G4VAF2_SCHMA Loading...

RUN domain-containing protein

AlphaFold DB , UniProt , Accession G4VAF2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 242 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.1	Very low	50.9	Low	243 Å²	243	125 Å²	125	100%	1.197	67%	0.671	S	S	*	*				0	83	0	-75.7	-77.7	-172.1	0	0	106.9	D3	M1-D3 PolarHBondContact O-N 3.18Å
2	D	49	Very low	50.8	Low	169 Å²	169	124.2 Å²	124.2	90%	0.904	65%	0.651	S	S	*	*			trans	-75.5	103.5	170.2	-87.2	-55	0	0	0	107	P4	D2-P4 WeakPolarHBondContact O-CD 3.5Å
3	D	50.4	Low	51.1	Low	141 Å²	141	120.8 Å²	120.8	75%	0.754	63%	0.634	S	S	*	*			trans	-87.4	103.8	170.9	-165.1	4.3	0	0	0	107.7	M1 D5	M1-D3 PolarHBondContact O-N 3.18Å; D3-D5 PolarHBondContact O-N 3.46Å
4	P	53.6	Low	51.6	Low	92 Å²	92	116.4 Å²	116.4	60%	0.597	62%	0.624	S	S	*	*			trans	-73.8	99.7	-178.1	29.9	-32.7	0	0	0	109.4	D2 P6	D2-P4 WeakPolarHBondContact O-CD 3.5Å; P4-P6 VanDerWaalsContact O-CD 3.27Å; P4-P6 WeakPolarHBondContact O-CD 3.25Å
5	D	50.1	Low	52.1	Low	83 Å²	83	117.5 Å²	117.5	44%	0.444	62%	0.616	S	S	.	*			trans	-20.1	96.7	169.8	-101	-29.6	0	0	0	112.9	D3 L7 K8 N9	D3-D5 PolarHBondContact O-N 3.46Å; D5-L7 PolarHBondContact O-N 3.32Å; D5-L7 VanDerWaalsContact O-N 3.14Å; D5-K8 HydrophobicContact CB-CB 4.23Å; D5-K8 HydrophobicContact CB-CD 4.06Å; D5-K8 HydrophobicContact CB-CG 4.18Å; D5-K8 PolarHBondContact O-N 3.26Å; D5-K8 IonicContact OD2-NZ 3.63Å; D5-K8 PolarHBondContact OD2-NZ 3.24Å; D5-N9 PolarHBondContact O-N 3.35Å
6	P	54.7	Low	52.5	Low	83 Å²	83	118.9 Å²	118.9	54%	0.539	62%	0.615	S	S	.	*	H	α-helix	trans	-61.2	-30.4	-174.8	18	-29.2	0	0	0	111.7	P4 K8 N9 V10	P4-P6 VanDerWaalsContact O-CD 3.27Å; P4-P6 WeakPolarHBondContact O-CD 3.25Å; P6-K8 VanDerWaalsContact C-N 3.33Å; P6-K8 PolarHBondContact O-N 3.49Å; P6-N9 PolarHBondContact O-N 3.44Å; P6-V10 WeakPolarHBondContact O-CG2 3.19Å; P6-V10 PolarHBondContact O-N 3.37Å
7	L	49.8	Very low	52.8	Low	144 Å²	144	119.2 Å²	119.2	75%	0.754	61%	0.613	S	S	*	*	H	α-helix	trans	-62.9	-34.4	176.7	-67	171.7	0	0	0	113.2	D5 N11	D5-L7 PolarHBondContact O-N 3.32Å; D5-L7 VanDerWaalsContact O-N 3.14Å; L7-N11 PolarHBondContact O-N 3.43Å
8	K	50.7	Low	53.5	Low	125 Å²	125	116.5 Å²	116.5	54%	0.543	61%	0.606	S	S	.	*	H	α-helix	trans	-68.1	-46.7	174.3	-79.7	177.3	-175.4	130.7	0	109.9	D5 P6 V10 N11 W12	D5-K8 HydrophobicContact CB-CB 4.23Å; D5-K8 HydrophobicContact CB-CD 4.06Å; D5-K8 HydrophobicContact CB-CG 4.18Å; D5-K8 PolarHBondContact O-N 3.26Å; D5-K8 IonicContact OD2-NZ 3.63Å; D5-K8 PolarHBondContact OD2-NZ 3.24Å; P6-K8 VanDerWaalsContact C-N 3.33Å; P6-K8 PolarHBondContact O-N 3.49Å; K8-V10 VanDerWaalsContact C-N 3.32Å; K8-V10 PolarHBondContact O-N 3.33Å; K8-N11 PolarHBondContact O-N 3.24Å; K8-W12 PolarHBondContact O-N 3.1Å
9	N	48.6	Very low	53.9	Low	87 Å²	87	112.4 Å²	112.4	47%	0.465	59%	0.587	S	S	.	*	H	α-helix	trans	-61	-38.9	-179.3	-84.3	-12.2	0	0	0	112.8	D5 P6 W12 N13	D5-N9 PolarHBondContact O-N 3.35Å; P6-N9 PolarHBondContact O-N 3.44Å; N9-W12 PolarHBondContact O-N 2.95Å; N9-N13 WeakPolarHBondContact O-CB 3.31Å; N9-N13 VanDerWaalsContact O-CG 3.32Å; N9-N13 PolarHBondContact O-N 3.32Å; N9-N13 PolarHBondContact O-ND2 3.02Å
10	V	53.7	Low	54.4	Low	98 Å²	98	108.8 Å²	108.8	59%	0.594	57%	0.574	S	S	*	*	H	α-helix	trans	-62.1	-45.4	176	175.1	0	0	0	0	111.4	P6 K8 N13 A14	P6-V10 WeakPolarHBondContact O-CG2 3.19Å; P6-V10 PolarHBondContact O-N 3.37Å; K8-V10 VanDerWaalsContact C-N 3.32Å; K8-V10 PolarHBondContact O-N 3.33Å; V10-N13 PolarHBondContact O-N 3.2Å; V10-A14 WeakPolarHBondContact O-CB 3.5Å; V10-A14 PolarHBondContact O-N 3.26Å
11	N	58.2	Low	55	Low	110 Å²	110	108.7 Å²	108.7	59%	0.588	57%	0.574	S	S	*	*	H	α-helix	trans	-64.7	-41.3	177.8	-171.1	-15.1	0	0	0	111.7	L7 K8 R15	L7-N11 PolarHBondContact O-N 3.43Å; K8-N11 PolarHBondContact O-N 3.24Å; N11-R15 VanDerWaalsContact O-CB 3.29Å; N11-R15 WeakPolarHBondContact O-CB 3.39Å; N11-R15 PolarHBondContact O-N 3.12Å
12	W	49.4	Very low	56.2	Low	115 Å²	115	104.3 Å²	104.3	44%	0.436	54%	0.544	S	S	.	.	H	α-helix	trans	-61.4	-44.3	175.2	-81.6	105.9	0	0	0	112.5	K8 N9 R15 K16	K8-W12 PolarHBondContact O-N 3.1Å; N9-W12 PolarHBondContact O-N 2.95Å; W12-R15 PolarHBondContact O-N 3.04Å; W12-K16 WeakPolarHBondContact O-CG 3.27Å; W12-K16 PolarHBondContact O-N 3.29Å
13	N	54.8	Low	57.1	Low	80 Å²	80	100 Å²	100	43%	0.428	52%	0.515	S	S	.	.	H	α-helix	trans	-68.7	-46.1	179.1	-71.6	-19.9	0	0	0	111.9	N9 V10 R15 K16 H17	N9-N13 WeakPolarHBondContact O-CB 3.31Å; N9-N13 VanDerWaalsContact O-CG 3.32Å; N9-N13 PolarHBondContact O-N 3.32Å; N9-N13 PolarHBondContact O-ND2 3.02Å; V10-N13 PolarHBondContact O-N 3.2Å; N13-R15 PolarHBondContact O-N 3.28Å; N13-K16 WeakPolarHBondContact O-CB 3.4Å; N13-K16 PolarHBondContact O-N 3.04Å; N13-K16 VanDerWaalsContact O-N 3.11Å; N13-H17 PolarHBondContact O-CD2 3.24Å; N13-H17 PolarHBondContact O-N 3.45Å
14	A	58.3	Low	57.9	Low	59 Å²	59	99 Å²	99	49%	0.488	51%	0.505	S	S	.	.	H	α-helix	trans	-57.6	-40.7	175.6	0	0	0	0	0	111.6	V10 H17 S18	V10-A14 WeakPolarHBondContact O-CB 3.5Å; V10-A14 PolarHBondContact O-N 3.26Å; A14-H17 PolarHBondContact O-N 2.85Å; A14-S18 PolarHBondContact O-N 3.19Å
15	R	58.6	Low	58.7	Low	133 Å²	133	99.2 Å²	99.2	50%	0.502	51%	0.505	S	S	.	.	H	α-helix	trans	-65.8	-44.3	175.1	-163.5	175.1	-169	179.2	5.9	111.9	N11 W12 N13 H17 S18 V19	N11-R15 VanDerWaalsContact O-CB 3.29Å; N11-R15 WeakPolarHBondContact O-CB 3.39Å; N11-R15 PolarHBondContact O-N 3.12Å; W12-R15 PolarHBondContact O-N 3.04Å; N13-R15 PolarHBondContact O-N 3.28Å; R15-H17 VanDerWaalsContact C-N 3.32Å; R15-H17 PolarHBondContact O-N 3.3Å; R15-S18 PolarHBondContact O-N 3.47Å; R15-S18 PolarHBondContact O-OG 3.28Å; R15-V19 WeakPolarHBondContact O-CB 3.28Å; R15-V19 WeakPolarHBondContact O-CG2 3.46Å; R15-V19 PolarHBondContact O-N 3.24Å; R15-V19 VanDerWaalsContact O-N 3.09Å
16	K	59.3	Low	59.8	Low	140 Å²	140	98.4 Å²	98.4	61%	0.609	50%	0.499	S	S	*	.	H	α-helix	trans	-55.8	-45.8	173.8	-78.6	-178.2	176.8	-175.3	0	111.3	W12 N13 V19 A20	W12-K16 WeakPolarHBondContact O-CG 3.27Å; W12-K16 PolarHBondContact O-N 3.29Å; N13-K16 WeakPolarHBondContact O-CB 3.4Å; N13-K16 PolarHBondContact O-N 3.04Å; N13-K16 VanDerWaalsContact O-N 3.11Å; K16-V19 PolarHBondContact O-N 3.43Å; K16-A20 WeakPolarHBondContact O-CB 3.33Å; K16-A20 PolarHBondContact O-N 3.02Å
17	H	58.2	Low	60.6	Low	125 Å²	125	97.8 Å²	97.8	58%	0.579	49%	0.49	S	S	*	.	H	α-helix	trans	-65.9	-44.7	178.4	-72.9	-66.9	0	0	0	113	N13 A14 R15 V19 A20 N21	N13-H17 PolarHBondContact O-CD2 3.24Å; N13-H17 PolarHBondContact O-N 3.45Å; A14-H17 PolarHBondContact O-N 2.85Å; R15-H17 VanDerWaalsContact C-N 3.32Å; R15-H17 PolarHBondContact O-N 3.3Å; H17-V19 PolarHBondContact O-N 3.4Å; H17-A20 PolarHBondContact O-N 3.14Å; H17-N21 WeakPolarHBondContact O-CB 3.36Å; H17-N21 PolarHBondContact O-N 2.99Å
18	S	63.8	Low	61.9	Low	70 Å²	70	93.7 Å²	93.7	49%	0.49	47%	0.471	S	S	.	.	H	α-helix	trans	-59.2	-37.1	177.3	72.5	0	0	0	0	112.6	A14 R15 R22	A14-S18 PolarHBondContact O-N 3.19Å; R15-S18 PolarHBondContact O-N 3.47Å; R15-S18 PolarHBondContact O-OG 3.28Å; S18-R22 PolarHBondContact O-N 2.92Å; S18-R22 VanDerWaalsContact O-N 3.14Å
19	V	61.9	Low	63.1	Low	39 Å²	39	90.4 Å²	90.4	24%	0.236	47%	0.467	C	S	.	.	H	α-helix	trans	-75.7	-42.5	-179	168.4	0	0	0	0	110.8	R15 K16 H17 N21 R22 R23 E90	R15-V19 WeakPolarHBondContact O-CB 3.28Å; R15-V19 WeakPolarHBondContact O-CG2 3.46Å; R15-V19 PolarHBondContact O-N 3.24Å; R15-V19 VanDerWaalsContact O-N 3.09Å; K16-V19 PolarHBondContact O-N 3.43Å; H17-V19 PolarHBondContact O-N 3.4Å; V19-N21 VanDerWaalsContact C-N 3.31Å; V19-N21 PolarHBondContact O-N 3.14Å; V19-R22 WeakPolarHBondContact O-CB 3.17Å; V19-R22 PolarHBondContact O-N 2.77Å; V19-R23 PolarHBondContact O-N 3.48Å; V19-E90 HydrophobicContact CG1-CB 4.02Å; V19-E90 HydrophobicContact CG1-CG 3.44Å; V19-E90 VanDerWaalsContact CG1-CG 3.44Å; V19-E90 VanDerWaalsContact CG1-OE1 3.29Å; V19-E90 WeakPolarHBondContact CG1-OE1 3.49Å; V19-E90 WeakPolarHBondContact CG1-OE2 3.39Å
20	A	64.2	Low	64.6	Low	40 Å²	40	87.9 Å²	87.9	33%	0.331	45%	0.452	S	S	.	.	H	α-helix	trans	-60.7	-39.9	172.4	0	0	0	0	0	112.1	K16 H17 R22 R23 H24	K16-A20 WeakPolarHBondContact O-CB 3.33Å; K16-A20 PolarHBondContact O-N 3.02Å; H17-A20 PolarHBondContact O-N 3.14Å; A20-R22 VanDerWaalsContact C-N 3.34Å; A20-R22 PolarHBondContact O-N 3.41Å; A20-R23 WeakPolarHBondContact O-CB 3.42Å; A20-R23 PolarHBondContact O-N 3.14Å; A20-H24 PolarHBondContact O-N 3.18Å
21	N	66.9	Low	66	Low	107 Å²	107	85.8 Å²	85.8	57%	0.572	44%	0.442	S	S	*	.	H	α-helix	trans	-63.1	-39.7	174.8	-77.8	-2	0	0	0	111.9	H17 V19 H24 V25	H17-N21 WeakPolarHBondContact O-CB 3.36Å; H17-N21 PolarHBondContact O-N 2.99Å; V19-N21 VanDerWaalsContact C-N 3.31Å; V19-N21 PolarHBondContact O-N 3.14Å; N21-H24 WeakPolarHBondContact O-CB 3.33Å; N21-H24 PolarHBondContact O-N 2.85Å; N21-V25 WeakPolarHBondContact O-CG2 3.5Å; N21-V25 PolarHBondContact O-N 2.92Å
22	R	67	Low	67.4	Low	151 Å²	151	84.6 Å²	84.6	57%	0.57	44%	0.435	S	S	*	.	H	α-helix	trans	-62.1	-45.7	175	-175.9	-179.2	172.1	162.6	2.4	111.9	S18 V19 A20 H24 V25 E26	S18-R22 PolarHBondContact O-N 2.92Å; S18-R22 VanDerWaalsContact O-N 3.14Å; V19-R22 WeakPolarHBondContact O-CB 3.17Å; V19-R22 PolarHBondContact O-N 2.77Å; A20-R22 VanDerWaalsContact C-N 3.34Å; A20-R22 PolarHBondContact O-N 3.41Å; R22-H24 VanDerWaalsContact C-N 3.27Å; R22-H24 PolarHBondContact O-N 3.47Å; R22-V25 PolarHBondContact O-N 3.44Å; R22-E26 IonicContact CZ-OE1 3.48Å; R22-E26 IonicContact NE-OE1 2.83Å; R22-E26 PolarHBondContact NE-OE1 3.22Å; R22-E26 IonicContact NH2-OE1 3.2Å; R22-E26 PolarHBondContact NH2-OE1 3.41Å; R22-E26 PolarHBondContact O-N 3.01Å
23	R	66.1	Low	69.3	Low	78 Å²	78	81.4 Å²	81.4	29%	0.294	43%	0.428	S	S	.	.	H	α-helix	trans	-55.5	-45	172.3	-86.7	-173.6	-86.3	175	-22.6	111.3	V19 A20 E26 L27 E90	V19-R23 PolarHBondContact O-N 3.48Å; A20-R23 WeakPolarHBondContact O-CB 3.42Å; A20-R23 PolarHBondContact O-N 3.14Å; R23-E26 PolarHBondContact O-N 3.15Å; R23-L27 VanDerWaalsContact O-CB 3.22Å; R23-L27 WeakPolarHBondContact O-CB 3.29Å; R23-L27 WeakPolarHBondContact O-CD1 3.33Å; R23-L27 WeakPolarHBondContact O-CG 3.45Å; R23-L27 PolarHBondContact O-N 2.81Å; R23-E90 WeakPolarHBondContact CD-OE2 3.39Å; R23-E90 IonicContact CZ-OE2 3Å; R23-E90 IonicContact NE-OE2 2.61Å; R23-E90 PolarHBondContact NE-OE2 3.34Å; R23-E90 IonicContact NH2-OE2 2.76Å; R23-E90 PolarHBondContact NH2-OE2 2.9Å
24	H	67.9	Low	71	Confident	119 Å²	119	79.6 Å²	79.6	55%	0.551	42%	0.419	S	S	*	.	H	α-helix	trans	-61.9	-45.6	-179.1	-171	68.7	0	0	0	111.9	A20 N21 R22 L27 V28	A20-H24 PolarHBondContact O-N 3.18Å; N21-H24 WeakPolarHBondContact O-CB 3.33Å; N21-H24 PolarHBondContact O-N 2.85Å; R22-H24 VanDerWaalsContact C-N 3.27Å; R22-H24 PolarHBondContact O-N 3.47Å; H24-L27 PolarHBondContact O-N 3.18Å; H24-V28 WeakPolarHBondContact O-CB 3.39Å; H24-V28 VanDerWaalsContact O-CG2 3.24Å; H24-V28 WeakPolarHBondContact O-CG2 3.14Å; H24-V28 PolarHBondContact O-N 3.1Å
25	V	71.2	Confident	72.6	Confident	97 Å²	97	81.2 Å²	81.2	59%	0.588	42%	0.419	S	S	*	.	H	α-helix	trans	-62.7	-45.9	177.2	175.1	0	0	0	0	111.7	N21 R22 L27 V28 A29	N21-V25 WeakPolarHBondContact O-CG2 3.5Å; N21-V25 PolarHBondContact O-N 2.92Å; R22-V25 PolarHBondContact O-N 3.44Å; V25-L27 VanDerWaalsContact C-N 3.31Å; V25-L27 PolarHBondContact O-N 3.26Å; V25-V28 PolarHBondContact O-N 3.08Å; V25-A29 WeakPolarHBondContact O-CB 3.43Å; V25-A29 PolarHBondContact O-N 2.9Å
26	E	71.7	Confident	74.2	Confident	67 Å²	67	82.3 Å²	82.3	31%	0.313	43%	0.427	S	S	.	.	H	α-helix	trans	-64.1	-36.7	177.8	-69.2	-179.7	-166.8	0	0	111.4	R22 R23 F30 L86	R22-E26 IonicContact CZ-OE1 3.48Å; R22-E26 IonicContact NE-OE1 2.83Å; R22-E26 PolarHBondContact NE-OE1 3.22Å; R22-E26 IonicContact NH2-OE1 3.2Å; R22-E26 PolarHBondContact NH2-OE1 3.41Å; R22-E26 PolarHBondContact O-N 3.01Å; R23-E26 PolarHBondContact O-N 3.15Å; E26-F30 WeakPolarHBondContact O-CB 3.44Å; E26-F30 PolarHBondContact O-N 3.12Å; E26-L86 WeakPolarHBondContact OE2-CD1 3.32Å
27	L	73.2	Confident	75.8	Confident	70 Å²	70	77.2 Å²	77.2	37%	0.366	41%	0.406	S	S	.	.	H	α-helix	trans	-70.2	-38.5	175.9	-76.8	169.5	0	0	0	113.3	R23 H24 V25 F30 S31 V83	R23-L27 VanDerWaalsContact O-CB 3.22Å; R23-L27 WeakPolarHBondContact O-CB 3.29Å; R23-L27 WeakPolarHBondContact O-CD1 3.33Å; R23-L27 WeakPolarHBondContact O-CG 3.45Å; R23-L27 PolarHBondContact O-N 2.81Å; H24-L27 PolarHBondContact O-N 3.18Å; V25-L27 VanDerWaalsContact C-N 3.31Å; V25-L27 PolarHBondContact O-N 3.26Å; L27-F30 WeakPolarHBondContact O-CB 3.43Å; L27-F30 PolarHBondContact O-N 3.49Å; L27-S31 PolarHBondContact O-N 3.26Å; L27-V83 HydrophobicContact CD2-CG2 3.48Å; L27-V83 VanDerWaalsContact CD2-CG2 3.48Å; L27-V83 HydrophobicContact CG-CG2 4.49Å
28	V	75.5	Confident	77.5	Confident	58 Å²	58	77 Å²	77	35%	0.352	40%	0.401	S	S	.	.	H	α-helix	trans	-69	-45.6	177.3	170.2	0	0	0	0	110.5	H24 V25 F30 S31 D32	H24-V28 WeakPolarHBondContact O-CB 3.39Å; H24-V28 VanDerWaalsContact O-CG2 3.24Å; H24-V28 WeakPolarHBondContact O-CG2 3.14Å; H24-V28 PolarHBondContact O-N 3.1Å; V25-V28 PolarHBondContact O-N 3.08Å; V28-F30 PolarHBondContact O-N 3.15Å; V28-S31 WeakPolarHBondContact CA-OG 3.18Å; V28-S31 PolarHBondContact O-N 3.22Å; V28-S31 VanDerWaalsContact O-N 3.07Å; V28-S31 PolarHBondContact O-OG 3.38Å; V28-D32 PolarHBondContact O-N 2.97Å
29	A	76.9	Confident	79	Confident	55 Å²	55	78.6 Å²	78.6	46%	0.455	40%	0.4	S	S	.	.	H	α-helix	trans	-60	-36.3	174.2	0	0	0	0	0	111.7	V25 T33	V25-A29 WeakPolarHBondContact O-CB 3.43Å; V25-A29 PolarHBondContact O-N 2.9Å; A29-T33 PolarHBondContact O-N 3.44Å; A29-T33 PolarHBondContact O-OG1 3.21Å
30	F	80.2	Confident	80.5	Confident	34 Å²	34	77.7 Å²	77.7	15%	0.149	40%	0.399	C	S	.	.	H	α-helix	trans	-63	-46.8	171.7	164.2	-105.4	0	0	0	112.4	E26 L27 V28 D32 T33 L34 Y75 T79	E26-F30 WeakPolarHBondContact O-CB 3.44Å; E26-F30 PolarHBondContact O-N 3.12Å; L27-F30 WeakPolarHBondContact O-CB 3.43Å; L27-F30 PolarHBondContact O-N 3.49Å; V28-F30 PolarHBondContact O-N 3.15Å; F30-D32 VanDerWaalsContact C-N 3.29Å; F30-D32 PolarHBondContact O-N 2.84Å; F30-T33 PolarHBondContact O-N 3.34Å; F30-L34 HydrophobicContact CE1-CD2 4.02Å; F30-L34 HydrophobicContact CE2-CB 4.23Å; F30-L34 HydrophobicContact CE2-CD2 4.48Å; F30-L34 HydrophobicContact CZ-CB 4.23Å; F30-L34 HydrophobicContact CZ-CD2 3.73Å; F30-L34 HydrophobicContact CZ-CG 4.39Å; F30-L34 WeakPolarHBondContact O-CB 3.35Å; F30-L34 PolarHBondContact O-N 2.6Å; F30-Y75 HydrophobicContact CD2-CD1 4.12Å; F30-Y75 AromaticContact CD2-CE1 3.27Å; F30-Y75 HydrophobicContact CD2-CE1 3.27Å; F30-Y75 AromaticContact CD2-CZ 3.68Å; F30-Y75 AromaticContact CE2-CD1 3.73Å; F30-Y75 HydrophobicContact CE2-CD1 3.73Å; F30-Y75 AromaticContact CE2-CE1 3.34Å; F30-Y75 HydrophobicContact CE2-CE1 3.34Å; F30-Y75 HydrophobicContact CG-CE1 4.5Å; F30-T79 HydrophobicContact CB-CG2 3.98Å; F30-T79 HydrophobicContact CD1-CG2 3.63Å; F30-T79 VanDerWaalsContact CD2-CB 3.44Å; F30-T79 HydrophobicContact CD2-CG2 3.08Å; F30-T79 WeakPolarHBondContact CD2-OG1 3.32Å; F30-T79 HydrophobicContact CE1-CG2 3.79Å; F30-T79 HydrophobicContact CE2-CG2 3.3Å; F30-T79 WeakPolarHBondContact CE2-OG1 3.19Å; F30-T79 HydrophobicContact CG-CG2 3.25Å; F30-T79 HydrophobicContact CZ-CG2 3.62Å
31	S	82.6	Confident	81.9	Confident	54 Å²	54	76.6 Å²	76.6	38%	0.378	39%	0.388	S	S	.	.	H	α-helix	trans	-61.6	-39.3	-178.4	58.3	0	0	0	0	112	L27 V28 L34 L35	L27-S31 PolarHBondContact O-N 3.26Å; V28-S31 WeakPolarHBondContact CA-OG 3.18Å; V28-S31 PolarHBondContact O-N 3.22Å; V28-S31 VanDerWaalsContact O-N 3.07Å; V28-S31 PolarHBondContact O-OG 3.38Å; S31-L34 PolarHBondContact O-N 2.77Å; S31-L35 VanDerWaalsContact O-CB 3.28Å; S31-L35 WeakPolarHBondContact O-CB 3.23Å; S31-L35 PolarHBondContact O-N 3.22Å
32	D	88.5	Confident	83.2	Confident	86 Å²	86	74.9 Å²	74.9	46%	0.46	38%	0.378	S	S	.	.	H	α-helix	trans	-65.9	-42.2	178.2	-69.5	-12.8	0	0	0	111.8	V28 F30 L35 K36	V28-D32 PolarHBondContact O-N 2.97Å; F30-D32 VanDerWaalsContact C-N 3.29Å; F30-D32 PolarHBondContact O-N 2.84Å; D32-L35 PolarHBondContact O-N 3.39Å; D32-K36 WeakPolarHBondContact O-CG 3.45Å; D32-K36 PolarHBondContact O-N 2.93Å
33	T	89.3	Confident	84.5	Confident	47 Å²	47	72.3 Å²	72.3	29%	0.288	37%	0.372	S	S	.	.	H	α-helix	trans	-66.2	-45.4	177.3	-54.9	0	0	0	0	110.9	A29 F30 L35 K36 M37 Y75	A29-T33 PolarHBondContact O-N 3.44Å; A29-T33 PolarHBondContact O-OG1 3.21Å; F30-T33 PolarHBondContact O-N 3.34Å; T33-L35 VanDerWaalsContact C-N 3.31Å; T33-L35 PolarHBondContact O-N 3.04Å; T33-K36 WeakPolarHBondContact O-CB 3.26Å; T33-K36 PolarHBondContact O-N 3.1Å; T33-M37 WeakPolarHBondContact O-CG 3.23Å; T33-M37 PolarHBondContact O-N 3.39Å; T33-Y75 WeakPolarHBondContact CB-OH 3.47Å; T33-Y75 HydrophobicContact CG2-CE1 3.79Å; T33-Y75 HydrophobicContact CG2-CE2 4.18Å; T33-Y75 WeakPolarHBondContact CG2-OH 3.47Å
34	L	89.6	Confident	85.7	Confident	43 Å²	43	68.6 Å²	68.6	23%	0.225	36%	0.359	C	S	.	.	H	α-helix	trans	-61.1	-41.2	177.3	-177.7	66.6	0	0	0	111.4	F30 S31 M37 Y38 M72 Y75	F30-L34 HydrophobicContact CE1-CD2 4.02Å; F30-L34 HydrophobicContact CE2-CB 4.23Å; F30-L34 HydrophobicContact CE2-CD2 4.48Å; F30-L34 HydrophobicContact CZ-CB 4.23Å; F30-L34 HydrophobicContact CZ-CD2 3.73Å; F30-L34 HydrophobicContact CZ-CG 4.39Å; F30-L34 WeakPolarHBondContact O-CB 3.35Å; F30-L34 PolarHBondContact O-N 2.6Å; S31-L34 PolarHBondContact O-N 2.77Å; L34-M37 PolarHBondContact O-N 3.02Å; L34-Y38 WeakPolarHBondContact O-CB 3.02Å; L34-Y38 PolarHBondContact O-N 2.97Å; L34-M72 HydrophobicContact CD1-CG 3.81Å; L34-M72 HydrophobicContact CD1-SD 4.45Å; L34-Y75 HydrophobicContact CB-CE1 4.46Å; L34-Y75 HydrophobicContact CD1-CD1 4.5Å
35	L	91.2	Very high	86.7	Confident	93 Å²	93	65.3 Å²	65.3	49%	0.487	35%	0.347	S	S	.	.	H	α-helix	trans	-62.8	-42.6	177.2	-175.6	64	0	0	0	111.6	S31 D32 T33 M37 Y38 H39	S31-L35 VanDerWaalsContact O-CB 3.28Å; S31-L35 WeakPolarHBondContact O-CB 3.23Å; S31-L35 PolarHBondContact O-N 3.22Å; D32-L35 PolarHBondContact O-N 3.39Å; T33-L35 VanDerWaalsContact C-N 3.31Å; T33-L35 PolarHBondContact O-N 3.04Å; L35-M37 PolarHBondContact O-N 3.47Å; L35-Y38 WeakPolarHBondContact O-CB 3.37Å; L35-Y38 PolarHBondContact O-N 2.95Å; L35-H39 PolarHBondContact O-CD2 3.07Å; L35-H39 PolarHBondContact O-N 3.04Å
36	K	93.2	Very high	87.6	Confident	156 Å²	156	64.8 Å²	64.8	68%	0.678	34%	0.339	S	S	*	.	H	α-helix	trans	-60.3	-44.5	173.5	-72.2	172.5	-175.6	175.1	0	111.8	D32 T33 H39 G40	D32-K36 WeakPolarHBondContact O-CG 3.45Å; D32-K36 PolarHBondContact O-N 2.93Å; T33-K36 WeakPolarHBondContact O-CB 3.26Å; T33-K36 PolarHBondContact O-N 3.1Å; K36-H39 PolarHBondContact O-N 3.4Å; K36-G40 PolarHBondContact O-N 3.5Å
37	M	92.9	Very high	88.4	Confident	32 Å²	32	64.5 Å²	64.5	16%	0.158	34%	0.337	C	S	.	.	H	α-helix	trans	-63.1	-44	176.9	-65.8	-178.6	93.1	0	0	111.5	T33 L34 L35 H39 G40 V41 E71 M72 Y75	T33-M37 WeakPolarHBondContact O-CG 3.23Å; T33-M37 PolarHBondContact O-N 3.39Å; L34-M37 PolarHBondContact O-N 3.02Å; L35-M37 PolarHBondContact O-N 3.47Å; M37-H39 PolarHBondContact O-N 3.22Å; M37-G40 CarbonylContact O-C 3.58Å; M37-G40 WeakPolarHBondContact O-CA 3.37Å; M37-G40 PolarHBondContact O-N 3.02Å; M37-G40 VanDerWaalsContact O-N 3.09Å; M37-V41 WeakPolarHBondContact O-CG2 3.29Å; M37-V41 PolarHBondContact O-N 3.2Å; M37-E71 HydrophobicContact CE-CB 4.07Å; M37-E71 HydrophobicContact CE-CG 3.65Å; M37-M72 HydrophobicContact CB-CB 4.19Å; M37-M72 HydrophobicContact CB-CG 3.93Å; M37-M72 VanDerWaalsContact CE-CA 3.47Å; M37-M72 HydrophobicContact CE-CB 4.22Å; M37-Y75 HydrophobicContact SD-CD1 3.63Å; M37-Y75 HydrophobicContact SD-CE1 4.37Å; M37-Y75 HydrophobicContact SD-CG 3.73Å
38	Y	93.2	Very high	89	Confident	122 Å²	122	63.5 Å²	63.5	48%	0.478	33%	0.332	S	S	.	.	H	α-helix	trans	-56.4	-48.9	175.9	171.3	-97.6	0	0	0	111.8	L34 L35 G40 V41 L42	L34-Y38 WeakPolarHBondContact O-CB 3.02Å; L34-Y38 PolarHBondContact O-N 2.97Å; L35-Y38 WeakPolarHBondContact O-CB 3.37Å; L35-Y38 PolarHBondContact O-N 2.95Å; Y38-G40 VanDerWaalsContact C-N 3.3Å; Y38-G40 PolarHBondContact O-N 3.34Å; Y38-V41 PolarHBondContact O-N 3.35Å; Y38-L42 HydrophobicContact CE1-CD2 4.5Å; Y38-L42 WeakPolarHBondContact O-CB 3.29Å; Y38-L42 PolarHBondContact O-N 3.14Å
39	H	95.5	Very high	89.4	Confident	103 Å²	103	69.4 Å²	69.4	48%	0.477	35%	0.35	S	S	.	.	H	α-helix	trans	-63.8	-36.1	175.5	-73.7	-60.7	0	0	0	112.4	L35 K36 M37 L42 H43	L35-H39 PolarHBondContact O-CD2 3.07Å; L35-H39 PolarHBondContact O-N 3.04Å; K36-H39 PolarHBondContact O-N 3.4Å; M37-H39 PolarHBondContact O-N 3.22Å; H39-L42 PolarHBondContact O-N 2.98Å; H39-H43 WeakPolarHBondContact O-CB 3.37Å; H39-H43 PolarHBondContact O-N 3.47Å
40	G	94.1	Very high	89.8	Confident	20 Å²	20	74.8 Å²	74.8	21%	0.206	36%	0.358	C	S	.	.	H	α-helix	trans	-63.5	-39.4	174.5	0	0	0	0	0	113.5	K36 M37 Y38 C44	K36-G40 PolarHBondContact O-N 3.5Å; M37-G40 CarbonylContact O-C 3.58Å; M37-G40 WeakPolarHBondContact O-CA 3.37Å; M37-G40 PolarHBondContact O-N 3.02Å; M37-G40 VanDerWaalsContact O-N 3.09Å; Y38-G40 VanDerWaalsContact C-N 3.3Å; Y38-G40 PolarHBondContact O-N 3.34Å; G40-C44 PolarHBondContact O-N 3.35Å
41	V	93.6	Very high	89.6	Confident	16 Å²	16	74.7 Å²	74.7	10%	0.097	36%	0.359	C	S	.	.	H	α-helix	trans	-66.9	-48.9	173.1	173.2	0	0	0	0	110.1	M37 Y38 H43 C44 V45 K68 L69 M72	M37-V41 WeakPolarHBondContact O-CG2 3.29Å; M37-V41 PolarHBondContact O-N 3.2Å; Y38-V41 PolarHBondContact O-N 3.35Å; V41-H43 VanDerWaalsContact C-N 3.26Å; V41-H43 PolarHBondContact O-N 2.91Å; V41-C44 PolarHBondContact O-N 3.36Å; V41-C44 VanDerWaalsContact O-N 3.09Å; V41-V45 HydrophobicContact CG1-CG2 4.29Å; V41-V45 WeakPolarHBondContact O-CG2 3.27Å; V41-V45 PolarHBondContact O-N 2.99Å; V41-K68 HydrophobicContact CG2-CB 3.83Å; V41-L69 HydrophobicContact CG1-CB 4.31Å; V41-L69 HydrophobicContact CG1-CD1 4.32Å; V41-L69 HydrophobicContact CG2-CB 4.5Å; V41-M72 HydrophobicContact CG2-CB 4.36Å; V41-M72 HydrophobicContact CG2-SD 4.25Å
42	L	93.8	Very high	88.9	Confident	71 Å²	71	78.7 Å²	78.7	37%	0.372	38%	0.377	S	S	.	.	H	α-helix	trans	-57.2	-41.6	180	-175.3	66	0	0	0	111.5	Y38 H39 V45 M46	Y38-L42 HydrophobicContact CE1-CD2 4.5Å; Y38-L42 WeakPolarHBondContact O-CB 3.29Å; Y38-L42 PolarHBondContact O-N 3.14Å; H39-L42 PolarHBondContact O-N 2.98Å; L42-V45 PolarHBondContact O-N 3.35Å; L42-M46 WeakPolarHBondContact O-CG 3.41Å; L42-M46 PolarHBondContact O-N 3.3Å
43	H	93.9	Very high	87.7	Confident	97 Å²	97	85.2 Å²	85.2	45%	0.449	40%	0.395	S	S	.	.	H	α-helix	trans	-58.3	-48.8	175	-173.6	-83.1	0	0	0	112.1	H39 V41 V45 M46 E47	H39-H43 WeakPolarHBondContact O-CB 3.37Å; H39-H43 PolarHBondContact O-N 3.47Å; V41-H43 VanDerWaalsContact C-N 3.26Å; V41-H43 PolarHBondContact O-N 2.91Å; H43-V45 VanDerWaalsContact C-N 3.31Å; H43-V45 PolarHBondContact O-N 2.93Å; H43-M46 WeakPolarHBondContact O-CB 3.42Å; H43-M46 PolarHBondContact O-N 3.4Å; H43-M46 VanDerWaalsContact O-N 3.13Å; H43-E47 IonicContact CE1-OE1 3.18Å; H43-E47 PolarHBondContact CE1-OE1 3.38Å; H43-E47 IonicContact CE1-OE2 3.71Å; H43-E47 IonicContact ND1-OE1 3.62Å; H43-E47 IonicContact ND1-OE2 3.29Å; H43-E47 PolarHBondContact ND1-OE2 2.96Å; H43-E47 WeakPolarHBondContact O-CG 3.5Å; H43-E47 PolarHBondContact O-N 3.15Å
44	C	91.6	Very high	86.6	Confident	1 Å²	1	88.5 Å²	88.5	1%	0.007	41%	0.41	C	S	.	.	H	α-helix	trans	-67.4	-32.7	-180	-68.5	0	0	0	0	112.7	G40 V41 E47 L48 N64 A65 K68	G40-C44 PolarHBondContact O-N 3.35Å; V41-C44 PolarHBondContact O-N 3.36Å; V41-C44 VanDerWaalsContact O-N 3.09Å; C44-E47 PolarHBondContact O-N 2.83Å; C44-L48 PolarHBondContact O-N 3.18Å; C44-L48 VanDerWaalsContact O-N 3.08Å; C44-N64 PolarHBondContact SG-ND2 2.61Å; C44-N64 VanDerWaalsContact SG-ND2 3.41Å; C44-A65 HydrophobicContact CB-CB 3.97Å; C44-K68 HydrophobicContact CB-CD 4.49Å; C44-K68 VanDerWaalsContact SG-CE 3.52Å; C44-K68 PolarHBondContact SG-NZ 3.37Å
45	V	89.6	Confident	85.5	Confident	49 Å²	49	90.6 Å²	90.6	30%	0.297	43%	0.428	S	S	.	.	H	α-helix	trans	-65.6	-41.8	171.1	174.1	0	0	0	0	110.6	V41 L42 H43 E47 L48 Y49 A65	V41-V45 HydrophobicContact CG1-CG2 4.29Å; V41-V45 WeakPolarHBondContact O-CG2 3.27Å; V41-V45 PolarHBondContact O-N 2.99Å; L42-V45 PolarHBondContact O-N 3.35Å; H43-V45 VanDerWaalsContact C-N 3.31Å; H43-V45 PolarHBondContact O-N 2.93Å; V45-E47 VanDerWaalsContact C-N 3.34Å; V45-E47 PolarHBondContact O-N 3.11Å; V45-L48 WeakPolarHBondContact O-CB 3.5Å; V45-L48 PolarHBondContact O-N 3.12Å; V45-Y49 HydrophobicContact CG1-CD2 3.97Å; V45-Y49 HydrophobicContact CG1-CE2 3.75Å; V45-Y49 VanDerWaalsContact O-CD2 3.23Å; V45-Y49 WeakPolarHBondContact O-CD2 3.12Å; V45-Y49 PolarHBondContact O-N 3.01Å; V45-A65 HydrophobicContact CG2-CB 4.15Å
46	M	89.8	Confident	84.7	Confident	86 Å²	86	92.6 Å²	92.6	42%	0.424	44%	0.435	S	S	.	.	H	α-helix	trans	-64.2	-38	175.2	-71.4	180	69.2	0	0	112.4	L42 H43 L48 Y49 R50	L42-M46 WeakPolarHBondContact O-CG 3.41Å; L42-M46 PolarHBondContact O-N 3.3Å; H43-M46 WeakPolarHBondContact O-CB 3.42Å; H43-M46 PolarHBondContact O-N 3.4Å; H43-M46 VanDerWaalsContact O-N 3.13Å; M46-L48 VanDerWaalsContact C-N 3.32Å; M46-Y49 PolarHBondContact O-N 3.46Å; M46-R50 WeakPolarHBondContact O-CB 3.44Å; M46-R50 VanDerWaalsContact O-CG 3.25Å; M46-R50 WeakPolarHBondContact O-CG 3.45Å; M46-R50 PolarHBondContact O-N 3.27Å
47	E	87.6	Confident	84	Confident	61 Å²	61	90.6 Å²	90.6	29%	0.285	43%	0.426	S	S	.	.	H	α-helix	trans	-61.2	-40.3	173.8	-72.4	175.9	135.2	0	0	111.9	H43 C44 V45 Y49 R50 D51	H43-E47 IonicContact CE1-OE1 3.18Å; H43-E47 PolarHBondContact CE1-OE1 3.38Å; H43-E47 IonicContact CE1-OE2 3.71Å; H43-E47 IonicContact ND1-OE1 3.62Å; H43-E47 IonicContact ND1-OE2 3.29Å; H43-E47 PolarHBondContact ND1-OE2 2.96Å; H43-E47 WeakPolarHBondContact O-CG 3.5Å; H43-E47 PolarHBondContact O-N 3.15Å; C44-E47 PolarHBondContact O-N 2.83Å; V45-E47 VanDerWaalsContact C-N 3.34Å; V45-E47 PolarHBondContact O-N 3.11Å; E47-Y49 VanDerWaalsContact C-N 3.35Å; E47-Y49 PolarHBondContact O-N 2.94Å; E47-R50 PolarHBondContact O-N 2.92Å; E47-R50 VanDerWaalsContact O-N 3.17Å; E47-D51 PolarHBondContact O-N 3.42Å
48	L	86.5	Confident	83.6	Confident	50 Å²	50	91 Å²	91	26%	0.262	43%	0.432	S	S	.	.	H	α-helix	trans	-58.2	-45.1	174.3	177.7	65.1	0	0	0	112	C44 V45 M46 R50 D51 S58 H61 F62	C44-L48 PolarHBondContact O-N 3.18Å; C44-L48 VanDerWaalsContact O-N 3.08Å; V45-L48 WeakPolarHBondContact O-CB 3.5Å; V45-L48 PolarHBondContact O-N 3.12Å; M46-L48 VanDerWaalsContact C-N 3.32Å; L48-R50 VanDerWaalsContact C-N 3.31Å; L48-R50 PolarHBondContact O-N 2.8Å; L48-D51 PolarHBondContact O-N 2.84Å; L48-S58 VanDerWaalsContact CD1-O 3.3Å; L48-S58 WeakPolarHBondContact CD1-O 3.5Å; L48-H61 HydrophobicContact CB-CB 4.03Å; L48-H61 HydrophobicContact CD1-CB 3.91Å; L48-F62 HydrophobicContact CD1-CB 4.1Å; L48-F62 HydrophobicContact CD2-CB 4.48Å; L48-F62 HydrophobicContact CD2-CD2 4.43Å
49	Y	84.1	Confident	83.2	Confident	182 Å²	182	93.4 Å²	93.4	71%	0.714	44%	0.44	S	S	*	.	H	α-helix	trans	-75.7	-16.3	177.9	-75.3	-73	0	0	0	114.1	V45 M46 E47	V45-Y49 HydrophobicContact CG1-CD2 3.97Å; V45-Y49 HydrophobicContact CG1-CE2 3.75Å; V45-Y49 VanDerWaalsContact O-CD2 3.23Å; V45-Y49 WeakPolarHBondContact O-CD2 3.12Å; V45-Y49 PolarHBondContact O-N 3.01Å; M46-Y49 PolarHBondContact O-N 3.46Å; E47-Y49 VanDerWaalsContact C-N 3.35Å; E47-Y49 PolarHBondContact O-N 2.94Å
50	R	84.5	Confident	82.9	Confident	167 Å²	167	93.9 Å²	93.9	63%	0.63	44%	0.443	S	S	*	.	H	α-helix	trans	-86.7	-7.5	176.1	-77.1	174.1	175.2	-178.2	-0.3	113.3	M46 E47 L48 D52	M46-R50 WeakPolarHBondContact O-CB 3.44Å; M46-R50 VanDerWaalsContact O-CG 3.25Å; M46-R50 WeakPolarHBondContact O-CG 3.45Å; M46-R50 PolarHBondContact O-N 3.27Å; E47-R50 PolarHBondContact O-N 2.92Å; E47-R50 VanDerWaalsContact O-N 3.17Å; L48-R50 VanDerWaalsContact C-N 3.31Å; L48-R50 PolarHBondContact O-N 2.8Å; R50-D52 PolarHBondContact O-N 3.16Å
51	D	76.2	Confident	82.7	Confident	32 Å²	32	95 Å²	95	17%	0.171	44%	0.443	C	S	.	.			trans	-72.8	70.1	175.5	-169.3	10.7	0	0	0	110.4	E47 L48 C55 F57 S58	E47-D51 PolarHBondContact O-N 3.42Å; L48-D51 PolarHBondContact O-N 2.84Å; D51-C55 WeakPolarHBondContact OD2-CA 3.18Å; D51-F57 PolarHBondContact OD2-N 3.2Å; D51-S58 VanDerWaalsContact OD2-CA 3.25Å; D51-S58 WeakPolarHBondContact OD2-CA 3.28Å; D51-S58 WeakPolarHBondContact OD2-CB 3.34Å; D51-S58 PolarHBondContact OD2-N 2.96Å
52	D	67.4	Low	82.6	Confident	139 Å²	139	99.1 Å²	99.1	74%	0.743	46%	0.459	S	S	*	.			trans	-96.2	10.5	-159.8	-140.1	16.7	0	0	0	113.6	R50	R50-D52 PolarHBondContact O-N 3.16Å
53	R	63.7	Low	82.5	Confident	223 Å²	223	102.2 Å²	102.2	84%	0.842	47%	0.466	S	S	*	.	S	Bend	trans	-133.5	-35	-171.9	-66	-168.7	-169.3	-134.3	0	117.9
54	D	67.4	Low	82.5	Confident	115 Å²	115	100.2 Å²	100.2	62%	0.615	46%	0.459	S	S	*	.	S	Bend	trans	-143.7	6.4	-178.1	-68	-58.2	0	0	0	114.3	Q56	D54-Q56 HydrophobicContact CB-CB 4.48Å; D54-Q56 HydrophobicContact CB-CG 3.66Å; D54-Q56 PolarHBondContact O-N 2.89Å
55	C	66.4	Low	82.6	Confident	88 Å²	88	100.7 Å²	100.7	60%	0.595	46%	0.463	S	S	*	.			trans	50.8	15.7	-173	-66	0	0	0	0	113.8	D51 F57 S58	D51-C55 WeakPolarHBondContact OD2-CA 3.18Å; C55-F57 PolarHBondContact O-N 3.12Å; C55-F57 VanDerWaalsContact O-N 3.14Å; C55-S58 WeakPolarHBondContact O-CB 3.41Å; C55-S58 PolarHBondContact O-N 2.93Å; C55-S58 VanDerWaalsContact O-N 3.16Å; C55-S58 PolarHBondContact O-OG 3.12Å
56	Q	72.8	Confident	82.8	Confident	134 Å²	134	100 Å²	100	63%	0.626	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-32.1	-171.4	-81.3	176.6	19.2	0	0	111.7	D54	D54-Q56 HydrophobicContact CB-CB 4.48Å; D54-Q56 HydrophobicContact CB-CG 3.66Å; D54-Q56 PolarHBondContact O-N 2.89Å
57	F	79.6	Confident	83	Confident	114 Å²	114	100.3 Å²	100.3	50%	0.5	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.7	3.9	-177.9	-55.5	-71.2	0	0	0	112.4	D51 C55 W59 Q60 H61	D51-F57 PolarHBondContact OD2-N 3.2Å; C55-F57 PolarHBondContact O-N 3.12Å; C55-F57 VanDerWaalsContact O-N 3.14Å; F57-W59 VanDerWaalsContact C-N 3.31Å; F57-W59 PolarHBondContact O-N 2.88Å; F57-Q60 CarbonylContact O-C 3.54Å; F57-Q60 WeakPolarHBondContact O-CA 2.98Å; F57-Q60 WeakPolarHBondContact O-CB 3.41Å; F57-Q60 PolarHBondContact O-N 2.93Å; F57-H61 PolarHBondContact O-N 3.37Å; F57-H61 PolarHBondContact O-ND1 2.82Å
58	S	83.4	Confident	83.3	Confident	41 Å²	41	100.7 Å²	100.7	29%	0.287	47%	0.466	S	S	.	.	H	α-helix	trans	-53.1	-47.1	-174.1	59.4	0	0	0	0	112.2	L48 D51 C55 H61 F62	L48-S58 VanDerWaalsContact CD1-O 3.3Å; L48-S58 WeakPolarHBondContact CD1-O 3.5Å; D51-S58 VanDerWaalsContact OD2-CA 3.25Å; D51-S58 WeakPolarHBondContact OD2-CA 3.28Å; D51-S58 WeakPolarHBondContact OD2-CB 3.34Å; D51-S58 PolarHBondContact OD2-N 2.96Å; C55-S58 WeakPolarHBondContact O-CB 3.41Å; C55-S58 PolarHBondContact O-N 2.93Å; C55-S58 VanDerWaalsContact O-N 3.16Å; C55-S58 PolarHBondContact O-OG 3.12Å; S58-H61 PolarHBondContact O-N 2.95Å; S58-F62 WeakPolarHBondContact O-CB 3.38Å; S58-F62 PolarHBondContact O-N 3.09Å
59	W	86.6	Confident	83.8	Confident	172 Å²	172	102.5 Å²	102.5	65%	0.652	48%	0.476	S	S	*	.	H	α-helix	trans	-66.4	-38.7	176.4	-178.1	-117.2	0	0	0	112.7	F57 F62 R63	F57-W59 VanDerWaalsContact C-N 3.31Å; F57-W59 PolarHBondContact O-N 2.88Å; W59-F62 HydrophobicContact CE3-CB 4.43Å; W59-F62 AromaticContact CE3-CD1 3.72Å; W59-F62 HydrophobicContact CE3-CD1 3.72Å; W59-F62 HydrophobicContact CE3-CE1 4.44Å; W59-F62 HydrophobicContact CE3-CG 4.36Å; W59-F62 AromaticContact CH2-CD1 3.9Å; W59-F62 HydrophobicContact CH2-CD1 3.9Å; W59-F62 AromaticContact CH2-CE1 3.91Å; W59-F62 HydrophobicContact CH2-CE1 3.91Å; W59-F62 AromaticContact CZ3-CD1 3.3Å; W59-F62 HydrophobicContact CZ3-CD1 3.3Å; W59-F62 AromaticContact CZ3-CE1 3.59Å; W59-F62 HydrophobicContact CZ3-CE1 3.59Å; W59-F62 HydrophobicContact CZ3-CG 4.25Å; W59-F62 PolarHBondContact O-N 3.44Å; W59-R63 VanDerWaalsContact O-CB 3.31Å; W59-R63 WeakPolarHBondContact O-CB 3.35Å; W59-R63 PolarHBondContact O-N 3.4Å
60	Q	89.3	Confident	84.3	Confident	113 Å²	113	96.5 Å²	96.5	53%	0.528	46%	0.464	S	S	.	.	H	α-helix	trans	-67.2	-40.7	177.7	-173	61.1	25	0	0	111.4	F57 R63 N64	F57-Q60 CarbonylContact O-C 3.54Å; F57-Q60 WeakPolarHBondContact O-CA 2.98Å; F57-Q60 WeakPolarHBondContact O-CB 3.41Å; F57-Q60 PolarHBondContact O-N 2.93Å; Q60-R63 PolarHBondContact O-N 2.86Å; Q60-N64 WeakPolarHBondContact O-CB 3.29Å; Q60-N64 PolarHBondContact O-N 2.82Å
61	H	89.6	Confident	84.7	Confident	45 Å²	45	93.9 Å²	93.9	21%	0.208	46%	0.459	C	S	.	.	H	α-helix	trans	-65.3	-43.9	173.9	-64.9	150.5	0	0	0	111.6	L48 F57 S58 R63 N64 A65	L48-H61 HydrophobicContact CB-CB 4.03Å; L48-H61 HydrophobicContact CD1-CB 3.91Å; F57-H61 PolarHBondContact O-N 3.37Å; F57-H61 PolarHBondContact O-ND1 2.82Å; S58-H61 PolarHBondContact O-N 2.95Å; H61-R63 PolarHBondContact O-N 2.76Å; H61-N64 PolarHBondContact O-N 2.92Å; H61-A65 WeakPolarHBondContact O-CB 3.38Å; H61-A65 PolarHBondContact O-N 3.07Å
62	F	90.8	Very high	85.5	Confident	101 Å²	101	93.8 Å²	93.8	44%	0.443	46%	0.458	S	S	.	.	H	α-helix	trans	-59.2	-49.1	175.5	172.4	-95.9	0	0	0	110.9	L48 S58 W59 N64 A65 A66	L48-F62 HydrophobicContact CD1-CB 4.1Å; L48-F62 HydrophobicContact CD2-CB 4.48Å; L48-F62 HydrophobicContact CD2-CD2 4.43Å; S58-F62 WeakPolarHBondContact O-CB 3.38Å; S58-F62 PolarHBondContact O-N 3.09Å; W59-F62 HydrophobicContact CE3-CB 4.43Å; W59-F62 AromaticContact CE3-CD1 3.72Å; W59-F62 HydrophobicContact CE3-CD1 3.72Å; W59-F62 HydrophobicContact CE3-CE1 4.44Å; W59-F62 HydrophobicContact CE3-CG 4.36Å; W59-F62 AromaticContact CH2-CD1 3.9Å; W59-F62 HydrophobicContact CH2-CD1 3.9Å; W59-F62 AromaticContact CH2-CE1 3.91Å; W59-F62 HydrophobicContact CH2-CE1 3.91Å; W59-F62 AromaticContact CZ3-CD1 3.3Å; W59-F62 HydrophobicContact CZ3-CD1 3.3Å; W59-F62 AromaticContact CZ3-CE1 3.59Å; W59-F62 HydrophobicContact CZ3-CE1 3.59Å; W59-F62 HydrophobicContact CZ3-CG 4.25Å; W59-F62 PolarHBondContact O-N 3.44Å; F62-N64 PolarHBondContact O-N 2.76Å; F62-A65 PolarHBondContact O-N 3.2Å; F62-A66 WeakPolarHBondContact O-CB 3.43Å; F62-A66 PolarHBondContact O-N 2.9Å
63	R	92.8	Very high	86.5	Confident	136 Å²	136	91.3 Å²	91.3	51%	0.513	44%	0.442	S	S	.	.	H	α-helix	trans	-58.7	-46.8	177.9	-177.3	175.1	-178.2	161.1	3.4	111.5	W59 Q60 H61 A65 A66 D67	W59-R63 VanDerWaalsContact O-CB 3.31Å; W59-R63 WeakPolarHBondContact O-CB 3.35Å; W59-R63 PolarHBondContact O-N 3.4Å; Q60-R63 PolarHBondContact O-N 2.86Å; H61-R63 PolarHBondContact O-N 2.76Å; R63-A65 PolarHBondContact O-N 3.49Å; R63-A66 PolarHBondContact O-N 3.45Å; R63-D67 IonicContact NE-OD2 3.86Å; R63-D67 WeakPolarHBondContact O-CB 3.46Å; R63-D67 VanDerWaalsContact O-CG 3.25Å; R63-D67 PolarHBondContact O-N 3.27Å
64	N	92.6	Very high	87.9	Confident	56 Å²	56	87.5 Å²	87.5	30%	0.299	43%	0.431	S	S	.	.	H	α-helix	trans	-60.8	-44.1	177.9	-171.6	20.1	0	0	0	112.1	C44 Q60 H61 F62 D67 K68	C44-N64 PolarHBondContact SG-ND2 2.61Å; C44-N64 VanDerWaalsContact SG-ND2 3.41Å; Q60-N64 WeakPolarHBondContact O-CB 3.29Å; Q60-N64 PolarHBondContact O-N 2.82Å; H61-N64 PolarHBondContact O-N 2.92Å; F62-N64 PolarHBondContact O-N 2.76Å; N64-D67 PolarHBondContact O-N 3.07Å; N64-K68 WeakPolarHBondContact O-CG 3.4Å; N64-K68 PolarHBondContact O-N 3.43Å
65	A	93.3	Very high	88.8	Confident	10 Å²	10	85.2 Å²	85.2	8%	0.083	42%	0.415	C	S	.	.	H	α-helix	trans	-63.3	-42.7	176	0	0	0	0	0	112	C44 V45 H61 F62 R63 L69	C44-A65 HydrophobicContact CB-CB 3.97Å; V45-A65 HydrophobicContact CG2-CB 4.15Å; H61-A65 WeakPolarHBondContact O-CB 3.38Å; H61-A65 PolarHBondContact O-N 3.07Å; F62-A65 PolarHBondContact O-N 3.2Å; R63-A65 PolarHBondContact O-N 3.49Å; A65-L69 VanDerWaalsContact O-CB 3.28Å; A65-L69 WeakPolarHBondContact O-CB 3.5Å; A65-L69 PolarHBondContact O-N 3.45Å
66	A	94.4	Very high	89.8	Confident	36 Å²	36	84.3 Å²	84.3	30%	0.298	40%	0.402	S	S	.	.	H	α-helix	trans	-65	-43.9	177.5	0	0	0	0	0	112.1	F62 R63 L69 A70	F62-A66 WeakPolarHBondContact O-CB 3.43Å; F62-A66 PolarHBondContact O-N 2.9Å; R63-A66 PolarHBondContact O-N 3.45Å; A66-L69 PolarHBondContact O-N 3.3Å; A66-A70 WeakPolarHBondContact O-CB 3.17Å; A66-A70 PolarHBondContact O-N 3.41Å
67	D	94.9	Very high	90.4	Very high	92 Å²	92	83.6 Å²	83.6	49%	0.492	40%	0.397	S	S	.	.	H	α-helix	trans	-62.9	-45.7	178.6	-73	-20.7	0	0	0	110.7	R63 N64 L69 A70 E71	R63-D67 IonicContact NE-OD2 3.86Å; R63-D67 WeakPolarHBondContact O-CB 3.46Å; R63-D67 VanDerWaalsContact O-CG 3.25Å; R63-D67 PolarHBondContact O-N 3.27Å; N64-D67 PolarHBondContact O-N 3.07Å; D67-L69 PolarHBondContact O-N 2.91Å; D67-A70 PolarHBondContact O-N 3.29Å; D67-E71 PolarHBondContact O-N 2.87Å
68	K	94	Very high	90.7	Very high	68 Å²	68	82.9 Å²	82.9	30%	0.296	40%	0.398	S	S	.	.	H	α-helix	trans	-64.6	-39.3	174.7	-73.4	-164.7	-177.5	-176.4	0	113.2	V41 C44 N64 A70 E71 M72	V41-K68 HydrophobicContact CG2-CB 3.83Å; C44-K68 HydrophobicContact CB-CD 4.49Å; C44-K68 VanDerWaalsContact SG-CE 3.52Å; C44-K68 PolarHBondContact SG-NZ 3.37Å; N64-K68 WeakPolarHBondContact O-CG 3.4Å; N64-K68 PolarHBondContact O-N 3.43Å; K68-A70 VanDerWaalsContact C-N 3.33Å; K68-E71 PolarHBondContact O-N 2.97Å; K68-M72 WeakPolarHBondContact O-CB 3.47Å; K68-M72 PolarHBondContact O-N 2.91Å
69	L	95.8	Very high	90.7	Very high	88 Å²	88	81.9 Å²	81.9	46%	0.461	39%	0.39	S	S	.	.	H	α-helix	trans	-64.4	-41.6	176.5	179	62.7	0	0	0	110.8	V41 A65 A66 D67 E71 M72 H73	V41-L69 HydrophobicContact CG1-CB 4.31Å; V41-L69 HydrophobicContact CG1-CD1 4.32Å; V41-L69 HydrophobicContact CG2-CB 4.5Å; A65-L69 VanDerWaalsContact O-CB 3.28Å; A65-L69 WeakPolarHBondContact O-CB 3.5Å; A65-L69 PolarHBondContact O-N 3.45Å; A66-L69 PolarHBondContact O-N 3.3Å; D67-L69 PolarHBondContact O-N 2.91Å; L69-E71 VanDerWaalsContact C-N 3.34Å; L69-M72 HydrophobicContact CD1-CE 3.75Å; L69-M72 PolarHBondContact O-N 2.88Å; L69-H73 VanDerWaalsContact O-CB 3.32Å; L69-H73 WeakPolarHBondContact O-CB 3.22Å; L69-H73 PolarHBondContact O-N 2.75Å
70	A	94.5	Very high	90.3	Very high	57 Å²	57	78.7 Å²	78.7	47%	0.471	39%	0.385	S	S	.	.	H	α-helix	trans	-63	-41.3	175.6	0	0	0	0	0	111.6	A66 D67 K68 H73 K74	A66-A70 WeakPolarHBondContact O-CB 3.17Å; A66-A70 PolarHBondContact O-N 3.41Å; D67-A70 PolarHBondContact O-N 3.29Å; K68-A70 VanDerWaalsContact C-N 3.33Å; A70-H73 PolarHBondContact O-N 2.79Å; A70-K74 WeakPolarHBondContact O-CB 3.16Å; A70-K74 PolarHBondContact O-N 2.81Å
71	E	93.3	Very high	89.9	Confident	111 Å²	111	78.7 Å²	78.7	52%	0.519	39%	0.388	S	S	.	.	H	α-helix	trans	-61.4	-49.2	174.8	-163.9	-168.7	158.1	0	0	111.7	M37 D67 K68 L69 H73 K74 Y75	M37-E71 HydrophobicContact CE-CB 4.07Å; M37-E71 HydrophobicContact CE-CG 3.65Å; D67-E71 PolarHBondContact O-N 2.87Å; K68-E71 PolarHBondContact O-N 2.97Å; L69-E71 VanDerWaalsContact C-N 3.34Å; E71-H73 VanDerWaalsContact C-N 3.31Å; E71-H73 PolarHBondContact O-N 3.38Å; E71-K74 WeakPolarHBondContact O-CB 3.45Å; E71-K74 PolarHBondContact O-N 3.43Å; E71-Y75 WeakPolarHBondContact O-CB 3.43Å; E71-Y75 PolarHBondContact O-N 2.83Å
72	M	92	Very high	89.5	Confident	31 Å²	31	81 Å²	81	15%	0.153	40%	0.397	C	S	.	.	H	α-helix	trans	-58.2	-44.4	176.4	-174	-173.5	79.6	0	0	111.4	L34 M37 V41 K68 L69 Y75 M76	L34-M72 HydrophobicContact CD1-CG 3.81Å; L34-M72 HydrophobicContact CD1-SD 4.45Å; M37-M72 HydrophobicContact CB-CB 4.19Å; M37-M72 HydrophobicContact CB-CG 3.93Å; M37-M72 VanDerWaalsContact CE-CA 3.47Å; M37-M72 HydrophobicContact CE-CB 4.22Å; V41-M72 HydrophobicContact CG2-CB 4.36Å; V41-M72 HydrophobicContact CG2-SD 4.25Å; K68-M72 WeakPolarHBondContact O-CB 3.47Å; K68-M72 PolarHBondContact O-N 2.91Å; L69-M72 HydrophobicContact CD1-CE 3.75Å; L69-M72 PolarHBondContact O-N 2.88Å; M72-Y75 PolarHBondContact O-N 3.14Å; M72-M76 WeakPolarHBondContact O-CB 3.43Å; M72-M76 PolarHBondContact O-N 2.94Å
73	H	89.9	Confident	88.7	Confident	86 Å²	86	78.9 Å²	78.9	40%	0.398	39%	0.393	S	S	.	.	H	α-helix	trans	-66.2	-39.8	178.9	-178.7	-121.4	0	0	0	112.3	L69 A70 E71 M76 K77	L69-H73 VanDerWaalsContact O-CB 3.32Å; L69-H73 WeakPolarHBondContact O-CB 3.22Å; L69-H73 PolarHBondContact O-N 2.75Å; A70-H73 PolarHBondContact O-N 2.79Å; E71-H73 VanDerWaalsContact C-N 3.31Å; E71-H73 PolarHBondContact O-N 3.38Å; H73-M76 PolarHBondContact O-N 2.87Å; H73-K77 WeakPolarHBondContact CE1-CE 3.35Å; H73-K77 PolarHBondContact CE1-NZ 3.31Å; H73-K77 WeakPolarHBondContact O-CG 3.48Å; H73-K77 PolarHBondContact O-N 3.31Å
74	K	91.6	Very high	87.9	Confident	143 Å²	143	78.2 Å²	78.2	62%	0.622	39%	0.391	S	S	*	.	H	α-helix	trans	-61	-46.7	173	-179	-176.3	177	-174	0	110.9	A70 E71 K77 L78	A70-K74 WeakPolarHBondContact O-CB 3.16Å; A70-K74 PolarHBondContact O-N 2.81Å; E71-K74 WeakPolarHBondContact O-CB 3.45Å; E71-K74 PolarHBondContact O-N 3.43Å; K74-K77 PolarHBondContact O-N 3.2Å; K74-L78 HydrophobicContact CG-CD1 4.32Å; K74-L78 WeakPolarHBondContact O-CG 3.27Å; K74-L78 PolarHBondContact O-N 3.04Å
75	Y	88.2	Confident	87.1	Confident	68 Å²	68	80.2 Å²	80.2	27%	0.267	40%	0.399	S	S	.	.	H	α-helix	trans	-59.6	-48.2	177.3	-177.2	-106.9	0	0	0	111.4	F30 T33 L34 M37 E71 M72 K77 L78 T79	F30-Y75 HydrophobicContact CD2-CD1 4.12Å; F30-Y75 AromaticContact CD2-CE1 3.27Å; F30-Y75 HydrophobicContact CD2-CE1 3.27Å; F30-Y75 AromaticContact CD2-CZ 3.68Å; F30-Y75 AromaticContact CE2-CD1 3.73Å; F30-Y75 HydrophobicContact CE2-CD1 3.73Å; F30-Y75 AromaticContact CE2-CE1 3.34Å; F30-Y75 HydrophobicContact CE2-CE1 3.34Å; F30-Y75 HydrophobicContact CG-CE1 4.5Å; T33-Y75 WeakPolarHBondContact CB-OH 3.47Å; T33-Y75 HydrophobicContact CG2-CE1 3.79Å; T33-Y75 HydrophobicContact CG2-CE2 4.18Å; T33-Y75 WeakPolarHBondContact CG2-OH 3.47Å; L34-Y75 HydrophobicContact CB-CE1 4.46Å; L34-Y75 HydrophobicContact CD1-CD1 4.5Å; M37-Y75 HydrophobicContact SD-CD1 3.63Å; M37-Y75 HydrophobicContact SD-CE1 4.37Å; M37-Y75 HydrophobicContact SD-CG 3.73Å; E71-Y75 WeakPolarHBondContact O-CB 3.43Å; E71-Y75 PolarHBondContact O-N 2.83Å; M72-Y75 PolarHBondContact O-N 3.14Å; Y75-K77 VanDerWaalsContact C-N 3.34Å; Y75-K77 PolarHBondContact O-N 3.4Å; Y75-L78 PolarHBondContact O-N 3.33Å; Y75-T79 PolarHBondContact O-N 2.9Å; Y75-T79 PolarHBondContact O-OG1 3.21Å
76	M	86.5	Confident	86.2	Confident	68 Å²	68	80.9 Å²	80.9	34%	0.335	40%	0.401	S	S	.	.	H	α-helix	trans	-57.9	-44.2	177.4	-173.6	174.4	69.6	0	0	112.4	M72 H73 T79 I80	M72-M76 WeakPolarHBondContact O-CB 3.43Å; M72-M76 PolarHBondContact O-N 2.94Å; H73-M76 PolarHBondContact O-N 2.87Å; M76-T79 PolarHBondContact O-N 3.41Å; M76-I80 HydrophobicContact CG-CD1 4.04Å; M76-I80 WeakPolarHBondContact O-CG1 3.42Å; M76-I80 PolarHBondContact O-N 3.35Å
77	K	86.1	Confident	85.1	Confident	119 Å²	119	79.7 Å²	79.7	52%	0.517	39%	0.392	S	S	.	.	H	α-helix	trans	-60	-48	175.9	-79.8	-177.8	171	179.7	0	112.4	H73 K74 Y75 T79 I80 L81	H73-K77 WeakPolarHBondContact CE1-CE 3.35Å; H73-K77 PolarHBondContact CE1-NZ 3.31Å; H73-K77 WeakPolarHBondContact O-CG 3.48Å; H73-K77 PolarHBondContact O-N 3.31Å; K74-K77 PolarHBondContact O-N 3.2Å; Y75-K77 VanDerWaalsContact C-N 3.34Å; Y75-K77 PolarHBondContact O-N 3.4Å; K77-T79 VanDerWaalsContact C-N 3.28Å; K77-T79 PolarHBondContact O-N 2.97Å; K77-I80 PolarHBondContact O-N 3.4Å; K77-L81 WeakPolarHBondContact O-CG 3.36Å; K77-L81 PolarHBondContact O-N 2.85Å
78	L	85.6	Confident	83.9	Confident	100 Å²	100	78.1 Å²	78.1	52%	0.524	38%	0.383	S	S	.	.	H	α-helix	trans	-61.1	-39.9	179.3	-71.9	173.4	0	0	0	111.4	K74 Y75 L81 K82	K74-L78 HydrophobicContact CG-CD1 4.32Å; K74-L78 WeakPolarHBondContact O-CG 3.27Å; K74-L78 PolarHBondContact O-N 3.04Å; Y75-L78 PolarHBondContact O-N 3.33Å; L78-L81 PolarHBondContact O-N 3.47Å; L78-K82 WeakPolarHBondContact O-CB 3.24Å; L78-K82 PolarHBondContact O-N 2.98Å
79	T	82	Confident	82.7	Confident	19 Å²	19	77.6 Å²	77.6	12%	0.117	39%	0.385	C	S	.	.	H	α-helix	trans	-67.6	-45	177.4	-53	0	0	0	0	112.3	F30 Y75 M76 K77 L81 K82 V83	F30-T79 HydrophobicContact CB-CG2 3.98Å; F30-T79 HydrophobicContact CD1-CG2 3.63Å; F30-T79 VanDerWaalsContact CD2-CB 3.44Å; F30-T79 HydrophobicContact CD2-CG2 3.08Å; F30-T79 WeakPolarHBondContact CD2-OG1 3.32Å; F30-T79 HydrophobicContact CE1-CG2 3.79Å; F30-T79 HydrophobicContact CE2-CG2 3.3Å; F30-T79 WeakPolarHBondContact CE2-OG1 3.19Å; F30-T79 HydrophobicContact CG-CG2 3.25Å; F30-T79 HydrophobicContact CZ-CG2 3.62Å; Y75-T79 PolarHBondContact O-N 2.9Å; Y75-T79 PolarHBondContact O-OG1 3.21Å; M76-T79 PolarHBondContact O-N 3.41Å; K77-T79 VanDerWaalsContact C-N 3.28Å; K77-T79 PolarHBondContact O-N 2.97Å; T79-L81 PolarHBondContact O-N 3.21Å; T79-K82 WeakPolarHBondContact O-CA 3.47Å; T79-K82 WeakPolarHBondContact O-CB 3.46Å; T79-K82 PolarHBondContact O-N 3.06Å; T79-V83 HydrophobicContact CG2-CG2 4.22Å; T79-V83 WeakPolarHBondContact O-CG2 3.49Å; T79-V83 PolarHBondContact O-N 3.06Å
80	I	80	Confident	81.4	Confident	106 Å²	106	75.2 Å²	75.2	54%	0.544	37%	0.372	S	S	.	.	H	α-helix	trans	-56.7	-44.9	176.4	-69.9	166.7	0	0	0	110.2	M76 K77 K82 V83 Y84	M76-I80 HydrophobicContact CG-CD1 4.04Å; M76-I80 WeakPolarHBondContact O-CG1 3.42Å; M76-I80 PolarHBondContact O-N 3.35Å; K77-I80 PolarHBondContact O-N 3.4Å; I80-K82 VanDerWaalsContact C-N 3.31Å; I80-K82 PolarHBondContact O-N 2.91Å; I80-V83 PolarHBondContact O-N 3.42Å; I80-Y84 WeakPolarHBondContact O-CB 3.48Å; I80-Y84 PolarHBondContact O-N 3.35Å
81	L	80.5	Confident	80.1	Confident	113 Å²	113	73.8 Å²	73.8	59%	0.592	36%	0.362	S	S	*	.	H	α-helix	trans	-60.2	-41.6	175.1	-70.1	171.9	0	0	0	111.8	K77 L78 T79 Y84 E85	K77-L81 WeakPolarHBondContact O-CG 3.36Å; K77-L81 PolarHBondContact O-N 2.85Å; L78-L81 PolarHBondContact O-N 3.47Å; T79-L81 PolarHBondContact O-N 3.21Å; L81-Y84 PolarHBondContact O-N 2.84Å; L81-E85 WeakPolarHBondContact O-CB 3.39Å; L81-E85 PolarHBondContact O-N 2.97Å
82	K	80	Confident	78.8	Confident	92 Å²	92	71.1 Å²	71.1	40%	0.4	36%	0.359	S	S	.	.	H	α-helix	trans	-65	-44.9	178.3	-170.6	70.7	-163.6	164	0	112.6	L78 T79 I80 Y84 E85 L86	L78-K82 WeakPolarHBondContact O-CB 3.24Å; L78-K82 PolarHBondContact O-N 2.98Å; T79-K82 WeakPolarHBondContact O-CA 3.47Å; T79-K82 WeakPolarHBondContact O-CB 3.46Å; T79-K82 PolarHBondContact O-N 3.06Å; I80-K82 VanDerWaalsContact C-N 3.31Å; I80-K82 PolarHBondContact O-N 2.91Å; K82-Y84 VanDerWaalsContact C-N 3.28Å; K82-Y84 PolarHBondContact O-N 3.01Å; K82-E85 IonicContact NZ-OE1 3.86Å; K82-E85 IonicContact NZ-OE2 2.76Å; K82-E85 PolarHBondContact NZ-OE2 3Å; K82-E85 PolarHBondContact O-N 3.45Å; K82-L86 HydrophobicContact CG-CD1 4.24Å; K82-L86 WeakPolarHBondContact O-CB 3.49Å; K82-L86 VanDerWaalsContact O-CG 3.28Å; K82-L86 WeakPolarHBondContact O-CG 3.39Å; K82-L86 PolarHBondContact O-N 3.46Å
83	V	75.4	Confident	77.4	Confident	57 Å²	57	70.9 Å²	70.9	35%	0.345	36%	0.363	S	S	.	.	H	α-helix	trans	-61.3	-41.4	176.7	172.8	0	0	0	0	110.3	L27 T79 I80 L86 G87	L27-V83 HydrophobicContact CD2-CG2 3.48Å; L27-V83 VanDerWaalsContact CD2-CG2 3.48Å; L27-V83 HydrophobicContact CG-CG2 4.49Å; T79-V83 HydrophobicContact CG2-CG2 4.22Å; T79-V83 WeakPolarHBondContact O-CG2 3.49Å; T79-V83 PolarHBondContact O-N 3.06Å; I80-V83 PolarHBondContact O-N 3.42Å; V83-L86 PolarHBondContact O-N 3.01Å; V83-G87 PolarHBondContact O-N 3.44Å
84	Y	75.9	Confident	76.2	Confident	123 Å²	123	67.1 Å²	67.1	48%	0.482	35%	0.346	S	S	.	.	H	α-helix	trans	-65	-45.7	175.9	-171.1	-104.9	0	0	0	112.3	I80 L81 K82 L86 G87 I88 F95	I80-Y84 WeakPolarHBondContact O-CB 3.48Å; I80-Y84 PolarHBondContact O-N 3.35Å; L81-Y84 PolarHBondContact O-N 2.84Å; K82-Y84 VanDerWaalsContact C-N 3.28Å; K82-Y84 PolarHBondContact O-N 3.01Å; Y84-L86 PolarHBondContact O-N 3.47Å; Y84-G87 WeakPolarHBondContact O-CA 3.43Å; Y84-G87 PolarHBondContact O-N 3.32Å; Y84-G87 VanDerWaalsContact O-N 3.16Å; Y84-I88 HydrophobicContact CD1-CD1 3.76Å; Y84-I88 HydrophobicContact CE1-CD1 3.29Å; Y84-I88 HydrophobicContact CE1-CG1 4.2Å; Y84-I88 PolarHBondContact O-N 3.37Å; Y84-F95 WeakPolarHBondContact OH-CZ 3.28Å
85	E	75.7	Confident	75.1	Confident	98 Å²	98	62.1 Å²	62.1	46%	0.458	32%	0.324	S	S	.	.	H	α-helix	trans	-56.9	-48.2	175.3	-172.3	-162.1	173.9	0	0	111.3	L81 K82 G87 I88 V89	L81-E85 WeakPolarHBondContact O-CB 3.39Å; L81-E85 PolarHBondContact O-N 2.97Å; K82-E85 IonicContact NZ-OE1 3.86Å; K82-E85 IonicContact NZ-OE2 2.76Å; K82-E85 PolarHBondContact NZ-OE2 3Å; K82-E85 PolarHBondContact O-N 3.45Å; E85-G87 VanDerWaalsContact C-N 3.32Å; E85-G87 PolarHBondContact O-N 3.11Å; E85-I88 PolarHBondContact O-N 3.29Å; E85-V89 HydrophobicContact CG-CG2 4.47Å; E85-V89 WeakPolarHBondContact O-CB 3.23Å; E85-V89 VanDerWaalsContact O-CG2 3.29Å; E85-V89 WeakPolarHBondContact O-CG2 3.26Å; E85-V89 PolarHBondContact O-N 2.85Å
86	L	73.3	Confident	74	Confident	24 Å²	24	60.7 Å²	60.7	13%	0.126	32%	0.324	C	S	.	.	H	α-helix	trans	-60.6	-43.4	176.1	-69.7	167.9	0	0	0	111.1	E26 K82 V83 Y84 I88 V89 E90	E26-L86 WeakPolarHBondContact OE2-CD1 3.32Å; K82-L86 HydrophobicContact CG-CD1 4.24Å; K82-L86 WeakPolarHBondContact O-CB 3.49Å; K82-L86 VanDerWaalsContact O-CG 3.28Å; K82-L86 WeakPolarHBondContact O-CG 3.39Å; K82-L86 PolarHBondContact O-N 3.46Å; V83-L86 PolarHBondContact O-N 3.01Å; Y84-L86 PolarHBondContact O-N 3.47Å; L86-I88 VanDerWaalsContact C-N 3.34Å; L86-I88 PolarHBondContact O-N 3.36Å; L86-V89 PolarHBondContact O-N 3.34Å; L86-E90 VanDerWaalsContact O-CB 3.27Å; L86-E90 WeakPolarHBondContact O-CB 2.93Å; L86-E90 WeakPolarHBondContact O-CG 3Å; L86-E90 PolarHBondContact O-N 3.36Å
87	G	71.7	Confident	73.1	Confident	11 Å²	11	61.8 Å²	61.8	11%	0.113	34%	0.339	C	S	.	.	H	α-helix	trans	-55.5	-45.4	175	0	0	0	0	0	113	V83 Y84 E85 G91 A92 A93	V83-G87 PolarHBondContact O-N 3.44Å; Y84-G87 WeakPolarHBondContact O-CA 3.43Å; Y84-G87 PolarHBondContact O-N 3.32Å; Y84-G87 VanDerWaalsContact O-N 3.16Å; E85-G87 VanDerWaalsContact C-N 3.32Å; E85-G87 PolarHBondContact O-N 3.11Å; G87-G91 PolarHBondContact O-N 2.91Å; G87-G91 VanDerWaalsContact O-N 3.15Å; G87-A92 WeakPolarHBondContact O-CA 3.25Å; G87-A92 PolarHBondContact O-N 3.29Å; G87-A93 PolarHBondContact O-N 3.05Å; G87-A93 VanDerWaalsContact O-N 3.12Å
88	I	70.7	Confident	72.5	Confident	58 Å²	58	59.5 Å²	59.5	30%	0.297	33%	0.332	S	S	.	.	H	α-helix	trans	-66.6	-51.9	176.7	-68.7	171.3	0	0	0	111.3	Y84 E85 L86 E90 G91 A93 F95	Y84-I88 HydrophobicContact CD1-CD1 3.76Å; Y84-I88 HydrophobicContact CE1-CD1 3.29Å; Y84-I88 HydrophobicContact CE1-CG1 4.2Å; Y84-I88 PolarHBondContact O-N 3.37Å; E85-I88 PolarHBondContact O-N 3.29Å; L86-I88 VanDerWaalsContact C-N 3.34Å; L86-I88 PolarHBondContact O-N 3.36Å; I88-E90 PolarHBondContact O-N 3.02Å; I88-G91 PolarHBondContact O-N 3Å; I88-A93 HydrophobicContact CG1-CB 4.09Å; I88-F95 HydrophobicContact CD1-CE2 3.9Å; I88-F95 HydrophobicContact CD1-CZ 4.02Å; I88-F95 HydrophobicContact CG1-CE2 4.05Å; I88-F95 HydrophobicContact CG1-CZ 4.32Å; I88-F95 HydrophobicContact CG2-CE2 4.45Å
89	V	68.6	Low	72	Confident	58 Å²	58	55.5 Å²	55.5	35%	0.352	31%	0.311	S	S	.	.	H	α-helix	trans	-60	-32.4	-174.6	167.1	0	0	0	0	111.9	E85 L86	E85-V89 HydrophobicContact CG-CG2 4.47Å; E85-V89 WeakPolarHBondContact O-CB 3.23Å; E85-V89 VanDerWaalsContact O-CG2 3.29Å; E85-V89 WeakPolarHBondContact O-CG2 3.26Å; E85-V89 PolarHBondContact O-N 2.85Å; L86-V89 PolarHBondContact O-N 3.34Å
90	E	68.8	Low	71.5	Confident	37 Å²	37	60.9 Å²	60.9	17%	0.173	33%	0.332	C	S	.	.	H	α-helix	trans	-84.5	-23.8	179.3	-65.2	173.5	-175.5	0	0	112.6	V19 R23 L86 I88 K139	V19-E90 HydrophobicContact CG1-CB 4.02Å; V19-E90 HydrophobicContact CG1-CG 3.44Å; V19-E90 VanDerWaalsContact CG1-CG 3.44Å; V19-E90 VanDerWaalsContact CG1-OE1 3.29Å; V19-E90 WeakPolarHBondContact CG1-OE1 3.49Å; V19-E90 WeakPolarHBondContact CG1-OE2 3.39Å; R23-E90 WeakPolarHBondContact CD-OE2 3.39Å; R23-E90 IonicContact CZ-OE2 3Å; R23-E90 IonicContact NE-OE2 2.61Å; R23-E90 PolarHBondContact NE-OE2 3.34Å; R23-E90 IonicContact NH2-OE2 2.76Å; R23-E90 PolarHBondContact NH2-OE2 2.9Å; L86-E90 VanDerWaalsContact O-CB 3.27Å; L86-E90 WeakPolarHBondContact O-CB 2.93Å; L86-E90 WeakPolarHBondContact O-CG 3Å; L86-E90 PolarHBondContact O-N 3.36Å; I88-E90 PolarHBondContact O-N 3.02Å; E90-K139 PolarHBondContact O-NZ 2.93Å
91	G	67.1	Low	71.2	Confident	27 Å²	27	61.2 Å²	61.2	28%	0.278	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.9	19.8	-177.2	0	0	0	0	0	113.8	G87 I88 A93	G87-G91 PolarHBondContact O-N 2.91Å; G87-G91 VanDerWaalsContact O-N 3.15Å; I88-G91 PolarHBondContact O-N 3Å; G91-A93 VanDerWaalsContact C-N 3.29Å
92	A	64.3	Low	70.8	Confident	55 Å²	55	60 Å²	60	46%	0.455	32%	0.322	S	S	.	.	S	Bend	trans	-72.4	-28.1	168.6	0	0	0	0	0	111.6	G87	G87-A92 WeakPolarHBondContact O-CA 3.25Å; G87-A92 PolarHBondContact O-N 3.29Å
93	A	64.2	Low	70.4	Confident	27 Å²	27	57.1 Å²	57.1	22%	0.223	31%	0.31	C	S	.	.	S	Bend	trans	-115.2	115	162.2	0	0	0	0	0	107.5	G87 I88 G91	G87-A93 PolarHBondContact O-N 3.05Å; G87-A93 VanDerWaalsContact O-N 3.12Å; I88-A93 HydrophobicContact CG1-CB 4.09Å; G91-A93 VanDerWaalsContact C-N 3.29Å
94	S	63.2	Low	70.4	Confident	7 Å²	7	62 Å²	62	5%	0.049	33%	0.327	C	S	.	.			trans	-114.7	155.4	164.4	31.2	0	0	0	0	110.6	S125	S94-S125 VanDerWaalsContact CA-OG 3.23Å; S94-S125 WeakPolarHBondContact CA-OG 3.45Å; S94-S125 VanDerWaalsContact CB-OG 3.26Å; S94-S125 WeakPolarHBondContact CB-OG 3.5Å; S94-S125 PolarHBondContact N-OG 2.89Å; S94-S125 WeakPolarHBondContact O-CB 3.36Å; S94-S125 PolarHBondContact O-N 3.02Å; S94-S125 PolarHBondContact O-OG 3.44Å; S94-S125 WeakPolarHBondContact OG-CB 3.41Å; S94-S125 PolarHBondContact OG-OG 2.89Å
95	F	68.3	Low	70.1	Confident	37 Å²	37	62 Å²	62	16%	0.162	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-109.1	143.2	174.8	-54.1	-76.5	0	0	0	106.9	Y84 I88 F99 F100 L124 P132	Y84-F95 WeakPolarHBondContact OH-CZ 3.28Å; I88-F95 HydrophobicContact CD1-CE2 3.9Å; I88-F95 HydrophobicContact CD1-CZ 4.02Å; I88-F95 HydrophobicContact CG1-CE2 4.05Å; I88-F95 HydrophobicContact CG1-CZ 4.32Å; I88-F95 HydrophobicContact CG2-CE2 4.45Å; F95-F99 HydrophobicContact CB-CB 3.73Å; F95-F99 HydrophobicContact CB-CD1 3.91Å; F95-F99 HydrophobicContact CB-CD2 4.33Å; F95-F99 HydrophobicContact CB-CG 3.76Å; F95-F99 AromaticContact CD1-CD1 3.58Å; F95-F99 HydrophobicContact CD1-CD1 3.58Å; F95-F99 AromaticContact CD1-CD2 3.93Å; F95-F99 HydrophobicContact CD1-CD2 3.93Å; F95-F99 AromaticContact CD1-CE1 3.4Å; F95-F99 HydrophobicContact CD1-CE1 3.4Å; F95-F99 VanDerWaalsContact CD1-CE1 3.4Å; F95-F99 AromaticContact CD1-CE2 3.81Å; F95-F99 HydrophobicContact CD1-CE2 3.81Å; F95-F99 AromaticContact CD1-CG 3.85Å; F95-F99 HydrophobicContact CD1-CG 3.85Å; F95-F99 AromaticContact CD1-CZ 3.53Å; F95-F99 HydrophobicContact CD1-CZ 3.53Å; F95-F99 HydrophobicContact CE1-CD1 4.39Å; F95-F99 AromaticContact CE1-CE1 3.78Å; F95-F99 HydrophobicContact CE1-CE1 3.78Å; F95-F99 HydrophobicContact CE1-CE2 4.39Å; F95-F99 AromaticContact CE1-CZ 3.79Å; F95-F99 HydrophobicContact CE1-CZ 3.79Å; F95-F99 AromaticContact CG-CD1 3.93Å; F95-F99 HydrophobicContact CG-CD1 3.93Å; F95-F99 HydrophobicContact CG-CE1 4.16Å; F95-F99 HydrophobicContact CG-CG 4.18Å; F95-F100 HydrophobicContact CB-CE2 4.5Å; F95-F100 HydrophobicContact CD2-CE2 4.43Å; F95-F100 HydrophobicContact CD2-CZ 4.35Å; F95-L124 HydrophobicContact CD1-CD2 4.09Å; F95-L124 HydrophobicContact CE1-CD2 4.07Å; F95-P132 WeakPolarHBondContact O-CG 3.42Å
96	S	67.1	Low	69.9	Low	39 Å²	39	59 Å²	59	27%	0.273	32%	0.322	S	S	.	.			trans	-55.2	152.9	165.5	59.8	0	0	0	0	110.2	D98 F99 Y123	S96-D98 PolarHBondContact O-N 3.34Å; S96-D98 VanDerWaalsContact O-N 3.12Å; S96-F99 WeakPolarHBondContact O-CB 3.13Å; S96-F99 PolarHBondContact O-N 3.42Å; S96-F99 WeakPolarHBondContact OG-CB 3.36Å; S96-F99 PolarHBondContact OG-N 3.46Å; S96-Y123 PolarHBondContact N-O 3.41Å; S96-Y123 VanDerWaalsContact N-O 3.15Å; S96-Y123 PolarHBondContact OG-O 2.84Å; S96-Y123 VanDerWaalsContact OG-O 3.14Å
97	S	67	Low	69.7	Low	90 Å²	90	62.7 Å²	62.7	63%	0.629	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-35.9	179.7	46.9	0	0	0	0	112.4
98	D	72.1	Confident	69.4	Low	72 Å²	72	67 Å²	67	39%	0.385	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	5.5	-173.7	-38.6	-19.5	0	0	0	111.3	S96 F100 E101 K102	S96-D98 PolarHBondContact O-N 3.34Å; S96-D98 VanDerWaalsContact O-N 3.12Å; D98-F100 VanDerWaalsContact C-N 3.27Å; D98-F100 PolarHBondContact O-N 3.39Å; D98-E101 PolarHBondContact O-N 3.24Å; D98-K102 HydrophobicContact CB-CD 4.18Å; D98-K102 HydrophobicContact CB-CG 4.2Å; D98-K102 WeakPolarHBondContact O-CB 3.36Å; D98-K102 VanDerWaalsContact O-CG 3.31Å; D98-K102 WeakPolarHBondContact O-CG 3.49Å; D98-K102 PolarHBondContact O-N 3.39Å; D98-K102 IonicContact OD2-NZ 2.77Å
99	F	75.2	Confident	69	Low	16 Å²	16	71.2 Å²	71.2	7%	0.07	39%	0.386	C	S	.	.	H	α-helix	trans	-52.4	-47.1	-176.3	173.3	-95.2	0	0	0	111.7	F95 S96 I103 I120 Y123 L124	F95-F99 HydrophobicContact CB-CB 3.73Å; F95-F99 HydrophobicContact CB-CD1 3.91Å; F95-F99 HydrophobicContact CB-CD2 4.33Å; F95-F99 HydrophobicContact CB-CG 3.76Å; F95-F99 AromaticContact CD1-CD1 3.58Å; F95-F99 HydrophobicContact CD1-CD1 3.58Å; F95-F99 AromaticContact CD1-CD2 3.93Å; F95-F99 HydrophobicContact CD1-CD2 3.93Å; F95-F99 AromaticContact CD1-CE1 3.4Å; F95-F99 HydrophobicContact CD1-CE1 3.4Å; F95-F99 VanDerWaalsContact CD1-CE1 3.4Å; F95-F99 AromaticContact CD1-CE2 3.81Å; F95-F99 HydrophobicContact CD1-CE2 3.81Å; F95-F99 AromaticContact CD1-CG 3.85Å; F95-F99 HydrophobicContact CD1-CG 3.85Å; F95-F99 AromaticContact CD1-CZ 3.53Å; F95-F99 HydrophobicContact CD1-CZ 3.53Å; F95-F99 HydrophobicContact CE1-CD1 4.39Å; F95-F99 AromaticContact CE1-CE1 3.78Å; F95-F99 HydrophobicContact CE1-CE1 3.78Å; F95-F99 HydrophobicContact CE1-CE2 4.39Å; F95-F99 AromaticContact CE1-CZ 3.79Å; F95-F99 HydrophobicContact CE1-CZ 3.79Å; F95-F99 AromaticContact CG-CD1 3.93Å; F95-F99 HydrophobicContact CG-CD1 3.93Å; F95-F99 HydrophobicContact CG-CE1 4.16Å; F95-F99 HydrophobicContact CG-CG 4.18Å; S96-F99 WeakPolarHBondContact O-CB 3.13Å; S96-F99 PolarHBondContact O-N 3.42Å; S96-F99 WeakPolarHBondContact OG-CB 3.36Å; S96-F99 PolarHBondContact OG-N 3.46Å; F99-I103 HydrophobicContact CD1-CD1 3.82Å; F99-I103 HydrophobicContact CD2-CD1 3.82Å; F99-I103 HydrophobicContact CE1-CD1 3.34Å; F99-I103 HydrophobicContact CE2-CD1 3.32Å; F99-I103 HydrophobicContact CG-CD1 4.04Å; F99-I103 HydrophobicContact CZ-CD1 3.06Å; F99-I103 HydrophobicContact CZ-CG1 4.5Å; F99-I103 WeakPolarHBondContact O-CB 3.36Å; F99-I103 WeakPolarHBondContact O-CG1 3.49Å; F99-I103 PolarHBondContact O-N 2.95Å; F99-I120 HydrophobicContact CE2-CB 4.31Å; F99-Y123 VanDerWaalsContact CD2-CB 3.49Å; F99-L124 HydrophobicContact CE2-CD2 3.68Å; F99-L124 HydrophobicContact CE2-CG 4.36Å; F99-L124 HydrophobicContact CZ-CD2 4.13Å
100	F	71.4	Confident	68.7	Low	131 Å²	131	75.1 Å²	75.1	58%	0.575	40%	0.404	S	S	*	.	H	α-helix	trans	-71.2	-38.2	-177.8	-67.6	-73.4	0	0	0	112.5	F95 D98 K104	F95-F100 HydrophobicContact CB-CE2 4.5Å; F95-F100 HydrophobicContact CD2-CE2 4.43Å; F95-F100 HydrophobicContact CD2-CZ 4.35Å; D98-F100 VanDerWaalsContact C-N 3.27Å; D98-F100 PolarHBondContact O-N 3.39Å; F100-K104 VanDerWaalsContact O-CB 3.25Å; F100-K104 WeakPolarHBondContact O-CB 3.38Å; F100-K104 PolarHBondContact O-N 3.32Å
101	E	74.6	Confident	68.5	Low	114 Å²	114	76.8 Å²	76.8	53%	0.533	43%	0.431	S	S	.	.	H	α-helix	trans	-64.5	-47.5	174.5	-62.5	-57.3	152.9	0	0	110.6	D98 I103 K104 D105	D98-E101 PolarHBondContact O-N 3.24Å; E101-I103 VanDerWaalsContact C-N 3.28Å; E101-I103 PolarHBondContact O-N 2.96Å; E101-K104 WeakPolarHBondContact O-CB 3.28Å; E101-K104 PolarHBondContact O-N 3.29Å; E101-D105 PolarHBondContact O-N 3.39Å
102	K	73	Confident	68.2	Low	86 Å²	86	80.3 Å²	80.3	37%	0.374	44%	0.444	S	S	.	.	H	α-helix	trans	-66.9	-27.4	-179.2	-67.8	-176.6	-173.4	170.4	0	113.7	D98 Y123	D98-K102 HydrophobicContact CB-CD 4.18Å; D98-K102 HydrophobicContact CB-CG 4.2Å; D98-K102 WeakPolarHBondContact O-CB 3.36Å; D98-K102 VanDerWaalsContact O-CG 3.31Å; D98-K102 WeakPolarHBondContact O-CG 3.49Å; D98-K102 PolarHBondContact O-N 3.39Å; D98-K102 IonicContact OD2-NZ 2.77Å; K102-Y123 HydrophobicContact CB-CE1 4.16Å; K102-Y123 HydrophobicContact CB-CE2 4.2Å; K102-Y123 HydrophobicContact CD-CD1 3.65Å; K102-Y123 HydrophobicContact CD-CE1 3.16Å; K102-Y123 HydrophobicContact CG-CE1 4.25Å
103	I	71.8	Confident	68.4	Low	32 Å²	32	86.6 Å²	86.6	16%	0.164	46%	0.461	C	S	.	.	H	α-helix	trans	-81.8	-37.9	174.9	-79.3	174.5	0	0	0	111.9	F99 E101 D105 M106 I115 I120	F99-I103 HydrophobicContact CD1-CD1 3.82Å; F99-I103 HydrophobicContact CD2-CD1 3.82Å; F99-I103 HydrophobicContact CE1-CD1 3.34Å; F99-I103 HydrophobicContact CE2-CD1 3.32Å; F99-I103 HydrophobicContact CG-CD1 4.04Å; F99-I103 HydrophobicContact CZ-CD1 3.06Å; F99-I103 HydrophobicContact CZ-CG1 4.5Å; F99-I103 WeakPolarHBondContact O-CB 3.36Å; F99-I103 WeakPolarHBondContact O-CG1 3.49Å; F99-I103 PolarHBondContact O-N 2.95Å; E101-I103 VanDerWaalsContact C-N 3.28Å; E101-I103 PolarHBondContact O-N 2.96Å; I103-D105 PolarHBondContact O-N 3.23Å; I103-M106 HydrophobicContact CG1-CE 4.46Å; I103-M106 VanDerWaalsContact O-CB 3.29Å; I103-M106 WeakPolarHBondContact O-CB 3.31Å; I103-M106 PolarHBondContact O-N 3.38Å; I103-I115 HydrophobicContact CG2-CD1 3.38Å; I103-I120 HydrophobicContact CD1-CB 4.37Å; I103-I120 HydrophobicContact CD1-CG2 3.54Å; I103-I120 HydrophobicContact CG1-CG2 3.86Å
104	K	73.6	Confident	68.7	Low	159 Å²	159	91.8 Å²	91.8	69%	0.691	49%	0.485	S	S	*	.	H	α-helix	trans	-56.9	-39.5	178	-179.3	-175.2	172	-164.9	0	111.4	F100 E101 M106	F100-K104 VanDerWaalsContact O-CB 3.25Å; F100-K104 WeakPolarHBondContact O-CB 3.38Å; F100-K104 PolarHBondContact O-N 3.32Å; E101-K104 WeakPolarHBondContact O-CB 3.28Å; E101-K104 PolarHBondContact O-N 3.29Å; K104-M106 VanDerWaalsContact C-N 3.32Å
105	D	70.7	Confident	68.9	Low	124 Å²	124	94.4 Å²	94.4	66%	0.663	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	3.1	-179.7	-59.7	-26.6	0	0	0	113.3	E101 I103 P107	E101-D105 PolarHBondContact O-N 3.39Å; I103-D105 PolarHBondContact O-N 3.23Å; D105-P107 VanDerWaalsContact O-CD 3.28Å; D105-P107 WeakPolarHBondContact O-CD 3.42Å
106	M	70.3	Confident	69.1	Low	35 Å²	35	96.3 Å²	96.3	17%	0.172	51%	0.514	C	S	.	.			trans	-72.8	118.9	-177.8	-165.7	178.1	-72.3	0	0	109.8	I103 K104 L108 I115 C119 I120 Y123	I103-M106 HydrophobicContact CG1-CE 4.46Å; I103-M106 VanDerWaalsContact O-CB 3.29Å; I103-M106 WeakPolarHBondContact O-CB 3.31Å; I103-M106 PolarHBondContact O-N 3.38Å; K104-M106 VanDerWaalsContact C-N 3.32Å; M106-L108 PolarHBondContact O-N 2.87Å; M106-L108 VanDerWaalsContact O-N 3.08Å; M106-I115 HydrophobicContact CE-CG2 4.26Å; M106-I115 HydrophobicContact SD-CG2 3.33Å; M106-I115 WeakPolarHBondContact SD-CG2 3.46Å; M106-C119 HydrophobicContact CE-CB 3.72Å; M106-C119 HydrophobicContact SD-CB 3.51Å; M106-C119 VanDerWaalsContact SD-CB 3.51Å; M106-I120 HydrophobicContact CE-CG2 4.27Å; M106-Y123 HydrophobicContact CE-CE2 4.02Å
107	P	69.2	Low	69.1	Low	101 Å²	101	100.4 Å²	100.4	66%	0.656	53%	0.527	S	S	*	.			trans	-65.4	116.2	177.6	25.4	-31.5	0	0	0	108.7	D105 Q109	D105-P107 VanDerWaalsContact O-CD 3.28Å; D105-P107 WeakPolarHBondContact O-CD 3.42Å; P107-Q109 PolarHBondContact O-N 3.22Å
108	L	67.2	Low	69.4	Low	101 Å²	101	101.9 Å²	101.9	53%	0.529	53%	0.528	S	S	.	.			trans	-67.4	98.7	173.5	-67.1	103.7	0	0	0	108.2	M106 N110 N112	M106-L108 PolarHBondContact O-N 2.87Å; M106-L108 VanDerWaalsContact O-N 3.08Å; L108-N110 PolarHBondContact O-N 3.44Å; L108-N112 WeakPolarHBondContact CD2-O 3.45Å
109	Q	61.3	Low	69.4	Low	148 Å²	148	100.9 Å²	100.9	69%	0.692	53%	0.525	S	S	*	.	G	3₁₀ helix	trans	-61.2	122.6	173.5	-65.7	-106.3	-5.4	0	0	108	P107	P107-Q109 PolarHBondContact O-N 3.22Å
110	N	62	Low	69.2	Low	140 Å²	140	101.6 Å²	101.6	75%	0.749	53%	0.53	S	S	*	.	G	3₁₀ helix	trans	74.5	29	167.8	-52.6	-22.8	0	0	0	117.9	L108 N112	L108-N110 PolarHBondContact O-N 3.44Å; N110-N112 PolarHBondContact O-N 3.26Å
111	G	65.1	Low	69.2	Low	71 Å²	71	103.3 Å²	103.3	73%	0.732	53%	0.532	S	S	*	.	G	3₁₀ helix	trans	68.2	2.3	172.9	0	0	0	0	0	114.7	K113	G111-K113 PolarHBondContact O-N 3.39Å
112	N	61	Low	69	Low	101 Å²	101	104.8 Å²	104.8	54%	0.54	54%	0.539	S	S	.	.			trans	-72.7	121	171.7	-72.8	-25.3	0	0	0	108.3	L108 N110 N114	L108-N112 WeakPolarHBondContact CD2-O 3.45Å; N110-N112 PolarHBondContact O-N 3.26Å; N112-N114 PolarHBondContact O-N 3.07Å
113	K	69.1	Low	68.7	Low	188 Å²	188	102.9 Å²	102.9	82%	0.817	53%	0.53	S	S	*	.	S	Bend	trans	-64.7	-4.7	175.9	-60.7	-178.1	-178.6	-179	0	113.8	G111	G111-K113 PolarHBondContact O-N 3.39Å
114	N	69.1	Low	68.4	Low	136 Å²	136	104 Å²	104	73%	0.727	54%	0.536	S	S	*	.	S	Bend	trans	-105.7	126.8	-173.8	-61.9	-25.4	0	0	0	109.7	N112	N112-N114 PolarHBondContact O-N 3.07Å
115	I	67.4	Low	68	Low	61 Å²	61	97.6 Å²	97.6	31%	0.313	51%	0.511	S	S	.	.			trans	-77.4	125.2	173.1	-61.4	157.1	0	0	0	108.4	I103 M106 F117 C119 I120	I103-I115 HydrophobicContact CG2-CD1 3.38Å; M106-I115 HydrophobicContact CE-CG2 4.26Å; M106-I115 HydrophobicContact SD-CG2 3.33Å; M106-I115 WeakPolarHBondContact SD-CG2 3.46Å; I115-F117 PolarHBondContact O-N 2.76Å; I115-C119 HydrophobicContact CG2-CB 4.15Å; I115-I120 HydrophobicContact CG2-CG2 3.56Å
116	P	72.9	Confident	67.6	Low	77 Å²	77	100.4 Å²	100.4	50%	0.5	51%	0.513	S	S	.	.			trans	-57.7	138.1	175.5	-23.1	33.3	0	0	0	111.4	D118 C119	P116-D118 PolarHBondContact O-N 3.07Å; P116-C119 WeakPolarHBondContact O-CB 3.46Å; P116-C119 PolarHBondContact O-N 3.49Å
117	F	68.1	Low	67	Low	126 Å²	126	104.5 Å²	104.5	55%	0.553	54%	0.542	S	S	*	.	H	α-helix	trans	-55.7	-38.8	-177.7	177.7	-102.5	0	0	0	112.4	I115 C119 I120 R121 L124	I115-F117 PolarHBondContact O-N 2.76Å; F117-C119 PolarHBondContact O-N 2.94Å; F117-I120 HydrophobicContact CD2-CD1 4.41Å; F117-I120 HydrophobicContact CD2-CG1 4.41Å; F117-I120 VanDerWaalsContact O-CG1 3.23Å; F117-I120 WeakPolarHBondContact O-CG1 3.49Å; F117-I120 PolarHBondContact O-N 3.31Å; F117-I120 VanDerWaalsContact O-N 3.12Å; F117-R121 HydrophobicContact CE1-CB 4.41Å; F117-R121 HydrophobicContact CE1-CG 4.24Å; F117-R121 PolarHBondContact O-N 2.9Å; F117-L124 HydrophobicContact CE2-CD1 3.76Å; F117-L124 HydrophobicContact CZ-CD1 4.28Å
118	D	73.3	Confident	66.6	Low	121 Å²	121	108 Å²	108	65%	0.647	55%	0.549	S	S	*	.	H	α-helix	trans	-60.9	-30.2	-179.9	-63.8	-42.1	0	0	0	112.8	P116	P116-D118 PolarHBondContact O-N 3.07Å
119	C	71.1	Confident	66.4	Low	50 Å²	50	106.8 Å²	106.8	34%	0.338	54%	0.544	S	S	.	.	H	α-helix	trans	-73	-30.4	178.6	-58.7	0	0	0	0	112.8	M106 I115 P116 F117 Y123	M106-C119 HydrophobicContact CE-CB 3.72Å; M106-C119 HydrophobicContact SD-CB 3.51Å; M106-C119 VanDerWaalsContact SD-CB 3.51Å; I115-C119 HydrophobicContact CG2-CB 4.15Å; P116-C119 WeakPolarHBondContact O-CB 3.46Å; P116-C119 PolarHBondContact O-N 3.49Å; F117-C119 PolarHBondContact O-N 2.94Å; C119-Y123 WeakPolarHBondContact O-CE2 3.42Å
120	I	71.5	Confident	66.3	Low	31 Å²	31	104.5 Å²	104.5	16%	0.159	54%	0.542	C	S	.	.	H	α-helix	trans	-95.3	-15	179.4	61.2	168.7	0	0	0	113.3	F99 I103 M106 I115 F117 Q122 Y123 L124	F99-I120 HydrophobicContact CE2-CB 4.31Å; I103-I120 HydrophobicContact CD1-CB 4.37Å; I103-I120 HydrophobicContact CD1-CG2 3.54Å; I103-I120 HydrophobicContact CG1-CG2 3.86Å; M106-I120 HydrophobicContact CE-CG2 4.27Å; I115-I120 HydrophobicContact CG2-CG2 3.56Å; F117-I120 HydrophobicContact CD2-CD1 4.41Å; F117-I120 HydrophobicContact CD2-CG1 4.41Å; F117-I120 VanDerWaalsContact O-CG1 3.23Å; F117-I120 WeakPolarHBondContact O-CG1 3.49Å; F117-I120 PolarHBondContact O-N 3.31Å; F117-I120 VanDerWaalsContact O-N 3.12Å; I120-Q122 PolarHBondContact O-N 3.3Å; I120-Q122 VanDerWaalsContact O-N 3.1Å; I120-Y123 PolarHBondContact O-N 2.86Å; I120-L124 HydrophobicContact CD1-CD1 4.37Å; I120-L124 HydrophobicContact CG1-CD1 4.41Å; I120-L124 PolarHBondContact O-N 2.92Å
121	R	70.5	Confident	66.1	Low	168 Å²	168	100.2 Å²	100.2	63%	0.634	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-36.3	-175.5	-172.5	177.3	179.1	-178.1	-1	113.3	F117 Y123	F117-R121 HydrophobicContact CE1-CB 4.41Å; F117-R121 HydrophobicContact CE1-CG 4.24Å; F117-R121 PolarHBondContact O-N 2.9Å; R121-Y123 VanDerWaalsContact C-N 3.3Å; R121-Y123 PolarHBondContact O-N 3.4Å
122	Q	70.8	Confident	65.6	Low	145 Å²	145	98 Å²	98	68%	0.678	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-15.6	178.1	64.2	-177.3	-1	0	0	114.5	I120	I120-Q122 PolarHBondContact O-N 3.3Å; I120-Q122 VanDerWaalsContact O-N 3.1Å
123	Y	66.7	Low	65.4	Low	46 Å²	46	101.9 Å²	101.9	18%	0.18	51%	0.506	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-13.5	-177.9	-53.4	-56.1	0	0	0	113.4	S96 F99 K102 M106 C119 I120 R121	S96-Y123 PolarHBondContact N-O 3.41Å; S96-Y123 VanDerWaalsContact N-O 3.15Å; S96-Y123 PolarHBondContact OG-O 2.84Å; S96-Y123 VanDerWaalsContact OG-O 3.14Å; F99-Y123 VanDerWaalsContact CD2-CB 3.49Å; K102-Y123 HydrophobicContact CB-CE1 4.16Å; K102-Y123 HydrophobicContact CB-CE2 4.2Å; K102-Y123 HydrophobicContact CD-CD1 3.65Å; K102-Y123 HydrophobicContact CD-CE1 3.16Å; K102-Y123 HydrophobicContact CG-CE1 4.25Å; M106-Y123 HydrophobicContact CE-CE2 4.02Å; C119-Y123 WeakPolarHBondContact O-CE2 3.42Å; I120-Y123 PolarHBondContact O-N 2.86Å; R121-Y123 VanDerWaalsContact C-N 3.3Å; R121-Y123 PolarHBondContact O-N 3.4Å
124	L	65.5	Low	64.6	Low	54 Å²	54	96 Å²	96	28%	0.283	49%	0.489	S	S	.	.	B	Isolated β-bridge	trans	-73.6	130.4	170	-63.7	175.4	0	0	0	108.7	F95 F99 F117 I120 R126	F95-L124 HydrophobicContact CD1-CD2 4.09Å; F95-L124 HydrophobicContact CE1-CD2 4.07Å; F99-L124 HydrophobicContact CE2-CD2 3.68Å; F99-L124 HydrophobicContact CE2-CG 4.36Å; F99-L124 HydrophobicContact CZ-CD2 4.13Å; F117-L124 HydrophobicContact CE2-CD1 3.76Å; F117-L124 HydrophobicContact CZ-CD1 4.28Å; I120-L124 HydrophobicContact CD1-CD1 4.37Å; I120-L124 HydrophobicContact CG1-CD1 4.41Å; I120-L124 PolarHBondContact O-N 2.92Å; L124-R126 PolarHBondContact O-N 3.4Å
125	S	65.4	Low	63.7	Low	25 Å²	25	92 Å²	92	18%	0.175	47%	0.467	C	S	.	.	P	Polyproline II helix	trans	-64.4	138.5	173.9	65.3	0	0	0	0	109.9	S94	S94-S125 VanDerWaalsContact CA-OG 3.23Å; S94-S125 WeakPolarHBondContact CA-OG 3.45Å; S94-S125 VanDerWaalsContact CB-OG 3.26Å; S94-S125 WeakPolarHBondContact CB-OG 3.5Å; S94-S125 PolarHBondContact N-OG 2.89Å; S94-S125 WeakPolarHBondContact O-CB 3.36Å; S94-S125 PolarHBondContact O-N 3.02Å; S94-S125 PolarHBondContact O-OG 3.44Å; S94-S125 WeakPolarHBondContact OG-CB 3.41Å; S94-S125 PolarHBondContact OG-OG 2.89Å
126	R	62.1	Low	62.8	Low	183 Å²	183	96.3 Å²	96.3	69%	0.691	48%	0.479	S	S	*	.	P	Polyproline II helix	trans	-68.2	153.3	168.2	-63.4	-178.9	178.7	-177	0.9	109.7	L124 E128 D129	L124-R126 PolarHBondContact O-N 3.4Å; R126-E128 PolarHBondContact O-N 2.93Å; R126-E128 VanDerWaalsContact O-N 3.1Å; R126-D129 PolarHBondContact N-OD2 3.07Å; R126-D129 WeakPolarHBondContact O-CB 3.36Å; R126-D129 PolarHBondContact O-N 3.34Å
127	P	58.3	Low	61.6	Low	121 Å²	121	102.2 Å²	102.2	79%	0.786	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-28	173.1	-24.9	33.6	0	0	0	113.6
128	E	61	Low	60.7	Low	175 Å²	175	101.1 Å²	101.1	82%	0.818	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-13.1	177.9	-53.9	-53.7	152.4	0	0	113.8	R126	R126-E128 PolarHBondContact O-N 2.93Å; R126-E128 VanDerWaalsContact O-N 3.1Å
129	D	61.5	Low	59.5	Low	76 Å²	76	98.9 Å²	98.9	41%	0.406	48%	0.475	S	S	.	.	S	Bend	trans	-70.4	138.2	179.8	-74.7	-28.3	0	0	0	110.1	R126	R126-D129 PolarHBondContact N-OD2 3.07Å; R126-D129 WeakPolarHBondContact O-CB 3.36Å; R126-D129 PolarHBondContact O-N 3.34Å
130	P	60.7	Low	58.3	Low	100 Å²	100	106.2 Å²	106.2	65%	0.649	50%	0.495	S	S	*	.	P	Polyproline II helix	trans	-62.4	142.4	175.6	26.4	-33.3	0	0	0	109.8
131	P	57.2	Low	57	Low	50 Å²	50	108.6 Å²	108.6	33%	0.325	51%	0.511	S	S	.	.	P	Polyproline II helix	trans	-57.9	131.9	-179.8	21.1	-31.4	0	0	0	110.1	K133	P131-K133 PolarHBondContact O-N 3.5Å
132	P	54.4	Low	55.8	Low	23 Å²	23	102.1 Å²	102.1	15%	0.149	49%	0.494	C	S	.	.			trans	-44.7	137.1	178.9	-28.7	25.4	0	0	0	112.8	F95 S134 L135 R136	F95-P132 WeakPolarHBondContact O-CG 3.42Å; P132-S134 PolarHBondContact O-N 2.99Å; P132-S134 VanDerWaalsContact O-N 3.1Å; P132-L135 HydrophobicContact CB-CD1 4.32Å; P132-L135 HydrophobicContact CB-CG 4.25Å; P132-L135 HydrophobicContact CG-CD1 3.94Å; P132-L135 HydrophobicContact CG-CG 4.39Å; P132-L135 WeakPolarHBondContact O-CB 3.32Å; P132-L135 PolarHBondContact O-N 3.42Å; P132-R136 PolarHBondContact O-N 3.24Å
133	K	57.7	Low	54.6	Low	183 Å²	183	99 Å²	99	80%	0.796	48%	0.484	S	S	*	.	H	α-helix	trans	-53.4	-34.1	179.8	-70.9	179.9	-178.8	174.5	0	111.9	P131 R136	P131-K133 PolarHBondContact O-N 3.5Å; K133-R136 WeakPolarHBondContact O-CB 3.34Å; K133-R136 PolarHBondContact O-N 3.26Å
134	S	52	Low	53.7	Low	66 Å²	66	107.3 Å²	107.3	46%	0.462	52%	0.515	S	S	.	.	H	α-helix	trans	-62.9	-37.7	175.5	57.4	0	0	0	0	113.3	P132 R136 R137 I138	P132-S134 PolarHBondContact O-N 2.99Å; P132-S134 VanDerWaalsContact O-N 3.1Å; S134-R136 VanDerWaalsContact C-N 3.3Å; S134-R136 PolarHBondContact O-N 2.94Å; S134-R137 WeakPolarHBondContact O-CB 3.41Å; S134-R137 PolarHBondContact O-N 3.06Å; S134-R137 VanDerWaalsContact O-N 3.14Å; S134-I138 PolarHBondContact O-N 3.47Å
135	L	50	Low	52.8	Low	51 Å²	51	114.6 Å²	114.6	27%	0.267	54%	0.539	S	S	.	.	H	α-helix	trans	-70.1	-24.3	176.6	-68.5	178.7	0	0	0	112.7	P132 R137 I138 K139	P132-L135 HydrophobicContact CB-CD1 4.32Å; P132-L135 HydrophobicContact CB-CG 4.25Å; P132-L135 HydrophobicContact CG-CD1 3.94Å; P132-L135 HydrophobicContact CG-CG 4.39Å; P132-L135 WeakPolarHBondContact O-CB 3.32Å; P132-L135 PolarHBondContact O-N 3.42Å; L135-R137 PolarHBondContact O-N 3.41Å; L135-I138 HydrophobicContact CD2-CD1 4.34Å; L135-I138 PolarHBondContact O-N 3.03Å; L135-K139 WeakPolarHBondContact O-CB 3.45Å; L135-K139 PolarHBondContact O-N 3.47Å
136	R	48.2	Very low	51.9	Low	151 Å²	151	120.6 Å²	120.6	57%	0.57	56%	0.558	S	S	*	*	H	α-helix	trans	-61.3	-36.1	170.3	-68.8	-173.5	-166.6	176.6	3	111.5	P132 K133 S134	P132-R136 PolarHBondContact O-N 3.24Å; K133-R136 WeakPolarHBondContact O-CB 3.34Å; K133-R136 PolarHBondContact O-N 3.26Å; S134-R136 VanDerWaalsContact C-N 3.3Å; S134-R136 PolarHBondContact O-N 2.94Å
137	R	47.6	Very low	51.1	Low	202 Å²	202	116.9 Å²	116.9	76%	0.762	56%	0.56	S	S	*	*	H	α-helix	trans	-73.3	-43.6	178.5	-168.3	175.9	174.7	-175.8	-2	111.2	S134 L135 K139 R140 V141	S134-R137 WeakPolarHBondContact O-CB 3.41Å; S134-R137 PolarHBondContact O-N 3.06Å; S134-R137 VanDerWaalsContact O-N 3.14Å; L135-R137 PolarHBondContact O-N 3.41Å; R137-K139 PolarHBondContact O-N 2.83Å; R137-R140 PolarHBondContact O-N 3.46Å; R137-V141 PolarHBondContact O-N 3.27Å
138	I	49.8	Very low	50.4	Low	102 Å²	102	121.6 Å²	121.6	52%	0.523	56%	0.562	S	S	.	*	H	α-helix	trans	-65.5	-37.4	177.4	-60.2	176.2	0	0	0	111.4	S134 L135 R140 V141 A142	S134-I138 PolarHBondContact O-N 3.47Å; L135-I138 HydrophobicContact CD2-CD1 4.34Å; L135-I138 PolarHBondContact O-N 3.03Å; I138-R140 PolarHBondContact O-N 3.26Å; I138-V141 PolarHBondContact O-N 3.42Å; I138-A142 WeakPolarHBondContact O-CB 3.39Å; I138-A142 PolarHBondContact O-N 2.91Å
139	K	47.3	Very low	49.2	Very low	74 Å²	74	120.1 Å²	120.1	32%	0.322	56%	0.555	S	S	.	*	H	α-helix	trans	-55.6	-37.1	173.5	-94.1	-179.4	175.7	171	0	112.4	E90 L135 R137 V143	E90-K139 PolarHBondContact O-NZ 2.93Å; L135-K139 WeakPolarHBondContact O-CB 3.45Å; L135-K139 PolarHBondContact O-N 3.47Å; R137-K139 PolarHBondContact O-N 2.83Å; K139-V143 WeakPolarHBondContact O-CB 3.3Å; K139-V143 WeakPolarHBondContact O-CG2 3.43Å; K139-V143 PolarHBondContact O-N 3.34Å; K139-V143 VanDerWaalsContact O-N 3.15Å
140	R	45.6	Very low	48.5	Very low	204 Å²	204	123.2 Å²	123.2	77%	0.77	57%	0.571	S	S	*	*	H	α-helix	trans	-66.8	-38.6	176.1	-64.9	-174.1	-171.1	-171.4	2.5	112.3	R137 I138	R137-R140 PolarHBondContact O-N 3.46Å; I138-R140 PolarHBondContact O-N 3.26Å
141	V	44.3	Very low	47.7	Very low	82 Å²	82	127.1 Å²	127.1	50%	0.497	57%	0.573	S	S	.	*	H	α-helix	trans	-77.3	-41	-178.3	-176.9	0	0	0	0	111.6	R137 I138 V143 R144 R145	R137-V141 PolarHBondContact O-N 3.27Å; I138-V141 PolarHBondContact O-N 3.42Å; V141-V143 PolarHBondContact O-N 2.85Å; V141-R144 PolarHBondContact O-N 2.87Å; V141-R145 PolarHBondContact O-N 3.45Å
142	A	45.5	Very low	46.9	Very low	32 Å²	32	129.3 Å²	129.3	26%	0.264	58%	0.582	S	S	.	*	H	α-helix	trans	-65.7	-37.9	177.9	0	0	0	0	0	112.1	I138 R144 R145 R146	I138-A142 WeakPolarHBondContact O-CB 3.39Å; I138-A142 PolarHBondContact O-N 2.91Å; A142-R144 VanDerWaalsContact C-N 3.32Å; A142-R144 PolarHBondContact O-N 3.09Å; A142-R145 PolarHBondContact O-N 3.13Å; A142-R146 WeakPolarHBondContact O-CG 3.4Å; A142-R146 PolarHBondContact O-N 2.79Å; A142-R146 VanDerWaalsContact O-N 3.14Å
143	V	47	Very low	46.5	Very low	78 Å²	78	131.8 Å²	131.8	47%	0.473	60%	0.596	S	S	.	*	H	α-helix	trans	-61.8	-39.4	174.9	170.3	0	0	0	0	111.4	K139 V141 R145 R146	K139-V143 WeakPolarHBondContact O-CB 3.3Å; K139-V143 WeakPolarHBondContact O-CG2 3.43Å; K139-V143 PolarHBondContact O-N 3.34Å; K139-V143 VanDerWaalsContact O-N 3.15Å; V141-V143 PolarHBondContact O-N 2.85Å; V143-R145 VanDerWaalsContact C-N 3.31Å; V143-R145 PolarHBondContact O-N 3Å; V143-R146 PolarHBondContact O-N 2.87Å
144	R	46.9	Very low	45.5	Very low	222 Å²	222	125.2 Å²	125.2	84%	0.838	58%	0.58	S	S	*	*	H	α-helix	trans	-65.4	-30	175.2	-96.4	-177.1	172.3	146.1	-1.7	113.6	V141 A142	V141-R144 PolarHBondContact O-N 2.87Å; A142-R144 VanDerWaalsContact C-N 3.32Å; A142-R144 PolarHBondContact O-N 3.09Å
145	R	46.4	Very low	45.1	Very low	207 Å²	207	126.8 Å²	126.8	78%	0.781	58%	0.58	S	S	*	*	H	α-helix	trans	-85.6	-13.4	178.2	-72	-173.7	169.9	-178.2	-2.5	114.3	V141 A142 V143 S147	V141-R145 PolarHBondContact O-N 3.45Å; A142-R145 PolarHBondContact O-N 3.13Å; V143-R145 VanDerWaalsContact C-N 3.31Å; V143-R145 PolarHBondContact O-N 3Å; R145-S147 VanDerWaalsContact C-N 3.29Å; R145-S147 PolarHBondContact O-N 2.87Å
146	R	47.2	Very low	45	Very low	150 Å²	150	128.9 Å²	128.9	57%	0.566	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79	2.6	-178.8	-78.4	-174.1	-154.3	-176.8	9.5	115.5	A142 V143 R148	A142-R146 WeakPolarHBondContact O-CG 3.4Å; A142-R146 PolarHBondContact O-N 2.79Å; A142-R146 VanDerWaalsContact O-N 3.14Å; V143-R146 PolarHBondContact O-N 2.87Å; R146-R148 VanDerWaalsContact C-N 3.32Å
147	S	45.1	Very low	44.9	Very low	106 Å²	106	126.4 Å²	126.4	74%	0.741	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.9	-2.8	174	83.4	0	0	0	0	114	R145 H149	R145-S147 VanDerWaalsContact C-N 3.29Å; R145-S147 PolarHBondContact O-N 2.87Å; S147-H149 VanDerWaalsContact C-N 3.29Å; S147-H149 PolarHBondContact O-N 2.8Å
148	R	42.7	Very low	44.7	Very low	220 Å²	220	123.5 Å²	123.5	83%	0.83	58%	0.583	S	S	*	*	S	Bend	trans	-73.3	97	163.6	-70.8	-168.1	-163.5	174.4	4.6	107.4	R146 L150	R146-R148 VanDerWaalsContact C-N 3.32Å; R148-L150 PolarHBondContact O-N 3.3Å
149	H	36.5	Very low	44.5	Very low	144 Å²	144	125.3 Å²	125.3	67%	0.667	59%	0.589	S	S	*	*			trans	-44.4	101.3	168.5	-157.5	6.8	0	0	0	108	S147 R151	S147-H149 VanDerWaalsContact C-N 3.29Å; S147-H149 PolarHBondContact O-N 2.8Å; H149-R151 PolarHBondContact NE2-NE 3.5Å; H149-R151 PolarHBondContact O-N 3.43Å
150	L	46.8	Very low	44.3	Very low	141 Å²	141	129.2 Å²	129.2	74%	0.738	61%	0.608	S	S	*	*			trans	-71.2	68.2	169	-74.4	170.6	0	0	0	107.5	R148 N152 V153	R148-L150 PolarHBondContact O-N 3.3Å; L150-N152 PolarHBondContact O-N 2.95Å; L150-V153 HydrophobicContact CB-CG2 4.18Å; L150-V153 HydrophobicContact CD1-CG2 4.47Å
151	R	43.2	Very low	44.1	Very low	181 Å²	181	125 Å²	125	68%	0.683	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.7	-12.1	170.1	-104.2	-174.8	-172.9	-153.9	-1.5	112.1	H149	H149-R151 PolarHBondContact NE2-NE 3.5Å; H149-R151 PolarHBondContact O-N 3.43Å
152	N	40.9	Very low	43.4	Very low	96 Å²	96	125.6 Å²	125.6	51%	0.513	61%	0.607	S	S	.	*	H	α-helix	trans	-98.8	-1.8	-170.8	-60.2	16.1	0	0	0	114.4	L150 E155 I156	L150-N152 PolarHBondContact O-N 2.95Å; N152-E155 PolarHBondContact O-N 3.41Å; N152-I156 WeakPolarHBondContact O-CD1 3.4Å; N152-I156 WeakPolarHBondContact O-CG1 3.32Å; N152-I156 PolarHBondContact O-N 3.35Å
153	V	45.7	Very low	42.9	Very low	75 Å²	75	129.6 Å²	129.6	46%	0.455	63%	0.63	S	S	.	*	H	α-helix	trans	-75.4	-32.5	176.6	179.7	0	0	0	0	111.3	L150 I157	L150-V153 HydrophobicContact CB-CG2 4.18Å; L150-V153 HydrophobicContact CD1-CG2 4.47Å; V153-I157 HydrophobicContact CG1-CD1 4.22Å; V153-I157 WeakPolarHBondContact O-CG1 3.41Å; V153-I157 PolarHBondContact O-N 2.92Å
154	G	36.2	Very low	42.4	Very low	45 Å²	45	131.5 Å²	131.5	46%	0.464	64%	0.643	S	S	.	*	H	α-helix	trans	-62.2	-44.9	169.3	0	0	0	0	0	111.4	I157 E158	G154-I157 PolarHBondContact O-N 2.91Å; G154-E158 WeakPolarHBondContact O-CG 3.25Å; G154-E158 PolarHBondContact O-N 3.27Å
155	E	44.8	Very low	41.6	Very low	99 Å²	99	127.8 Å²	127.8	46%	0.463	64%	0.639	S	S	.	*	H	α-helix	trans	-68.9	-35.9	-179.1	-72.1	177.5	169	0	0	113.7	N152 I157 E158 Q159	N152-E155 PolarHBondContact O-N 3.41Å; E155-I157 VanDerWaalsContact C-N 3.3Å; E155-I157 PolarHBondContact O-N 3.34Å; E155-E158 PolarHBondContact O-N 3.45Å; E155-Q159 VanDerWaalsContact O-CB 3.26Å; E155-Q159 WeakPolarHBondContact O-CB 3.43Å; E155-Q159 VanDerWaalsContact O-CG 3.23Å; E155-Q159 WeakPolarHBondContact O-CG 3.49Å; E155-Q159 PolarHBondContact O-N 3.5Å
156	I	48	Very low	41	Very low	95 Å²	95	124.2 Å²	124.2	49%	0.487	64%	0.635	S	S	.	*	H	α-helix	trans	-66.7	-35.6	176.6	-66.1	161	0	0	0	110.6	N152 H160	N152-I156 WeakPolarHBondContact O-CD1 3.4Å; N152-I156 WeakPolarHBondContact O-CG1 3.32Å; N152-I156 PolarHBondContact O-N 3.35Å; I156-H160 PolarHBondContact O-CD2 3.43Å; I156-H160 PolarHBondContact O-N 3.09Å
157	I	45.3	Very low	40.1	Very low	100 Å²	100	124.3 Å²	124.3	51%	0.513	65%	0.646	S	S	.	*	H	α-helix	trans	-74.7	-39.9	177.7	-64.2	172	0	0	0	110.4	V153 G154 E155 L161	V153-I157 HydrophobicContact CG1-CD1 4.22Å; V153-I157 WeakPolarHBondContact O-CG1 3.41Å; V153-I157 PolarHBondContact O-N 2.92Å; G154-I157 PolarHBondContact O-N 2.91Å; E155-I157 VanDerWaalsContact C-N 3.3Å; E155-I157 PolarHBondContact O-N 3.34Å; I157-L161 HydrophobicContact CG2-CD1 3.6Å; I157-L161 WeakPolarHBondContact O-CB 3.47Å; I157-L161 WeakPolarHBondContact O-CD1 3.25Å; I157-L161 WeakPolarHBondContact O-CG 3.36Å; I157-L161 PolarHBondContact O-N 2.89Å
158	E	44.6	Very low	39.5	Very low	141 Å²	141	123.9 Å²	123.9	66%	0.659	64%	0.643	S	S	*	*	H	α-helix	trans	-70.4	-37.6	177.8	-75.6	-178	172.2	0	0	113.4	G154 E155 H160 L161 C162	G154-E158 WeakPolarHBondContact O-CG 3.25Å; G154-E158 PolarHBondContact O-N 3.27Å; E155-E158 PolarHBondContact O-N 3.45Å; E158-H160 VanDerWaalsContact C-N 3.3Å; E158-H160 PolarHBondContact O-N 3.3Å; E158-L161 PolarHBondContact O-N 3.4Å; E158-C162 PolarHBondContact O-N 2.88Å
159	Q	45.5	Very low	38.9	Very low	140 Å²	140	122.1 Å²	122.1	65%	0.654	64%	0.642	S	S	*	*	H	α-helix	trans	-69.6	-25.3	178.5	-74.2	177.8	11.2	0	0	113.3	E155	E155-Q159 VanDerWaalsContact O-CB 3.26Å; E155-Q159 WeakPolarHBondContact O-CB 3.43Å; E155-Q159 VanDerWaalsContact O-CG 3.23Å; E155-Q159 WeakPolarHBondContact O-CG 3.49Å; E155-Q159 PolarHBondContact O-N 3.5Å
160	H	41.8	Very low	38.6	Very low	155 Å²	155	125 Å²	125	72%	0.718	66%	0.655	S	S	*	*	H	α-helix	trans	-92.8	-14.4	177.1	-68.3	-50.5	0	0	0	114	I156 E158	I156-H160 PolarHBondContact O-CD2 3.43Å; I156-H160 PolarHBondContact O-N 3.09Å; E158-H160 VanDerWaalsContact C-N 3.3Å; E158-H160 PolarHBondContact O-N 3.3Å
161	L	41.4	Very low	37.9	Very low	115 Å²	115	123.8 Å²	123.8	60%	0.602	65%	0.654	S	S	*	*	H	α-helix	trans	-93.7	-10.9	176.7	-78.1	164.7	0	0	0	113.9	I157 E158 P163	I157-L161 HydrophobicContact CG2-CD1 3.6Å; I157-L161 WeakPolarHBondContact O-CB 3.47Å; I157-L161 WeakPolarHBondContact O-CD1 3.25Å; I157-L161 WeakPolarHBondContact O-CG 3.36Å; I157-L161 PolarHBondContact O-N 2.89Å; E158-L161 PolarHBondContact O-N 3.4Å; L161-P163 WeakPolarHBondContact O-CD 3.45Å
162	C	30.6	Very low	37.3	Very low	95 Å²	95	124 Å²	124	64%	0.642	66%	0.662	S	S	*	*	S	Bend	trans	-87.8	103.8	166.7	-96.2	0	0	0	0	109	E158 T164	E158-C162 PolarHBondContact O-N 2.88Å; C162-T164 PolarHBondContact O-N 2.91Å
163	P	35.4	Very low	36.9	Very low	116 Å²	116	125.3 Å²	125.3	75%	0.753	68%	0.68	S	S	*	*			trans	-59.9	120.6	168.4	22.6	-26.9	0	0	0	107.2	L161 N165	L161-P163 WeakPolarHBondContact O-CD 3.45Å; P163-N165 PolarHBondContact O-N 3.23Å
164	T	36.4	Very low	36.1	Very low	119 Å²	119	125.5 Å²	125.5	73%	0.73	70%	0.696	S	S	*	*			trans	-47.2	109.2	170.8	-41.7	0	0	0	0	107	C162 I166	C162-T164 PolarHBondContact O-N 2.91Å; T164-I166 HydrophobicContact CG2-CD1 4.29Å; T164-I166 HydrophobicContact CG2-CG1 3.71Å; T164-I166 WeakPolarHBondContact O-CG1 3.44Å; T164-I166 PolarHBondContact O-N 2.93Å
165	N	28.9	Very low	35.9	Very low	143 Å²	143	129.3 Å²	129.3	77%	0.765	72%	0.716	S	S	*	*			trans	-73.8	73.4	174.3	-162.1	-21.4	0	0	0	106.5	P163	P163-N165 PolarHBondContact O-N 3.23Å
166	I	35	Very low	35.2	Very low	133 Å²	133	130 Å²	130	68%	0.682	73%	0.732	S	S	*	*			trans	-80	120.5	170.6	-19.8	179.4	0	0	0	105.1	T164	T164-I166 HydrophobicContact CG2-CD1 4.29Å; T164-I166 HydrophobicContact CG2-CG1 3.71Å; T164-I166 WeakPolarHBondContact O-CG1 3.44Å; T164-I166 PolarHBondContact O-N 2.93Å
167	N	27.8	Very low	34.5	Very low	151 Å²	151	130.8 Å²	130.8	81%	0.807	75%	0.745	S	S	*	*			trans	86.2	81.5	179.5	-63.8	-26.6	0	0	0	117.2
168	S	31	Very low	33.6	Very low	97 Å²	97	136.8 Å²	136.8	68%	0.678	76%	0.763	S	S	*	*	S	Bend		-155.8	135.2	111.3	63.2	0	0	0	0	111.7
169	K	32.1	Very low	33	Very low	184 Å²	184	134 Å²	134	80%	0.8	76%	0.764	S	S	*	*			trans	85.1	75.5	164.5	-47.3	-159.3	179.2	-171.3	0	117.5	T171	K169-T171 PolarHBondContact O-N 3.43Å
170	Q	29.7	Very low	32.4	Very low	203 Å²	203	135.8 Å²	135.8	95%	0.949	77%	0.772	S	S	*	*				-46.6	108.7	125.3	-85.6	175.7	-31.2	0	0	109.1
171	T	32	Very low	31.9	Very low	117 Å²	117	137.1 Å²	137.1	72%	0.718	78%	0.779	S	S	*	*			trans	-156.3	95.9	146.9	26	0	0	0	0	107	K169	K169-T171 PolarHBondContact O-N 3.43Å
172	E	29.5	Very low	31.6	Very low	184 Å²	184	136.9 Å²	136.9	86%	0.86	78%	0.784	S	S	*	*			trans	5.9	115.8	140.1	-61.2	170.3	174.6	0	0	116.9
173	S	34	Very low	31.8	Very low	125 Å²	125	137 Å²	137	87%	0.874	79%	0.787	S	S	*	*				-177.9	127.3	122.4	-80.3	0	0	0	0	109.3
174	G	28.2	Very low	31.7	Very low	78 Å²	78	137.5 Å²	137.5	80%	0.804	79%	0.787	S	S	*	*			trans	-73.1	154.1	-165.2	0	0	0	0	0	116.2
175	S	31	Very low	31.7	Very low	126 Å²	126	137.7 Å²	137.7	88%	0.881	78%	0.783	S	S	*	*			trans	-154.4	129.7	132.3	-98	0	0	0	0	110.6
176	S	31.3	Very low	31.6	Very low	114 Å²	114	138.7 Å²	138.7	80%	0.797	78%	0.783	S	S	*	*			trans	-60.5	131.6	172	149.8	0	0	0	0	111.6
177	S	32.6	Very low	31.5	Very low	110 Å²	110	142.6 Å²	142.6	77%	0.769	79%	0.79	S	S	*	*			trans	-162.2	112.5	145.1	176.9	0	0	0	0	109.7	A179	S177-A179 PolarHBondContact O-N 3.33Å
178	Y	27.9	Very low	31.6	Very low	226 Å²	226	141.8 Å²	141.8	89%	0.886	79%	0.785	S	S	*	*			trans	-41.6	125.3	162.9	-84.9	-110.1	0	0	0	112.1
179	A	30.5	Very low	31.8	Very low	82 Å²	82	142.8 Å²	142.8	68%	0.678	80%	0.8	S	S	*	*			trans	-171	116.9	147.1	0	0	0	0	0	109.8	S177	S177-A179 PolarHBondContact O-N 3.33Å
180	H	34.4	Very low	31.8	Very low	178 Å²	178	136 Å²	136	82%	0.824	78%	0.782	S	S	*	*			trans	61.3	92	160.9	-59.3	-66	0	0	0	117.1	P182	H180-P182 VanDerWaalsContact O-CD 3.25Å; H180-P182 WeakPolarHBondContact O-CD 3.23Å
181	Q	29.8	Very low	31.9	Very low	183 Å²	183	135.1 Å²	135.1	86%	0.855	78%	0.775	S	S	*	*			trans	-52	117.9	145.7	-74.1	-124.2	-33.9	0	0	108.3	S183	Q181-S183 PolarHBondContact O-N 3.41Å; Q181-S183 VanDerWaalsContact O-N 3.11Å
182	P	36.3	Very low	31.8	Very low	111 Å²	111	137.6 Å²	137.6	72%	0.721	78%	0.778	S	S	*	*			trans	-63.3	116.8	162.3	26.4	-28.7	0	0	0	105.4	H180 T184	H180-P182 VanDerWaalsContact O-CD 3.25Å; H180-P182 WeakPolarHBondContact O-CD 3.23Å; P182-T184 PolarHBondContact O-N 2.89Å
183	S	34.1	Very low	32.2	Very low	98 Å²	98	133.9 Å²	133.9	69%	0.685	77%	0.772	S	S	*	*			trans	-48.5	111.7	166.7	55.6	0	0	0	0	106.4	Q181 L185	Q181-S183 PolarHBondContact O-N 3.41Å; Q181-S183 VanDerWaalsContact O-N 3.11Å; S183-L185 PolarHBondContact O-N 3.08Å
184	T	33	Very low	32.2	Very low	126 Å²	126	135.1 Å²	135.1	77%	0.773	77%	0.769	S	S	*	*			trans	-53.4	97.2	166	-15.3	0	0	0	0	104.5	P182 E186	P182-T184 PolarHBondContact O-N 2.89Å; T184-E186 PolarHBondContact O-N 3.29Å
185	L	36.6	Very low	32.3	Very low	123 Å²	123	142.8 Å²	142.8	64%	0.644	77%	0.774	S	S	*	*			trans	-74.3	74.5	168.3	-160.1	72.6	0	0	0	104	S183 W187	S183-L185 PolarHBondContact O-N 3.08Å; L185-W187 HydrophobicContact CD2-CZ2 3.77Å; L185-W187 PolarHBondContact O-N 3.23Å
186	E	26.9	Very low	32.4	Very low	163 Å²	163	142.5 Å²	142.5	76%	0.762	77%	0.767	S	S	*	*			trans	-58.4	91.4	163.7	-173.7	172.7	-174	0	0	104.2	T184 D188	T184-E186 PolarHBondContact O-N 3.29Å; E186-D188 PolarHBondContact O-N 3.18Å
187	W	33.7	Very low	32.3	Very low	215 Å²	215	142.8 Å²	142.8	81%	0.814	76%	0.763	S	S	*	*			trans	-64.7	94.9	166.8	-76.3	91.6	0	0	0	105.2	L185 A189	L185-W187 HydrophobicContact CD2-CZ2 3.77Å; L185-W187 PolarHBondContact O-N 3.23Å; W187-A189 PolarHBondContact O-N 3.16Å
188	D	29.5	Very low	32.4	Very low	135 Å²	135	145.1 Å²	145.1	72%	0.722	77%	0.766	S	S	*	*			trans	-32.4	107.7	163.8	-108.2	-38.5	0	0	0	108.2	E186 G190	E186-D188 PolarHBondContact O-N 3.18Å; D188-G190 PolarHBondContact O-N 2.73Å
189	A	35.7	Very low	32.6	Very low	118 Å²	118	141.3 Å²	141.3	98%	0.975	76%	0.756	S	S	*	*	S	Bend	trans	-68.5	23.1	169.4	0	0	0	0	0	111.5	W187	W187-A189 PolarHBondContact O-N 3.16Å
190	G	31.5	Very low	32.4	Very low	42 Å²	42	147.2 Å²	147.2	43%	0.433	77%	0.766	S	S	.	*			trans	-135.4	87.7	-178.4	0	0	0	0	0	110.3	D188	D188-G190 PolarHBondContact O-N 2.73Å
191	K	32.6	Very low	32.3	Very low	184 Å²	184	144.2 Å²	144.2	80%	0.8	76%	0.761	S	S	*	*	S	Bend	trans	173.5	93.5	133.5	-91.8	164.7	-176.1	-174.6	0	111.3
192	H	29.8	Very low	32.3	Very low	169 Å²	169	140.6 Å²	140.6	78%	0.782	76%	0.756	S	S	*	*			trans	47	98.8	143.2	-40.1	-74.6	0	0	0	118.7
193	S	36	Very low	31.8	Very low	105 Å²	105	140.2 Å²	140.2	73%	0.734	76%	0.755	S	S	*	*			trans	-133.1	105.1	134.2	59.6	0	0	0	0	108	W195	S193-W195 VanDerWaalsContact C-N 3.34Å; S193-W195 PolarHBondContact O-N 3.14Å
194	N	34.9	Very low	31.5	Very low	151 Å²	151	143.2 Å²	143.2	81%	0.807	76%	0.76	S	S	*	*			trans	-52.3	89.9	176	-75.8	-29.9	0	0	0	111.3
195	W	30.6	Very low	31.3	Very low	240 Å²	240	143.3 Å²	143.3	91%	0.909	77%	0.765	S	S	*	*			trans	-113.5	82.8	150.3	-76.9	89.6	0	0	0	106	S193 V197	S193-W195 VanDerWaalsContact C-N 3.34Å; S193-W195 PolarHBondContact O-N 3.14Å; W195-V197 PolarHBondContact O-N 2.76Å
196	T	33.1	Very low	30.8	Very low	119 Å²	119	144 Å²	144	73%	0.73	77%	0.769	S	S	*	*			trans	0.3	108.1	164.5	-30.6	0	0	0	0	114.2	I198	T196-I198 PolarHBondContact O-N 3.48Å
197	V	28.1	Very low	30.7	Very low	120 Å²	120	142.7 Å²	142.7	73%	0.727	77%	0.767	S	S	*	*			trans	-39.3	106.1	155.6	174.5	0	0	0	0	107.8	W195 Q199	W195-V197 PolarHBondContact O-N 2.76Å; V197-Q199 HydrophobicContact CG1-CG 4.09Å; V197-Q199 PolarHBondContact O-N 3.26Å
198	I	34.8	Very low	30.7	Very low	159 Å²	159	138.5 Å²	138.5	82%	0.815	77%	0.765	S	S	*	*			trans	-67.7	93.3	161.9	-65.7	174.9	0	0	0	104.1	T196 K200	T196-I198 PolarHBondContact O-N 3.48Å; I198-K200 PolarHBondContact O-N 3.3Å; I198-K200 VanDerWaalsContact O-N 3.12Å
199	Q	32	Very low	30.6	Very low	146 Å²	146	141.3 Å²	141.3	68%	0.682	77%	0.774	S	S	*	*			trans	-52.7	118.6	173.1	-73.1	178.1	-37.5	0	0	107.6	V197 T201	V197-Q199 HydrophobicContact CG1-CG 4.09Å; V197-Q199 PolarHBondContact O-N 3.26Å; Q199-T201 HydrophobicContact CB-CG2 4.41Å; Q199-T201 PolarHBondContact O-N 3.17Å
200	K	26.7	Very low	30.6	Very low	206 Å²	206	143.2 Å²	143.2	90%	0.896	77%	0.766	S	S	*	*			trans	-59.1	84.8	151.2	-75.2	177	172.7	179.5	0	107.1	I198 S202	I198-K200 PolarHBondContact O-N 3.3Å; I198-K200 VanDerWaalsContact O-N 3.12Å; K200-S202 PolarHBondContact O-N 3.3Å; K200-S202 VanDerWaalsContact O-N 3.12Å
201	T	32.5	Very low	30.4	Very low	115 Å²	115	148 Å²	148	71%	0.706	78%	0.782	S	S	*	*			trans	-80.6	83.7	154.9	47.5	0	0	0	0	106.4	Q199 C203	Q199-T201 HydrophobicContact CB-CG2 4.41Å; Q199-T201 PolarHBondContact O-N 3.17Å; T201-C203 PolarHBondContact O-N 3.45Å
202	S	29.3	Very low	30.3	Very low	107 Å²	107	144.4 Å²	144.4	75%	0.748	78%	0.779	S	S	*	*			trans	-56.9	109.2	156.4	-173.6	0	0	0	0	107.1	K200	K200-S202 PolarHBondContact O-N 3.3Å; K200-S202 VanDerWaalsContact O-N 3.12Å
203	C	27	Very low	30.4	Very low	104 Å²	104	142.1 Å²	142.1	70%	0.703	78%	0.779	S	S	*	*			trans	-65.5	144.4	159.6	-74.6	0	0	0	0	108.9	T201	T201-C203 PolarHBondContact O-N 3.45Å
204	M	26.7	Very low	30.1	Very low	161 Å²	161	142.5 Å²	142.5	79%	0.793	78%	0.782	S	S	*	*			trans	81	77.4	166.4	-48	-78.6	87.4	0	0	116.6
205	S	30.3	Very low	30.1	Very low	127 Å²	127	144 Å²	144	89%	0.888	78%	0.784	S	S	*	*				-147.8	123.2	127.6	-142.8	0	0	0	0	109.4
206	L	26.1	Very low	30.1	Very low	137 Å²	137	139.8 Å²	139.8	72%	0.717	78%	0.779	S	S	*	*			trans	-74.4	156.2	-179.4	-129	77.6	0	0	0	109.9
207	D	24.4	Very low	30.3	Very low	136 Å²	136	139.8 Å²	139.8	73%	0.727	78%	0.784	S	S	*	*			trans	71.2	97.2	158.5	-50.3	-27.3	0	0	0	117.6
208	T	32.6	Very low	30.5	Very low	127 Å²	127	137.3 Å²	137.3	78%	0.779	78%	0.783	S	S	*	*				-167.2	117.8	116.7	-58.5	0	0	0	0	108.3	I210	T208-I210 HydrophobicContact CG2-CG1 4.28Å; T208-I210 PolarHBondContact O-N 3.48Å
209	E	28	Very low	30.5	Very low	194 Å²	194	136.4 Å²	136.4	91%	0.907	79%	0.785	S	S	*	*			trans	-59.1	121.1	166.9	-64.4	178.9	149.6	0	0	110
210	I	36	Very low	30.8	Very low	158 Å²	158	135.3 Å²	135.3	81%	0.81	79%	0.793	S	S	*	*			trans	-135.8	114.2	157.4	-54.9	176.3	0	0	0	107.7	T208	T208-I210 HydrophobicContact CG2-CG1 4.28Å; T208-I210 PolarHBondContact O-N 3.48Å
211	D	27.9	Very low	31.2	Very low	144 Å²	144	133.9 Å²	133.9	77%	0.77	80%	0.795	S	S	*	*			trans	-62.5	137.1	174.5	-122.1	-33.3	0	0	0	112.3
212	C	30.4	Very low	31.5	Very low	108 Å²	108	133.7 Å²	133.7	73%	0.73	80%	0.798	S	S	*	*			trans	28.4	142.6	141.4	-65.7	0	0	0	0	120.8
213	P	30.3	Very low	32	Very low	120 Å²	120	133.5 Å²	133.5	78%	0.779	80%	0.797	S	S	*	*				-144.6	161.4	62.1	35.4	-14.6	0	0	0	118.2
214	S	30.5	Very low	32.6	Very low	114 Å²	114	134.2 Å²	134.2	80%	0.797	80%	0.801	S	S	*	*			trans	-82.7	129.4	174	-168.8	0	0	0	0	110.5
215	E	34.6	Very low	33	Very low	183 Å²	183	131.7 Å²	131.7	86%	0.855	80%	0.796	S	S	*	*			trans	-134.7	123.5	163.1	-51.2	-110.6	120.3	0	0	108.4
216	D	30.7	Very low	33.8	Very low	150 Å²	150	131.6 Å²	131.6	80%	0.802	79%	0.793	S	S	*	*			trans	-70.9	139.3	-173.2	-152.2	-10.9	0	0	0	111.9
217	S	37.7	Very low	34.2	Very low	119 Å²	119	131.1 Å²	131.1	83%	0.832	79%	0.791	S	S	*	*			trans	-163	82.2	162.5	-79.4	0	0	0	0	109.7	T219	S217-T219 PolarHBondContact O-N 2.91Å
218	G	31.1	Very low	35	Very low	69 Å²	69	132.6 Å²	132.6	71%	0.711	80%	0.799	S	S	*	*			trans	-58.3	130.7	166.9	0	0	0	0	0	112
219	T	36	Very low	35	Very low	140 Å²	140	136.1 Å²	136.1	86%	0.859	80%	0.8	S	S	*	*			trans	-125.5	122.5	154.4	41.7	0	0	0	0	108.7	S217	S217-T219 PolarHBondContact O-N 2.91Å
220	S	38.1	Very low	35.3	Very low	122 Å²	122	134.3 Å²	134.3	85%	0.853	80%	0.795	S	S	*	*			trans	-68.2	139.4	-165.7	-51.4	0	0	0	0	113.5	S222	S220-S222 PolarHBondContact O-N 3.29Å
221	L	35.2	Very low	35.1	Very low	177 Å²	177	132.2 Å²	132.2	93%	0.927	79%	0.79	S	S	*	*			trans	-65.2	112.7	169.5	-66.1	160.2	0	0	0	109.8	S223	L221-S223 PolarHBondContact O-N 3Å
222	S	38.9	Very low	35.5	Very low	110 Å²	110	132.8 Å²	132.8	77%	0.769	79%	0.793	S	S	*	*			trans	-81.2	103.8	165.7	66.2	0	0	0	0	109.1	S220 C224	S220-S222 PolarHBondContact O-N 3.29Å; S222-C224 PolarHBondContact O-N 3.21Å
223	S	39.9	Very low	35.8	Very low	104 Å²	104	133.6 Å²	133.6	73%	0.727	80%	0.795	S	S	*	*			trans	-73.9	110.4	168.4	60.7	0	0	0	0	109.6	L221 T225	L221-S223 PolarHBondContact O-N 3Å; S223-T225 PolarHBondContact O-N 3.13Å
224	C	39.4	Very low	36.4	Very low	118 Å²	118	132.7 Å²	132.7	80%	0.797	79%	0.792	S	S	*	*			trans	-88.4	94.4	165	16.5	0	0	0	0	108.5	S222	S222-C224 PolarHBondContact O-N 3.21Å
225	T	35.3	Very low	36.8	Very low	109 Å²	109	134.5 Å²	134.5	67%	0.669	79%	0.792	S	S	*	*			trans	-80.1	111.8	164.6	48	0	0	0	0	108.1	S223 D227	S223-T225 PolarHBondContact O-N 3.13Å; T225-D227 PolarHBondContact O-N 3.49Å
226	C	46.9	Very low	37.2	Very low	124 Å²	124	130.3 Å²	130.3	84%	0.838	78%	0.784	S	S	*	*			trans	-94.7	80.9	167.2	-58	0	0	0	0	107.6
227	D	34.3	Very low	37.8	Very low	127 Å²	127	129 Å²	129	68%	0.679	78%	0.781	S	S	*	*			trans	-71.1	117.5	158.9	-77.9	-50.2	0	0	0	107.7	T225	T225-D227 PolarHBondContact O-N 3.49Å
228	D	40.2	Very low	37.9	Very low	167 Å²	167	129.9 Å²	129.9	89%	0.893	78%	0.776	S	S	*	*			trans	-145.9	94.6	157.5	-101	-25.6	0	0	0	107.9
229	Y	32.7	Very low	38.7	Very low	201 Å²	201	135.7 Å²	135.7	79%	0.788	79%	0.785	S	S	*	*			trans	-62.1	165.2	160	-90.1	-102.4	0	0	0	110.8
230	L	35.2	Very low	38.9	Very low	156 Å²	156	137.4 Å²	137.4	82%	0.817	78%	0.783	S	S	*	*			trans	95.4	127	164.4	-51.3	167.9	0	0	0	114.4
231	T	32.6	Very low	39.6	Very low	115 Å²	115	139.7 Å²	139.7	71%	0.706	79%	0.786	S	S	*	*			cis	-162.8	134.1	6.9	-8	0	0	0	0	107.2	T233	T231-T233 PolarHBondContact O-N 2.86Å
232	D	35.6	Very low	39.9	Very low	156 Å²	156	142.7 Å²	142.7	83%	0.834	80%	0.803	S	S	*	*			trans	-65.5	113.5	161	-89.4	-39.7	0	0	0	109
233	T	36.3	Very low	40	Very low	125 Å²	125	144.3 Å²	144.3	77%	0.767	80%	0.804	S	S	*	*			trans	-102.4	90	157.1	46.4	0	0	0	0	108.2	T231 N235	T231-T233 PolarHBondContact O-N 2.86Å; T233-N235 PolarHBondContact O-N 3.49Å
234	S	43.3	Very low	40	Very low	101 Å²	101	146.4 Å²	146.4	71%	0.706	81%	0.808	S	S	*	*			trans	-64.8	106.4	162.2	-42	0	0	0	0	108.5	S236	S234-S236 PolarHBondContact O-N 2.79Å
235	N	39.3	Very low	40	Very low	151 Å²	151	148 Å²	148	81%	0.807	81%	0.809	S	S	*	*			trans	-78.6	93.7	161.2	-90.4	17.6	0	0	0	107.9	T233	T233-N235 PolarHBondContact O-N 3.49Å
236	S	41.9	Very low	40.3	Very low	96 Å²	96	150.3 Å²	150.3	67%	0.671	82%	0.817	S	S	*	*			trans	-86.6	104.1	157.1	171.1	0	0	0	0	106.8	S234	S234-S236 PolarHBondContact O-N 2.79Å
237	T	44.4	Very low	39.9	Very low	121 Å²	121	151.9 Å²	151.9	74%	0.742	82%	0.816	S	S	*	*			trans	-93	96.6	163.8	38.3	0	0	0	0	107.3
238	N	39	Very low	40.3	Very low	139 Å²	139	153.6 Å²	153.6	74%	0.743	83%	0.825	S	S	*	*			trans	-74.6	118.4	154.6	-78.4	-10.9	0	0	0	107
239	E	47.4	Very low	40.3	Very low	191 Å²	191	152.6 Å²	152.6	89%	0.893	82%	0.82	S	S	*	*			trans	-115.7	92.1	154.6	-71.3	-162.4	172.5	0	0	106.5
240	E	41.3	Very low	40.9	Very low	176 Å²	176	148.9 Å²	148.9	82%	0.822	82%	0.823	S	S	*	*			trans	-96.5	119.4	150.7	-72.2	-177.9	153.9	0	0	105.3
241	D	53.3	Low	41.3	Very low	169 Å²	169	148.3 Å²	148.3	90%	0.904	82%	0.823	S	S	*	*			trans	-150.8	123.5	150.6	-97.8	-25.4	0	0	0	107.9
242	N	41.7	Very low	42.1	Very low	240 Å²	240	151.4 Å²	151.4	100%	1.283	83%	0.834	S	S	*	*			trans	-65.1	0	169	-97.3	-29.6	0	0	0	111.3

Retrieved 242 of 242 residues in 100.3 ms (Link to these results)

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