGICTSDHFFGRYECCVTCAEVLHITVDKGKFEGKNNFTYYHPKCPNPTDATMATGGESWESWCKQWITEEEGPTICQMPLIQYRCYKTCNVACKP
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.9	Very low	37.8	Very low	221 Å²	221	151.5 Å²	151.5	100%	1.089	79%	0.791	S	S	*	*				0	120.8	0	-67.2	172.9	72.5	0	0	106.2
2	D	36.1	Very low	38	Very low	142 Å²	142	149.8 Å²	149.8	76%	0.759	79%	0.792	S	S	*	*			cis	-158	160.8	7.9	-84.6	-41.5	0	0	0	109.5
3	A	37.8	Very low	38.5	Very low	84 Å²	84	149.2 Å²	149.2	69%	0.694	79%	0.788	S	S	*	*			trans	-57.5	148	174.9	0	0	0	0	0	113.7
4	K	37.7	Very low	39	Very low	208 Å²	208	151.2 Å²	151.2	90%	0.904	80%	0.798	S	S	*	*			trans	-150.7	97.5	148.2	-101.6	174.3	-170.9	-178.3	0	110
5	W	30.7	Very low	39.3	Very low	231 Å²	231	144.9 Å²	144.9	88%	0.875	78%	0.783	S	S	*	*			trans	-72.5	122.5	154.2	-77.2	77.9	0	0	0	108.2
6	I	39.9	Very low	39.9	Very low	158 Å²	158	151.3 Å²	151.3	81%	0.81	79%	0.793	S	S	*	*			trans	-143	114.3	145.5	-64.9	-170.5	0	0	0	108.5
7	V	34.6	Very low	40.3	Very low	118 Å²	118	150.3 Å²	150.3	72%	0.715	79%	0.788	S	S	*	*			trans	-52.8	129.5	162.2	174.2	0	0	0	0	109.9
8	T	41.4	Very low	40.8	Very low	114 Å²	114	148.4 Å²	148.4	70%	0.699	79%	0.789	S	S	*	*			trans	-178.5	94.4	136.8	-64.2	0	0	0	0	106.7	C10	T8-C10 HydrophobicContact CG2-CB 4.49Å
9	V	38.6	Very low	41.1	Very low	107 Å²	107	147.8 Å²	147.8	65%	0.648	78%	0.781	S	S	*	*			trans	-113.6	73	161	-164.4	0	0	0	0	107.3	F11	V9-F11 VanDerWaalsContact C-N 3.25Å; V9-F11 HydrophobicContact CB-CD2 4.29Å; V9-F11 HydrophobicContact CB-CE2 4.14Å; V9-F11 HydrophobicContact CG1-CD1 4.08Å; V9-F11 HydrophobicContact CG1-CD2 3.39Å; V9-F11 HydrophobicContact CG1-CE1 4Å; V9-F11 HydrophobicContact CG1-CE2 3.29Å; V9-F11 HydrophobicContact CG1-CG 3.8Å; V9-F11 HydrophobicContact CG1-CZ 3.61Å; V9-F11 PolarHBondContact O-N 2.88Å; V9-F11 VanDerWaalsContact O-N 3.15Å
10	C	42.5	Very low	41.7	Very low	108 Å²	108	146.3 Å²	146.3	73%	0.73	78%	0.781	S	S	*	*			trans	-69.7	95.4	151	-88.1	0	0	0	0	105.5	T8 T12	T8-C10 HydrophobicContact CG2-CB 4.49Å; C10-T12 PolarHBondContact O-N 2.89Å
11	F	42.6	Very low	42.2	Very low	176 Å²	176	148.2 Å²	148.2	77%	0.772	79%	0.786	S	S	*	*			trans	-56.4	109.7	178.3	-87.4	-85.1	0	0	0	109.7	V9 L13	V9-F11 VanDerWaalsContact C-N 3.25Å; V9-F11 HydrophobicContact CB-CD2 4.29Å; V9-F11 HydrophobicContact CB-CE2 4.14Å; V9-F11 HydrophobicContact CG1-CD1 4.08Å; V9-F11 HydrophobicContact CG1-CD2 3.39Å; V9-F11 HydrophobicContact CG1-CE1 4Å; V9-F11 HydrophobicContact CG1-CE2 3.29Å; V9-F11 HydrophobicContact CG1-CG 3.8Å; V9-F11 HydrophobicContact CG1-CZ 3.61Å; V9-F11 PolarHBondContact O-N 2.88Å; V9-F11 VanDerWaalsContact O-N 3.15Å; F11-L13 PolarHBondContact O-N 3.28Å
12	T	40	Very low	43.4	Very low	131 Å²	131	146.1 Å²	146.1	80%	0.804	77%	0.773	S	S	*	*			trans	-73.7	93	171.1	47.6	0	0	0	0	109.2	C10	C10-T12 PolarHBondContact O-N 2.89Å
13	L	45.3	Very low	44.7	Very low	142 Å²	142	146.2 Å²	146.2	74%	0.743	77%	0.767	S	S	*	*			trans	-136.9	90.8	162	-77.9	172.8	0	0	0	109.3	F11	F11-L13 PolarHBondContact O-N 3.28Å
14	L	45.1	Very low	46.8	Very low	177 Å²	177	147.1 Å²	147.1	93%	0.927	77%	0.768	S	S	*	*	S	Bend	trans	25.8	102.9	146.8	-65.8	163.2	0	0	0	117
15	G	43.2	Very low	49.3	Very low	56 Å²	56	140.9 Å²	140.9	58%	0.577	75%	0.748	S	S	*	*	S	Bend	trans	97.4	141.1	163	0	0	0	0	0	112.7
16	W	48.5	Very low	52.3	Low	248 Å²	248	130.9 Å²	130.9	94%	0.939	71%	0.712	S	S	*	*	S	Bend	trans	76.5	91	178.2	-46.5	85.3	0	0	0	112.5	S18	W16-S18 PolarHBondContact O-N 3.16Å
17	L	47.1	Very low	54.9	Low	134 Å²	134	127.6 Å²	127.6	70%	0.702	70%	0.701	S	S	*	*			trans	-3.8	110.4	152.2	-72.9	122.1	0	0	0	112	H19	L17-H19 WeakPolarHBondContact CB-CE1 3.07Å; L17-H19 WeakPolarHBondContact CB-ND1 3.46Å; L17-H19 PolarHBondContact O-N 3.16Å; L17-H19 PolarHBondContact O-ND1 3.02Å
18	S	49.4	Very low	57.9	Low	116 Å²	116	122.7 Å²	122.7	81%	0.811	67%	0.671	S	S	*	*			trans	-56.2	78.7	147.5	-57.5	0	0	0	0	106.7	W16 C20	W16-S18 PolarHBondContact O-N 3.16Å; S18-C20 PolarHBondContact O-N 3.34Å
19	H	47.4	Very low	60.5	Low	138 Å²	138	118 Å²	118	64%	0.639	64%	0.643	S	S	*	*			trans	-65.4	85.3	154.5	-70	94	0	0	0	103	L17 Q21	L17-H19 WeakPolarHBondContact CB-CE1 3.07Å; L17-H19 WeakPolarHBondContact CB-ND1 3.46Å; L17-H19 PolarHBondContact O-N 3.16Å; L17-H19 PolarHBondContact O-ND1 3.02Å; H19-Q21 PolarHBondContact O-N 3.17Å
20	C	52.8	Low	63.4	Low	117 Å²	117	117.1 Å²	117.1	79%	0.791	63%	0.634	S	S	*	*			trans	-50.3	97.8	141.3	-72.7	0	0	0	0	103.3	S18 E22	S18-C20 PolarHBondContact O-N 3.34Å; C20-E22 PolarHBondContact O-N 2.98Å
21	Q	52.6	Low	66	Low	186 Å²	186	112.1 Å²	112.1	87%	0.869	60%	0.601	S	S	*	*			trans	-63.1	95	173.6	-130.3	176.7	-25.9	0	0	103.3	H19 K23	H19-Q21 PolarHBondContact O-N 3.17Å; Q21-K23 PolarHBondContact O-N 3.48Å
22	E	58	Low	68.7	Low	178 Å²	178	107 Å²	107	83%	0.832	58%	0.584	S	S	*	*			trans	-57.3	114.8	170.7	-168.8	173.3	-169.3	0	0	104.6	C20 S24	C20-E22 PolarHBondContact O-N 2.98Å; E22-S24 PolarHBondContact O-N 3.41Å
23	K	63.6	Low	71.4	Confident	143 Å²	143	102.9 Å²	102.9	62%	0.622	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-55.2	117.4	179.8	-174.1	-179.5	-178.7	-175.7	0	106	Q21 T25 N139	Q21-K23 PolarHBondContact O-N 3.48Å; K23-T25 PolarHBondContact O-N 2.94Å; K23-N139 HydrophobicContact CD-CB 4.29Å; K23-N139 PolarHBondContact O-ND2 2.83Å
24	S	81.4	Confident	73.9	Confident	103 Å²	103	99.4 Å²	99.4	72%	0.72	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-51.1	133.5	-179.9	-176.5	0	0	0	0	109.4	E22 N139	E22-S24 PolarHBondContact O-N 3.41Å; S24-N139 PolarHBondContact O-ND2 3.43Å
25	T	90.1	Very high	76.4	Confident	77 Å²	77	95.1 Å²	95.1	47%	0.472	51%	0.513	S	S	.	.	P	Polyproline II helix	trans	-83	139.3	179.9	51	0	0	0	0	110	K23 N139	K23-T25 PolarHBondContact O-N 2.94Å; T25-N139 WeakPolarHBondContact CA-O 3.35Å
26	V	93.4	Very high	79.1	Confident	22 Å²	22	96.4 Å²	96.4	13%	0.133	51%	0.511	C	S	.	.	B	Isolated β-bridge	trans	-85.4	130.8	174.9	175.3	0	0	0	0	108.2	C125 C138 N139 V140 A141	V26-C125 HydrophobicContact CG1-CB 4.13Å; V26-C125 HydrophobicContact CG2-CB 4.17Å; V26-C138 WeakPolarHBondContact CB-O 3.49Å; V26-C138 WeakPolarHBondContact CG2-O 3.03Å; V26-N139 PolarHBondContact N-O 2.66Å; V26-V140 CarbonylContact O-C 3.5Å; V26-V140 VanDerWaalsContact O-CA 3.27Å; V26-V140 WeakPolarHBondContact O-CA 3.36Å; V26-A141 PolarHBondContact O-N 2.98Å
27	P	95	Very high	81.4	Confident	88 Å²	88	91.1 Å²	91.1	57%	0.571	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-64.4	144	176	26.8	-34	0	0	0	110.7	V29 Q131	P27-V29 PolarHBondContact O-N 2.91Å; P27-Q131 PolarHBondContact O-NE2 3.2Å
28	P	97	Very high	83.9	Confident	15 Å²	15	89 Å²	89	10%	0.097	49%	0.488	C	S	.	.	P	Polyproline II helix	trans	-60.7	137	170.9	27	-35.2	0	0	0	109.8	Y88 Y89 V140	P28-Y88 HydrophobicContact CB-CE1 3.87Å; P28-Y88 HydrophobicContact CG-CD1 4.49Å; P28-Y88 HydrophobicContact CG-CE1 3.48Å; P28-Y88 VanDerWaalsContact CG-CE1 3.48Å; P28-Y88 PolarHBondContact O-OH 3.39Å; P28-Y89 HydrophobicContact CG-CD1 4.3Å; P28-Y89 HydrophobicContact CG-CE1 3.86Å; P28-V140 HydrophobicContact CB-CG1 3.99Å
29	V	97.4	Very high	86.2	Confident	17 Å²	17	87 Å²	87	10%	0.103	47%	0.468	C	S	.	.	P	Polyproline II helix	trans	-55.8	144.2	176.9	-67.7	0	0	0	0	110.9	P27 R60 Y61 Y88 Q126 P128 Q131	P27-V29 PolarHBondContact O-N 2.91Å; V29-R60 PolarHBondContact O-NH1 3.14Å; V29-R60 PolarHBondContact O-NH2 3.37Å; V29-Y61 HydrophobicContact CG2-CD1 3.74Å; V29-Y61 HydrophobicContact CG2-CE1 3.76Å; V29-Y88 PolarHBondContact O-OH 3.13Å; V29-Q126 WeakPolarHBondContact CG1-O 3.37Å; V29-P128 HydrophobicContact CB-CG 4.49Å; V29-P128 HydrophobicContact CG1-CG 4.28Å; V29-P128 HydrophobicContact CG2-CB 4.43Å; V29-P128 HydrophobicContact CG2-CG 4.38Å; V29-Q131 HydrophobicContact CG1-CG 4.07Å
30	D	98.1	Very high	88.6	Confident	87 Å²	87	80.5 Å²	80.5	47%	0.465	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-61.3	154.2	176.4	-70.1	-24.1	0	0	0	111.7	V32 R60	D30-V32 HydrophobicContact CB-CG1 4.23Å; D30-V32 PolarHBondContact O-N 3.38Å; D30-V32 VanDerWaalsContact O-N 3.14Å; D30-R60 PolarHBondContact O-NH1 2.92Å
31	C	98.3	Very high	90.8	Very high	3 Å²	3	78.4 Å²	78.4	2%	0.02	42%	0.418	C	S	.	.	S	Bend	trans	-74	98.6	169.7	-177	0	0	0	0	109.2	C64 V65 V75 G78 F80	C31-C64 WeakPolarHBondContact CA-SG 3.3Å; C31-C64 HydrophobicContact CB-CB 4.02Å; C31-C64 WeakPolarHBondContact CB-SG 3.4Å; C31-C64 WeakPolarHBondContact SG-CB 3.12Å; C31-C64 CovalentContact SG-SG 2.03Å; C31-C64 PolarHBondContact SG-SG 3.32Å; C31-V65 WeakPolarHBondContact O-CG2 3.41Å; C31-V75 HydrophobicContact CB-CG1 3.91Å; C31-G78 WeakPolarHBondContact CA-O 3.23Å; C31-G78 WeakPolarHBondContact CB-O 3.03Å; C31-G78 PolarHBondContact N-O 3.16Å; C31-F80 HydrophobicContact CB-CD1 3.81Å; C31-F80 HydrophobicContact CB-CE1 3.99Å
32	V	98.1	Very high	93	Very high	69 Å²	69	72.7 Å²	72.7	42%	0.418	40%	0.399	S	S	.	.			trans	-132.6	162	176.2	-61.9	0	0	0	0	109.9	D30 T34 C64	D30-V32 HydrophobicContact CB-CG1 4.23Å; D30-V32 PolarHBondContact O-N 3.38Å; D30-V32 VanDerWaalsContact O-N 3.14Å; V32-T34 HydrophobicContact CG2-CG2 4.17Å; V32-C64 WeakPolarHBondContact O-CB 3.37Å; V32-C64 PolarHBondContact O-N 3.47Å
33	N	98.3	Very high	94.9	Very high	44 Å²	44	65 Å²	65	24%	0.235	36%	0.364	C	S	.	.	B	Isolated β-bridge	trans	-86.8	109.6	163.8	-68.1	-15.5	0	0	0	108	W35 E62 C63 C64 V65 T66	N33-W35 VanDerWaalsContact C-N 3.33Å; N33-W35 WeakPolarHBondContact CB-O 3.48Å; N33-E62 CarbonylContact C-O 3.47Å; N33-E62 WeakPolarHBondContact CA-O 3.36Å; N33-C63 WeakPolarHBondContact OD1-CA 3.5Å; N33-C63 PolarHBondContact OD1-O 2.94Å; N33-C64 PolarHBondContact OD1-N 3.44Å; N33-V65 PolarHBondContact OD1-N 2.91Å; N33-T66 PolarHBondContact ND2-OG1 2.89Å; N33-T66 PolarHBondContact OD1-N 3.1Å
34	T	97.8	Very high	96.6	Very high	69 Å²	69	58.9 Å²	58.9	42%	0.423	34%	0.338	S	S	.	.	S	Bend	trans	-78.3	-26.6	171.5	62	0	0	0	0	111	V32 Y61 E62 P128	V32-T34 HydrophobicContact CG2-CG2 4.17Å; T34-Y61 VanDerWaalsContact CG2-O 3.25Å; T34-Y61 WeakPolarHBondContact CG2-O 3.35Å; T34-Y61 PolarHBondContact OG1-O 3.44Å; T34-Y61 VanDerWaalsContact OG1-O 3.13Å; T34-E62 PolarHBondContact N-O 2.89Å; T34-E62 VanDerWaalsContact OG1-CA 3.31Å; T34-E62 WeakPolarHBondContact OG1-CA 3.2Å; T34-E62 PolarHBondContact OG1-O 3.44Å; T34-P128 HydrophobicContact CG2-CB 4.14Å; T34-P128 HydrophobicContact CG2-CG 3.73Å
35	W	97.9	Very high	97.4	Very high	87 Å²	87	63 Å²	63	33%	0.33	34%	0.343	S	S	.	.	S	Bend	trans	-86.1	153	169.1	-75.3	17.9	0	0	0	111.6	N33 R37 L39 F58 E62	N33-W35 VanDerWaalsContact C-N 3.33Å; N33-W35 WeakPolarHBondContact CB-O 3.48Å; W35-R37 PolarHBondContact O-N 3.08Å; W35-L39 HydrophobicContact CB-CD2 4.32Å; W35-L39 HydrophobicContact CD2-CD2 3.6Å; W35-L39 HydrophobicContact CD2-CG 4.27Å; W35-L39 HydrophobicContact CE3-CB 4.37Å; W35-L39 HydrophobicContact CE3-CD2 3.28Å; W35-L39 HydrophobicContact CE3-CG 3.49Å; W35-L39 VanDerWaalsContact CE3-CG 3.49Å; W35-L39 HydrophobicContact CG-CD2 4.09Å; W35-L39 HydrophobicContact CH2-CD2 4.46Å; W35-L39 HydrophobicContact CZ3-CD2 3.75Å; W35-L39 HydrophobicContact CZ3-CG 3.88Å; W35-F58 HydrophobicContact CZ3-CE2 4.47Å; W35-E62 HydrophobicContact CD2-CB 4.29Å; W35-E62 VanDerWaalsContact CE2-OE1 3.29Å; W35-E62 HydrophobicContact CG-CB 4.29Å; W35-E62 WeakPolarHBondContact CZ2-OE1 3.42Å; W35-E62 PolarHBondContact N-O 2.78Å; W35-E62 VanDerWaalsContact N-O 3.17Å; W35-E62 PolarHBondContact NE1-OE1 3.41Å
36	P	98.4	Very high	97.8	Very high	84 Å²	84	63.8 Å²	63.8	55%	0.545	35%	0.348	S	S	.	.			trans	-56.2	138.4	169.9	-23.9	34.2	0	0	0	111.3	S38 L39 C40	P36-S38 PolarHBondContact O-N 2.03Å; P36-S38 VanDerWaalsContact O-N 3.1Å; P36-L39 WeakPolarHBondContact O-CA 3.33Å; P36-L39 WeakPolarHBondContact O-CB 3.42Å; P36-L39 PolarHBondContact O-N 3.01Å; P36-C40 PolarHBondContact O-N 2.83Å; P36-C40 VanDerWaalsContact O-N 3.13Å
37	R	97.9	Very high	98	Very high	136 Å²	136	70.6 Å²	70.6	51%	0.513	37%	0.373	S	S	.	.	H	α-helix	trans	-54.6	-34.3	-179.4	-170.7	177.9	-170.3	-159.1	9.5	113.1	W35 L39 C40 N41 E69	W35-R37 PolarHBondContact O-N 3.08Å; R37-L39 VanDerWaalsContact C-N 3.31Å; R37-L39 PolarHBondContact O-N 3.25Å; R37-C40 PolarHBondContact O-N 3.46Å; R37-N41 WeakPolarHBondContact O-CB 3.33Å; R37-N41 VanDerWaalsContact O-CG 3.3Å; R37-N41 PolarHBondContact O-N 3.33Å; R37-N41 PolarHBondContact O-ND2 3.14Å; R37-E69 IonicContact CZ-OE2 3.71Å; R37-E69 IonicContact NE-OE2 3.85Å; R37-E69 IonicContact NH2-OE1 3.41Å; R37-E69 PolarHBondContact NH2-OE1 3.38Å; R37-E69 IonicContact NH2-OE2 2.78Å; R37-E69 PolarHBondContact NH2-OE2 3.28Å
38	S	98.2	Very high	98.1	Very high	90 Å²	90	67.9 Å²	67.9	63%	0.629	36%	0.361	S	S	*	.	H	α-helix	trans	-60.4	-40.5	175.2	51.3	0	0	0	0	112.3	P36 S42	P36-S38 PolarHBondContact O-N 2.03Å; P36-S38 VanDerWaalsContact O-N 3.1Å; S38-S42 WeakPolarHBondContact O-CB 3.44Å; S38-S42 PolarHBondContact O-N 3.17Å
39	L	98.6	Very high	98.1	Very high	75 Å²	75	73 Å²	73	39%	0.393	38%	0.381	S	S	.	.	H	α-helix	trans	-69.4	-46.1	177.2	-173.2	60	0	0	0	110.6	W35 P36 R37 N41 S42 T43	W35-L39 HydrophobicContact CB-CD2 4.32Å; W35-L39 HydrophobicContact CD2-CD2 3.6Å; W35-L39 HydrophobicContact CD2-CG 4.27Å; W35-L39 HydrophobicContact CE3-CB 4.37Å; W35-L39 HydrophobicContact CE3-CD2 3.28Å; W35-L39 HydrophobicContact CE3-CG 3.49Å; W35-L39 VanDerWaalsContact CE3-CG 3.49Å; W35-L39 HydrophobicContact CG-CD2 4.09Å; W35-L39 HydrophobicContact CH2-CD2 4.46Å; W35-L39 HydrophobicContact CZ3-CD2 3.75Å; W35-L39 HydrophobicContact CZ3-CG 3.88Å; P36-L39 WeakPolarHBondContact O-CA 3.33Å; P36-L39 WeakPolarHBondContact O-CB 3.42Å; P36-L39 PolarHBondContact O-N 3.01Å; R37-L39 VanDerWaalsContact C-N 3.31Å; R37-L39 PolarHBondContact O-N 3.25Å; L39-N41 VanDerWaalsContact C-N 3.35Å; L39-N41 PolarHBondContact O-N 3.29Å; L39-S42 WeakPolarHBondContact O-CB 2.99Å; L39-S42 PolarHBondContact O-N 3.05Å; L39-S42 VanDerWaalsContact O-N 3.16Å; L39-T43 PolarHBondContact O-N 3.48Å; L39-T43 PolarHBondContact O-OG1 3.29Å; L39-T43 VanDerWaalsContact O-OG1 3.08Å
40	C	98.8	Very high	98.1	Very high	0 Å²	0	74.3 Å²	74.3	0%	0	40%	0.398	C	S	.	.	H	α-helix	trans	-54.1	-50	173.8	-62.1	0	0	0	0	111.9	P36 R37 S42 T43 L44 C63 T66	P36-C40 PolarHBondContact O-N 2.83Å; P36-C40 VanDerWaalsContact O-N 3.13Å; R37-C40 PolarHBondContact O-N 3.46Å; C40-S42 VanDerWaalsContact C-N 3.34Å; C40-S42 PolarHBondContact O-N 2.83Å; C40-T43 PolarHBondContact O-N 3.27Å; C40-L44 WeakPolarHBondContact O-CG 3.38Å; C40-L44 PolarHBondContact O-N 2.94Å; C40-C63 WeakPolarHBondContact CA-SG 3.33Å; C40-C63 HydrophobicContact CB-CB 3.69Å; C40-C63 WeakPolarHBondContact CB-SG 3.33Å; C40-C63 VanDerWaalsContact SG-CA 3.59Å; C40-C63 WeakPolarHBondContact SG-CB 3.37Å; C40-C63 CovalentContact SG-SG 2.03Å; C40-C63 PolarHBondContact SG-SG 2.85Å; C40-T66 HydrophobicContact CB-CG2 3.81Å
41	N	98.5	Very high	98.1	Very high	73 Å²	73	71.3 Å²	71.3	39%	0.39	38%	0.382	S	S	.	.	H	α-helix	trans	-63.2	-39.1	178.4	-73.8	-20	0	0	0	112.6	R37 L39 L44 K45 T66	R37-N41 WeakPolarHBondContact O-CB 3.33Å; R37-N41 VanDerWaalsContact O-CG 3.3Å; R37-N41 PolarHBondContact O-N 3.33Å; R37-N41 PolarHBondContact O-ND2 3.14Å; L39-N41 VanDerWaalsContact C-N 3.35Å; L39-N41 PolarHBondContact O-N 3.29Å; N41-L44 PolarHBondContact O-N 3.26Å; N41-K45 PolarHBondContact O-N 3.46Å; N41-T66 WeakPolarHBondContact OD1-CG2 3.1Å
42	S	98.5	Very high	98	Very high	66 Å²	66	71.3 Å²	71.3	46%	0.462	38%	0.382	S	S	.	.	H	α-helix	trans	-62.7	-45.5	175.7	-169.8	0	0	0	0	111.1	S38 L39 C40 L44 K45 T46	S38-S42 WeakPolarHBondContact O-CB 3.44Å; S38-S42 PolarHBondContact O-N 3.17Å; L39-S42 WeakPolarHBondContact O-CB 2.99Å; L39-S42 PolarHBondContact O-N 3.05Å; L39-S42 VanDerWaalsContact O-N 3.16Å; C40-S42 VanDerWaalsContact C-N 3.34Å; C40-S42 PolarHBondContact O-N 2.83Å; S42-L44 PolarHBondContact O-N 3.46Å; S42-K45 WeakPolarHBondContact O-CB 3.49Å; S42-K45 PolarHBondContact O-N 3.33Å; S42-K45 VanDerWaalsContact O-N 3.17Å; S42-T46 PolarHBondContact O-N 3.11Å; S42-T46 PolarHBondContact O-OG1 2.72Å
43	T	98.5	Very high	98	Very high	17 Å²	17	70.2 Å²	70.2	10%	0.104	38%	0.375	C	S	.	.	H	α-helix	trans	-61.2	-44.4	176.2	-57.1	0	0	0	0	111.2	L39 C40 K45 T46 Y47 I51 F58	L39-T43 PolarHBondContact O-N 3.48Å; L39-T43 PolarHBondContact O-OG1 3.29Å; L39-T43 VanDerWaalsContact O-OG1 3.08Å; C40-T43 PolarHBondContact O-N 3.27Å; T43-K45 VanDerWaalsContact C-N 3.28Å; T43-K45 PolarHBondContact O-N 3.26Å; T43-T46 PolarHBondContact O-N 3.13Å; T43-T46 VanDerWaalsContact O-N 3.16Å; T43-Y47 HydrophobicContact CG2-CD2 3.61Å; T43-Y47 HydrophobicContact CG2-CE2 4.08Å; T43-Y47 WeakPolarHBondContact O-CD2 3.31Å; T43-Y47 PolarHBondContact O-N 3.26Å; T43-I51 HydrophobicContact CG2-CD1 3.98Å; T43-F58 HydrophobicContact CG2-CD2 4.13Å; T43-F58 HydrophobicContact CG2-CE2 3.51Å; T43-F58 HydrophobicContact CG2-CZ 3.73Å
44	L	98.3	Very high	97.8	Very high	15 Å²	15	72.8 Å²	72.8	8%	0.079	40%	0.397	C	S	.	.	H	α-helix	trans	-61.1	-35.1	175.2	-68.6	-179	0	0	0	113.1	C40 N41 S42 G48 I51 C52 F58 T66 V70	C40-L44 WeakPolarHBondContact O-CG 3.38Å; C40-L44 PolarHBondContact O-N 2.94Å; N41-L44 PolarHBondContact O-N 3.26Å; S42-L44 PolarHBondContact O-N 3.46Å; L44-G48 CarbonylContact O-C 3.38Å; L44-G48 WeakPolarHBondContact O-CA 3.44Å; L44-G48 PolarHBondContact O-N 3.39Å; L44-I51 HydrophobicContact CD2-CG2 3.74Å; L44-C52 WeakPolarHBondContact CD2-SG 3.02Å; L44-F58 HydrophobicContact CD2-CE1 3.95Å; L44-F58 HydrophobicContact CD2-CZ 4.29Å; L44-F58 HydrophobicContact CG-CZ 4.49Å; L44-T66 HydrophobicContact CD1-CG2 3.64Å; L44-V70 HydrophobicContact CD1-CG1 3.92Å; L44-V70 HydrophobicContact CD1-CG2 4.18Å
45	K	98.1	Very high	97.7	Very high	188 Å²	188	72.4 Å²	72.4	82%	0.817	39%	0.392	S	S	*	.	H	α-helix	trans	-68.6	-38.5	175.7	-174.9	179.4	176.9	-177	0	111.7	N41 S42 T43	N41-K45 PolarHBondContact O-N 3.46Å; S42-K45 WeakPolarHBondContact O-CB 3.49Å; S42-K45 PolarHBondContact O-N 3.33Å; S42-K45 VanDerWaalsContact O-N 3.17Å; T43-K45 VanDerWaalsContact C-N 3.28Å; T43-K45 PolarHBondContact O-N 3.26Å
46	T	98.3	Very high	97.5	Very high	95 Å²	95	70.1 Å²	70.1	58%	0.583	39%	0.385	S	S	*	.	H	α-helix	trans	-75.6	-45.8	-178.4	-59.5	0	0	0	0	112.6	S42 T43	S42-T46 PolarHBondContact O-N 3.11Å; S42-T46 PolarHBondContact O-OG1 2.72Å; T43-T46 PolarHBondContact O-N 3.13Å; T43-T46 VanDerWaalsContact O-N 3.16Å
47	Y	97.9	Very high	97.4	Very high	165 Å²	165	67.9 Å²	67.9	65%	0.647	37%	0.367	S	S	*	.	H	α-helix	trans	-104.6	-4.7	-172.4	-60.5	-78.8	0	0	0	113.7	T43 I51	T43-Y47 HydrophobicContact CG2-CD2 3.61Å; T43-Y47 HydrophobicContact CG2-CE2 4.08Å; T43-Y47 WeakPolarHBondContact O-CD2 3.31Å; T43-Y47 PolarHBondContact O-N 3.26Å; Y47-I51 HydrophobicContact CD2-CD1 4.19Å; Y47-I51 HydrophobicContact CG-CD1 4.13Å
48	G	98	Very high	97.4	Very high	31 Å²	31	61.6 Å²	61.6	32%	0.32	34%	0.343	S	S	.	.			trans	77.3	167.7	-175.3	0	0	0	0	0	113.1	L44 G50 I51	L44-G48 CarbonylContact O-C 3.38Å; L44-G48 WeakPolarHBondContact O-CA 3.44Å; L44-G48 PolarHBondContact O-N 3.39Å; G48-G50 PolarHBondContact O-N 2.94Å; G48-G50 VanDerWaalsContact O-N 3.14Å; G48-I51 WeakPolarHBondContact O-CG2 3.38Å; G48-I51 PolarHBondContact O-N 3.19Å
49	K	96.5	Very high	97.4	Very high	122 Å²	122	57.3 Å²	57.3	53%	0.53	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-20.9	-178.6	-62.6	-179.4	178.9	-174	0	114	I51 C52 V70	K49-I51 PolarHBondContact O-N 3.18Å; K49-C52 WeakPolarHBondContact O-CB 3.44Å; K49-C52 PolarHBondContact O-N 3Å; K49-V70 HydrophobicContact CD-CB 4.14Å; K49-V70 HydrophobicContact CG-CB 4.38Å; K49-V70 HydrophobicContact CG-CG2 4.37Å
50	G	97	Very high	97.3	Very high	44 Å²	44	53.9 Å²	53.9	45%	0.454	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-21.8	-179.1	0	0	0	0	0	114.1	G48 C52 T53 S54	G48-G50 PolarHBondContact O-N 2.94Å; G48-G50 VanDerWaalsContact O-N 3.14Å; G50-C52 PolarHBondContact O-N 3.4Å; G50-T53 PolarHBondContact O-N 3.07Å; G50-T53 PolarHBondContact O-OG1 2.88Å; G50-S54 WeakPolarHBondContact O-CB 3.41Å; G50-S54 PolarHBondContact O-N 3.5Å; G50-S54 PolarHBondContact O-OG 2.04Å
51	I	97.4	Very high	97.3	Very high	25 Å²	25	54.1 Å²	54.1	13%	0.128	30%	0.296	C	S	.	.	H	α-helix	trans	-61.7	-29.7	175.9	-165.1	168.1	0	0	0	112.1	T43 L44 Y47 G48 K49 T53 S54 D55 F58	T43-I51 HydrophobicContact CG2-CD1 3.98Å; L44-I51 HydrophobicContact CD2-CG2 3.74Å; Y47-I51 HydrophobicContact CD2-CD1 4.19Å; Y47-I51 HydrophobicContact CG-CD1 4.13Å; G48-I51 WeakPolarHBondContact O-CG2 3.38Å; G48-I51 PolarHBondContact O-N 3.19Å; K49-I51 PolarHBondContact O-N 3.18Å; I51-T53 PolarHBondContact O-N 3.18Å; I51-S54 WeakPolarHBondContact CA-OG 3.04Å; I51-S54 PolarHBondContact O-N 3.2Å; I51-D55 HydrophobicContact CG1-CB 3.81Å; I51-D55 PolarHBondContact O-N 3.22Å; I51-F58 HydrophobicContact CB-CD1 4.29Å; I51-F58 HydrophobicContact CD1-CD1 4.26Å; I51-F58 HydrophobicContact CD1-CG 4.26Å; I51-F58 HydrophobicContact CG1-CB 4.43Å; I51-F58 HydrophobicContact CG1-CD1 3.85Å; I51-F58 HydrophobicContact CG1-CE1 4.44Å; I51-F58 HydrophobicContact CG1-CG 4.19Å; I51-F58 HydrophobicContact CG2-CD1 3.67Å; I51-F58 HydrophobicContact CG2-CE1 3.44Å; I51-F58 VanDerWaalsContact CG2-CE1 3.44Å; I51-F58 HydrophobicContact CG2-CZ 4.25Å
52	C	97.8	Very high	97.3	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.014	28%	0.283	C	S	.	.	H	α-helix	trans	-60.5	-28.7	177.9	-70.2	0	0	0	0	114	L44 K49 G50 C67 L71 F86	L44-C52 WeakPolarHBondContact CD2-SG 3.02Å; K49-C52 WeakPolarHBondContact O-CB 3.44Å; K49-C52 PolarHBondContact O-N 3Å; G50-C52 PolarHBondContact O-N 3.4Å; C52-C67 WeakPolarHBondContact CA-SG 3.29Å; C52-C67 HydrophobicContact CB-CB 3.59Å; C52-C67 WeakPolarHBondContact CB-SG 3.49Å; C52-C67 WeakPolarHBondContact SG-CA 3.37Å; C52-C67 WeakPolarHBondContact SG-CB 3.41Å; C52-C67 CovalentContact SG-SG 2.04Å; C52-C67 PolarHBondContact SG-SG 2.71Å; C52-L71 HydrophobicContact CB-CD1 3.89Å; C52-L71 HydrophobicContact CB-CG 4.4Å; C52-F86 WeakPolarHBondContact O-CD2 3.34Å
53	T	96.5	Very high	97.3	Very high	46 Å²	46	48.7 Å²	48.7	28%	0.282	26%	0.261	S	S	.	.	H	α-helix	trans	-108	-25.8	-178.3	55.5	0	0	0	0	112.8	G50 I51 L71 N84 F86	G50-T53 PolarHBondContact O-N 3.07Å; G50-T53 PolarHBondContact O-OG1 2.88Å; I51-T53 PolarHBondContact O-N 3.18Å; T53-L71 HydrophobicContact CG2-CD1 3.87Å; T53-L71 HydrophobicContact CG2-CD2 4.3Å; T53-N84 WeakPolarHBondContact CG2-O 3.45Å; T53-F86 HydrophobicContact CG2-CB 4.19Å
54	S	94.8	Very high	97.3	Very high	99 Å²	99	47.9 Å²	47.9	69%	0.692	26%	0.256	S	S	*	.	H	α-helix	trans	-87.3	-32.3	-180	54.3	0	0	0	0	113.3	G50 I51	G50-S54 WeakPolarHBondContact O-CB 3.41Å; G50-S54 PolarHBondContact O-N 3.5Å; G50-S54 PolarHBondContact O-OG 2.04Å; I51-S54 WeakPolarHBondContact CA-OG 3.04Å; I51-S54 PolarHBondContact O-N 3.2Å
55	D	95.2	Very high	97.3	Very high	61 Å²	61	49.2 Å²	49.2	33%	0.326	27%	0.265	S	S	.	.			trans	-107.1	99.9	171.3	-173.1	-24	0	0	0	108.9	I51 F57 F58 G59	I51-D55 HydrophobicContact CG1-CB 3.81Å; I51-D55 PolarHBondContact O-N 3.22Å; D55-F57 PolarHBondContact O-N 3.42Å; D55-F57 WeakPolarHBondContact OD1-CA 3.31Å; D55-F57 WeakPolarHBondContact OD1-CB 3Å; D55-F57 PolarHBondContact OD1-N 2.84Å; D55-F58 HydrophobicContact CB-CB 3.93Å; D55-F58 PolarHBondContact O-N 3.42Å; D55-F58 PolarHBondContact OD1-N 3.13Å; D55-G59 PolarHBondContact O-N 3.3Å
56	H	94.5	Very high	97.3	Very high	38 Å²	38	40.3 Å²	40.3	18%	0.176	23%	0.226	C	C	.	.	H	α-helix	trans	-65	-30.7	-179.4	-168.4	-104.8	0	0	0	112	R60 Y61 T87	H56-R60 WeakPolarHBondContact O-CB 3.46Å; H56-R60 PolarHBondContact O-N 2.81Å; H56-Y61 AromaticContact CE1-CE2 3.61Å; H56-Y61 AromaticContact ND1-CE2 3.6Å; H56-T87 PolarHBondContact NE2-O 3.33Å; H56-T87 PolarHBondContact NE2-OG1 3.35Å
57	F	96.1	Very high	97.3	Very high	38 Å²	38	35.8 Å²	35.8	17%	0.167	20%	0.198	C	C	.	.	H	α-helix	trans	-67.6	-54.1	178	-174.8	-130.1	0	0	0	110.6	D55 G59 Y61 E62 L129 Y132	D55-F57 PolarHBondContact O-N 3.42Å; D55-F57 WeakPolarHBondContact OD1-CA 3.31Å; D55-F57 WeakPolarHBondContact OD1-CB 3Å; D55-F57 PolarHBondContact OD1-N 2.84Å; F57-G59 VanDerWaalsContact C-N 3.34Å; F57-G59 PolarHBondContact O-N 3.03Å; F57-Y61 HydrophobicContact CD2-CD2 4.21Å; F57-Y61 HydrophobicContact CD2-CG 4.21Å; F57-Y61 WeakPolarHBondContact O-CA 3.4Å; F57-Y61 WeakPolarHBondContact O-CB 3.32Å; F57-Y61 PolarHBondContact O-N 3.44Å; F57-E62 HydrophobicContact CD1-CG 4.06Å; F57-E62 HydrophobicContact CE1-CG 3.73Å; F57-E62 WeakPolarHBondContact CE1-OE1 3.25Å; F57-E62 HydrophobicContact CE2-CG 4.19Å; F57-E62 HydrophobicContact CG-CG 4.44Å; F57-E62 HydrophobicContact CZ-CG 3.78Å; F57-E62 PolarHBondContact O-N 2.87Å; F57-E62 VanDerWaalsContact O-N 3.07Å; F57-L129 HydrophobicContact CE1-CD1 4.16Å; F57-L129 HydrophobicContact CE2-CB 4.34Å; F57-L129 HydrophobicContact CE2-CD1 3.89Å; F57-L129 HydrophobicContact CZ-CB 4.26Å; F57-L129 HydrophobicContact CZ-CD1 3.52Å; F57-L129 HydrophobicContact CZ-CG 4.49Å; F57-Y132 HydrophobicContact CB-CD1 3.94Å; F57-Y132 HydrophobicContact CB-CD2 3.84Å; F57-Y132 HydrophobicContact CB-CE1 3.73Å; F57-Y132 HydrophobicContact CB-CE2 3.63Å; F57-Y132 HydrophobicContact CB-CG 4Å; F57-Y132 AromaticContact CD2-CD1 3.37Å; F57-Y132 HydrophobicContact CD2-CD1 3.37Å; F57-Y132 AromaticContact CD2-CD2 3.9Å; F57-Y132 HydrophobicContact CD2-CD2 3.9Å; F57-Y132 HydrophobicContact CD2-CE1 4.05Å; F57-Y132 HydrophobicContact CD2-CE2 4.5Å; F57-Y132 AromaticContact CD2-CG 3.3Å; F57-Y132 HydrophobicContact CD2-CG 3.3Å; F57-Y132 HydrophobicContact CE2-CD1 4.05Å; F57-Y132 HydrophobicContact CE2-CG 4.1Å; F57-Y132 AromaticContact CG-CD1 3.68Å; F57-Y132 HydrophobicContact CG-CD1 3.68Å; F57-Y132 HydrophobicContact CG-CD2 4.26Å; F57-Y132 AromaticContact CG-CE1 3.86Å; F57-Y132 HydrophobicContact CG-CE1 3.86Å; F57-Y132 HydrophobicContact CG-CE2 4.41Å; F57-Y132 AromaticContact CG-CG 3.91Å; F57-Y132 HydrophobicContact CG-CG 3.91Å
58	F	97.7	Very high	97.3	Very high	4 Å²	4	27.9 Å²	27.9	2%	0.018	17%	0.167	C	C	.	.	I	π-helix	trans	-56.2	-51.8	177.3	174.3	-96.9	0	0	0	110.9	W35 T43 L44 I51 D55 E62 C63 C67	W35-F58 HydrophobicContact CZ3-CE2 4.47Å; T43-F58 HydrophobicContact CG2-CD2 4.13Å; T43-F58 HydrophobicContact CG2-CE2 3.51Å; T43-F58 HydrophobicContact CG2-CZ 3.73Å; L44-F58 HydrophobicContact CD2-CE1 3.95Å; L44-F58 HydrophobicContact CD2-CZ 4.29Å; L44-F58 HydrophobicContact CG-CZ 4.49Å; I51-F58 HydrophobicContact CB-CD1 4.29Å; I51-F58 HydrophobicContact CD1-CD1 4.26Å; I51-F58 HydrophobicContact CD1-CG 4.26Å; I51-F58 HydrophobicContact CG1-CB 4.43Å; I51-F58 HydrophobicContact CG1-CD1 3.85Å; I51-F58 HydrophobicContact CG1-CE1 4.44Å; I51-F58 HydrophobicContact CG1-CG 4.19Å; I51-F58 HydrophobicContact CG2-CD1 3.67Å; I51-F58 HydrophobicContact CG2-CE1 3.44Å; I51-F58 VanDerWaalsContact CG2-CE1 3.44Å; I51-F58 HydrophobicContact CG2-CZ 4.25Å; D55-F58 HydrophobicContact CB-CB 3.93Å; D55-F58 PolarHBondContact O-N 3.42Å; D55-F58 PolarHBondContact OD1-N 3.13Å; F58-E62 PolarHBondContact O-N 3.49Å; F58-C63 HydrophobicContact CD2-CB 4.42Å; F58-C63 HydrophobicContact CE1-CB 4.17Å; F58-C63 HydrophobicContact CE2-CB 3.88Å; F58-C63 WeakPolarHBondContact CE2-SG 3.05Å; F58-C63 HydrophobicContact CZ-CB 3.75Å; F58-C63 PolarHBondContact O-N 2.86Å; F58-C67 VanDerWaalsContact CE1-SG 3.59Å
59	G	97.9	Very high	97.3	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.172	C	C	.	.	I	π-helix	trans	-62.9	-53.1	-176.6	0	0	0	0	0	112.7	D55 F57 C64 F86	D55-G59 PolarHBondContact O-N 3.3Å; F57-G59 VanDerWaalsContact C-N 3.34Å; F57-G59 PolarHBondContact O-N 3.03Å; G59-C64 WeakPolarHBondContact O-CA 3.45Å; G59-C64 PolarHBondContact O-N 3.14Å; G59-F86 VanDerWaalsContact O-CE2 3.31Å; G59-F86 WeakPolarHBondContact O-CE2 3.33Å
60	R	97.7	Very high	97.3	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.008	16%	0.156	C	C	.	.	I	π-helix	trans	-92.1	-28.3	-168.5	177	56.1	-174.8	89.6	1.6	114.1	V29 D30 H56 C64 T87 Y88	V29-R60 PolarHBondContact O-NH1 3.14Å; V29-R60 PolarHBondContact O-NH2 3.37Å; D30-R60 PolarHBondContact O-NH1 2.92Å; H56-R60 WeakPolarHBondContact O-CB 3.46Å; H56-R60 PolarHBondContact O-N 2.81Å; R60-C64 WeakPolarHBondContact O-CB 3.36Å; R60-T87 WeakPolarHBondContact CD-O 3Å; R60-Y88 PolarHBondContact NE-O 3.5Å; R60-Y88 PolarHBondContact NH2-O 3.03Å; R60-Y88 VanDerWaalsContact NH2-O 3.15Å
61	Y	98	Very high	97.3	Very high	5 Å²	5	25.9 Å²	25.9	2%	0.02	14%	0.143	C	C	.	.	I	π-helix	trans	-119.5	-21.5	-168.3	-62.5	-85.3	0	0	0	114	V29 T34 H56 F57 P128 Q131 Y132	V29-Y61 HydrophobicContact CG2-CD1 3.74Å; V29-Y61 HydrophobicContact CG2-CE1 3.76Å; T34-Y61 VanDerWaalsContact CG2-O 3.25Å; T34-Y61 WeakPolarHBondContact CG2-O 3.35Å; T34-Y61 PolarHBondContact OG1-O 3.44Å; T34-Y61 VanDerWaalsContact OG1-O 3.13Å; H56-Y61 AromaticContact CE1-CE2 3.61Å; H56-Y61 AromaticContact ND1-CE2 3.6Å; F57-Y61 HydrophobicContact CD2-CD2 4.21Å; F57-Y61 HydrophobicContact CD2-CG 4.21Å; F57-Y61 WeakPolarHBondContact O-CA 3.4Å; F57-Y61 WeakPolarHBondContact O-CB 3.32Å; F57-Y61 PolarHBondContact O-N 3.44Å; Y61-P128 HydrophobicContact CD1-CB 4.02Å; Y61-P128 VanDerWaalsContact CD1-O 3.23Å; Y61-P128 WeakPolarHBondContact CD1-O 2.97Å; Y61-Q131 HydrophobicContact CE1-CB 3.85Å; Y61-Y132 AromaticContact CD2-CD2 3.91Å; Y61-Y132 HydrophobicContact CD2-CD2 3.91Å; Y61-Y132 HydrophobicContact CD2-CG 4.2Å; Y61-Y132 AromaticContact CE2-CD2 3.83Å; Y61-Y132 HydrophobicContact CE2-CD2 3.83Å; Y61-Y132 HydrophobicContact CE2-CG 4.31Å
62	E	98.1	Very high	97.3	Very high	25 Å²	25	32.3 Å²	32.3	12%	0.117	17%	0.172	C	C	.	.	I	π-helix	trans	-101.1	-49.1	177.6	-60	-172.2	132.8	0	0	113.7	N33 T34 W35 F57 F58	N33-E62 CarbonylContact C-O 3.47Å; N33-E62 WeakPolarHBondContact CA-O 3.36Å; T34-E62 PolarHBondContact N-O 2.89Å; T34-E62 VanDerWaalsContact OG1-CA 3.31Å; T34-E62 WeakPolarHBondContact OG1-CA 3.2Å; T34-E62 PolarHBondContact OG1-O 3.44Å; W35-E62 HydrophobicContact CD2-CB 4.29Å; W35-E62 VanDerWaalsContact CE2-OE1 3.29Å; W35-E62 HydrophobicContact CG-CB 4.29Å; W35-E62 WeakPolarHBondContact CZ2-OE1 3.42Å; W35-E62 PolarHBondContact N-O 2.78Å; W35-E62 VanDerWaalsContact N-O 3.17Å; W35-E62 PolarHBondContact NE1-OE1 3.41Å; F57-E62 HydrophobicContact CD1-CG 4.06Å; F57-E62 HydrophobicContact CE1-CG 3.73Å; F57-E62 WeakPolarHBondContact CE1-OE1 3.25Å; F57-E62 HydrophobicContact CE2-CG 4.19Å; F57-E62 HydrophobicContact CG-CG 4.44Å; F57-E62 HydrophobicContact CZ-CG 3.78Å; F57-E62 PolarHBondContact O-N 2.87Å; F57-E62 VanDerWaalsContact O-N 3.07Å; F58-E62 PolarHBondContact O-N 3.49Å
63	C	98.6	Very high	97.2	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-129	39.3	-169.2	-72.6	0	0	0	0	112.5	N33 C40 F58 V65 T66 C67	N33-C63 WeakPolarHBondContact OD1-CA 3.5Å; N33-C63 PolarHBondContact OD1-O 2.94Å; C40-C63 WeakPolarHBondContact CA-SG 3.33Å; C40-C63 HydrophobicContact CB-CB 3.69Å; C40-C63 WeakPolarHBondContact CB-SG 3.33Å; C40-C63 VanDerWaalsContact SG-CA 3.59Å; C40-C63 WeakPolarHBondContact SG-CB 3.37Å; C40-C63 CovalentContact SG-SG 2.03Å; C40-C63 PolarHBondContact SG-SG 2.85Å; F58-C63 HydrophobicContact CD2-CB 4.42Å; F58-C63 HydrophobicContact CE1-CB 4.17Å; F58-C63 HydrophobicContact CE2-CB 3.88Å; F58-C63 WeakPolarHBondContact CE2-SG 3.05Å; F58-C63 HydrophobicContact CZ-CB 3.75Å; F58-C63 PolarHBondContact O-N 2.86Å; C63-V65 PolarHBondContact O-N 3.25Å; C63-T66 PolarHBondContact O-N 3.27Å; C63-C67 WeakPolarHBondContact O-CB 3.17Å; C63-C67 PolarHBondContact O-N 2.03Å
64	C	98.6	Very high	97.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-58.6	-49.7	-167.6	-169.1	0	0	0	0	115.1	C31 V32 N33 G59 R60 T66 C67 A68 F80	C31-C64 WeakPolarHBondContact CA-SG 3.3Å; C31-C64 HydrophobicContact CB-CB 4.02Å; C31-C64 WeakPolarHBondContact CB-SG 3.4Å; C31-C64 WeakPolarHBondContact SG-CB 3.12Å; C31-C64 CovalentContact SG-SG 2.03Å; C31-C64 PolarHBondContact SG-SG 3.32Å; V32-C64 WeakPolarHBondContact O-CB 3.37Å; V32-C64 PolarHBondContact O-N 3.47Å; N33-C64 PolarHBondContact OD1-N 3.44Å; G59-C64 WeakPolarHBondContact O-CA 3.45Å; G59-C64 PolarHBondContact O-N 3.14Å; R60-C64 WeakPolarHBondContact O-CB 3.36Å; C64-T66 VanDerWaalsContact C-N 3.34Å; C64-T66 PolarHBondContact O-N 3.49Å; C64-C67 PolarHBondContact O-N 2.81Å; C64-A68 WeakPolarHBondContact O-CB 3.35Å; C64-A68 PolarHBondContact O-N 2.9Å; C64-F80 VanDerWaalsContact SG-CE1 3.53Å
65	V	98.5	Very high	97.4	Very high	44 Å²	44	33.9 Å²	33.9	27%	0.267	18%	0.176	S	C	.	.	H	α-helix	trans	-64.9	-43.3	-179.6	172.8	0	0	0	0	110.3	C31 N33 C63 C67 A68 E69	C31-V65 WeakPolarHBondContact O-CG2 3.41Å; N33-V65 PolarHBondContact OD1-N 2.91Å; C63-V65 PolarHBondContact O-N 3.25Å; V65-C67 VanDerWaalsContact C-N 3.35Å; V65-C67 PolarHBondContact O-N 2.99Å; V65-A68 PolarHBondContact O-N 3.31Å; V65-E69 WeakPolarHBondContact O-CG 3.49Å; V65-E69 PolarHBondContact O-N 3.4Å
66	T	98.5	Very high	97.5	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-65.4	-38.4	178.5	-70.3	0	0	0	0	112.2	N33 C40 N41 L44 C63 C64 V70	N33-T66 PolarHBondContact ND2-OG1 2.89Å; N33-T66 PolarHBondContact OD1-N 3.1Å; C40-T66 HydrophobicContact CB-CG2 3.81Å; N41-T66 WeakPolarHBondContact OD1-CG2 3.1Å; L44-T66 HydrophobicContact CD1-CG2 3.64Å; C63-T66 PolarHBondContact O-N 3.27Å; C64-T66 VanDerWaalsContact C-N 3.34Å; C64-T66 PolarHBondContact O-N 3.49Å; T66-V70 PolarHBondContact O-N 3.15Å
67	C	98.5	Very high	97.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-67.2	-41.9	173.4	-85.5	0	0	0	0	112.6	C52 F58 C63 C64 V65 E69 V70 L71 F86	C52-C67 WeakPolarHBondContact CA-SG 3.29Å; C52-C67 HydrophobicContact CB-CB 3.59Å; C52-C67 WeakPolarHBondContact CB-SG 3.49Å; C52-C67 WeakPolarHBondContact SG-CA 3.37Å; C52-C67 WeakPolarHBondContact SG-CB 3.41Å; C52-C67 CovalentContact SG-SG 2.04Å; C52-C67 PolarHBondContact SG-SG 2.71Å; F58-C67 VanDerWaalsContact CE1-SG 3.59Å; C63-C67 WeakPolarHBondContact O-CB 3.17Å; C63-C67 PolarHBondContact O-N 2.03Å; C64-C67 PolarHBondContact O-N 2.81Å; V65-C67 VanDerWaalsContact C-N 3.35Å; V65-C67 PolarHBondContact O-N 2.99Å; C67-E69 PolarHBondContact O-N 3.15Å; C67-V70 VanDerWaalsContact O-CG2 3.31Å; C67-V70 WeakPolarHBondContact O-CG2 3.19Å; C67-V70 PolarHBondContact O-N 3.36Å; C67-L71 WeakPolarHBondContact O-CB 3.31Å; C67-L71 WeakPolarHBondContact O-CG 3.46Å; C67-L71 PolarHBondContact O-N 2.76Å; C67-L71 VanDerWaalsContact O-N 3.11Å; C67-F86 HydrophobicContact CB-CE2 3.72Å; C67-F86 HydrophobicContact CB-CZ 3.89Å
68	A	98.2	Very high	97.7	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-60.3	-44.3	175.8	0	0	0	0	0	111.7	C64 V65 V70 L71 H72 I73 V75 F86	C64-A68 WeakPolarHBondContact O-CB 3.35Å; C64-A68 PolarHBondContact O-N 2.9Å; V65-A68 PolarHBondContact O-N 3.31Å; A68-V70 PolarHBondContact O-N 3.37Å; A68-L71 CarbonylContact O-C 3.51Å; A68-L71 PolarHBondContact O-N 3.03Å; A68-H72 PolarHBondContact O-N 3.31Å; A68-I73 CarbonylContact C-O 3.51Å; A68-I73 HydrophobicContact CB-CB 4.2Å; A68-I73 HydrophobicContact CB-CG2 4.45Å; A68-I73 PolarHBondContact O-N 2.83Å; A68-V75 HydrophobicContact CB-CG2 3.48Å; A68-V75 VanDerWaalsContact CB-CG2 3.48Å; A68-F86 HydrophobicContact CB-CE1 3.98Å; A68-F86 HydrophobicContact CB-CZ 4.42Å
69	E	97.4	Very high	97.7	Very high	90 Å²	90	47 Å²	47	42%	0.421	24%	0.239	S	C	.	.	H	α-helix	trans	-56	-50.9	176.4	-75.6	174.8	170.3	0	0	112.1	R37 V65 C67 L71 H72	R37-E69 IonicContact CZ-OE2 3.71Å; R37-E69 IonicContact NE-OE2 3.85Å; R37-E69 IonicContact NH2-OE1 3.41Å; R37-E69 PolarHBondContact NH2-OE1 3.38Å; R37-E69 IonicContact NH2-OE2 2.78Å; R37-E69 PolarHBondContact NH2-OE2 3.28Å; V65-E69 WeakPolarHBondContact O-CG 3.49Å; V65-E69 PolarHBondContact O-N 3.4Å; C67-E69 PolarHBondContact O-N 3.15Å; E69-L71 PolarHBondContact O-N 3.41Å; E69-H72 PolarHBondContact O-N 2.81Å; E69-H72 VanDerWaalsContact O-N 3.13Å
70	V	96.7	Very high	97.6	Very high	32 Å²	32	47.8 Å²	47.8	19%	0.194	24%	0.242	C	C	.	.	H	α-helix	trans	-73	-18.4	-176.7	-58.8	0	0	0	0	113.6	L44 K49 T66 C67 A68	L44-V70 HydrophobicContact CD1-CG1 3.92Å; L44-V70 HydrophobicContact CD1-CG2 4.18Å; K49-V70 HydrophobicContact CD-CB 4.14Å; K49-V70 HydrophobicContact CG-CB 4.38Å; K49-V70 HydrophobicContact CG-CG2 4.37Å; T66-V70 PolarHBondContact O-N 3.15Å; C67-V70 VanDerWaalsContact O-CG2 3.31Å; C67-V70 WeakPolarHBondContact O-CG2 3.19Å; C67-V70 PolarHBondContact O-N 3.36Å; A68-V70 PolarHBondContact O-N 3.37Å
71	L	96.8	Very high	97.5	Very high	32 Å²	32	56 Å²	56	17%	0.168	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	0.9	174.2	-64.5	176.9	0	0	0	112.9	C52 T53 C67 A68 E69 I73 F86	C52-L71 HydrophobicContact CB-CD1 3.89Å; C52-L71 HydrophobicContact CB-CG 4.4Å; T53-L71 HydrophobicContact CG2-CD1 3.87Å; T53-L71 HydrophobicContact CG2-CD2 4.3Å; C67-L71 WeakPolarHBondContact O-CB 3.31Å; C67-L71 WeakPolarHBondContact O-CG 3.46Å; C67-L71 PolarHBondContact O-N 2.76Å; C67-L71 VanDerWaalsContact O-N 3.11Å; A68-L71 CarbonylContact O-C 3.51Å; A68-L71 PolarHBondContact O-N 3.03Å; E69-L71 PolarHBondContact O-N 3.41Å; L71-I73 VanDerWaalsContact C-N 3.34Å; L71-I73 HydrophobicContact CB-CD1 3.91Å; L71-I73 HydrophobicContact CB-CG1 4.15Å; L71-I73 HydrophobicContact CD1-CD1 4.35Å; L71-I73 PolarHBondContact O-N 3.2Å; L71-F86 HydrophobicContact CD1-CB 3.72Å; L71-F86 HydrophobicContact CD1-CD1 4.21Å; L71-F86 HydrophobicContact CD1-CD2 3.92Å; L71-F86 HydrophobicContact CD1-CG 3.7Å
72	H	96.1	Very high	97.2	Very high	160 Å²	160	58.2 Å²	58.2	74%	0.741	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	44.7	-177.5	-51	-67.9	0	0	0	112.9	A68 E69	A68-H72 PolarHBondContact O-N 3.31Å; E69-H72 PolarHBondContact O-N 2.81Å; E69-H72 VanDerWaalsContact O-N 3.13Å
73	I	97.2	Very high	96.9	Very high	18 Å²	18	62.6 Å²	62.6	9%	0.092	32%	0.323	C	S	.	.			trans	-110.6	125.9	176.7	-64.3	171.2	0	0	0	108	A68 L71 F80 K83 F86	A68-I73 CarbonylContact C-O 3.51Å; A68-I73 HydrophobicContact CB-CB 4.2Å; A68-I73 HydrophobicContact CB-CG2 4.45Å; A68-I73 PolarHBondContact O-N 2.83Å; L71-I73 VanDerWaalsContact C-N 3.34Å; L71-I73 HydrophobicContact CB-CD1 3.91Å; L71-I73 HydrophobicContact CB-CG1 4.15Å; L71-I73 HydrophobicContact CD1-CD1 4.35Å; L71-I73 PolarHBondContact O-N 3.2Å; I73-F80 HydrophobicContact CG2-CB 3.74Å; I73-F80 HydrophobicContact CG2-CD2 3.8Å; I73-F80 HydrophobicContact CG2-CG 4.03Å; I73-K83 HydrophobicContact CD1-CB 3.95Å; I73-K83 HydrophobicContact CG1-CB 4.32Å; I73-F86 HydrophobicContact CD1-CB 4.05Å; I73-F86 HydrophobicContact CD1-CD1 3.5Å; I73-F86 VanDerWaalsContact CD1-CD1 3.5Å; I73-F86 HydrophobicContact CD1-CE1 4.36Å; I73-F86 HydrophobicContact CD1-CG 4.15Å
74	T	96.9	Very high	96.1	Very high	119 Å²	119	67.9 Å²	67.9	73%	0.73	35%	0.352	S	S	*	.			trans	-77.6	128.9	177.2	-56.5	0	0	0	0	110.1	F80	T74-F80 WeakPolarHBondContact O-CB 3.4Å
75	V	98	Very high	95.8	Very high	43 Å²	43	74.1 Å²	74.1	26%	0.261	39%	0.385	S	S	.	.			trans	-101.3	117	169.3	-176.5	0	0	0	0	108.3	C31 A68 K79 F80	C31-V75 HydrophobicContact CB-CG1 3.91Å; A68-V75 HydrophobicContact CB-CG2 3.48Å; A68-V75 VanDerWaalsContact CB-CG2 3.48Å; V75-K79 CarbonylContact C-O 3.45Å; V75-K79 VanDerWaalsContact CA-O 3.3Å; V75-K79 WeakPolarHBondContact CA-O 3.34Å; V75-F80 HydrophobicContact CG2-CB 4.26Å; V75-F80 HydrophobicContact CG2-CD1 4.48Å
76	D	97.8	Very high	95.7	Very high	106 Å²	106	72.1 Å²	72.1	57%	0.567	37%	0.373	S	S	*	.	B	Isolated β-bridge	trans	-112.4	123.1	173.9	179.6	38.6	0	0	0	109.8	G78 K79	D76-G78 PolarHBondContact O-N 3.13Å; D76-G78 VanDerWaalsContact O-N 3.15Å; D76-K79 PolarHBondContact N-O 3.26Å; D76-K79 PolarHBondContact O-N 3.36Å
77	K	96.5	Very high	95.6	Very high	182 Å²	182	73.9 Å²	73.9	79%	0.791	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.1	46.7	-179.7	-62	171.5	-173.3	174.9	0	113	K79	K77-K79 VanDerWaalsContact C-N 3.25Å; K77-K79 PolarHBondContact O-N 2.96Å
78	G	97.4	Very high	95.5	Very high	13 Å²	13	74.1 Å²	74.1	13%	0.134	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.7	3.3	-179.7	0	0	0	0	0	115	C31 D76 Y88	C31-G78 WeakPolarHBondContact CA-O 3.23Å; C31-G78 WeakPolarHBondContact CB-O 3.03Å; C31-G78 PolarHBondContact N-O 3.16Å; D76-G78 PolarHBondContact O-N 3.13Å; D76-G78 VanDerWaalsContact O-N 3.15Å; G78-Y88 WeakPolarHBondContact O-CE2 3.45Å
79	K	97.4	Very high	95.4	Very high	115 Å²	115	77 Å²	77	50%	0.5	40%	0.396	S	S	.	.	B	Isolated β-bridge	trans	-117.5	152.4	-178.8	-61.4	-176.1	-179.9	-178.8	0	111.2	V75 D76 K77 Y88	V75-K79 CarbonylContact C-O 3.45Å; V75-K79 VanDerWaalsContact CA-O 3.3Å; V75-K79 WeakPolarHBondContact CA-O 3.34Å; D76-K79 PolarHBondContact N-O 3.26Å; D76-K79 PolarHBondContact O-N 3.36Å; K77-K79 VanDerWaalsContact C-N 3.25Å; K77-K79 PolarHBondContact O-N 2.96Å; K79-Y88 HydrophobicContact CB-CE2 4.39Å; K79-Y88 HydrophobicContact CG-CE2 4.24Å
80	F	97.1	Very high	95.4	Very high	17 Å²	17	74 Å²	74	8%	0.075	38%	0.382	C	S	.	.			trans	-146.4	156.9	173.9	66.1	-92.1	0	0	0	111.3	C31 C64 I73 T74 V75 F86 Y88	C31-F80 HydrophobicContact CB-CD1 3.81Å; C31-F80 HydrophobicContact CB-CE1 3.99Å; C64-F80 VanDerWaalsContact SG-CE1 3.53Å; I73-F80 HydrophobicContact CG2-CB 3.74Å; I73-F80 HydrophobicContact CG2-CD2 3.8Å; I73-F80 HydrophobicContact CG2-CG 4.03Å; T74-F80 WeakPolarHBondContact O-CB 3.4Å; V75-F80 HydrophobicContact CG2-CB 4.26Å; V75-F80 HydrophobicContact CG2-CD1 4.48Å; F80-F86 HydrophobicContact CD1-CE1 4.3Å; F80-F86 AromaticContact CD2-CD1 4Å; F80-F86 HydrophobicContact CD2-CD1 4Å; F80-F86 HydrophobicContact CD2-CE1 4.03Å; F80-F86 HydrophobicContact CE1-CD1 4.44Å; F80-F86 AromaticContact CE1-CE1 3.76Å; F80-F86 HydrophobicContact CE1-CE1 3.76Å; F80-F86 HydrophobicContact CE1-CZ 4.24Å; F80-F86 AromaticContact CE2-CD1 3.31Å; F80-F86 HydrophobicContact CE2-CD1 3.31Å; F80-F86 AromaticContact CE2-CE1 3.46Å; F80-F86 HydrophobicContact CE2-CE1 3.46Å; F80-F86 VanDerWaalsContact CE2-CE1 3.46Å; F80-F86 HydrophobicContact CE2-CG 4.25Å; F80-F86 HydrophobicContact CE2-CZ 4.47Å; F80-F86 HydrophobicContact CG-CE1 4.42Å; F80-F86 AromaticContact CZ-CD1 3.58Å; F80-F86 HydrophobicContact CZ-CD1 3.58Å; F80-F86 AromaticContact CZ-CE1 3.29Å; F80-F86 HydrophobicContact CZ-CE1 3.29Å; F80-F86 HydrophobicContact CZ-CG 4.4Å; F80-F86 AromaticContact CZ-CZ 3.92Å; F80-F86 HydrophobicContact CZ-CZ 3.92Å; F80-Y88 AromaticContact CD1-CD2 3.66Å; F80-Y88 HydrophobicContact CD1-CD2 3.66Å; F80-Y88 HydrophobicContact CD1-CG 4.45Å; F80-Y88 AromaticContact CE1-CD2 3.58Å; F80-Y88 HydrophobicContact CE1-CD2 3.58Å; F80-Y88 HydrophobicContact CE1-CG 4.28Å; F80-Y88 HydrophobicContact CG-CD2 4.39Å; F80-Y88 VanDerWaalsContact CZ-CA 3.44Å; F80-Y88 HydrophobicContact CZ-CD2 4.26Å; F80-Y88 WeakPolarHBondContact O-CB 3.47Å
81	E	95.1	Very high	95.1	Very high	176 Å²	176	76.6 Å²	76.6	82%	0.822	40%	0.4	S	S	*	.			trans	-83.1	126.6	169.7	-65	-165.6	154.6	0	0	110.3
82	G	91.4	Very high	95	Very high	51 Å²	51	80.7 Å²	80.7	53%	0.526	42%	0.416	S	S	.	.			trans	-66	139.7	-176.6	0	0	0	0	0	112.9	F86	G82-F86 CarbonylContact C-O 3.58Å; G82-F86 WeakPolarHBondContact CA-O 3.5Å
83	K	91.6	Very high	94.9	Very high	116 Å²	116	74.9 Å²	74.9	50%	0.504	39%	0.393	S	S	.	.	B	Isolated β-bridge	trans	-149.8	145.3	179.9	-172.2	178.3	179.5	-179.7	0	110.6	I73 N85 F86	I73-K83 HydrophobicContact CD1-CB 3.95Å; I73-K83 HydrophobicContact CG1-CB 4.32Å; K83-N85 VanDerWaalsContact C-N 3.34Å; K83-N85 PolarHBondContact O-N 2.72Å; K83-F86 PolarHBondContact N-O 2.85Å; K83-F86 WeakPolarHBondContact O-CA 3.13Å; K83-F86 VanDerWaalsContact O-CB 3.29Å; K83-F86 WeakPolarHBondContact O-CB 3.18Å; K83-F86 PolarHBondContact O-N 2.85Å
84	N	83.3	Confident	94.8	Very high	111 Å²	111	79 Å²	79	59%	0.594	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	45.4	173	-60.3	-23.4	0	0	0	114.3	T53 F86	T53-N84 WeakPolarHBondContact CG2-O 3.45Å; N84-F86 PolarHBondContact O-N 3.49Å; N84-F86 VanDerWaalsContact O-N 3.14Å
85	N	91.7	Very high	94.8	Very high	132 Å²	132	79.5 Å²	79.5	71%	0.706	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.3	0.1	-174.8	-55	-27	0	0	0	116	K83 T87	K83-N85 VanDerWaalsContact C-N 3.34Å; K83-N85 PolarHBondContact O-N 2.72Å; N85-T87 PolarHBondContact O-N 3.32Å
86	F	96.4	Very high	94.7	Very high	1 Å²	1	78.6 Å²	78.6	0%	0.004	41%	0.414	C	S	.	.	B	Isolated β-bridge	trans	-83.2	97.9	165	-169	-112	0	0	0	108.7	C52 T53 G59 C67 A68 L71 I73 F80 G82 K83 N84	C52-F86 WeakPolarHBondContact O-CD2 3.34Å; T53-F86 HydrophobicContact CG2-CB 4.19Å; G59-F86 VanDerWaalsContact O-CE2 3.31Å; G59-F86 WeakPolarHBondContact O-CE2 3.33Å; C67-F86 HydrophobicContact CB-CE2 3.72Å; C67-F86 HydrophobicContact CB-CZ 3.89Å; A68-F86 HydrophobicContact CB-CE1 3.98Å; A68-F86 HydrophobicContact CB-CZ 4.42Å; L71-F86 HydrophobicContact CD1-CB 3.72Å; L71-F86 HydrophobicContact CD1-CD1 4.21Å; L71-F86 HydrophobicContact CD1-CD2 3.92Å; L71-F86 HydrophobicContact CD1-CG 3.7Å; I73-F86 HydrophobicContact CD1-CB 4.05Å; I73-F86 HydrophobicContact CD1-CD1 3.5Å; I73-F86 VanDerWaalsContact CD1-CD1 3.5Å; I73-F86 HydrophobicContact CD1-CE1 4.36Å; I73-F86 HydrophobicContact CD1-CG 4.15Å; F80-F86 HydrophobicContact CD1-CE1 4.3Å; F80-F86 AromaticContact CD2-CD1 4Å; F80-F86 HydrophobicContact CD2-CD1 4Å; F80-F86 HydrophobicContact CD2-CE1 4.03Å; F80-F86 HydrophobicContact CE1-CD1 4.44Å; F80-F86 AromaticContact CE1-CE1 3.76Å; F80-F86 HydrophobicContact CE1-CE1 3.76Å; F80-F86 HydrophobicContact CE1-CZ 4.24Å; F80-F86 AromaticContact CE2-CD1 3.31Å; F80-F86 HydrophobicContact CE2-CD1 3.31Å; F80-F86 AromaticContact CE2-CE1 3.46Å; F80-F86 HydrophobicContact CE2-CE1 3.46Å; F80-F86 VanDerWaalsContact CE2-CE1 3.46Å; F80-F86 HydrophobicContact CE2-CG 4.25Å; F80-F86 HydrophobicContact CE2-CZ 4.47Å; F80-F86 HydrophobicContact CG-CE1 4.42Å; F80-F86 AromaticContact CZ-CD1 3.58Å; F80-F86 HydrophobicContact CZ-CD1 3.58Å; F80-F86 AromaticContact CZ-CE1 3.29Å; F80-F86 HydrophobicContact CZ-CE1 3.29Å; F80-F86 HydrophobicContact CZ-CG 4.4Å; F80-F86 AromaticContact CZ-CZ 3.92Å; F80-F86 HydrophobicContact CZ-CZ 3.92Å; G82-F86 CarbonylContact C-O 3.58Å; G82-F86 WeakPolarHBondContact CA-O 3.5Å; K83-F86 PolarHBondContact N-O 2.85Å; K83-F86 WeakPolarHBondContact O-CA 3.13Å; K83-F86 VanDerWaalsContact O-CB 3.29Å; K83-F86 WeakPolarHBondContact O-CB 3.18Å; K83-F86 PolarHBondContact O-N 2.85Å; N84-F86 PolarHBondContact O-N 3.49Å; N84-F86 VanDerWaalsContact O-N 3.14Å
87	T	96	Very high	94.6	Very high	37 Å²	37	75.8 Å²	75.8	23%	0.227	40%	0.401	C	S	.	.			trans	-108.9	139.2	-174.3	65.6	0	0	0	0	112	H56 R60 N85 Y89	H56-T87 PolarHBondContact NE2-O 3.33Å; H56-T87 PolarHBondContact NE2-OG1 3.35Å; R60-T87 WeakPolarHBondContact CD-O 3Å; N85-T87 PolarHBondContact O-N 3.32Å; T87-Y89 WeakPolarHBondContact CB-O 3.35Å; T87-Y89 PolarHBondContact OG1-O 3.05Å
88	Y	97.5	Very high	94.7	Very high	6 Å²	6	67.2 Å²	67.2	2%	0.024	36%	0.364	C	S	.	.	S	Bend	trans	-73	-42.3	174.1	-178.8	-96.6	0	0	0	112.2	P28 V29 R60 G78 K79 F80	P28-Y88 HydrophobicContact CB-CE1 3.87Å; P28-Y88 HydrophobicContact CG-CD1 4.49Å; P28-Y88 HydrophobicContact CG-CE1 3.48Å; P28-Y88 VanDerWaalsContact CG-CE1 3.48Å; P28-Y88 PolarHBondContact O-OH 3.39Å; V29-Y88 PolarHBondContact O-OH 3.13Å; R60-Y88 PolarHBondContact NE-O 3.5Å; R60-Y88 PolarHBondContact NH2-O 3.03Å; R60-Y88 VanDerWaalsContact NH2-O 3.15Å; G78-Y88 WeakPolarHBondContact O-CE2 3.45Å; K79-Y88 HydrophobicContact CB-CE2 4.39Å; K79-Y88 HydrophobicContact CG-CE2 4.24Å; F80-Y88 AromaticContact CD1-CD2 3.66Å; F80-Y88 HydrophobicContact CD1-CD2 3.66Å; F80-Y88 HydrophobicContact CD1-CG 4.45Å; F80-Y88 AromaticContact CE1-CD2 3.58Å; F80-Y88 HydrophobicContact CE1-CD2 3.58Å; F80-Y88 HydrophobicContact CE1-CG 4.28Å; F80-Y88 HydrophobicContact CG-CD2 4.39Å; F80-Y88 VanDerWaalsContact CZ-CA 3.44Å; F80-Y88 HydrophobicContact CZ-CD2 4.26Å; F80-Y88 WeakPolarHBondContact O-CB 3.47Å
89	Y	96.3	Very high	94.6	Very high	60 Å²	60	67.3 Å²	67.3	24%	0.235	36%	0.363	C	S	.	.	S	Bend	trans	-93.2	166.8	176.9	-60.8	-82.1	0	0	0	111.2	P28 T87 K143	P28-Y89 HydrophobicContact CG-CD1 4.3Å; P28-Y89 HydrophobicContact CG-CE1 3.86Å; T87-Y89 WeakPolarHBondContact CB-O 3.35Å; T87-Y89 PolarHBondContact OG1-O 3.05Å; Y89-K143 HydrophobicContact CD2-CB 4.04Å; Y89-K143 HydrophobicContact CE2-CB 3.82Å; Y89-K143 HydrophobicContact CE2-CG 4.12Å
90	H	95.6	Very high	94.5	Very high	26 Å²	26	65.8 Å²	65.8	12%	0.12	36%	0.363	C	S	.	.			trans	-56.7	132	172.5	-171.1	-89.1	0	0	0	111.2	K92 C93 P96 T97 Y135	H90-K92 PolarHBondContact ND1-N 3.15Å; H90-K92 VanDerWaalsContact ND1-N 3.14Å; H90-K92 PolarHBondContact O-N 2.7Å; H90-C93 WeakPolarHBondContact O-CB 3.43Å; H90-C93 PolarHBondContact O-N 3.13Å; H90-C93 PolarHBondContact O-SG 2.93Å; H90-P96 HydrophobicContact CB-CB 4.08Å; H90-T97 PolarHBondContact NE2-O 3.07Å; H90-Y135 HydrophobicContact CB-CD1 3.74Å; H90-Y135 HydrophobicContact CB-CD2 3.82Å; H90-Y135 HydrophobicContact CB-CE1 3.59Å; H90-Y135 HydrophobicContact CB-CE2 3.67Å; H90-Y135 HydrophobicContact CB-CG 3.86Å; H90-Y135 AromaticContact CD2-CG 3.93Å
91	P	92.2	Very high	94.1	Very high	88 Å²	88	67.8 Å²	67.8	57%	0.571	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-24	-175.2	-27.6	35	0	0	0	115.4
92	K	93.7	Very high	93.6	Very high	117 Å²	117	64.8 Å²	64.8	51%	0.509	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	7.2	178.1	-54.5	-177.5	-172.5	165.6	0	114.6	H90 N95 T97	H90-K92 PolarHBondContact ND1-N 3.15Å; H90-K92 VanDerWaalsContact ND1-N 3.14Å; H90-K92 PolarHBondContact O-N 2.7Å; K92-N95 CarbonylContact O-C 3.08Å; K92-N95 WeakPolarHBondContact O-CA 3.42Å; K92-N95 PolarHBondContact O-N 3.4Å; K92-T97 HydrophobicContact CD-CG2 3.99Å; K92-T97 PolarHBondContact NZ-OG1 2.82Å; K92-T97 VanDerWaalsContact NZ-OG1 3.13Å
93	C	94.7	Very high	93.3	Very high	38 Å²	38	68 Å²	68	26%	0.257	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	142.1	171.8	-83.4	0	0	0	0	111.1	H90 C142	H90-C93 WeakPolarHBondContact O-CB 3.43Å; H90-C93 PolarHBondContact O-N 3.13Å; H90-C93 PolarHBondContact O-SG 2.93Å; C93-C142 VanDerWaalsContact CA-SG 3.56Å; C93-C142 HydrophobicContact CB-CB 3.7Å; C93-C142 WeakPolarHBondContact CB-SG 3.23Å; C93-C142 VanDerWaalsContact SG-CA 3.58Å; C93-C142 WeakPolarHBondContact SG-CB 3.46Å; C93-C142 CovalentContact SG-SG 2.04Å; C93-C142 PolarHBondContact SG-SG 2.89Å
94	P	94.7	Very high	93.1	Very high	106 Å²	106	66.8 Å²	66.8	69%	0.688	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	cis	-82.5	0.2	9	34.6	-37.4	0	0	0	115.2	P96	P94-P96 WeakPolarHBondContact O-CD 3.33Å
95	N	95.9	Very high	93.5	Very high	129 Å²	129	63.7 Å²	63.7	69%	0.69	40%	0.403	S	S	*	.	S	Bend	trans	-111.4	69	-179	-62.2	-55.6	0	0	0	110.7	K92	K92-N95 CarbonylContact O-C 3.08Å; K92-N95 WeakPolarHBondContact O-CA 3.42Å; K92-N95 PolarHBondContact O-N 3.4Å
96	P	96.1	Very high	93.6	Very high	24 Å²	24	62.8 Å²	62.8	16%	0.156	40%	0.395	C	S	.	.			trans	-63.2	157.9	-178.7	30.4	-36	0	0	0	111.6	H90 P94 Y135	H90-P96 HydrophobicContact CB-CB 4.08Å; P94-P96 WeakPolarHBondContact O-CD 3.33Å; P96-Y135 HydrophobicContact CB-CD1 3.45Å; P96-Y135 VanDerWaalsContact CB-CD1 3.45Å; P96-Y135 HydrophobicContact CB-CE1 3.94Å; P96-Y135 HydrophobicContact CB-CG 4.36Å; P96-Y135 HydrophobicContact CG-CD1 3.88Å; P96-Y135 HydrophobicContact CG-CE1 4.18Å
97	T	96.7	Very high	93.5	Very high	47 Å²	47	64.8 Å²	64.8	29%	0.288	41%	0.409	S	S	.	.			trans	-119.6	159.8	171.3	60.2	0	0	0	0	108.3	H90 K92	H90-T97 PolarHBondContact NE2-O 3.07Å; K92-T97 HydrophobicContact CD-CG2 3.99Å; K92-T97 PolarHBondContact NZ-OG1 2.82Å; K92-T97 VanDerWaalsContact NZ-OG1 3.13Å
98	D	97.4	Very high	93.5	Very high	2 Å²	2	65.5 Å²	65.5	1%	0.011	41%	0.407	C	S	.	.			trans	-65.8	159.4	158.2	-65.8	-27.5	0	0	0	108.7	E109 R133 C134 Y135 K136 T137	D98-E109 HydrophobicContact CB-CB 4.36Å; D98-E109 WeakPolarHBondContact OD2-CA 3.46Å; D98-E109 WeakPolarHBondContact OD2-CB 3.05Å; D98-R133 CarbonylContact C-O 3.49Å; D98-R133 WeakPolarHBondContact CA-O 3.49Å; D98-R133 WeakPolarHBondContact CB-O 3.25Å; D98-C134 WeakPolarHBondContact OD1-CA 3.41Å; D98-Y135 PolarHBondContact OD1-N 3.35Å; D98-K136 WeakPolarHBondContact OD1-CA 3.46Å; D98-K136 WeakPolarHBondContact OD1-CB 3.35Å; D98-K136 PolarHBondContact OD1-N 2.96Å; D98-T137 PolarHBondContact OD1-N 2.9Å; D98-T137 WeakPolarHBondContact OD2-CB 3.13Å; D98-T137 PolarHBondContact OD2-OG1 2.96Å
99	A	96.3	Very high	93.5	Very high	14 Å²	14	67.5 Å²	67.5	12%	0.116	42%	0.417	C	S	.	.			trans	-62	157.9	177.9	0	0	0	0	0	110.2	W108 R133	A99-W108 HydrophobicContact CB-CG 4.39Å; A99-W108 WeakPolarHBondContact O-CB 3.36Å; A99-W108 VanDerWaalsContact O-CD1 3.28Å; A99-W108 PolarHBondContact O-N 3.34Å; A99-R133 PolarHBondContact N-O 3.42Å
100	T	95.6	Very high	93.4	Very high	83 Å²	83	68.7 Å²	68.7	51%	0.509	43%	0.434	S	S	.	.	B	Isolated β-bridge	trans	-110.8	144.5	167.6	53.4	0	0	0	0	109.2	E106	T100-E106 CarbonylContact C-O 3.6Å; T100-E106 VanDerWaalsContact CA-O 3.23Å; T100-E106 WeakPolarHBondContact CA-O 3.48Å
101	M	88.3	Confident	93.4	Very high	59 Å²	59	71 Å²	71	29%	0.291	44%	0.442	S	S	.	.			trans	-60.4	140.6	174.5	-61.1	-171.1	-148.4	0	0	110.2	T103 G105 E106 W108	M101-T103 WeakPolarHBondContact CB-O 3.44Å; M101-T103 PolarHBondContact O-N 3.38Å; M101-G105 WeakPolarHBondContact O-CA 3.23Å; M101-G105 PolarHBondContact O-N 3.39Å; M101-E106 HydrophobicContact CE-CB 4.06Å; M101-E106 HydrophobicContact CE-CG 4.03Å; M101-E106 VanDerWaalsContact CE-OE2 3.3Å; M101-E106 WeakPolarHBondContact CE-OE2 3.45Å; M101-E106 PolarHBondContact N-O 3.46Å; M101-E106 HydrophobicContact SD-CB 4.38Å; M101-W108 HydrophobicContact CG-CZ2 4.42Å
102	A	84.5	Confident	93.6	Very high	113 Å²	113	66.9 Å²	66.9	93%	0.934	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-37.4	178.1	0	0	0	0	0	111.6
103	T	85.7	Confident	93.7	Very high	119 Å²	119	67.6 Å²	67.6	73%	0.73	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	127.7	174.3	47.2	0	0	0	0	110.3	M101 G105	M101-T103 WeakPolarHBondContact CB-O 3.44Å; M101-T103 PolarHBondContact O-N 3.38Å; T103-G105 PolarHBondContact O-N 3.26Å; T103-G105 VanDerWaalsContact O-N 3.15Å
104	G	87.7	Confident	93.6	Very high	91 Å²	91	72.3 Å²	72.3	94%	0.938	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.2	-14.8	174.9	0	0	0	0	0	115.6	E106	G104-E106 PolarHBondContact O-N 3.26Å
105	G	90.7	Very high	93.4	Very high	45 Å²	45	73.9 Å²	73.9	46%	0.464	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.4	10.7	173.9	0	0	0	0	0	115	M101 T103	M101-G105 WeakPolarHBondContact O-CA 3.23Å; M101-G105 PolarHBondContact O-N 3.39Å; T103-G105 PolarHBondContact O-N 3.26Å; T103-G105 VanDerWaalsContact O-N 3.15Å
106	E	93.5	Very high	93.3	Very high	114 Å²	114	69 Å²	69	53%	0.533	40%	0.402	S	S	.	.			trans	-62	139.3	177.8	-175.1	179.4	-171.3	0	0	111.1	T100 M101 G104	T100-E106 CarbonylContact C-O 3.6Å; T100-E106 VanDerWaalsContact CA-O 3.23Å; T100-E106 WeakPolarHBondContact CA-O 3.48Å; M101-E106 HydrophobicContact CE-CB 4.06Å; M101-E106 HydrophobicContact CE-CG 4.03Å; M101-E106 VanDerWaalsContact CE-OE2 3.3Å; M101-E106 WeakPolarHBondContact CE-OE2 3.45Å; M101-E106 PolarHBondContact N-O 3.46Å; M101-E106 HydrophobicContact SD-CB 4.38Å; G104-E106 PolarHBondContact O-N 3.26Å
107	S	94.8	Very high	93	Very high	43 Å²	43	70.9 Å²	70.9	30%	0.301	41%	0.413	S	S	.	.	B	Isolated β-bridge	trans	-71.9	139.9	176.1	-178.1	0	0	0	0	111.8	E109	S107-E109 PolarHBondContact O-N 2.84Å; S107-E109 VanDerWaalsContact OG-CB 3.25Å; S107-E109 WeakPolarHBondContact OG-CB 3.46Å; S107-E109 PolarHBondContact OG-N 3.48Å; S107-E109 VanDerWaalsContact OG-N 3.09Å
108	W	95.8	Very high	92.4	Very high	51 Å²	51	78 Å²	78	19%	0.193	44%	0.443	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-8.2	168.7	-78	87	0	0	0	113.2	A99 M101 S110 W111 C112 R133	A99-W108 HydrophobicContact CB-CG 4.39Å; A99-W108 WeakPolarHBondContact O-CB 3.36Å; A99-W108 VanDerWaalsContact O-CD1 3.28Å; A99-W108 PolarHBondContact O-N 3.34Å; M101-W108 HydrophobicContact CG-CZ2 4.42Å; W108-S110 VanDerWaalsContact C-N 3.29Å; W108-S110 PolarHBondContact O-N 3.16Å; W108-S110 VanDerWaalsContact O-N 3.16Å; W108-W111 HydrophobicContact CE3-CB 3.96Å; W108-W111 AromaticContact CE3-CD2 3.73Å; W108-W111 HydrophobicContact CE3-CD2 3.73Å; W108-W111 AromaticContact CE3-CE3 3.81Å; W108-W111 HydrophobicContact CE3-CE3 3.81Å; W108-W111 AromaticContact CE3-CG 3.8Å; W108-W111 HydrophobicContact CE3-CG 3.8Å; W108-W111 HydrophobicContact CZ3-CB 4.46Å; W108-W111 AromaticContact CZ3-CD2 3.81Å; W108-W111 HydrophobicContact CZ3-CD2 3.81Å; W108-W111 HydrophobicContact CZ3-CE3 4.2Å; W108-W111 AromaticContact CZ3-CG 3.91Å; W108-W111 HydrophobicContact CZ3-CG 3.91Å; W108-W111 CarbonylContact O-C 3.58Å; W108-W111 WeakPolarHBondContact O-CA 3.3Å; W108-W111 WeakPolarHBondContact O-CB 3.23Å; W108-W111 PolarHBondContact O-N 3.09Å; W108-C112 PolarHBondContact O-N 2.9Å; W108-C112 PolarHBondContact O-SG 3.04Å; W108-R133 HydrophobicContact CD2-CG 4.35Å; W108-R133 HydrophobicContact CG-CB 4.44Å
109	E	96.6	Very high	91.9	Very high	49 Å²	49	86.3 Å²	86.3	23%	0.229	48%	0.482	C	S	.	.	H	α-helix	trans	-50.9	-43	-174.4	-177.1	173.2	151.1	0	0	113.6	D98 S107 W111 C112 K113 K136	D98-E109 HydrophobicContact CB-CB 4.36Å; D98-E109 WeakPolarHBondContact OD2-CA 3.46Å; D98-E109 WeakPolarHBondContact OD2-CB 3.05Å; S107-E109 PolarHBondContact O-N 2.84Å; S107-E109 VanDerWaalsContact OG-CB 3.25Å; S107-E109 WeakPolarHBondContact OG-CB 3.46Å; S107-E109 PolarHBondContact OG-N 3.48Å; S107-E109 VanDerWaalsContact OG-N 3.09Å; E109-W111 PolarHBondContact O-N 3.16Å; E109-C112 PolarHBondContact O-N 3.32Å; E109-K113 HydrophobicContact CG-CD 4.12Å; E109-K113 WeakPolarHBondContact O-CB 3.37Å; E109-K113 WeakPolarHBondContact O-CG 3.46Å; E109-K113 PolarHBondContact O-N 2.98Å; E109-K113 WeakPolarHBondContact OE1-CE 3.11Å; E109-K113 IonicContact OE1-NZ 2.86Å; E109-K113 PolarHBondContact OE1-NZ 3.36Å; E109-K136 IonicContact OE1-NZ 3.81Å; E109-K136 IonicContact OE2-NZ 2.66Å; E109-K136 PolarHBondContact OE2-NZ 2.83Å
110	S	95.9	Very high	91.5	Very high	84 Å²	84	90.7 Å²	90.7	59%	0.587	50%	0.5	S	S	*	.	H	α-helix	trans	-63	-42.6	178.3	-58.9	0	0	0	0	112.1	W108 Q114	W108-S110 VanDerWaalsContact C-N 3.29Å; W108-S110 PolarHBondContact O-N 3.16Å; W108-S110 VanDerWaalsContact O-N 3.16Å; S110-Q114 PolarHBondContact O-N 3.3Å
111	W	95.1	Very high	91.2	Very high	76 Å²	76	87.1 Å²	87.1	29%	0.288	48%	0.48	S	S	.	.	H	α-helix	trans	-66.1	-45	174.9	-178.4	92.3	0	0	0	110.5	W108 E109 K113 Q114 W115 I130	W108-W111 HydrophobicContact CE3-CB 3.96Å; W108-W111 AromaticContact CE3-CD2 3.73Å; W108-W111 HydrophobicContact CE3-CD2 3.73Å; W108-W111 AromaticContact CE3-CE3 3.81Å; W108-W111 HydrophobicContact CE3-CE3 3.81Å; W108-W111 AromaticContact CE3-CG 3.8Å; W108-W111 HydrophobicContact CE3-CG 3.8Å; W108-W111 HydrophobicContact CZ3-CB 4.46Å; W108-W111 AromaticContact CZ3-CD2 3.81Å; W108-W111 HydrophobicContact CZ3-CD2 3.81Å; W108-W111 HydrophobicContact CZ3-CE3 4.2Å; W108-W111 AromaticContact CZ3-CG 3.91Å; W108-W111 HydrophobicContact CZ3-CG 3.91Å; W108-W111 CarbonylContact O-C 3.58Å; W108-W111 WeakPolarHBondContact O-CA 3.3Å; W108-W111 WeakPolarHBondContact O-CB 3.23Å; W108-W111 PolarHBondContact O-N 3.09Å; E109-W111 PolarHBondContact O-N 3.16Å; W111-K113 VanDerWaalsContact C-N 3.32Å; W111-K113 PolarHBondContact O-N 3.24Å; W111-Q114 WeakPolarHBondContact O-CB 3.46Å; W111-Q114 PolarHBondContact O-N 2.82Å; W111-W115 AromaticContact CD1-CD1 3.65Å; W111-W115 AromaticContact CD1-NE1 3.54Å; W111-W115 AromaticContact CD2-CD1 3.59Å; W111-W115 AromaticContact CE2-CD1 3.25Å; W111-W115 AromaticContact CE2-NE1 3.57Å; W111-W115 AromaticContact CG-CD1 3.82Å; W111-W115 AromaticContact CZ2-CD1 3.68Å; W111-W115 HydrophobicContact CZ2-CG 4.11Å; W111-W115 AromaticContact NE1-CD1 3.32Å; W111-W115 VanDerWaalsContact NE1-CD1 3.32Å; W111-W115 AromaticContact NE1-NE1 3.13Å; W111-W115 VanDerWaalsContact NE1-NE1 3.13Å; W111-W115 PolarHBondContact O-N 3.13Å; W111-W115 VanDerWaalsContact O-N 3.16Å; W111-I130 HydrophobicContact CH2-CD1 3.86Å; W111-I130 HydrophobicContact CZ3-CD1 4.08Å
112	C	97	Very high	91.1	Very high	0 Å²	0	87.9 Å²	87.9	0%	0	49%	0.489	C	S	.	.	H	α-helix	trans	-56.9	-45.6	178.1	-65.4	0	0	0	0	111.7	W108 E109 Q114 W115 I116 C134 T137	W108-C112 PolarHBondContact O-N 2.9Å; W108-C112 PolarHBondContact O-SG 3.04Å; E109-C112 PolarHBondContact O-N 3.32Å; C112-Q114 VanDerWaalsContact C-N 3.27Å; C112-Q114 PolarHBondContact O-N 2.03Å; C112-W115 PolarHBondContact O-N 3.24Å; C112-I116 HydrophobicContact CB-CD1 4.1Å; C112-I116 VanDerWaalsContact O-CB 3.25Å; C112-I116 WeakPolarHBondContact O-CB 3.4Å; C112-I116 WeakPolarHBondContact O-CG1 3.4Å; C112-I116 PolarHBondContact O-N 2.9Å; C112-C134 VanDerWaalsContact CA-SG 3.58Å; C112-C134 HydrophobicContact CB-CB 3.66Å; C112-C134 WeakPolarHBondContact CB-SG 3.42Å; C112-C134 WeakPolarHBondContact SG-CA 3.47Å; C112-C134 WeakPolarHBondContact SG-CB 3.47Å; C112-C134 CovalentContact SG-SG 2.03Å; C112-C134 PolarHBondContact SG-SG 2.94Å; C112-T137 HydrophobicContact CB-CG2 3.83Å
113	K	95	Very high	91.5	Very high	132 Å²	132	87.4 Å²	87.4	57%	0.574	48%	0.475	S	S	*	.	H	α-helix	trans	-65.4	-27.2	176.6	-75	171.5	169.9	171.8	0	113.9	E109 W111 T137	E109-K113 HydrophobicContact CG-CD 4.12Å; E109-K113 WeakPolarHBondContact O-CB 3.37Å; E109-K113 WeakPolarHBondContact O-CG 3.46Å; E109-K113 PolarHBondContact O-N 2.98Å; E109-K113 WeakPolarHBondContact OE1-CE 3.11Å; E109-K113 IonicContact OE1-NZ 2.86Å; E109-K113 PolarHBondContact OE1-NZ 3.36Å; W111-K113 VanDerWaalsContact C-N 3.32Å; W111-K113 PolarHBondContact O-N 3.24Å; K113-T137 HydrophobicContact CG-CG2 4.45Å
114	Q	93.2	Very high	91.9	Very high	138 Å²	138	83.4 Å²	83.4	65%	0.645	45%	0.449	S	S	*	.	H	α-helix	trans	-73.8	-36.3	177.2	-176.6	179.5	4.1	0	0	112.2	S110 W111 C112	S110-Q114 PolarHBondContact O-N 3.3Å; W111-Q114 WeakPolarHBondContact O-CB 3.46Å; W111-Q114 PolarHBondContact O-N 2.82Å; C112-Q114 VanDerWaalsContact C-N 3.27Å; C112-Q114 PolarHBondContact O-N 2.03Å
115	W	90.2	Very high	92.3	Very high	138 Å²	138	79.3 Å²	79.3	52%	0.523	41%	0.405	S	S	.	.	H	α-helix	trans	-103.3	-17.4	-171.9	-67.6	100.7	0	0	0	114.5	W111 C112	W111-W115 AromaticContact CD1-CD1 3.65Å; W111-W115 AromaticContact CD1-NE1 3.54Å; W111-W115 AromaticContact CD2-CD1 3.59Å; W111-W115 AromaticContact CE2-CD1 3.25Å; W111-W115 AromaticContact CE2-NE1 3.57Å; W111-W115 AromaticContact CG-CD1 3.82Å; W111-W115 AromaticContact CZ2-CD1 3.68Å; W111-W115 HydrophobicContact CZ2-CG 4.11Å; W111-W115 AromaticContact NE1-CD1 3.32Å; W111-W115 VanDerWaalsContact NE1-CD1 3.32Å; W111-W115 AromaticContact NE1-NE1 3.13Å; W111-W115 VanDerWaalsContact NE1-NE1 3.13Å; W111-W115 PolarHBondContact O-N 3.13Å; W111-W115 VanDerWaalsContact O-N 3.16Å; C112-W115 PolarHBondContact O-N 3.24Å
116	I	93.5	Very high	92.5	Very high	26 Å²	26	82.8 Å²	82.8	13%	0.133	41%	0.41	C	S	.	.			trans	-101.8	93.6	178.3	-60.6	163	0	0	0	107.8	C112 I124 I130 C134 T137 C138	C112-I116 HydrophobicContact CB-CD1 4.1Å; C112-I116 VanDerWaalsContact O-CB 3.25Å; C112-I116 WeakPolarHBondContact O-CB 3.4Å; C112-I116 WeakPolarHBondContact O-CG1 3.4Å; C112-I116 PolarHBondContact O-N 2.9Å; I116-I124 HydrophobicContact CG1-CG2 4.24Å; I116-I130 HydrophobicContact CD1-CG2 3.97Å; I116-I130 HydrophobicContact CG1-CG2 4.42Å; I116-C134 HydrophobicContact CD1-CB 3.5Å; I116-T137 HydrophobicContact CB-CG2 4.32Å; I116-T137 HydrophobicContact CD1-CG2 3.78Å; I116-C138 VanDerWaalsContact CD1-SG 3.51Å
117	T	88.9	Confident	92.6	Very high	64 Å²	64	82.1 Å²	82.1	39%	0.393	41%	0.408	S	S	.	.			trans	-83.7	166.2	174.1	65.8	0	0	0	0	110.9	E119 E120 G121	T117-E119 VanDerWaalsContact C-N 3.25Å; T117-E119 PolarHBondContact O-N 3.28Å; T117-E120 WeakPolarHBondContact OG1-CB 3.43Å; T117-E120 PolarHBondContact OG1-N 2.82Å; T117-E120 VanDerWaalsContact OG1-N 3.09Å; T117-G121 WeakPolarHBondContact O-CA 3.35Å; T117-G121 PolarHBondContact O-N 3.22Å
118	E	84.5	Confident	92.7	Very high	196 Å²	196	81.6 Å²	81.6	92%	0.916	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-34.9	174.4	-65.8	-175.1	169.3	0	0	112.1	P122	E118-P122 WeakPolarHBondContact O-CD 3.25Å
119	E	88.1	Confident	92.7	Very high	177 Å²	177	82.2 Å²	82.2	83%	0.827	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-50.1	-178.1	-176.4	175.7	-178.9	0	0	112.4	T117	T117-E119 VanDerWaalsContact C-N 3.25Å; T117-E119 PolarHBondContact O-N 3.28Å
120	E	87.7	Confident	92.8	Very high	107 Å²	107	80.5 Å²	80.5	50%	0.5	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-19.3	-174.7	-58.7	-176.5	143.5	0	0	112.8	T117 P122 T123 I124	T117-E120 WeakPolarHBondContact OG1-CB 3.43Å; T117-E120 PolarHBondContact OG1-N 2.82Å; T117-E120 VanDerWaalsContact OG1-N 3.09Å; E120-P122 VanDerWaalsContact C-CD 3.48Å; E120-T123 PolarHBondContact O-N 3.35Å; E120-I124 HydrophobicContact CB-CD1 3.52Å; E120-I124 HydrophobicContact CB-CG1 4.08Å; E120-I124 WeakPolarHBondContact O-CG1 3.37Å; E120-I124 PolarHBondContact O-N 3.05Å
121	G	88.1	Confident	92.8	Very high	7 Å²	7	76.5 Å²	76.5	7%	0.072	37%	0.374	C	S	.	.	H	α-helix	trans	-51	-45.5	-176.1	0	0	0	0	0	114.4	T117 T123 I124 C125	T117-G121 WeakPolarHBondContact O-CA 3.35Å; T117-G121 PolarHBondContact O-N 3.22Å; G121-T123 PolarHBondContact O-N 3.14Å; G121-T123 VanDerWaalsContact O-N 3.15Å; G121-I124 PolarHBondContact O-N 2.99Å; G121-C125 WeakPolarHBondContact O-CB 2.98Å; G121-C125 PolarHBondContact O-N 2.04Å; G121-C125 PolarHBondContact O-SG 3.11Å; G121-C125 VanDerWaalsContact O-SG 3.34Å
122	P	87.2	Confident	92.9	Very high	75 Å²	75	76.3 Å²	76.3	49%	0.487	37%	0.374	S	S	.	.	H	α-helix	trans	-56.4	-31.7	177.6	-27.6	36.1	0	0	0	114.2	E118 E120 Q126	E118-P122 WeakPolarHBondContact O-CD 3.25Å; E120-P122 VanDerWaalsContact C-CD 3.48Å; P122-Q126 WeakPolarHBondContact O-CG 3.43Å; P122-Q126 PolarHBondContact O-NE2 2.88Å
123	T	91.8	Very high	92.9	Very high	104 Å²	104	79.5 Å²	79.5	64%	0.638	39%	0.386	S	S	*	.	H	α-helix	trans	-89.2	-48	178.8	-56.7	0	0	0	0	111	E120 G121 C125 Q126	E120-T123 PolarHBondContact O-N 3.35Å; G121-T123 PolarHBondContact O-N 3.14Å; G121-T123 VanDerWaalsContact O-N 3.15Å; T123-C125 VanDerWaalsContact C-N 3.29Å; T123-C125 PolarHBondContact O-N 3.34Å; T123-Q126 WeakPolarHBondContact O-CB 3.17Å; T123-Q126 PolarHBondContact O-N 3.46Å; T123-Q126 VanDerWaalsContact O-N 3.07Å
124	I	94.8	Very high	93	Very high	35 Å²	35	73.2 Å²	73.2	18%	0.179	36%	0.359	C	S	.	.	H	α-helix	trans	-61.5	-39.2	-178.3	-69.1	179.2	0	0	0	110.8	I116 E120 G121 Q126 M127 I130	I116-I124 HydrophobicContact CG1-CG2 4.24Å; E120-I124 HydrophobicContact CB-CD1 3.52Å; E120-I124 HydrophobicContact CB-CG1 4.08Å; E120-I124 WeakPolarHBondContact O-CG1 3.37Å; E120-I124 PolarHBondContact O-N 3.05Å; G121-I124 PolarHBondContact O-N 2.99Å; I124-Q126 PolarHBondContact O-N 3.49Å; I124-Q126 VanDerWaalsContact O-N 3.13Å; I124-M127 WeakPolarHBondContact O-CB 3.37Å; I124-M127 WeakPolarHBondContact O-CG 3.49Å; I124-M127 PolarHBondContact O-N 3.09Å; I124-I130 HydrophobicContact CG2-CB 4.42Å; I124-I130 HydrophobicContact CG2-CD1 4.01Å; I124-I130 HydrophobicContact CG2-CG1 3.77Å; I124-I130 HydrophobicContact CG2-CG2 4.02Å; I124-I130 WeakPolarHBondContact O-CB 2.97Å; I124-I130 WeakPolarHBondContact O-CG1 3.27Å
125	C	96.4	Very high	93.2	Very high	4 Å²	4	66.7 Å²	66.7	3%	0.027	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-4	178.4	-72.8	0	0	0	0	114.7	V26 G121 T123 Q131 C138	V26-C125 HydrophobicContact CG1-CB 4.13Å; V26-C125 HydrophobicContact CG2-CB 4.17Å; G121-C125 WeakPolarHBondContact O-CB 2.98Å; G121-C125 PolarHBondContact O-N 2.04Å; G121-C125 PolarHBondContact O-SG 3.11Å; G121-C125 VanDerWaalsContact O-SG 3.34Å; T123-C125 VanDerWaalsContact C-N 3.29Å; T123-C125 PolarHBondContact O-N 3.34Å; C125-Q131 WeakPolarHBondContact O-CG 3.39Å; C125-Q131 PolarHBondContact O-NE2 2.91Å; C125-C138 WeakPolarHBondContact CA-SG 3.02Å; C125-C138 HydrophobicContact CB-CB 3.57Å; C125-C138 WeakPolarHBondContact CB-SG 3.44Å; C125-C138 WeakPolarHBondContact SG-CA 3.36Å; C125-C138 WeakPolarHBondContact SG-CB 3.22Å; C125-C138 CovalentContact SG-SG 2.04Å; C125-C138 PolarHBondContact SG-SG 2.79Å
126	Q	95.1	Very high	93.5	Very high	119 Å²	119	64.7 Å²	64.7	56%	0.556	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-2.4	170.8	-62.5	176.1	30.1	0	0	112.4	V29 P122 T123 I124	V29-Q126 WeakPolarHBondContact CG1-O 3.37Å; P122-Q126 WeakPolarHBondContact O-CG 3.43Å; P122-Q126 PolarHBondContact O-NE2 2.88Å; T123-Q126 WeakPolarHBondContact O-CB 3.17Å; T123-Q126 PolarHBondContact O-N 3.46Å; T123-Q126 VanDerWaalsContact O-N 3.07Å; I124-Q126 PolarHBondContact O-N 3.49Å; I124-Q126 VanDerWaalsContact O-N 3.13Å
127	M	95.9	Very high	93.6	Very high	100 Å²	100	64.5 Å²	64.5	49%	0.493	32%	0.323	S	S	.	.	S	Bend	trans	-82.2	133.4	177.7	-63.3	176.8	64.6	0	0	111.2	I124 L129 I130 Q131	I124-M127 WeakPolarHBondContact O-CB 3.37Å; I124-M127 WeakPolarHBondContact O-CG 3.49Å; I124-M127 PolarHBondContact O-N 3.09Å; M127-L129 PolarHBondContact O-N 2.04Å; M127-I130 HydrophobicContact CB-CB 4.1Å; M127-I130 HydrophobicContact CB-CG1 3.79Å; M127-I130 PolarHBondContact O-N 2.99Å; M127-I130 HydrophobicContact SD-CG1 4.27Å; M127-Q131 PolarHBondContact O-N 2.79Å
128	P	97.1	Very high	93.9	Very high	32 Å²	32	61.6 Å²	61.6	21%	0.208	31%	0.306	C	S	.	.	H	α-helix	trans	-56.6	-43.1	-178.9	-32.2	40.2	0	0	0	114.6	V29 T34 Y61 I130 Q131 Y132	V29-P128 HydrophobicContact CB-CG 4.49Å; V29-P128 HydrophobicContact CG1-CG 4.28Å; V29-P128 HydrophobicContact CG2-CB 4.43Å; V29-P128 HydrophobicContact CG2-CG 4.38Å; T34-P128 HydrophobicContact CG2-CB 4.14Å; T34-P128 HydrophobicContact CG2-CG 3.73Å; Y61-P128 HydrophobicContact CD1-CB 4.02Å; Y61-P128 VanDerWaalsContact CD1-O 3.23Å; Y61-P128 WeakPolarHBondContact CD1-O 2.97Å; P128-I130 VanDerWaalsContact C-N 3.3Å; P128-I130 PolarHBondContact O-N 3.15Å; P128-Q131 PolarHBondContact O-N 3.04Å; P128-Y132 WeakPolarHBondContact O-CB 3.49Å; P128-Y132 PolarHBondContact O-N 2.86Å
129	L	95.8	Very high	94.4	Very high	64 Å²	64	54.7 Å²	54.7	34%	0.335	28%	0.275	S	S	.	.	H	α-helix	trans	-60.8	-40.2	175.4	176.8	63.6	0	0	0	112.3	F57 M127 R133	F57-L129 HydrophobicContact CE1-CD1 4.16Å; F57-L129 HydrophobicContact CE2-CB 4.34Å; F57-L129 HydrophobicContact CE2-CD1 3.89Å; F57-L129 HydrophobicContact CZ-CB 4.26Å; F57-L129 HydrophobicContact CZ-CD1 3.52Å; F57-L129 HydrophobicContact CZ-CG 4.49Å; M127-L129 PolarHBondContact O-N 2.04Å; L129-R133 HydrophobicContact CD1-CG 4.46Å; L129-R133 PolarHBondContact O-N 2.91Å; L129-R133 VanDerWaalsContact O-N 3.13Å
130	I	97.2	Very high	94.8	Very high	12 Å²	12	46.5 Å²	46.5	6%	0.062	24%	0.237	C	C	.	.	H	α-helix	trans	-69.6	-46.3	179.9	-60.2	-63.5	0	0	0	109.8	W111 I116 I124 M127 P128 Y132 R133 C134 C138	W111-I130 HydrophobicContact CH2-CD1 3.86Å; W111-I130 HydrophobicContact CZ3-CD1 4.08Å; I116-I130 HydrophobicContact CD1-CG2 3.97Å; I116-I130 HydrophobicContact CG1-CG2 4.42Å; I124-I130 HydrophobicContact CG2-CB 4.42Å; I124-I130 HydrophobicContact CG2-CD1 4.01Å; I124-I130 HydrophobicContact CG2-CG1 3.77Å; I124-I130 HydrophobicContact CG2-CG2 4.02Å; I124-I130 WeakPolarHBondContact O-CB 2.97Å; I124-I130 WeakPolarHBondContact O-CG1 3.27Å; M127-I130 HydrophobicContact CB-CB 4.1Å; M127-I130 HydrophobicContact CB-CG1 3.79Å; M127-I130 PolarHBondContact O-N 2.99Å; M127-I130 HydrophobicContact SD-CG1 4.27Å; P128-I130 VanDerWaalsContact C-N 3.3Å; P128-I130 PolarHBondContact O-N 3.15Å; I130-Y132 VanDerWaalsContact C-N 3.28Å; I130-Y132 PolarHBondContact O-N 2.59Å; I130-R133 PolarHBondContact O-N 2.87Å; I130-C134 HydrophobicContact CG2-CB 4.1Å; I130-C134 WeakPolarHBondContact O-CA 3.39Å; I130-C134 VanDerWaalsContact O-CB 3.23Å; I130-C134 WeakPolarHBondContact O-CB 3.09Å; I130-C134 PolarHBondContact O-N 2.84Å; I130-C138 VanDerWaalsContact CG2-SG 3.58Å
131	Q	97.1	Very high	95.2	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-63.7	-34.4	177	-70.6	-159.2	1.5	0	0	112.9	P27 V29 Y61 C125 M127 P128 Y135 V140	P27-Q131 PolarHBondContact O-NE2 3.2Å; V29-Q131 HydrophobicContact CG1-CG 4.07Å; Y61-Q131 HydrophobicContact CE1-CB 3.85Å; C125-Q131 WeakPolarHBondContact O-CG 3.39Å; C125-Q131 PolarHBondContact O-NE2 2.91Å; M127-Q131 PolarHBondContact O-N 2.79Å; P128-Q131 PolarHBondContact O-N 3.04Å; Q131-Y135 WeakPolarHBondContact O-CA 3.4Å; Q131-Y135 WeakPolarHBondContact O-CB 3.06Å; Q131-Y135 WeakPolarHBondContact O-CD2 3.45Å; Q131-Y135 PolarHBondContact O-N 3.45Å; Q131-V140 HydrophobicContact CB-CG2 4.43Å; Q131-V140 HydrophobicContact CG-CG2 3.85Å
132	Y	96.9	Very high	95.5	Very high	72 Å²	72	43.5 Å²	43.5	28%	0.282	23%	0.228	S	C	.	.	H	α-helix	trans	-60.6	-46.4	173.1	171.3	-111.1	0	0	0	112.2	F57 Y61 P128 I130	F57-Y132 HydrophobicContact CB-CD1 3.94Å; F57-Y132 HydrophobicContact CB-CD2 3.84Å; F57-Y132 HydrophobicContact CB-CE1 3.73Å; F57-Y132 HydrophobicContact CB-CE2 3.63Å; F57-Y132 HydrophobicContact CB-CG 4Å; F57-Y132 AromaticContact CD2-CD1 3.37Å; F57-Y132 HydrophobicContact CD2-CD1 3.37Å; F57-Y132 AromaticContact CD2-CD2 3.9Å; F57-Y132 HydrophobicContact CD2-CD2 3.9Å; F57-Y132 HydrophobicContact CD2-CE1 4.05Å; F57-Y132 HydrophobicContact CD2-CE2 4.5Å; F57-Y132 AromaticContact CD2-CG 3.3Å; F57-Y132 HydrophobicContact CD2-CG 3.3Å; F57-Y132 HydrophobicContact CE2-CD1 4.05Å; F57-Y132 HydrophobicContact CE2-CG 4.1Å; F57-Y132 AromaticContact CG-CD1 3.68Å; F57-Y132 HydrophobicContact CG-CD1 3.68Å; F57-Y132 HydrophobicContact CG-CD2 4.26Å; F57-Y132 AromaticContact CG-CE1 3.86Å; F57-Y132 HydrophobicContact CG-CE1 3.86Å; F57-Y132 HydrophobicContact CG-CE2 4.41Å; F57-Y132 AromaticContact CG-CG 3.91Å; F57-Y132 HydrophobicContact CG-CG 3.91Å; Y61-Y132 AromaticContact CD2-CD2 3.91Å; Y61-Y132 HydrophobicContact CD2-CD2 3.91Å; Y61-Y132 HydrophobicContact CD2-CG 4.2Å; Y61-Y132 AromaticContact CE2-CD2 3.83Å; Y61-Y132 HydrophobicContact CE2-CD2 3.83Å; Y61-Y132 HydrophobicContact CE2-CG 4.31Å; P128-Y132 WeakPolarHBondContact O-CB 3.49Å; P128-Y132 PolarHBondContact O-N 2.86Å; I130-Y132 VanDerWaalsContact C-N 3.28Å; I130-Y132 PolarHBondContact O-N 2.59Å
133	R	96.4	Very high	95.4	Very high	66 Å²	66	47.6 Å²	47.6	25%	0.249	24%	0.238	C	C	.	.	H	α-helix	trans	-82.7	-35.7	-176.6	-69.9	-177.4	176.9	171.2	0.9	114	D98 A99 W108 L129 I130	D98-R133 CarbonylContact C-O 3.49Å; D98-R133 WeakPolarHBondContact CA-O 3.49Å; D98-R133 WeakPolarHBondContact CB-O 3.25Å; A99-R133 PolarHBondContact N-O 3.42Å; W108-R133 HydrophobicContact CD2-CG 4.35Å; W108-R133 HydrophobicContact CG-CB 4.44Å; L129-R133 HydrophobicContact CD1-CG 4.46Å; L129-R133 PolarHBondContact O-N 2.91Å; L129-R133 VanDerWaalsContact O-N 3.13Å; I130-R133 PolarHBondContact O-N 2.87Å
134	C	97	Very high	94.5	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.262	C	S	.	.			trans	-122.8	31.3	-163.4	-56.4	0	0	0	0	112.5	D98 C112 I116 I130 K136 T137 C138	D98-C134 WeakPolarHBondContact OD1-CA 3.41Å; C112-C134 VanDerWaalsContact CA-SG 3.58Å; C112-C134 HydrophobicContact CB-CB 3.66Å; C112-C134 WeakPolarHBondContact CB-SG 3.42Å; C112-C134 WeakPolarHBondContact SG-CA 3.47Å; C112-C134 WeakPolarHBondContact SG-CB 3.47Å; C112-C134 CovalentContact SG-SG 2.03Å; C112-C134 PolarHBondContact SG-SG 2.94Å; I116-C134 HydrophobicContact CD1-CB 3.5Å; I130-C134 HydrophobicContact CG2-CB 4.1Å; I130-C134 WeakPolarHBondContact O-CA 3.39Å; I130-C134 VanDerWaalsContact O-CB 3.23Å; I130-C134 WeakPolarHBondContact O-CB 3.09Å; I130-C134 PolarHBondContact O-N 2.84Å; C134-K136 VanDerWaalsContact C-N 3.28Å; C134-K136 PolarHBondContact O-N 3.32Å; C134-T137 PolarHBondContact O-N 3.27Å; C134-C138 WeakPolarHBondContact O-CB 3.05Å; C134-C138 PolarHBondContact O-N 3.32Å
135	Y	97.1	Very high	94.5	Very high	1 Å²	1	51.8 Å²	51.8	0%	0.004	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-44	-174.2	-157.3	-76.6	0	0	0	113	H90 P96 D98 Q131 N139 V140 A141	H90-Y135 HydrophobicContact CB-CD1 3.74Å; H90-Y135 HydrophobicContact CB-CD2 3.82Å; H90-Y135 HydrophobicContact CB-CE1 3.59Å; H90-Y135 HydrophobicContact CB-CE2 3.67Å; H90-Y135 HydrophobicContact CB-CG 3.86Å; H90-Y135 AromaticContact CD2-CG 3.93Å; P96-Y135 HydrophobicContact CB-CD1 3.45Å; P96-Y135 VanDerWaalsContact CB-CD1 3.45Å; P96-Y135 HydrophobicContact CB-CE1 3.94Å; P96-Y135 HydrophobicContact CB-CG 4.36Å; P96-Y135 HydrophobicContact CG-CD1 3.88Å; P96-Y135 HydrophobicContact CG-CE1 4.18Å; D98-Y135 PolarHBondContact OD1-N 3.35Å; Q131-Y135 WeakPolarHBondContact O-CA 3.4Å; Q131-Y135 WeakPolarHBondContact O-CB 3.06Å; Q131-Y135 WeakPolarHBondContact O-CD2 3.45Å; Q131-Y135 PolarHBondContact O-N 3.45Å; Y135-N139 PolarHBondContact O-N 3.44Å; Y135-V140 HydrophobicContact CD1-CB 3.7Å; Y135-V140 HydrophobicContact CD1-CG1 4.37Å; Y135-V140 HydrophobicContact CD1-CG2 4.39Å; Y135-V140 HydrophobicContact CD2-CB 4.22Å; Y135-V140 HydrophobicContact CD2-CG1 4.32Å; Y135-V140 HydrophobicContact CD2-CG2 4.44Å; Y135-V140 HydrophobicContact CE1-CB 3.51Å; Y135-V140 HydrophobicContact CE1-CG1 3.78Å; Y135-V140 WeakPolarHBondContact CE1-O 3.16Å; Y135-V140 HydrophobicContact CE2-CB 4.06Å; Y135-V140 HydrophobicContact CE2-CG1 3.73Å; Y135-V140 HydrophobicContact CG-CB 4.06Å; Y135-V140 HydrophobicContact CG-CG2 4.32Å; Y135-V140 VanDerWaalsContact CZ-CG1 3.41Å; Y135-V140 PolarHBondContact O-N 2.99Å; Y135-V140 VanDerWaalsContact O-N 3.11Å; Y135-A141 PolarHBondContact OH-O 2.96Å; Y135-A141 VanDerWaalsContact OH-O 3.04Å
136	K	96.4	Very high	94.4	Very high	96 Å²	96	54.3 Å²	54.3	42%	0.417	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-48	178.9	173.7	-167.4	166.1	-159.6	0	110.5	D98 E109 C134 C138 N139	D98-K136 WeakPolarHBondContact OD1-CA 3.46Å; D98-K136 WeakPolarHBondContact OD1-CB 3.35Å; D98-K136 PolarHBondContact OD1-N 2.96Å; E109-K136 IonicContact OE1-NZ 3.81Å; E109-K136 IonicContact OE2-NZ 2.66Å; E109-K136 PolarHBondContact OE2-NZ 2.83Å; C134-K136 VanDerWaalsContact C-N 3.28Å; C134-K136 PolarHBondContact O-N 3.32Å; K136-C138 VanDerWaalsContact C-N 3.27Å; K136-C138 PolarHBondContact O-N 2.99Å; K136-N139 PolarHBondContact O-N 2.76Å
137	T	95.8	Very high	94.3	Very high	22 Å²	22	50.7 Å²	50.7	14%	0.135	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-39.4	-179.1	-71.5	0	0	0	0	111.8	D98 C112 K113 I116 C134 N139	D98-T137 PolarHBondContact OD1-N 2.9Å; D98-T137 WeakPolarHBondContact OD2-CB 3.13Å; D98-T137 PolarHBondContact OD2-OG1 2.96Å; C112-T137 HydrophobicContact CB-CG2 3.83Å; K113-T137 HydrophobicContact CG-CG2 4.45Å; I116-T137 HydrophobicContact CB-CG2 4.32Å; I116-T137 HydrophobicContact CD1-CG2 3.78Å; C134-T137 PolarHBondContact O-N 3.27Å; T137-N139 PolarHBondContact O-N 2.66Å
138	C	95.8	Very high	94.2	Very high	4 Å²	4	47.8 Å²	47.8	3%	0.027	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-5	174.1	-79	0	0	0	0	114.7	V26 I116 C125 I130 C134 K136 V140	V26-C138 WeakPolarHBondContact CB-O 3.49Å; V26-C138 WeakPolarHBondContact CG2-O 3.03Å; I116-C138 VanDerWaalsContact CD1-SG 3.51Å; C125-C138 WeakPolarHBondContact CA-SG 3.02Å; C125-C138 HydrophobicContact CB-CB 3.57Å; C125-C138 WeakPolarHBondContact CB-SG 3.44Å; C125-C138 WeakPolarHBondContact SG-CA 3.36Å; C125-C138 WeakPolarHBondContact SG-CB 3.22Å; C125-C138 CovalentContact SG-SG 2.04Å; C125-C138 PolarHBondContact SG-SG 2.79Å; I130-C138 VanDerWaalsContact CG2-SG 3.58Å; C134-C138 WeakPolarHBondContact O-CB 3.05Å; C134-C138 PolarHBondContact O-N 3.32Å; K136-C138 VanDerWaalsContact C-N 3.27Å; K136-C138 PolarHBondContact O-N 2.99Å; C138-V140 VanDerWaalsContact C-N 3.25Å; C138-V140 HydrophobicContact CB-CG2 3.7Å; C138-V140 PolarHBondContact O-N 3.2Å
139	N	94.4	Very high	94	Very high	50 Å²	50	48.8 Å²	48.8	27%	0.267	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	43.9	-176.4	-165.8	39.8	0	0	0	112.3	K23 S24 T25 V26 Y135 K136 T137 A141	K23-N139 HydrophobicContact CD-CB 4.29Å; K23-N139 PolarHBondContact O-ND2 2.83Å; S24-N139 PolarHBondContact O-ND2 3.43Å; T25-N139 WeakPolarHBondContact CA-O 3.35Å; V26-N139 PolarHBondContact N-O 2.66Å; Y135-N139 PolarHBondContact O-N 3.44Å; K136-N139 PolarHBondContact O-N 2.76Å; T137-N139 PolarHBondContact O-N 2.66Å; N139-A141 PolarHBondContact O-N 3.18Å
140	V	96.3	Very high	93.9	Very high	6 Å²	6	47.7 Å²	47.7	4%	0.036	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-69.5	130.9	-177.7	-177.2	0	0	0	0	109.4	V26 P28 Q131 Y135 C138 C142	V26-V140 CarbonylContact O-C 3.5Å; V26-V140 VanDerWaalsContact O-CA 3.27Å; V26-V140 WeakPolarHBondContact O-CA 3.36Å; P28-V140 HydrophobicContact CB-CG1 3.99Å; Q131-V140 HydrophobicContact CB-CG2 4.43Å; Q131-V140 HydrophobicContact CG-CG2 3.85Å; Y135-V140 HydrophobicContact CD1-CB 3.7Å; Y135-V140 HydrophobicContact CD1-CG1 4.37Å; Y135-V140 HydrophobicContact CD1-CG2 4.39Å; Y135-V140 HydrophobicContact CD2-CB 4.22Å; Y135-V140 HydrophobicContact CD2-CG1 4.32Å; Y135-V140 HydrophobicContact CD2-CG2 4.44Å; Y135-V140 HydrophobicContact CE1-CB 3.51Å; Y135-V140 HydrophobicContact CE1-CG1 3.78Å; Y135-V140 WeakPolarHBondContact CE1-O 3.16Å; Y135-V140 HydrophobicContact CE2-CB 4.06Å; Y135-V140 HydrophobicContact CE2-CG1 3.73Å; Y135-V140 HydrophobicContact CG-CB 4.06Å; Y135-V140 HydrophobicContact CG-CG2 4.32Å; Y135-V140 VanDerWaalsContact CZ-CG1 3.41Å; Y135-V140 PolarHBondContact O-N 2.99Å; Y135-V140 VanDerWaalsContact O-N 3.11Å; C138-V140 VanDerWaalsContact C-N 3.25Å; C138-V140 HydrophobicContact CB-CG2 3.7Å; C138-V140 PolarHBondContact O-N 3.2Å; V140-C142 PolarHBondContact O-N 3.15Å
141	A	95.9	Very high	93.7	Very high	24 Å²	24	50.3 Å²	50.3	20%	0.198	26%	0.26	C	S	.	.			trans	-59	135.6	-178	0	0	0	0	0	111.4	V26 Y135 N139	V26-A141 PolarHBondContact O-N 2.98Å; Y135-A141 PolarHBondContact OH-O 2.96Å; Y135-A141 VanDerWaalsContact OH-O 3.04Å; N139-A141 PolarHBondContact O-N 3.18Å
142	C	94.9	Very high	93.4	Very high	27 Å²	27	54.1 Å²	54.1	18%	0.182	28%	0.279	C	S	.	.			trans	-83.9	176.1	164.4	-74.8	0	0	0	0	110.1	C93 V140	C93-C142 VanDerWaalsContact CA-SG 3.56Å; C93-C142 HydrophobicContact CB-CB 3.7Å; C93-C142 WeakPolarHBondContact CB-SG 3.23Å; C93-C142 VanDerWaalsContact SG-CA 3.58Å; C93-C142 WeakPolarHBondContact SG-CB 3.46Å; C93-C142 CovalentContact SG-SG 2.04Å; C93-C142 PolarHBondContact SG-SG 2.89Å; V140-C142 PolarHBondContact O-N 3.15Å
143	K	86.2	Confident	93.2	Very high	161 Å²	161	52.6 Å²	52.6	70%	0.7	28%	0.279	S	S	*	.			trans	-52.6	131	172.6	-170.3	-178.8	177.5	178	0	109	Y89	Y89-K143 HydrophobicContact CD2-CB 4.04Å; Y89-K143 HydrophobicContact CE2-CB 3.82Å; Y89-K143 HydrophobicContact CE2-CG 4.12Å
144	P	71.6	Confident	92.9	Very high	174 Å²	174	51.4 Å²	51.4	100%	1.13	28%	0.282	S	S	*	.			trans	-63	0	174	27.5	-34.3	0	0	0	112

Retrieved 144 of 144 residues in 303.6 ms (Link to these results)

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