A0A077Z9G7_TRITR Loading...

HLH domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z9G7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 158 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	44.7	Very low	55	Low	231 Å²	231	141.6 Å²	141.6	100%	1.138	85%	0.848	S	S	*	*				0	126.9	0	-67.8	161.6	81.5	0	0	107.4
2	N	53.3	Low	55.6	Low	172 Å²	172	146.7 Å²	146.7	92%	0.92	85%	0.85	S	S	*	*			trans	54.8	130.8	167.6	-57.4	9.3	0	0	0	117.4
3	G	48.7	Very low	55.5	Low	76 Å²	76	143.2 Å²	143.2	78%	0.784	83%	0.833	S	S	*	*			cis	177.6	123	3.5	0	0	0	0	0	105.2
4	K	54.8	Low	54.8	Low	206 Å²	206	140.6 Å²	140.6	90%	0.896	84%	0.836	S	S	*	*			trans	-68.1	143.6	178.1	-69.3	163.7	171.6	176.7	0	110.1
5	S	57.4	Low	54.9	Low	123 Å²	123	137.1 Å²	137.1	86%	0.86	83%	0.829	S	S	*	*				179.9	102.9	120.1	-77.2	0	0	0	0	110
6	A	54	Low	55	Low	104 Å²	104	134.6 Å²	134.6	86%	0.86	83%	0.827	S	S	*	*			trans	-83.6	132	157.1	0	0	0	0	0	107.6
7	S	59.4	Low	55	Low	110 Å²	110	135.2 Å²	135.2	77%	0.769	82%	0.824	S	S	*	*			trans	-156.3	100.7	152.1	-150.4	0	0	0	0	111
8	T	60.2	Low	54.9	Low	119 Å²	119	135.5 Å²	135.5	73%	0.73	82%	0.82	S	S	*	*				60.1	104.6	128.7	-22.2	0	0	0	0	119
9	A	55.2	Low	55.1	Low	96 Å²	96	139.8 Å²	139.8	79%	0.793	82%	0.82	S	S	*	*			trans	-59.2	129.7	159.7	0	0	0	0	0	110.8
10	I	60.9	Low	55.1	Low	161 Å²	161	137.7 Å²	137.7	83%	0.826	81%	0.813	S	S	*	*			trans	-96.8	91.5	165.1	-57.9	176.1	0	0	0	106.4	K12	I10-K12 PolarHBondContact O-N 2.99Å
11	E	56.5	Low	55.1	Low	160 Å²	160	141.3 Å²	141.3	75%	0.748	81%	0.813	S	S	*	*			trans	-64.3	108.4	163.5	-175.4	172.8	157.6	0	0	107.9	T13	E11-T13 HydrophobicContact CG-CG2 4.11Å; E11-T13 PolarHBondContact O-N 3.37Å
12	K	61.9	Low	55.6	Low	202 Å²	202	136.8 Å²	136.8	88%	0.878	79%	0.793	S	S	*	*			trans	-80	81.6	175.6	-159.4	171.6	-173.4	179.3	0	107.9	I10	I10-K12 PolarHBondContact O-N 2.99Å
13	T	54.7	Low	55.8	Low	102 Å²	102	132.8 Å²	132.8	63%	0.626	78%	0.775	S	S	*	*			trans	-58.8	132.7	173.9	50.6	0	0	0	0	110.6	E11 A15	E11-T13 HydrophobicContact CG-CG2 4.11Å; E11-T13 PolarHBondContact O-N 3.37Å; T13-A15 PolarHBondContact O-N 3.24Å
14	A	45.9	Very low	56.2	Low	107 Å²	107	133.9 Å²	133.9	88%	0.884	76%	0.763	S	S	*	*			trans	-55.6	121.6	172.5	0	0	0	0	0	111.4
15	A	55.9	Low	56.6	Low	88 Å²	88	128 Å²	128	73%	0.727	75%	0.745	S	S	*	*			trans	-141.2	117.9	165.8	0	0	0	0	0	107.7	T13	T13-A15 PolarHBondContact O-N 3.24Å
16	A	56.2	Low	56.9	Low	96 Å²	96	126 Å²	126	79%	0.793	73%	0.727	S	S	*	*			trans	50.5	136.1	146.8	0	0	0	0	0	117.5
17	D	55.9	Low	57.6	Low	146 Å²	146	123.8 Å²	123.8	78%	0.781	71%	0.705	S	S	*	*			cis	179.3	159.8	42	-150.5	-15.8	0	0	0	108.8	R19	D17-R19 PolarHBondContact O-N 2.97Å
18	D	52.9	Low	58.2	Low	140 Å²	140	123.1 Å²	123.1	75%	0.749	69%	0.692	S	S	*	*			trans	-64.3	66.8	-167.1	-175.8	30.6	0	0	0	117.1
19	R	57.5	Low	58.8	Low	217 Å²	217	123.1 Å²	123.1	82%	0.819	68%	0.684	S	S	*	*			trans	-110.5	24.5	176.6	-68	-166.2	-164.4	165.6	6.1	116.4	D17 T23	D17-R19 PolarHBondContact O-N 2.97Å; R19-T23 PolarHBondContact O-OG1 2.98Å
20	S	55.9	Low	59.8	Low	98 Å²	98	121.9 Å²	121.9	69%	0.685	67%	0.666	S	S	*	*			trans	-91.5	-5.9	-167.9	-163.3	0	0	0	0	116.6
21	R	55.3	Low	60.6	Low	214 Å²	214	117.4 Å²	117.4	81%	0.808	64%	0.644	S	S	*	*	S	Bend	trans	-100.5	-31.7	-177.7	-82.2	-172.2	-166.8	114	3.2	116
22	D	54.4	Low	61.9	Low	135 Å²	135	115.7 Å²	115.7	72%	0.722	64%	0.636	S	S	*	*	H	α-helix	trans	-86.2	-17.1	-178.4	-65.5	-40.9	0	0	0	113.8	D24 T26	D22-D24 VanDerWaalsContact C-N 3.32Å; D22-T26 PolarHBondContact O-OG1 3.38Å
23	T	58.3	Low	63	Low	88 Å²	88	108.1 Å²	108.1	54%	0.54	60%	0.604	S	S	.	*	H	α-helix	trans	-70.9	-28.6	175	45	0	0	0	0	112.3	R19 S27	R19-T23 PolarHBondContact O-OG1 2.98Å; T23-S27 WeakPolarHBondContact O-CB 3.35Å; T23-S27 PolarHBondContact O-N 3.2Å
24	D	57.8	Low	64.4	Low	100 Å²	100	108.4 Å²	108.4	54%	0.535	60%	0.597	S	S	.	*	H	α-helix	trans	-71.2	-43.9	-179.5	-165.1	23	0	0	0	111.8	D22 T26 S27 L28	D22-D24 VanDerWaalsContact C-N 3.32Å; D24-T26 VanDerWaalsContact C-N 3.31Å; D24-T26 PolarHBondContact O-N 3.4Å; D24-S27 WeakPolarHBondContact O-CB 3.45Å; D24-S27 PolarHBondContact O-N 3.17Å; D24-S27 VanDerWaalsContact O-N 3.16Å; D24-L28 WeakPolarHBondContact O-CG 3.29Å; D24-L28 PolarHBondContact O-N 3.21Å
25	V	61.6	Low	66.4	Low	83 Å²	83	110.6 Å²	110.6	50%	0.503	58%	0.582	S	S	.	*	H	α-helix	trans	-62.1	-39.8	177.3	-176.8	0	0	0	0	111.4	L28 Q29	V25-L28 PolarHBondContact O-N 2.87Å; V25-Q29 WeakPolarHBondContact O-CG 3.42Å; V25-Q29 PolarHBondContact O-N 3.16Å
26	T	65.4	Low	67.9	Low	80 Å²	80	109.6 Å²	109.6	49%	0.491	56%	0.564	S	S	.	*	H	α-helix	trans	-70.3	-37.6	177.1	-50.2	0	0	0	0	111.4	D22 D24 Q29 V30	D22-T26 PolarHBondContact O-OG1 3.38Å; D24-T26 VanDerWaalsContact C-N 3.31Å; D24-T26 PolarHBondContact O-N 3.4Å; T26-Q29 PolarHBondContact O-N 2.99Å; T26-V30 VanDerWaalsContact O-CG2 3.3Å; T26-V30 WeakPolarHBondContact O-CG2 3.5Å; T26-V30 PolarHBondContact O-N 3.37Å
27	S	67.6	Low	69.4	Low	57 Å²	57	109.6 Å²	109.6	40%	0.399	54%	0.543	S	S	.	.	H	α-helix	trans	-62.4	-44.6	174.9	-168.6	0	0	0	0	111.6	T23 D24 Q29 V30 D31	T23-S27 WeakPolarHBondContact O-CB 3.35Å; T23-S27 PolarHBondContact O-N 3.2Å; D24-S27 WeakPolarHBondContact O-CB 3.45Å; D24-S27 PolarHBondContact O-N 3.17Å; D24-S27 VanDerWaalsContact O-N 3.16Å; S27-Q29 VanDerWaalsContact C-N 3.33Å; S27-Q29 PolarHBondContact O-N 3.34Å; S27-V30 PolarHBondContact O-N 3.5Å; S27-D31 WeakPolarHBondContact O-CB 3.3Å; S27-D31 VanDerWaalsContact O-CG 3.25Å; S27-D31 PolarHBondContact O-N 2.92Å
28	L	72.2	Confident	71	Confident	96 Å²	96	109.8 Å²	109.8	50%	0.503	53%	0.533	S	S	.	.	H	α-helix	trans	-60.5	-41	177	-69.1	175.5	0	0	0	112.1	D24 V25 D31 Q32	D24-L28 WeakPolarHBondContact O-CG 3.29Å; D24-L28 PolarHBondContact O-N 3.21Å; V25-L28 PolarHBondContact O-N 2.87Å; L28-D31 PolarHBondContact O-N 3.34Å; L28-Q32 VanDerWaalsContact O-CG 3.27Å; L28-Q32 WeakPolarHBondContact O-CG 3.41Å; L28-Q32 PolarHBondContact O-N 3.45Å
29	Q	72.1	Confident	72.9	Confident	120 Å²	120	107.3 Å²	107.3	56%	0.561	52%	0.517	S	S	*	.	H	α-helix	trans	-65.9	-41.6	175.6	-72.7	-178.8	-23.6	0	0	112.4	V25 T26 S27 D31 Q32 E33	V25-Q29 WeakPolarHBondContact O-CG 3.42Å; V25-Q29 PolarHBondContact O-N 3.16Å; T26-Q29 PolarHBondContact O-N 2.99Å; S27-Q29 VanDerWaalsContact C-N 3.33Å; S27-Q29 PolarHBondContact O-N 3.34Å; Q29-D31 VanDerWaalsContact C-N 3.29Å; Q29-D31 PolarHBondContact O-N 2.9Å; Q29-Q32 PolarHBondContact O-N 2.89Å; Q29-E33 PolarHBondContact O-N 3.26Å
30	V	76.9	Confident	74.2	Confident	69 Å²	69	101.9 Å²	101.9	42%	0.418	50%	0.503	S	S	.	.	H	α-helix	trans	-63.9	-37.8	175.5	169.9	0	0	0	0	110.9	T26 S27 E33 K34	T26-V30 VanDerWaalsContact O-CG2 3.3Å; T26-V30 WeakPolarHBondContact O-CG2 3.5Å; T26-V30 PolarHBondContact O-N 3.37Å; S27-V30 PolarHBondContact O-N 3.5Å; V30-E33 PolarHBondContact O-N 2.95Å; V30-K34 HydrophobicContact CG1-CD 4.23Å; V30-K34 WeakPolarHBondContact O-CB 3.46Å; V30-K34 VanDerWaalsContact O-CG 3.28Å; V30-K34 WeakPolarHBondContact O-CG 3.42Å; V30-K34 PolarHBondContact O-N 2.93Å
31	D	78.2	Confident	75.7	Confident	68 Å²	68	99.9 Å²	99.9	36%	0.364	49%	0.493	S	S	.	.	H	α-helix	trans	-72.4	-33.5	178.5	-68.8	-28.3	0	0	0	112.5	S27 L28 Q29 K34 R35	S27-D31 WeakPolarHBondContact O-CB 3.3Å; S27-D31 VanDerWaalsContact O-CG 3.25Å; S27-D31 PolarHBondContact O-N 2.92Å; L28-D31 PolarHBondContact O-N 3.34Å; Q29-D31 VanDerWaalsContact C-N 3.29Å; Q29-D31 PolarHBondContact O-N 2.9Å; D31-K34 IonicContact OD1-NZ 3.26Å; D31-K34 PolarHBondContact OD1-NZ 3.24Å; D31-R35 VanDerWaalsContact O-CB 3.29Å; D31-R35 WeakPolarHBondContact O-CB 3.27Å; D31-R35 PolarHBondContact O-N 3.36Å
32	Q	84.4	Confident	77.6	Confident	124 Å²	124	94.6 Å²	94.6	58%	0.579	48%	0.481	S	S	*	.	H	α-helix	trans	-63.5	-46	168.5	-73.7	174.6	4.5	0	0	111.6	L28 Q29 K34 R35 L36	L28-Q32 VanDerWaalsContact O-CG 3.27Å; L28-Q32 WeakPolarHBondContact O-CG 3.41Å; L28-Q32 PolarHBondContact O-N 3.45Å; Q29-Q32 PolarHBondContact O-N 2.89Å; Q32-K34 PolarHBondContact O-N 2.94Å; Q32-R35 CarbonylContact O-C 3.59Å; Q32-R35 WeakPolarHBondContact O-CA 3.36Å; Q32-R35 WeakPolarHBondContact O-CB 3.39Å; Q32-R35 PolarHBondContact O-N 2.84Å; Q32-R35 VanDerWaalsContact O-N 3.11Å; Q32-L36 WeakPolarHBondContact O-CG 3.34Å; Q32-L36 PolarHBondContact O-N 3.15Å
33	E	83.1	Confident	79.3	Confident	43 Å²	43	91 Å²	91	20%	0.201	47%	0.466	C	S	.	.	H	α-helix	trans	-62.9	-43.9	176.5	174	59.9	-160.8	0	0	111.6	Q29 V30 R35 L36 R37	Q29-E33 PolarHBondContact O-N 3.26Å; V30-E33 PolarHBondContact O-N 2.95Å; E33-R35 VanDerWaalsContact C-N 3.26Å; E33-R35 PolarHBondContact O-N 2.87Å; E33-L36 PolarHBondContact O-N 3.5Å; E33-R37 WeakPolarHBondContact O-CG 3.28Å; E33-R37 PolarHBondContact O-N 3.39Å; E33-R37 IonicContact OE1-CZ 3.45Å; E33-R37 IonicContact OE1-NE 2.81Å; E33-R37 PolarHBondContact OE1-NE 3.35Å; E33-R37 IonicContact OE1-NH2 3.18Å; E33-R37 PolarHBondContact OE1-NH2 2.91Å
34	K	84.8	Confident	81	Confident	108 Å²	108	91 Å²	91	47%	0.47	46%	0.463	S	S	.	.	H	α-helix	trans	-60.6	-36.4	172.8	-73.5	171.3	-171.4	160.2	0	111.8	V30 D31 Q32 R38	V30-K34 HydrophobicContact CG1-CD 4.23Å; V30-K34 WeakPolarHBondContact O-CB 3.46Å; V30-K34 VanDerWaalsContact O-CG 3.28Å; V30-K34 WeakPolarHBondContact O-CG 3.42Å; V30-K34 PolarHBondContact O-N 2.93Å; D31-K34 IonicContact OD1-NZ 3.26Å; D31-K34 PolarHBondContact OD1-NZ 3.24Å; Q32-K34 PolarHBondContact O-N 2.94Å; K34-R38 WeakPolarHBondContact O-CG 3.42Å; K34-R38 PolarHBondContact O-N 3.23Å; K34-R38 VanDerWaalsContact O-N 3.15Å; K34-R38 PolarHBondContact O-NE 3.32Å
35	R	88.4	Confident	82.8	Confident	152 Å²	152	89.9 Å²	89.9	57%	0.574	45%	0.454	S	S	*	.	H	α-helix	trans	-66.7	-46	175	-178.7	179.1	176.6	163.6	3	111.1	D31 Q32 E33 R37 R38 E39	D31-R35 VanDerWaalsContact O-CB 3.29Å; D31-R35 WeakPolarHBondContact O-CB 3.27Å; D31-R35 PolarHBondContact O-N 3.36Å; Q32-R35 CarbonylContact O-C 3.59Å; Q32-R35 WeakPolarHBondContact O-CA 3.36Å; Q32-R35 WeakPolarHBondContact O-CB 3.39Å; Q32-R35 PolarHBondContact O-N 2.84Å; Q32-R35 VanDerWaalsContact O-N 3.11Å; E33-R35 VanDerWaalsContact C-N 3.26Å; E33-R35 PolarHBondContact O-N 2.87Å; R35-R37 VanDerWaalsContact C-N 3.35Å; R35-R37 PolarHBondContact O-N 3.13Å; R35-R38 WeakPolarHBondContact O-CB 3.38Å; R35-R38 PolarHBondContact O-N 3.42Å; R35-R38 VanDerWaalsContact O-N 3.13Å; R35-E39 HydrophobicContact CG-CG 4.47Å; R35-E39 WeakPolarHBondContact CG-OE1 3.48Å; R35-E39 IonicContact CZ-OE1 3.86Å; R35-E39 IonicContact NE-OE1 2.95Å; R35-E39 PolarHBondContact NE-OE1 3.11Å; R35-E39 IonicContact NH2-OE1 3.91Å; R35-E39 WeakPolarHBondContact O-CG 3.34Å; R35-E39 PolarHBondContact O-N 3.36Å
36	L	87.2	Confident	84.3	Confident	67 Å²	67	94.8 Å²	94.8	35%	0.351	46%	0.464	S	S	.	.	H	α-helix	trans	-58.6	-45	175.8	-72.2	171.6	0	0	0	111.6	Q32 E33 R38 E39 I40	Q32-L36 WeakPolarHBondContact O-CG 3.34Å; Q32-L36 PolarHBondContact O-N 3.15Å; E33-L36 PolarHBondContact O-N 3.5Å; L36-R38 VanDerWaalsContact C-N 3.32Å; L36-R38 PolarHBondContact O-N 3.44Å; L36-E39 PolarHBondContact O-N 3.08Å; L36-E39 VanDerWaalsContact O-N 3.14Å; L36-I40 VanDerWaalsContact O-CG1 3.31Å; L36-I40 WeakPolarHBondContact O-CG1 3.31Å; L36-I40 PolarHBondContact O-N 3.14Å
37	R	87.7	Confident	85.3	Confident	96 Å²	96	93.4 Å²	93.4	36%	0.362	45%	0.449	S	S	.	.	H	α-helix	trans	-59.2	-41.6	175.3	-70	179.1	-171.3	-163	3	112.6	E33 R35 I40 A41	E33-R37 WeakPolarHBondContact O-CG 3.28Å; E33-R37 PolarHBondContact O-N 3.39Å; E33-R37 IonicContact OE1-CZ 3.45Å; E33-R37 IonicContact OE1-NE 2.81Å; E33-R37 PolarHBondContact OE1-NE 3.35Å; E33-R37 IonicContact OE1-NH2 3.18Å; E33-R37 PolarHBondContact OE1-NH2 2.91Å; R35-R37 VanDerWaalsContact C-N 3.35Å; R35-R37 PolarHBondContact O-N 3.13Å; R37-I40 PolarHBondContact O-N 2.93Å; R37-A41 PolarHBondContact O-N 3.5Å; R37-A41 VanDerWaalsContact O-N 3.08Å
38	R	89.8	Confident	86.4	Confident	151 Å²	151	97.2 Å²	97.2	57%	0.57	46%	0.455	S	S	*	.	H	α-helix	trans	-64.3	-42.2	174.4	-74.7	179.8	-71.6	165.4	-3.5	111.7	K34 R35 L36 A41 N42	K34-R38 WeakPolarHBondContact O-CG 3.42Å; K34-R38 PolarHBondContact O-N 3.23Å; K34-R38 VanDerWaalsContact O-N 3.15Å; K34-R38 PolarHBondContact O-NE 3.32Å; R35-R38 WeakPolarHBondContact O-CB 3.38Å; R35-R38 PolarHBondContact O-N 3.42Å; R35-R38 VanDerWaalsContact O-N 3.13Å; L36-R38 VanDerWaalsContact C-N 3.32Å; L36-R38 PolarHBondContact O-N 3.44Å; R38-A41 PolarHBondContact O-N 3.49Å; R38-N42 WeakPolarHBondContact O-CB 3.31Å; R38-N42 VanDerWaalsContact O-CG 3.24Å; R38-N42 PolarHBondContact O-N 2.81Å; R38-N42 PolarHBondContact O-ND2 2.9Å
39	E	91.8	Very high	87.2	Confident	88 Å²	88	96.1 Å²	96.1	41%	0.411	45%	0.448	S	S	.	.	H	α-helix	trans	-64.1	-39.9	178.3	-73.1	173.5	-173.2	0	0	111.9	R35 L36 N42 S43	R35-E39 HydrophobicContact CG-CG 4.47Å; R35-E39 WeakPolarHBondContact CG-OE1 3.48Å; R35-E39 IonicContact CZ-OE1 3.86Å; R35-E39 IonicContact NE-OE1 2.95Å; R35-E39 PolarHBondContact NE-OE1 3.11Å; R35-E39 IonicContact NH2-OE1 3.91Å; R35-E39 WeakPolarHBondContact O-CG 3.34Å; R35-E39 PolarHBondContact O-N 3.36Å; L36-E39 PolarHBondContact O-N 3.08Å; L36-E39 VanDerWaalsContact O-N 3.14Å; E39-N42 PolarHBondContact O-N 3.22Å; E39-S43 VanDerWaalsContact O-CB 3.31Å; E39-S43 WeakPolarHBondContact O-CB 3.42Å; E39-S43 PolarHBondContact O-N 3.24Å
40	I	84.7	Confident	88.1	Confident	102 Å²	102	96.4 Å²	96.4	52%	0.523	45%	0.45	S	S	.	.	H	α-helix	trans	-62.6	-46.9	173.6	-66.4	165.1	0	0	0	110.8	L36 R37 N42 S43 N44	L36-I40 VanDerWaalsContact O-CG1 3.31Å; L36-I40 WeakPolarHBondContact O-CG1 3.31Å; L36-I40 PolarHBondContact O-N 3.14Å; R37-I40 PolarHBondContact O-N 2.93Å; I40-N42 PolarHBondContact O-N 2.91Å; I40-S43 PolarHBondContact O-N 2.75Å; I40-N44 WeakPolarHBondContact O-CB 3.41Å; I40-N44 PolarHBondContact O-N 3.37Å
41	A	89.2	Confident	88.4	Confident	57 Å²	57	94.6 Å²	94.6	47%	0.471	44%	0.44	S	S	.	.	H	α-helix	trans	-61.8	-43.9	178	0	0	0	0	0	112.1	R37 R38 N44 E45	R37-A41 PolarHBondContact O-N 3.5Å; R37-A41 VanDerWaalsContact O-N 3.08Å; R38-A41 PolarHBondContact O-N 3.49Å; A41-N44 WeakPolarHBondContact O-CB 3.5Å; A41-N44 PolarHBondContact O-N 3.18Å; A41-E45 PolarHBondContact O-N 3.15Å
42	N	93.3	Very high	88.5	Confident	102 Å²	102	94.2 Å²	94.2	55%	0.545	44%	0.437	S	S	.	.	H	α-helix	trans	-63.2	-42.2	176.3	-73.4	-21.7	0	0	0	112.1	R38 E39 I40 N44 E45 R46	R38-N42 WeakPolarHBondContact O-CB 3.31Å; R38-N42 VanDerWaalsContact O-CG 3.24Å; R38-N42 PolarHBondContact O-N 2.81Å; R38-N42 PolarHBondContact O-ND2 2.9Å; E39-N42 PolarHBondContact O-N 3.22Å; I40-N42 PolarHBondContact O-N 2.91Å; N42-N44 VanDerWaalsContact C-N 3.29Å; N42-N44 PolarHBondContact O-N 2.89Å; N42-E45 PolarHBondContact O-N 2.81Å; N42-R46 WeakPolarHBondContact O-CG 3.36Å; N42-R46 PolarHBondContact O-N 3.37Å
43	S	92	Very high	88.7	Confident	59 Å²	59	91.5 Å²	91.5	41%	0.413	43%	0.427	S	S	.	.	H	α-helix	trans	-62.2	-38.2	175.1	-176.6	0	0	0	0	111.8	E39 I40 R46 R47	E39-S43 VanDerWaalsContact O-CB 3.31Å; E39-S43 WeakPolarHBondContact O-CB 3.42Å; E39-S43 PolarHBondContact O-N 3.24Å; I40-S43 PolarHBondContact O-N 2.75Å; S43-R46 PolarHBondContact O-N 3Å; S43-R47 PolarHBondContact O-N 2.73Å
44	N	93.2	Very high	88.7	Confident	88 Å²	88	92 Å²	92	47%	0.471	44%	0.438	S	S	.	.	H	α-helix	trans	-63.9	-47.3	175.7	-168.7	16	0	0	0	112.2	I40 A41 N42 R46 R47 R48	I40-N44 WeakPolarHBondContact O-CB 3.41Å; I40-N44 PolarHBondContact O-N 3.37Å; A41-N44 WeakPolarHBondContact O-CB 3.5Å; A41-N44 PolarHBondContact O-N 3.18Å; N42-N44 VanDerWaalsContact C-N 3.29Å; N42-N44 PolarHBondContact O-N 2.89Å; N44-R46 VanDerWaalsContact C-N 3.28Å; N44-R46 PolarHBondContact O-N 3.4Å; N44-R47 PolarHBondContact O-N 2.84Å; N44-R47 VanDerWaalsContact O-N 3.14Å; N44-R48 PolarHBondContact O-N 3.33Å
45	E	94.8	Very high	88.7	Confident	77 Å²	77	88.4 Å²	88.4	36%	0.36	43%	0.432	S	S	.	.	H	α-helix	trans	-64.1	-35.6	177	-176.5	56.5	-154.8	0	0	111.8	A41 N42 R47 R48 M49	A41-E45 PolarHBondContact O-N 3.15Å; N42-E45 PolarHBondContact O-N 2.81Å; E45-R47 PolarHBondContact O-N 3.37Å; E45-R48 PolarHBondContact O-N 3.47Å; E45-R48 IonicContact OE1-NH1 3.23Å; E45-R48 PolarHBondContact OE1-NH1 3.21Å; E45-R48 IonicContact OE2-NH1 3.03Å; E45-R48 PolarHBondContact OE2-NH1 3.23Å; E45-M49 WeakPolarHBondContact O-CB 3.32Å; E45-M49 PolarHBondContact O-N 3.03Å
46	R	92.7	Very high	88.2	Confident	186 Å²	186	84.3 Å²	84.3	70%	0.702	42%	0.418	S	S	*	.	H	α-helix	trans	-59.2	-45.2	172.4	-75.7	-180	-176.7	-172.5	2.2	111.7	N42 S43 N44 M49 Q50	N42-R46 WeakPolarHBondContact O-CG 3.36Å; N42-R46 PolarHBondContact O-N 3.37Å; S43-R46 PolarHBondContact O-N 3Å; N44-R46 VanDerWaalsContact C-N 3.28Å; N44-R46 PolarHBondContact O-N 3.4Å; R46-M49 PolarHBondContact O-N 2.89Å; R46-Q50 WeakPolarHBondContact O-CB 3.46Å; R46-Q50 VanDerWaalsContact O-CG 3.26Å; R46-Q50 WeakPolarHBondContact O-CG 3.32Å; R46-Q50 PolarHBondContact O-N 3.36Å
47	R	87.6	Confident	88.1	Confident	51 Å²	51	87.4 Å²	87.4	19%	0.192	43%	0.431	C	S	.	.	H	α-helix	trans	-62.4	-45.2	175.7	-80.8	-171.7	-78	171.2	-10.8	112.2	S43 N44 E45 M49 Q50 S51 N101 S105	S43-R47 PolarHBondContact O-N 2.73Å; N44-R47 PolarHBondContact O-N 2.84Å; N44-R47 VanDerWaalsContact O-N 3.14Å; E45-R47 PolarHBondContact O-N 3.37Å; R47-M49 VanDerWaalsContact C-N 3.34Å; R47-M49 PolarHBondContact O-N 3.45Å; R47-Q50 PolarHBondContact O-N 2.83Å; R47-S51 PolarHBondContact O-N 3.37Å; R47-N101 PolarHBondContact NH1-O 3.04Å; R47-N101 VanDerWaalsContact NH1-O 3.16Å; R47-S105 PolarHBondContact NH1-OG 2.89Å
48	R	89.8	Confident	87.8	Confident	138 Å²	138	86.1 Å²	86.1	52%	0.521	43%	0.434	S	S	.	.	H	α-helix	trans	-56.7	-49.6	175	-179.5	174.9	168.6	-119.9	1.9	110.9	N44 E45 Q50 S51 I52	N44-R48 PolarHBondContact O-N 3.33Å; E45-R48 PolarHBondContact O-N 3.47Å; E45-R48 IonicContact OE1-NH1 3.23Å; E45-R48 PolarHBondContact OE1-NH1 3.21Å; E45-R48 IonicContact OE2-NH1 3.03Å; E45-R48 PolarHBondContact OE2-NH1 3.23Å; R48-Q50 VanDerWaalsContact C-N 3.35Å; R48-Q50 PolarHBondContact O-N 3.22Å; R48-S51 PolarHBondContact O-N 2.94Å; R48-S51 PolarHBondContact O-OG 3.06Å; R48-I52 HydrophobicContact CG-CD1 4.03Å; R48-I52 VanDerWaalsContact O-CG1 3.32Å; R48-I52 WeakPolarHBondContact O-CG1 3.38Å; R48-I52 PolarHBondContact O-N 2.98Å
49	M	89.1	Confident	87.3	Confident	73 Å²	73	80.8 Å²	80.8	36%	0.36	42%	0.416	S	S	.	.	H	α-helix	trans	-63.9	-37.7	178.8	-167.2	61.5	58.2	0	0	112.5	E45 R46 R47 I52 N53	E45-M49 WeakPolarHBondContact O-CB 3.32Å; E45-M49 PolarHBondContact O-N 3.03Å; R46-M49 PolarHBondContact O-N 2.89Å; R47-M49 VanDerWaalsContact C-N 3.34Å; R47-M49 PolarHBondContact O-N 3.45Å; M49-I52 PolarHBondContact O-N 3.37Å; M49-N53 WeakPolarHBondContact O-CB 3.46Å; M49-N53 PolarHBondContact O-N 2.82Å; M49-N53 PolarHBondContact O-ND2 3.32Å
50	Q	90.7	Very high	86.6	Confident	126 Å²	126	82.9 Å²	82.9	59%	0.589	42%	0.421	S	S	*	.	H	α-helix	trans	-63.4	-44.2	173.9	-77.6	174.4	-7.3	0	0	111.7	R46 R47 R48 I52 N53 A54	R46-Q50 WeakPolarHBondContact O-CB 3.46Å; R46-Q50 VanDerWaalsContact O-CG 3.26Å; R46-Q50 WeakPolarHBondContact O-CG 3.32Å; R46-Q50 PolarHBondContact O-N 3.36Å; R47-Q50 PolarHBondContact O-N 2.83Å; R48-Q50 VanDerWaalsContact C-N 3.35Å; R48-Q50 PolarHBondContact O-N 3.22Å; Q50-I52 VanDerWaalsContact C-N 3.28Å; Q50-I52 PolarHBondContact O-N 2.7Å; Q50-N53 PolarHBondContact O-N 3.44Å; Q50-A54 WeakPolarHBondContact O-CB 3.36Å; Q50-A54 PolarHBondContact O-N 3.44Å
51	S	84.2	Confident	86.3	Confident	30 Å²	30	82.4 Å²	82.4	21%	0.21	43%	0.426	C	S	.	.	H	α-helix	trans	-62.2	-38.4	176.8	79.4	0	0	0	0	111.9	R47 R48 G55	R47-S51 PolarHBondContact O-N 3.37Å; R48-S51 PolarHBondContact O-N 2.94Å; R48-S51 PolarHBondContact O-OG 3.06Å; S51-G55 PolarHBondContact O-N 3.14Å
52	I	81.2	Confident	85.5	Confident	60 Å²	60	85.3 Å²	85.3	31%	0.308	43%	0.433	S	S	.	.	H	α-helix	trans	-65.9	-47.3	174.6	-70.2	168.2	0	0	0	110.4	R48 M49 Q50 A54 G55 F56	R48-I52 HydrophobicContact CG-CD1 4.03Å; R48-I52 VanDerWaalsContact O-CG1 3.32Å; R48-I52 WeakPolarHBondContact O-CG1 3.38Å; R48-I52 PolarHBondContact O-N 2.98Å; M49-I52 PolarHBondContact O-N 3.37Å; Q50-I52 VanDerWaalsContact C-N 3.28Å; Q50-I52 PolarHBondContact O-N 2.7Å; I52-A54 VanDerWaalsContact C-N 3.33Å; I52-A54 PolarHBondContact O-N 3.23Å; I52-G55 PolarHBondContact O-N 3.01Å; I52-F56 HydrophobicContact CG2-CD2 3.56Å; I52-F56 HydrophobicContact CG2-CE2 3.25Å; I52-F56 HydrophobicContact CG2-CZ 4.32Å; I52-F56 WeakPolarHBondContact O-CD2 3.26Å; I52-F56 PolarHBondContact O-N 2.82Å
53	N	88	Confident	84.5	Confident	68 Å²	68	82.1 Å²	82.1	36%	0.364	42%	0.416	S	S	.	.	H	α-helix	trans	-62.5	-39.9	178.5	-72.1	-19.4	0	0	0	111.9	M49 Q50 F56 Q57	M49-N53 WeakPolarHBondContact O-CB 3.46Å; M49-N53 PolarHBondContact O-N 2.82Å; M49-N53 PolarHBondContact O-ND2 3.32Å; Q50-N53 PolarHBondContact O-N 3.44Å; N53-F56 PolarHBondContact O-N 3.24Å; N53-Q57 WeakPolarHBondContact O-CG 3.37Å; N53-Q57 PolarHBondContact O-N 3.35Å
54	A	83.3	Confident	83.2	Confident	52 Å²	52	85 Å²	85	43%	0.43	43%	0.434	S	S	.	.	H	α-helix	trans	-63.2	-46.1	173.9	0	0	0	0	0	111	Q50 I52 F56 Q57 T58	Q50-A54 WeakPolarHBondContact O-CB 3.36Å; Q50-A54 PolarHBondContact O-N 3.44Å; I52-A54 VanDerWaalsContact C-N 3.33Å; I52-A54 PolarHBondContact O-N 3.23Å; A54-F56 VanDerWaalsContact C-N 3.33Å; A54-F56 PolarHBondContact O-N 2.84Å; A54-Q57 PolarHBondContact O-N 3.32Å; A54-Q57 VanDerWaalsContact O-N 3.11Å; A54-T58 PolarHBondContact O-N 2.96Å; A54-T58 PolarHBondContact O-OG1 3.47Å
55	G	84.4	Confident	81.7	Confident	33 Å²	33	90.9 Å²	90.9	34%	0.34	46%	0.455	S	S	.	.	H	α-helix	trans	-56.6	-44.9	173	0	0	0	0	0	112.4	S51 I52 Q57 T58 L59	S51-G55 PolarHBondContact O-N 3.14Å; I52-G55 PolarHBondContact O-N 3.01Å; G55-Q57 VanDerWaalsContact C-N 3.34Å; G55-Q57 PolarHBondContact O-N 3.27Å; G55-T58 PolarHBondContact O-N 3.02Å; G55-L59 VanDerWaalsContact O-CG 3.26Å; G55-L59 WeakPolarHBondContact O-CG 3.37Å; G55-L59 PolarHBondContact O-N 2.95Å
56	F	77.8	Confident	79.6	Confident	66 Å²	66	96 Å²	96	29%	0.289	48%	0.476	S	S	.	.	H	α-helix	trans	-61.6	-38.8	174.8	-79.6	-59.2	0	0	0	113	I52 N53 A54 L59 R60 M75	I52-F56 HydrophobicContact CG2-CD2 3.56Å; I52-F56 HydrophobicContact CG2-CE2 3.25Å; I52-F56 HydrophobicContact CG2-CZ 4.32Å; I52-F56 WeakPolarHBondContact O-CD2 3.26Å; I52-F56 PolarHBondContact O-N 2.82Å; N53-F56 PolarHBondContact O-N 3.24Å; A54-F56 VanDerWaalsContact C-N 3.33Å; A54-F56 PolarHBondContact O-N 2.84Å; F56-L59 PolarHBondContact O-N 2.91Å; F56-R60 WeakPolarHBondContact O-CB 3.32Å; F56-R60 VanDerWaalsContact O-CG 3.25Å; F56-R60 WeakPolarHBondContact O-CG 3.37Å; F56-R60 PolarHBondContact O-N 3.16Å; F56-M75 HydrophobicContact CD1-CB 3.91Å; F56-M75 HydrophobicContact CD1-CE 4.24Å; F56-M75 HydrophobicContact CD1-CG 4.23Å; F56-M75 HydrophobicContact CE1-CB 3.72Å; F56-M75 HydrophobicContact CE1-CG 4.5Å
57	Q	84.2	Confident	77.8	Confident	132 Å²	132	91.4 Å²	91.4	62%	0.617	49%	0.486	S	S	*	.	H	α-helix	trans	-65.9	-43.8	176.2	-73.3	178.5	16.9	0	0	111.7	N53 A54 G55 L59 R60 S61	N53-Q57 WeakPolarHBondContact O-CG 3.37Å; N53-Q57 PolarHBondContact O-N 3.35Å; A54-Q57 PolarHBondContact O-N 3.32Å; A54-Q57 VanDerWaalsContact O-N 3.11Å; G55-Q57 VanDerWaalsContact C-N 3.34Å; G55-Q57 PolarHBondContact O-N 3.27Å; Q57-L59 VanDerWaalsContact C-N 3.34Å; Q57-L59 PolarHBondContact O-N 3.11Å; Q57-R60 WeakPolarHBondContact O-CB 3.17Å; Q57-R60 PolarHBondContact O-N 3.35Å; Q57-S61 PolarHBondContact O-N 3.23Å
58	T	81.8	Confident	76.1	Confident	69 Å²	69	96.2 Å²	96.2	42%	0.423	51%	0.51	S	S	.	.	H	α-helix	trans	-58	-47.7	173.9	-56.8	0	0	0	0	110.8	A54 G55 R60 S61 L62	A54-T58 PolarHBondContact O-N 2.96Å; A54-T58 PolarHBondContact O-OG1 3.47Å; G55-T58 PolarHBondContact O-N 3.02Å; T58-R60 VanDerWaalsContact C-N 3.34Å; T58-R60 PolarHBondContact O-N 2.86Å; T58-S61 PolarHBondContact O-N 3.23Å; T58-S61 VanDerWaalsContact O-N 3.12Å; T58-S61 PolarHBondContact O-OG 3.44Å; T58-L62 HydrophobicContact CG2-CD1 4.32Å; T58-L62 WeakPolarHBondContact O-CG 3.42Å; T58-L62 PolarHBondContact O-N 2.73Å
59	L	79.4	Confident	74.3	Confident	39 Å²	39	99.5 Å²	99.5	20%	0.204	53%	0.528	C	S	.	.	H	α-helix	trans	-60.2	-42.5	176.7	-67.4	168.3	0	0	0	112	G55 F56 Q57 S61 L62 L63 M75 C79 M82	G55-L59 VanDerWaalsContact O-CG 3.26Å; G55-L59 WeakPolarHBondContact O-CG 3.37Å; G55-L59 PolarHBondContact O-N 2.95Å; F56-L59 PolarHBondContact O-N 2.91Å; Q57-L59 VanDerWaalsContact C-N 3.34Å; Q57-L59 PolarHBondContact O-N 3.11Å; L59-S61 VanDerWaalsContact C-N 3.28Å; L59-S61 PolarHBondContact O-N 2.83Å; L59-L62 PolarHBondContact O-N 2.76Å; L59-L62 VanDerWaalsContact O-N 3.17Å; L59-L63 WeakPolarHBondContact O-CG 3.32Å; L59-L63 PolarHBondContact O-N 3.4Å; L59-L63 VanDerWaalsContact O-N 3.11Å; L59-M75 HydrophobicContact CB-CE 3.81Å; L59-C79 HydrophobicContact CD1-CB 4.12Å; L59-C79 WeakPolarHBondContact CD1-SG 3.25Å; L59-C79 WeakPolarHBondContact CD2-SG 3.1Å; L59-M82 HydrophobicContact CD2-CE 3.77Å
60	R	77.5	Confident	72.5	Confident	133 Å²	133	99.9 Å²	99.9	50%	0.502	53%	0.53	S	S	.	.	H	α-helix	trans	-60.9	-34.1	175.9	-76.3	173.4	-176.9	-175	-0	113.2	F56 Q57 T58 M75	F56-R60 WeakPolarHBondContact O-CB 3.32Å; F56-R60 VanDerWaalsContact O-CG 3.25Å; F56-R60 WeakPolarHBondContact O-CG 3.37Å; F56-R60 PolarHBondContact O-N 3.16Å; Q57-R60 WeakPolarHBondContact O-CB 3.17Å; Q57-R60 PolarHBondContact O-N 3.35Å; T58-R60 VanDerWaalsContact C-N 3.34Å; T58-R60 PolarHBondContact O-N 2.86Å; R60-M75 HydrophobicContact CG-CE 4.15Å; R60-M75 HydrophobicContact CG-SD 3.94Å
61	S	77.3	Confident	70.7	Confident	92 Å²	92	97.7 Å²	97.7	64%	0.643	53%	0.529	S	S	*	.	H	α-helix	trans	-72.5	-28.3	176.8	68.4	0	0	0	0	113.6	Q57 T58 L59	Q57-S61 PolarHBondContact O-N 3.23Å; T58-S61 PolarHBondContact O-N 3.23Å; T58-S61 VanDerWaalsContact O-N 3.12Å; T58-S61 PolarHBondContact O-OG 3.44Å; L59-S61 VanDerWaalsContact C-N 3.28Å; L59-S61 PolarHBondContact O-N 2.83Å
62	L	74	Confident	69.4	Low	118 Å²	118	104.7 Å²	104.7	62%	0.618	56%	0.556	S	S	*	*	H	α-helix	trans	-84.5	-21.3	179.5	-65.8	173.4	0	0	0	113	T58 L59	T58-L62 HydrophobicContact CG2-CD1 4.32Å; T58-L62 WeakPolarHBondContact O-CG 3.42Å; T58-L62 PolarHBondContact O-N 2.73Å; L59-L62 PolarHBondContact O-N 2.76Å; L59-L62 VanDerWaalsContact O-N 3.17Å
63	L	71	Confident	68.4	Low	35 Å²	35	107.4 Å²	107.4	18%	0.183	58%	0.575	C	S	.	*	S	Bend	trans	-76.9	130.8	176.2	-67.8	172.2	0	0	0	110.5	L59 K65 M75 S78 M82	L59-L63 WeakPolarHBondContact O-CG 3.32Å; L59-L63 PolarHBondContact O-N 3.4Å; L59-L63 VanDerWaalsContact O-N 3.11Å; L63-K65 PolarHBondContact O-N 3.4Å; L63-M75 HydrophobicContact CD1-CE 3.95Å; L63-M75 HydrophobicContact CD1-SD 4.17Å; L63-S78 WeakPolarHBondContact CD1-OG 3.15Å; L63-S78 VanDerWaalsContact CD2-OG 3.25Å; L63-S78 WeakPolarHBondContact CD2-OG 3.17Å; L63-M82 HydrophobicContact CD2-CE 3.84Å; L63-M82 HydrophobicContact CD2-SD 4.02Å; L63-M82 HydrophobicContact CG-CE 4.35Å
64	P	65.3	Low	66.8	Low	120 Å²	120	106.6 Å²	106.6	78%	0.779	58%	0.575	S	S	*	*			trans	-60.7	123.7	176.9	23.4	-31.5	0	0	0	110	K66	P64-K66 PolarHBondContact O-N 3.11Å
65	K	61.1	Low	65.4	Low	211 Å²	211	104.3 Å²	104.3	92%	0.917	56%	0.555	S	S	*	*			trans	-61.5	89	-172.6	-64.2	175	-178.7	172.2	0	112.2	L63	L63-K65 PolarHBondContact O-N 3.4Å
66	K	50.3	Low	64	Low	185 Å²	185	106.3 Å²	106.3	80%	0.804	56%	0.562	S	S	*	*			trans	-86.5	109.5	154	-160.3	168.6	-177.4	169.1	0	106.5	P64 E68	P64-K66 PolarHBondContact O-N 3.11Å; K66-E68 VanDerWaalsContact C-N 3.26Å; K66-E68 PolarHBondContact O-N 2.95Å
67	G	55.6	Low	62.6	Low	88 Å²	88	111.3 Å²	111.3	91%	0.907	58%	0.584	S	S	*	*			trans	-66.3	65.4	-164.8	0	0	0	0	0	116.2
68	E	51.6	Low	60.9	Low	152 Å²	152	106.7 Å²	106.7	71%	0.71	57%	0.566	S	S	*	*	S	Bend	trans	-127.3	136	178.3	-149	168.2	159	0	0	110.4	K66 M70	K66-E68 VanDerWaalsContact C-N 3.26Å; K66-E68 PolarHBondContact O-N 2.95Å; E68-M70 PolarHBondContact O-N 3.43Å
69	K	52.7	Low	59.2	Low	207 Å²	207	104.8 Å²	104.8	90%	0.9	56%	0.556	S	S	*	*			trans	-59.5	95	176.3	-81.4	166.1	171.2	168.9	0	109.1	S71	K69-S71 PolarHBondContact O-N 3.22Å
70	M	50.7	Low	57.5	Low	81 Å²	81	107.2 Å²	107.2	40%	0.399	58%	0.575	S	S	.	*			trans	-71.6	97.5	178.7	-66.4	-70.9	-88.9	0	0	110.1	E68 S74	E68-M70 PolarHBondContact O-N 3.43Å; M70-S74 WeakPolarHBondContact CE-OG 3.37Å
71	S	54.3	Low	56.1	Low	81 Å²	81	105.6 Å²	105.6	57%	0.566	58%	0.579	S	S	*	*			trans	-49.6	144.5	166.8	-58.5	0	0	0	0	110.2	K69 V73 S74	K69-S71 PolarHBondContact O-N 3.22Å; S71-V73 PolarHBondContact O-N 2.96Å; S71-S74 PolarHBondContact O-N 2.95Å
72	K	55.9	Low	54.7	Low	176 Å²	176	104.4 Å²	104.4	77%	0.765	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-45.7	-18.8	-174.2	-139.4	174.6	-178	-178	0	115.4
73	V	59.7	Low	53.7	Low	117 Å²	117	104.1 Å²	104.1	71%	0.709	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.5	-21.5	-177.4	-108.8	0	0	0	0	115.8	S71 P76	S71-V73 PolarHBondContact O-N 2.96Å; V73-P76 WeakPolarHBondContact O-CD 3.45Å
74	S	55.5	Low	52.9	Low	52 Å²	52	108.6 Å²	108.6	36%	0.364	60%	0.596	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.8	-23.9	-173.8	-171.1	0	0	0	0	113.8	M70 S71 F77	M70-S74 WeakPolarHBondContact CE-OG 3.37Å; S71-S74 PolarHBondContact O-N 2.95Å; S74-F77 PolarHBondContact O-N 3.1Å
75	M	53.1	Low	52	Low	4 Å²	4	109.5 Å²	109.5	2%	0.02	59%	0.59	C	S	.	*	H	α-helix	trans	-62.8	-40	-178.1	-72.4	-61.3	-50.7	0	0	116.8	F56 L59 R60 L63 F77 S78 C79	F56-M75 HydrophobicContact CD1-CB 3.91Å; F56-M75 HydrophobicContact CD1-CE 4.24Å; F56-M75 HydrophobicContact CD1-CG 4.23Å; F56-M75 HydrophobicContact CE1-CB 3.72Å; F56-M75 HydrophobicContact CE1-CG 4.5Å; L59-M75 HydrophobicContact CB-CE 3.81Å; R60-M75 HydrophobicContact CG-CE 4.15Å; R60-M75 HydrophobicContact CG-SD 3.94Å; L63-M75 HydrophobicContact CD1-CE 3.95Å; L63-M75 HydrophobicContact CD1-SD 4.17Å; M75-F77 PolarHBondContact O-N 2.99Å; M75-S78 PolarHBondContact O-N 2.84Å; M75-C79 PolarHBondContact O-N 3.24Å; M75-C79 VanDerWaalsContact O-N 3.14Å
76	P	56	Low	51.2	Low	74 Å²	74	103 Å²	103	48%	0.481	58%	0.582	S	S	.	*	H	α-helix	trans	-62.7	-33	-179.1	23	-32.9	0	0	0	112.4	V73 C80	V73-P76 WeakPolarHBondContact O-CD 3.45Å; P76-C80 PolarHBondContact O-N 2.92Å
77	F	47.7	Very low	51.3	Low	171 Å²	171	101.7 Å²	101.7	75%	0.75	58%	0.579	S	S	*	*	H	α-helix	trans	-67.7	-44.9	176.6	-96.9	-87	0	0	0	112.3	S74 M75 C79 C80	S74-F77 PolarHBondContact O-N 3.1Å; M75-F77 PolarHBondContact O-N 2.99Å; F77-C79 VanDerWaalsContact C-N 3.34Å; F77-C79 PolarHBondContact O-N 2.87Å; F77-C80 PolarHBondContact O-N 2.73Å
78	S	48.8	Very low	51.2	Low	35 Å²	35	103 Å²	103	25%	0.245	57%	0.572	C	S	.	*	H	α-helix	trans	-69.2	-31.4	-178.5	-166.3	0	0	0	0	112.9	L63 M75	L63-S78 WeakPolarHBondContact CD1-OG 3.15Å; L63-S78 VanDerWaalsContact CD2-OG 3.25Å; L63-S78 WeakPolarHBondContact CD2-OG 3.17Å; M75-S78 PolarHBondContact O-N 2.84Å
79	C	46.4	Very low	51.7	Low	30 Å²	30	102 Å²	102	20%	0.203	57%	0.571	C	S	.	*	H	α-helix	trans	-76.1	-33.2	178.5	-159.6	0	0	0	0	112.6	L59 M75 F77 V81 M82 V83	L59-C79 HydrophobicContact CD1-CB 4.12Å; L59-C79 WeakPolarHBondContact CD1-SG 3.25Å; L59-C79 WeakPolarHBondContact CD2-SG 3.1Å; M75-C79 PolarHBondContact O-N 3.24Å; M75-C79 VanDerWaalsContact O-N 3.14Å; F77-C79 VanDerWaalsContact C-N 3.34Å; F77-C79 PolarHBondContact O-N 2.87Å; C79-V81 PolarHBondContact O-N 3.31Å; C79-M82 PolarHBondContact O-N 3.5Å; C79-M82 VanDerWaalsContact O-N 3.15Å; C79-V83 WeakPolarHBondContact O-CG2 3.23Å; C79-V83 PolarHBondContact O-N 3.2Å; C79-V83 VanDerWaalsContact O-N 3.17Å
80	C	43.3	Very low	52.3	Low	90 Å²	90	95.1 Å²	95.1	61%	0.608	55%	0.548	S	S	*	.	H	α-helix	trans	-59	-35.4	173.6	-103.9	0	0	0	0	112.4	P76 F77 M82 V84	P76-C80 PolarHBondContact O-N 2.92Å; F77-C80 PolarHBondContact O-N 2.73Å; C80-M82 VanDerWaalsContact C-N 3.31Å; C80-M82 PolarHBondContact O-N 3.47Å; C80-V84 WeakPolarHBondContact O-CG2 3.42Å
81	V	48.4	Very low	52.7	Low	98 Å²	98	95.9 Å²	95.9	59%	0.594	56%	0.562	S	S	*	*	H	α-helix	trans	-66.5	-33.3	177.9	178.6	0	0	0	0	111.9	C79	C79-V81 PolarHBondContact O-N 3.31Å
82	M	48	Very low	53.2	Low	67 Å²	67	95 Å²	95	33%	0.33	56%	0.559	S	S	.	*	H	α-helix	trans	-81	-32.5	-179.8	-64.7	-166.9	-67.6	0	0	113.1	L59 L63 C79 C80 V84 Q85	L59-M82 HydrophobicContact CD2-CE 3.77Å; L63-M82 HydrophobicContact CD2-CE 3.84Å; L63-M82 HydrophobicContact CD2-SD 4.02Å; L63-M82 HydrophobicContact CG-CE 4.35Å; C79-M82 PolarHBondContact O-N 3.5Å; C79-M82 VanDerWaalsContact O-N 3.15Å; C80-M82 VanDerWaalsContact C-N 3.31Å; C80-M82 PolarHBondContact O-N 3.47Å; M82-V84 VanDerWaalsContact C-N 3.29Å; M82-V84 PolarHBondContact O-N 3.3Å; M82-Q85 PolarHBondContact O-N 3.14Å; M82-Q85 VanDerWaalsContact O-N 3.13Å; M82-Q85 VanDerWaalsContact O-O 3.07Å
83	V	53.4	Low	53.7	Low	113 Å²	113	90.3 Å²	90.3	69%	0.685	54%	0.542	S	S	*	.	H	α-helix	trans	-69.4	-26.6	179.6	176.5	0	0	0	0	112.4	C79 Q85	C79-V83 WeakPolarHBondContact O-CG2 3.23Å; C79-V83 PolarHBondContact O-N 3.2Å; C79-V83 VanDerWaalsContact O-N 3.17Å; V83-Q85 PolarHBondContact O-N 3.24Å
84	V	54	Low	53.8	Low	129 Å²	129	89 Å²	89	78%	0.782	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-23	173.5	175.5	0	0	0	0	111.8	C80 M82	C80-V84 WeakPolarHBondContact O-CG2 3.42Å; M82-V84 VanDerWaalsContact C-N 3.29Å; M82-V84 PolarHBondContact O-N 3.3Å
85	Q	45.8	Very low	54.2	Low	138 Å²	138	89.7 Å²	89.7	65%	0.645	54%	0.539	S	S	*	.	S	Bend	trans	-96.7	93.8	173.7	-59	-161.2	5.4	0	0	109	M82 V83 Q87	M82-Q85 PolarHBondContact O-N 3.14Å; M82-Q85 VanDerWaalsContact O-N 3.13Å; M82-Q85 VanDerWaalsContact O-O 3.07Å; V83-Q85 PolarHBondContact O-N 3.24Å; Q85-Q87 PolarHBondContact O-N 3.3Å
86	G	45.2	Very low	54.7	Low	74 Å²	74	92.3 Å²	92.3	76%	0.763	56%	0.561	S	S	*	*			trans	-58.5	79.5	-168.1	0	0	0	0	0	116.6
87	Q	51.1	Low	55	Low	159 Å²	159	95.4 Å²	95.4	74%	0.743	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-92.3	125.3	170.8	-65.2	-67	-34.7	0	0	109.6	Q85 L89	Q85-Q87 PolarHBondContact O-N 3.3Å; Q87-L89 PolarHBondContact O-N 2.84Å
88	P	52.7	Low	55.7	Low	116 Å²	116	95.2 Å²	95.2	75%	0.753	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-65.6	118.5	176.1	26.3	-31.6	0	0	0	109.2	S90	P88-S90 PolarHBondContact O-N 3.11Å; P88-S90 VanDerWaalsContact O-N 3.12Å
89	L	62.5	Low	56.3	Low	131 Å²	131	97 Å²	97	69%	0.686	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-55.7	120.5	169.1	-70.5	170.1	0	0	0	107.8	Q87 I93	Q87-L89 PolarHBondContact O-N 2.84Å; L89-I93 HydrophobicContact CD2-CD1 4.05Å
90	S	65.8	Low	56.9	Low	61 Å²	61	98.7 Å²	98.7	43%	0.427	59%	0.586	S	S	.	*	P	Polyproline II helix	trans	-55.5	144.6	-176	66.3	0	0	0	0	110.8	P88 A92 I93 V94	P88-S90 PolarHBondContact O-N 3.11Å; P88-S90 VanDerWaalsContact O-N 3.12Å; S90-A92 PolarHBondContact O-N 3.34Å; S90-I93 PolarHBondContact O-N 3.46Å; S90-V94 PolarHBondContact O-N 2.92Å
91	S	60.1	Low	57.7	Low	97 Å²	97	96.7 Å²	96.7	68%	0.678	57%	0.57	S	S	*	*	H	α-helix	trans	-52.1	-25.4	174.1	56.1	0	0	0	0	112.5	V94 S95	S91-V94 PolarHBondContact O-N 2.67Å; S91-S95 WeakPolarHBondContact O-CB 2.99Å; S91-S95 PolarHBondContact O-N 3.02Å; S91-S95 PolarHBondContact O-OG 3.17Å
92	A	63.7	Low	57.9	Low	62 Å²	62	100.2 Å²	100.2	51%	0.512	57%	0.572	S	S	.	*	H	α-helix	trans	-64.2	-39.5	173.5	0	0	0	0	0	113.1	S90 A96	S90-A92 PolarHBondContact O-N 3.34Å; A92-A96 WeakPolarHBondContact O-CB 3.38Å; A92-A96 PolarHBondContact O-N 3.19Å
93	I	65.5	Low	58	Low	79 Å²	79	100.9 Å²	100.9	41%	0.405	58%	0.583	S	S	.	*	H	α-helix	trans	-68.7	-44.1	177.3	-64.5	169.1	0	0	0	109.8	L89 S90 S95 A96 W97	L89-I93 HydrophobicContact CD2-CD1 4.05Å; S90-I93 PolarHBondContact O-N 3.46Å; I93-S95 VanDerWaalsContact C-N 3.35Å; I93-A96 PolarHBondContact O-N 3.39Å; I93-W97 VanDerWaalsContact O-CB 3.31Å; I93-W97 WeakPolarHBondContact O-CB 3.26Å; I93-W97 PolarHBondContact O-N 3.45Å
94	V	62.8	Low	57.8	Low	88 Å²	88	101.2 Å²	101.2	53%	0.533	58%	0.581	S	S	.	*	H	α-helix	trans	-63.8	-42.5	177.5	180	0	0	0	0	110.9	S90 S91 W97 R98	S90-V94 PolarHBondContact O-N 2.92Å; S91-V94 PolarHBondContact O-N 2.67Å; V94-W97 PolarHBondContact O-N 2.96Å; V94-R98 WeakPolarHBondContact O-CB 3.48Å; V94-R98 PolarHBondContact O-N 3.32Å
95	S	64.1	Low	57.4	Low	67 Å²	67	98.3 Å²	98.3	47%	0.469	57%	0.567	S	S	.	*	H	α-helix	trans	-68.9	-42.2	178.2	-58.4	0	0	0	0	111.7	S91 I93 W97 R98 S99	S91-S95 WeakPolarHBondContact O-CB 2.99Å; S91-S95 PolarHBondContact O-N 3.02Å; S91-S95 PolarHBondContact O-OG 3.17Å; I93-S95 VanDerWaalsContact C-N 3.35Å; S95-W97 VanDerWaalsContact C-N 3.32Å; S95-W97 PolarHBondContact O-N 3.21Å; S95-R98 PolarHBondContact O-N 2.87Å; S95-S99 WeakPolarHBondContact O-CB 3.34Å; S95-S99 PolarHBondContact O-N 3.46Å; S95-S99 PolarHBondContact O-OG 3.12Å
96	A	63.9	Low	57.3	Low	60 Å²	60	96.6 Å²	96.6	50%	0.496	57%	0.57	S	S	.	*	H	α-helix	trans	-63.3	-39.4	174.7	0	0	0	0	0	111.6	A92 I93 A100	A92-A96 WeakPolarHBondContact O-CB 3.38Å; A92-A96 PolarHBondContact O-N 3.19Å; I93-A96 PolarHBondContact O-N 3.39Å; A96-A100 WeakPolarHBondContact O-CB 3.31Å; A96-A100 PolarHBondContact O-N 3.44Å
97	W	62.3	Low	57.4	Low	139 Å²	139	98 Å²	98	53%	0.527	57%	0.566	S	S	.	*	H	α-helix	trans	-66.4	-42.7	174.9	-165.9	84.6	0	0	0	111.4	I93 V94 S95 N101	I93-W97 VanDerWaalsContact O-CB 3.31Å; I93-W97 WeakPolarHBondContact O-CB 3.26Å; I93-W97 PolarHBondContact O-N 3.45Å; V94-W97 PolarHBondContact O-N 2.96Å; S95-W97 VanDerWaalsContact C-N 3.32Å; S95-W97 PolarHBondContact O-N 3.21Å; W97-N101 WeakPolarHBondContact CH2-ND2 3.34Å; W97-N101 WeakPolarHBondContact CZ2-ND2 3.43Å; W97-N101 WeakPolarHBondContact O-CB 3.14Å; W97-N101 PolarHBondContact O-N 2.81Å
98	R	62.3	Low	57.3	Low	166 Å²	166	96.5 Å²	96.5	63%	0.626	57%	0.568	S	S	*	*	H	α-helix	trans	-63.9	-45.8	176.4	-169.8	176.5	-125.1	-167.7	0.6	111.7	V94 S95 W102	V94-R98 WeakPolarHBondContact O-CB 3.48Å; V94-R98 PolarHBondContact O-N 3.32Å; S95-R98 PolarHBondContact O-N 2.87Å; R98-W102 HydrophobicContact CG-CE3 4.29Å; R98-W102 WeakPolarHBondContact O-CB 3.47Å; R98-W102 PolarHBondContact O-N 3.28Å
99	S	60.7	Low	57	Low	74 Å²	74	97 Å²	97	52%	0.517	57%	0.569	S	S	.	*	H	α-helix	trans	-62.9	-54.7	175.8	-68.1	0	0	0	0	110.6	S95 N101 W102 S103	S95-S99 WeakPolarHBondContact O-CB 3.34Å; S95-S99 PolarHBondContact O-N 3.46Å; S95-S99 PolarHBondContact O-OG 3.12Å; S99-N101 PolarHBondContact O-N 2.81Å; S99-N101 VanDerWaalsContact O-N 3.1Å; S99-W102 PolarHBondContact O-N 2.87Å; S99-S103 VanDerWaalsContact O-CB 3.23Å; S99-S103 WeakPolarHBondContact O-CB 3.49Å; S99-S103 PolarHBondContact O-N 3.24Å; S99-S103 PolarHBondContact O-OG 3.43Å
100	A	59.6	Low	56.3	Low	65 Å²	65	94.2 Å²	94.2	54%	0.537	56%	0.557	S	S	.	*	H	α-helix	trans	-58.1	-31.6	-178.6	0	0	0	0	0	113.7	A96	A96-A100 WeakPolarHBondContact O-CB 3.31Å; A96-A100 PolarHBondContact O-N 3.44Å
101	N	58.7	Low	55.2	Low	47 Å²	47	97.3 Å²	97.3	25%	0.251	58%	0.576	S	S	.	*	H	α-helix	trans	-88.6	-32.2	-177.6	-148.8	5.5	0	0	0	112.9	R47 W97 S99	R47-N101 PolarHBondContact NH1-O 3.04Å; R47-N101 VanDerWaalsContact NH1-O 3.16Å; W97-N101 WeakPolarHBondContact CH2-ND2 3.34Å; W97-N101 WeakPolarHBondContact CZ2-ND2 3.43Å; W97-N101 WeakPolarHBondContact O-CB 3.14Å; W97-N101 PolarHBondContact O-N 2.81Å; S99-N101 PolarHBondContact O-N 2.81Å; S99-N101 VanDerWaalsContact O-N 3.1Å
102	W	53.2	Low	54.6	Low	173 Å²	173	95.7 Å²	95.7	66%	0.655	56%	0.559	S	S	*	*	H	α-helix	trans	-98.6	-29.3	-174.1	-144.9	-54.4	0	0	0	113.5	R98 S99 N104 S105	R98-W102 HydrophobicContact CG-CE3 4.29Å; R98-W102 WeakPolarHBondContact O-CB 3.47Å; R98-W102 PolarHBondContact O-N 3.28Å; S99-W102 PolarHBondContact O-N 2.87Å; W102-N104 VanDerWaalsContact C-N 3.33Å; W102-N104 PolarHBondContact O-N 3.17Å; W102-S105 PolarHBondContact O-N 3.44Å
103	S	51.4	Low	53.6	Low	80 Å²	80	98.4 Å²	98.4	56%	0.559	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	-5.5	-171.1	68.9	0	0	0	0	115.5	S99	S99-S103 VanDerWaalsContact O-CB 3.23Å; S99-S103 WeakPolarHBondContact O-CB 3.49Å; S99-S103 PolarHBondContact O-N 3.24Å; S99-S103 PolarHBondContact O-OG 3.43Å
104	N	48.7	Very low	52.8	Low	120 Å²	120	106 Å²	106	64%	0.642	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.5	9.7	170.8	-80.4	-9	0	0	0	113.6	W102 S106	W102-N104 VanDerWaalsContact C-N 3.33Å; W102-N104 PolarHBondContact O-N 3.17Å; N104-S106 PolarHBondContact O-N 3.44Å
105	S	45.8	Very low	52.2	Low	68 Å²	68	110.1 Å²	110.1	48%	0.476	60%	0.601	S	S	.	*			trans	-87.7	52.9	170.1	-56.1	0	0	0	0	110.2	R47 W102 P107	R47-S105 PolarHBondContact NH1-OG 2.89Å; W102-S105 PolarHBondContact O-N 3.44Å; S105-P107 VanDerWaalsContact O-CD 3.32Å; S105-P107 WeakPolarHBondContact O-CD 3.25Å
106	S	42.4	Very low	51.3	Low	102 Å²	102	113 Å²	113	71%	0.713	61%	0.611	S	S	*	*			trans	-72.2	116.5	155.5	-85.1	0	0	0	0	106.1	N104 T108	N104-S106 PolarHBondContact O-N 3.44Å; S106-T108 PolarHBondContact O-N 3.34Å
107	P	48.9	Very low	50.2	Low	105 Å²	105	118.5 Å²	118.5	68%	0.682	62%	0.619	S	S	*	*			trans	-63.7	111	171.8	26.7	-29.1	0	0	0	106.1	S105 T109	S105-P107 VanDerWaalsContact O-CD 3.32Å; S105-P107 WeakPolarHBondContact O-CD 3.25Å; P107-T109 PolarHBondContact O-N 3.17Å
108	T	48.1	Very low	49	Very low	126 Å²	126	114.7 Å²	114.7	77%	0.773	62%	0.623	S	S	*	*			trans	-58.4	100.6	151.9	39.1	0	0	0	0	104.9	S106 V110	S106-T108 PolarHBondContact O-N 3.34Å; T108-V110 WeakPolarHBondContact O-CG2 3.5Å; T108-V110 PolarHBondContact O-N 3.15Å
109	T	46.6	Very low	48	Very low	128 Å²	128	113.6 Å²	113.6	79%	0.785	63%	0.629	S	S	*	*			trans	-64.2	77.7	175.4	-57.6	0	0	0	0	108	P107	P107-T109 PolarHBondContact O-N 3.17Å
110	V	46.7	Very low	47.1	Very low	71 Å²	71	117.2 Å²	117.2	43%	0.43	64%	0.638	S	S	.	*			trans	-80.7	128.8	153.5	-106.3	0	0	0	0	105.7	T108 I112	T108-V110 WeakPolarHBondContact O-CG2 3.5Å; T108-V110 PolarHBondContact O-N 3.15Å; V110-I112 HydrophobicContact CB-CG1 4.4Å; V110-I112 HydrophobicContact CG2-CD1 4.4Å; V110-I112 HydrophobicContact CG2-CG1 4.33Å; V110-I112 PolarHBondContact O-N 3.23Å
111	P	42.8	Very low	46.6	Very low	127 Å²	127	126 Å²	126	83%	0.825	66%	0.657	S	S	*	*			trans	-68.1	80.5	174.6	28.8	-33.1	0	0	0	108.8	N113	P111-N113 PolarHBondContact O-N 3.32Å
112	I	48.8	Very low	46	Very low	62 Å²	62	131.3 Å²	131.3	32%	0.318	68%	0.678	S	S	.	*			trans	-73.8	112.3	170	-59.9	174.5	0	0	0	105.6	V110 R114	V110-I112 HydrophobicContact CB-CG1 4.4Å; V110-I112 HydrophobicContact CG2-CD1 4.4Å; V110-I112 HydrophobicContact CG2-CG1 4.33Å; V110-I112 PolarHBondContact O-N 3.23Å; I112-R114 PolarHBondContact O-N 2.84Å
113	N	42.3	Very low	45.3	Very low	119 Å²	119	130.6 Å²	130.6	64%	0.636	68%	0.676	S	S	*	*			trans	-47.6	105.4	175.9	-143.3	-38.8	0	0	0	109.1	P111 H115 L116	P111-N113 PolarHBondContact O-N 3.32Å; N113-H115 PolarHBondContact O-N 3.49Å; N113-L116 PolarHBondContact O-N 3.42Å
114	R	48.5	Very low	44.8	Very low	238 Å²	238	136.1 Å²	136.1	90%	0.898	69%	0.691	S	S	*	*	G	3₁₀ helix	trans	-59	-8.8	-173.6	-103.7	-176.4	-170.7	-165	3.8	113.7	I112	I112-R114 PolarHBondContact O-N 2.84Å
115	H	49.6	Very low	44.3	Very low	175 Å²	175	137.5 Å²	137.5	81%	0.81	70%	0.697	S	S	*	*	G	3₁₀ helix	trans	-85.4	-6.1	-179.1	-119.1	66.5	0	0	0	115.1	N113	N113-H115 PolarHBondContact O-N 3.49Å
116	L	45.3	Very low	43.9	Very low	129 Å²	129	142.6 Å²	142.6	68%	0.675	71%	0.711	S	S	*	*	G	3₁₀ helix	trans	-103.3	2.3	-179.2	-76.2	166.9	0	0	0	114.6	N113	N113-L116 PolarHBondContact O-N 3.42Å
117	W	40.6	Very low	44.1	Very low	174 Å²	174	142.9 Å²	142.9	66%	0.659	71%	0.71	S	S	*	*	S	Bend	trans	-104.8	73	170.1	-74.8	62.4	0	0	0	108.4	D119	W117-D119 PolarHBondContact O-N 2.98Å; W117-D119 VanDerWaalsContact O-N 3.15Å
118	G	37.1	Very low	43.6	Very low	59 Å²	59	147 Å²	147	61%	0.608	72%	0.718	S	S	*	*			trans	-57.1	116.2	168.6	0	0	0	0	0	110.3	H120	G118-H120 VanDerWaalsContact C-N 3.34Å; G118-H120 PolarHBondContact O-N 2.87Å
119	D	41.7	Very low	43.2	Very low	143 Å²	143	149 Å²	149	77%	0.765	72%	0.723	S	S	*	*			trans	19.6	56.8	147.9	-76.2	-34.8	0	0	0	119	W117 R121	W117-D119 PolarHBondContact O-N 2.98Å; W117-D119 VanDerWaalsContact O-N 3.15Å; D119-R121 VanDerWaalsContact C-N 3.29Å; D119-R121 PolarHBondContact O-N 3.49Å
120	H	43.3	Very low	42.8	Very low	150 Å²	150	149.8 Å²	149.8	69%	0.694	72%	0.721	S	S	*	*			trans	-94.1	30.5	168.5	-110	-102.9	0	0	0	113.8	G118 K122 Y123	G118-H120 VanDerWaalsContact C-N 3.34Å; G118-H120 PolarHBondContact O-N 2.87Å; H120-K122 PolarHBondContact O-N 2.71Å; H120-Y123 AromaticContact CE1-CD2 3.46Å; H120-Y123 VanDerWaalsContact CE1-CD2 3.46Å; H120-Y123 WeakPolarHBondContact CE1-CD2 3.48Å; H120-Y123 AromaticContact CE1-CE2 3.32Å; H120-Y123 WeakPolarHBondContact CE1-CE2 3.21Å; H120-Y123 AromaticContact ND1-CD2 3.46Å; H120-Y123 WeakPolarHBondContact ND1-CD2 3.48Å; H120-Y123 AromaticContact ND1-CE2 3.75Å; H120-Y123 AromaticContact NE2-CE2 3.99Å
121	R	47.6	Very low	42.4	Very low	250 Å²	250	151.6 Å²	151.6	94%	0.943	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.6	25.2	166.5	-108.1	-171	-157.7	-122.7	5.2	113.9	D119	D119-R121 VanDerWaalsContact C-N 3.29Å; D119-R121 PolarHBondContact O-N 3.49Å
122	K	46	Very low	42.3	Very low	159 Å²	159	150.5 Å²	150.5	69%	0.691	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.9	4.5	-165.7	-71.6	-172.9	179.6	174.5	0	117.4	H120	H120-K122 PolarHBondContact O-N 2.71Å
123	Y	40	Very low	42	Very low	158 Å²	158	155.5 Å²	155.5	62%	0.62	76%	0.755	S	S	*	*			trans	-138.7	73.3	179.9	-54.8	-79.9	0	0	0	113.5	H120 L125	H120-Y123 AromaticContact CE1-CD2 3.46Å; H120-Y123 VanDerWaalsContact CE1-CD2 3.46Å; H120-Y123 WeakPolarHBondContact CE1-CD2 3.48Å; H120-Y123 AromaticContact CE1-CE2 3.32Å; H120-Y123 WeakPolarHBondContact CE1-CE2 3.21Å; H120-Y123 AromaticContact ND1-CD2 3.46Å; H120-Y123 WeakPolarHBondContact ND1-CD2 3.48Å; H120-Y123 AromaticContact ND1-CE2 3.75Å; H120-Y123 AromaticContact NE2-CE2 3.99Å; Y123-L125 HydrophobicContact CD1-CD1 4.45Å
124	F	40.4	Very low	41.8	Very low	196 Å²	196	154.6 Å²	154.6	86%	0.86	76%	0.758	S	S	*	*			trans	-121	75.7	144.7	-104.3	-86.3	0	0	0	107	F126	F124-F126 HydrophobicContact CD1-CD2 4.48Å; F124-F126 PolarHBondContact O-N 3.41Å
125	L	38.5	Very low	41.5	Very low	148 Å²	148	148.2 Å²	148.2	78%	0.775	75%	0.749	S	S	*	*			trans	-75.1	103.3	161.1	-89.6	96.2	0	0	0	107.2	Y123 P127	Y123-L125 HydrophobicContact CD1-CD1 4.45Å; L125-P127 WeakPolarHBondContact O-CD 3.45Å
126	F	36.9	Very low	41.1	Very low	176 Å²	176	144.9 Å²	144.9	77%	0.772	75%	0.746	S	S	*	*			trans	-73.2	121.2	161.3	-113.1	-94	0	0	0	108.1	F124 K128	F124-F126 HydrophobicContact CD1-CD2 4.48Å; F124-F126 PolarHBondContact O-N 3.41Å; F126-K128 PolarHBondContact O-N 3.44Å
127	P	47.3	Very low	41.1	Very low	107 Å²	107	146 Å²	146	70%	0.695	75%	0.752	S	S	*	*			trans	-69.1	115.9	170	-11.9	27.5	0	0	0	108.7	L125 L129	L125-P127 WeakPolarHBondContact O-CD 3.45Å; P127-L129 PolarHBondContact O-N 3.33Å
128	K	36.9	Very low	40.8	Very low	193 Å²	193	143 Å²	143	84%	0.839	76%	0.757	S	S	*	*			trans	-57	112	154.2	-81.7	-171.2	171.8	177.8	0	107.6	F126	F126-K128 PolarHBondContact O-N 3.44Å
129	L	41.3	Very low	41.1	Very low	167 Å²	167	145.1 Å²	145.1	87%	0.874	76%	0.763	S	S	*	*			trans	-98.4	98.6	154.7	-83.8	163.9	0	0	0	107.5	P127 S131	P127-L129 PolarHBondContact O-N 3.33Å; L129-S131 PolarHBondContact O-N 3.18Å
130	L	37.8	Very low	41.3	Very low	144 Å²	144	145.8 Å²	145.8	75%	0.754	77%	0.766	S	S	*	*			trans	-49.7	128.3	154.6	-99.9	63.5	0	0	0	108.4
131	S	38.7	Very low	40.9	Very low	109 Å²	109	143 Å²	143	76%	0.762	77%	0.768	S	S	*	*				173.6	132.9	102.1	53.3	0	0	0	0	111.6	L129	L129-S131 PolarHBondContact O-N 3.18Å
132	S	40.2	Very low	40.3	Very low	105 Å²	105	135.6 Å²	135.6	73%	0.734	76%	0.761	S	S	*	*			trans	86.2	123.4	140.7	-119.4	0	0	0	0	120.1
133	Q	42.9	Very low	39.9	Very low	167 Å²	167	134 Å²	134	78%	0.78	77%	0.768	S	S	*	*			trans	87.7	93.1	154.8	-52.6	-165.2	30.4	0	0	114.8
134	S	37.7	Very low	39.8	Very low	100 Å²	100	135.3 Å²	135.3	70%	0.699	79%	0.785	S	S	*	*				58.1	122.2	90.6	69.5	0	0	0	0	110.3
135	S	41.3	Very low	40.1	Very low	103 Å²	103	132.2 Å²	132.2	72%	0.72	78%	0.782	S	S	*	*			cis	179	152.7	34.3	19.6	0	0	0	0	106.8
136	S	42.1	Very low	40.2	Very low	106 Å²	106	136.6 Å²	136.6	74%	0.741	79%	0.788	S	S	*	*			trans	78.1	141	157.6	88.4	0	0	0	0	119.5
137	L	44.4	Very low	40	Very low	152 Å²	152	131 Å²	131	80%	0.796	78%	0.78	S	S	*	*			trans	84	76.6	167.9	-47	178.3	0	0	0	115
138	S	34.7	Very low	39.9	Very low	110 Å²	110	133 Å²	133	77%	0.769	79%	0.785	S	S	*	*				47.6	76.4	71.9	81.6	0	0	0	0	114.2
139	S	42.6	Very low	40	Very low	105 Å²	105	132.8 Å²	132.8	73%	0.734	79%	0.787	S	S	*	*			trans	-172.5	121.2	142	-133.3	0	0	0	0	111.4
140	L	45.9	Very low	40.1	Very low	157 Å²	157	129.9 Å²	129.9	82%	0.822	78%	0.781	S	S	*	*			trans	67.6	83.6	154.8	-52.2	169.3	0	0	0	115.4
141	A	36.5	Very low	40.1	Very low	91 Å²	91	128 Å²	128	75%	0.752	78%	0.78	S	S	*	*				51.5	119	72.8	0	0	0	0	0	113.7
142	A	34.7	Very low	40.3	Very low	95 Å²	95	128.8 Å²	128.8	79%	0.785	78%	0.78	S	S	*	*			trans	60	108.5	146	0	0	0	0	0	118
143	C	36.8	Very low	40.2	Very low	125 Å²	125	128.2 Å²	128.2	85%	0.845	78%	0.776	S	S	*	*				178.4	72.1	125.2	-87.4	0	0	0	0	110
144	L	37.9	Very low	40.2	Very low	185 Å²	185	128.2 Å²	128.2	97%	0.969	78%	0.779	S	S	*	*			trans	-99.8	76.6	154.8	-79.5	169.4	0	0	0	107.2
145	V	46.8	Very low	40.7	Very low	131 Å²	131	130.4 Å²	130.4	79%	0.794	78%	0.783	S	S	*	*			trans	-117.9	100.9	161.5	169.7	0	0	0	0	105.4	G147	V145-G147 VanDerWaalsContact C-N 3.29Å; V145-G147 PolarHBondContact O-N 3.12Å
146	W	40.1	Very low	40.4	Very low	241 Å²	241	136 Å²	136	91%	0.913	79%	0.788	S	S	*	*			trans	-71.7	94.9	166.5	-157.5	-31.3	0	0	0	106.3	D148	W146-D148 PolarHBondContact O-N 3.02Å
147	G	33.4	Very low	40.2	Very low	59 Å²	59	136.6 Å²	136.6	61%	0.608	79%	0.792	S	S	*	*			trans	-72.2	107.7	166.7	0	0	0	0	0	108.7	V145	V145-G147 VanDerWaalsContact C-N 3.29Å; V145-G147 PolarHBondContact O-N 3.12Å
148	D	44.3	Very low	40.1	Very low	148 Å²	148	142.7 Å²	142.7	79%	0.791	82%	0.816	S	S	*	*			trans	-111.2	89	153.1	-167.2	25	0	0	0	106.6	W146	W146-D148 PolarHBondContact O-N 3.02Å
149	Q	39.1	Very low	40.4	Very low	189 Å²	189	144.3 Å²	144.3	88%	0.883	82%	0.818	S	S	*	*			trans	-116.6	87.9	173.3	-159.6	-175.3	107.7	0	0	106.8
150	S	44.7	Very low	40.3	Very low	106 Å²	106	146.4 Å²	146.4	74%	0.741	82%	0.823	S	S	*	*			trans	-150.6	65.5	148.4	54.3	0	0	0	0	110.3
151	S	36.4	Very low	40	Very low	105 Å²	105	145.8 Å²	145.8	73%	0.734	82%	0.823	S	S	*	*			trans	-40.5	121.5	134.9	-179.8	0	0	0	0	108.1
152	T	42.9	Very low	40.2	Very low	125 Å²	125	149 Å²	149	77%	0.767	83%	0.827	S	S	*	*				-177.7	143.2	70.9	43.2	0	0	0	0	103.7
153	S	38.7	Very low	40.5	Very low	92 Å²	92	152.4 Å²	152.4	64%	0.643	83%	0.829	S	S	*	*				-175.3	109.9	56.8	-148.5	0	0	0	0	105.5	D155	S153-D155 PolarHBondContact OG-OD2 3.13Å
154	I	44	Very low	40.8	Very low	167 Å²	167	154.2 Å²	154.2	86%	0.856	83%	0.828	S	S	*	*			trans	-114.6	93	156.7	-65.5	179.8	0	0	0	103.2	R156	I154-R156 PolarHBondContact O-N 2.73Å; I154-R156 VanDerWaalsContact O-N 3.11Å
155	D	46.9	Very low	41	Very low	146 Å²	146	152 Å²	152	78%	0.781	82%	0.818	S	S	*	*			trans	-61.6	112.8	167.9	-85.9	-62	0	0	0	108.2	S153	S153-D155 PolarHBondContact OG-OD2 3.13Å
156	R	35.9	Very low	40.5	Very low	220 Å²	220	153.6 Å²	153.6	83%	0.83	82%	0.82	S	S	*	*			trans	-72.8	148.9	158.7	-69.8	179	-178	167.2	0.8	108.5	I154	I154-R156 PolarHBondContact O-N 2.73Å; I154-R156 VanDerWaalsContact O-N 3.11Å
157	C	37.3	Very low	40.5	Very low	120 Å²	120	146.3 Å²	146.3	81%	0.811	81%	0.813	S	S	*	*			trans	131.1	117.3	132.1	-74.4	0	0	0	0	112.4
158	Q	43.1	Very low	41.2	Very low	279 Å²	279	154.3 Å²	154.3	100%	1.304	83%	0.831	S	S	*	*			trans	73.8	0	172.6	-71.8	-178.3	11.4	0	0	117.3

Retrieved 158 of 158 residues in 91.6 ms (Link to these results)

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