A0A3Q0KCB2_SCHMA Loading...

Putative sj-Ts4 protein

AlphaFold DB , UniProt , Accession A0A3Q0KCB2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 279 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	31.1	Very low	39.1	Very low	160 Å²	160	104.1 Å²	104.1	79%	0.788	57%	0.566	S	S	*	*				0	-71.7	0	-76.1	-82.2	-104.1	0	0	116.9	T3 F4 A5 D62	M1-T3 PolarHBondContact O-N 3.39Å; M1-F4 PolarHBondContact O-N 3.48Å; M1-A5 VanDerWaalsContact O-CB 3.29Å; M1-A5 WeakPolarHBondContact O-CB 3.37Å; M1-A5 PolarHBondContact O-N 3.43Å; M1-D62 WeakPolarHBondContact CG-OD2 3.48Å; M1-D62 PolarHBondContact N-OD2 3.2Å
2	T	34.1	Very low	39.5	Very low	115 Å²	115	102.8 Å²	102.8	71%	0.706	57%	0.57	S	S	*	*	H	α-helix	trans	-60	-48.7	-167.1	7.4	0	0	0	0	114.1	F4 A5 T6	T2-F4 VanDerWaalsContact C-N 3.35Å; T2-F4 PolarHBondContact O-N 2.93Å; T2-A5 PolarHBondContact O-N 3.23Å; T2-T6 WeakPolarHBondContact O-CB 3.32Å; T2-T6 PolarHBondContact O-N 2.77Å; T2-T6 PolarHBondContact O-OG1 3.13Å
3	T	38.1	Very low	39.6	Very low	101 Å²	101	103.1 Å²	103.1	62%	0.62	58%	0.576	S	S	*	*	H	α-helix	trans	-66.8	-34.9	-178.1	-42.3	0	0	0	0	113.2	M1 R7	M1-T3 PolarHBondContact O-N 3.39Å; T3-R7 WeakPolarHBondContact O-CB 3.49Å; T3-R7 WeakPolarHBondContact O-CG 3.34Å; T3-R7 PolarHBondContact O-N 2.93Å
4	F	38.6	Very low	39.5	Very low	105 Å²	105	99.6 Å²	99.6	46%	0.461	56%	0.559	S	S	.	*	H	α-helix	trans	-74.5	-44.1	177.6	-179.6	-112.3	0	0	0	111.3	M1 T2 R7 L8 V69	M1-F4 PolarHBondContact O-N 3.48Å; T2-F4 VanDerWaalsContact C-N 3.35Å; T2-F4 PolarHBondContact O-N 2.93Å; F4-R7 PolarHBondContact O-N 3.29Å; F4-L8 HydrophobicContact CD1-CD1 3.57Å; F4-L8 HydrophobicContact CD2-CD1 4.27Å; F4-L8 HydrophobicContact CE1-CD1 3.13Å; F4-L8 HydrophobicContact CE1-CG 4.43Å; F4-L8 HydrophobicContact CE2-CD1 3.89Å; F4-L8 HydrophobicContact CG-CD1 4.14Å; F4-L8 HydrophobicContact CZ-CD1 3.31Å; F4-L8 HydrophobicContact CZ-CG 4.29Å; F4-L8 WeakPolarHBondContact O-CB 3.42Å; F4-L8 PolarHBondContact O-N 3.1Å; F4-V69 HydrophobicContact CZ-CG1 4.49Å
5	A	36.3	Very low	39.8	Very low	45 Å²	45	94.1 Å²	94.1	37%	0.372	53%	0.532	S	S	.	.	H	α-helix	trans	-61	-42.9	172.7	0	0	0	0	0	111.6	M1 T2 R7 L8 C9	M1-A5 VanDerWaalsContact O-CB 3.29Å; M1-A5 WeakPolarHBondContact O-CB 3.37Å; M1-A5 PolarHBondContact O-N 3.43Å; T2-A5 PolarHBondContact O-N 3.23Å; A5-R7 VanDerWaalsContact C-N 3.32Å; A5-R7 PolarHBondContact O-N 3.22Å; A5-L8 PolarHBondContact O-N 3.09Å; A5-C9 VanDerWaalsContact O-CB 3.29Å; A5-C9 WeakPolarHBondContact O-CB 3.34Å; A5-C9 PolarHBondContact O-N 3.43Å; A5-C9 PolarHBondContact O-SG 3.03Å
6	T	45.4	Very low	40.5	Very low	99 Å²	99	94.5 Å²	94.5	61%	0.607	53%	0.533	S	S	*	.	H	α-helix	trans	-63.2	-37	175	-55.2	0	0	0	0	112.1	T2 G10	T2-T6 WeakPolarHBondContact O-CB 3.32Å; T2-T6 PolarHBondContact O-N 2.77Å; T2-T6 PolarHBondContact O-OG1 3.13Å; T6-G10 PolarHBondContact O-N 3.01Å
7	R	44.9	Very low	40.9	Very low	178 Å²	178	94.2 Å²	94.2	67%	0.672	53%	0.534	S	S	*	.	H	α-helix	trans	-72	-40.7	175.2	-81.1	178.8	171	177	-2.3	112.7	T3 F4 A5 G10 Y11	T3-R7 WeakPolarHBondContact O-CB 3.49Å; T3-R7 WeakPolarHBondContact O-CG 3.34Å; T3-R7 PolarHBondContact O-N 2.93Å; F4-R7 PolarHBondContact O-N 3.29Å; A5-R7 VanDerWaalsContact C-N 3.32Å; A5-R7 PolarHBondContact O-N 3.22Å; R7-G10 PolarHBondContact O-N 2.66Å; R7-Y11 WeakPolarHBondContact O-CD2 3.48Å
8	L	38.5	Very low	41.4	Very low	59 Å²	59	96.6 Å²	96.6	31%	0.309	53%	0.534	S	S	.	.	H	α-helix	trans	-64.7	-43.9	175.5	-95.6	157.3	0	0	0	111.6	F4 A5 G10 Y11 V14	F4-L8 HydrophobicContact CD1-CD1 3.57Å; F4-L8 HydrophobicContact CD2-CD1 4.27Å; F4-L8 HydrophobicContact CE1-CD1 3.13Å; F4-L8 HydrophobicContact CE1-CG 4.43Å; F4-L8 HydrophobicContact CE2-CD1 3.89Å; F4-L8 HydrophobicContact CG-CD1 4.14Å; F4-L8 HydrophobicContact CZ-CD1 3.31Å; F4-L8 HydrophobicContact CZ-CG 4.29Å; F4-L8 WeakPolarHBondContact O-CB 3.42Å; F4-L8 PolarHBondContact O-N 3.1Å; A5-L8 PolarHBondContact O-N 3.09Å; L8-G10 PolarHBondContact O-N 2.82Å; L8-G10 VanDerWaalsContact O-N 3.17Å; L8-Y11 PolarHBondContact O-N 3.16Å; L8-Y11 VanDerWaalsContact O-N 3.12Å; L8-V14 HydrophobicContact CB-CG1 4.11Å; L8-V14 HydrophobicContact CD2-CG1 3.87Å; L8-V14 HydrophobicContact CD2-CG2 4.24Å; L8-V14 VanDerWaalsContact O-CB 3.32Å; L8-V14 WeakPolarHBondContact O-CB 3.38Å; L8-V14 WeakPolarHBondContact O-CG1 3.4Å
9	C	38.9	Very low	42.4	Very low	58 Å²	58	98.3 Å²	98.3	39%	0.392	54%	0.535	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-13.5	174.4	-68.9	0	0	0	0	113.7	A5 Y11	A5-C9 VanDerWaalsContact O-CB 3.29Å; A5-C9 WeakPolarHBondContact O-CB 3.34Å; A5-C9 PolarHBondContact O-N 3.43Å; A5-C9 PolarHBondContact O-SG 3.03Å; C9-Y11 VanDerWaalsContact C-N 3.33Å
10	G	43.8	Very low	43.2	Very low	65 Å²	65	97.7 Å²	97.7	67%	0.67	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-14.8	173	0	0	0	0	0	114.3	T6 R7 L8	T6-G10 PolarHBondContact O-N 3.01Å; R7-G10 PolarHBondContact O-N 2.66Å; L8-G10 PolarHBondContact O-N 2.82Å; L8-G10 VanDerWaalsContact O-N 3.17Å
11	Y	40.7	Very low	43.6	Very low	160 Å²	160	95.8 Å²	95.8	63%	0.627	53%	0.533	S	S	*	.	S	Bend	trans	-85.8	120.7	171	-66	-83	0	0	0	108.9	R7 L8 C9 V13 V14 G15	R7-Y11 WeakPolarHBondContact O-CD2 3.48Å; L8-Y11 PolarHBondContact O-N 3.16Å; L8-Y11 VanDerWaalsContact O-N 3.12Å; C9-Y11 VanDerWaalsContact C-N 3.33Å; Y11-V13 PolarHBondContact O-N 3.27Å; Y11-V13 VanDerWaalsContact O-N 3.13Å; Y11-V14 PolarHBondContact O-N 3.36Å; Y11-G15 PolarHBondContact O-N 3.3Å
12	S	44.2	Very low	45.2	Very low	88 Å²	88	91.3 Å²	91.3	62%	0.615	51%	0.511	S	S	*	.	H	α-helix	trans	-52.4	-42.7	-173	66.2	0	0	0	0	112.8	V14 G15 D16	S12-V14 VanDerWaalsContact C-N 3.34Å; S12-V14 PolarHBondContact O-N 3.14Å; S12-G15 PolarHBondContact O-N 3.45Å; S12-D16 VanDerWaalsContact O-CB 3.32Å; S12-D16 WeakPolarHBondContact O-CB 3.48Å; S12-D16 PolarHBondContact O-N 3.18Å
13	V	40.8	Very low	47	Very low	107 Å²	107	90 Å²	90	65%	0.648	50%	0.5	S	S	*	.	H	α-helix	trans	-62.3	-39.5	179.2	-175.7	0	0	0	0	112	Y11 T17	Y11-V13 PolarHBondContact O-N 3.27Å; Y11-V13 VanDerWaalsContact O-N 3.13Å; V13-T17 WeakPolarHBondContact O-CB 3.46Å; V13-T17 PolarHBondContact O-N 2.98Å; V13-T17 PolarHBondContact O-OG1 3.36Å
14	V	38.4	Very low	48.2	Very low	55 Å²	55	89.1 Å²	89.1	33%	0.333	49%	0.494	S	S	.	.	H	α-helix	trans	-80.7	-38.9	-178.8	178.9	0	0	0	0	110.9	L8 Y11 S12 T17 Y18	L8-V14 HydrophobicContact CB-CG1 4.11Å; L8-V14 HydrophobicContact CD2-CG1 3.87Å; L8-V14 HydrophobicContact CD2-CG2 4.24Å; L8-V14 VanDerWaalsContact O-CB 3.32Å; L8-V14 WeakPolarHBondContact O-CB 3.38Å; L8-V14 WeakPolarHBondContact O-CG1 3.4Å; Y11-V14 PolarHBondContact O-N 3.36Å; S12-V14 VanDerWaalsContact C-N 3.34Å; S12-V14 PolarHBondContact O-N 3.14Å; V14-T17 PolarHBondContact O-N 3.2Å; V14-Y18 WeakPolarHBondContact O-CB 3.41Å; V14-Y18 PolarHBondContact O-N 3.18Å
15	G	44	Very low	49.4	Very low	16 Å²	16	88.9 Å²	88.9	17%	0.165	49%	0.491	C	S	.	.	H	α-helix	trans	-60.9	-44.8	174.5	0	0	0	0	0	112.3	Y11 S12 K19	Y11-G15 PolarHBondContact O-N 3.3Å; S12-G15 PolarHBondContact O-N 3.45Å; G15-K19 WeakPolarHBondContact O-CB 3.41Å; G15-K19 PolarHBondContact O-N 3.44Å
16	D	50.2	Low	51.2	Low	101 Å²	101	89.6 Å²	89.6	54%	0.54	49%	0.489	S	S	.	.	H	α-helix	trans	-69.5	-39.8	178.9	-69.4	-23.4	0	0	0	111.7	S12 T20	S12-D16 VanDerWaalsContact O-CB 3.32Å; S12-D16 WeakPolarHBondContact O-CB 3.48Å; S12-D16 PolarHBondContact O-N 3.18Å; D16-T20 VanDerWaalsContact O-CB 3.3Å; D16-T20 WeakPolarHBondContact O-CB 3.21Å; D16-T20 PolarHBondContact O-N 3.2Å; D16-T20 PolarHBondContact O-OG1 3.26Å
17	T	48.2	Very low	52.5	Low	90 Å²	90	92.5 Å²	92.5	55%	0.552	49%	0.489	S	S	*	.	H	α-helix	trans	-69.4	-41.8	177.3	-49.1	0	0	0	0	111.5	V13 V14 T20 A21	V13-T17 WeakPolarHBondContact O-CB 3.46Å; V13-T17 PolarHBondContact O-N 2.98Å; V13-T17 PolarHBondContact O-OG1 3.36Å; V14-T17 PolarHBondContact O-N 3.2Å; T17-T20 PolarHBondContact O-N 3.46Å; T17-A21 WeakPolarHBondContact O-CB 3.42Å; T17-A21 PolarHBondContact O-N 3.04Å
18	Y	49	Very low	53.5	Low	137 Å²	137	86 Å²	86	54%	0.537	47%	0.468	S	S	.	.	H	α-helix	trans	-64.1	-44.7	175.4	178.6	-99.5	0	0	0	111.5	V14 A21 L22	V14-Y18 WeakPolarHBondContact O-CB 3.41Å; V14-Y18 PolarHBondContact O-N 3.18Å; Y18-A21 PolarHBondContact O-N 3.05Å; Y18-L22 HydrophobicContact CE1-CD2 4.16Å; Y18-L22 WeakPolarHBondContact O-CB 3.5Å; Y18-L22 PolarHBondContact O-N 2.73Å
19	K	60.7	Low	54.9	Low	128 Å²	128	86.4 Å²	86.4	56%	0.557	47%	0.468	S	S	*	.	H	α-helix	trans	-62.2	-44.3	176.1	-173.7	176.7	178.4	-178.1	0	111.4	G15 L22 D23	G15-K19 WeakPolarHBondContact O-CB 3.41Å; G15-K19 PolarHBondContact O-N 3.44Å; K19-L22 PolarHBondContact O-N 3.22Å; K19-D23 WeakPolarHBondContact O-CB 3.35Å; K19-D23 PolarHBondContact O-N 2.96Å
20	T	57.9	Low	56.6	Low	87 Å²	87	92.2 Å²	92.2	53%	0.534	49%	0.486	S	S	.	.	H	α-helix	trans	-62.4	-45.2	176.7	-56.7	0	0	0	0	111.6	D16 T17 L22 D23 V24	D16-T20 VanDerWaalsContact O-CB 3.3Å; D16-T20 WeakPolarHBondContact O-CB 3.21Å; D16-T20 PolarHBondContact O-N 3.2Å; D16-T20 PolarHBondContact O-OG1 3.26Å; T17-T20 PolarHBondContact O-N 3.46Å; T20-L22 PolarHBondContact O-N 3.47Å; T20-D23 PolarHBondContact O-N 3.44Å; T20-V24 WeakPolarHBondContact O-CB 3.3Å; T20-V24 VanDerWaalsContact O-CG2 3.27Å; T20-V24 WeakPolarHBondContact O-CG2 3.27Å; T20-V24 PolarHBondContact O-N 3.41Å
21	A	51.7	Low	58	Low	58 Å²	58	93.1 Å²	93.1	48%	0.479	47%	0.472	S	S	.	.	H	α-helix	trans	-63.9	-40.4	176.7	0	0	0	0	0	112.1	T17 Y18 V24 Y25	T17-A21 WeakPolarHBondContact O-CB 3.42Å; T17-A21 PolarHBondContact O-N 3.04Å; Y18-A21 PolarHBondContact O-N 3.05Å; A21-V24 PolarHBondContact O-N 3.41Å; A21-Y25 WeakPolarHBondContact O-CB 3.43Å; A21-Y25 PolarHBondContact O-N 3.37Å
22	L	64.8	Low	59.5	Low	65 Å²	65	94.4 Å²	94.4	34%	0.34	48%	0.484	S	S	.	.	H	α-helix	trans	-66.5	-41.3	176.8	-175.4	64.5	0	0	0	111.7	Y18 K19 T20 Y25 N26	Y18-L22 HydrophobicContact CE1-CD2 4.16Å; Y18-L22 WeakPolarHBondContact O-CB 3.5Å; Y18-L22 PolarHBondContact O-N 2.73Å; K19-L22 PolarHBondContact O-N 3.22Å; T20-L22 PolarHBondContact O-N 3.47Å; L22-Y25 PolarHBondContact O-N 2.92Å; L22-N26 VanDerWaalsContact O-CB 3.3Å; L22-N26 WeakPolarHBondContact O-CB 3.18Å; L22-N26 VanDerWaalsContact O-CG 3.23Å; L22-N26 PolarHBondContact O-N 3.44Å; L22-N26 PolarHBondContact O-ND2 3.36Å; L22-N26 VanDerWaalsContact O-ND2 3.11Å
23	D	72	Confident	60.5	Low	88 Å²	88	94.4 Å²	94.4	47%	0.471	48%	0.484	S	S	.	.	H	α-helix	trans	-65.2	-42.3	176.7	-74	-20	0	0	0	111.1	K19 T20 N26 W27	K19-D23 WeakPolarHBondContact O-CB 3.35Å; K19-D23 PolarHBondContact O-N 2.96Å; T20-D23 PolarHBondContact O-N 3.44Å; D23-N26 PolarHBondContact O-N 3.04Å; D23-W27 VanDerWaalsContact O-CB 3.26Å; D23-W27 WeakPolarHBondContact O-CB 3.28Å; D23-W27 PolarHBondContact O-N 3.28Å
24	V	63.2	Low	61	Low	82 Å²	82	91.7 Å²	91.7	50%	0.497	47%	0.467	S	S	.	.	H	α-helix	trans	-62.4	-49.5	173.6	170.8	0	0	0	0	110.7	T20 A21 N26 W27 V28	T20-V24 WeakPolarHBondContact O-CB 3.3Å; T20-V24 VanDerWaalsContact O-CG2 3.27Å; T20-V24 WeakPolarHBondContact O-CG2 3.27Å; T20-V24 PolarHBondContact O-N 3.41Å; A21-V24 PolarHBondContact O-N 3.41Å; V24-N26 PolarHBondContact O-N 3.22Å; V24-W27 WeakPolarHBondContact O-CB 3.47Å; V24-W27 PolarHBondContact O-N 2.99Å; V24-W27 VanDerWaalsContact O-N 3.14Å; V24-V28 HydrophobicContact CG1-CG2 4.33Å; V24-V28 WeakPolarHBondContact O-CG2 3.38Å; V24-V28 PolarHBondContact O-N 3.13Å
25	Y	64.9	Low	62.3	Low	100 Å²	100	89.7 Å²	89.7	39%	0.392	46%	0.457	S	S	.	.	H	α-helix	trans	-58.6	-45.8	178	168.8	-100	0	0	0	112	A21 L22 W27 V28 K29 I38 E42	A21-Y25 WeakPolarHBondContact O-CB 3.43Å; A21-Y25 PolarHBondContact O-N 3.37Å; L22-Y25 PolarHBondContact O-N 2.92Å; Y25-W27 VanDerWaalsContact C-N 3.3Å; Y25-W27 PolarHBondContact O-N 2.84Å; Y25-V28 PolarHBondContact O-N 2.9Å; Y25-K29 HydrophobicContact CE1-CD 4.36Å; Y25-K29 WeakPolarHBondContact O-CB 3.28Å; Y25-K29 PolarHBondContact O-N 3.22Å; Y25-I38 HydrophobicContact CE2-CG2 4.45Å; Y25-E42 VanDerWaalsContact OH-CD 3.3Å; Y25-E42 PolarHBondContact OH-OE1 3.09Å
26	N	72.3	Confident	63.5	Low	61 Å²	61	92.7 Å²	92.7	33%	0.326	47%	0.474	S	S	.	.	H	α-helix	trans	-63.9	-35.2	176.2	-75.8	-34.8	0	0	0	112.4	L22 D23 V24 K30	L22-N26 VanDerWaalsContact O-CB 3.3Å; L22-N26 WeakPolarHBondContact O-CB 3.18Å; L22-N26 VanDerWaalsContact O-CG 3.23Å; L22-N26 PolarHBondContact O-N 3.44Å; L22-N26 PolarHBondContact O-ND2 3.36Å; L22-N26 VanDerWaalsContact O-ND2 3.11Å; D23-N26 PolarHBondContact O-N 3.04Å; V24-N26 PolarHBondContact O-N 3.22Å; N26-K30 VanDerWaalsContact O-CG 3.27Å; N26-K30 WeakPolarHBondContact O-CG 3.48Å; N26-K30 PolarHBondContact O-N 3.03Å
27	W	74	Confident	64.3	Low	160 Å²	160	93.4 Å²	93.4	61%	0.606	48%	0.477	S	S	*	.	H	α-helix	trans	-67.1	-46.2	174.9	-179.7	87.8	0	0	0	111.9	D23 V24 Y25 K29 K30 K31	D23-W27 VanDerWaalsContact O-CB 3.26Å; D23-W27 WeakPolarHBondContact O-CB 3.28Å; D23-W27 PolarHBondContact O-N 3.28Å; V24-W27 WeakPolarHBondContact O-CB 3.47Å; V24-W27 PolarHBondContact O-N 2.99Å; V24-W27 VanDerWaalsContact O-N 3.14Å; Y25-W27 VanDerWaalsContact C-N 3.3Å; Y25-W27 PolarHBondContact O-N 2.84Å; W27-K29 VanDerWaalsContact C-N 3.33Å; W27-K29 PolarHBondContact O-N 2.95Å; W27-K30 PolarHBondContact O-N 3.09Å; W27-K31 VanDerWaalsContact CH2-CE 3.48Å; W27-K31 VanDerWaalsContact CZ2-CE 3.47Å; W27-K31 PolarHBondContact O-N 3.02Å
28	V	65.5	Low	65.1	Low	40 Å²	40	90.8 Å²	90.8	24%	0.242	46%	0.459	C	S	.	.	H	α-helix	trans	-65.2	-38.5	177.4	-173.4	0	0	0	0	110.6	V24 Y25 K30 K31 V34 I38	V24-V28 HydrophobicContact CG1-CG2 4.33Å; V24-V28 WeakPolarHBondContact O-CG2 3.38Å; V24-V28 PolarHBondContact O-N 3.13Å; Y25-V28 PolarHBondContact O-N 2.9Å; V28-K30 VanDerWaalsContact C-N 3.26Å; V28-K30 PolarHBondContact O-N 2.9Å; V28-K31 WeakPolarHBondContact O-CB 3.35Å; V28-K31 PolarHBondContact O-N 3.39Å; V28-V34 HydrophobicContact CG1-CB 4.28Å; V28-V34 HydrophobicContact CG1-CG1 3.84Å; V28-I38 HydrophobicContact CB-CD1 4.07Å; V28-I38 HydrophobicContact CG1-CD1 3.3Å
29	K	68	Low	66.1	Low	69 Å²	69	87.6 Å²	87.6	30%	0.3	45%	0.449	S	S	.	.	H	α-helix	trans	-64	-29.2	176.9	-170.4	167.2	-178	156.7	0	113.3	Y25 W27 G35 E42	Y25-K29 HydrophobicContact CE1-CD 4.36Å; Y25-K29 WeakPolarHBondContact O-CB 3.28Å; Y25-K29 PolarHBondContact O-N 3.22Å; W27-K29 VanDerWaalsContact C-N 3.33Å; W27-K29 PolarHBondContact O-N 2.95Å; K29-G35 WeakPolarHBondContact O-CA 3.45Å; K29-E42 IonicContact NZ-OE1 3.01Å; K29-E42 PolarHBondContact NZ-OE1 3.21Å; K29-E42 IonicContact NZ-OE2 2.62Å; K29-E42 PolarHBondContact NZ-OE2 3.49Å
30	K	74.8	Confident	66.5	Low	179 Å²	179	85 Å²	85	78%	0.778	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-7.4	177.2	-73.6	174.2	-178.1	-179.9	0	114.4	N26 W27 V28	N26-K30 VanDerWaalsContact O-CG 3.27Å; N26-K30 WeakPolarHBondContact O-CG 3.48Å; N26-K30 PolarHBondContact O-N 3.03Å; W27-K30 PolarHBondContact O-N 3.09Å; V28-K30 VanDerWaalsContact C-N 3.26Å; V28-K30 PolarHBondContact O-N 2.9Å
31	K	73.7	Confident	66.7	Low	84 Å²	84	83.6 Å²	83.6	37%	0.365	44%	0.441	S	S	.	.			trans	-74.4	125.7	177.1	-82.9	-89.4	-172.8	170.3	0	110.8	W27 V28 S33 V34 G35	W27-K31 VanDerWaalsContact CH2-CE 3.48Å; W27-K31 VanDerWaalsContact CZ2-CE 3.47Å; W27-K31 PolarHBondContact O-N 3.02Å; V28-K31 WeakPolarHBondContact O-CB 3.35Å; V28-K31 PolarHBondContact O-N 3.39Å; K31-S33 PolarHBondContact O-N 3.19Å; K31-S33 VanDerWaalsContact O-N 3.17Å; K31-V34 HydrophobicContact CB-CB 4.31Å; K31-V34 HydrophobicContact CB-CG2 4.36Å; K31-V34 PolarHBondContact O-N 3.13Å; K31-G35 WeakPolarHBondContact O-CA 3.36Å; K31-G35 PolarHBondContact O-N 2.69Å
32	E	70.4	Confident	67.2	Low	188 Å²	188	82.4 Å²	82.4	88%	0.879	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-31.6	179.2	-70.2	-176.5	159.9	0	0	114.1	P36	E32-P36 VanDerWaalsContact O-CD 3.31Å; E32-P36 WeakPolarHBondContact O-CD 3.47Å
33	S	65.4	Low	67.3	Low	88 Å²	88	83.4 Å²	83.4	62%	0.615	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-22.5	-178.7	53.6	0	0	0	0	114.7	K31	K31-S33 PolarHBondContact O-N 3.19Å; K31-S33 VanDerWaalsContact O-N 3.17Å
34	V	52.3	Low	66.7	Low	50 Å²	50	86 Å²	86	30%	0.303	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.4	-26.7	-171.4	-165.7	0	0	0	0	111.7	V28 K31 I37 I38	V28-V34 HydrophobicContact CG1-CB 4.28Å; V28-V34 HydrophobicContact CG1-CG1 3.84Å; K31-V34 HydrophobicContact CB-CB 4.31Å; K31-V34 HydrophobicContact CB-CG2 4.36Å; K31-V34 PolarHBondContact O-N 3.13Å; V34-I37 WeakPolarHBondContact O-CB 3.23Å; V34-I37 PolarHBondContact O-N 2.74Å; V34-I37 VanDerWaalsContact O-N 3.08Å; V34-I38 HydrophobicContact CG1-CD1 3.71Å; V34-I38 HydrophobicContact CG1-CG1 3.99Å; V34-I38 PolarHBondContact O-N 3.34Å
35	G	65.1	Low	65.9	Low	12 Å²	12	84 Å²	84	12%	0.124	43%	0.431	C	S	.	.	H	α-helix	trans	-51.7	-50.4	178.1	0	0	0	0	0	113.3	K29 K31 I37 I38 Q39	K29-G35 WeakPolarHBondContact O-CA 3.45Å; K31-G35 WeakPolarHBondContact O-CA 3.36Å; K31-G35 PolarHBondContact O-N 2.69Å; G35-I37 VanDerWaalsContact C-N 3.3Å; G35-I37 PolarHBondContact O-N 2.81Å; G35-I38 PolarHBondContact O-N 3.43Å; G35-Q39 VanDerWaalsContact O-CB 3.31Å; G35-Q39 WeakPolarHBondContact O-CB 3.16Å; G35-Q39 PolarHBondContact O-N 2.86Å
36	P	70.2	Confident	65.3	Low	80 Å²	80	83.9 Å²	83.9	52%	0.519	44%	0.436	S	S	.	.	H	α-helix	trans	-63.1	-32.5	177.8	-23.9	34.3	0	0	0	113.8	E32 T40	E32-P36 VanDerWaalsContact O-CD 3.31Å; E32-P36 WeakPolarHBondContact O-CD 3.47Å; P36-T40 WeakPolarHBondContact O-CB 3.37Å; P36-T40 PolarHBondContact O-N 3.13Å; P36-T40 PolarHBondContact O-OG1 2.72Å
37	I	67.1	Low	64.2	Low	116 Å²	116	84.5 Å²	84.5	60%	0.595	45%	0.445	S	S	*	.	H	α-helix	trans	-72.8	-45.7	178.5	-60.1	173.6	0	0	0	110	V34 G35 T40 A41	V34-I37 WeakPolarHBondContact O-CB 3.23Å; V34-I37 PolarHBondContact O-N 2.74Å; V34-I37 VanDerWaalsContact O-N 3.08Å; G35-I37 VanDerWaalsContact C-N 3.3Å; G35-I37 PolarHBondContact O-N 2.81Å; I37-T40 PolarHBondContact O-N 2.92Å; I37-A41 WeakPolarHBondContact O-CB 3.42Å; I37-A41 PolarHBondContact O-N 3.5Å
38	I	63.1	Low	63	Low	34 Å²	34	81.5 Å²	81.5	17%	0.174	44%	0.444	C	S	.	.	H	α-helix	trans	-62.7	-44.2	175.4	-73.3	174.3	0	0	0	110.3	Y25 V28 V34 G35 T40 A41 E42	Y25-I38 HydrophobicContact CE2-CG2 4.45Å; V28-I38 HydrophobicContact CB-CD1 4.07Å; V28-I38 HydrophobicContact CG1-CD1 3.3Å; V34-I38 HydrophobicContact CG1-CD1 3.71Å; V34-I38 HydrophobicContact CG1-CG1 3.99Å; V34-I38 PolarHBondContact O-N 3.34Å; G35-I38 PolarHBondContact O-N 3.43Å; I38-T40 VanDerWaalsContact C-N 3.35Å; I38-T40 PolarHBondContact O-N 3.11Å; I38-A41 CarbonylContact O-C 3.59Å; I38-A41 PolarHBondContact O-N 3.26Å; I38-E42 HydrophobicContact CG2-CG 4.29Å; I38-E42 VanDerWaalsContact CG2-OE1 3.25Å; I38-E42 WeakPolarHBondContact CG2-OE1 3.29Å; I38-E42 WeakPolarHBondContact O-CB 3.39Å; I38-E42 VanDerWaalsContact O-CG 3.3Å; I38-E42 WeakPolarHBondContact O-CG 3.45Å; I38-E42 PolarHBondContact O-N 3.01Å
39	Q	70.9	Confident	61.7	Low	71 Å²	71	83.8 Å²	83.8	33%	0.332	45%	0.454	S	S	.	.	H	α-helix	trans	-62.3	-42.6	176.9	-166.6	60.7	50.5	0	0	111.3	G35 A41 E42 D43	G35-Q39 VanDerWaalsContact O-CB 3.31Å; G35-Q39 WeakPolarHBondContact O-CB 3.16Å; G35-Q39 PolarHBondContact O-N 2.86Å; Q39-A41 VanDerWaalsContact C-N 3.33Å; Q39-A41 PolarHBondContact O-N 3.47Å; Q39-E42 WeakPolarHBondContact O-CB 3.5Å; Q39-E42 PolarHBondContact O-N 3.06Å; Q39-E42 PolarHBondContact OE1-OE2 2.94Å; Q39-D43 PolarHBondContact NE2-OD1 2.91Å; Q39-D43 WeakPolarHBondContact O-CB 3.48Å; Q39-D43 PolarHBondContact O-N 3.4Å
40	T	69.7	Low	60.7	Low	72 Å²	72	85.8 Å²	85.8	44%	0.442	46%	0.463	S	S	.	.	H	α-helix	trans	-63.9	-38.4	175.2	-58	0	0	0	0	112.1	P36 I37 I38 K44	P36-T40 WeakPolarHBondContact O-CB 3.37Å; P36-T40 PolarHBondContact O-N 3.13Å; P36-T40 PolarHBondContact O-OG1 2.72Å; I37-T40 PolarHBondContact O-N 2.92Å; I38-T40 VanDerWaalsContact C-N 3.35Å; I38-T40 PolarHBondContact O-N 3.11Å; T40-K44 HydrophobicContact CG2-CD 4.48Å; T40-K44 WeakPolarHBondContact O-CB 3.26Å; T40-K44 WeakPolarHBondContact O-CG 3.3Å; T40-K44 PolarHBondContact O-N 2.99Å
41	A	61.6	Low	59.4	Low	58 Å²	58	80.9 Å²	80.9	48%	0.479	45%	0.449	S	S	.	.	H	α-helix	trans	-68.5	-39.4	175.7	0	0	0	0	0	111.6	I37 I38 Q39 A45	I37-A41 WeakPolarHBondContact O-CB 3.42Å; I37-A41 PolarHBondContact O-N 3.5Å; I38-A41 CarbonylContact O-C 3.59Å; I38-A41 PolarHBondContact O-N 3.26Å; Q39-A41 VanDerWaalsContact C-N 3.33Å; Q39-A41 PolarHBondContact O-N 3.47Å; A41-A45 WeakPolarHBondContact O-CB 3.2Å; A41-A45 PolarHBondContact O-N 2.88Å
42	E	61.5	Low	57.7	Low	33 Å²	33	80.8 Å²	80.8	15%	0.154	45%	0.452	C	S	.	.	H	α-helix	trans	-63	-47.9	172.6	-76.2	173.8	-163.3	0	0	111.1	Y25 K29 I38 Q39 K44 A45 I46	Y25-E42 VanDerWaalsContact OH-CD 3.3Å; Y25-E42 PolarHBondContact OH-OE1 3.09Å; K29-E42 IonicContact NZ-OE1 3.01Å; K29-E42 PolarHBondContact NZ-OE1 3.21Å; K29-E42 IonicContact NZ-OE2 2.62Å; K29-E42 PolarHBondContact NZ-OE2 3.49Å; I38-E42 HydrophobicContact CG2-CG 4.29Å; I38-E42 VanDerWaalsContact CG2-OE1 3.25Å; I38-E42 WeakPolarHBondContact CG2-OE1 3.29Å; I38-E42 WeakPolarHBondContact O-CB 3.39Å; I38-E42 VanDerWaalsContact O-CG 3.3Å; I38-E42 WeakPolarHBondContact O-CG 3.45Å; I38-E42 PolarHBondContact O-N 3.01Å; Q39-E42 WeakPolarHBondContact O-CB 3.5Å; Q39-E42 PolarHBondContact O-N 3.06Å; Q39-E42 PolarHBondContact OE1-OE2 2.94Å; E42-K44 VanDerWaalsContact C-N 3.29Å; E42-K44 PolarHBondContact O-N 2.9Å; E42-A45 CarbonylContact O-C 3.59Å; E42-A45 PolarHBondContact O-N 3.47Å; E42-A45 VanDerWaalsContact O-N 3.16Å; E42-I46 VanDerWaalsContact O-CB 3.29Å; E42-I46 WeakPolarHBondContact O-CB 3.35Å; E42-I46 WeakPolarHBondContact O-CD1 3.46Å; E42-I46 WeakPolarHBondContact O-CG1 3.46Å; E42-I46 PolarHBondContact O-N 3.06Å
43	D	67	Low	56.5	Low	86 Å²	86	75.7 Å²	75.7	46%	0.46	43%	0.433	S	S	.	.	H	α-helix	trans	-62.9	-38.3	-179.6	-65.1	-17.8	0	0	0	111	Q39 S47	Q39-D43 PolarHBondContact NE2-OD1 2.91Å; Q39-D43 WeakPolarHBondContact O-CB 3.48Å; Q39-D43 PolarHBondContact O-N 3.4Å; D43-S47 PolarHBondContact O-N 3.38Å
44	K	59.3	Low	56	Low	143 Å²	143	77.9 Å²	77.9	62%	0.622	43%	0.434	S	S	*	.	H	α-helix	trans	-71	-39.3	172.9	-76.6	-178.8	178.8	-178.6	0	113	T40 E42 I46 S47 V48	T40-K44 HydrophobicContact CG2-CD 4.48Å; T40-K44 WeakPolarHBondContact O-CB 3.26Å; T40-K44 WeakPolarHBondContact O-CG 3.3Å; T40-K44 PolarHBondContact O-N 2.99Å; E42-K44 VanDerWaalsContact C-N 3.29Å; E42-K44 PolarHBondContact O-N 2.9Å; K44-I46 VanDerWaalsContact C-N 3.35Å; K44-S47 PolarHBondContact O-N 2.75Å; K44-S47 PolarHBondContact O-OG 3.36Å; K44-V48 VanDerWaalsContact O-CG2 3.32Å; K44-V48 WeakPolarHBondContact O-CG2 3.48Å; K44-V48 PolarHBondContact O-N 3.45Å
45	A	48.1	Very low	55.8	Low	41 Å²	41	78.3 Å²	78.3	34%	0.339	44%	0.439	S	S	.	.	H	α-helix	trans	-65.3	-42.7	175.1	0	0	0	0	0	110.2	A41 E42 S47 V48 I49	A41-A45 WeakPolarHBondContact O-CB 3.2Å; A41-A45 PolarHBondContact O-N 2.88Å; E42-A45 CarbonylContact O-C 3.59Å; E42-A45 PolarHBondContact O-N 3.47Å; E42-A45 VanDerWaalsContact O-N 3.16Å; A45-S47 PolarHBondContact O-N 2.85Å; A45-V48 PolarHBondContact O-N 3.22Å; A45-I49 HydrophobicContact CB-CD1 4.13Å; A45-I49 WeakPolarHBondContact O-CB 3.37Å; A45-I49 WeakPolarHBondContact O-CD1 3.25Å; A45-I49 WeakPolarHBondContact O-CG1 3.46Å; A45-I49 PolarHBondContact O-N 3.28Å
46	I	50.8	Low	54.8	Low	97 Å²	97	79.2 Å²	79.2	50%	0.497	45%	0.448	S	S	.	.	H	α-helix	trans	-60.8	-43.5	175.2	-70.5	164	0	0	0	110.1	E42 K44 V48 I49 K50	E42-I46 VanDerWaalsContact O-CB 3.29Å; E42-I46 WeakPolarHBondContact O-CB 3.35Å; E42-I46 WeakPolarHBondContact O-CD1 3.46Å; E42-I46 WeakPolarHBondContact O-CG1 3.46Å; E42-I46 PolarHBondContact O-N 3.06Å; K44-I46 VanDerWaalsContact C-N 3.35Å; I46-V48 VanDerWaalsContact C-N 3.29Å; I46-V48 PolarHBondContact O-N 3.35Å; I46-I49 PolarHBondContact O-N 3.37Å; I46-K50 WeakPolarHBondContact O-CA 3.33Å; I46-K50 WeakPolarHBondContact O-CB 3.47Å; I46-K50 PolarHBondContact O-N 3.09Å
47	S	49.9	Very low	53.5	Low	74 Å²	74	79.7 Å²	79.7	52%	0.517	45%	0.445	S	S	.	.	H	α-helix	trans	-66.1	-30.1	179.3	73.8	0	0	0	0	113.7	D43 K44 A45 P51	D43-S47 PolarHBondContact O-N 3.38Å; K44-S47 PolarHBondContact O-N 2.75Å; K44-S47 PolarHBondContact O-OG 3.36Å; A45-S47 PolarHBondContact O-N 2.85Å; S47-P51 VanDerWaalsContact O-CD 3.27Å; S47-P51 WeakPolarHBondContact O-CD 3.47Å
48	V	47.8	Very low	52	Low	97 Å²	97	76.6 Å²	76.6	59%	0.588	43%	0.431	S	S	*	.	H	α-helix	trans	-80.1	-37.6	175.4	174.5	0	0	0	0	112	K44 A45 I46 I52	K44-V48 VanDerWaalsContact O-CG2 3.32Å; K44-V48 WeakPolarHBondContact O-CG2 3.48Å; K44-V48 PolarHBondContact O-N 3.45Å; A45-V48 PolarHBondContact O-N 3.22Å; I46-V48 VanDerWaalsContact C-N 3.29Å; I46-V48 PolarHBondContact O-N 3.35Å; V48-I52 WeakPolarHBondContact O-CD1 3.08Å
49	I	39.2	Very low	51.1	Low	87 Å²	87	81.1 Å²	81.1	45%	0.446	45%	0.452	S	S	.	.	H	α-helix	trans	-86.4	-28.7	-174.1	-65.8	165.8	0	0	0	111.4	A45 I46 I52 V53	A45-I49 HydrophobicContact CB-CD1 4.13Å; A45-I49 WeakPolarHBondContact O-CB 3.37Å; A45-I49 WeakPolarHBondContact O-CD1 3.25Å; A45-I49 WeakPolarHBondContact O-CG1 3.46Å; A45-I49 PolarHBondContact O-N 3.28Å; I46-I49 PolarHBondContact O-N 3.37Å; I49-I52 CarbonylContact O-C 3.54Å; I49-I52 WeakPolarHBondContact O-CA 3.06Å; I49-I52 WeakPolarHBondContact O-CB 3.42Å; I49-I52 PolarHBondContact O-N 3Å; I49-V53 HydrophobicContact CG2-CG2 3.51Å; I49-V53 WeakPolarHBondContact O-CG2 3.42Å; I49-V53 PolarHBondContact O-N 2.6Å
50	K	47.3	Very low	50.1	Low	112 Å²	112	85 Å²	85	49%	0.487	47%	0.468	S	S	.	.	H	α-helix	trans	-56.3	-46.4	-178.1	179.7	175.8	-177	-179.3	0	113.5	I46 I52 V53 E54	I46-K50 WeakPolarHBondContact O-CA 3.33Å; I46-K50 WeakPolarHBondContact O-CB 3.47Å; I46-K50 PolarHBondContact O-N 3.09Å; K50-I52 PolarHBondContact O-N 3.39Å; K50-V53 PolarHBondContact O-N 2.85Å; K50-E54 WeakPolarHBondContact CE-OE1 3.25Å; K50-E54 HydrophobicContact CG-CG 4.26Å; K50-E54 WeakPolarHBondContact CG-OE1 3.42Å; K50-E54 VanDerWaalsContact O-CB 3.3Å; K50-E54 WeakPolarHBondContact O-CB 3.41Å; K50-E54 VanDerWaalsContact O-CG 3.29Å; K50-E54 WeakPolarHBondContact O-CG 3.23Å; K50-E54 PolarHBondContact O-N 3.45Å
51	P	46.4	Very low	49	Very low	76 Å²	76	86.5 Å²	86.5	49%	0.494	47%	0.472	S	S	.	.	H	α-helix	trans	-61.2	-33.3	174	-20.3	31.5	0	0	0	112.8	S47 S55	S47-P51 VanDerWaalsContact O-CD 3.27Å; S47-P51 WeakPolarHBondContact O-CD 3.47Å; P51-S55 WeakPolarHBondContact O-CB 3.47Å; P51-S55 PolarHBondContact O-N 3.19Å; P51-S55 PolarHBondContact O-OG 3.14Å
52	I	39.1	Very low	48	Very low	82 Å²	82	86 Å²	86	42%	0.421	46%	0.461	S	S	.	.	H	α-helix	trans	-74.5	-42.6	-178.9	-60.2	168.8	0	0	0	109.9	V48 I49 K50 S55 V58	V48-I52 WeakPolarHBondContact O-CD1 3.08Å; I49-I52 CarbonylContact O-C 3.54Å; I49-I52 WeakPolarHBondContact O-CA 3.06Å; I49-I52 WeakPolarHBondContact O-CB 3.42Å; I49-I52 PolarHBondContact O-N 3Å; K50-I52 PolarHBondContact O-N 3.39Å; I52-S55 PolarHBondContact O-N 3.38Å; I52-S55 PolarHBondContact O-OG 3.41Å; I52-V58 HydrophobicContact CB-CG2 4.37Å; I52-V58 HydrophobicContact CG2-CG2 3.41Å; I52-V58 VanDerWaalsContact CG2-CG2 3.41Å; I52-V58 VanDerWaalsContact O-CG2 3.29Å; I52-V58 WeakPolarHBondContact O-CG2 3.27Å
53	V	45.5	Very low	47.3	Very low	80 Å²	80	89 Å²	89	49%	0.485	48%	0.479	S	S	.	.	H	α-helix	trans	-66.6	-43	174.8	172.3	0	0	0	0	111.8	I49 K50 S55 V58	I49-V53 HydrophobicContact CG2-CG2 3.51Å; I49-V53 WeakPolarHBondContact O-CG2 3.42Å; I49-V53 PolarHBondContact O-N 2.6Å; K50-V53 PolarHBondContact O-N 2.85Å; V53-S55 VanDerWaalsContact C-N 3.33Å; V53-S55 PolarHBondContact O-N 3.16Å; V53-V58 HydrophobicContact CG2-CG2 4.17Å
54	E	53.4	Low	46.6	Very low	135 Å²	135	90 Å²	90	63%	0.631	48%	0.483	S	S	*	.	H	α-helix	trans	-72.4	-23.8	179.2	-71.5	174.6	170.1	0	0	113	K50 G56	K50-E54 WeakPolarHBondContact CE-OE1 3.25Å; K50-E54 HydrophobicContact CG-CG 4.26Å; K50-E54 WeakPolarHBondContact CG-OE1 3.42Å; K50-E54 VanDerWaalsContact O-CB 3.3Å; K50-E54 WeakPolarHBondContact O-CB 3.41Å; K50-E54 VanDerWaalsContact O-CG 3.29Å; K50-E54 WeakPolarHBondContact O-CG 3.23Å; K50-E54 PolarHBondContact O-N 3.45Å; E54-G56 PolarHBondContact O-N 3.43Å
55	S	48.9	Very low	45.8	Very low	59 Å²	59	85.2 Å²	85.2	41%	0.413	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-6.1	179.9	69.8	0	0	0	0	114.8	P51 I52 V53 I57	P51-S55 WeakPolarHBondContact O-CB 3.47Å; P51-S55 PolarHBondContact O-N 3.19Å; P51-S55 PolarHBondContact O-OG 3.14Å; I52-S55 PolarHBondContact O-N 3.38Å; I52-S55 PolarHBondContact O-OG 3.41Å; V53-S55 VanDerWaalsContact C-N 3.33Å; V53-S55 PolarHBondContact O-N 3.16Å; S55-I57 PolarHBondContact O-N 3.42Å; S55-I57 WeakPolarHBondContact OG-CB 3.21Å; S55-I57 WeakPolarHBondContact OG-CD1 3.39Å; S55-I57 VanDerWaalsContact OG-CG1 3.24Å; S55-I57 WeakPolarHBondContact OG-CG1 3.42Å; S55-I57 PolarHBondContact OG-N 3.4Å
56	G	43.1	Very low	45.5	Very low	30 Å²	30	84.7 Å²	84.7	31%	0.309	46%	0.463	S	S	.	.	S	Bend	trans	64.2	-2.3	-171.9	0	0	0	0	0	114	E54 V58 Q59 K60	E54-G56 PolarHBondContact O-N 3.43Å; G56-V58 VanDerWaalsContact C-N 3.28Å; G56-Q59 WeakPolarHBondContact O-CB 3.2Å; G56-Q59 PolarHBondContact O-N 2.83Å; G56-Q59 VanDerWaalsContact O-N 3.17Å; G56-K60 PolarHBondContact O-N 3Å
57	I	43.8	Very low	45.5	Very low	90 Å²	90	85.2 Å²	85.2	46%	0.462	46%	0.464	S	S	.	.	H	α-helix	trans	-64.5	-37.9	173.5	-64.3	171.9	0	0	0	109.3	S55 Q59 K60 I61	S55-I57 PolarHBondContact O-N 3.42Å; S55-I57 WeakPolarHBondContact OG-CB 3.21Å; S55-I57 WeakPolarHBondContact OG-CD1 3.39Å; S55-I57 VanDerWaalsContact OG-CG1 3.24Å; S55-I57 WeakPolarHBondContact OG-CG1 3.42Å; S55-I57 PolarHBondContact OG-N 3.4Å; I57-Q59 VanDerWaalsContact C-N 3.33Å; I57-Q59 PolarHBondContact O-N 3.46Å; I57-K60 PolarHBondContact O-N 2.88Å; I57-I61 HydrophobicContact CG2-CD1 3.52Å; I57-I61 HydrophobicContact CG2-CG1 4.05Å; I57-I61 VanDerWaalsContact O-CB 3.3Å; I57-I61 WeakPolarHBondContact O-CB 3.35Å; I57-I61 VanDerWaalsContact O-CG1 3.23Å; I57-I61 WeakPolarHBondContact O-CG1 3.38Å; I57-I61 PolarHBondContact O-N 3.21Å
58	V	36.3	Very low	45.5	Very low	51 Å²	51	86.7 Å²	86.7	31%	0.309	46%	0.462	S	S	.	.	H	α-helix	trans	-59.7	-45.4	171.9	174.4	0	0	0	0	110.4	I52 V53 G56 K60 I61 D62	I52-V58 HydrophobicContact CB-CG2 4.37Å; I52-V58 HydrophobicContact CG2-CG2 3.41Å; I52-V58 VanDerWaalsContact CG2-CG2 3.41Å; I52-V58 VanDerWaalsContact O-CG2 3.29Å; I52-V58 WeakPolarHBondContact O-CG2 3.27Å; V53-V58 HydrophobicContact CG2-CG2 4.17Å; G56-V58 VanDerWaalsContact C-N 3.28Å; V58-K60 PolarHBondContact O-N 3.09Å; V58-I61 PolarHBondContact O-N 3.4Å; V58-D62 WeakPolarHBondContact O-CB 3.27Å; V58-D62 PolarHBondContact O-N 3.41Å
59	Q	43.8	Very low	45.3	Very low	129 Å²	129	85.8 Å²	85.8	60%	0.603	46%	0.456	S	S	*	.	H	α-helix	trans	-61.2	-43.9	177.7	-145.5	89.9	13.3	0	0	112	G56 I57 D62 D63	G56-Q59 WeakPolarHBondContact O-CB 3.2Å; G56-Q59 PolarHBondContact O-N 2.83Å; G56-Q59 VanDerWaalsContact O-N 3.17Å; I57-Q59 VanDerWaalsContact C-N 3.33Å; I57-Q59 PolarHBondContact O-N 3.46Å; Q59-D62 PolarHBondContact O-N 2.98Å; Q59-D63 WeakPolarHBondContact O-CB 3.48Å; Q59-D63 VanDerWaalsContact O-CG 3.27Å; Q59-D63 PolarHBondContact O-N 2.73Å
60	K	50.7	Low	45.5	Very low	153 Å²	153	85.6 Å²	85.6	67%	0.665	46%	0.456	S	S	*	.	H	α-helix	trans	-68.8	-39.2	177.7	-76.4	-176.3	176.7	-179.7	0	113.1	G56 I57 V58 D62 I64	G56-K60 PolarHBondContact O-N 3Å; I57-K60 PolarHBondContact O-N 2.88Å; V58-K60 PolarHBondContact O-N 3.09Å; K60-D62 VanDerWaalsContact C-N 3.34Å; K60-I64 WeakPolarHBondContact O-CB 3.47Å; K60-I64 WeakPolarHBondContact O-CD1 3.44Å; K60-I64 WeakPolarHBondContact O-CG1 3.4Å; K60-I64 PolarHBondContact O-N 2.84Å
61	I	45.4	Very low	45.7	Very low	103 Å²	103	84.9 Å²	84.9	53%	0.528	46%	0.457	S	S	.	.	H	α-helix	trans	-68.4	-38.4	174.5	-69.7	175.1	0	0	0	109.7	I57 V58 I64 A65	I57-I61 HydrophobicContact CG2-CD1 3.52Å; I57-I61 HydrophobicContact CG2-CG1 4.05Å; I57-I61 VanDerWaalsContact O-CB 3.3Å; I57-I61 WeakPolarHBondContact O-CB 3.35Å; I57-I61 VanDerWaalsContact O-CG1 3.23Å; I57-I61 WeakPolarHBondContact O-CG1 3.38Å; I57-I61 PolarHBondContact O-N 3.21Å; V58-I61 PolarHBondContact O-N 3.4Å; I61-I64 PolarHBondContact O-N 3.14Å; I61-A65 WeakPolarHBondContact O-CA 3.39Å; I61-A65 WeakPolarHBondContact O-CB 3.3Å; I61-A65 PolarHBondContact O-N 3.16Å
62	D	40.1	Very low	45.8	Very low	48 Å²	48	90 Å²	90	26%	0.257	47%	0.467	S	S	.	.	H	α-helix	trans	-68.6	-38.9	177.5	-150.5	42.7	0	0	0	110.5	M1 V58 Q59 K60 C66	M1-D62 WeakPolarHBondContact CG-OD2 3.48Å; M1-D62 PolarHBondContact N-OD2 3.2Å; V58-D62 WeakPolarHBondContact O-CB 3.27Å; V58-D62 PolarHBondContact O-N 3.41Å; Q59-D62 PolarHBondContact O-N 2.98Å; K60-D62 VanDerWaalsContact C-N 3.34Å; D62-C66 WeakPolarHBondContact O-CA 3.46Å; D62-C66 WeakPolarHBondContact O-CB 3.2Å; D62-C66 PolarHBondContact O-N 2.83Å; D62-C66 PolarHBondContact O-SG 2.96Å
63	D	47.6	Very low	45.8	Very low	97 Å²	97	88.1 Å²	88.1	52%	0.519	46%	0.464	S	S	.	.	H	α-helix	trans	-66.5	-46.7	173.2	-75.2	-20.2	0	0	0	111.3	Q59 C66 Q67	Q59-D63 WeakPolarHBondContact O-CB 3.48Å; Q59-D63 VanDerWaalsContact O-CG 3.27Å; Q59-D63 PolarHBondContact O-N 2.73Å; D63-C66 PolarHBondContact O-N 3.06Å; D63-Q67 WeakPolarHBondContact O-CB 3.23Å; D63-Q67 PolarHBondContact O-N 3.44Å; D63-Q67 PolarHBondContact O-OE1 3.02Å
64	I	51.8	Low	45.8	Very low	107 Å²	107	90.6 Å²	90.6	55%	0.549	47%	0.47	S	S	.	.	H	α-helix	trans	-65	-41	177.2	-69	165.8	0	0	0	110.9	K60 I61 H68	K60-I64 WeakPolarHBondContact O-CB 3.47Å; K60-I64 WeakPolarHBondContact O-CD1 3.44Å; K60-I64 WeakPolarHBondContact O-CG1 3.4Å; K60-I64 PolarHBondContact O-N 2.84Å; I61-I64 PolarHBondContact O-N 3.14Å; I64-H68 VanDerWaalsContact O-CB 3.29Å; I64-H68 WeakPolarHBondContact O-CB 3.34Å; I64-H68 PolarHBondContact O-N 3.26Å
65	A	42.5	Very low	45.6	Very low	41 Å²	41	86.6 Å²	86.6	34%	0.339	46%	0.46	S	S	.	.	H	α-helix	trans	-72.1	-40.2	179	0	0	0	0	0	111.5	I61 H68 V69	I61-A65 WeakPolarHBondContact O-CA 3.39Å; I61-A65 WeakPolarHBondContact O-CB 3.3Å; I61-A65 PolarHBondContact O-N 3.16Å; A65-H68 PolarHBondContact O-N 3.26Å; A65-V69 VanDerWaalsContact O-CB 3.24Å; A65-V69 WeakPolarHBondContact O-CB 3.4Å; A65-V69 WeakPolarHBondContact O-CG2 3.47Å; A65-V69 PolarHBondContact O-N 2.58Å
66	C	42.8	Very low	45.2	Very low	31 Å²	31	85 Å²	85	21%	0.209	45%	0.45	C	S	.	.	H	α-helix	trans	-64.1	-42.9	173.9	-76	0	0	0	0	111	D62 D63 V69 L70	D62-C66 WeakPolarHBondContact O-CA 3.46Å; D62-C66 WeakPolarHBondContact O-CB 3.2Å; D62-C66 PolarHBondContact O-N 2.83Å; D62-C66 PolarHBondContact O-SG 2.96Å; D63-C66 PolarHBondContact O-N 3.06Å; C66-V69 PolarHBondContact O-N 2.97Å; C66-L70 WeakPolarHBondContact O-CB 3.36Å; C66-L70 VanDerWaalsContact O-CG 3.28Å; C66-L70 WeakPolarHBondContact O-CG 3.5Å; C66-L70 PolarHBondContact O-N 3.4Å
67	Q	49.5	Very low	44.8	Very low	108 Å²	108	87.3 Å²	87.3	51%	0.505	46%	0.461	S	S	.	.	H	α-helix	trans	-65.4	-43.9	174.1	-111.7	61.4	-6.2	0	0	111.1	D63 V69 L70 D71	D63-Q67 WeakPolarHBondContact O-CB 3.23Å; D63-Q67 PolarHBondContact O-N 3.44Å; D63-Q67 PolarHBondContact O-OE1 3.02Å; Q67-V69 VanDerWaalsContact C-N 3.32Å; Q67-V69 PolarHBondContact O-N 3.14Å; Q67-L70 PolarHBondContact O-N 2.93Å; Q67-D71 WeakPolarHBondContact O-CB 3.45Å; Q67-D71 PolarHBondContact O-N 3.44Å
68	H	50	Low	44.8	Very low	105 Å²	105	86.3 Å²	86.3	49%	0.486	47%	0.466	S	S	.	.	H	α-helix	trans	-63.4	-36	175.6	-106	-91.8	0	0	0	113.3	I64 A65 R72	I64-H68 VanDerWaalsContact O-CB 3.29Å; I64-H68 WeakPolarHBondContact O-CB 3.34Å; I64-H68 PolarHBondContact O-N 3.26Å; A65-H68 PolarHBondContact O-N 3.26Å; H68-R72 WeakPolarHBondContact O-CB 3.31Å; H68-R72 VanDerWaalsContact O-CG 3.28Å; H68-R72 WeakPolarHBondContact O-CG 3.49Å; H68-R72 PolarHBondContact O-N 3.42Å
69	V	43.7	Very low	44.9	Very low	77 Å²	77	89.9 Å²	89.9	47%	0.467	48%	0.48	S	S	.	.	H	α-helix	trans	-75.2	-39	177.5	169.3	0	0	0	0	110.5	F4 A65 C66 Q67 A73	F4-V69 HydrophobicContact CZ-CG1 4.49Å; A65-V69 VanDerWaalsContact O-CB 3.24Å; A65-V69 WeakPolarHBondContact O-CB 3.4Å; A65-V69 WeakPolarHBondContact O-CG2 3.47Å; A65-V69 PolarHBondContact O-N 2.58Å; C66-V69 PolarHBondContact O-N 2.97Å; Q67-V69 VanDerWaalsContact C-N 3.32Å; Q67-V69 PolarHBondContact O-N 3.14Å; V69-A73 WeakPolarHBondContact O-CB 3.35Å; V69-A73 PolarHBondContact O-N 3.47Å
70	L	44	Very low	44.6	Very low	84 Å²	84	87.8 Å²	87.8	44%	0.44	47%	0.471	S	S	.	.	H	α-helix	trans	-67.7	-45.6	173.9	-79.4	164.2	0	0	0	111.4	C66 Q67 R72 A73 E74	C66-L70 WeakPolarHBondContact O-CB 3.36Å; C66-L70 VanDerWaalsContact O-CG 3.28Å; C66-L70 WeakPolarHBondContact O-CG 3.5Å; C66-L70 PolarHBondContact O-N 3.4Å; Q67-L70 PolarHBondContact O-N 2.93Å; L70-R72 VanDerWaalsContact C-N 3.33Å; L70-R72 PolarHBondContact O-N 3.08Å; L70-A73 CarbonylContact O-C 3.52Å; L70-A73 PolarHBondContact O-N 2.99Å; L70-A73 VanDerWaalsContact O-N 3.13Å; L70-E74 WeakPolarHBondContact O-CB 3.36Å; L70-E74 WeakPolarHBondContact O-CG 3.33Å; L70-E74 PolarHBondContact O-N 3.49Å
71	D	50.8	Low	44	Very low	96 Å²	96	89.3 Å²	89.3	51%	0.513	48%	0.478	S	S	.	.	H	α-helix	trans	-62.7	-39.8	175.1	-71.9	-15.6	0	0	0	110.9	Q67 A75	Q67-D71 WeakPolarHBondContact O-CB 3.45Å; Q67-D71 PolarHBondContact O-N 3.44Å; D71-A75 WeakPolarHBondContact O-CB 3.24Å; D71-A75 PolarHBondContact O-N 2.76Å
72	R	49.7	Very low	43.8	Very low	184 Å²	184	91.1 Å²	91.1	69%	0.694	49%	0.489	S	S	*	.	H	α-helix	trans	-69.1	-36.1	172.5	-83.8	-177	161.8	135.8	-2.2	112.6	H68 L70 A76	H68-R72 WeakPolarHBondContact O-CB 3.31Å; H68-R72 VanDerWaalsContact O-CG 3.28Å; H68-R72 WeakPolarHBondContact O-CG 3.49Å; H68-R72 PolarHBondContact O-N 3.42Å; L70-R72 VanDerWaalsContact C-N 3.33Å; L70-R72 PolarHBondContact O-N 3.08Å; R72-A76 WeakPolarHBondContact O-CB 3.44Å; R72-A76 PolarHBondContact O-N 3.33Å
73	A	39.3	Very low	43.7	Very low	43 Å²	43	93.3 Å²	93.3	36%	0.355	50%	0.504	S	S	.	.	H	α-helix	trans	-72.1	-35.8	176.4	0	0	0	0	0	111.6	V69 L70 C77	V69-A73 WeakPolarHBondContact O-CB 3.35Å; V69-A73 PolarHBondContact O-N 3.47Å; L70-A73 CarbonylContact O-C 3.52Å; L70-A73 PolarHBondContact O-N 2.99Å; L70-A73 VanDerWaalsContact O-N 3.13Å; A73-C77 WeakPolarHBondContact O-CB 3.28Å; A73-C77 PolarHBondContact O-N 3.09Å; A73-C77 PolarHBondContact O-SG 3.07Å
74	E	44.9	Very low	43.5	Very low	131 Å²	131	93 Å²	93	61%	0.612	51%	0.509	S	S	*	.	H	α-helix	trans	-73.1	-41.3	174.5	-76.4	-174.6	175.3	0	0	111.3	L70 C77 A78	L70-E74 WeakPolarHBondContact O-CB 3.36Å; L70-E74 WeakPolarHBondContact O-CG 3.33Å; L70-E74 PolarHBondContact O-N 3.49Å; E74-C77 PolarHBondContact O-N 3.37Å; E74-A78 WeakPolarHBondContact O-CB 3.25Å; E74-A78 PolarHBondContact O-N 3.48Å
75	A	49.3	Very low	43.1	Very low	51 Å²	51	93.1 Å²	93.1	42%	0.421	51%	0.511	S	S	.	.	H	α-helix	trans	-63.6	-40.6	170.8	0	0	0	0	0	111.7	D71 A78 Q79	D71-A75 WeakPolarHBondContact O-CB 3.24Å; D71-A75 PolarHBondContact O-N 2.76Å; A75-A78 PolarHBondContact O-N 2.93Å; A75-Q79 WeakPolarHBondContact O-CB 3.4Å; A75-Q79 WeakPolarHBondContact O-CG 3.03Å; A75-Q79 PolarHBondContact O-N 2.94Å
76	A	39.8	Very low	43.1	Very low	26 Å²	26	98.4 Å²	98.4	22%	0.215	53%	0.529	C	S	.	.	H	α-helix	trans	-65.5	-43.8	172.5	0	0	0	0	0	111	R72 A78 Q79 I80	R72-A76 WeakPolarHBondContact O-CB 3.44Å; R72-A76 PolarHBondContact O-N 3.33Å; A76-A78 VanDerWaalsContact C-N 3.32Å; A76-A78 PolarHBondContact O-N 3.4Å; A76-Q79 CarbonylContact O-C 3.49Å; A76-Q79 PolarHBondContact O-N 2.92Å; A76-Q79 VanDerWaalsContact O-N 3.1Å; A76-I80 HydrophobicContact CB-CD1 4.33Å; A76-I80 VanDerWaalsContact O-CB 3.3Å; A76-I80 WeakPolarHBondContact O-CB 3.5Å; A76-I80 WeakPolarHBondContact O-CD1 3.35Å; A76-I80 WeakPolarHBondContact O-CG1 3.07Å; A76-I80 PolarHBondContact O-N 3.12Å
77	C	36.1	Very low	43.2	Very low	79 Å²	79	101.8 Å²	101.8	53%	0.534	55%	0.552	S	S	.	*	H	α-helix	trans	-62.5	-35.9	175.9	-80.2	0	0	0	0	112.9	A73 E74 Q79	A73-C77 WeakPolarHBondContact O-CB 3.28Å; A73-C77 PolarHBondContact O-N 3.09Å; A73-C77 PolarHBondContact O-SG 3.07Å; E74-C77 PolarHBondContact O-N 3.37Å; C77-Q79 VanDerWaalsContact C-N 3.35Å
78	A	42.2	Very low	43.2	Very low	69 Å²	69	100.2 Å²	100.2	57%	0.57	55%	0.546	S	S	*	.	H	α-helix	trans	-69.3	-32.3	173.4	0	0	0	0	0	112.3	E74 A75 A76	E74-A78 WeakPolarHBondContact O-CB 3.25Å; E74-A78 PolarHBondContact O-N 3.48Å; A75-A78 PolarHBondContact O-N 2.93Å; A76-A78 VanDerWaalsContact C-N 3.32Å; A76-A78 PolarHBondContact O-N 3.4Å
79	Q	38.7	Very low	43.5	Very low	126 Å²	126	100.5 Å²	100.5	59%	0.589	55%	0.55	S	S	*	*	H	α-helix	trans	-80.8	-30.3	173.9	-71.6	-177.1	-2.4	0	0	113.2	A75 A76 C77 K81 N82 T83	A75-Q79 WeakPolarHBondContact O-CB 3.4Å; A75-Q79 WeakPolarHBondContact O-CG 3.03Å; A75-Q79 PolarHBondContact O-N 2.94Å; A76-Q79 CarbonylContact O-C 3.49Å; A76-Q79 PolarHBondContact O-N 2.92Å; A76-Q79 VanDerWaalsContact O-N 3.1Å; C77-Q79 VanDerWaalsContact C-N 3.35Å; Q79-K81 PolarHBondContact O-N 3.37Å; Q79-N82 PolarHBondContact O-N 3.25Å; Q79-T83 PolarHBondContact O-N 2.95Å; Q79-T83 PolarHBondContact O-OG1 3.44Å
80	I	37	Very low	44.2	Very low	84 Å²	84	101.3 Å²	101.3	43%	0.431	55%	0.551	S	S	.	*	H	α-helix	trans	-63.5	-23.1	177.6	-76.7	161.3	0	0	0	111.7	A76 N82 I88	A76-I80 HydrophobicContact CB-CD1 4.33Å; A76-I80 VanDerWaalsContact O-CB 3.3Å; A76-I80 WeakPolarHBondContact O-CB 3.5Å; A76-I80 WeakPolarHBondContact O-CD1 3.35Å; A76-I80 WeakPolarHBondContact O-CG1 3.07Å; A76-I80 PolarHBondContact O-N 3.12Å; I80-N82 PolarHBondContact O-N 3.43Å; I80-I88 HydrophobicContact CD1-CD1 4.32Å; I80-I88 HydrophobicContact CG1-CD1 3.82Å
81	K	38.6	Very low	45.2	Very low	186 Å²	186	101.2 Å²	101.2	81%	0.809	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.9	-15.3	172	-112	179.7	178.6	179.2	0	113.7	Q79	Q79-K81 PolarHBondContact O-N 3.37Å
82	N	41.8	Very low	45.8	Very low	140 Å²	140	101.5 Å²	101.5	75%	0.749	56%	0.561	S	S	*	*	S	Bend	trans	-138.3	8.7	-165.9	-74.3	-26.1	0	0	0	116.2	Q79 I80	Q79-N82 PolarHBondContact O-N 3.25Å; I80-N82 PolarHBondContact O-N 3.43Å
83	T	36.9	Very low	46.2	Very low	94 Å²	94	94.7 Å²	94.7	58%	0.577	54%	0.544	S	S	*	.	S	Bend	trans	-157	140.8	-177.2	-10.7	0	0	0	0	114.3	Q79	Q79-T83 PolarHBondContact O-N 2.95Å; Q79-T83 PolarHBondContact O-OG1 3.44Å
84	S	44.8	Very low	47.5	Very low	90 Å²	90	94.1 Å²	94.1	63%	0.629	54%	0.538	S	S	*	.			trans	-58	132.1	-177.2	51.4	0	0	0	0	113.3	E86	S84-E86 PolarHBondContact O-N 3.33Å
85	N	42	Very low	48.5	Very low	111 Å²	111	91.2 Å²	91.2	59%	0.594	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-9	-170.5	-72.6	-26.7	0	0	0	118.1
86	E	43	Very low	49	Very low	152 Å²	152	91.5 Å²	91.5	71%	0.71	53%	0.533	S	S	*	.	H	α-helix	trans	-69.6	-36.8	-177.8	-74.5	-177.8	150.8	0	0	113.5	S84 I88 I89 L90	S84-E86 PolarHBondContact O-N 3.33Å; E86-I88 VanDerWaalsContact C-N 3.26Å; E86-I88 PolarHBondContact O-N 3.22Å; E86-I89 PolarHBondContact O-N 3.07Å; E86-L90 WeakPolarHBondContact O-CB 3.47Å; E86-L90 PolarHBondContact O-N 3.34Å; E86-L90 VanDerWaalsContact O-N 3.08Å
87	C	45.6	Very low	50.2	Low	101 Å²	101	91.3 Å²	91.3	68%	0.682	53%	0.528	S	S	*	.	H	α-helix	trans	-65.3	-25.4	-175.6	-87.6	0	0	0	0	114.2	P91	C87-P91 VanDerWaalsContact O-CD 3.31Å; C87-P91 WeakPolarHBondContact O-CD 3.23Å
88	I	49.7	Very low	51.8	Low	76 Å²	76	91.7 Å²	91.7	39%	0.39	53%	0.525	S	S	.	.	H	α-helix	trans	-89.6	-35.4	-176.5	-58.3	176	0	0	0	111.1	I80 E86	I80-I88 HydrophobicContact CD1-CD1 4.32Å; I80-I88 HydrophobicContact CG1-CD1 3.82Å; E86-I88 VanDerWaalsContact C-N 3.26Å; E86-I88 PolarHBondContact O-N 3.22Å
89	I	55.7	Low	53	Low	111 Å²	111	93.3 Å²	93.3	57%	0.569	52%	0.523	S	S	*	.	H	α-helix	trans	-85.2	-36.6	-174.5	-60.6	172.6	0	0	0	111.2	E86 T92 A93	E86-I89 PolarHBondContact O-N 3.07Å; I89-T92 PolarHBondContact O-N 2.94Å; I89-A93 WeakPolarHBondContact O-CB 3.3Å; I89-A93 PolarHBondContact O-N 3.24Å
90	L	57.3	Low	54	Low	93 Å²	93	89 Å²	89	49%	0.487	51%	0.51	S	S	.	.	H	α-helix	trans	-59.9	-41.1	-171.8	-169.5	66.7	0	0	0	114.2	E86 S94 P124	E86-L90 WeakPolarHBondContact O-CB 3.47Å; E86-L90 PolarHBondContact O-N 3.34Å; E86-L90 VanDerWaalsContact O-N 3.08Å; L90-S94 VanDerWaalsContact O-CB 3.25Å; L90-S94 WeakPolarHBondContact O-CB 3.47Å; L90-S94 PolarHBondContact O-N 2.88Å; L90-S94 PolarHBondContact O-OG 3.31Å; L90-P124 HydrophobicContact CD1-CG 4.16Å
91	P	65.7	Low	55.5	Low	82 Å²	82	86 Å²	86	53%	0.532	49%	0.494	S	S	.	.	H	α-helix	trans	-64.8	-41.1	177.5	-22.7	34.7	0	0	0	112.9	C87 S94 C95	C87-P91 VanDerWaalsContact O-CD 3.31Å; C87-P91 WeakPolarHBondContact O-CD 3.23Å; P91-S94 PolarHBondContact O-N 3.44Å; P91-C95 WeakPolarHBondContact O-CB 3.5Å; P91-C95 PolarHBondContact O-N 2.94Å
92	T	62.7	Low	57	Low	103 Å²	103	79.8 Å²	79.8	63%	0.632	48%	0.477	S	S	*	.	H	α-helix	trans	-68.6	-44.6	179.2	-54.7	0	0	0	0	111.2	I89 S94 C95 A96	I89-T92 PolarHBondContact O-N 2.94Å; T92-S94 VanDerWaalsContact C-N 3.33Å; T92-S94 PolarHBondContact O-N 2.89Å; T92-C95 PolarHBondContact O-N 2.98Å; T92-A96 PolarHBondContact O-N 2.87Å
93	A	58.7	Low	58.1	Low	41 Å²	41	76 Å²	76	34%	0.339	46%	0.461	S	S	.	.	H	α-helix	trans	-62.1	-41.5	175.5	0	0	0	0	0	111.7	I89 A96 L97	I89-A93 WeakPolarHBondContact O-CB 3.3Å; I89-A93 PolarHBondContact O-N 3.24Å; A93-A96 PolarHBondContact O-N 3.08Å; A93-L97 WeakPolarHBondContact O-CB 3.34Å; A93-L97 WeakPolarHBondContact O-CG 3.4Å; A93-L97 PolarHBondContact O-N 3.42Å
94	S	66.7	Low	59.3	Low	31 Å²	31	71.9 Å²	71.9	22%	0.217	44%	0.436	C	S	.	.	H	α-helix	trans	-65.1	-39.5	176.3	-60.2	0	0	0	0	112.1	L90 P91 T92 L97 N98	L90-S94 VanDerWaalsContact O-CB 3.25Å; L90-S94 WeakPolarHBondContact O-CB 3.47Å; L90-S94 PolarHBondContact O-N 2.88Å; L90-S94 PolarHBondContact O-OG 3.31Å; P91-S94 PolarHBondContact O-N 3.44Å; T92-S94 VanDerWaalsContact C-N 3.33Å; T92-S94 PolarHBondContact O-N 2.89Å; S94-L97 PolarHBondContact O-N 2.94Å; S94-N98 PolarHBondContact O-N 2.82Å; S94-N98 PolarHBondContact O-ND2 3.33Å; S94-N98 PolarHBondContact O-OD1 2.92Å
95	C	66.9	Low	60.5	Low	69 Å²	69	72.2 Å²	72.2	47%	0.466	43%	0.431	S	S	.	.	H	α-helix	trans	-62.2	-46.7	173.9	-173.5	0	0	0	0	111.6	P91 T92 L97 N98 I99	P91-C95 WeakPolarHBondContact O-CB 3.5Å; P91-C95 PolarHBondContact O-N 2.94Å; T92-C95 PolarHBondContact O-N 2.98Å; C95-L97 VanDerWaalsContact C-N 3.34Å; C95-L97 PolarHBondContact O-N 2.76Å; C95-N98 WeakPolarHBondContact O-CB 3.28Å; C95-N98 PolarHBondContact O-N 2.87Å; C95-I99 WeakPolarHBondContact O-CG1 3.45Å; C95-I99 PolarHBondContact O-N 3.01Å
96	A	59.1	Low	61.7	Low	58 Å²	58	73.4 Å²	73.4	48%	0.479	44%	0.436	S	S	.	.	H	α-helix	trans	-60.4	-42.6	176.6	0	0	0	0	0	112	T92 A93 I99 A100	T92-A96 PolarHBondContact O-N 2.87Å; A93-A96 PolarHBondContact O-N 3.08Å; A96-I99 PolarHBondContact O-N 3Å; A96-A100 WeakPolarHBondContact O-CB 3.31Å; A96-A100 PolarHBondContact O-N 3.45Å
97	L	63.9	Low	62.7	Low	21 Å²	21	74.7 Å²	74.7	11%	0.11	44%	0.436	C	S	.	.	H	α-helix	trans	-62.7	-42.6	174.7	-75.3	169.3	0	0	0	112.3	A93 S94 C95 I99 A100 E101 P124 L128	A93-L97 WeakPolarHBondContact O-CB 3.34Å; A93-L97 WeakPolarHBondContact O-CG 3.4Å; A93-L97 PolarHBondContact O-N 3.42Å; S94-L97 PolarHBondContact O-N 2.94Å; C95-L97 VanDerWaalsContact C-N 3.34Å; C95-L97 PolarHBondContact O-N 2.76Å; L97-I99 VanDerWaalsContact C-N 3.34Å; L97-I99 PolarHBondContact O-N 3.26Å; L97-A100 PolarHBondContact O-N 3Å; L97-E101 WeakPolarHBondContact O-CB 3.49Å; L97-E101 WeakPolarHBondContact O-CG 3.35Å; L97-E101 PolarHBondContact O-N 2.94Å; L97-P124 HydrophobicContact CD1-CB 3.68Å; L97-P124 WeakPolarHBondContact CD1-O 3.18Å; L97-L128 HydrophobicContact CD2-CB 3.91Å; L97-L128 HydrophobicContact CD2-CD1 3.92Å; L97-L128 HydrophobicContact CD2-CG 4.47Å
98	N	69.8	Low	63.7	Low	88 Å²	88	71.2 Å²	71.2	47%	0.471	41%	0.41	S	S	.	.	H	α-helix	trans	-60.2	-43.4	176.3	-68.5	-13.7	0	0	0	111.7	S94 C95 A102 R127	S94-N98 PolarHBondContact O-N 2.82Å; S94-N98 PolarHBondContact O-ND2 3.33Å; S94-N98 PolarHBondContact O-OD1 2.92Å; C95-N98 WeakPolarHBondContact O-CB 3.28Å; C95-N98 PolarHBondContact O-N 2.87Å; N98-A102 WeakPolarHBondContact O-CB 3.33Å; N98-A102 PolarHBondContact O-N 2.95Å; N98-R127 PolarHBondContact OD1-NH1 3.41Å; N98-R127 PolarHBondContact OD1-NH2 3.33Å
99	I	68	Low	64.8	Low	102 Å²	102	71.8 Å²	71.8	52%	0.523	42%	0.419	S	S	.	.	H	α-helix	trans	-64.9	-46.2	177	-65.9	167.7	0	0	0	110.1	C95 A96 L97 E101 A102 C103	C95-I99 WeakPolarHBondContact O-CG1 3.45Å; C95-I99 PolarHBondContact O-N 3.01Å; A96-I99 PolarHBondContact O-N 3Å; L97-I99 VanDerWaalsContact C-N 3.34Å; L97-I99 PolarHBondContact O-N 3.26Å; I99-E101 VanDerWaalsContact C-N 3.32Å; I99-E101 PolarHBondContact O-N 3.49Å; I99-A102 PolarHBondContact O-N 3.07Å; I99-C103 PolarHBondContact O-N 3.02Å; I99-C103 PolarHBondContact O-SG 2.92Å; I99-C103 VanDerWaalsContact O-SG 3.35Å
100	A	60.6	Low	65.6	Low	37 Å²	37	75.6 Å²	75.6	31%	0.306	43%	0.432	S	S	.	.	H	α-helix	trans	-61.5	-40.8	-180	0	0	0	0	0	111.8	A96 L97 C103 A104 L131	A96-A100 WeakPolarHBondContact O-CB 3.31Å; A96-A100 PolarHBondContact O-N 3.45Å; L97-A100 PolarHBondContact O-N 3Å; A100-C103 PolarHBondContact O-N 2.93Å; A100-A104 VanDerWaalsContact O-CB 3.26Å; A100-A104 WeakPolarHBondContact O-CB 3.18Å; A100-A104 PolarHBondContact O-N 3.12Å; A100-L131 HydrophobicContact CB-CD2 3.57Å
101	E	68.7	Low	66.4	Low	21 Å²	21	73.5 Å²	73.5	10%	0.098	42%	0.421	C	S	.	.	H	α-helix	trans	-68.4	-39.5	174.1	-74.3	-173.3	161.3	0	0	113.1	L97 I99 C103 A104 N105 R127 R130	L97-E101 WeakPolarHBondContact O-CB 3.49Å; L97-E101 WeakPolarHBondContact O-CG 3.35Å; L97-E101 PolarHBondContact O-N 2.94Å; I99-E101 VanDerWaalsContact C-N 3.32Å; I99-E101 PolarHBondContact O-N 3.49Å; E101-C103 VanDerWaalsContact C-N 3.33Å; E101-C103 PolarHBondContact O-N 3.43Å; E101-A104 WeakPolarHBondContact O-CB 3.37Å; E101-A104 PolarHBondContact O-N 3.38Å; E101-N105 WeakPolarHBondContact O-CB 3.08Å; E101-N105 PolarHBondContact O-N 2.94Å; E101-N105 PolarHBondContact O-ND2 2.68Å; E101-R127 WeakPolarHBondContact OE1-CB 3.21Å; E101-R127 IonicContact OE1-CZ 3.97Å; E101-R127 IonicContact OE1-NE 3.37Å; E101-R127 PolarHBondContact OE1-NE 2.81Å; E101-R127 IonicContact OE1-NH2 3.66Å; E101-R127 IonicContact OE2-CZ 3.44Å; E101-R127 IonicContact OE2-NE 2.65Å; E101-R127 PolarHBondContact OE2-NE 2.98Å; E101-R127 IonicContact OE2-NH2 3.92Å; E101-R127 PolarHBondContact OE2-NH2 3.47Å; E101-R130 VanDerWaalsContact CD-NH2 3.28Å; E101-R130 IonicContact OE1-CZ 3.74Å; E101-R130 IonicContact OE1-NH2 2.89Å; E101-R130 PolarHBondContact OE1-NH2 2.89Å; E101-R130 IonicContact OE2-NH2 2.66Å
102	A	69.3	Low	66.8	Low	55 Å²	55	76.4 Å²	76.4	46%	0.455	43%	0.432	S	S	.	.	H	α-helix	trans	-61	-44.6	174.8	0	0	0	0	0	110.8	N98 I99 N105 L106	N98-A102 WeakPolarHBondContact O-CB 3.33Å; N98-A102 PolarHBondContact O-N 2.95Å; I99-A102 PolarHBondContact O-N 3.07Å; A102-N105 PolarHBondContact O-N 2.97Å; A102-L106 WeakPolarHBondContact O-CG 3.35Å; A102-L106 PolarHBondContact O-N 3.34Å
103	C	64.3	Low	67.6	Low	60 Å²	60	74.8 Å²	74.8	41%	0.405	42%	0.419	S	S	.	.	H	α-helix	trans	-61.5	-46.2	172	-67.6	0	0	0	0	111.3	I99 A100 E101 N105 L106 Y107	I99-C103 PolarHBondContact O-N 3.02Å; I99-C103 PolarHBondContact O-SG 2.92Å; I99-C103 VanDerWaalsContact O-SG 3.35Å; A100-C103 PolarHBondContact O-N 2.93Å; E101-C103 VanDerWaalsContact C-N 3.33Å; E101-C103 PolarHBondContact O-N 3.43Å; C103-N105 VanDerWaalsContact C-N 3.31Å; C103-N105 PolarHBondContact O-N 2.89Å; C103-L106 WeakPolarHBondContact O-CB 3.33Å; C103-L106 PolarHBondContact O-N 3.08Å; C103-L106 VanDerWaalsContact O-N 3.08Å; C103-Y107 WeakPolarHBondContact O-CD2 3.41Å; C103-Y107 PolarHBondContact O-N 3.27Å
104	A	62	Low	68.4	Low	8 Å²	8	77.6 Å²	77.6	7%	0.066	43%	0.434	C	S	.	.	H	α-helix	trans	-60.4	-39.5	180	0	0	0	0	0	112.8	A100 E101 L106 Y107 L108 L131	A100-A104 VanDerWaalsContact O-CB 3.26Å; A100-A104 WeakPolarHBondContact O-CB 3.18Å; A100-A104 PolarHBondContact O-N 3.12Å; E101-A104 WeakPolarHBondContact O-CB 3.37Å; E101-A104 PolarHBondContact O-N 3.38Å; A104-L106 PolarHBondContact O-N 3.33Å; A104-Y107 PolarHBondContact O-N 3.35Å; A104-L108 HydrophobicContact CB-CD1 3.86Å; A104-L108 HydrophobicContact CB-CG 4.31Å; A104-L108 WeakPolarHBondContact O-CA 3.34Å; A104-L108 WeakPolarHBondContact O-CB 3.43Å; A104-L108 WeakPolarHBondContact O-CG 3.2Å; A104-L108 PolarHBondContact O-N 3.18Å; A104-L131 HydrophobicContact CB-CD1 3.23Å
105	N	69.9	Low	69	Low	96 Å²	96	79.4 Å²	79.4	51%	0.513	44%	0.438	S	S	.	.	H	α-helix	trans	-70.8	-17.7	178.4	-68.8	-20.4	0	0	0	113.4	E101 A102 C103 R134	E101-N105 WeakPolarHBondContact O-CB 3.08Å; E101-N105 PolarHBondContact O-N 2.94Å; E101-N105 PolarHBondContact O-ND2 2.68Å; A102-N105 PolarHBondContact O-N 2.97Å; C103-N105 VanDerWaalsContact C-N 3.31Å; C103-N105 PolarHBondContact O-N 2.89Å; N105-R134 PolarHBondContact OD1-NH1 2.96Å; N105-R134 PolarHBondContact OD1-NH2 2.75Å
106	L	67.3	Low	69.5	Low	136 Å²	136	77.9 Å²	77.9	71%	0.712	42%	0.423	S	S	*	.	H	α-helix	trans	-80	-31.7	171.8	-68.5	169.6	0	0	0	112.6	A102 C103 A104	A102-L106 WeakPolarHBondContact O-CG 3.35Å; A102-L106 PolarHBondContact O-N 3.34Å; C103-L106 WeakPolarHBondContact O-CB 3.33Å; C103-L106 PolarHBondContact O-N 3.08Å; C103-L106 VanDerWaalsContact O-N 3.08Å; A104-L106 PolarHBondContact O-N 3.33Å
107	Y	64.7	Low	70.1	Confident	180 Å²	180	78.4 Å²	78.4	71%	0.706	42%	0.424	S	S	*	.	H	α-helix	trans	-116.1	-24.4	-168.2	-62.2	-66.5	0	0	0	115.1	C103 A104	C103-Y107 WeakPolarHBondContact O-CD2 3.41Å; C103-Y107 PolarHBondContact O-N 3.27Å; A104-Y107 PolarHBondContact O-N 3.35Å
108	L	66	Low	70.2	Confident	27 Å²	27	86.1 Å²	86.1	14%	0.141	46%	0.463	C	S	.	.	S	Bend	trans	-97.6	153.7	180	-54.1	-176.7	0	0	0	110.2	A104 L131 R134 A135 H138	A104-L108 HydrophobicContact CB-CD1 3.86Å; A104-L108 HydrophobicContact CB-CG 4.31Å; A104-L108 WeakPolarHBondContact O-CA 3.34Å; A104-L108 WeakPolarHBondContact O-CB 3.43Å; A104-L108 WeakPolarHBondContact O-CG 3.2Å; A104-L108 PolarHBondContact O-N 3.18Å; L108-L131 HydrophobicContact CD1-CD1 4.48Å; L108-R134 HydrophobicContact CD1-CB 3.76Å; L108-A135 HydrophobicContact CD1-CB 4.49Å; L108-H138 HydrophobicContact CD2-CB 3.65Å
109	P	73.2	Confident	70	Confident	88 Å²	88	85.9 Å²	85.9	57%	0.571	48%	0.482	S	S	*	.	P	Polyproline II helix	trans	-49.8	147.6	170.9	-26.6	34.7	0	0	0	111.5	D111 R134	P109-D111 PolarHBondContact O-N 2.98Å; P109-R134 PolarHBondContact O-NH2 3.33Å
110	K	73.1	Confident	70.2	Confident	192 Å²	192	82.6 Å²	82.6	84%	0.835	47%	0.473	S	S	*	.	P	Polyproline II helix	trans	-53.9	138.5	179	-73.3	-172.5	179.3	-177.7	0	110.1
111	D	73.8	Confident	71	Confident	49 Å²	49	87.3 Å²	87.3	26%	0.262	49%	0.493	S	S	.	.			trans	-108.4	109.2	172.9	-174.3	-3.5	0	0	0	107.5	P109 D113 R130 R134	P109-D111 PolarHBondContact O-N 2.98Å; D111-D113 VanDerWaalsContact C-N 3.29Å; D111-D113 WeakPolarHBondContact OD1-CB 3.31Å; D111-D113 PolarHBondContact OD1-N 2.93Å; D111-D113 VanDerWaalsContact OD1-N 3.12Å; D111-R130 WeakPolarHBondContact OD2-CD 3.44Å; D111-R130 IonicContact OD2-CZ 3.32Å; D111-R130 IonicContact OD2-NE 3.03Å; D111-R130 PolarHBondContact OD2-NE 3.38Å; D111-R130 IonicContact OD2-NH1 2.99Å; D111-R130 PolarHBondContact OD2-NH1 3.46Å; D111-R134 WeakPolarHBondContact OD2-CD 3.36Å; D111-R134 IonicContact OD2-NE 3.79Å; D111-R134 IonicContact OD2-NH1 3.4Å
112	D	75	Confident	71.5	Confident	142 Å²	142	87.1 Å²	87.1	76%	0.759	50%	0.495	S	S	*	.			trans	-90.9	8.4	-176.1	-63.5	-36.3	0	0	0	111.9	P114	D112-P114 WeakPolarHBondContact O-CD 3.47Å
113	D	78.7	Confident	71.8	Confident	70 Å²	70	87.7 Å²	87.7	37%	0.374	49%	0.493	S	S	.	.			trans	-70.1	112.8	177.2	-173.9	-19.2	0	0	0	110.8	D111 K115 F116	D111-D113 VanDerWaalsContact C-N 3.29Å; D111-D113 WeakPolarHBondContact OD1-CB 3.31Å; D111-D113 PolarHBondContact OD1-N 2.93Å; D111-D113 VanDerWaalsContact OD1-N 3.12Å; D113-K115 PolarHBondContact O-N 2.88Å; D113-K115 VanDerWaalsContact O-N 3.14Å; D113-K115 WeakPolarHBondContact OD1-CB 3.47Å; D113-K115 PolarHBondContact OD1-N 3.07Å; D113-F116 HydrophobicContact CB-CD2 3.87Å; D113-F116 HydrophobicContact CB-CE2 4.39Å; D113-F116 PolarHBondContact O-N 3.42Å; D113-F116 VanDerWaalsContact O-N 3.16Å; D113-F116 WeakPolarHBondContact OD2-CE2 3.44Å
114	P	74.8	Confident	72	Confident	99 Å²	99	87 Å²	87	64%	0.643	49%	0.488	S	S	*	.	G	3₁₀ helix	trans	-62.4	-23.2	-176.6	25.8	-34	0	0	0	113.1	D112 F116 S117	D112-P114 WeakPolarHBondContact O-CD 3.47Å; P114-F116 PolarHBondContact O-N 2.83Å; P114-S117 WeakPolarHBondContact O-CB 3.12Å; P114-S117 PolarHBondContact O-N 2.91Å; P114-S117 VanDerWaalsContact O-N 3.16Å; P114-S117 PolarHBondContact O-OG 3.37Å
115	K	81.1	Confident	72.3	Confident	70 Å²	70	91.4 Å²	91.4	30%	0.304	51%	0.514	S	S	.	.	G	3₁₀ helix	trans	-58.9	-29.1	177.8	-174.3	175.5	178.3	175.4	0	112.6	D113 G120 A122 E126	D113-K115 PolarHBondContact O-N 2.88Å; D113-K115 VanDerWaalsContact O-N 3.14Å; D113-K115 WeakPolarHBondContact OD1-CB 3.47Å; D113-K115 PolarHBondContact OD1-N 3.07Å; K115-G120 WeakPolarHBondContact O-CA 3.49Å; K115-A122 HydrophobicContact CG-CB 4.21Å; K115-A122 WeakPolarHBondContact O-CB 3.26Å; K115-E126 VanDerWaalsContact NZ-CD 3.31Å; K115-E126 IonicContact NZ-OE1 3.68Å; K115-E126 PolarHBondContact NZ-OE1 3.02Å; K115-E126 IonicContact NZ-OE2 2.66Å
116	F	76.6	Confident	72.7	Confident	36 Å²	36	90 Å²	90	16%	0.158	50%	0.504	C	S	.	.	G	3₁₀ helix	trans	-108	13.6	-176.5	-54.7	-79.4	0	0	0	113.3	D113 P114 A122 E126 R127 R130	D113-F116 HydrophobicContact CB-CD2 3.87Å; D113-F116 HydrophobicContact CB-CE2 4.39Å; D113-F116 PolarHBondContact O-N 3.42Å; D113-F116 VanDerWaalsContact O-N 3.16Å; D113-F116 WeakPolarHBondContact OD2-CE2 3.44Å; P114-F116 PolarHBondContact O-N 2.83Å; F116-A122 HydrophobicContact CD1-CB 3.47Å; F116-A122 VanDerWaalsContact CD1-CB 3.47Å; F116-A122 HydrophobicContact CE1-CB 3.67Å; F116-A122 HydrophobicContact CG-CB 4.43Å; F116-E126 HydrophobicContact CE1-CB 4.07Å; F116-R127 HydrophobicContact CD1-CG 4.03Å; F116-R127 HydrophobicContact CE1-CG 4.41Å; F116-R130 VanDerWaalsContact CB-CZ 3.45Å; F116-R130 HydrophobicContact CD1-CB 4.47Å; F116-R130 VanDerWaalsContact CD1-CD 3.49Å; F116-R130 HydrophobicContact CD2-CG 4.22Å; F116-R130 HydrophobicContact CE1-CB 3.97Å; F116-R130 HydrophobicContact CE1-CG 4.4Å; F116-R130 HydrophobicContact CE2-CB 4.28Å; F116-R130 HydrophobicContact CE2-CG 4.04Å; F116-R130 HydrophobicContact CG-CG 4.46Å; F116-R130 HydrophobicContact CZ-CB 3.85Å; F116-R130 HydrophobicContact CZ-CG 4.13Å
117	S	72.4	Confident	73	Confident	69 Å²	69	85.3 Å²	85.3	48%	0.483	48%	0.477	S	S	.	.	S	Bend	trans	-71	164.9	171.8	67.8	0	0	0	0	111.4	P114 G119 G120	P114-S117 WeakPolarHBondContact O-CB 3.12Å; P114-S117 PolarHBondContact O-N 2.91Å; P114-S117 VanDerWaalsContact O-N 3.16Å; P114-S117 PolarHBondContact O-OG 3.37Å; S117-G119 PolarHBondContact O-N 3.36Å; S117-G119 VanDerWaalsContact O-N 3.09Å; S117-G120 PolarHBondContact O-N 2.84Å
118	I	65.5	Low	73.1	Confident	184 Å²	184	80.2 Å²	80.2	94%	0.944	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	115.1	177	-59.9	172.7	0	0	0	108.5
119	G	66.1	Low	73.4	Confident	83 Å²	83	82.9 Å²	82.9	86%	0.856	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.7	2.4	-173.7	0	0	0	0	0	114.8	S117	S117-G119 PolarHBondContact O-N 3.36Å; S117-G119 VanDerWaalsContact O-N 3.09Å
120	G	72.3	Confident	73.7	Confident	33 Å²	33	79.8 Å²	79.8	34%	0.34	46%	0.456	S	S	.	.			trans	-63.3	158.6	170.3	0	0	0	0	0	112.8	K115 S117 A122	K115-G120 WeakPolarHBondContact O-CA 3.49Å; S117-G120 PolarHBondContact O-N 2.84Å; G120-A122 VanDerWaalsContact C-N 3.29Å; G120-A122 PolarHBondContact O-N 3.26Å
121	D	76.9	Confident	73.4	Confident	135 Å²	135	71.8 Å²	71.8	72%	0.722	42%	0.422	S	S	*	.			trans	-88.1	9.8	-176.2	63.6	-16.9	0	0	0	113.5	T123	D121-T123 PolarHBondContact O-N 2.94Å
122	A	77.9	Confident	73.1	Confident	17 Å²	17	75 Å²	75	14%	0.14	44%	0.436	C	S	.	.			trans	-62.6	127.6	179.9	0	0	0	0	0	112.5	K115 F116 G120 R127	K115-A122 HydrophobicContact CG-CB 4.21Å; K115-A122 WeakPolarHBondContact O-CB 3.26Å; F116-A122 HydrophobicContact CD1-CB 3.47Å; F116-A122 VanDerWaalsContact CD1-CB 3.47Å; F116-A122 HydrophobicContact CE1-CB 3.67Å; F116-A122 HydrophobicContact CG-CB 4.43Å; G120-A122 VanDerWaalsContact C-N 3.29Å; G120-A122 PolarHBondContact O-N 3.26Å; A122-R127 HydrophobicContact CB-CG 3.75Å
123	T	77.2	Confident	73	Confident	67 Å²	67	74 Å²	74	41%	0.411	43%	0.426	S	S	.	.			trans	-65.9	154.5	171.3	63.3	0	0	0	0	111	D121 T125 E126 R127	D121-T123 PolarHBondContact O-N 2.94Å; T123-T125 PolarHBondContact O-N 3.04Å; T123-T125 VanDerWaalsContact O-N 3.16Å; T123-E126 WeakPolarHBondContact CB-OE2 3.36Å; T123-E126 PolarHBondContact N-OE2 2.98Å; T123-E126 PolarHBondContact O-N 2.83Å; T123-E126 VanDerWaalsContact O-N 3.08Å; T123-E126 VanDerWaalsContact OG1-CD 3.23Å; T123-E126 WeakPolarHBondContact OG1-CG 3.35Å; T123-E126 PolarHBondContact OG1-N 3.49Å; T123-E126 PolarHBondContact OG1-OE2 2.88Å; T123-R127 WeakPolarHBondContact O-CG 3.32Å; T123-R127 PolarHBondContact O-N 2.66Å
124	P	68.3	Low	72.7	Confident	47 Å²	47	71.8 Å²	71.8	31%	0.305	41%	0.412	S	S	.	.	H	α-helix	trans	-52.1	-37	175.2	-29.2	36.3	0	0	0	113.9	L90 L97 R127 L128	L90-P124 HydrophobicContact CD1-CG 4.16Å; L97-P124 HydrophobicContact CD1-CB 3.68Å; L97-P124 WeakPolarHBondContact CD1-O 3.18Å; P124-R127 PolarHBondContact O-N 2.89Å; P124-L128 PolarHBondContact O-N 3.31Å
125	T	68	Low	72.3	Confident	100 Å²	100	69 Å²	69	61%	0.613	40%	0.398	S	S	*	.	H	α-helix	trans	-66.1	-46.1	177	-53	0	0	0	0	111.8	T123 R127 L128 V129	T123-T125 PolarHBondContact O-N 3.04Å; T123-T125 VanDerWaalsContact O-N 3.16Å; T125-R127 VanDerWaalsContact C-N 3.3Å; T125-R127 PolarHBondContact O-N 2.77Å; T125-L128 PolarHBondContact O-N 3.35Å; T125-V129 WeakPolarHBondContact O-CG2 3.38Å; T125-V129 PolarHBondContact O-N 2.92Å
126	E	78.3	Confident	71.7	Confident	66 Å²	66	68 Å²	68	31%	0.308	40%	0.399	S	S	.	.	H	α-helix	trans	-62.9	-39.5	177.9	-70.9	166.7	134.4	0	0	111.4	K115 F116 T123 V129 R130	K115-E126 VanDerWaalsContact NZ-CD 3.31Å; K115-E126 IonicContact NZ-OE1 3.68Å; K115-E126 PolarHBondContact NZ-OE1 3.02Å; K115-E126 IonicContact NZ-OE2 2.66Å; F116-E126 HydrophobicContact CE1-CB 4.07Å; T123-E126 WeakPolarHBondContact CB-OE2 3.36Å; T123-E126 PolarHBondContact N-OE2 2.98Å; T123-E126 PolarHBondContact O-N 2.83Å; T123-E126 VanDerWaalsContact O-N 3.08Å; T123-E126 VanDerWaalsContact OG1-CD 3.23Å; T123-E126 WeakPolarHBondContact OG1-CG 3.35Å; T123-E126 PolarHBondContact OG1-N 3.49Å; T123-E126 PolarHBondContact OG1-OE2 2.88Å; E126-V129 PolarHBondContact O-N 2.94Å; E126-R130 WeakPolarHBondContact O-CB 3.31Å; E126-R130 PolarHBondContact O-N 3.21Å
127	R	73	Confident	71.6	Confident	38 Å²	38	70.4 Å²	70.4	14%	0.143	41%	0.413	C	S	.	.	H	α-helix	trans	-60.6	-43.7	174.6	-69.8	175.3	64.9	-160.4	0.6	112.1	N98 E101 F116 A122 T123 P124 T125 L131	N98-R127 PolarHBondContact OD1-NH1 3.41Å; N98-R127 PolarHBondContact OD1-NH2 3.33Å; E101-R127 WeakPolarHBondContact OE1-CB 3.21Å; E101-R127 IonicContact OE1-CZ 3.97Å; E101-R127 IonicContact OE1-NE 3.37Å; E101-R127 PolarHBondContact OE1-NE 2.81Å; E101-R127 IonicContact OE1-NH2 3.66Å; E101-R127 IonicContact OE2-CZ 3.44Å; E101-R127 IonicContact OE2-NE 2.65Å; E101-R127 PolarHBondContact OE2-NE 2.98Å; E101-R127 IonicContact OE2-NH2 3.92Å; E101-R127 PolarHBondContact OE2-NH2 3.47Å; F116-R127 HydrophobicContact CD1-CG 4.03Å; F116-R127 HydrophobicContact CE1-CG 4.41Å; A122-R127 HydrophobicContact CB-CG 3.75Å; T123-R127 WeakPolarHBondContact O-CG 3.32Å; T123-R127 PolarHBondContact O-N 2.66Å; P124-R127 PolarHBondContact O-N 2.89Å; T125-R127 VanDerWaalsContact C-N 3.3Å; T125-R127 PolarHBondContact O-N 2.77Å; R127-L131 WeakPolarHBondContact O-CB 3.4Å; R127-L131 PolarHBondContact O-N 3.43Å
128	L	67.9	Low	71.7	Confident	73 Å²	73	70.1 Å²	70.1	38%	0.382	40%	0.404	S	S	.	.	H	α-helix	trans	-64.3	-47.8	176.3	-177.6	63.9	0	0	0	111.9	L97 P124 T125 R130 L131 Q132	L97-L128 HydrophobicContact CD2-CB 3.91Å; L97-L128 HydrophobicContact CD2-CD1 3.92Å; L97-L128 HydrophobicContact CD2-CG 4.47Å; P124-L128 PolarHBondContact O-N 3.31Å; T125-L128 PolarHBondContact O-N 3.35Å; L128-R130 VanDerWaalsContact C-N 3.34Å; L128-R130 PolarHBondContact O-N 2.9Å; L128-L131 PolarHBondContact O-N 3.04Å; L128-Q132 WeakPolarHBondContact O-CG 3.42Å; L128-Q132 PolarHBondContact O-N 3.41Å
129	V	71.6	Confident	72	Confident	83 Å²	83	61.7 Å²	61.7	50%	0.503	36%	0.362	S	S	.	.	H	α-helix	trans	-60.6	-44.3	179.1	170.3	0	0	0	0	110.6	T125 E126 L131 Q132 H133	T125-V129 WeakPolarHBondContact O-CG2 3.38Å; T125-V129 PolarHBondContact O-N 2.92Å; E126-V129 PolarHBondContact O-N 2.94Å; V129-L131 PolarHBondContact O-N 3.19Å; V129-Q132 PolarHBondContact O-N 3.06Å; V129-H133 WeakPolarHBondContact O-CB 3.47Å; V129-H133 PolarHBondContact O-N 3.41Å
130	R	78.4	Confident	72.5	Confident	22 Å²	22	59.5 Å²	59.5	8%	0.083	33%	0.332	C	S	.	.	H	α-helix	trans	-58.4	-48.3	173.8	-179.9	-162.7	84.9	144.4	-21.6	111.6	E101 D111 F116 E126 L128 Q132 H133 R134	E101-R130 VanDerWaalsContact CD-NH2 3.28Å; E101-R130 IonicContact OE1-CZ 3.74Å; E101-R130 IonicContact OE1-NH2 2.89Å; E101-R130 PolarHBondContact OE1-NH2 2.89Å; E101-R130 IonicContact OE2-NH2 2.66Å; D111-R130 WeakPolarHBondContact OD2-CD 3.44Å; D111-R130 IonicContact OD2-CZ 3.32Å; D111-R130 IonicContact OD2-NE 3.03Å; D111-R130 PolarHBondContact OD2-NE 3.38Å; D111-R130 IonicContact OD2-NH1 2.99Å; D111-R130 PolarHBondContact OD2-NH1 3.46Å; F116-R130 VanDerWaalsContact CB-CZ 3.45Å; F116-R130 HydrophobicContact CD1-CB 4.47Å; F116-R130 VanDerWaalsContact CD1-CD 3.49Å; F116-R130 HydrophobicContact CD2-CG 4.22Å; F116-R130 HydrophobicContact CE1-CB 3.97Å; F116-R130 HydrophobicContact CE1-CG 4.4Å; F116-R130 HydrophobicContact CE2-CB 4.28Å; F116-R130 HydrophobicContact CE2-CG 4.04Å; F116-R130 HydrophobicContact CG-CG 4.46Å; F116-R130 HydrophobicContact CZ-CB 3.85Å; F116-R130 HydrophobicContact CZ-CG 4.13Å; E126-R130 WeakPolarHBondContact O-CB 3.31Å; E126-R130 PolarHBondContact O-N 3.21Å; L128-R130 VanDerWaalsContact C-N 3.34Å; L128-R130 PolarHBondContact O-N 2.9Å; R130-Q132 VanDerWaalsContact C-N 3.33Å; R130-Q132 PolarHBondContact O-N 3.32Å; R130-H133 PolarHBondContact O-N 3.08Å; R130-R134 HydrophobicContact CG-CG 4.43Å; R130-R134 WeakPolarHBondContact O-CG 3.44Å; R130-R134 PolarHBondContact O-N 3.44Å
131	L	67.1	Low	72.8	Confident	24 Å²	24	61.8 Å²	61.8	13%	0.126	34%	0.339	C	S	.	.	H	α-helix	trans	-60.5	-44.3	-179.8	177.6	62.3	0	0	0	111.4	A100 A104 L108 R127 L128 V129 R134 A135	A100-L131 HydrophobicContact CB-CD2 3.57Å; A104-L131 HydrophobicContact CB-CD1 3.23Å; L108-L131 HydrophobicContact CD1-CD1 4.48Å; R127-L131 WeakPolarHBondContact O-CB 3.4Å; R127-L131 PolarHBondContact O-N 3.43Å; L128-L131 PolarHBondContact O-N 3.04Å; V129-L131 PolarHBondContact O-N 3.19Å; L131-R134 PolarHBondContact O-N 3.19Å; L131-A135 VanDerWaalsContact O-CB 3.31Å; L131-A135 WeakPolarHBondContact O-CB 3.26Å; L131-A135 PolarHBondContact O-N 3.24Å
132	Q	68.2	Low	72.9	Confident	118 Å²	118	57.9 Å²	57.9	55%	0.551	32%	0.318	S	S	*	.	H	α-helix	trans	-60.5	-44.8	174.6	-73.9	175.8	-14.2	0	0	111.6	L128 V129 R130 A135 S136	L128-Q132 WeakPolarHBondContact O-CG 3.42Å; L128-Q132 PolarHBondContact O-N 3.41Å; V129-Q132 PolarHBondContact O-N 3.06Å; R130-Q132 VanDerWaalsContact C-N 3.33Å; R130-Q132 PolarHBondContact O-N 3.32Å; Q132-A135 PolarHBondContact O-N 3.21Å; Q132-S136 WeakPolarHBondContact O-CB 3.27Å; Q132-S136 PolarHBondContact O-N 3.02Å
133	H	73.2	Confident	72.9	Confident	119 Å²	119	57.3 Å²	57.3	55%	0.551	31%	0.313	S	S	*	.	H	α-helix	trans	-63.1	-47.7	178.7	-174.7	62.5	0	0	0	112.1	V129 R130 A135 S136 I137	V129-H133 WeakPolarHBondContact O-CB 3.47Å; V129-H133 PolarHBondContact O-N 3.41Å; R130-H133 PolarHBondContact O-N 3.08Å; H133-A135 VanDerWaalsContact C-N 3.35Å; H133-A135 PolarHBondContact O-N 2.92Å; H133-S136 WeakPolarHBondContact O-CB 3.3Å; H133-S136 PolarHBondContact O-N 3.43Å; H133-I137 WeakPolarHBondContact NE2-CD1 3.27Å; H133-I137 WeakPolarHBondContact O-CG1 3.35Å; H133-I137 PolarHBondContact O-N 3.12Å
134	R	72.4	Confident	73.2	Confident	25 Å²	25	56.5 Å²	56.5	9%	0.094	30%	0.304	C	S	.	.	H	α-helix	trans	-59.4	-44.9	175.6	-72.8	176.8	66.2	-165.9	1	112	N105 L108 P109 D111 R130 L131 S136 I137 H138	N105-R134 PolarHBondContact OD1-NH1 2.96Å; N105-R134 PolarHBondContact OD1-NH2 2.75Å; L108-R134 HydrophobicContact CD1-CB 3.76Å; P109-R134 PolarHBondContact O-NH2 3.33Å; D111-R134 WeakPolarHBondContact OD2-CD 3.36Å; D111-R134 IonicContact OD2-NE 3.79Å; D111-R134 IonicContact OD2-NH1 3.4Å; R130-R134 HydrophobicContact CG-CG 4.43Å; R130-R134 WeakPolarHBondContact O-CG 3.44Å; R130-R134 PolarHBondContact O-N 3.44Å; L131-R134 PolarHBondContact O-N 3.19Å; R134-S136 VanDerWaalsContact C-N 3.33Å; R134-S136 PolarHBondContact O-N 3.02Å; R134-I137 PolarHBondContact O-N 3.06Å; R134-H138 WeakPolarHBondContact O-CB 3.5Å; R134-H138 PolarHBondContact O-N 3.43Å
135	A	66.9	Low	73.9	Confident	41 Å²	41	57.2 Å²	57.2	34%	0.339	31%	0.31	S	S	.	.	H	α-helix	trans	-63.1	-40.9	177.8	0	0	0	0	0	111.5	L108 L131 Q132 H133 A139	L108-A135 HydrophobicContact CD1-CB 4.49Å; L131-A135 VanDerWaalsContact O-CB 3.31Å; L131-A135 WeakPolarHBondContact O-CB 3.26Å; L131-A135 PolarHBondContact O-N 3.24Å; Q132-A135 PolarHBondContact O-N 3.21Å; H133-A135 VanDerWaalsContact C-N 3.35Å; H133-A135 PolarHBondContact O-N 2.92Å; A135-A139 VanDerWaalsContact O-CB 3.28Å; A135-A139 WeakPolarHBondContact O-CB 3.43Å; A135-A139 PolarHBondContact O-N 3.5Å
136	S	67.3	Low	74.8	Confident	48 Å²	48	52.9 Å²	52.9	34%	0.336	28%	0.284	S	S	.	.	H	α-helix	trans	-63.9	-49.3	176.8	-177	0	0	0	0	112.1	Q132 H133 R134 H138 A139 V140	Q132-S136 WeakPolarHBondContact O-CB 3.27Å; Q132-S136 PolarHBondContact O-N 3.02Å; H133-S136 WeakPolarHBondContact O-CB 3.3Å; H133-S136 PolarHBondContact O-N 3.43Å; R134-S136 VanDerWaalsContact C-N 3.33Å; R134-S136 PolarHBondContact O-N 3.02Å; S136-H138 VanDerWaalsContact C-N 3.33Å; S136-H138 PolarHBondContact O-N 2.8Å; S136-A139 WeakPolarHBondContact O-CB 3.34Å; S136-A139 PolarHBondContact O-N 3.03Å; S136-V140 WeakPolarHBondContact O-CG2 3.38Å; S136-V140 PolarHBondContact O-N 2.92Å
137	I	74	Confident	75.2	Confident	87 Å²	87	49.9 Å²	49.9	45%	0.446	27%	0.27	S	S	.	.	H	α-helix	trans	-59	-45.6	176.6	-70.6	172.7	0	0	0	111.1	H133 R134 A139 V140 T141	H133-I137 WeakPolarHBondContact NE2-CD1 3.27Å; H133-I137 WeakPolarHBondContact O-CG1 3.35Å; H133-I137 PolarHBondContact O-N 3.12Å; R134-I137 PolarHBondContact O-N 3.06Å; I137-A139 VanDerWaalsContact C-N 3.33Å; I137-A139 PolarHBondContact O-N 2.65Å; I137-V140 PolarHBondContact O-N 3.44Å; I137-T141 PolarHBondContact O-N 3.45Å; I137-T141 PolarHBondContact O-OG1 2.86Å
138	H	75.1	Confident	75.8	Confident	62 Å²	62	50.9 Å²	50.9	29%	0.287	28%	0.278	S	S	.	.	H	α-helix	trans	-64.5	-39.4	178.8	-179.8	-95	0	0	0	111.7	L108 R134 S136 T141 L142	L108-H138 HydrophobicContact CD2-CB 3.65Å; R134-H138 WeakPolarHBondContact O-CB 3.5Å; R134-H138 PolarHBondContact O-N 3.43Å; S136-H138 VanDerWaalsContact C-N 3.33Å; S136-H138 PolarHBondContact O-N 2.8Å; H138-T141 PolarHBondContact O-N 3.36Å; H138-L142 VanDerWaalsContact O-CB 3.3Å; H138-L142 WeakPolarHBondContact O-CB 3.43Å; H138-L142 PolarHBondContact O-N 3.5Å
139	A	71.5	Confident	76.8	Confident	7 Å²	7	54 Å²	54	6%	0.058	29%	0.285	C	S	.	.	H	α-helix	trans	-62.9	-43.6	175.5	0	0	0	0	0	112	A135 S136 I137 L142 I143 T190 V194	A135-A139 VanDerWaalsContact O-CB 3.28Å; A135-A139 WeakPolarHBondContact O-CB 3.43Å; A135-A139 PolarHBondContact O-N 3.5Å; S136-A139 WeakPolarHBondContact O-CB 3.34Å; S136-A139 PolarHBondContact O-N 3.03Å; I137-A139 VanDerWaalsContact C-N 3.33Å; I137-A139 PolarHBondContact O-N 2.65Å; A139-L142 PolarHBondContact O-N 3.46Å; A139-I143 WeakPolarHBondContact O-CD1 3.42Å; A139-I143 WeakPolarHBondContact O-CG1 3.37Å; A139-I143 PolarHBondContact O-N 3.41Å; A139-T190 HydrophobicContact CB-CG2 3.69Å; A139-V194 HydrophobicContact CB-CB 4.14Å; A139-V194 HydrophobicContact CB-CG1 3.32Å; A139-V194 HydrophobicContact CB-CG2 3.85Å
140	V	76.5	Confident	77.6	Confident	37 Å²	37	50 Å²	50	22%	0.224	26%	0.261	C	S	.	.	H	α-helix	trans	-58.9	-49.5	173.7	171.5	0	0	0	0	110.2	S136 I137 L142 I143 H144 L196	S136-V140 WeakPolarHBondContact O-CG2 3.38Å; S136-V140 PolarHBondContact O-N 2.92Å; I137-V140 PolarHBondContact O-N 3.44Å; V140-L142 VanDerWaalsContact C-N 3.31Å; V140-L142 PolarHBondContact O-N 2.91Å; V140-I143 WeakPolarHBondContact O-CB 3.41Å; V140-I143 PolarHBondContact O-N 3.21Å; V140-I143 VanDerWaalsContact O-N 3.12Å; V140-H144 PolarHBondContact O-CD2 3.14Å; V140-H144 PolarHBondContact O-N 2.88Å; V140-L196 HydrophobicContact CG2-CD1 3.87Å
141	T	79.9	Confident	78.1	Confident	82 Å²	82	49.6 Å²	49.6	50%	0.503	26%	0.26	S	S	.	.	H	α-helix	trans	-59.4	-41.7	177.9	-54	0	0	0	0	112.1	I137 H138 H144 S145	I137-T141 PolarHBondContact O-N 3.45Å; I137-T141 PolarHBondContact O-OG1 2.86Å; H138-T141 PolarHBondContact O-N 3.36Å; T141-H144 PolarHBondContact O-N 2.89Å; T141-S145 WeakPolarHBondContact O-CB 3.35Å; T141-S145 PolarHBondContact O-N 3.16Å; T141-S145 PolarHBondContact O-OG 2.8Å
142	L	77.6	Confident	79.2	Confident	52 Å²	52	51 Å²	51	27%	0.272	27%	0.272	S	S	.	.	H	α-helix	trans	-63.5	-43.3	176.3	-177.7	63.8	0	0	0	111	H138 A139 V140 S145 T146 T190	H138-L142 VanDerWaalsContact O-CB 3.3Å; H138-L142 WeakPolarHBondContact O-CB 3.43Å; H138-L142 PolarHBondContact O-N 3.5Å; A139-L142 PolarHBondContact O-N 3.46Å; V140-L142 VanDerWaalsContact C-N 3.31Å; V140-L142 PolarHBondContact O-N 2.91Å; L142-S145 WeakPolarHBondContact CA-OG 3.39Å; L142-S145 PolarHBondContact O-N 3.36Å; L142-S145 PolarHBondContact O-OG 2.82Å; L142-T146 HydrophobicContact CD1-CG2 3.96Å; L142-T146 HydrophobicContact CG-CG2 4.35Å; L142-T146 WeakPolarHBondContact O-CB 3.44Å; L142-T146 VanDerWaalsContact O-CG2 3.23Å; L142-T146 WeakPolarHBondContact O-CG2 3.42Å; L142-T146 PolarHBondContact O-N 2.66Å; L142-T146 PolarHBondContact O-OG1 3.49Å; L142-T190 HydrophobicContact CD2-CG2 4.23Å
143	I	78.1	Confident	80.2	Confident	5 Å²	5	46.5 Å²	46.5	3%	0.026	25%	0.252	C	S	.	.	H	α-helix	trans	-60.1	-51.2	175.6	-67.9	158.9	0	0	0	110.4	A139 V140 S145 T146 V147 A187 T190 A191 V194 L196 V199 I203	A139-I143 WeakPolarHBondContact O-CD1 3.42Å; A139-I143 WeakPolarHBondContact O-CG1 3.37Å; A139-I143 PolarHBondContact O-N 3.41Å; V140-I143 WeakPolarHBondContact O-CB 3.41Å; V140-I143 PolarHBondContact O-N 3.21Å; V140-I143 VanDerWaalsContact O-N 3.12Å; I143-S145 PolarHBondContact O-N 2.98Å; I143-T146 WeakPolarHBondContact CA-OG1 3.48Å; I143-T146 PolarHBondContact O-N 2.99Å; I143-T146 PolarHBondContact O-OG1 2.96Å; I143-V147 HydrophobicContact CG2-CG2 4.23Å; I143-V147 WeakPolarHBondContact O-CB 3.36Å; I143-V147 VanDerWaalsContact O-CG2 3.25Å; I143-V147 WeakPolarHBondContact O-CG2 3.25Å; I143-V147 PolarHBondContact O-N 3.48Å; I143-A187 HydrophobicContact CG2-CB 4.43Å; I143-T190 HydrophobicContact CD1-CG2 4.01Å; I143-T190 HydrophobicContact CG1-CG2 3.82Å; I143-A191 HydrophobicContact CD1-CB 3.85Å; I143-V194 HydrophobicContact CD1-CG2 4.38Å; I143-L196 HydrophobicContact CD1-CD1 3.9Å; I143-V199 HydrophobicContact CD1-CG1 4.41Å; I143-V199 HydrophobicContact CG2-CG1 3.73Å; I143-I203 HydrophobicContact CG2-CD1 3.99Å
144	H	83.7	Confident	81	Confident	50 Å²	50	40.8 Å²	40.8	23%	0.231	23%	0.225	C	C	.	.	H	α-helix	trans	-59.8	-48	179.5	-76.1	-80	0	0	0	111.8	V140 T141 T146 V147 D148 D243	V140-H144 PolarHBondContact O-CD2 3.14Å; V140-H144 PolarHBondContact O-N 2.88Å; T141-H144 PolarHBondContact O-N 2.89Å; H144-T146 PolarHBondContact O-N 3.17Å; H144-V147 PolarHBondContact O-N 3.18Å; H144-D148 VanDerWaalsContact O-CB 3.26Å; H144-D148 WeakPolarHBondContact O-CB 3.49Å; H144-D148 PolarHBondContact O-N 3.16Å; H144-D243 IonicContact CE1-OD1 2.66Å; H144-D243 PolarHBondContact CE1-OD1 3.31Å; H144-D243 IonicContact ND1-OD1 3.92Å
145	S	84	Confident	81.7	Confident	63 Å²	63	41.3 Å²	41.3	44%	0.441	23%	0.233	S	C	.	.	H	α-helix	trans	-64.3	-38	-178.8	62.3	0	0	0	0	113.3	T141 L142 I143 R149	T141-S145 WeakPolarHBondContact O-CB 3.35Å; T141-S145 PolarHBondContact O-N 3.16Å; T141-S145 PolarHBondContact O-OG 2.8Å; L142-S145 WeakPolarHBondContact CA-OG 3.39Å; L142-S145 PolarHBondContact O-N 3.36Å; L142-S145 PolarHBondContact O-OG 2.82Å; I143-S145 PolarHBondContact O-N 2.98Å; S145-R149 VanDerWaalsContact O-CB 3.3Å; S145-R149 WeakPolarHBondContact O-CB 3.35Å; S145-R149 PolarHBondContact O-N 2.76Å
146	T	85.5	Confident	82.6	Confident	9 Å²	9	42.3 Å²	42.3	6%	0.055	24%	0.235	C	C	.	.	H	α-helix	trans	-72.1	-42.8	178.2	50.2	0	0	0	0	112	L142 I143 H144 R149 A150 L183 L186 A187	L142-T146 HydrophobicContact CD1-CG2 3.96Å; L142-T146 HydrophobicContact CG-CG2 4.35Å; L142-T146 WeakPolarHBondContact O-CB 3.44Å; L142-T146 VanDerWaalsContact O-CG2 3.23Å; L142-T146 WeakPolarHBondContact O-CG2 3.42Å; L142-T146 PolarHBondContact O-N 2.66Å; L142-T146 PolarHBondContact O-OG1 3.49Å; I143-T146 WeakPolarHBondContact CA-OG1 3.48Å; I143-T146 PolarHBondContact O-N 2.99Å; I143-T146 PolarHBondContact O-OG1 2.96Å; H144-T146 PolarHBondContact O-N 3.17Å; T146-R149 PolarHBondContact O-N 3.23Å; T146-A150 WeakPolarHBondContact O-CB 3.34Å; T146-A150 PolarHBondContact O-N 3.31Å; T146-L183 HydrophobicContact CG2-CD2 4.31Å; T146-L186 HydrophobicContact CG2-CD2 3.83Å; T146-L186 HydrophobicContact CG2-CG 4.36Å; T146-A187 WeakPolarHBondContact OG1-CB 3.49Å
147	V	86.3	Confident	83.5	Confident	3 Å²	3	40.2 Å²	40.2	2%	0.018	22%	0.22	C	C	.	.	H	α-helix	trans	-62.8	-46.3	173.9	169.8	0	0	0	0	110.8	I143 H144 R149 A150 N151 Y184 A187 I203 F242	I143-V147 HydrophobicContact CG2-CG2 4.23Å; I143-V147 WeakPolarHBondContact O-CB 3.36Å; I143-V147 VanDerWaalsContact O-CG2 3.25Å; I143-V147 WeakPolarHBondContact O-CG2 3.25Å; I143-V147 PolarHBondContact O-N 3.48Å; H144-V147 PolarHBondContact O-N 3.18Å; V147-R149 VanDerWaalsContact C-N 3.32Å; V147-R149 PolarHBondContact O-N 3.31Å; V147-A150 PolarHBondContact O-N 3.41Å; V147-N151 WeakPolarHBondContact O-CB 3.33Å; V147-N151 PolarHBondContact O-N 2.84Å; V147-N151 PolarHBondContact O-OD1 3.43Å; V147-Y184 HydrophobicContact CG1-CE1 4.37Å; V147-Y184 HydrophobicContact CG2-CD1 4.45Å; V147-A187 HydrophobicContact CG2-CB 3.91Å; V147-I203 HydrophobicContact CG2-CD1 4.27Å; V147-I203 HydrophobicContact CG2-CG1 4.3Å; V147-F242 HydrophobicContact CG1-CD2 4.25Å; V147-F242 HydrophobicContact CG1-CE2 3.93Å
148	D	86.8	Confident	83.9	Confident	59 Å²	59	36.6 Å²	36.6	32%	0.316	20%	0.203	S	C	.	.	H	α-helix	trans	-62	-40.3	178	-85.3	-13.1	0	0	0	112.1	H144 N151 S152 K239	H144-D148 VanDerWaalsContact O-CB 3.26Å; H144-D148 WeakPolarHBondContact O-CB 3.49Å; H144-D148 PolarHBondContact O-N 3.16Å; D148-N151 PolarHBondContact O-N 3.34Å; D148-S152 VanDerWaalsContact O-CB 3.3Å; D148-S152 WeakPolarHBondContact O-CB 3.31Å; D148-S152 PolarHBondContact O-N 3.47Å; D148-K239 VanDerWaalsContact CG-NZ 3.26Å; D148-K239 VanDerWaalsContact OD1-CE 3.3Å; D148-K239 WeakPolarHBondContact OD1-CE 3.19Å; D148-K239 IonicContact OD1-NZ 2.72Å; D148-K239 PolarHBondContact OD1-NZ 3.48Å; D148-K239 IonicContact OD2-NZ 3.13Å; D148-K239 PolarHBondContact OD2-NZ 2.93Å; D148-K239 VanDerWaalsContact OD2-NZ 3.13Å
149	R	88.6	Confident	84.2	Confident	137 Å²	137	38.1 Å²	38.1	52%	0.517	22%	0.217	S	C	.	.	H	α-helix	trans	-64.5	-43.3	175.5	-176.2	58.4	176.6	157.1	-0.2	111.7	S145 T146 V147 S152 L153 L183	S145-R149 VanDerWaalsContact O-CB 3.3Å; S145-R149 WeakPolarHBondContact O-CB 3.35Å; S145-R149 PolarHBondContact O-N 2.76Å; T146-R149 PolarHBondContact O-N 3.23Å; V147-R149 VanDerWaalsContact C-N 3.32Å; V147-R149 PolarHBondContact O-N 3.31Å; R149-S152 PolarHBondContact O-N 3.02Å; R149-L153 WeakPolarHBondContact O-CG 3.35Å; R149-L153 PolarHBondContact O-N 2.97Å; R149-L153 VanDerWaalsContact O-N 3.09Å; R149-L183 HydrophobicContact CB-CD1 4.01Å; R149-L183 HydrophobicContact CG-CD1 3.64Å
150	A	88.9	Confident	84.3	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-64	-45	177	0	0	0	0	0	111.6	T146 V147 S152 L153 L154 A180 L183 Y184	T146-A150 WeakPolarHBondContact O-CB 3.34Å; T146-A150 PolarHBondContact O-N 3.31Å; V147-A150 PolarHBondContact O-N 3.41Å; A150-S152 VanDerWaalsContact C-N 3.32Å; A150-S152 PolarHBondContact O-N 3.08Å; A150-L153 WeakPolarHBondContact O-CB 3.21Å; A150-L153 PolarHBondContact O-N 3.2Å; A150-L154 WeakPolarHBondContact O-CG 3.5Å; A150-L154 PolarHBondContact O-N 2.93Å; A150-A180 HydrophobicContact CB-CB 4.36Å; A150-L183 HydrophobicContact CB-CB 3.89Å; A150-L183 HydrophobicContact CB-CD1 4.1Å; A150-Y184 HydrophobicContact CB-CD1 4.08Å; A150-Y184 HydrophobicContact CB-CD2 4.09Å; A150-Y184 HydrophobicContact CB-CE1 3.62Å; A150-Y184 HydrophobicContact CB-CE2 3.64Å; A150-Y184 HydrophobicContact CB-CG 4.28Å
151	N	88.4	Confident	83.8	Confident	13 Å²	13	42.2 Å²	42.2	7%	0.07	23%	0.229	C	C	.	.	H	α-helix	trans	-59.9	-42.4	176	-69.7	-1.4	0	0	0	111.3	V147 D148 L153 L154 S155 Y184 L235	V147-N151 WeakPolarHBondContact O-CB 3.33Å; V147-N151 PolarHBondContact O-N 2.84Å; V147-N151 PolarHBondContact O-OD1 3.43Å; D148-N151 PolarHBondContact O-N 3.34Å; N151-L153 PolarHBondContact O-N 3.22Å; N151-L154 PolarHBondContact O-N 3.05Å; N151-S155 VanDerWaalsContact O-CB 3.27Å; N151-S155 WeakPolarHBondContact O-CB 3.36Å; N151-S155 PolarHBondContact O-N 3.32Å; N151-S155 PolarHBondContact O-OG 2.76Å; N151-Y184 PolarHBondContact OD1-OH 3.49Å; N151-L235 WeakPolarHBondContact OD1-CD2 3.32Å
152	S	89.8	Confident	82.6	Confident	54 Å²	54	41.5 Å²	41.5	38%	0.378	23%	0.228	S	C	.	.	H	α-helix	trans	-61.9	-42.4	176.7	176.4	0	0	0	0	112.1	D148 R149 A150 T156	D148-S152 VanDerWaalsContact O-CB 3.3Å; D148-S152 WeakPolarHBondContact O-CB 3.31Å; D148-S152 PolarHBondContact O-N 3.47Å; R149-S152 PolarHBondContact O-N 3.02Å; A150-S152 VanDerWaalsContact C-N 3.32Å; A150-S152 PolarHBondContact O-N 3.08Å; S152-T156 VanDerWaalsContact O-CB 3.28Å; S152-T156 WeakPolarHBondContact O-CB 3.17Å; S152-T156 PolarHBondContact O-N 3.2Å; S152-T156 PolarHBondContact O-OG1 3.18Å
153	L	89.9	Confident	81.3	Confident	23 Å²	23	45.6 Å²	45.6	12%	0.12	25%	0.25	C	C	.	.	H	α-helix	trans	-60.8	-47	175.6	-72.3	172.8	0	0	0	111.6	R149 A150 N151 L157 T176 Q179 L183	R149-L153 WeakPolarHBondContact O-CG 3.35Å; R149-L153 PolarHBondContact O-N 2.97Å; R149-L153 VanDerWaalsContact O-N 3.09Å; A150-L153 WeakPolarHBondContact O-CB 3.21Å; A150-L153 PolarHBondContact O-N 3.2Å; N151-L153 PolarHBondContact O-N 3.22Å; L153-L157 WeakPolarHBondContact O-CB 3.3Å; L153-L157 PolarHBondContact O-N 3.48Å; L153-T176 HydrophobicContact CB-CG2 3.96Å; L153-Q179 HydrophobicContact CD1-CB 3.85Å; L153-L183 HydrophobicContact CD1-CD1 3.9Å
154	L	89	Confident	80.1	Confident	0 Å²	0	54 Å²	54	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-70.3	-39.2	-179.5	-65.7	179.1	0	0	0	112.9	A150 N151 L157 A158 F177 A180 Y184 V210 L228 L231 V232 L235	A150-L154 WeakPolarHBondContact O-CG 3.5Å; A150-L154 PolarHBondContact O-N 2.93Å; N151-L154 PolarHBondContact O-N 3.05Å; L154-L157 WeakPolarHBondContact O-CB 3.18Å; L154-L157 PolarHBondContact O-N 2.95Å; L154-A158 WeakPolarHBondContact O-CB 3.37Å; L154-A158 PolarHBondContact O-N 3.32Å; L154-F177 HydrophobicContact CD2-CD1 3.64Å; L154-F177 HydrophobicContact CD2-CE1 3.53Å; L154-A180 HydrophobicContact CD1-CB 4.27Å; L154-A180 HydrophobicContact CD2-CB 3.97Å; L154-A180 HydrophobicContact CG-CB 4Å; L154-Y184 HydrophobicContact CD1-CE2 3.94Å; L154-V210 HydrophobicContact CD1-CG2 3.91Å; L154-L228 HydrophobicContact CB-CD1 4.5Å; L154-L228 HydrophobicContact CD2-CD1 4.29Å; L154-L231 HydrophobicContact CD1-CD2 4.2Å; L154-V232 HydrophobicContact CB-CG2 4.26Å; L154-L235 HydrophobicContact CB-CD1 4.44Å; L154-L235 HydrophobicContact CD1-CD1 3.67Å
155	S	87.4	Confident	78.8	Confident	36 Å²	36	57.5 Å²	57.5	25%	0.252	31%	0.314	S	S	.	.	H	α-helix	trans	-64.3	-44.5	175.6	-56.9	0	0	0	0	110.6	N151 L157 A158 T159	N151-S155 VanDerWaalsContact O-CB 3.27Å; N151-S155 WeakPolarHBondContact O-CB 3.36Å; N151-S155 PolarHBondContact O-N 3.32Å; N151-S155 PolarHBondContact O-OG 2.76Å; S155-L157 VanDerWaalsContact C-N 3.3Å; S155-L157 PolarHBondContact O-N 2.88Å; S155-A158 WeakPolarHBondContact O-CB 3.25Å; S155-A158 PolarHBondContact O-N 3.14Å; S155-A158 VanDerWaalsContact O-N 3.11Å; S155-T159 WeakPolarHBondContact O-CG2 3.4Å; S155-T159 PolarHBondContact O-N 3.42Å
156	T	86.5	Confident	77.9	Confident	62 Å²	62	57.8 Å²	57.8	38%	0.38	31%	0.309	S	S	.	.	H	α-helix	trans	-58.6	-44.9	174.1	-57	0	0	0	0	110.4	S152 A158 T159 Y160	S152-T156 VanDerWaalsContact O-CB 3.28Å; S152-T156 WeakPolarHBondContact O-CB 3.17Å; S152-T156 PolarHBondContact O-N 3.2Å; S152-T156 PolarHBondContact O-OG1 3.18Å; T156-A158 VanDerWaalsContact C-N 3.34Å; T156-A158 PolarHBondContact O-N 3.41Å; T156-T159 PolarHBondContact O-N 3.48Å; T156-T159 PolarHBondContact O-OG1 3.21Å; T156-Y160 HydrophobicContact CG2-CE2 3.73Å; T156-Y160 WeakPolarHBondContact O-CD2 3.43Å; T156-Y160 PolarHBondContact O-N 3.47Å
157	L	86.3	Confident	77.1	Confident	4 Å²	4	62.3 Å²	62.3	2%	0.021	34%	0.337	C	S	.	.	H	α-helix	trans	-59.5	-44.5	174.9	-176	62.4	0	0	0	111.9	L153 L154 S155 T159 Y160 G161 V168 I173 T176 F177 I223 W225 L228	L153-L157 WeakPolarHBondContact O-CB 3.3Å; L153-L157 PolarHBondContact O-N 3.48Å; L154-L157 WeakPolarHBondContact O-CB 3.18Å; L154-L157 PolarHBondContact O-N 2.95Å; S155-L157 VanDerWaalsContact C-N 3.3Å; S155-L157 PolarHBondContact O-N 2.88Å; L157-T159 VanDerWaalsContact C-N 3.3Å; L157-T159 PolarHBondContact O-N 3.24Å; L157-Y160 PolarHBondContact O-N 2.89Å; L157-G161 PolarHBondContact O-N 2.68Å; L157-V168 HydrophobicContact CD1-CG1 4.46Å; L157-I173 HydrophobicContact CD1-CG1 3.97Å; L157-I173 HydrophobicContact CD1-CG2 4.46Å; L157-I173 HydrophobicContact CD2-CG2 4.15Å; L157-T176 HydrophobicContact CB-CG2 4.23Å; L157-T176 HydrophobicContact CD2-CG2 4.23Å; L157-F177 HydrophobicContact CD2-CE1 4.44Å; L157-F177 HydrophobicContact CD2-CE2 4.21Å; L157-F177 HydrophobicContact CD2-CZ 4.09Å; L157-I223 HydrophobicContact CD2-CD1 4.33Å; L157-W225 HydrophobicContact CD1-CH2 4.24Å; L157-W225 HydrophobicContact CD1-CZ3 4.3Å; L157-W225 HydrophobicContact CG-CZ3 4.22Å; L157-W225 VanDerWaalsContact O-CZ3 3.28Å; L157-W225 WeakPolarHBondContact O-CZ3 3.47Å; L157-L228 HydrophobicContact CB-CD2 4.16Å; L157-L228 HydrophobicContact CD2-CD2 3.82Å; L157-L228 HydrophobicContact CG-CD2 3.68Å
158	A	83.1	Confident	76.6	Confident	11 Å²	11	62.9 Å²	62.9	9%	0.091	34%	0.34	C	S	.	.	H	α-helix	trans	-63.4	-31.7	179.3	0	0	0	0	0	113.3	L154 S155 T156 Y160 G161 L228 K229 V232	L154-A158 WeakPolarHBondContact O-CB 3.37Å; L154-A158 PolarHBondContact O-N 3.32Å; S155-A158 WeakPolarHBondContact O-CB 3.25Å; S155-A158 PolarHBondContact O-N 3.14Å; S155-A158 VanDerWaalsContact O-N 3.11Å; T156-A158 VanDerWaalsContact C-N 3.34Å; T156-A158 PolarHBondContact O-N 3.41Å; A158-Y160 VanDerWaalsContact C-N 3.35Å; A158-G161 PolarHBondContact O-N 2.87Å; A158-G161 VanDerWaalsContact O-N 3.14Å; A158-L228 HydrophobicContact CB-CD2 4.06Å; A158-L228 HydrophobicContact CB-CG 4.1Å; A158-K229 HydrophobicContact CB-CG 4.47Å; A158-V232 HydrophobicContact CB-CG2 3.95Å
159	T	80.4	Confident	76.3	Confident	94 Å²	94	63.2 Å²	63.2	58%	0.577	35%	0.347	S	S	*	.	H	α-helix	trans	-65.5	-36.6	175.2	62.9	0	0	0	0	112.7	S155 T156 L157 G161 S162	S155-T159 WeakPolarHBondContact O-CG2 3.4Å; S155-T159 PolarHBondContact O-N 3.42Å; T156-T159 PolarHBondContact O-N 3.48Å; T156-T159 PolarHBondContact O-OG1 3.21Å; L157-T159 VanDerWaalsContact C-N 3.3Å; L157-T159 PolarHBondContact O-N 3.24Å; T159-G161 PolarHBondContact O-N 3.46Å; T159-S162 PolarHBondContact O-OG 3.09Å
160	Y	74.3	Confident	75.9	Confident	122 Å²	122	61.6 Å²	61.6	48%	0.478	34%	0.344	S	S	.	.	H	α-helix	trans	-68.1	-20.5	174.3	-63.1	-61.9	0	0	0	113.1	T156 L157 A158 S162 T167 V168	T156-Y160 HydrophobicContact CG2-CE2 3.73Å; T156-Y160 WeakPolarHBondContact O-CD2 3.43Å; T156-Y160 PolarHBondContact O-N 3.47Å; L157-Y160 PolarHBondContact O-N 2.89Å; A158-Y160 VanDerWaalsContact C-N 3.35Å; Y160-S162 PolarHBondContact O-N 2.87Å; Y160-T167 PolarHBondContact O-OG1 2.69Å; Y160-V168 HydrophobicContact CD1-CG2 4.18Å; Y160-V168 HydrophobicContact CD2-CG2 3.73Å; Y160-V168 HydrophobicContact CG-CG2 3.5Å
161	G	64.6	Low	75.7	Confident	7 Å²	7	65 Å²	65	7%	0.072	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	23.9	180	0	0	0	0	0	115.9	L157 A158 T159 W225	L157-G161 PolarHBondContact O-N 2.68Å; A158-G161 PolarHBondContact O-N 2.87Å; A158-G161 VanDerWaalsContact O-N 3.14Å; T159-G161 PolarHBondContact O-N 3.46Å; G161-W225 VanDerWaalsContact CA-CD2 3.47Å; G161-W225 VanDerWaalsContact CA-CZ3 3.44Å
162	S	56	Low	75.5	Confident	67 Å²	67	67.7 Å²	67.7	47%	0.469	39%	0.389	S	S	.	.			trans	-94.3	125.3	179.1	56.8	0	0	0	0	111.6	T159 Y160	T159-S162 PolarHBondContact O-OG 3.09Å; Y160-S162 PolarHBondContact O-N 2.87Å
163	N	50.1	Low	75.3	Confident	138 Å²	138	65.1 Å²	65.1	74%	0.738	37%	0.371	S	S	*	.	S	Bend	trans	71.7	83.5	172.5	-53.9	-21.9	0	0	0	116.2	N165	N163-N165 PolarHBondContact O-N 3.34Å
164	L	52.7	Low	75	Confident	182 Å²	182	69.3 Å²	69.3	95%	0.953	39%	0.388	S	S	*	.	S	Bend	trans	63.1	-17.9	154.6	-69.6	156.9	0	0	0	118.9
165	N	57.1	Low	75	Confident	123 Å²	123	73.5 Å²	73.5	66%	0.658	41%	0.411	S	S	*	.	S	Bend	trans	-127.9	128.1	-177.5	-71.4	-29	0	0	0	111.4	N163 T167	N163-N165 PolarHBondContact O-N 3.34Å; N165-T167 PolarHBondContact O-N 3.08Å
166	Q	63.9	Low	75	Confident	70 Å²	70	72.8 Å²	72.8	33%	0.327	40%	0.404	S	S	.	.			trans	-66.6	103.1	170.8	172.9	174.5	-6.8	0	0	109.2	V168 I173 W225	Q166-V168 VanDerWaalsContact C-N 3.31Å; Q166-V168 WeakPolarHBondContact CG-O 3.3Å; Q166-V168 PolarHBondContact NE2-O 3.37Å; Q166-I173 HydrophobicContact CG-CD1 4.11Å; Q166-W225 HydrophobicContact CB-CZ2 4.24Å; Q166-W225 HydrophobicContact CG-CZ2 4.1Å
167	T	68.8	Low	75.1	Confident	104 Å²	104	69.8 Å²	69.8	64%	0.638	39%	0.386	S	S	*	.			trans	-79.6	-16.4	176.2	53.5	0	0	0	0	112.7	Y160 N165	Y160-T167 PolarHBondContact O-OG1 2.69Å; N165-T167 PolarHBondContact O-N 3.08Å
168	V	75.3	Confident	75.3	Confident	15 Å²	15	71.9 Å²	71.9	9%	0.091	40%	0.401	C	S	.	.	S	Bend	trans	-104.4	132.7	-172	-174.8	0	0	0	0	111.2	L157 Y160 Q166 T172 I173	L157-V168 HydrophobicContact CD1-CG1 4.46Å; Y160-V168 HydrophobicContact CD1-CG2 4.18Å; Y160-V168 HydrophobicContact CD2-CG2 3.73Å; Y160-V168 HydrophobicContact CG-CG2 3.5Å; Q166-V168 VanDerWaalsContact C-N 3.31Å; Q166-V168 WeakPolarHBondContact CG-O 3.3Å; Q166-V168 PolarHBondContact NE2-O 3.37Å; V168-T172 HydrophobicContact CG1-CG2 3.57Å; V168-I173 HydrophobicContact CB-CD1 4.19Å; V168-I173 HydrophobicContact CB-CG1 4.01Å; V168-I173 HydrophobicContact CG1-CD1 4.4Å; V168-I173 HydrophobicContact CG1-CG1 3.68Å
169	S	80.8	Confident	75.6	Confident	65 Å²	65	75 Å²	75	46%	0.455	41%	0.414	S	S	.	.			trans	-59.5	142.2	179.4	85.7	0	0	0	0	112	A171 T172 I173	S169-A171 PolarHBondContact O-N 3.32Å; S169-A171 VanDerWaalsContact O-N 3.07Å; S169-T172 WeakPolarHBondContact O-CB 3.41Å; S169-T172 PolarHBondContact O-N 3.03Å; S169-T172 PolarHBondContact OG-N 3.32Å; S169-T172 VanDerWaalsContact OG-N 3.14Å; S169-T172 PolarHBondContact OG-OG1 2.93Å; S169-I173 WeakPolarHBondContact O-CG1 3.44Å; S169-I173 PolarHBondContact O-N 3.21Å; S169-I173 VanDerWaalsContact O-N 3.08Å
170	K	80.5	Confident	76	Confident	103 Å²	103	70.6 Å²	70.6	45%	0.448	39%	0.387	S	S	.	.	H	α-helix	trans	-51.6	-34.4	176.2	-175.3	171.7	179.9	160.8	0	112.5	K174 I217 S220	K170-K174 WeakPolarHBondContact O-CB 3.41Å; K170-K174 PolarHBondContact O-N 3.49Å; K170-I217 HydrophobicContact CD-CG2 4.24Å; K170-I217 WeakPolarHBondContact CE-O 3.47Å; K170-I217 HydrophobicContact CG-CG2 3.84Å; K170-I217 PolarHBondContact NZ-O 3.37Å; K170-S220 PolarHBondContact NZ-O 3.23Å
171	A	83.7	Confident	76.8	Confident	72 Å²	72	65.5 Å²	65.5	60%	0.595	37%	0.368	S	S	*	.	H	α-helix	trans	-65.5	-46	176.9	0	0	0	0	0	112.5	S169 I173 K174 N175	S169-A171 PolarHBondContact O-N 3.32Å; S169-A171 VanDerWaalsContact O-N 3.07Å; A171-I173 VanDerWaalsContact C-N 3.32Å; A171-I173 PolarHBondContact O-N 3.21Å; A171-K174 PolarHBondContact O-N 2.91Å; A171-N175 VanDerWaalsContact O-CB 3.31Å; A171-N175 WeakPolarHBondContact O-CB 3.32Å; A171-N175 PolarHBondContact O-N 2.87Å
172	T	85.2	Confident	78	Confident	69 Å²	69	67.8 Å²	67.8	42%	0.423	39%	0.386	S	S	.	.	H	α-helix	trans	-62.2	-42.2	176.6	-53.8	0	0	0	0	111.1	V168 S169 N175 T176	V168-T172 HydrophobicContact CG1-CG2 3.57Å; S169-T172 WeakPolarHBondContact O-CB 3.41Å; S169-T172 PolarHBondContact O-N 3.03Å; S169-T172 PolarHBondContact OG-N 3.32Å; S169-T172 VanDerWaalsContact OG-N 3.14Å; S169-T172 PolarHBondContact OG-OG1 2.93Å; T172-N175 PolarHBondContact O-N 2.66Å; T172-T176 WeakPolarHBondContact O-CB 3.16Å; T172-T176 PolarHBondContact O-N 2.69Å; T172-T176 PolarHBondContact O-OG1 2.88Å
173	I	84.7	Confident	79.5	Confident	1 Å²	1	66.5 Å²	66.5	1%	0.005	37%	0.374	C	S	.	.	H	α-helix	trans	-61.8	-51.8	177.9	-60.8	-169.1	0	0	0	110.8	L157 Q166 V168 S169 A171 N175 T176 F177 I217 I223 W225	L157-I173 HydrophobicContact CD1-CG1 3.97Å; L157-I173 HydrophobicContact CD1-CG2 4.46Å; L157-I173 HydrophobicContact CD2-CG2 4.15Å; Q166-I173 HydrophobicContact CG-CD1 4.11Å; V168-I173 HydrophobicContact CB-CD1 4.19Å; V168-I173 HydrophobicContact CB-CG1 4.01Å; V168-I173 HydrophobicContact CG1-CD1 4.4Å; V168-I173 HydrophobicContact CG1-CG1 3.68Å; S169-I173 WeakPolarHBondContact O-CG1 3.44Å; S169-I173 PolarHBondContact O-N 3.21Å; S169-I173 VanDerWaalsContact O-N 3.08Å; A171-I173 VanDerWaalsContact C-N 3.32Å; A171-I173 PolarHBondContact O-N 3.21Å; I173-N175 VanDerWaalsContact C-N 3.32Å; I173-N175 PolarHBondContact O-N 3.49Å; I173-T176 WeakPolarHBondContact O-CB 3.41Å; I173-T176 PolarHBondContact O-N 2.84Å; I173-T176 VanDerWaalsContact O-N 3.14Å; I173-F177 HydrophobicContact CG2-CD2 4.01Å; I173-F177 HydrophobicContact CG2-CE2 3.97Å; I173-F177 PolarHBondContact O-N 3.33Å; I173-I217 HydrophobicContact CB-CD1 4.5Å; I173-I217 HydrophobicContact CG2-CD1 3.36Å; I173-I217 HydrophobicContact CG2-CG1 4.28Å; I173-I223 HydrophobicContact CB-CD1 4.38Å; I173-I223 HydrophobicContact CD1-CD1 3.89Å; I173-I223 HydrophobicContact CD1-CG1 4.5Å; I173-I223 HydrophobicContact CG1-CD1 4.49Å; I173-I223 HydrophobicContact CG2-CD1 3.12Å; I173-I223 HydrophobicContact CG2-CG1 3.83Å; I173-W225 HydrophobicContact CD1-CH2 4.19Å; I173-W225 HydrophobicContact CD1-CZ2 4.27Å
174	K	85.1	Confident	81.4	Confident	111 Å²	111	60 Å²	60	48%	0.483	34%	0.338	S	S	.	.	H	α-helix	trans	-57.3	-46.7	177.9	-174.6	-179.6	178.6	-177.1	0	111.3	K170 A171 T176 F177 S178	K170-K174 WeakPolarHBondContact O-CB 3.41Å; K170-K174 PolarHBondContact O-N 3.49Å; A171-K174 PolarHBondContact O-N 2.91Å; K174-T176 VanDerWaalsContact C-N 3.3Å; K174-T176 PolarHBondContact O-N 3.41Å; K174-F177 PolarHBondContact O-N 3.34Å; K174-S178 PolarHBondContact O-N 3.16Å; K174-S178 PolarHBondContact O-OG 3.44Å; K174-S178 VanDerWaalsContact O-OG 3.07Å
175	N	87.8	Confident	83.2	Confident	88 Å²	88	54.5 Å²	54.5	47%	0.471	31%	0.308	S	S	.	.	H	α-helix	trans	-60	-40	177.6	-175.1	32.9	0	0	0	112.2	A171 T172 I173 S178 Q179	A171-N175 VanDerWaalsContact O-CB 3.31Å; A171-N175 WeakPolarHBondContact O-CB 3.32Å; A171-N175 PolarHBondContact O-N 2.87Å; T172-N175 PolarHBondContact O-N 2.66Å; I173-N175 VanDerWaalsContact C-N 3.32Å; I173-N175 PolarHBondContact O-N 3.49Å; N175-S178 PolarHBondContact O-N 3.29Å; N175-Q179 PolarHBondContact ND2-NE2 2.82Å; N175-Q179 WeakPolarHBondContact O-CB 3.31Å; N175-Q179 WeakPolarHBondContact O-CG 3.2Å; N175-Q179 PolarHBondContact O-N 3.08Å; N175-Q179 PolarHBondContact OD1-NE2 3.35Å
176	T	88.3	Confident	84.4	Confident	20 Å²	20	52.5 Å²	52.5	12%	0.123	30%	0.297	C	S	.	.	H	α-helix	trans	-64.4	-44.2	178	-53.9	0	0	0	0	111.1	L153 L157 T172 I173 K174 Q179 A180	L153-T176 HydrophobicContact CB-CG2 3.96Å; L157-T176 HydrophobicContact CB-CG2 4.23Å; L157-T176 HydrophobicContact CD2-CG2 4.23Å; T172-T176 WeakPolarHBondContact O-CB 3.16Å; T172-T176 PolarHBondContact O-N 2.69Å; T172-T176 PolarHBondContact O-OG1 2.88Å; I173-T176 WeakPolarHBondContact O-CB 3.41Å; I173-T176 PolarHBondContact O-N 2.84Å; I173-T176 VanDerWaalsContact O-N 3.14Å; K174-T176 VanDerWaalsContact C-N 3.3Å; K174-T176 PolarHBondContact O-N 3.41Å; T176-Q179 PolarHBondContact O-N 2.92Å; T176-A180 WeakPolarHBondContact O-CB 3.32Å; T176-A180 PolarHBondContact O-N 3.35Å
177	F	88.6	Confident	85.3	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-64.7	-45.9	175.5	-80.2	-50.6	0	0	0	112.7	L154 L157 I173 K174 Q179 A180 I181 V210 L213 E214 I217 I223 L228	L154-F177 HydrophobicContact CD2-CD1 3.64Å; L154-F177 HydrophobicContact CD2-CE1 3.53Å; L157-F177 HydrophobicContact CD2-CE1 4.44Å; L157-F177 HydrophobicContact CD2-CE2 4.21Å; L157-F177 HydrophobicContact CD2-CZ 4.09Å; I173-F177 HydrophobicContact CG2-CD2 4.01Å; I173-F177 HydrophobicContact CG2-CE2 3.97Å; I173-F177 PolarHBondContact O-N 3.33Å; K174-F177 PolarHBondContact O-N 3.34Å; F177-Q179 VanDerWaalsContact C-N 3.28Å; F177-Q179 PolarHBondContact O-N 2.96Å; F177-A180 PolarHBondContact O-N 2.89Å; F177-I181 WeakPolarHBondContact O-CB 3.14Å; F177-I181 VanDerWaalsContact O-CG1 3.25Å; F177-I181 WeakPolarHBondContact O-CG1 3.38Å; F177-I181 PolarHBondContact O-N 2.6Å; F177-V210 HydrophobicContact CD1-CG1 3.71Å; F177-V210 HydrophobicContact CE1-CG1 4.26Å; F177-L213 HydrophobicContact CE1-CB 3.92Å; F177-L213 HydrophobicContact CE1-CD1 4.04Å; F177-L213 HydrophobicContact CE2-CB 4.12Å; F177-L213 HydrophobicContact CZ-CB 3.56Å; F177-L213 HydrophobicContact CZ-CD1 3.97Å; F177-L213 HydrophobicContact CZ-CG 4.38Å; F177-E214 HydrophobicContact CB-CB 4.21Å; F177-E214 HydrophobicContact CB-CG 4.05Å; F177-E214 HydrophobicContact CG-CB 4.45Å; F177-I217 HydrophobicContact CD2-CD1 3.25Å; F177-I217 HydrophobicContact CE2-CD1 3.24Å; F177-I217 HydrophobicContact CE2-CG1 4.44Å; F177-I223 HydrophobicContact CE2-CD1 3.74Å; F177-I223 HydrophobicContact CE2-CG1 4.2Å; F177-I223 HydrophobicContact CZ-CD1 4.24Å; F177-L228 HydrophobicContact CE1-CD1 4.09Å; F177-L228 HydrophobicContact CZ-CD1 4.07Å
178	S	89.7	Confident	86.1	Confident	47 Å²	47	46.7 Å²	46.7	33%	0.329	26%	0.261	S	S	.	.	H	α-helix	trans	-61.4	-37.3	178.1	-54.6	0	0	0	0	112.1	K174 N175 A182 E214	K174-S178 PolarHBondContact O-N 3.16Å; K174-S178 PolarHBondContact O-OG 3.44Å; K174-S178 VanDerWaalsContact O-OG 3.07Å; N175-S178 PolarHBondContact O-N 3.29Å; S178-A182 WeakPolarHBondContact O-CB 3.39Å; S178-A182 PolarHBondContact O-N 3.43Å; S178-E214 PolarHBondContact OG-OE1 3.25Å
179	Q	90.4	Very high	86.4	Confident	78 Å²	78	49.3 Å²	49.3	36%	0.364	28%	0.28	S	S	.	.	H	α-helix	trans	-66.4	-45.2	173.3	-75.3	176.9	51.9	0	0	112.5	L153 N175 T176 F177 A182 L183	L153-Q179 HydrophobicContact CD1-CB 3.85Å; N175-Q179 PolarHBondContact ND2-NE2 2.82Å; N175-Q179 WeakPolarHBondContact O-CB 3.31Å; N175-Q179 WeakPolarHBondContact O-CG 3.2Å; N175-Q179 PolarHBondContact O-N 3.08Å; N175-Q179 PolarHBondContact OD1-NE2 3.35Å; T176-Q179 PolarHBondContact O-N 2.92Å; F177-Q179 VanDerWaalsContact C-N 3.28Å; F177-Q179 PolarHBondContact O-N 2.96Å; Q179-A182 PolarHBondContact O-N 2.74Å; Q179-L183 WeakPolarHBondContact O-CG 3.1Å; Q179-L183 PolarHBondContact O-N 3.49Å; Q179-L183 VanDerWaalsContact O-N 3.08Å
180	A	89	Confident	85.9	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-62.1	-43.7	177.3	0	0	0	0	0	111.5	A150 L154 T176 F177 A182 L183 Y184	A150-A180 HydrophobicContact CB-CB 4.36Å; L154-A180 HydrophobicContact CD1-CB 4.27Å; L154-A180 HydrophobicContact CD2-CB 3.97Å; L154-A180 HydrophobicContact CG-CB 4Å; T176-A180 WeakPolarHBondContact O-CB 3.32Å; T176-A180 PolarHBondContact O-N 3.35Å; F177-A180 PolarHBondContact O-N 2.89Å; A180-A182 PolarHBondContact O-N 2.9Å; A180-L183 PolarHBondContact O-N 3.3Å; A180-Y184 HydrophobicContact CB-CE2 4.22Å; A180-Y184 WeakPolarHBondContact O-CD2 3.35Å; A180-Y184 PolarHBondContact O-N 3.38Å
181	I	91	Very high	85.6	Confident	16 Å²	16	42.3 Å²	42.3	8%	0.082	24%	0.243	C	C	.	.	H	α-helix	trans	-57.4	-49.7	175.1	-72.4	168.2	0	0	0	110.6	F177 L183 Y184 E185 L207 V210 R211 E214	F177-I181 WeakPolarHBondContact O-CB 3.14Å; F177-I181 VanDerWaalsContact O-CG1 3.25Å; F177-I181 WeakPolarHBondContact O-CG1 3.38Å; F177-I181 PolarHBondContact O-N 2.6Å; I181-L183 VanDerWaalsContact C-N 3.29Å; I181-L183 PolarHBondContact O-N 2.85Å; I181-Y184 PolarHBondContact O-N 2.87Å; I181-E185 HydrophobicContact CG2-CG 4.34Å; I181-E185 WeakPolarHBondContact O-CB 3.45Å; I181-E185 WeakPolarHBondContact O-CG 3.29Å; I181-E185 PolarHBondContact O-N 3.42Å; I181-L207 HydrophobicContact CB-CD1 4.36Å; I181-L207 HydrophobicContact CG1-CD1 4.4Å; I181-L207 HydrophobicContact CG2-CD1 4Å; I181-V210 HydrophobicContact CD1-CG1 4.21Å; I181-V210 HydrophobicContact CG1-CB 4.38Å; I181-V210 HydrophobicContact CG1-CG1 3.61Å; I181-R211 HydrophobicContact CD1-CG 3.98Å; I181-R211 HydrophobicContact CG1-CG 4.33Å; I181-E214 HydrophobicContact CD1-CB 4.21Å; I181-E214 HydrophobicContact CD1-CG 4.42Å
182	A	90	Very high	85.2	Confident	55 Å²	55	44.7 Å²	44.7	46%	0.455	24%	0.24	S	C	.	.	H	α-helix	trans	-60	-38.9	179.7	0	0	0	0	0	112.5	S178 Q179 A180 L186	S178-A182 WeakPolarHBondContact O-CB 3.39Å; S178-A182 PolarHBondContact O-N 3.43Å; Q179-A182 PolarHBondContact O-N 2.74Å; A180-A182 PolarHBondContact O-N 2.9Å; A182-L186 PolarHBondContact O-N 3.13Å
183	L	87.2	Confident	84.4	Confident	40 Å²	40	45.3 Å²	45.3	21%	0.209	25%	0.252	C	S	.	.	H	α-helix	trans	-68.3	-44.1	176.7	-71.1	168.2	0	0	0	112.3	T146 R149 A150 L153 Q179 A180 I181 L186 A187	T146-L183 HydrophobicContact CG2-CD2 4.31Å; R149-L183 HydrophobicContact CB-CD1 4.01Å; R149-L183 HydrophobicContact CG-CD1 3.64Å; A150-L183 HydrophobicContact CB-CB 3.89Å; A150-L183 HydrophobicContact CB-CD1 4.1Å; L153-L183 HydrophobicContact CD1-CD1 3.9Å; Q179-L183 WeakPolarHBondContact O-CG 3.1Å; Q179-L183 PolarHBondContact O-N 3.49Å; Q179-L183 VanDerWaalsContact O-N 3.08Å; A180-L183 PolarHBondContact O-N 3.3Å; I181-L183 VanDerWaalsContact C-N 3.29Å; I181-L183 PolarHBondContact O-N 2.85Å; L183-L186 PolarHBondContact O-N 2.9Å; L183-A187 WeakPolarHBondContact O-CB 3.29Å; L183-A187 PolarHBondContact O-N 3.38Å
184	Y	89.3	Confident	83.3	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-66.2	-36.1	175.1	-70.2	-53.7	0	0	0	112.4	V147 A150 N151 L154 A180 I181 L186 A187 Y188 I203 I206 V210 L235	V147-Y184 HydrophobicContact CG1-CE1 4.37Å; V147-Y184 HydrophobicContact CG2-CD1 4.45Å; A150-Y184 HydrophobicContact CB-CD1 4.08Å; A150-Y184 HydrophobicContact CB-CD2 4.09Å; A150-Y184 HydrophobicContact CB-CE1 3.62Å; A150-Y184 HydrophobicContact CB-CE2 3.64Å; A150-Y184 HydrophobicContact CB-CG 4.28Å; N151-Y184 PolarHBondContact OD1-OH 3.49Å; L154-Y184 HydrophobicContact CD1-CE2 3.94Å; A180-Y184 HydrophobicContact CB-CE2 4.22Å; A180-Y184 WeakPolarHBondContact O-CD2 3.35Å; A180-Y184 PolarHBondContact O-N 3.38Å; I181-Y184 PolarHBondContact O-N 2.87Å; Y184-L186 VanDerWaalsContact C-N 3.34Å; Y184-A187 PolarHBondContact O-N 3.48Å; Y184-Y188 VanDerWaalsContact O-CB 3.24Å; Y184-Y188 WeakPolarHBondContact O-CB 3.18Å; Y184-Y188 PolarHBondContact O-N 2.83Å; Y184-I203 HydrophobicContact CD1-CG2 4.32Å; Y184-I203 VanDerWaalsContact O-CG2 3.28Å; Y184-I203 WeakPolarHBondContact O-CG2 3.28Å; Y184-I206 HydrophobicContact CD1-CG2 3.89Å; Y184-I206 HydrophobicContact CD2-CG2 3.83Å; Y184-I206 HydrophobicContact CE1-CD1 4.34Å; Y184-I206 HydrophobicContact CE1-CG2 3.57Å; Y184-I206 HydrophobicContact CE2-CG2 3.51Å; Y184-I206 HydrophobicContact CG-CG2 4.02Å; Y184-V210 HydrophobicContact CD2-CG2 4.09Å; Y184-V210 HydrophobicContact CE2-CG2 3.74Å; Y184-L235 HydrophobicContact CE1-CD2 4.42Å; Y184-L235 WeakPolarHBondContact OH-CD1 3.16Å; Y184-L235 WeakPolarHBondContact OH-CD2 3.27Å
185	E	90.5	Very high	82.7	Confident	67 Å²	67	46.7 Å²	46.7	31%	0.313	27%	0.274	S	S	.	.	H	α-helix	trans	-64.1	-39.2	174.5	-76.7	-177.4	175.7	0	0	112.3	I181 S189 L207 R211	I181-E185 HydrophobicContact CG2-CG 4.34Å; I181-E185 WeakPolarHBondContact O-CB 3.45Å; I181-E185 WeakPolarHBondContact O-CG 3.29Å; I181-E185 PolarHBondContact O-N 3.42Å; E185-S189 WeakPolarHBondContact O-CB 3.45Å; E185-S189 PolarHBondContact O-N 2.81Å; E185-S189 PolarHBondContact O-OG 3.18Å; E185-L207 HydrophobicContact CG-CD1 4Å; E185-L207 HydrophobicContact CG-CD2 3.94Å; E185-R211 IonicContact OE1-CZ 3.14Å; E185-R211 IonicContact OE1-NH2 3.65Å; E185-R211 PolarHBondContact OE1-NH2 3.34Å
186	L	83.1	Confident	81.8	Confident	82 Å²	82	44.8 Å²	44.8	43%	0.429	26%	0.263	S	S	.	.	H	α-helix	trans	-62.8	-52.1	172.7	178.8	59.7	0	0	0	110.4	T146 A182 L183 Y184 Y188 S189 T190	T146-L186 HydrophobicContact CG2-CD2 3.83Å; T146-L186 HydrophobicContact CG2-CG 4.36Å; A182-L186 PolarHBondContact O-N 3.13Å; L183-L186 PolarHBondContact O-N 2.9Å; Y184-L186 VanDerWaalsContact C-N 3.34Å; L186-Y188 VanDerWaalsContact C-N 3.33Å; L186-Y188 PolarHBondContact O-N 3.46Å; L186-S189 PolarHBondContact O-N 3.11Å; L186-T190 PolarHBondContact O-N 3.29Å; L186-T190 PolarHBondContact O-OG1 2.92Å; L186-T190 VanDerWaalsContact O-OG1 3.08Å
187	A	81.7	Confident	81.1	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-57.2	-44.2	178.8	0	0	0	0	0	112.3	I143 T146 V147 L183 Y184 T190 A191 I203	I143-A187 HydrophobicContact CG2-CB 4.43Å; T146-A187 WeakPolarHBondContact OG1-CB 3.49Å; V147-A187 HydrophobicContact CG2-CB 3.91Å; L183-A187 WeakPolarHBondContact O-CB 3.29Å; L183-A187 PolarHBondContact O-N 3.38Å; Y184-A187 PolarHBondContact O-N 3.48Å; A187-T190 PolarHBondContact O-N 2.89Å; A187-A191 WeakPolarHBondContact O-CB 3.3Å; A187-A191 PolarHBondContact O-N 2.88Å; A187-I203 HydrophobicContact CB-CD1 3.76Å; A187-I203 HydrophobicContact CB-CG2 4.45Å
188	Y	85.5	Confident	80.5	Confident	52 Å²	52	50.6 Å²	50.6	20%	0.204	30%	0.298	C	S	.	.	H	α-helix	trans	-62.1	-44.8	177.1	179.4	-108.5	0	0	0	112.3	Y184 L186 A191 K192 A200 I203 N204	Y184-Y188 VanDerWaalsContact O-CB 3.24Å; Y184-Y188 WeakPolarHBondContact O-CB 3.18Å; Y184-Y188 PolarHBondContact O-N 2.83Å; L186-Y188 VanDerWaalsContact C-N 3.33Å; L186-Y188 PolarHBondContact O-N 3.46Å; Y188-A191 PolarHBondContact O-N 3.22Å; Y188-K192 HydrophobicContact CD1-CD 4.21Å; Y188-K192 HydrophobicContact CE1-CD 3.68Å; Y188-K192 VanDerWaalsContact CE1-NZ 3.34Å; Y188-K192 HydrophobicContact CE2-CD 4.44Å; Y188-K192 VanDerWaalsContact CZ-NZ 3.28Å; Y188-K192 PolarHBondContact O-N 3.41Å; Y188-K192 WeakPolarHBondContact OH-CE 2.98Å; Y188-K192 PolarHBondContact OH-NZ 2.91Å; Y188-A200 HydrophobicContact CD2-CB 4.11Å; Y188-A200 WeakPolarHBondContact CD2-O 3.36Å; Y188-A200 HydrophobicContact CE2-CB 4.03Å; Y188-A200 WeakPolarHBondContact CE2-O 3.42Å; Y188-I203 HydrophobicContact CD2-CB 4.47Å; Y188-N204 HydrophobicContact CD2-CB 4.23Å; Y188-N204 HydrophobicContact CE2-CB 3.75Å
189	S	81.6	Confident	79.8	Confident	70 Å²	70	49.6 Å²	49.6	49%	0.49	29%	0.29	S	S	.	.	H	α-helix	trans	-65.8	-41.6	179.4	-58.1	0	0	0	0	111.1	E185 L186 K192 A193	E185-S189 WeakPolarHBondContact O-CB 3.45Å; E185-S189 PolarHBondContact O-N 2.81Å; E185-S189 PolarHBondContact O-OG 3.18Å; L186-S189 PolarHBondContact O-N 3.11Å; S189-K192 PolarHBondContact O-N 2.93Å; S189-A193 PolarHBondContact O-N 3.43Å
190	T	72	Confident	79.4	Confident	20 Å²	20	46.3 Å²	46.3	12%	0.123	28%	0.276	C	S	.	.	H	α-helix	trans	-63	-47.4	174.4	-58.8	0	0	0	0	111.2	A139 L142 I143 L186 A187 K192 A193 V194	A139-T190 HydrophobicContact CB-CG2 3.69Å; L142-T190 HydrophobicContact CD2-CG2 4.23Å; I143-T190 HydrophobicContact CD1-CG2 4.01Å; I143-T190 HydrophobicContact CG1-CG2 3.82Å; L186-T190 PolarHBondContact O-N 3.29Å; L186-T190 PolarHBondContact O-OG1 2.92Å; L186-T190 VanDerWaalsContact O-OG1 3.08Å; A187-T190 PolarHBondContact O-N 2.89Å; T190-K192 VanDerWaalsContact C-N 3.29Å; T190-K192 PolarHBondContact O-N 3.44Å; T190-A193 WeakPolarHBondContact O-CB 3.05Å; T190-A193 PolarHBondContact O-N 2.74Å; T190-V194 VanDerWaalsContact O-CG2 3.31Å; T190-V194 WeakPolarHBondContact O-CG2 3.33Å; T190-V194 PolarHBondContact O-N 2.93Å
191	A	72.6	Confident	79.1	Confident	0 Å²	0	54 Å²	54	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-58.8	-39.4	178.4	0	0	0	0	0	112.4	I143 A187 Y188 S195 L196 V199 A200 I203	I143-A191 HydrophobicContact CD1-CB 3.85Å; A187-A191 WeakPolarHBondContact O-CB 3.3Å; A187-A191 PolarHBondContact O-N 2.88Å; Y188-A191 PolarHBondContact O-N 3.22Å; A191-S195 PolarHBondContact O-N 3.03Å; A191-L196 HydrophobicContact CB-CB 4.4Å; A191-L196 PolarHBondContact O-N 3.46Å; A191-V199 HydrophobicContact CB-CB 4.26Å; A191-V199 HydrophobicContact CB-CG1 3.92Å; A191-A200 HydrophobicContact CB-CB 4.02Å; A191-I203 HydrophobicContact CB-CD1 4.43Å
192	K	76.3	Confident	78.6	Confident	122 Å²	122	53.9 Å²	53.9	53%	0.53	31%	0.305	S	S	.	.	H	α-helix	trans	-64.6	-43.5	172.7	-80.5	-177.6	156.8	179.9	0	112.7	Y188 S189 T190 V194 S195 A200	Y188-K192 HydrophobicContact CD1-CD 4.21Å; Y188-K192 HydrophobicContact CE1-CD 3.68Å; Y188-K192 VanDerWaalsContact CE1-NZ 3.34Å; Y188-K192 HydrophobicContact CE2-CD 4.44Å; Y188-K192 VanDerWaalsContact CZ-NZ 3.28Å; Y188-K192 PolarHBondContact O-N 3.41Å; Y188-K192 WeakPolarHBondContact OH-CE 2.98Å; Y188-K192 PolarHBondContact OH-NZ 2.91Å; S189-K192 PolarHBondContact O-N 2.93Å; T190-K192 VanDerWaalsContact C-N 3.29Å; T190-K192 PolarHBondContact O-N 3.44Å; K192-V194 VanDerWaalsContact C-N 3.3Å; K192-V194 PolarHBondContact O-N 3.29Å; K192-S195 PolarHBondContact O-N 2.91Å; K192-A200 HydrophobicContact CG-CB 4.22Å
193	A	68.1	Low	78.4	Confident	83 Å²	83	51.2 Å²	51.2	69%	0.686	28%	0.284	S	S	*	.	H	α-helix	trans	-64	-34.7	-178.9	0	0	0	0	0	112.6	S189 T190	S189-A193 PolarHBondContact O-N 3.43Å; T190-A193 WeakPolarHBondContact O-CB 3.05Å; T190-A193 PolarHBondContact O-N 2.74Å
194	V	62.5	Low	78.5	Confident	43 Å²	43	51.4 Å²	51.4	26%	0.261	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	14.6	177.2	-63.8	0	0	0	0	114.5	A139 I143 T190 K192 L196	A139-V194 HydrophobicContact CB-CB 4.14Å; A139-V194 HydrophobicContact CB-CG1 3.32Å; A139-V194 HydrophobicContact CB-CG2 3.85Å; I143-V194 HydrophobicContact CD1-CG2 4.38Å; T190-V194 VanDerWaalsContact O-CG2 3.31Å; T190-V194 WeakPolarHBondContact O-CG2 3.33Å; T190-V194 PolarHBondContact O-N 2.93Å; K192-V194 VanDerWaalsContact C-N 3.3Å; K192-V194 PolarHBondContact O-N 3.29Å; V194-L196 HydrophobicContact CG2-CD1 3.6Å; V194-L196 HydrophobicContact CG2-CG 3.78Å; V194-L196 PolarHBondContact O-N 3.37Å
195	S	71.7	Confident	78.3	Confident	97 Å²	97	53.4 Å²	53.4	68%	0.678	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	47.8	176.9	-54.3	0	0	0	0	114.1	A191 K192 P197	A191-S195 PolarHBondContact O-N 3.03Å; K192-S195 PolarHBondContact O-N 2.91Å; S195-P197 VanDerWaalsContact C-CD 3.41Å; S195-P197 WeakPolarHBondContact O-CD 3.06Å
196	L	69.2	Low	78.2	Confident	48 Å²	48	50.2 Å²	50.2	25%	0.251	28%	0.282	S	S	.	.			trans	-103.5	78.4	171.8	-63.5	174.9	0	0	0	110.1	V140 I143 A191 V194 I198 V199 A200	V140-L196 HydrophobicContact CG2-CD1 3.87Å; I143-L196 HydrophobicContact CD1-CD1 3.9Å; A191-L196 HydrophobicContact CB-CB 4.4Å; A191-L196 PolarHBondContact O-N 3.46Å; V194-L196 HydrophobicContact CG2-CD1 3.6Å; V194-L196 HydrophobicContact CG2-CG 3.78Å; V194-L196 PolarHBondContact O-N 3.37Å; L196-I198 PolarHBondContact O-N 3.34Å; L196-V199 HydrophobicContact CB-CB 3.95Å; L196-V199 HydrophobicContact CB-CG2 4.01Å; L196-V199 HydrophobicContact CD1-CG2 4.47Å; L196-V199 PolarHBondContact O-N 3.04Å; L196-A200 WeakPolarHBondContact O-CB 3.45Å; L196-A200 PolarHBondContact O-N 3.47Å
197	P	73.4	Confident	78.5	Confident	94 Å²	94	46.5 Å²	46.5	61%	0.61	26%	0.263	S	S	*	.	H	α-helix	trans	-65.5	-35.5	-169.2	25.4	-35.7	0	0	0	113.7	S195 A200 R201	S195-P197 VanDerWaalsContact C-CD 3.41Å; S195-P197 WeakPolarHBondContact O-CD 3.06Å; P197-A200 PolarHBondContact O-N 3.24Å; P197-R201 WeakPolarHBondContact O-CB 3.29Å; P197-R201 PolarHBondContact O-N 2.95Å
198	I	75.2	Confident	78.9	Confident	49 Å²	49	50.8 Å²	50.8	25%	0.251	28%	0.283	S	S	.	.	H	α-helix	trans	-62.1	-52.2	177.4	-51.2	-178.2	0	0	0	109.7	L196 A200 R201 C202 E246 V248	L196-I198 PolarHBondContact O-N 3.34Å; I198-A200 VanDerWaalsContact C-N 3.31Å; I198-A200 PolarHBondContact O-N 2.96Å; I198-R201 PolarHBondContact O-N 3.43Å; I198-R201 VanDerWaalsContact O-N 3.09Å; I198-C202 PolarHBondContact O-N 3.19Å; I198-C202 PolarHBondContact O-SG 2.8Å; I198-E246 VanDerWaalsContact CD1-O 3.23Å; I198-E246 WeakPolarHBondContact CD1-O 3.39Å; I198-V248 HydrophobicContact CD1-CB 4.45Å; I198-V248 HydrophobicContact CD1-CG2 3.26Å; I198-V248 HydrophobicContact CG1-CG2 3.25Å
199	V	76.4	Confident	78.9	Confident	25 Å²	25	50.2 Å²	50.2	15%	0.152	28%	0.283	C	S	.	.	H	α-helix	trans	-59	-46.5	-179.1	178.9	0	0	0	0	109.9	I143 A191 L196 R201 C202 I203 F242	I143-V199 HydrophobicContact CD1-CG1 4.41Å; I143-V199 HydrophobicContact CG2-CG1 3.73Å; A191-V199 HydrophobicContact CB-CB 4.26Å; A191-V199 HydrophobicContact CB-CG1 3.92Å; L196-V199 HydrophobicContact CB-CB 3.95Å; L196-V199 HydrophobicContact CB-CG2 4.01Å; L196-V199 HydrophobicContact CD1-CG2 4.47Å; L196-V199 PolarHBondContact O-N 3.04Å; V199-R201 PolarHBondContact O-N 2.48Å; V199-C202 PolarHBondContact O-N 3.45Å; V199-I203 HydrophobicContact CG1-CD1 3.67Å; V199-I203 HydrophobicContact CG1-CG1 4.45Å; V199-I203 WeakPolarHBondContact O-CD1 3.18Å; V199-I203 VanDerWaalsContact O-CG1 3.23Å; V199-I203 WeakPolarHBondContact O-CG1 3.33Å; V199-I203 PolarHBondContact O-N 2.62Å; V199-F242 HydrophobicContact CB-CD1 4.29Å; V199-F242 HydrophobicContact CB-CE1 4.26Å; V199-F242 HydrophobicContact CG1-CD1 3.89Å; V199-F242 HydrophobicContact CG1-CE1 3.79Å; V199-F242 HydrophobicContact CG2-CD1 4.13Å
200	A	81.9	Confident	79.2	Confident	9 Å²	9	46.9 Å²	46.9	7%	0.074	26%	0.26	C	S	.	.	H	α-helix	trans	-59.9	-43	175.9	0	0	0	0	0	112.4	Y188 A191 K192 L196 P197 I198 N204	Y188-A200 HydrophobicContact CD2-CB 4.11Å; Y188-A200 WeakPolarHBondContact CD2-O 3.36Å; Y188-A200 HydrophobicContact CE2-CB 4.03Å; Y188-A200 WeakPolarHBondContact CE2-O 3.42Å; A191-A200 HydrophobicContact CB-CB 4.02Å; K192-A200 HydrophobicContact CG-CB 4.22Å; L196-A200 WeakPolarHBondContact O-CB 3.45Å; L196-A200 PolarHBondContact O-N 3.47Å; P197-A200 PolarHBondContact O-N 3.24Å; I198-A200 VanDerWaalsContact C-N 3.31Å; I198-A200 PolarHBondContact O-N 2.96Å; A200-N204 WeakPolarHBondContact O-CB 3.33Å; A200-N204 PolarHBondContact O-N 3.01Å
201	R	81.3	Confident	80	Confident	163 Å²	163	50.4 Å²	50.4	62%	0.615	27%	0.271	S	S	*	.	H	α-helix	trans	-63.7	-47	178.1	-174.9	177.7	178.7	-178	-2.4	111.6	P197 I198 V199 N204 V205	P197-R201 WeakPolarHBondContact O-CB 3.29Å; P197-R201 PolarHBondContact O-N 2.95Å; I198-R201 PolarHBondContact O-N 3.43Å; I198-R201 VanDerWaalsContact O-N 3.09Å; V199-R201 PolarHBondContact O-N 2.48Å; R201-N204 PolarHBondContact O-N 2.77Å; R201-V205 WeakPolarHBondContact O-CG2 3.46Å; R201-V205 PolarHBondContact O-N 3.27Å; R201-V205 VanDerWaalsContact O-N 3.12Å
202	C	82.1	Confident	80.8	Confident	12 Å²	12	56.3 Å²	56.3	8%	0.081	30%	0.297	C	S	.	.	H	α-helix	trans	-60.3	-47.7	177.2	-70.4	0	0	0	0	111.5	I198 V199 N204 V205 I206 M238 F242	I198-C202 PolarHBondContact O-N 3.19Å; I198-C202 PolarHBondContact O-SG 2.8Å; V199-C202 PolarHBondContact O-N 3.45Å; C202-N204 VanDerWaalsContact C-N 3.28Å; C202-N204 PolarHBondContact O-N 2.86Å; C202-V205 PolarHBondContact O-N 3.38Å; C202-I206 WeakPolarHBondContact O-CG1 3.02Å; C202-I206 PolarHBondContact O-N 3.08Å; C202-I206 VanDerWaalsContact O-N 3.07Å; C202-M238 HydrophobicContact CB-SD 4.06Å; C202-F242 HydrophobicContact CB-CE1 3.63Å; C202-F242 HydrophobicContact CB-CZ 3.72Å
203	I	85.4	Confident	81.1	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-61.8	-36.8	177.5	-63	164.5	0	0	0	111.4	I143 V147 Y184 A187 Y188 A191 V199 I206 L207 F242	I143-I203 HydrophobicContact CG2-CD1 3.99Å; V147-I203 HydrophobicContact CG2-CD1 4.27Å; V147-I203 HydrophobicContact CG2-CG1 4.3Å; Y184-I203 HydrophobicContact CD1-CG2 4.32Å; Y184-I203 VanDerWaalsContact O-CG2 3.28Å; Y184-I203 WeakPolarHBondContact O-CG2 3.28Å; A187-I203 HydrophobicContact CB-CD1 3.76Å; A187-I203 HydrophobicContact CB-CG2 4.45Å; Y188-I203 HydrophobicContact CD2-CB 4.47Å; A191-I203 HydrophobicContact CB-CD1 4.43Å; V199-I203 HydrophobicContact CG1-CD1 3.67Å; V199-I203 HydrophobicContact CG1-CG1 4.45Å; V199-I203 WeakPolarHBondContact O-CD1 3.18Å; V199-I203 VanDerWaalsContact O-CG1 3.23Å; V199-I203 WeakPolarHBondContact O-CG1 3.33Å; V199-I203 PolarHBondContact O-N 2.62Å; I203-I206 WeakPolarHBondContact O-CB 3.24Å; I203-I206 PolarHBondContact O-N 2.79Å; I203-L207 VanDerWaalsContact O-CB 3.27Å; I203-L207 WeakPolarHBondContact O-CB 3.36Å; I203-L207 PolarHBondContact O-N 3.4Å; I203-F242 HydrophobicContact CG1-CE1 4.06Å; I203-F242 HydrophobicContact CG1-CZ 3.8Å
204	N	88.1	Confident	82	Confident	44 Å²	44	48.1 Å²	48.1	24%	0.235	25%	0.246	C	C	.	.	H	α-helix	trans	-63.3	-43.9	176.8	-169.2	71	0	0	0	112.3	Y188 A200 R201 C202 I206 L207 E208	Y188-N204 HydrophobicContact CD2-CB 4.23Å; Y188-N204 HydrophobicContact CE2-CB 3.75Å; A200-N204 WeakPolarHBondContact O-CB 3.33Å; A200-N204 PolarHBondContact O-N 3.01Å; R201-N204 PolarHBondContact O-N 2.77Å; C202-N204 VanDerWaalsContact C-N 3.28Å; C202-N204 PolarHBondContact O-N 2.86Å; N204-I206 VanDerWaalsContact C-N 3.3Å; N204-I206 PolarHBondContact O-N 3.16Å; N204-L207 PolarHBondContact O-N 3.42Å; N204-E208 PolarHBondContact ND2-OE1 3.4Å; N204-E208 WeakPolarHBondContact O-CG 3.14Å; N204-E208 PolarHBondContact O-N 2.93Å
205	V	86.3	Confident	83.1	Confident	42 Å²	42	49.2 Å²	49.2	26%	0.255	25%	0.251	S	S	.	.	H	α-helix	trans	-61.2	-41.7	176.5	173.4	0	0	0	0	110.8	R201 C202 N209	R201-V205 WeakPolarHBondContact O-CG2 3.46Å; R201-V205 PolarHBondContact O-N 3.27Å; R201-V205 VanDerWaalsContact O-N 3.12Å; C202-V205 PolarHBondContact O-N 3.38Å; V205-N209 PolarHBondContact O-N 3.36Å; V205-N209 PolarHBondContact O-ND2 3.22Å
206	I	87	Confident	83.5	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-58.5	-54	173.7	-67.2	168.7	0	0	0	110.5	Y184 C202 I203 N204 E208 N209 V210 L235 M238 F242	Y184-I206 HydrophobicContact CD1-CG2 3.89Å; Y184-I206 HydrophobicContact CD2-CG2 3.83Å; Y184-I206 HydrophobicContact CE1-CD1 4.34Å; Y184-I206 HydrophobicContact CE1-CG2 3.57Å; Y184-I206 HydrophobicContact CE2-CG2 3.51Å; Y184-I206 HydrophobicContact CG-CG2 4.02Å; C202-I206 WeakPolarHBondContact O-CG1 3.02Å; C202-I206 PolarHBondContact O-N 3.08Å; C202-I206 VanDerWaalsContact O-N 3.07Å; I203-I206 WeakPolarHBondContact O-CB 3.24Å; I203-I206 PolarHBondContact O-N 2.79Å; N204-I206 VanDerWaalsContact C-N 3.3Å; N204-I206 PolarHBondContact O-N 3.16Å; I206-E208 VanDerWaalsContact C-N 3.27Å; I206-E208 PolarHBondContact O-N 2.96Å; I206-N209 PolarHBondContact O-N 2.98Å; I206-V210 HydrophobicContact CG2-CG2 3.96Å; I206-V210 VanDerWaalsContact O-CG2 3.25Å; I206-V210 WeakPolarHBondContact O-CG2 3.41Å; I206-V210 PolarHBondContact O-N 3.44Å; I206-L235 HydrophobicContact CB-CD2 4.11Å; I206-L235 HydrophobicContact CD1-CD2 3.48Å; I206-L235 VanDerWaalsContact CD1-CD2 3.48Å; I206-L235 HydrophobicContact CG1-CD2 3.54Å; I206-L235 HydrophobicContact CG2-CD2 3.45Å; I206-L235 VanDerWaalsContact CG2-CD2 3.45Å; I206-M238 HydrophobicContact CB-CE 4.5Å; I206-M238 HydrophobicContact CD1-CE 3.48Å; I206-M238 VanDerWaalsContact CD1-CE 3.48Å; I206-M238 HydrophobicContact CD1-SD 4.02Å; I206-M238 HydrophobicContact CG1-CE 3.08Å; I206-M238 HydrophobicContact CG1-SD 3.84Å; I206-F242 HydrophobicContact CD1-CE2 4.28Å; I206-F242 HydrophobicContact CD1-CZ 4.19Å
207	L	89.7	Confident	83.9	Confident	4 Å²	4	45.6 Å²	45.6	2%	0.021	22%	0.222	C	C	.	.	H	α-helix	trans	-58.4	-41.2	-174.9	-177.3	66.4	0	0	0	111.5	I181 E185 I203 N204 V210 R211	I181-L207 HydrophobicContact CB-CD1 4.36Å; I181-L207 HydrophobicContact CG1-CD1 4.4Å; I181-L207 HydrophobicContact CG2-CD1 4Å; E185-L207 HydrophobicContact CG-CD1 4Å; E185-L207 HydrophobicContact CG-CD2 3.94Å; I203-L207 VanDerWaalsContact O-CB 3.27Å; I203-L207 WeakPolarHBondContact O-CB 3.36Å; I203-L207 PolarHBondContact O-N 3.4Å; N204-L207 PolarHBondContact O-N 3.42Å; L207-V210 PolarHBondContact O-N 2.73Å; L207-R211 WeakPolarHBondContact O-CB 3.46Å; L207-R211 VanDerWaalsContact O-CG 3.27Å; L207-R211 WeakPolarHBondContact O-CG 3.29Å; L207-R211 PolarHBondContact O-N 3.19Å
208	E	89.9	Confident	83.9	Confident	90 Å²	90	46.4 Å²	46.4	42%	0.421	22%	0.216	S	C	.	.	H	α-helix	trans	-61.6	-44	174.9	-75.1	175	-171.6	0	0	112.2	N204 I206 R211 K212	N204-E208 PolarHBondContact ND2-OE1 3.4Å; N204-E208 WeakPolarHBondContact O-CG 3.14Å; N204-E208 PolarHBondContact O-N 2.93Å; I206-E208 VanDerWaalsContact C-N 3.27Å; I206-E208 PolarHBondContact O-N 2.96Å; E208-R211 PolarHBondContact O-N 3.17Å; E208-K212 WeakPolarHBondContact O-CG 3.44Å; E208-K212 PolarHBondContact O-N 3.19Å
209	N	86.7	Confident	83.8	Confident	39 Å²	39	52.3 Å²	52.3	21%	0.209	24%	0.242	C	C	.	.	H	α-helix	trans	-68.2	-39.5	177.9	-73.3	-56.9	0	0	0	112.5	V205 I206 R211 K212 L213 L231	V205-N209 PolarHBondContact O-N 3.36Å; V205-N209 PolarHBondContact O-ND2 3.22Å; I206-N209 PolarHBondContact O-N 2.98Å; N209-R211 VanDerWaalsContact C-N 3.34Å; N209-K212 PolarHBondContact O-N 2.85Å; N209-L213 WeakPolarHBondContact O-CG 3.29Å; N209-L213 PolarHBondContact O-N 3.33Å; N209-L213 VanDerWaalsContact O-N 3.09Å; N209-L231 HydrophobicContact CB-CD1 3.66Å
210	V	87.2	Confident	83.1	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-63	-42.5	175.5	-178.6	0	0	0	0	110.7	L154 F177 I181 Y184 I206 L207 L213 E214 L231	L154-V210 HydrophobicContact CD1-CG2 3.91Å; F177-V210 HydrophobicContact CD1-CG1 3.71Å; F177-V210 HydrophobicContact CE1-CG1 4.26Å; I181-V210 HydrophobicContact CD1-CG1 4.21Å; I181-V210 HydrophobicContact CG1-CB 4.38Å; I181-V210 HydrophobicContact CG1-CG1 3.61Å; Y184-V210 HydrophobicContact CD2-CG2 4.09Å; Y184-V210 HydrophobicContact CE2-CG2 3.74Å; I206-V210 HydrophobicContact CG2-CG2 3.96Å; I206-V210 VanDerWaalsContact O-CG2 3.25Å; I206-V210 WeakPolarHBondContact O-CG2 3.41Å; I206-V210 PolarHBondContact O-N 3.44Å; L207-V210 PolarHBondContact O-N 2.73Å; V210-L213 PolarHBondContact O-N 2.84Å; V210-E214 PolarHBondContact O-N 2.99Å; V210-L231 HydrophobicContact CB-CD2 4.46Å; V210-L231 HydrophobicContact CG2-CD2 3.67Å
211	R	90	Very high	82.2	Confident	95 Å²	95	63 Å²	63	36%	0.358	29%	0.291	S	S	.	.	H	α-helix	trans	-63.8	-43	176.4	-76	172.5	175.8	170.1	-1.7	112	I181 E185 L207 E208 N209 L213 E214 D215	I181-R211 HydrophobicContact CD1-CG 3.98Å; I181-R211 HydrophobicContact CG1-CG 4.33Å; E185-R211 IonicContact OE1-CZ 3.14Å; E185-R211 IonicContact OE1-NH2 3.65Å; E185-R211 PolarHBondContact OE1-NH2 3.34Å; L207-R211 WeakPolarHBondContact O-CB 3.46Å; L207-R211 VanDerWaalsContact O-CG 3.27Å; L207-R211 WeakPolarHBondContact O-CG 3.29Å; L207-R211 PolarHBondContact O-N 3.19Å; E208-R211 PolarHBondContact O-N 3.17Å; N209-R211 VanDerWaalsContact C-N 3.34Å; R211-L213 VanDerWaalsContact C-N 3.29Å; R211-L213 PolarHBondContact O-N 3.42Å; R211-E214 WeakPolarHBondContact O-CB 3.3Å; R211-E214 PolarHBondContact O-N 3.12Å; R211-E214 VanDerWaalsContact O-N 3.08Å; R211-D215 PolarHBondContact O-N 2.81Å
212	K	87.5	Confident	81.4	Confident	124 Å²	124	56.4 Å²	56.4	54%	0.539	27%	0.274	S	S	.	.	H	α-helix	trans	-56.2	-43	173.3	-74.3	176.1	-177.8	-178.9	0	111.8	E208 N209 D215 Q216	E208-K212 WeakPolarHBondContact O-CG 3.44Å; E208-K212 PolarHBondContact O-N 3.19Å; N209-K212 PolarHBondContact O-N 2.85Å; K212-D215 PolarHBondContact O-N 3.2Å; K212-Q216 WeakPolarHBondContact O-CG 3.41Å; K212-Q216 PolarHBondContact O-N 3.36Å
213	L	84.5	Confident	80.9	Confident	7 Å²	7	56.3 Å²	56.3	4%	0.037	27%	0.273	C	S	.	.	H	α-helix	trans	-66.8	-37.4	175	-69.1	176.3	0	0	0	112.9	F177 N209 V210 R211 D215 Q216 I217 I223 D227 L228 L231	F177-L213 HydrophobicContact CE1-CB 3.92Å; F177-L213 HydrophobicContact CE1-CD1 4.04Å; F177-L213 HydrophobicContact CE2-CB 4.12Å; F177-L213 HydrophobicContact CZ-CB 3.56Å; F177-L213 HydrophobicContact CZ-CD1 3.97Å; F177-L213 HydrophobicContact CZ-CG 4.38Å; N209-L213 WeakPolarHBondContact O-CG 3.29Å; N209-L213 PolarHBondContact O-N 3.33Å; N209-L213 VanDerWaalsContact O-N 3.09Å; V210-L213 PolarHBondContact O-N 2.84Å; R211-L213 VanDerWaalsContact C-N 3.29Å; R211-L213 PolarHBondContact O-N 3.42Å; L213-D215 VanDerWaalsContact C-N 3.33Å; L213-Q216 PolarHBondContact O-N 3.36Å; L213-I217 PolarHBondContact O-N 2.81Å; L213-I223 HydrophobicContact CD2-CG2 4.28Å; L213-D227 HydrophobicContact CD2-CB 3.51Å; L213-L228 HydrophobicContact CD1-CB 4.26Å; L213-L228 HydrophobicContact CD1-CD1 3.97Å; L213-L231 HydrophobicContact CD1-CB 4.23Å; L213-L231 HydrophobicContact CD1-CD2 3.45Å; L213-L231 VanDerWaalsContact CD1-CD2 3.45Å; L213-L231 HydrophobicContact CD1-CG 4.49Å
214	E	86	Confident	80.6	Confident	25 Å²	25	59.6 Å²	59.6	12%	0.117	29%	0.29	C	S	.	.	H	α-helix	trans	-63.4	-41.6	174.3	-164.7	-165.5	-133.6	0	0	111.1	F177 S178 I181 V210 R211 I217 K218	F177-E214 HydrophobicContact CB-CB 4.21Å; F177-E214 HydrophobicContact CB-CG 4.05Å; F177-E214 HydrophobicContact CG-CB 4.45Å; S178-E214 PolarHBondContact OG-OE1 3.25Å; I181-E214 HydrophobicContact CD1-CB 4.21Å; I181-E214 HydrophobicContact CD1-CG 4.42Å; V210-E214 PolarHBondContact O-N 2.99Å; R211-E214 WeakPolarHBondContact O-CB 3.3Å; R211-E214 PolarHBondContact O-N 3.12Å; R211-E214 VanDerWaalsContact O-N 3.08Å; E214-I217 WeakPolarHBondContact O-CB 3.49Å; E214-I217 PolarHBondContact O-N 2.77Å; E214-I217 VanDerWaalsContact O-N 3.16Å; E214-K218 PolarHBondContact O-N 3.35Å; E214-K218 IonicContact OE2-NZ 2.76Å; E214-K218 PolarHBondContact OE2-NZ 3.25Å
215	D	85.6	Confident	80	Confident	67 Å²	67	59.5 Å²	59.5	36%	0.358	29%	0.287	S	S	.	.	H	α-helix	trans	-67.7	-37.1	178.3	-67.9	-25.1	0	0	0	111.9	R211 K212 L213 I217 K218 E219	R211-D215 PolarHBondContact O-N 2.81Å; K212-D215 PolarHBondContact O-N 3.2Å; L213-D215 VanDerWaalsContact C-N 3.33Å; D215-I217 PolarHBondContact O-N 3.39Å; D215-K218 WeakPolarHBondContact O-CA 3.37Å; D215-K218 WeakPolarHBondContact O-CB 3.12Å; D215-K218 PolarHBondContact O-N 2.97Å; D215-K218 IonicContact OD1-NZ 3.88Å; D215-K218 PolarHBondContact OD1-NZ 3.47Å; D215-E219 PolarHBondContact O-N 3.22Å
216	Q	80.9	Confident	79.7	Confident	59 Å²	59	62.9 Å²	62.9	28%	0.276	30%	0.301	S	S	.	.	H	α-helix	trans	-55	-35.8	170.4	-75.3	-179.7	-8.4	0	0	112.1	K212 L213 S220 D227	K212-Q216 WeakPolarHBondContact O-CG 3.41Å; K212-Q216 PolarHBondContact O-N 3.36Å; L213-Q216 PolarHBondContact O-N 3.36Å; Q216-S220 WeakPolarHBondContact O-CA 2.86Å; Q216-S220 VanDerWaalsContact O-CB 3.29Å; Q216-S220 WeakPolarHBondContact O-CB 3.19Å; Q216-S220 PolarHBondContact O-N 2.71Å; Q216-S220 PolarHBondContact O-OG 3.1Å; Q216-D227 PolarHBondContact NE2-OD2 2.84Å; Q216-D227 VanDerWaalsContact NE2-OD2 3.09Å
217	I	77.5	Confident	79.4	Confident	9 Å²	9	65 Å²	65	5%	0.046	31%	0.312	C	S	.	.	H	α-helix	trans	-73.1	-31.6	176.4	-66	156.6	0	0	0	112.2	K170 I173 F177 L213 E214 D215 I223	K170-I217 HydrophobicContact CD-CG2 4.24Å; K170-I217 WeakPolarHBondContact CE-O 3.47Å; K170-I217 HydrophobicContact CG-CG2 3.84Å; K170-I217 PolarHBondContact NZ-O 3.37Å; I173-I217 HydrophobicContact CB-CD1 4.5Å; I173-I217 HydrophobicContact CG2-CD1 3.36Å; I173-I217 HydrophobicContact CG2-CG1 4.28Å; F177-I217 HydrophobicContact CD2-CD1 3.25Å; F177-I217 HydrophobicContact CE2-CD1 3.24Å; F177-I217 HydrophobicContact CE2-CG1 4.44Å; L213-I217 PolarHBondContact O-N 2.81Å; E214-I217 WeakPolarHBondContact O-CB 3.49Å; E214-I217 PolarHBondContact O-N 2.77Å; E214-I217 VanDerWaalsContact O-N 3.16Å; D215-I217 PolarHBondContact O-N 3.39Å; I217-I223 HydrophobicContact CD1-CD1 3.99Å; I217-I223 HydrophobicContact CD1-CG1 3.54Å; I217-I223 HydrophobicContact CG1-CB 4.5Å; I217-I223 HydrophobicContact CG1-CD1 4.32Å; I217-I223 HydrophobicContact CG1-CG1 3.35Å
218	K	73	Confident	79.1	Confident	112 Å²	112	64.8 Å²	64.8	49%	0.487	31%	0.311	S	S	.	.	H	α-helix	trans	-66.2	-44.7	176.2	-65.6	172.5	-166.9	150.1	0	109.4	E214 D215	E214-K218 PolarHBondContact O-N 3.35Å; E214-K218 IonicContact OE2-NZ 2.76Å; E214-K218 PolarHBondContact OE2-NZ 3.25Å; D215-K218 WeakPolarHBondContact O-CA 3.37Å; D215-K218 WeakPolarHBondContact O-CB 3.12Å; D215-K218 PolarHBondContact O-N 2.97Å; D215-K218 IonicContact OD1-NZ 3.88Å; D215-K218 PolarHBondContact OD1-NZ 3.47Å
219	E	72	Confident	78.7	Confident	172 Å²	172	64.7 Å²	64.7	80%	0.804	31%	0.309	S	S	*	.	H	α-helix	trans	-84.5	-33.8	-173.7	-65	-179.9	176	0	0	114.3	D215	D215-E219 PolarHBondContact O-N 3.22Å
220	S	63.4	Low	78.6	Confident	51 Å²	51	69.3 Å²	69.3	36%	0.357	32%	0.324	S	S	.	.	S	Bend	trans	-114.9	166.5	-172.8	78.7	0	0	0	0	113.5	K170 Q216 G222	K170-S220 PolarHBondContact NZ-O 3.23Å; Q216-S220 WeakPolarHBondContact O-CA 2.86Å; Q216-S220 VanDerWaalsContact O-CB 3.29Å; Q216-S220 WeakPolarHBondContact O-CB 3.19Å; Q216-S220 PolarHBondContact O-N 2.71Å; Q216-S220 PolarHBondContact O-OG 3.1Å; S220-G222 PolarHBondContact O-N 3.41Å; S220-G222 PolarHBondContact OG-O 3.44Å
221	K	61	Low	78.5	Confident	208 Å²	208	69.7 Å²	69.7	90%	0.904	33%	0.326	S	S	*	.	S	Bend	trans	-73.1	-9.7	179.5	-74.2	-174.4	179.2	178.7	0	113.6
222	G	65	Low	78.2	Confident	24 Å²	24	65.8 Å²	65.8	25%	0.247	31%	0.313	C	S	.	.	S	Bend	trans	-167.8	163.8	-178.5	0	0	0	0	0	112.5	S220	S220-G222 PolarHBondContact O-N 3.41Å; S220-G222 PolarHBondContact OG-O 3.44Å
223	I	73.1	Confident	78	Confident	11 Å²	11	63.1 Å²	63.1	6%	0.056	31%	0.307	C	S	.	.			trans	-76.3	147.5	176.9	-54.2	162.3	0	0	0	110.3	L157 I173 F177 L213 I217 W225	L157-I223 HydrophobicContact CD2-CD1 4.33Å; I173-I223 HydrophobicContact CB-CD1 4.38Å; I173-I223 HydrophobicContact CD1-CD1 3.89Å; I173-I223 HydrophobicContact CD1-CG1 4.5Å; I173-I223 HydrophobicContact CG1-CD1 4.49Å; I173-I223 HydrophobicContact CG2-CD1 3.12Å; I173-I223 HydrophobicContact CG2-CG1 3.83Å; F177-I223 HydrophobicContact CE2-CD1 3.74Å; F177-I223 HydrophobicContact CE2-CG1 4.2Å; F177-I223 HydrophobicContact CZ-CD1 4.24Å; L213-I223 HydrophobicContact CD2-CG2 4.28Å; I217-I223 HydrophobicContact CD1-CD1 3.99Å; I217-I223 HydrophobicContact CD1-CG1 3.54Å; I217-I223 HydrophobicContact CG1-CB 4.5Å; I217-I223 HydrophobicContact CG1-CD1 4.32Å; I217-I223 HydrophobicContact CG1-CG1 3.35Å; I223-W225 PolarHBondContact O-N 3.4Å
224	N	77.8	Confident	77.7	Confident	69 Å²	69	64.9 Å²	64.9	37%	0.369	32%	0.316	S	S	.	.			trans	-70.6	95	157.7	-173.5	-4.8	0	0	0	110.5	M226 D227 L228	N224-M226 PolarHBondContact O-N 3.33Å; N224-M226 VanDerWaalsContact O-N 3.09Å; N224-M226 WeakPolarHBondContact OD1-CB 3.42Å; N224-M226 PolarHBondContact OD1-N 3.42Å; N224-M226 VanDerWaalsContact OD1-N 3.1Å; N224-D227 HydrophobicContact CB-CB 4.14Å; N224-D227 WeakPolarHBondContact CB-OD2 3.21Å; N224-D227 PolarHBondContact ND2-OD1 2.89Å; N224-D227 VanDerWaalsContact ND2-OD1 3.16Å; N224-D227 PolarHBondContact ND2-OD2 3.22Å; N224-D227 WeakPolarHBondContact O-CB 3.13Å; N224-D227 PolarHBondContact O-N 2.77Å; N224-L228 PolarHBondContact O-N 2.99Å
225	W	76.3	Confident	77.5	Confident	42 Å²	42	63.9 Å²	63.9	16%	0.159	31%	0.311	C	S	.	.	H	α-helix	trans	-56.9	-25	179.3	-66.8	107	0	0	0	113.7	L157 G161 Q166 I173 I223 L228 K229	L157-W225 HydrophobicContact CD1-CH2 4.24Å; L157-W225 HydrophobicContact CD1-CZ3 4.3Å; L157-W225 HydrophobicContact CG-CZ3 4.22Å; L157-W225 VanDerWaalsContact O-CZ3 3.28Å; L157-W225 WeakPolarHBondContact O-CZ3 3.47Å; G161-W225 VanDerWaalsContact CA-CD2 3.47Å; G161-W225 VanDerWaalsContact CA-CZ3 3.44Å; Q166-W225 HydrophobicContact CB-CZ2 4.24Å; Q166-W225 HydrophobicContact CG-CZ2 4.1Å; I173-W225 HydrophobicContact CD1-CH2 4.19Å; I173-W225 HydrophobicContact CD1-CZ2 4.27Å; I223-W225 PolarHBondContact O-N 3.4Å; W225-L228 HydrophobicContact CE3-CD2 3.92Å; W225-L228 HydrophobicContact CZ3-CD2 3.9Å; W225-K229 WeakPolarHBondContact O-CG 3.47Å; W225-K229 PolarHBondContact O-N 2.79Å
226	M	79.6	Confident	77.2	Confident	113 Å²	113	65.9 Å²	65.9	56%	0.557	32%	0.319	S	S	*	.	H	α-helix	trans	-69.6	-38.9	174.3	-67	-66	-72.8	0	0	111.7	N224 K229 R230	N224-M226 PolarHBondContact O-N 3.33Å; N224-M226 VanDerWaalsContact O-N 3.09Å; N224-M226 WeakPolarHBondContact OD1-CB 3.42Å; N224-M226 PolarHBondContact OD1-N 3.42Å; N224-M226 VanDerWaalsContact OD1-N 3.1Å; M226-K229 PolarHBondContact O-N 3.32Å; M226-R230 WeakPolarHBondContact O-CB 3.07Å; M226-R230 VanDerWaalsContact O-CG 3.32Å; M226-R230 WeakPolarHBondContact O-CG 3.4Å; M226-R230 PolarHBondContact O-N 3.06Å
227	D	81	Confident	76.9	Confident	43 Å²	43	68.3 Å²	68.3	23%	0.23	33%	0.329	C	S	.	.	H	α-helix	trans	-68.6	-39.1	177.9	-64.8	-17.7	0	0	0	110.5	L213 Q216 N224 R230 L231	L213-D227 HydrophobicContact CD2-CB 3.51Å; Q216-D227 PolarHBondContact NE2-OD2 2.84Å; Q216-D227 VanDerWaalsContact NE2-OD2 3.09Å; N224-D227 HydrophobicContact CB-CB 4.14Å; N224-D227 WeakPolarHBondContact CB-OD2 3.21Å; N224-D227 PolarHBondContact ND2-OD1 2.89Å; N224-D227 VanDerWaalsContact ND2-OD1 3.16Å; N224-D227 PolarHBondContact ND2-OD2 3.22Å; N224-D227 WeakPolarHBondContact O-CB 3.13Å; N224-D227 PolarHBondContact O-N 2.77Å; D227-R230 PolarHBondContact O-N 3.29Å; D227-L231 WeakPolarHBondContact O-CB 3.37Å; D227-L231 PolarHBondContact O-N 2.98Å
228	L	82.6	Confident	76.6	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-62.6	-43.7	173.1	179.8	63	0	0	0	111.9	L154 L157 A158 F177 L213 N224 W225 L231 V232	L154-L228 HydrophobicContact CB-CD1 4.5Å; L154-L228 HydrophobicContact CD2-CD1 4.29Å; L157-L228 HydrophobicContact CB-CD2 4.16Å; L157-L228 HydrophobicContact CD2-CD2 3.82Å; L157-L228 HydrophobicContact CG-CD2 3.68Å; A158-L228 HydrophobicContact CB-CD2 4.06Å; A158-L228 HydrophobicContact CB-CG 4.1Å; F177-L228 HydrophobicContact CE1-CD1 4.09Å; F177-L228 HydrophobicContact CZ-CD1 4.07Å; L213-L228 HydrophobicContact CD1-CB 4.26Å; L213-L228 HydrophobicContact CD1-CD1 3.97Å; N224-L228 PolarHBondContact O-N 2.99Å; W225-L228 HydrophobicContact CE3-CD2 3.92Å; W225-L228 HydrophobicContact CZ3-CD2 3.9Å; L228-L231 WeakPolarHBondContact O-CB 3.28Å; L228-L231 PolarHBondContact O-N 3.37Å; L228-V232 WeakPolarHBondContact O-CG2 3.35Å; L228-V232 PolarHBondContact O-N 2.85Å
229	K	82.6	Confident	76.5	Confident	88 Å²	88	66.5 Å²	66.5	38%	0.383	32%	0.322	S	S	.	.	H	α-helix	trans	-63.1	-43.5	176.7	-77	179.5	179.4	-178.2	0	111.9	A158 W225 M226 L231 V232 T233	A158-K229 HydrophobicContact CB-CG 4.47Å; W225-K229 WeakPolarHBondContact O-CG 3.47Å; W225-K229 PolarHBondContact O-N 2.79Å; M226-K229 PolarHBondContact O-N 3.32Å; K229-L231 VanDerWaalsContact C-N 3.3Å; K229-L231 PolarHBondContact O-N 2.81Å; K229-V232 PolarHBondContact O-N 3.04Å; K229-T233 PolarHBondContact O-N 3.3Å; K229-T233 PolarHBondContact O-OG1 3.16Å; K229-T233 VanDerWaalsContact O-OG1 3.13Å
230	R	83.3	Confident	76.3	Confident	137 Å²	137	64.9 Å²	64.9	52%	0.517	31%	0.314	S	S	.	.	H	α-helix	trans	-59.4	-41.7	174.3	-75.2	173.3	176.1	-176.6	-3.7	111.8	M226 D227 T233 L234	M226-R230 WeakPolarHBondContact O-CB 3.07Å; M226-R230 VanDerWaalsContact O-CG 3.32Å; M226-R230 WeakPolarHBondContact O-CG 3.4Å; M226-R230 PolarHBondContact O-N 3.06Å; D227-R230 PolarHBondContact O-N 3.29Å; R230-T233 PolarHBondContact O-N 2.75Å; R230-L234 WeakPolarHBondContact O-CB 3.23Å; R230-L234 PolarHBondContact O-N 3.13Å
231	L	85	Confident	76.3	Confident	7 Å²	7	67.8 Å²	67.8	4%	0.037	32%	0.317	C	S	.	.	H	α-helix	trans	-62.5	-46.4	175	178.6	63	0	0	0	111.4	L154 N209 V210 L213 D227 L228 K229 T233 L234 L235	L154-L231 HydrophobicContact CD1-CD2 4.2Å; N209-L231 HydrophobicContact CB-CD1 3.66Å; V210-L231 HydrophobicContact CB-CD2 4.46Å; V210-L231 HydrophobicContact CG2-CD2 3.67Å; L213-L231 HydrophobicContact CD1-CB 4.23Å; L213-L231 HydrophobicContact CD1-CD2 3.45Å; L213-L231 VanDerWaalsContact CD1-CD2 3.45Å; L213-L231 HydrophobicContact CD1-CG 4.49Å; D227-L231 WeakPolarHBondContact O-CB 3.37Å; D227-L231 PolarHBondContact O-N 2.98Å; L228-L231 WeakPolarHBondContact O-CB 3.28Å; L228-L231 PolarHBondContact O-N 3.37Å; K229-L231 VanDerWaalsContact C-N 3.3Å; K229-L231 PolarHBondContact O-N 2.81Å; L231-T233 VanDerWaalsContact C-N 3.31Å; L231-T233 PolarHBondContact O-N 2.81Å; L231-L234 HydrophobicContact CD1-CD2 4.47Å; L231-L234 WeakPolarHBondContact O-CB 3.3Å; L231-L234 PolarHBondContact O-N 2.77Å; L231-L234 VanDerWaalsContact O-N 3.13Å; L231-L235 HydrophobicContact CD1-CG 4.33Å; L231-L235 HydrophobicContact CG-CD1 4.13Å; L231-L235 HydrophobicContact CG-CG 4.36Å; L231-L235 WeakPolarHBondContact O-CG 3.24Å; L231-L235 PolarHBondContact O-N 3.44Å
232	V	84	Confident	76.5	Confident	14 Å²	14	58.8 Å²	58.8	9%	0.085	28%	0.278	C	S	.	.	H	α-helix	trans	-59	-43.5	177	171.5	0	0	0	0	111.3	L154 A158 L228 K229 L234 L235 E236	L154-V232 HydrophobicContact CB-CG2 4.26Å; A158-V232 HydrophobicContact CB-CG2 3.95Å; L228-V232 WeakPolarHBondContact O-CG2 3.35Å; L228-V232 PolarHBondContact O-N 2.85Å; K229-V232 PolarHBondContact O-N 3.04Å; V232-L234 PolarHBondContact O-N 3.46Å; V232-L235 WeakPolarHBondContact O-CB 3.29Å; V232-L235 PolarHBondContact O-N 2.84Å; V232-E236 WeakPolarHBondContact O-CG 3.21Å; V232-E236 PolarHBondContact O-N 3.32Å
233	T	82.9	Confident	76.2	Confident	68 Å²	68	62.9 Å²	62.9	42%	0.417	29%	0.294	S	S	.	.	H	α-helix	trans	-61	-45.2	173.7	-56	0	0	0	0	111.5	K229 R230 L231 L235 E236 H237	K229-T233 PolarHBondContact O-N 3.3Å; K229-T233 PolarHBondContact O-OG1 3.16Å; K229-T233 VanDerWaalsContact O-OG1 3.13Å; R230-T233 PolarHBondContact O-N 2.75Å; L231-T233 VanDerWaalsContact C-N 3.31Å; L231-T233 PolarHBondContact O-N 2.81Å; T233-L235 VanDerWaalsContact C-N 3.28Å; T233-L235 PolarHBondContact O-N 2.84Å; T233-E236 PolarHBondContact O-N 3.39Å; T233-H237 VanDerWaalsContact CG2-CE1 3.48Å; T233-H237 WeakPolarHBondContact CG2-CE1 3.39Å; T233-H237 PolarHBondContact O-N 3.49Å; T233-H237 PolarHBondContact O-ND1 2.72Å
234	L	79.5	Confident	75.2	Confident	44 Å²	44	65.7 Å²	65.7	23%	0.23	31%	0.312	C	S	.	.	H	α-helix	trans	-59.5	-40	176.5	-175.3	68.9	0	0	0	111.6	R230 L231 V232 H237 M238	R230-L234 WeakPolarHBondContact O-CB 3.23Å; R230-L234 PolarHBondContact O-N 3.13Å; L231-L234 HydrophobicContact CD1-CD2 4.47Å; L231-L234 WeakPolarHBondContact O-CB 3.3Å; L231-L234 PolarHBondContact O-N 2.77Å; L231-L234 VanDerWaalsContact O-N 3.13Å; V232-L234 PolarHBondContact O-N 3.46Å; L234-H237 PolarHBondContact O-N 3.3Å; L234-M238 HydrophobicContact CD1-CE 4.45Å; L234-M238 HydrophobicContact CD2-CE 4.07Å; L234-M238 HydrophobicContact CG-CE 3.65Å; L234-M238 WeakPolarHBondContact O-CE 3.4Å; L234-M238 PolarHBondContact O-N 2.85Å
235	L	82.1	Confident	73.9	Confident	3 Å²	3	71 Å²	71	2%	0.016	34%	0.335	C	S	.	.	H	α-helix	trans	-62.6	-41.9	177.1	-70.5	171.6	0	0	0	112.7	N151 L154 Y184 I206 L231 V232 T233 M238 K239	N151-L235 WeakPolarHBondContact OD1-CD2 3.32Å; L154-L235 HydrophobicContact CB-CD1 4.44Å; L154-L235 HydrophobicContact CD1-CD1 3.67Å; Y184-L235 HydrophobicContact CE1-CD2 4.42Å; Y184-L235 WeakPolarHBondContact OH-CD1 3.16Å; Y184-L235 WeakPolarHBondContact OH-CD2 3.27Å; I206-L235 HydrophobicContact CB-CD2 4.11Å; I206-L235 HydrophobicContact CD1-CD2 3.48Å; I206-L235 VanDerWaalsContact CD1-CD2 3.48Å; I206-L235 HydrophobicContact CG1-CD2 3.54Å; I206-L235 HydrophobicContact CG2-CD2 3.45Å; I206-L235 VanDerWaalsContact CG2-CD2 3.45Å; L231-L235 HydrophobicContact CD1-CG 4.33Å; L231-L235 HydrophobicContact CG-CD1 4.13Å; L231-L235 HydrophobicContact CG-CG 4.36Å; L231-L235 WeakPolarHBondContact O-CG 3.24Å; L231-L235 PolarHBondContact O-N 3.44Å; V232-L235 WeakPolarHBondContact O-CB 3.29Å; V232-L235 PolarHBondContact O-N 2.84Å; T233-L235 VanDerWaalsContact C-N 3.28Å; T233-L235 PolarHBondContact O-N 2.84Å; L235-M238 HydrophobicContact CD2-CE 4.3Å; L235-M238 PolarHBondContact O-N 2.77Å; L235-K239 PolarHBondContact O-N 2.74Å
236	E	78.5	Confident	72.1	Confident	110 Å²	110	75.6 Å²	75.6	51%	0.514	36%	0.358	S	S	.	.	H	α-helix	trans	-61.9	-45	175.8	-71.1	171.2	164.3	0	0	111.1	V232 T233 M238 K239 E240	V232-E236 WeakPolarHBondContact O-CG 3.21Å; V232-E236 PolarHBondContact O-N 3.32Å; T233-E236 PolarHBondContact O-N 3.39Å; E236-M238 PolarHBondContact O-N 3.38Å; E236-K239 WeakPolarHBondContact O-CB 3.12Å; E236-K239 PolarHBondContact O-N 3.1Å; E236-E240 PolarHBondContact O-N 2.75Å
237	H	74.5	Confident	70.1	Confident	109 Å²	109	75.5 Å²	75.5	51%	0.505	37%	0.365	S	S	.	.	H	α-helix	trans	-65	-37.4	176.9	-69.6	84.5	0	0	0	112.8	T233 L234 K239	T233-H237 VanDerWaalsContact CG2-CE1 3.48Å; T233-H237 WeakPolarHBondContact CG2-CE1 3.39Å; T233-H237 PolarHBondContact O-N 3.49Å; T233-H237 PolarHBondContact O-ND1 2.72Å; L234-H237 PolarHBondContact O-N 3.3Å; H237-K239 VanDerWaalsContact C-N 3.32Å
238	M	71.3	Confident	68	Low	6 Å²	6	77.9 Å²	77.9	3%	0.03	38%	0.382	C	S	.	.	H	α-helix	trans	-73.4	-26.5	176.5	-80.2	-176.9	-64.3	0	0	112.7	C202 I206 L234 L235 E236 E240 R241 F242	C202-M238 HydrophobicContact CB-SD 4.06Å; I206-M238 HydrophobicContact CB-CE 4.5Å; I206-M238 HydrophobicContact CD1-CE 3.48Å; I206-M238 VanDerWaalsContact CD1-CE 3.48Å; I206-M238 HydrophobicContact CD1-SD 4.02Å; I206-M238 HydrophobicContact CG1-CE 3.08Å; I206-M238 HydrophobicContact CG1-SD 3.84Å; L234-M238 HydrophobicContact CD1-CE 4.45Å; L234-M238 HydrophobicContact CD2-CE 4.07Å; L234-M238 HydrophobicContact CG-CE 3.65Å; L234-M238 WeakPolarHBondContact O-CE 3.4Å; L234-M238 PolarHBondContact O-N 2.85Å; L235-M238 HydrophobicContact CD2-CE 4.3Å; L235-M238 PolarHBondContact O-N 2.77Å; E236-M238 PolarHBondContact O-N 3.38Å; M238-E240 VanDerWaalsContact C-N 3.32Å; M238-E240 PolarHBondContact O-N 2.75Å; M238-R241 PolarHBondContact O-N 3.38Å; M238-R241 VanDerWaalsContact O-N 3.09Å; M238-F242 HydrophobicContact CB-CE2 4.19Å; M238-F242 WeakPolarHBondContact O-CD2 3.21Å; M238-F242 PolarHBondContact O-N 2.78Å
239	K	71	Confident	65.7	Low	78 Å²	78	83.7 Å²	83.7	34%	0.339	42%	0.417	S	S	.	.	H	α-helix	trans	-58.7	-45.9	173.3	-176.3	173.2	172.2	155.4	0	111.3	D148 L235 E236 H237 R241 F242	D148-K239 VanDerWaalsContact CG-NZ 3.26Å; D148-K239 VanDerWaalsContact OD1-CE 3.3Å; D148-K239 WeakPolarHBondContact OD1-CE 3.19Å; D148-K239 IonicContact OD1-NZ 2.72Å; D148-K239 PolarHBondContact OD1-NZ 3.48Å; D148-K239 IonicContact OD2-NZ 3.13Å; D148-K239 PolarHBondContact OD2-NZ 2.93Å; D148-K239 VanDerWaalsContact OD2-NZ 3.13Å; L235-K239 PolarHBondContact O-N 2.74Å; E236-K239 WeakPolarHBondContact O-CB 3.12Å; E236-K239 PolarHBondContact O-N 3.1Å; H237-K239 VanDerWaalsContact C-N 3.32Å; K239-R241 PolarHBondContact O-N 3.36Å; K239-F242 PolarHBondContact O-N 3.44Å
240	E	67.4	Low	63.4	Low	137 Å²	137	88.4 Å²	88.4	64%	0.64	44%	0.44	S	S	*	.	H	α-helix	trans	-58.8	-31.7	175.7	-63.8	178.2	171.2	0	0	112.2	E236 M238 V244	E236-E240 PolarHBondContact O-N 2.75Å; M238-E240 VanDerWaalsContact C-N 3.32Å; M238-E240 PolarHBondContact O-N 2.75Å; E240-V244 WeakPolarHBondContact O-CG2 3.37Å
241	R	63.8	Low	61.4	Low	112 Å²	112	84.9 Å²	84.9	42%	0.423	43%	0.431	S	S	.	.	H	α-helix	trans	-81.5	-21.3	177.2	-65.2	-170.6	177.1	179.6	-3.7	114.4	M238 K239 D243 V244	M238-R241 PolarHBondContact O-N 3.38Å; M238-R241 VanDerWaalsContact O-N 3.09Å; K239-R241 PolarHBondContact O-N 3.36Å; R241-D243 VanDerWaalsContact C-N 3.27Å; R241-V244 PolarHBondContact O-N 3.48Å
242	F	64.6	Low	59	Low	20 Å²	20	93 Å²	93	9%	0.088	47%	0.469	C	S	.	.	H	α-helix	trans	-71.2	-26.8	173.9	-69.4	-52.8	0	0	0	111.9	V147 V199 C202 I203 I206 M238 K239 V244	V147-F242 HydrophobicContact CG1-CD2 4.25Å; V147-F242 HydrophobicContact CG1-CE2 3.93Å; V199-F242 HydrophobicContact CB-CD1 4.29Å; V199-F242 HydrophobicContact CB-CE1 4.26Å; V199-F242 HydrophobicContact CG1-CD1 3.89Å; V199-F242 HydrophobicContact CG1-CE1 3.79Å; V199-F242 HydrophobicContact CG2-CD1 4.13Å; C202-F242 HydrophobicContact CB-CE1 3.63Å; C202-F242 HydrophobicContact CB-CZ 3.72Å; I203-F242 HydrophobicContact CG1-CE1 4.06Å; I203-F242 HydrophobicContact CG1-CZ 3.8Å; I206-F242 HydrophobicContact CD1-CE2 4.28Å; I206-F242 HydrophobicContact CD1-CZ 4.19Å; M238-F242 HydrophobicContact CB-CE2 4.19Å; M238-F242 WeakPolarHBondContact O-CD2 3.21Å; M238-F242 PolarHBondContact O-N 2.78Å; K239-F242 PolarHBondContact O-N 3.44Å; F242-V244 VanDerWaalsContact C-N 3.33Å
243	D	58.9	Low	56.9	Low	109 Å²	109	96.1 Å²	96.1	58%	0.583	48%	0.484	S	S	*	.	S	Bend	trans	-79.6	-16.6	177.9	-67.9	-23.9	0	0	0	112.8	H144 R241	H144-D243 IonicContact CE1-OD1 2.66Å; H144-D243 PolarHBondContact CE1-OD1 3.31Å; H144-D243 IonicContact ND1-OD1 3.92Å; R241-D243 VanDerWaalsContact C-N 3.27Å
244	V	52.6	Low	54.6	Low	71 Å²	71	101.4 Å²	101.4	43%	0.43	50%	0.504	S	S	.	.			trans	-96.6	104.9	-179.5	-176	0	0	0	0	109.8	E240 R241 F242 E246	E240-V244 WeakPolarHBondContact O-CG2 3.37Å; R241-V244 PolarHBondContact O-N 3.48Å; F242-V244 VanDerWaalsContact C-N 3.33Å; V244-E246 HydrophobicContact CG1-CB 3.65Å; V244-E246 VanDerWaalsContact CG1-CD 3.42Å; V244-E246 HydrophobicContact CG1-CG 3.35Å; V244-E246 PolarHBondContact O-N 3.29Å
245	Q	49.9	Very low	52.4	Low	181 Å²	181	104.8 Å²	104.8	85%	0.846	53%	0.529	S	S	*	.			trans	-74.2	51.6	168.1	-70.1	-171.6	-4.5	0	0	111.5
246	E	40	Very low	50.3	Low	137 Å²	137	109.1 Å²	109.1	64%	0.64	55%	0.551	S	S	*	*			trans	-80	135.1	176.8	-92.4	172.5	-175.2	0	0	110.9	I198 V244 V248	I198-E246 VanDerWaalsContact CD1-O 3.23Å; I198-E246 WeakPolarHBondContact CD1-O 3.39Å; V244-E246 HydrophobicContact CG1-CB 3.65Å; V244-E246 VanDerWaalsContact CG1-CD 3.42Å; V244-E246 HydrophobicContact CG1-CG 3.35Å; V244-E246 PolarHBondContact O-N 3.29Å; E246-V248 PolarHBondContact O-N 3.17Å
247	P	35.9	Very low	48.3	Very low	111 Å²	111	109.1 Å²	109.1	72%	0.721	56%	0.561	S	S	*	*			trans	-61	134.9	170.5	25.2	-31.2	0	0	0	109.7	T249	P247-T249 PolarHBondContact O-N 2.93Å
248	V	37.3	Very low	46.3	Very low	94 Å²	94	112.6 Å²	112.6	57%	0.57	58%	0.578	S	S	*	*			trans	-55.4	102.6	-178.4	-173.4	0	0	0	0	110.7	I198 E246	I198-V248 HydrophobicContact CD1-CB 4.45Å; I198-V248 HydrophobicContact CD1-CG2 3.26Å; I198-V248 HydrophobicContact CG1-CG2 3.25Å; E246-V248 PolarHBondContact O-N 3.17Å
249	T	35.1	Very low	44.5	Very low	121 Å²	121	121.3 Å²	121.3	74%	0.742	62%	0.615	S	S	*	*			trans	-106	139.9	148.5	37.3	0	0	0	0	106.5	P247 I251	P247-T249 PolarHBondContact O-N 2.93Å; T249-I251 PolarHBondContact O-N 2.98Å
250	E	34.7	Very low	42.8	Very low	188 Å²	188	122.7 Å²	122.7	88%	0.879	63%	0.632	S	S	*	*			trans	-36.7	106.6	-166.1	-68.9	170.4	148.7	0	0	113.8	E252	E250-E252 PolarHBondContact O-N 2.69Å
251	I	40.4	Very low	41	Very low	62 Å²	62	121.9 Å²	121.9	32%	0.318	64%	0.642	S	S	.	*			trans	-80.8	99.1	166.9	-60.2	179.3	0	0	0	106.9	T249 L253	T249-I251 PolarHBondContact O-N 2.98Å; I251-L253 HydrophobicContact CG2-CD2 4.35Å; I251-L253 HydrophobicContact CG2-CG 3.99Å; I251-L253 PolarHBondContact O-N 3.19Å; I251-L253 VanDerWaalsContact O-N 3.13Å
252	E	35.2	Very low	39.5	Very low	179 Å²	179	125.1 Å²	125.1	84%	0.836	66%	0.659	S	S	*	*			trans	-60.9	106.4	156.6	-88	-176	145.6	0	0	108	E250	E250-E252 PolarHBondContact O-N 2.69Å
253	L	40	Very low	38	Very low	78 Å²	78	129.2 Å²	129.2	41%	0.408	69%	0.691	S	S	.	*			trans	-91.4	105.4	160.8	-75.3	164.7	0	0	0	105.7	I251	I251-L253 HydrophobicContact CG2-CD2 4.35Å; I251-L253 HydrophobicContact CG2-CG 3.99Å; I251-L253 PolarHBondContact O-N 3.19Å; I251-L253 VanDerWaalsContact O-N 3.13Å
254	E	34.7	Very low	36.7	Very low	179 Å²	179	131.1 Å²	131.1	84%	0.836	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-56.5	129.8	172.1	-73.8	-165.2	162.7	0	0	109.5	I256	E254-I256 PolarHBondContact O-N 3.41Å
255	P	32.5	Very low	35.8	Very low	116 Å²	116	135.4 Å²	135.4	75%	0.753	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-64.2	132.7	175.7	24.8	-30.7	0	0	0	109.9
256	I	38.7	Very low	35.1	Very low	93 Å²	93	132 Å²	132	48%	0.477	72%	0.715	S	S	.	*	P	Polyproline II helix	trans	-58.9	127.3	170.7	-60.9	170.2	0	0	0	107.5	E254 E258	E254-I256 PolarHBondContact O-N 3.41Å; I256-E258 PolarHBondContact O-N 3.49Å
257	P	35.8	Very low	34.9	Very low	111 Å²	111	128.3 Å²	128.3	72%	0.721	71%	0.713	S	S	*	*			trans	-61.7	113.1	-175.5	20.4	-30.5	0	0	0	111.4	K259	P257-K259 VanDerWaalsContact C-N 3.32Å; P257-K259 PolarHBondContact O-N 3.03Å
258	E	32.2	Very low	35	Very low	182 Å²	182	131 Å²	131	85%	0.85	72%	0.722	S	S	*	*			trans	-72.8	81.9	168.2	-69.4	-173.9	166.2	0	0	109.6	I256	I256-E258 PolarHBondContact O-N 3.49Å
259	K	34.4	Very low	35.1	Very low	188 Å²	188	135.6 Å²	135.6	82%	0.817	73%	0.734	S	S	*	*			trans	-175.6	132	150.3	-106.9	161.9	-173.1	179.9	0	111.8	P257 S261	P257-K259 VanDerWaalsContact C-N 3.32Å; P257-K259 PolarHBondContact O-N 3.03Å; K259-S261 PolarHBondContact O-N 3.48Å
260	P	33.9	Very low	35.5	Very low	107 Å²	107	136.5 Å²	136.5	70%	0.695	73%	0.734	S	S	*	*			trans	-77.2	116.3	160.6	31.2	-26.4	0	0	0	107.9	F262	P260-F262 HydrophobicContact CB-CD2 4.21Å; P260-F262 PolarHBondContact O-N 2.74Å
261	S	30.7	Very low	35.9	Very low	121 Å²	121	135.4 Å²	135.4	85%	0.846	73%	0.729	S	S	*	*			trans	-71.6	84	165.6	52.7	0	0	0	0	109	K259 S263	K259-S261 PolarHBondContact O-N 3.48Å; S261-S263 PolarHBondContact O-N 3.48Å
262	F	32.2	Very low	36	Very low	179 Å²	179	136.9 Å²	136.9	79%	0.785	75%	0.745	S	S	*	*			trans	-82.4	99.2	157.3	-93	-84.7	0	0	0	107.9	P260 L264	P260-F262 HydrophobicContact CB-CD2 4.21Å; P260-F262 PolarHBondContact O-N 2.74Å; F262-L264 PolarHBondContact O-N 2.89Å
263	S	32.4	Very low	36.3	Very low	107 Å²	107	135.1 Å²	135.1	75%	0.748	74%	0.741	S	S	*	*			trans	-79	96	158.7	54.6	0	0	0	0	108	S261 I265	S261-S263 PolarHBondContact O-N 3.48Å; S263-I265 PolarHBondContact O-N 2.82Å
264	L	31.3	Very low	36.4	Very low	148 Å²	148	137 Å²	137	78%	0.775	76%	0.756	S	S	*	*			trans	-67.8	112.6	159.4	-81.1	157.6	0	0	0	107.8	F262	F262-L264 PolarHBondContact O-N 2.89Å
265	I	35.5	Very low	36.7	Very low	162 Å²	162	133 Å²	133	83%	0.831	75%	0.748	S	S	*	*			trans	-95.8	103.3	155.4	-61.4	176.7	0	0	0	105.6	S263	S263-I265 PolarHBondContact O-N 2.82Å
266	S	33.5	Very low	37.4	Very low	110 Å²	110	133 Å²	133	77%	0.769	75%	0.746	S	S	*	*			trans	-118.2	127.6	165.9	57.1	0	0	0	0	108.1
267	G	35.8	Very low	37.5	Very low	58 Å²	58	135.3 Å²	135.3	60%	0.598	76%	0.759	S	S	*	*			trans	141.5	113.7	-177.8	0	0	0	0	0	107
268	D	37.9	Very low	37.9	Very low	168 Å²	168	134.7 Å²	134.7	90%	0.898	76%	0.757	S	S	*	*			cis	-150.4	150.1	27.1	-84.9	-37.9	0	0	0	111.7
269	K	40.2	Very low	38.8	Very low	190 Å²	190	135.5 Å²	135.5	83%	0.826	78%	0.783	S	S	*	*			trans	-82.5	140.2	158.4	-75.1	174.3	172	176.6	0	107.9
270	D	42.7	Very low	39	Very low	140 Å²	140	132.9 Å²	132.9	75%	0.749	78%	0.781	S	S	*	*				178	118.6	127.7	-90.3	-12.1	0	0	0	108.3
271	E	45.1	Very low	39.2	Very low	165 Å²	165	134.2 Å²	134.2	77%	0.771	79%	0.786	S	S	*	*				67.9	94.6	110.2	-76.2	-169.4	158.1	0	0	111.6
272	S	41.8	Very low	39.7	Very low	94 Å²	94	134.9 Å²	134.9	66%	0.657	78%	0.782	S	S	*	*				72.5	143.6	98.5	59.5	0	0	0	0	114.2
273	D	42.1	Very low	40.2	Very low	141 Å²	141	132.4 Å²	132.4	75%	0.754	78%	0.782	S	S	*	*			trans	90.6	102.4	157.9	-67.9	-6.8	0	0	0	119.7
274	T	41.7	Very low	40.7	Very low	117 Å²	117	133.9 Å²	133.9	72%	0.718	78%	0.784	S	S	*	*				62	108.8	128.7	27.3	0	0	0	0	120.3
275	S	41.3	Very low	41.3	Very low	97 Å²	97	133 Å²	133	68%	0.678	79%	0.785	S	S	*	*				54.8	137.1	114.3	72.8	0	0	0	0	121.1
276	V	46.1	Very low	41.7	Very low	116 Å²	116	130.9 Å²	130.9	70%	0.703	78%	0.782	S	S	*	*			trans	111.1	111.9	142	-171.4	0	0	0	0	116.8
277	N	41	Very low	42.3	Very low	141 Å²	141	132.5 Å²	132.5	75%	0.754	78%	0.783	S	S	*	*			trans	95.9	117.1	136.4	-83.6	0.9	0	0	0	123.7
278	S	43.7	Very low	42.9	Very low	97 Å²	97	138.8 Å²	138.8	68%	0.678	80%	0.798	S	S	*	*				87.1	101.4	119.4	-56.1	0	0	0	0	120
279	S	50.6	Low	43.3	Very low	199 Å²	199	136.1 Å²	136.1	100%	1.392	79%	0.789	S	S	*	*				-159.9	0	101.4	-71.6	0	0	0	0	110

Retrieved 279 of 279 residues in 122.5 ms (Link to these results)

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