A0A3Q0KLT6_SCHMA Loading...

Jab1/MPN domain metalloenzyme (M67 family)

AlphaFold DB , UniProt , Accession A0A3Q0KLT6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 347 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	37.6	Very low	33.7	Very low	247 Å²	247	162.5 Å²	162.5	100%	1.217	85%	0.854	S	S	*	*				0	110.4	0	-77.7	175.1	173	0	0	107.8
2	T	35.1	Very low	33.3	Very low	137 Å²	137	158.7 Å²	158.7	84%	0.84	85%	0.851	S	S	*	*			trans	-90.6	127.1	171.5	38.6	0	0	0	0	109.4
3	T	34.2	Very low	33.3	Very low	124 Å²	124	157.5 Å²	157.5	76%	0.761	84%	0.842	S	S	*	*			trans	165.7	140.6	157.2	43.8	0	0	0	0	106.3
4	N	35.5	Very low	33.1	Very low	149 Å²	149	153.4 Å²	153.4	80%	0.797	83%	0.832	S	S	*	*			cis	-155.8	149.1	4	-103.4	-19.2	0	0	0	107.6
5	K	32.4	Very low	33	Very low	198 Å²	198	154.7 Å²	154.7	86%	0.861	83%	0.83	S	S	*	*			trans	-76.3	125.3	166	-69.3	175.3	173.9	179.4	0	108.4
6	E	34.2	Very low	32.8	Very low	185 Å²	185	153.3 Å²	153.3	86%	0.864	82%	0.822	S	S	*	*			trans	-114.8	112	154.8	-82.8	-175.5	162.8	0	0	107.7
7	V	30.6	Very low	32.9	Very low	134 Å²	134	151.1 Å²	151.1	81%	0.812	82%	0.818	S	S	*	*			trans	-111.6	109.9	169.2	175.3	0	0	0	0	105.1
8	V	32.8	Very low	32.9	Very low	125 Å²	125	149.5 Å²	149.5	76%	0.758	81%	0.814	S	S	*	*			trans	-114.7	136.2	172.3	178.4	0	0	0	0	107.9
9	P	32.8	Very low	32.9	Very low	110 Å²	110	149.9 Å²	149.9	71%	0.714	81%	0.814	S	S	*	*			trans	-90.2	136.2	-157	26	-15.4	0	0	0	112.9	Q11	P9-Q11 PolarHBondContact O-N 3.28Å
10	Q	32.7	Very low	33.1	Very low	198 Å²	198	148.2 Å²	148.2	93%	0.925	81%	0.809	S	S	*	*			trans	-75.3	107.4	170.5	-72.9	179.3	-16.5	0	0	109.5	S12	Q10-S12 PolarHBondContact O-N 3.26Å
11	Q	32.8	Very low	33.3	Very low	181 Å²	181	148.4 Å²	148.4	85%	0.846	81%	0.809	S	S	*	*			trans	-69.7	124.2	167.8	-78.8	-178.8	-19.1	0	0	109.9	P9 I13	P9-Q11 PolarHBondContact O-N 3.28Å; Q11-I13 PolarHBondContact O-N 3.47Å
12	S	28.4	Very low	33.8	Very low	116 Å²	116	141 Å²	141	81%	0.811	78%	0.782	S	S	*	*			trans	-66.4	105.7	173.6	53.1	0	0	0	0	111	Q10 S14	Q10-S12 PolarHBondContact O-N 3.26Å; S12-S14 PolarHBondContact O-N 3.46Å
13	I	33.8	Very low	34.3	Very low	144 Å²	144	140.1 Å²	140.1	74%	0.738	78%	0.779	S	S	*	*			trans	-88.5	100.8	162.6	-61.7	176.5	0	0	0	107	Q11 Q15	Q11-I13 PolarHBondContact O-N 3.47Å; I13-Q15 HydrophobicContact CG2-CG 4.34Å; I13-Q15 PolarHBondContact O-N 3.43Å
14	S	30.8	Very low	35	Very low	100 Å²	100	140.7 Å²	140.7	70%	0.699	78%	0.776	S	S	*	*			trans	-56	101.2	163.3	155.8	0	0	0	0	108.6	S12	S12-S14 PolarHBondContact O-N 3.46Å
15	Q	31.6	Very low	36.9	Very low	172 Å²	172	138.3 Å²	138.3	80%	0.804	76%	0.764	S	S	*	*			trans	-87.8	101	163.5	-69.6	-173.7	-4.6	0	0	106.9	I13	I13-Q15 HydrophobicContact CG2-CG 4.34Å; I13-Q15 PolarHBondContact O-N 3.43Å
16	N	29.7	Very low	38.9	Very low	132 Å²	132	132.3 Å²	132.3	71%	0.706	75%	0.751	S	S	*	*			trans	-52.3	127.5	162.8	-84.4	-25.8	0	0	0	108	V18	N16-V18 PolarHBondContact O-N 2.93Å
17	P	34.9	Very low	40.9	Very low	116 Å²	116	124.3 Å²	124.3	75%	0.753	72%	0.716	S	S	*	*			trans	-67.2	107.3	177.1	27.3	-30	0	0	0	106.7	L19	P17-L19 PolarHBondContact O-N 3.04Å
18	V	31.6	Very low	43.3	Very low	123 Å²	123	120 Å²	120	75%	0.745	69%	0.69	S	S	*	*			trans	-53.5	108.8	162.1	174.8	0	0	0	0	104.9	N16 T20	N16-V18 PolarHBondContact O-N 2.93Å; V18-T20 PolarHBondContact O-N 2.98Å
19	L	33.9	Very low	45.5	Very low	157 Å²	157	116.2 Å²	116.2	82%	0.822	67%	0.669	S	S	*	*			trans	-54.1	98.5	167.2	-80.8	159.6	0	0	0	105.7	P17 N21	P17-L19 PolarHBondContact O-N 3.04Å; L19-N21 VanDerWaalsContact C-N 3.27Å; L19-N21 PolarHBondContact O-N 2.78Å
20	T	37.4	Very low	47.6	Very low	116 Å²	116	112.9 Å²	112.9	71%	0.712	65%	0.651	S	S	*	*			trans	-63.3	99.3	171.4	50.9	0	0	0	0	105	V18 S22	V18-T20 PolarHBondContact O-N 2.98Å; T20-S22 PolarHBondContact O-N 2.88Å
21	N	37.3	Very low	49.6	Very low	152 Å²	152	106.8 Å²	106.8	81%	0.813	62%	0.619	S	S	*	*			trans	-60.1	84	161.6	-80.4	-14.4	0	0	0	106.2	L19	L19-N21 VanDerWaalsContact C-N 3.27Å; L19-N21 PolarHBondContact O-N 2.78Å
22	S	47.3	Very low	51.9	Low	92 Å²	92	102.9 Å²	102.9	64%	0.643	60%	0.601	S	S	*	*			trans	-53.3	125.7	164.2	-66.4	0	0	0	0	106	T20 L24	T20-S22 PolarHBondContact O-N 2.88Å; S22-L24 PolarHBondContact O-N 2.92Å
23	P	46.3	Very low	54.3	Low	119 Å²	119	102.8 Å²	102.8	77%	0.773	59%	0.588	S	S	*	*			trans	-58.2	121.1	-176.5	21.5	-30.1	0	0	0	108	N25	P23-N25 PolarHBondContact O-N 2.86Å
24	L	49.1	Very low	56.5	Low	135 Å²	135	100.6 Å²	100.6	71%	0.707	57%	0.57	S	S	*	*			trans	-53.3	103.1	171.6	-74.9	159.5	0	0	0	107.1	S22	S22-L24 PolarHBondContact O-N 2.92Å
25	N	74.1	Confident	58.9	Low	100 Å²	100	97.4 Å²	97.4	54%	0.535	54%	0.544	S	S	.	.			trans	-74.5	136	172.9	-173.5	-10.5	0	0	0	106.6	P23 S27 T28 S29	P23-N25 PolarHBondContact O-N 2.86Å; N25-S27 VanDerWaalsContact CG-OG 3.26Å; N25-S27 PolarHBondContact ND2-OG 3.33Å; N25-S27 PolarHBondContact O-N 3.05Å; N25-S27 PolarHBondContact OD1-N 2.79Å; N25-S27 PolarHBondContact OD1-OG 3.46Å; N25-T28 HydrophobicContact CB-CG2 4.43Å; N25-T28 PolarHBondContact N-OG1 2.75Å; N25-T28 PolarHBondContact O-N 3.21Å; N25-T28 PolarHBondContact O-OG1 2.86Å; N25-S29 PolarHBondContact O-N 2.99Å
26	A	75.3	Confident	61.2	Low	72 Å²	72	94.2 Å²	94.2	60%	0.595	54%	0.536	S	S	*	.	H	α-helix	trans	-51.8	-31.9	180	0	0	0	0	0	112.2	A30	A26-A30 WeakPolarHBondContact O-CB 3.42Å; A26-A30 PolarHBondContact O-N 2.96Å; A26-A30 VanDerWaalsContact O-N 3.1Å
27	S	76.2	Confident	63.5	Low	17 Å²	17	91.5 Å²	91.5	12%	0.119	52%	0.519	C	S	.	.	H	α-helix	trans	-66.2	-36.9	175.4	66	0	0	0	0	114	N25 R31 W264	N25-S27 VanDerWaalsContact CG-OG 3.26Å; N25-S27 PolarHBondContact ND2-OG 3.33Å; N25-S27 PolarHBondContact O-N 3.05Å; N25-S27 PolarHBondContact OD1-N 2.79Å; N25-S27 PolarHBondContact OD1-OG 3.46Å; S27-R31 WeakPolarHBondContact O-CB 3.37Å; S27-R31 PolarHBondContact O-N 2.86Å; S27-W264 PolarHBondContact O-NE1 3.03Å
28	T	80.5	Confident	65.6	Low	44 Å²	44	86.2 Å²	86.2	27%	0.27	49%	0.485	S	S	.	.	H	α-helix	trans	-74.5	-42.7	179.6	51.5	0	0	0	0	110.7	N25 R31 E32	N25-T28 HydrophobicContact CB-CG2 4.43Å; N25-T28 PolarHBondContact N-OG1 2.75Å; N25-T28 PolarHBondContact O-N 3.21Å; N25-T28 PolarHBondContact O-OG1 2.86Å; T28-R31 PolarHBondContact O-N 3.3Å; T28-E32 WeakPolarHBondContact O-CG 3.48Å; T28-E32 PolarHBondContact O-N 3.49Å
29	S	79.5	Confident	67.8	Low	45 Å²	45	84.9 Å²	84.9	32%	0.315	47%	0.474	S	S	.	.	H	α-helix	trans	-63.8	-44.8	178.5	-59.2	0	0	0	0	112.4	N25 R31 E32 Q33	N25-S29 PolarHBondContact O-N 2.99Å; S29-R31 VanDerWaalsContact C-N 3.29Å; S29-R31 PolarHBondContact O-N 3.16Å; S29-E32 PolarHBondContact O-N 2.88Å; S29-Q33 PolarHBondContact O-N 3.11Å
30	A	76.7	Confident	69.6	Low	40 Å²	40	78.4 Å²	78.4	33%	0.331	44%	0.441	S	S	.	.	H	α-helix	trans	-65.6	-31.8	177.1	0	0	0	0	0	112.6	A26 W34 W264	A26-A30 WeakPolarHBondContact O-CB 3.42Å; A26-A30 PolarHBondContact O-N 2.96Å; A26-A30 VanDerWaalsContact O-N 3.1Å; A30-W34 PolarHBondContact O-N 3.45Å; A30-W34 VanDerWaalsContact O-N 3.16Å; A30-W264 HydrophobicContact CB-CH2 4.12Å; A30-W264 HydrophobicContact CB-CZ2 3.68Å
31	R	74.8	Confident	71.1	Confident	69 Å²	69	77 Å²	77	26%	0.26	43%	0.426	S	S	.	.	H	α-helix	trans	-68.1	-47.8	174	-175	-178.9	68.1	179	-4	111.9	S27 T28 S29 Q33 W34 E35 D261 W264	S27-R31 WeakPolarHBondContact O-CB 3.37Å; S27-R31 PolarHBondContact O-N 2.86Å; T28-R31 PolarHBondContact O-N 3.3Å; S29-R31 VanDerWaalsContact C-N 3.29Å; S29-R31 PolarHBondContact O-N 3.16Å; R31-Q33 VanDerWaalsContact C-N 3.29Å; R31-Q33 PolarHBondContact O-N 3.14Å; R31-W34 PolarHBondContact O-N 2.87Å; R31-E35 HydrophobicContact CG-CG 4.41Å; R31-E35 WeakPolarHBondContact O-CG 3.42Å; R31-E35 PolarHBondContact O-N 3.32Å; R31-D261 IonicContact CZ-OD1 3.94Å; R31-D261 IonicContact NH1-OD1 2.8Å; R31-D261 PolarHBondContact NH1-OD1 3.16Å; R31-D261 IonicContact NH1-OD2 3.83Å; R31-W264 HydrophobicContact CB-CZ2 4.49Å
32	E	80.4	Confident	72.1	Confident	100 Å²	100	74.2 Å²	74.2	47%	0.467	42%	0.418	S	S	.	.	H	α-helix	trans	-61.5	-38.8	179.5	-73.9	170.3	-175.7	0	0	111.8	T28 S29 T36	T28-E32 WeakPolarHBondContact O-CG 3.48Å; T28-E32 PolarHBondContact O-N 3.49Å; S29-E32 PolarHBondContact O-N 2.88Å; E32-T36 WeakPolarHBondContact O-CB 3.35Å; E32-T36 PolarHBondContact O-N 3.31Å; E32-T36 PolarHBondContact O-OG1 3.49Å
33	Q	78.4	Confident	72.3	Confident	114 Å²	114	71.6 Å²	71.6	53%	0.533	40%	0.397	S	S	.	.	H	α-helix	trans	-60.8	-51	173.3	-178.4	178.9	-7.6	0	0	111.4	S29 R31 E35 T36 E37	S29-Q33 PolarHBondContact O-N 3.11Å; R31-Q33 VanDerWaalsContact C-N 3.29Å; R31-Q33 PolarHBondContact O-N 3.14Å; Q33-E35 VanDerWaalsContact C-N 3.35Å; Q33-E35 PolarHBondContact O-N 3.17Å; Q33-T36 PolarHBondContact O-N 2.8Å; Q33-E37 HydrophobicContact CG-CG 4.36Å; Q33-E37 VanDerWaalsContact CG-OE1 3.28Å; Q33-E37 WeakPolarHBondContact CG-OE1 3.3Å; Q33-E37 PolarHBondContact NE2-OE1 2.95Å; Q33-E37 WeakPolarHBondContact O-CB 3.42Å; Q33-E37 WeakPolarHBondContact O-CG 3.42Å; Q33-E37 PolarHBondContact O-N 2.85Å
34	W	80.5	Confident	72.3	Confident	98 Å²	98	74.8 Å²	74.8	37%	0.371	41%	0.406	S	S	.	.	H	α-helix	trans	-61.8	-41.6	179.3	-176.2	88.1	0	0	0	112.3	A30 R31 T36 E37 N38 V40	A30-W34 PolarHBondContact O-N 3.45Å; A30-W34 VanDerWaalsContact O-N 3.16Å; R31-W34 PolarHBondContact O-N 2.87Å; W34-T36 VanDerWaalsContact C-N 3.32Å; W34-T36 PolarHBondContact O-N 3.1Å; W34-E37 PolarHBondContact O-N 3.45Å; W34-N38 PolarHBondContact NE1-ND2 2.95Å; W34-N38 WeakPolarHBondContact O-CB 3.45Å; W34-N38 PolarHBondContact O-N 3.09Å; W34-N38 VanDerWaalsContact O-N 3.1Å; W34-N38 PolarHBondContact O-ND2 3.09Å; W34-V40 HydrophobicContact CE3-CG2 4.38Å; W34-V40 HydrophobicContact CH2-CG2 4.37Å; W34-V40 HydrophobicContact CZ3-CG2 3.79Å
35	E	82	Confident	72.7	Confident	32 Å²	32	70.2 Å²	70.2	15%	0.15	39%	0.392	C	S	.	.	H	α-helix	trans	-62.3	-40.2	176.7	-74.3	-179	159.6	0	0	111.8	R31 Q33 N39 V40 K252	R31-E35 HydrophobicContact CG-CG 4.41Å; R31-E35 WeakPolarHBondContact O-CG 3.42Å; R31-E35 PolarHBondContact O-N 3.32Å; Q33-E35 VanDerWaalsContact C-N 3.35Å; Q33-E35 PolarHBondContact O-N 3.17Å; E35-N39 PolarHBondContact O-N 2.74Å; E35-V40 HydrophobicContact CB-CB 4.04Å; E35-V40 HydrophobicContact CB-CG2 4.42Å; E35-V40 HydrophobicContact CG-CB 4.19Å; E35-V40 HydrophobicContact CG-CG1 4.37Å; E35-V40 HydrophobicContact CG-CG2 4.45Å; E35-V40 PolarHBondContact O-N 3Å; E35-K252 IonicContact OE1-NZ 3.88Å; E35-K252 PolarHBondContact OE1-NZ 3.26Å
36	T	78.8	Confident	71.8	Confident	105 Å²	105	69.3 Å²	69.3	64%	0.644	39%	0.392	S	S	*	.	H	α-helix	trans	-69	-47.1	177.3	-55.5	0	0	0	0	111.5	E32 Q33 W34 N38 N39	E32-T36 WeakPolarHBondContact O-CB 3.35Å; E32-T36 PolarHBondContact O-N 3.31Å; E32-T36 PolarHBondContact O-OG1 3.49Å; Q33-T36 PolarHBondContact O-N 2.8Å; W34-T36 VanDerWaalsContact C-N 3.32Å; W34-T36 PolarHBondContact O-N 3.1Å; T36-N38 PolarHBondContact O-N 2.93Å; T36-N39 PolarHBondContact O-N 3.27Å
37	E	79.4	Confident	71	Confident	75 Å²	75	67.5 Å²	67.5	35%	0.35	37%	0.373	S	S	.	.	H	α-helix	trans	-63.6	-29.4	-178.8	-75.4	175.3	-175.5	0	0	113.3	Q33 W34 K202	Q33-E37 HydrophobicContact CG-CG 4.36Å; Q33-E37 VanDerWaalsContact CG-OE1 3.28Å; Q33-E37 WeakPolarHBondContact CG-OE1 3.3Å; Q33-E37 PolarHBondContact NE2-OE1 2.95Å; Q33-E37 WeakPolarHBondContact O-CB 3.42Å; Q33-E37 WeakPolarHBondContact O-CG 3.42Å; Q33-E37 PolarHBondContact O-N 2.85Å; W34-E37 PolarHBondContact O-N 3.45Å; E37-K202 WeakPolarHBondContact O-CD 3.43Å; E37-K202 WeakPolarHBondContact O-CE 3.22Å; E37-K202 PolarHBondContact O-NZ 3.2Å
38	N	79.3	Confident	70.7	Confident	6 Å²	6	70.2 Å²	70.2	3%	0.032	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	14.8	-179.5	-64.2	-85.3	0	0	0	113.4	W34 T36 V40 V203 H250	W34-N38 PolarHBondContact NE1-ND2 2.95Å; W34-N38 WeakPolarHBondContact O-CB 3.45Å; W34-N38 PolarHBondContact O-N 3.09Å; W34-N38 VanDerWaalsContact O-N 3.1Å; W34-N38 PolarHBondContact O-ND2 3.09Å; T36-N38 PolarHBondContact O-N 2.93Å; N38-V40 VanDerWaalsContact C-N 3.26Å; N38-V40 HydrophobicContact CB-CG2 4.11Å; N38-V40 PolarHBondContact O-N 3.34Å; N38-V203 WeakPolarHBondContact OD1-CB 3.38Å; N38-V203 WeakPolarHBondContact OD1-CG2 3.36Å; N38-V203 PolarHBondContact OD1-N 2.8Å; N38-H250 PolarHBondContact O-CD2 2.83Å
39	N	77.2	Confident	70.5	Confident	95 Å²	95	73.9 Å²	73.9	51%	0.508	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.6	43.3	178.1	-58.7	-31.8	0	0	0	113.3	E35 T36 E41 H250	E35-N39 PolarHBondContact O-N 2.74Å; T36-N39 PolarHBondContact O-N 3.27Å; N39-E41 PolarHBondContact O-N 2.94Å; N39-H250 PolarHBondContact O-N 3.25Å
40	V	72	Confident	70.4	Confident	21 Å²	21	74.8 Å²	74.8	13%	0.127	40%	0.397	C	S	.	.	B	Isolated β-bridge	trans	-79.1	105.5	179.1	-177.2	0	0	0	0	108.6	W34 E35 N38 S42 H250	W34-V40 HydrophobicContact CE3-CG2 4.38Å; W34-V40 HydrophobicContact CH2-CG2 4.37Å; W34-V40 HydrophobicContact CZ3-CG2 3.79Å; E35-V40 HydrophobicContact CB-CB 4.04Å; E35-V40 HydrophobicContact CB-CG2 4.42Å; E35-V40 HydrophobicContact CG-CB 4.19Å; E35-V40 HydrophobicContact CG-CG1 4.37Å; E35-V40 HydrophobicContact CG-CG2 4.45Å; E35-V40 PolarHBondContact O-N 3Å; N38-V40 VanDerWaalsContact C-N 3.26Å; N38-V40 HydrophobicContact CB-CG2 4.11Å; N38-V40 PolarHBondContact O-N 3.34Å; V40-S42 PolarHBondContact O-N 3.43Å; V40-H250 HydrophobicContact CG2-CB 4.3Å
41	E	67.4	Low	70.5	Confident	86 Å²	86	75.5 Å²	75.5	40%	0.402	39%	0.393	S	S	.	.			trans	-75.3	127.4	178.6	-71.3	176.3	-167.5	0	0	111	N39 I43 K78 H250	N39-E41 PolarHBondContact O-N 2.94Å; E41-I43 PolarHBondContact O-N 2.81Å; E41-K78 IonicContact OE1-NZ 3.79Å; E41-K78 PolarHBondContact OE1-NZ 3.22Å; E41-K78 IonicContact OE2-NZ 3.16Å; E41-K78 PolarHBondContact OE2-NZ 2.89Å; E41-H250 PolarHBondContact N-O 2.97Å
42	S	58	Low	70.8	Confident	93 Å²	93	78.9 Å²	78.9	65%	0.65	41%	0.409	S	S	*	.			trans	-81.3	99.3	163.1	-75	0	0	0	0	109	V40 L44	V40-S42 PolarHBondContact O-N 3.43Å; S42-L44 PolarHBondContact O-N 2.84Å
43	I	53.3	Low	70.6	Confident	38 Å²	38	75.9 Å²	75.9	20%	0.195	39%	0.394	C	S	.	.			trans	-71.3	115.7	-178.6	-59.1	150.1	0	0	0	109.4	E41 G45 V47 Y50 F251	E41-I43 PolarHBondContact O-N 2.81Å; I43-G45 VanDerWaalsContact C-N 3.33Å; I43-G45 PolarHBondContact O-N 3.31Å; I43-G45 VanDerWaalsContact O-N 3.09Å; I43-V47 HydrophobicContact CD1-CG1 4.27Å; I43-Y50 HydrophobicContact CD1-CD2 3.34Å; I43-Y50 HydrophobicContact CD1-CE2 3.27Å; I43-Y50 HydrophobicContact CG1-CD2 4.33Å; I43-Y50 HydrophobicContact CG1-CE2 3.77Å; I43-Y50 HydrophobicContact CG2-CE2 4.47Å; I43-F251 HydrophobicContact CD1-CB 3.67Å
44	L	45.4	Very low	70.7	Confident	185 Å²	185	74.1 Å²	74.1	97%	0.969	39%	0.388	S	S	*	.	S	Bend	trans	-79.7	80.6	171.1	-69.8	166.6	0	0	0	109.1	S42	S42-L44 PolarHBondContact O-N 2.84Å
45	G	56.7	Low	70.7	Confident	39 Å²	39	72.2 Å²	72.2	40%	0.402	39%	0.387	S	S	.	.	S	Bend	trans	179.1	-178.7	-179.7	0	0	0	0	0	109.6	I43 V47	I43-G45 VanDerWaalsContact C-N 3.33Å; I43-G45 PolarHBondContact O-N 3.31Å; I43-G45 VanDerWaalsContact O-N 3.09Å; G45-V47 PolarHBondContact O-N 3.1Å
46	P	56.3	Low	70.9	Confident	82 Å²	82	78.8 Å²	78.8	53%	0.532	42%	0.416	S	S	.	.			trans	-63.4	96.8	166.1	26.4	-27.7	0	0	0	106.7	D48 E49	P46-D48 PolarHBondContact O-N 3.45Å; P46-E49 VanDerWaalsContact O-CB 3.3Å; P46-E49 WeakPolarHBondContact O-CB 3.18Å; P46-E49 PolarHBondContact O-N 2.88Å
47	V	57.3	Low	71.2	Confident	33 Å²	33	78.3 Å²	78.3	20%	0.2	41%	0.408	C	S	.	.	G	3₁₀ helix	trans	-46.7	-26.4	-174.8	-172.6	0	0	0	0	112.8	I43 G45 E49 K252 V254	I43-V47 HydrophobicContact CD1-CG1 4.27Å; G45-V47 PolarHBondContact O-N 3.1Å; V47-E49 PolarHBondContact O-N 3.27Å; V47-K252 WeakPolarHBondContact CG1-O 3.25Å; V47-V254 HydrophobicContact CB-CG2 4.08Å; V47-V254 HydrophobicContact CG2-CG2 4.16Å
48	D	71.5	Confident	71.4	Confident	74 Å²	74	75.7 Å²	75.7	40%	0.396	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-73.4	-4.4	177.6	-57	-13.4	0	0	0	114	P46 Y50 F51 K52 S253 V254	P46-D48 PolarHBondContact O-N 3.45Å; D48-Y50 VanDerWaalsContact C-N 3.31Å; D48-Y50 PolarHBondContact O-N 3.07Å; D48-F51 WeakPolarHBondContact O-CA 3.35Å; D48-F51 WeakPolarHBondContact O-CB 3.3Å; D48-F51 PolarHBondContact O-N 2.91Å; D48-K52 PolarHBondContact O-N 2.67Å; D48-S253 VanDerWaalsContact OD1-CB 3.3Å; D48-S253 WeakPolarHBondContact OD1-CB 3.44Å; D48-V254 PolarHBondContact OD1-N 2.73Å
49	E	75.7	Confident	71.8	Confident	121 Å²	121	80.1 Å²	80.1	57%	0.565	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-60.9	-38.8	-179.6	-173.9	169.9	-175.7	0	0	112.2	P46 V47 F51 K52	P46-E49 VanDerWaalsContact O-CB 3.3Å; P46-E49 WeakPolarHBondContact O-CB 3.18Å; P46-E49 PolarHBondContact O-N 2.88Å; V47-E49 PolarHBondContact O-N 3.27Å; E49-F51 PolarHBondContact O-N 3.06Å; E49-F51 VanDerWaalsContact O-N 3.15Å; E49-K52 WeakPolarHBondContact O-CB 3.27Å; E49-K52 PolarHBondContact O-N 2.76Å
50	Y	77.9	Confident	72.4	Confident	64 Å²	64	78.7 Å²	78.7	25%	0.251	41%	0.414	S	S	.	.	G	3₁₀ helix	trans	-65.8	-15.6	172.9	-67.8	-47.6	0	0	0	113.5	I43 D48 K78 K106 I113 F251	I43-Y50 HydrophobicContact CD1-CD2 3.34Å; I43-Y50 HydrophobicContact CD1-CE2 3.27Å; I43-Y50 HydrophobicContact CG1-CD2 4.33Å; I43-Y50 HydrophobicContact CG1-CE2 3.77Å; I43-Y50 HydrophobicContact CG2-CE2 4.47Å; D48-Y50 VanDerWaalsContact C-N 3.31Å; D48-Y50 PolarHBondContact O-N 3.07Å; Y50-K78 HydrophobicContact CE1-CD 4.05Å; Y50-K78 HydrophobicContact CE2-CD 3.9Å; Y50-K78 WeakPolarHBondContact OH-CE 3.45Å; Y50-K106 WeakPolarHBondContact O-CE 3.36Å; Y50-K106 PolarHBondContact O-NZ 3.46Å; Y50-I113 HydrophobicContact CD1-CD1 3.79Å; Y50-I113 HydrophobicContact CE1-CD1 4.33Å; Y50-F251 HydrophobicContact CD2-CB 4.21Å; Y50-F251 HydrophobicContact CD2-CD2 4.06Å; Y50-F251 HydrophobicContact CD2-CG 4.05Å; Y50-F251 HydrophobicContact CG-CD2 4.38Å; Y50-F251 HydrophobicContact CG-CE2 4.49Å
51	F	77.9	Confident	73.2	Confident	56 Å²	56	78.7 Å²	78.7	25%	0.246	41%	0.413	C	S	.	.	G	3₁₀ helix	trans	-90.5	-17	171.3	-62.1	-92.6	0	0	0	112.5	D48 E49 Y53 V115 F251	D48-F51 WeakPolarHBondContact O-CA 3.35Å; D48-F51 WeakPolarHBondContact O-CB 3.3Å; D48-F51 PolarHBondContact O-N 2.91Å; E49-F51 PolarHBondContact O-N 3.06Å; E49-F51 VanDerWaalsContact O-N 3.15Å; F51-Y53 PolarHBondContact O-N 3.12Å; F51-V115 HydrophobicContact CD1-CB 4.47Å; F51-F251 HydrophobicContact CD2-CD2 4.37Å; F51-F251 AromaticContact CD2-CE2 3.92Å; F51-F251 HydrophobicContact CD2-CE2 3.92Å; F51-F251 HydrophobicContact CE1-CE2 4.05Å; F51-F251 AromaticContact CE2-CD2 3.64Å; F51-F251 HydrophobicContact CE2-CD2 3.64Å; F51-F251 AromaticContact CE2-CE2 3.41Å; F51-F251 HydrophobicContact CE2-CE2 3.41Å; F51-F251 VanDerWaalsContact CE2-CE2 3.41Å; F51-F251 HydrophobicContact CG-CE2 4.47Å; F51-F251 AromaticContact CZ-CD2 3.96Å; F51-F251 HydrophobicContact CZ-CD2 3.96Å; F51-F251 AromaticContact CZ-CE2 3.5Å; F51-F251 HydrophobicContact CZ-CE2 3.5Å; F51-F251 VanDerWaalsContact CZ-CE2 3.5Å
52	K	80.4	Confident	74.1	Confident	139 Å²	139	76.2 Å²	76.2	60%	0.604	40%	0.403	S	S	*	.			trans	-70.8	111	177	-67.5	-178.5	-179.2	175.3	0	111.9	D48 E49 K106	D48-K52 PolarHBondContact O-N 2.67Å; E49-K52 WeakPolarHBondContact O-CB 3.27Å; E49-K52 PolarHBondContact O-N 2.76Å; K52-K106 PolarHBondContact O-NZ 3.24Å
53	Y	77.4	Confident	75.8	Confident	38 Å²	38	77.9 Å²	77.9	15%	0.149	41%	0.405	C	S	.	.			trans	-90.4	110.8	177.7	-174.2	-109.8	0	0	0	111.5	F51 V55 H58 K106 T152 E153 N154	F51-Y53 PolarHBondContact O-N 3.12Å; Y53-V55 HydrophobicContact CD1-CG2 3.72Å; Y53-V55 HydrophobicContact CE1-CB 4.23Å; Y53-V55 HydrophobicContact CE1-CG2 3.52Å; Y53-H58 HydrophobicContact CE2-CB 4.1Å; Y53-H58 PolarHBondContact OH-CD2 2.79Å; Y53-H58 VanDerWaalsContact OH-CD2 3.25Å; Y53-K106 HydrophobicContact CD2-CB 3.75Å; Y53-K106 HydrophobicContact CD2-CD 3.67Å; Y53-K106 HydrophobicContact CD2-CG 4.36Å; Y53-K106 HydrophobicContact CE2-CB 3.64Å; Y53-K106 HydrophobicContact CE2-CD 4.42Å; Y53-T152 WeakPolarHBondContact CD1-OG1 3.3Å; Y53-T152 WeakPolarHBondContact CE1-O 3.35Å; Y53-E153 HydrophobicContact CD2-CG 4.02Å; Y53-E153 HydrophobicContact CG-CG 4.23Å; Y53-N154 PolarHBondContact OH-ND2 3.25Å
54	D	80.1	Confident	77.7	Confident	77 Å²	77	79.5 Å²	79.5	41%	0.412	42%	0.424	S	S	.	.			trans	-96.1	104.5	167	-171.5	-30.7	0	0	0	109.5	K56 I57 H58	D54-K56 PolarHBondContact O-N 2.97Å; D54-K56 WeakPolarHBondContact OD1-CA 3.24Å; D54-K56 WeakPolarHBondContact OD1-CB 3.43Å; D54-K56 PolarHBondContact OD1-N 2.7Å; D54-I57 HydrophobicContact CB-CB 4.08Å; D54-I57 HydrophobicContact CB-CD1 3.91Å; D54-I57 HydrophobicContact CB-CG1 4.06Å; D54-I57 PolarHBondContact O-N 3.05Å; D54-I57 PolarHBondContact OD1-N 3.44Å; D54-I57 WeakPolarHBondContact OD2-CD1 3.38Å; D54-H58 WeakPolarHBondContact O-CB 3.33Å; D54-H58 PolarHBondContact O-N 2.99Å
55	V	81	Confident	79.9	Confident	58 Å²	58	75.1 Å²	75.1	35%	0.352	40%	0.397	S	S	.	.	H	α-helix	trans	-54.7	-39.3	178.4	-178.8	0	0	0	0	111.5	Y53 Q59	Y53-V55 HydrophobicContact CD1-CG2 3.72Å; Y53-V55 HydrophobicContact CE1-CB 4.23Å; Y53-V55 HydrophobicContact CE1-CG2 3.52Å; V55-Q59 HydrophobicContact CG1-CG 4.32Å; V55-Q59 VanDerWaalsContact CG1-NE2 3.33Å; V55-Q59 VanDerWaalsContact O-CB 3.28Å; V55-Q59 WeakPolarHBondContact O-CB 3.38Å; V55-Q59 VanDerWaalsContact O-CG 3.25Å; V55-Q59 WeakPolarHBondContact O-CG 3.49Å; V55-Q59 PolarHBondContact O-N 3.42Å
56	K	85.4	Confident	81.8	Confident	170 Å²	170	74.8 Å²	74.8	74%	0.739	39%	0.388	S	S	*	.	H	α-helix	trans	-72.8	-41.9	-175.2	-64.2	-179.2	179.5	177.5	0	111.4	D54 S60	D54-K56 PolarHBondContact O-N 2.97Å; D54-K56 WeakPolarHBondContact OD1-CA 3.24Å; D54-K56 WeakPolarHBondContact OD1-CB 3.43Å; D54-K56 PolarHBondContact OD1-N 2.7Å; K56-S60 WeakPolarHBondContact O-CB 3.49Å; K56-S60 PolarHBondContact O-N 3.41Å; K56-S60 PolarHBondContact O-OG 3.36Å
57	I	84.9	Confident	83.5	Confident	94 Å²	94	71.6 Å²	71.6	48%	0.482	37%	0.365	S	S	.	.	H	α-helix	trans	-65.7	-43.7	175.9	-65.1	175.2	0	0	0	110.1	D54 S60 I61	D54-I57 HydrophobicContact CB-CB 4.08Å; D54-I57 HydrophobicContact CB-CD1 3.91Å; D54-I57 HydrophobicContact CB-CG1 4.06Å; D54-I57 PolarHBondContact O-N 3.05Å; D54-I57 PolarHBondContact OD1-N 3.44Å; D54-I57 WeakPolarHBondContact OD2-CD1 3.38Å; I57-S60 PolarHBondContact O-N 3.13Å; I57-S60 PolarHBondContact O-OG 2.98Å; I57-I61 HydrophobicContact CG2-CD1 4.17Å; I57-I61 WeakPolarHBondContact O-CG1 3.24Å; I57-I61 PolarHBondContact O-N 3.44Å
58	H	84.9	Confident	85.2	Confident	20 Å²	20	76.5 Å²	76.5	9%	0.093	39%	0.386	C	S	.	.	H	α-helix	trans	-59.7	-51.3	176.1	-179.7	68.5	0	0	0	111.1	Y53 D54 S60 I61 V62 V107	Y53-H58 HydrophobicContact CE2-CB 4.1Å; Y53-H58 PolarHBondContact OH-CD2 2.79Å; Y53-H58 VanDerWaalsContact OH-CD2 3.25Å; D54-H58 WeakPolarHBondContact O-CB 3.33Å; D54-H58 PolarHBondContact O-N 2.99Å; H58-S60 VanDerWaalsContact C-N 3.33Å; H58-S60 PolarHBondContact O-N 3.37Å; H58-I61 PolarHBondContact O-N 2.89Å; H58-V62 VanDerWaalsContact O-CG2 3.29Å; H58-V62 WeakPolarHBondContact O-CG2 3.39Å; H58-V62 PolarHBondContact O-N 3.04Å; H58-V107 WeakPolarHBondContact ND1-CG2 3.44Å; H58-V107 PolarHBondContact ND1-N 3.28Å
59	Q	86.9	Confident	86.2	Confident	99 Å²	99	82.4 Å²	82.4	46%	0.463	41%	0.408	S	S	.	.	H	α-helix	trans	-63.4	-34.9	179.3	-77	171.4	-2.5	0	0	113.1	V55 V62 N63	V55-Q59 HydrophobicContact CG1-CG 4.32Å; V55-Q59 VanDerWaalsContact CG1-NE2 3.33Å; V55-Q59 VanDerWaalsContact O-CB 3.28Å; V55-Q59 WeakPolarHBondContact O-CB 3.38Å; V55-Q59 VanDerWaalsContact O-CG 3.25Å; V55-Q59 WeakPolarHBondContact O-CG 3.49Å; V55-Q59 PolarHBondContact O-N 3.42Å; Q59-V62 PolarHBondContact O-N 3.33Å; Q59-N63 VanDerWaalsContact O-CB 3.27Å; Q59-N63 WeakPolarHBondContact O-CB 3.3Å; Q59-N63 PolarHBondContact O-N 2.79Å; Q59-N63 PolarHBondContact O-ND2 3.23Å
60	S	89.4	Confident	87.1	Confident	66 Å²	66	79.7 Å²	79.7	46%	0.462	40%	0.397	S	S	.	.	H	α-helix	trans	-65.2	-40.5	178.3	71.3	0	0	0	0	111.8	K56 I57 H58 A64	K56-S60 WeakPolarHBondContact O-CB 3.49Å; K56-S60 PolarHBondContact O-N 3.41Å; K56-S60 PolarHBondContact O-OG 3.36Å; I57-S60 PolarHBondContact O-N 3.13Å; I57-S60 PolarHBondContact O-OG 2.98Å; H58-S60 VanDerWaalsContact C-N 3.33Å; H58-S60 PolarHBondContact O-N 3.37Å; S60-A64 VanDerWaalsContact O-CB 3.28Å; S60-A64 WeakPolarHBondContact O-CB 3.34Å; S60-A64 PolarHBondContact O-N 3.39Å
61	I	88.8	Confident	87.8	Confident	20 Å²	20	77.5 Å²	77.5	10%	0.103	39%	0.391	C	S	.	.	H	α-helix	trans	-66.1	-45.8	174.6	-63.8	164.8	0	0	0	110.3	I57 H58 N63 A64 K65 P66 W67 V107	I57-I61 HydrophobicContact CG2-CD1 4.17Å; I57-I61 WeakPolarHBondContact O-CG1 3.24Å; I57-I61 PolarHBondContact O-N 3.44Å; H58-I61 PolarHBondContact O-N 2.89Å; I61-N63 VanDerWaalsContact C-N 3.32Å; I61-N63 PolarHBondContact O-N 3.16Å; I61-A64 PolarHBondContact O-N 2.75Å; I61-K65 PolarHBondContact O-N 2.61Å; I61-K65 VanDerWaalsContact O-N 3.08Å; I61-P66 HydrophobicContact CG2-CG 4.49Å; I61-P66 WeakPolarHBondContact O-CD 3.33Å; I61-W67 HydrophobicContact CG2-CZ3 4.03Å; I61-V107 HydrophobicContact CB-CG2 4.2Å; I61-V107 HydrophobicContact CD1-CG2 4.4Å; I61-V107 HydrophobicContact CG2-CG2 3.84Å
62	V	87.9	Confident	88.6	Confident	34 Å²	34	77.1 Å²	77.1	21%	0.206	39%	0.39	C	S	.	.	H	α-helix	trans	-62.2	-39.2	179.3	175.7	0	0	0	0	112.1	H58 Q59 K65 W67 V107 P186	H58-V62 VanDerWaalsContact O-CG2 3.29Å; H58-V62 WeakPolarHBondContact O-CG2 3.39Å; H58-V62 PolarHBondContact O-N 3.04Å; Q59-V62 PolarHBondContact O-N 3.33Å; V62-K65 WeakPolarHBondContact O-CG 3.12Å; V62-W67 HydrophobicContact CG2-CH2 4.44Å; V62-V107 HydrophobicContact CG2-CG2 4.45Å; V62-P186 HydrophobicContact CG2-CG 4.26Å
63	N	91.8	Very high	89.4	Confident	129 Å²	129	71.6 Å²	71.6	69%	0.69	37%	0.365	S	S	*	.	H	α-helix	trans	-72.4	-33.4	176.9	-68.6	-18.1	0	0	0	112.4	Q59 I61 K65	Q59-N63 VanDerWaalsContact O-CB 3.27Å; Q59-N63 WeakPolarHBondContact O-CB 3.3Å; Q59-N63 PolarHBondContact O-N 2.79Å; Q59-N63 PolarHBondContact O-ND2 3.23Å; I61-N63 VanDerWaalsContact C-N 3.32Å; I61-N63 PolarHBondContact O-N 3.16Å; N63-K65 VanDerWaalsContact C-N 3.32Å
64	A	93.2	Very high	90.3	Very high	71 Å²	71	69.9 Å²	69.9	59%	0.587	36%	0.359	S	S	*	.	H	α-helix	trans	-74	-23	179.1	0	0	0	0	0	113.4	S60 I61 P66	S60-A64 VanDerWaalsContact O-CB 3.28Å; S60-A64 WeakPolarHBondContact O-CB 3.34Å; S60-A64 PolarHBondContact O-N 3.39Å; I61-A64 PolarHBondContact O-N 2.75Å; A64-P66 VanDerWaalsContact C-CD 3.49Å
65	K	93.6	Very high	91.1	Very high	94 Å²	94	70.5 Å²	70.5	41%	0.409	36%	0.358	S	S	.	.			trans	42.6	52.1	178.7	-57.3	-171.5	-177.9	-176.9	0	114.5	I61 V62 N63 W67 E68	I61-K65 PolarHBondContact O-N 2.61Å; I61-K65 VanDerWaalsContact O-N 3.08Å; V62-K65 WeakPolarHBondContact O-CG 3.12Å; N63-K65 VanDerWaalsContact C-N 3.32Å; K65-W67 HydrophobicContact CB-CZ2 4.17Å; K65-W67 HydrophobicContact CG-CZ2 4.01Å; K65-W67 PolarHBondContact O-N 2.91Å; K65-W67 VanDerWaalsContact O-N 3.08Å; K65-E68 HydrophobicContact CB-CG 3.99Å; K65-E68 HydrophobicContact CD-CG 4.45Å; K65-E68 WeakPolarHBondContact CD-OE1 3.37Å; K65-E68 IonicContact NZ-OE1 3.71Å; K65-E68 WeakPolarHBondContact O-CB 3.38Å; K65-E68 PolarHBondContact O-N 3.38Å
66	P	94.6	Very high	91.9	Very high	31 Å²	31	71.9 Å²	71.9	20%	0.201	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-59.9	-25.7	-174.9	25.6	-36.1	0	0	0	113.6	I61 A64 E68 K69 D70 Y73	I61-P66 HydrophobicContact CG2-CG 4.49Å; I61-P66 WeakPolarHBondContact O-CD 3.33Å; A64-P66 VanDerWaalsContact C-CD 3.49Å; P66-E68 PolarHBondContact O-N 3.45Å; P66-K69 PolarHBondContact O-N 3.34Å; P66-K69 VanDerWaalsContact O-N 3.12Å; P66-D70 PolarHBondContact O-N 3.19Å; P66-Y73 HydrophobicContact CB-CD1 4.33Å; P66-Y73 HydrophobicContact CB-CD2 3.7Å; P66-Y73 HydrophobicContact CB-CE1 4.22Å; P66-Y73 HydrophobicContact CB-CE2 3.56Å; P66-Y73 HydrophobicContact CB-CG 4.07Å; P66-Y73 HydrophobicContact CG-CD1 3.77Å; P66-Y73 HydrophobicContact CG-CD2 3.95Å; P66-Y73 HydrophobicContact CG-CE1 3.37Å; P66-Y73 HydrophobicContact CG-CE2 3.58Å; P66-Y73 HydrophobicContact CG-CG 4.03Å
67	W	93.6	Very high	92.5	Very high	16 Å²	16	63.8 Å²	63.8	6%	0.061	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-64.7	-18.5	175.2	52.2	79.9	0	0	0	114.7	I61 V62 K65 K69 D70 Y73 F74 E185 P186	I61-W67 HydrophobicContact CG2-CZ3 4.03Å; V62-W67 HydrophobicContact CG2-CH2 4.44Å; K65-W67 HydrophobicContact CB-CZ2 4.17Å; K65-W67 HydrophobicContact CG-CZ2 4.01Å; K65-W67 PolarHBondContact O-N 2.91Å; K65-W67 VanDerWaalsContact O-N 3.08Å; W67-K69 PolarHBondContact O-N 2.78Å; W67-D70 VanDerWaalsContact CA-O 3.31Å; W67-D70 WeakPolarHBondContact CA-O 3.47Å; W67-D70 CarbonylContact O-C 3.35Å; W67-Y73 HydrophobicContact CE3-CD1 4.15Å; W67-Y73 HydrophobicContact CE3-CE1 4.38Å; W67-F74 HydrophobicContact CB-CE2 4.48Å; W67-F74 HydrophobicContact CD2-CE2 4.04Å; W67-F74 HydrophobicContact CE3-CD2 4.49Å; W67-F74 AromaticContact CE3-CE2 3.38Å; W67-F74 HydrophobicContact CE3-CE2 3.38Å; W67-F74 AromaticContact CE3-CZ 3.54Å; W67-F74 HydrophobicContact CE3-CZ 3.54Å; W67-F74 AromaticContact CZ3-CE2 3.82Å; W67-F74 HydrophobicContact CZ3-CE2 3.82Å; W67-F74 AromaticContact CZ3-CZ 3.55Å; W67-F74 HydrophobicContact CZ3-CZ 3.55Å; W67-E185 HydrophobicContact CD2-CG 4.33Å; W67-E185 HydrophobicContact CG-CG 4.43Å; W67-E185 HydrophobicContact CZ2-CB 4.38Å; W67-E185 HydrophobicContact CZ2-CG 3.83Å; W67-P186 HydrophobicContact CH2-CB 3.92Å; W67-P186 HydrophobicContact CH2-CG 3.86Å; W67-P186 HydrophobicContact CZ2-CB 4.38Å; W67-P186 HydrophobicContact CZ3-CB 4.09Å; W67-P186 HydrophobicContact CZ3-CG 4.24Å
68	E	91.9	Very high	93	Very high	135 Å²	135	60.2 Å²	60.2	63%	0.631	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-68.4	-26.1	173	-70.3	-178.7	173.2	0	0	111.7	K65 P66	K65-E68 HydrophobicContact CB-CG 3.99Å; K65-E68 HydrophobicContact CD-CG 4.45Å; K65-E68 WeakPolarHBondContact CD-OE1 3.37Å; K65-E68 IonicContact NZ-OE1 3.71Å; K65-E68 WeakPolarHBondContact O-CB 3.38Å; K65-E68 PolarHBondContact O-N 3.38Å; P66-E68 PolarHBondContact O-N 3.45Å
69	K	92.9	Very high	93.6	Very high	199 Å²	199	59.3 Å²	59.3	87%	0.865	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-31.2	177.6	-63.2	-179.8	-178.2	176.4	0	112.6	P66 W67	P66-K69 PolarHBondContact O-N 3.34Å; P66-K69 VanDerWaalsContact O-N 3.12Å; W67-K69 PolarHBondContact O-N 2.78Å
70	D	93.8	Very high	93.9	Very high	63 Å²	63	54.6 Å²	54.6	34%	0.337	28%	0.276	S	S	.	.			trans	-131.8	102.5	-179.9	177.8	10.6	0	0	0	109.9	P66 W67 H72 Y73	P66-D70 PolarHBondContact O-N 3.19Å; W67-D70 VanDerWaalsContact CA-O 3.31Å; W67-D70 WeakPolarHBondContact CA-O 3.47Å; W67-D70 CarbonylContact O-C 3.35Å; D70-H72 PolarHBondContact O-N 3.1Å; D70-H72 VanDerWaalsContact O-N 3.07Å; D70-H72 WeakPolarHBondContact OD1-CA 3.47Å; D70-H72 PolarHBondContact OD1-N 2.97Å; D70-Y73 WeakPolarHBondContact O-CB 3.17Å; D70-Y73 PolarHBondContact O-N 3.47Å; D70-Y73 PolarHBondContact OD2-N 3.39Å
71	P	93.5	Very high	94.1	Very high	19 Å²	19	52.1 Å²	52.1	12%	0.123	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-23.8	176.1	-29.3	38.5	0	0	0	114.1	Y211 P212 Y215 Y244	P71-Y211 HydrophobicContact CB-CD1 4.13Å; P71-P212 HydrophobicContact CG-CG 4.34Å; P71-Y215 HydrophobicContact CB-CE1 4.29Å; P71-Y215 HydrophobicContact CB-CE2 4.46Å; P71-Y215 HydrophobicContact CG-CD1 4.49Å; P71-Y215 HydrophobicContact CG-CD2 3.81Å; P71-Y215 HydrophobicContact CG-CE1 4.33Å; P71-Y215 HydrophobicContact CG-CE2 3.67Å; P71-Y215 HydrophobicContact CG-CG 4.22Å; P71-Y244 WeakPolarHBondContact O-CE1 3.37Å; P71-Y244 PolarHBondContact O-OH 3.03Å
72	H	94.5	Very high	94.2	Very high	47 Å²	47	53.4 Å²	53.4	22%	0.218	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	19.4	176.7	-67	97.2	0	0	0	113.2	D70 F74 K75 Y211 Y244	D70-H72 PolarHBondContact O-N 3.1Å; D70-H72 VanDerWaalsContact O-N 3.07Å; D70-H72 WeakPolarHBondContact OD1-CA 3.47Å; D70-H72 PolarHBondContact OD1-N 2.97Å; H72-F74 VanDerWaalsContact C-N 3.27Å; H72-F74 PolarHBondContact O-N 3.46Å; H72-K75 WeakPolarHBondContact O-CE 2.81Å; H72-K75 VanDerWaalsContact O-CG 3.29Å; H72-K75 WeakPolarHBondContact O-CG 3.4Å; H72-Y211 AromaticContact CE1-CE1 3.39Å; H72-Y211 WeakPolarHBondContact CE1-CE1 3.28Å; H72-Y211 AromaticContact CE1-CZ 3.78Å; H72-Y211 PolarHBondContact CE1-OH 2.69Å; H72-Y211 VanDerWaalsContact CE1-OH 3.31Å; H72-Y211 AromaticContact NE2-CE1 3.43Å; H72-Y211 WeakPolarHBondContact NE2-CE1 3.32Å; H72-Y211 AromaticContact NE2-CZ 3.58Å; H72-Y211 PolarHBondContact NE2-OH 2.86Å; H72-Y244 AromaticContact CD2-CD2 3.9Å; H72-Y244 AromaticContact CD2-CG 3.76Å; H72-Y244 AromaticContact NE2-CG 3.96Å
73	Y	96.4	Very high	94.5	Very high	24 Å²	24	51.8 Å²	51.8	9%	0.094	26%	0.259	C	S	.	.			trans	-55.7	-42.6	179.4	175.2	-100.4	0	0	0	112.2	P66 W67 D70 K75 H109 Q110	P66-Y73 HydrophobicContact CB-CD1 4.33Å; P66-Y73 HydrophobicContact CB-CD2 3.7Å; P66-Y73 HydrophobicContact CB-CE1 4.22Å; P66-Y73 HydrophobicContact CB-CE2 3.56Å; P66-Y73 HydrophobicContact CB-CG 4.07Å; P66-Y73 HydrophobicContact CG-CD1 3.77Å; P66-Y73 HydrophobicContact CG-CD2 3.95Å; P66-Y73 HydrophobicContact CG-CE1 3.37Å; P66-Y73 HydrophobicContact CG-CE2 3.58Å; P66-Y73 HydrophobicContact CG-CG 4.03Å; W67-Y73 HydrophobicContact CE3-CD1 4.15Å; W67-Y73 HydrophobicContact CE3-CE1 4.38Å; D70-Y73 WeakPolarHBondContact O-CB 3.17Å; D70-Y73 PolarHBondContact O-N 3.47Å; D70-Y73 PolarHBondContact OD2-N 3.39Å; Y73-K75 PolarHBondContact O-N 3.44Å; Y73-H109 WeakPolarHBondContact CE1-O 3.44Å; Y73-H109 VanDerWaalsContact CZ-O 3.23Å; Y73-H109 WeakPolarHBondContact OH-CA 3.49Å; Y73-H109 PolarHBondContact OH-ND1 3.24Å; Y73-H109 PolarHBondContact OH-O 3.45Å; Y73-Q110 HydrophobicContact CD2-CG 4.11Å; Y73-Q110 HydrophobicContact CE2-CG 3.87Å; Y73-Q110 WeakPolarHBondContact O-CA 3.32Å; Y73-Q110 WeakPolarHBondContact O-CB 3.31Å; Y73-Q110 WeakPolarHBondContact O-CG 3.23Å
74	F	97.6	Very high	94.7	Very high	1 Å²	1	45.9 Å²	45.9	0%	0.004	23%	0.227	C	C	.	.			trans	-84.8	114.7	172.9	-66.9	-66.5	0	0	0	109.9	W67 H72 V107 Q110 M112 P186 Y244 L246	W67-F74 HydrophobicContact CB-CE2 4.48Å; W67-F74 HydrophobicContact CD2-CE2 4.04Å; W67-F74 HydrophobicContact CE3-CD2 4.49Å; W67-F74 AromaticContact CE3-CE2 3.38Å; W67-F74 HydrophobicContact CE3-CE2 3.38Å; W67-F74 AromaticContact CE3-CZ 3.54Å; W67-F74 HydrophobicContact CE3-CZ 3.54Å; W67-F74 AromaticContact CZ3-CE2 3.82Å; W67-F74 HydrophobicContact CZ3-CE2 3.82Å; W67-F74 AromaticContact CZ3-CZ 3.55Å; W67-F74 HydrophobicContact CZ3-CZ 3.55Å; H72-F74 VanDerWaalsContact C-N 3.27Å; H72-F74 PolarHBondContact O-N 3.46Å; F74-V107 HydrophobicContact CE1-CB 3.96Å; F74-V107 HydrophobicContact CE1-CG1 3.75Å; F74-V107 HydrophobicContact CZ-CB 4.25Å; F74-V107 HydrophobicContact CZ-CG1 3.8Å; F74-Q110 WeakPolarHBondContact CA-O 3.38Å; F74-M112 HydrophobicContact CB-CG 4.31Å; F74-M112 HydrophobicContact CB-SD 4.35Å; F74-M112 HydrophobicContact CD1-CE 4.48Å; F74-M112 HydrophobicContact CD1-CG 3.58Å; F74-M112 HydrophobicContact CD1-SD 4.37Å; F74-M112 HydrophobicContact CD2-CE 4.02Å; F74-M112 HydrophobicContact CD2-SD 4.39Å; F74-M112 HydrophobicContact CE1-CE 4.48Å; F74-M112 HydrophobicContact CE1-CG 4Å; F74-M112 HydrophobicContact CE2-CE 4Å; F74-M112 HydrophobicContact CG-CE 4.26Å; F74-M112 HydrophobicContact CG-CG 3.92Å; F74-M112 HydrophobicContact CG-SD 4.12Å; F74-M112 HydrophobicContact CZ-CE 4.23Å; F74-P186 HydrophobicContact CE2-CB 3.64Å; F74-P186 HydrophobicContact CZ-CB 3.69Å; F74-P186 HydrophobicContact CZ-CG 4.32Å; F74-Y244 VanDerWaalsContact O-CE2 3.27Å; F74-Y244 WeakPolarHBondContact O-CE2 3.2Å; F74-L246 HydrophobicContact CB-CD2 4.1Å
75	K	97.1	Very high	94.8	Very high	91 Å²	91	46.1 Å²	46.1	40%	0.396	22%	0.218	S	C	.	.			trans	-110	-26.7	-179.2	-62.4	177.3	-176.9	154.2	0	112.6	H72 Y73 Q110 L246 E247	H72-K75 WeakPolarHBondContact O-CE 2.81Å; H72-K75 VanDerWaalsContact O-CG 3.29Å; H72-K75 WeakPolarHBondContact O-CG 3.4Å; Y73-K75 PolarHBondContact O-N 3.44Å; K75-Q110 VanDerWaalsContact CE-OE1 3.28Å; K75-Q110 PolarHBondContact N-O 2.91Å; K75-L246 CarbonylContact O-C 3.55Å; K75-L246 WeakPolarHBondContact O-CA 3.41Å; K75-E247 PolarHBondContact O-N 3.28Å
76	W	97.8	Very high	94.8	Very high	86 Å²	86	45.8 Å²	45.8	33%	0.326	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	146.8	-172.5	-58.9	-77.2	0	0	0	111.4	Q110 T111 M112 E247	W76-Q110 HydrophobicContact CE3-CB 3.81Å; W76-Q110 HydrophobicContact CZ3-CB 3.6Å; W76-Q110 HydrophobicContact CZ3-CG 4.4Å; W76-Q110 PolarHBondContact N-O 2.89Å; W76-T111 HydrophobicContact CB-CG2 4.01Å; W76-T111 CarbonylContact O-C 3.46Å; W76-T111 WeakPolarHBondContact O-CA 3.45Å; W76-M112 PolarHBondContact O-N 3.37Å; W76-E247 WeakPolarHBondContact CA-O 3.29Å; W76-E247 VanDerWaalsContact CD1-OE2 3.32Å; W76-E247 PolarHBondContact NE1-OE2 3.25Å
77	I	97.7	Very high	94.9	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	132.7	165	-169.8	167	0	0	0	109.9	I79 M112 V114 V188 I190 A207 L246 E247 V248 S249	I77-I79 HydrophobicContact CD1-CG1 4.48Å; I77-I79 HydrophobicContact CG1-CG1 4.17Å; I77-M112 CarbonylContact C-O 3.59Å; I77-M112 VanDerWaalsContact CA-O 3.25Å; I77-M112 WeakPolarHBondContact CA-O 3.3Å; I77-M112 HydrophobicContact CB-CB 4.49Å; I77-M112 HydrophobicContact CG1-CB 4.16Å; I77-M112 WeakPolarHBondContact CG1-O 3.33Å; I77-V114 HydrophobicContact CD1-CG2 3.93Å; I77-V114 HydrophobicContact CG1-CG2 4.24Å; I77-V188 HydrophobicContact CD1-CG1 4Å; I77-V188 HydrophobicContact CD1-CG2 4.09Å; I77-I190 HydrophobicContact CD1-CD1 3.8Å; I77-I190 HydrophobicContact CD1-CG1 4.12Å; I77-A207 HydrophobicContact CB-CB 4.44Å; I77-A207 HydrophobicContact CD1-CB 4.05Å; I77-A207 HydrophobicContact CG2-CB 3.57Å; I77-L246 HydrophobicContact CB-CB 4.34Å; I77-L246 HydrophobicContact CB-CD2 4.21Å; I77-L246 HydrophobicContact CG2-CB 4.13Å; I77-E247 PolarHBondContact N-O 3.37Å; I77-V248 HydrophobicContact CG2-CB 4.11Å; I77-V248 HydrophobicContact CG2-CG1 4.33Å; I77-V248 HydrophobicContact CG2-CG2 3.67Å; I77-S249 PolarHBondContact O-N 3.43Å; I77-S249 PolarHBondContact O-OG 3.36Å
78	K	96	Very high	95	Very high	20 Å²	20	45 Å²	45	9%	0.087	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	123.6	173.9	-73.4	-170.1	-179.1	-66.3	0	108.4	E41 Y50 T111 M112 I113 V114 S249 F251	E41-K78 IonicContact OE1-NZ 3.79Å; E41-K78 PolarHBondContact OE1-NZ 3.22Å; E41-K78 IonicContact OE2-NZ 3.16Å; E41-K78 PolarHBondContact OE2-NZ 2.89Å; Y50-K78 HydrophobicContact CE1-CD 4.05Å; Y50-K78 HydrophobicContact CE2-CD 3.9Å; Y50-K78 WeakPolarHBondContact OH-CE 3.45Å; K78-T111 HydrophobicContact CB-CG2 4.37Å; K78-T111 HydrophobicContact CD-CG2 4.25Å; K78-T111 HydrophobicContact CG-CG2 3.95Å; K78-M112 PolarHBondContact N-O 3.03Å; K78-I113 HydrophobicContact CB-CG1 4.4Å; K78-I113 CarbonylContact O-C 3.58Å; K78-I113 WeakPolarHBondContact O-CA 3.38Å; K78-V114 PolarHBondContact O-N 3.1Å; K78-S249 WeakPolarHBondContact CA-O 3.43Å; K78-S249 VanDerWaalsContact CG-OG 3.32Å; K78-S249 WeakPolarHBondContact CG-OG 3.27Å; K78-S249 PolarHBondContact NZ-OG 3.46Å; K78-F251 HydrophobicContact CB-CD1 3.81Å; K78-F251 HydrophobicContact CB-CE1 3.91Å
79	I	96.6	Very high	95.1	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	128.2	-177.8	-53.6	171.4	0	0	0	109.3	I77 A83 L84 M87 V114 I190 L205 V248 S249 H250 F251	I77-I79 HydrophobicContact CD1-CG1 4.48Å; I77-I79 HydrophobicContact CG1-CG1 4.17Å; I79-A83 HydrophobicContact CG2-CB 4.01Å; I79-L84 HydrophobicContact CG2-CB 4.16Å; I79-M87 HydrophobicContact CG2-CE 3.81Å; I79-V114 HydrophobicContact CG1-CB 4.38Å; I79-V114 HydrophobicContact CG1-CG2 4.48Å; I79-V114 HydrophobicContact CG2-CB 4.4Å; I79-V114 HydrophobicContact CG2-CG1 4.41Å; I79-I190 HydrophobicContact CD1-CD1 3.67Å; I79-I190 HydrophobicContact CG1-CD1 4.23Å; I79-L205 HydrophobicContact CD1-CD1 3.88Å; I79-L205 HydrophobicContact CD1-CD2 3.72Å; I79-V248 HydrophobicContact CD1-CG1 3.82Å; I79-S249 PolarHBondContact N-O 2.73Å; I79-H250 WeakPolarHBondContact O-CA 3.46Å; I79-F251 VanDerWaalsContact C-CE1 3.41Å; I79-F251 WeakPolarHBondContact O-CD1 3.29Å; I79-F251 PolarHBondContact O-N 3.3Å
80	S	94	Very high	95.2	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	146.3	175.4	81.1	0	0	0	0	110.7	V82 A83 L84 V114 V115 F251	S80-V82 PolarHBondContact O-N 3.48Å; S80-A83 PolarHBondContact O-N 3.31Å; S80-A83 VanDerWaalsContact O-N 3.12Å; S80-A83 VanDerWaalsContact OG-CB 3.32Å; S80-A83 WeakPolarHBondContact OG-CB 3.3Å; S80-A83 PolarHBondContact OG-N 2.76Å; S80-L84 WeakPolarHBondContact O-CB 3.4Å; S80-L84 PolarHBondContact O-N 3.22Å; S80-V114 PolarHBondContact N-O 3.23Å; S80-V115 WeakPolarHBondContact CB-O 3.47Å; S80-V115 VanDerWaalsContact OG-C 3.32Å; S80-V115 PolarHBondContact OG-O 2.9Å; S80-F251 CarbonylContact C-O 3.43Å; S80-F251 VanDerWaalsContact CA-O 3.31Å; S80-F251 WeakPolarHBondContact CA-O 3.45Å; S80-F251 VanDerWaalsContact N-CE1 3.26Å
81	A	92.5	Very high	95.2	Very high	15 Å²	15	33 Å²	33	12%	0.124	16%	0.16	C	C	.	.	H	α-helix	trans	-58	-32.3	177.3	0	0	0	0	0	112.3	L85 F251 K252 L260	A81-L85 WeakPolarHBondContact O-CB 3.43Å; A81-L85 VanDerWaalsContact O-CG 3.26Å; A81-L85 WeakPolarHBondContact O-CG 3.33Å; A81-L85 PolarHBondContact O-N 3.09Å; A81-F251 PolarHBondContact N-O 2.94Å; A81-K252 HydrophobicContact CB-CB 3.91Å; A81-L260 HydrophobicContact CB-CD1 3.93Å
82	V	90.9	Very high	95.2	Very high	46 Å²	46	40.4 Å²	40.4	28%	0.279	19%	0.185	S	C	.	.	H	α-helix	trans	-67.5	-48.4	175.6	176	0	0	0	0	111.2	S80 L84 L85 K86 D256	S80-V82 PolarHBondContact O-N 3.48Å; V82-L84 VanDerWaalsContact C-N 3.31Å; V82-L84 PolarHBondContact O-N 2.87Å; V82-L85 PolarHBondContact O-N 3.35Å; V82-K86 HydrophobicContact CG1-CD 4.19Å; V82-K86 WeakPolarHBondContact O-CB 3.35Å; V82-K86 WeakPolarHBondContact O-CG 3.38Å; V82-K86 PolarHBondContact O-N 2.93Å; V82-D256 VanDerWaalsContact CG2-OD1 3.3Å; V82-D256 WeakPolarHBondContact CG2-OD1 3.29Å
83	A	95.1	Very high	95.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-59.7	-45.5	177	0	0	0	0	0	110.6	I79 S80 K86 M87 V114 S117	I79-A83 HydrophobicContact CG2-CB 4.01Å; S80-A83 PolarHBondContact O-N 3.31Å; S80-A83 VanDerWaalsContact O-N 3.12Å; S80-A83 VanDerWaalsContact OG-CB 3.32Å; S80-A83 WeakPolarHBondContact OG-CB 3.3Å; S80-A83 PolarHBondContact OG-N 2.76Å; A83-K86 PolarHBondContact O-N 2.87Å; A83-M87 VanDerWaalsContact O-CG 3.24Å; A83-M87 WeakPolarHBondContact O-CG 3.45Å; A83-M87 PolarHBondContact O-N 3.43Å; A83-V114 HydrophobicContact CB-CG1 3.81Å; A83-S117 PolarHBondContact O-OG 3.47Å
84	L	96.2	Very high	94.8	Very high	6 Å²	6	42 Å²	42	3%	0.031	21%	0.208	C	C	.	.	H	α-helix	trans	-57.1	-52	177.8	-172.8	64	0	0	0	111.7	I79 S80 V82 K86 M87 L88 V203 L205	I79-L84 HydrophobicContact CG2-CB 4.16Å; S80-L84 WeakPolarHBondContact O-CB 3.4Å; S80-L84 PolarHBondContact O-N 3.22Å; V82-L84 VanDerWaalsContact C-N 3.31Å; V82-L84 PolarHBondContact O-N 2.87Å; L84-K86 PolarHBondContact O-N 3.27Å; L84-M87 PolarHBondContact O-N 3.34Å; L84-L88 HydrophobicContact CD1-CD1 4.36Å; L84-L88 HydrophobicContact CG-CD1 4.02Å; L84-L88 WeakPolarHBondContact O-CB 3.42Å; L84-L88 VanDerWaalsContact O-CG 3.32Å; L84-L88 WeakPolarHBondContact O-CG 3.26Å; L84-L88 PolarHBondContact O-N 3.24Å; L84-V203 HydrophobicContact CD1-CG1 4.01Å; L84-L205 HydrophobicContact CD1-CD1 3.56Å
85	L	93.5	Very high	94.4	Very high	75 Å²	75	43.8 Å²	43.8	39%	0.393	23%	0.226	S	C	.	.	H	α-helix	trans	-62	-43.5	179.5	-77	171.6	0	0	0	112.3	A81 V82 L88 I89 L260	A81-L85 WeakPolarHBondContact O-CB 3.43Å; A81-L85 VanDerWaalsContact O-CG 3.26Å; A81-L85 WeakPolarHBondContact O-CG 3.33Å; A81-L85 PolarHBondContact O-N 3.09Å; V82-L85 PolarHBondContact O-N 3.35Å; L85-L88 PolarHBondContact O-N 3.1Å; L85-I89 WeakPolarHBondContact O-CB 3.26Å; L85-I89 WeakPolarHBondContact O-CD1 3.22Å; L85-I89 VanDerWaalsContact O-CG1 3.26Å; L85-I89 WeakPolarHBondContact O-CG1 3.37Å; L85-I89 PolarHBondContact O-N 3.36Å; L85-L260 HydrophobicContact CD1-CD2 3.78Å
86	K	95.3	Very high	94	Very high	87 Å²	87	45.3 Å²	45.3	38%	0.378	24%	0.238	S	C	.	.	H	α-helix	trans	-60.5	-46.3	177.1	-77.1	179.3	-179.9	-177.2	0	111.7	V82 A83 L84 I89 H90 D116 S117	V82-K86 HydrophobicContact CG1-CD 4.19Å; V82-K86 WeakPolarHBondContact O-CB 3.35Å; V82-K86 WeakPolarHBondContact O-CG 3.38Å; V82-K86 PolarHBondContact O-N 2.93Å; A83-K86 PolarHBondContact O-N 2.87Å; L84-K86 PolarHBondContact O-N 3.27Å; K86-I89 PolarHBondContact O-N 2.7Å; K86-H90 WeakPolarHBondContact O-CB 3.35Å; K86-H90 PolarHBondContact O-N 3.49Å; K86-D116 WeakPolarHBondContact CD-OD1 3.46Å; K86-D116 WeakPolarHBondContact CE-OD1 3.32Å; K86-D116 VanDerWaalsContact NZ-CG 3.26Å; K86-D116 IonicContact NZ-OD1 3.71Å; K86-D116 PolarHBondContact NZ-OD1 3.16Å; K86-D116 IonicContact NZ-OD2 2.73Å; K86-D116 PolarHBondContact NZ-OD2 3.47Å; K86-D116 VanDerWaalsContact NZ-OD2 3.07Å; K86-S117 WeakPolarHBondContact CB-OG 3.46Å; K86-S117 WeakPolarHBondContact CD-O 3.39Å
87	M	96.7	Very high	93.6	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-64.5	-41.5	178.2	-64.4	-176.5	-70	0	0	111.5	I79 A83 L84 H90 A91 L103 S117 Y159 I190 I192 L205	I79-M87 HydrophobicContact CG2-CE 3.81Å; A83-M87 VanDerWaalsContact O-CG 3.24Å; A83-M87 WeakPolarHBondContact O-CG 3.45Å; A83-M87 PolarHBondContact O-N 3.43Å; L84-M87 PolarHBondContact O-N 3.34Å; M87-H90 PolarHBondContact O-N 2.81Å; M87-A91 VanDerWaalsContact O-CB 3.28Å; M87-A91 WeakPolarHBondContact O-CB 3.37Å; M87-A91 PolarHBondContact O-N 3.49Å; M87-L103 HydrophobicContact CE-CD2 4.46Å; M87-L103 HydrophobicContact SD-CD2 3.53Å; M87-L103 VanDerWaalsContact SD-CD2 3.53Å; M87-S117 WeakPolarHBondContact CG-OG 3.26Å; M87-Y159 HydrophobicContact CB-CD2 4.14Å; M87-Y159 HydrophobicContact CB-CE2 4Å; M87-Y159 HydrophobicContact CG-CD1 3.75Å; M87-Y159 HydrophobicContact CG-CD2 3.94Å; M87-Y159 HydrophobicContact CG-CE1 3.72Å; M87-Y159 HydrophobicContact CG-CE2 3.91Å; M87-Y159 HydrophobicContact CG-CG 3.86Å; M87-Y159 HydrophobicContact SD-CD1 3.71Å; M87-Y159 HydrophobicContact SD-CD2 4.15Å; M87-Y159 HydrophobicContact SD-CE1 4.3Å; M87-Y159 HydrophobicContact SD-CG 3.62Å; M87-I190 HydrophobicContact CE-CD1 4.44Å; M87-I190 HydrophobicContact SD-CG2 4.37Å; M87-I192 HydrophobicContact CB-CD1 3.3Å; M87-I192 HydrophobicContact CE-CD1 4.26Å; M87-I192 HydrophobicContact CG-CD1 4.12Å; M87-I192 HydrophobicContact SD-CD1 3.9Å; M87-L205 HydrophobicContact CE-CD1 4.24Å
88	L	95.4	Very high	93.2	Very high	31 Å²	31	46.4 Å²	46.4	16%	0.162	25%	0.249	C	C	.	.	H	α-helix	trans	-65.5	-42.2	177.5	-75	170.8	0	0	0	112.9	L84 L85 H90 R92 I192 T197 V203	L84-L88 HydrophobicContact CD1-CD1 4.36Å; L84-L88 HydrophobicContact CG-CD1 4.02Å; L84-L88 WeakPolarHBondContact O-CB 3.42Å; L84-L88 VanDerWaalsContact O-CG 3.32Å; L84-L88 WeakPolarHBondContact O-CG 3.26Å; L84-L88 PolarHBondContact O-N 3.24Å; L85-L88 PolarHBondContact O-N 3.1Å; L88-H90 VanDerWaalsContact C-N 3.31Å; L88-R92 VanDerWaalsContact O-CB 3.22Å; L88-R92 WeakPolarHBondContact O-CB 3.39Å; L88-R92 PolarHBondContact O-N 2.87Å; L88-I192 HydrophobicContact CD2-CG2 3.8Å; L88-T197 HydrophobicContact CD2-CG2 4.02Å; L88-V203 HydrophobicContact CD1-CG1 4.25Å; L88-V203 HydrophobicContact CD1-CG2 3.75Å; L88-V203 HydrophobicContact CD2-CG1 4.12Å
89	I	94.5	Very high	93	Very high	115 Å²	115	46 Å²	46	59%	0.59	25%	0.248	S	C	*	.	H	α-helix	trans	-61.1	-44.5	174.8	-72.2	160.9	0	0	0	109.7	L85 K86 R92 S93	L85-I89 WeakPolarHBondContact O-CB 3.26Å; L85-I89 WeakPolarHBondContact O-CD1 3.22Å; L85-I89 VanDerWaalsContact O-CG1 3.26Å; L85-I89 WeakPolarHBondContact O-CG1 3.37Å; L85-I89 PolarHBondContact O-N 3.36Å; K86-I89 PolarHBondContact O-N 2.7Å; I89-R92 PolarHBondContact O-N 3.35Å; I89-S93 WeakPolarHBondContact O-CB 3.3Å; I89-S93 PolarHBondContact O-N 2.97Å
90	H	94.4	Very high	92.7	Very high	30 Å²	30	46.5 Å²	46.5	14%	0.139	25%	0.251	C	S	.	.	H	α-helix	trans	-65.3	-51.6	178.9	-175.4	-147.2	0	0	0	112.2	K86 M87 L88 R92 S93 G94 M100 P119 Y159	K86-H90 WeakPolarHBondContact O-CB 3.35Å; K86-H90 PolarHBondContact O-N 3.49Å; M87-H90 PolarHBondContact O-N 2.81Å; L88-H90 VanDerWaalsContact C-N 3.31Å; H90-R92 VanDerWaalsContact C-N 3.26Å; H90-R92 PolarHBondContact O-N 3.26Å; H90-S93 WeakPolarHBondContact O-CA 3.07Å; H90-S93 WeakPolarHBondContact O-CB 3.49Å; H90-S93 PolarHBondContact O-N 2.96Å; H90-S93 PolarHBondContact O-OG 2.87Å; H90-G94 PolarHBondContact O-N 3.31Å; H90-G94 VanDerWaalsContact O-N 3.15Å; H90-M100 PolarHBondContact CE1-O 2.84Å; H90-M100 VanDerWaalsContact CE1-O 3.28Å; H90-P119 WeakPolarHBondContact CE1-CB 3.24Å; H90-Y159 AromaticContact ND1-CE2 3.69Å; H90-Y159 AromaticContact ND1-CZ 3.64Å; H90-Y159 PolarHBondContact ND1-OH 2.96Å
91	A	94.3	Very high	92.6	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.008	25%	0.251	C	S	.	.	H	α-helix	trans	-56.4	-41.1	177.1	0	0	0	0	0	111.7	M87 G94 V99 I192 P194	M87-A91 VanDerWaalsContact O-CB 3.28Å; M87-A91 WeakPolarHBondContact O-CB 3.37Å; M87-A91 PolarHBondContact O-N 3.49Å; A91-G94 PolarHBondContact O-N 3.04Å; A91-V99 HydrophobicContact CB-CG2 4.47Å; A91-I192 HydrophobicContact CB-CG2 4.11Å; A91-P194 HydrophobicContact CB-CB 3.95Å; A91-P194 HydrophobicContact CB-CG 4.04Å
92	R	92.3	Very high	92.5	Very high	174 Å²	174	46 Å²	46	66%	0.657	25%	0.246	S	C	*	.	H	α-helix	trans	-65.4	-38.1	174.2	-178.5	176.3	179.3	161.2	2.7	112.6	L88 I89 H90 G94 G95 I198	L88-R92 VanDerWaalsContact O-CB 3.22Å; L88-R92 WeakPolarHBondContact O-CB 3.39Å; L88-R92 PolarHBondContact O-N 2.87Å; I89-R92 PolarHBondContact O-N 3.35Å; H90-R92 VanDerWaalsContact C-N 3.26Å; H90-R92 PolarHBondContact O-N 3.26Å; R92-G94 VanDerWaalsContact C-N 3.25Å; R92-G94 PolarHBondContact O-N 3.39Å; R92-G95 PolarHBondContact O-N 3.04Å; R92-I198 HydrophobicContact CG-CD1 4.33Å
93	S	92.2	Very high	92.7	Very high	89 Å²	89	43.8 Å²	43.8	62%	0.622	23%	0.233	S	C	*	.	H	α-helix	trans	-67.6	-25.3	180	71.6	0	0	0	0	113.5	I89 H90 G95	I89-S93 WeakPolarHBondContact O-CB 3.3Å; I89-S93 PolarHBondContact O-N 2.97Å; H90-S93 WeakPolarHBondContact O-CA 3.07Å; H90-S93 WeakPolarHBondContact O-CB 3.49Å; H90-S93 PolarHBondContact O-N 2.96Å; H90-S93 PolarHBondContact O-OG 2.87Å; S93-G95 PolarHBondContact O-N 2.97Å
94	G	90.6	Very high	92.5	Very high	16 Å²	16	43.9 Å²	43.9	17%	0.165	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-14.1	173.6	0	0	0	0	0	114.5	H90 A91 R92 N96 L97	H90-G94 PolarHBondContact O-N 3.31Å; H90-G94 VanDerWaalsContact O-N 3.15Å; A91-G94 PolarHBondContact O-N 3.04Å; R92-G94 VanDerWaalsContact C-N 3.25Å; R92-G94 PolarHBondContact O-N 3.39Å; G94-N96 PolarHBondContact O-N 3.14Å; G94-N96 VanDerWaalsContact O-N 3.12Å; G94-L97 WeakPolarHBondContact O-CB 3.33Å; G94-L97 PolarHBondContact O-N 3.34Å
95	G	89	Confident	92.3	Very high	37 Å²	37	43.6 Å²	43.6	38%	0.381	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.3	-113.4	-176.3	0	0	0	0	0	111.4	R92 S93	R92-G95 PolarHBondContact O-N 3.04Å; S93-G95 PolarHBondContact O-N 2.97Å
96	N	89.1	Confident	92.3	Very high	123 Å²	123	40.7 Å²	40.7	66%	0.658	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.1	2	177.6	-63	-26.8	0	0	0	113.1	G94 P163	G94-N96 PolarHBondContact O-N 3.14Å; G94-N96 VanDerWaalsContact O-N 3.12Å; N96-P163 WeakPolarHBondContact O-CG 3.23Å
97	L	89.5	Confident	92.1	Very high	88 Å²	88	36.8 Å²	36.8	46%	0.461	20%	0.199	S	C	.	.	S	Bend	trans	-88.7	147.7	175.9	-59.3	177.4	0	0	0	110.4	G94 V99 S161	G94-L97 WeakPolarHBondContact O-CB 3.33Å; G94-L97 PolarHBondContact O-N 3.34Å; L97-V99 PolarHBondContact O-N 3.39Å; L97-S161 PolarHBondContact O-OG 3.32Å
98	E	90.1	Very high	91.8	Very high	22 Å²	22	38.6 Å²	38.6	10%	0.103	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	121.9	171.5	-57.2	-166.7	157.2	0	0	109.3	G124 S161 H162	E98-G124 CarbonylContact O-C 3.54Å; E98-G124 WeakPolarHBondContact O-CA 3.43Å; E98-G124 PolarHBondContact O-N 2.67Å; E98-G124 VanDerWaalsContact O-O 3.1Å; E98-S161 WeakPolarHBondContact CA-OG 3.48Å; E98-S161 WeakPolarHBondContact CB-O 3.32Å; E98-S161 VanDerWaalsContact CG-O 3.3Å; E98-S161 WeakPolarHBondContact CG-O 3.39Å; E98-H162 IonicContact OE1-CD2 2.96Å; E98-H162 PolarHBondContact OE1-CD2 2.96Å; E98-H162 IonicContact OE1-NE2 3.16Å
99	V	90.9	Very high	91.4	Very high	10 Å²	10	42.6 Å²	42.6	6%	0.061	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	156.5	173.3	-58.7	0	0	0	0	109.5	A91 L97 H160 S161	A91-V99 HydrophobicContact CB-CG2 4.47Å; L97-V99 PolarHBondContact O-N 3.39Å; V99-H160 CarbonylContact O-C 3.6Å; V99-H160 WeakPolarHBondContact O-CA 3.25Å; V99-H160 WeakPolarHBondContact O-CB 2.98Å; V99-S161 PolarHBondContact N-OG 2.98Å; V99-S161 PolarHBondContact O-N 3.46Å
100	M	90.9	Very high	91.4	Very high	12 Å²	12	38.8 Å²	38.8	6%	0.059	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	159.8	179	68.1	178.9	77.3	0	0	113	H90 L120 V122 V129 A131 Y159 H160	H90-M100 PolarHBondContact CE1-O 2.84Å; H90-M100 VanDerWaalsContact CE1-O 3.28Å; M100-L120 HydrophobicContact CG-CB 4.23Å; M100-L120 HydrophobicContact CG-CD1 4Å; M100-L120 PolarHBondContact O-N 3.17Å; M100-L120 HydrophobicContact SD-CD1 4.13Å; M100-V122 HydrophobicContact CE-CG2 4.05Å; M100-V122 HydrophobicContact CG-CG2 3.36Å; M100-V122 HydrophobicContact SD-CG2 3.46Å; M100-V122 WeakPolarHBondContact SD-CG2 3.35Å; M100-V129 HydrophobicContact CE-CG1 3.92Å; M100-V129 HydrophobicContact CE-CG2 4.44Å; M100-V129 HydrophobicContact SD-CG1 4.43Å; M100-A131 HydrophobicContact SD-CB 4.08Å; M100-Y159 CarbonylContact C-O 3.52Å; M100-Y159 WeakPolarHBondContact CA-O 3.34Å; M100-Y159 WeakPolarHBondContact CB-O 3.38Å; M100-H160 HydrophobicContact CB-CB 4.05Å
101	G	91.4	Very high	91.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	-178	175.5	0	0	0	0	0	113.3	S118 W158 Y159	G101-S118 CarbonylContact C-O 3.5Å; G101-S118 WeakPolarHBondContact CA-O 3.42Å; G101-W158 CarbonylContact O-C 3.52Å; G101-W158 WeakPolarHBondContact O-CA 3.14Å; G101-W158 WeakPolarHBondContact O-CB 3.31Å; G101-Y159 VanDerWaalsContact C-CD1 3.49Å; G101-Y159 VanDerWaalsContact C-CE1 3.44Å; G101-Y159 PolarHBondContact N-O 2.81Å; G101-Y159 PolarHBondContact O-N 3.29Å
102	L	91.1	Very high	91.6	Very high	3 Å²	3	38.5 Å²	38.5	2%	0.016	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	145.5	-177.7	-58.2	174.1	0	0	0	110.9	S117 S118 L120 Y138 M139 V155	L102-S117 VanDerWaalsContact O-CA 3.25Å; L102-S117 WeakPolarHBondContact O-CA 3.44Å; L102-S118 PolarHBondContact N-O 3.05Å; L102-S118 PolarHBondContact O-N 2.79Å; L102-L120 HydrophobicContact CD1-CD2 3.99Å; L102-L120 HydrophobicContact CD2-CD1 4.1Å; L102-L120 HydrophobicContact CD2-CD2 4.23Å; L102-L120 HydrophobicContact CD2-CG 4.31Å; L102-L120 HydrophobicContact CG-CD1 4.36Å; L102-L120 HydrophobicContact CG-CD2 3.89Å; L102-L120 HydrophobicContact CG-CG 4.03Å; L102-Y138 HydrophobicContact CD1-CD1 3.95Å; L102-Y138 HydrophobicContact CD1-CE1 4.17Å; L102-M139 HydrophobicContact CD1-CB 4.32Å; L102-M139 HydrophobicContact CD1-CG 3.41Å; L102-M139 VanDerWaalsContact CD1-CG 3.41Å; L102-M139 HydrophobicContact CD2-CG 3.51Å; L102-M139 HydrophobicContact CD2-SD 3.76Å; L102-M139 HydrophobicContact CG-CG 4.09Å; L102-V155 HydrophobicContact CD1-CG2 4.47Å; L102-V155 HydrophobicContact CD2-CG1 4.32Å
103	L	94.2	Very high	91.7	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	133.8	170.1	-58.7	174.4	0	0	0	109.2	M87 V114 V155 L156 G157 W158 Y159 V188 I190	M87-L103 HydrophobicContact CE-CD2 4.46Å; M87-L103 HydrophobicContact SD-CD2 3.53Å; M87-L103 VanDerWaalsContact SD-CD2 3.53Å; L103-V114 HydrophobicContact CB-CG1 4.34Å; L103-V114 HydrophobicContact CB-CG2 4.37Å; L103-V114 HydrophobicContact CD1-CG2 4.34Å; L103-V114 HydrophobicContact CD2-CG1 3.99Å; L103-V155 CarbonylContact O-C 3.58Å; L103-V155 WeakPolarHBondContact O-CA 3.31Å; L103-L156 PolarHBondContact O-N 2.94Å; L103-G157 PolarHBondContact N-O 2.93Å; L103-W158 VanDerWaalsContact CD1-O 3.24Å; L103-W158 WeakPolarHBondContact CD1-O 3.49Å; L103-Y159 HydrophobicContact CD2-CD1 3.84Å; L103-Y159 HydrophobicContact CD2-CG 4.41Å; L103-Y159 HydrophobicContact CG-CD1 4.41Å; L103-V188 HydrophobicContact CD1-CG1 3.86Å; L103-I190 HydrophobicContact CD1-CB 4.12Å; L103-I190 HydrophobicContact CD1-CD1 3.49Å; L103-I190 VanDerWaalsContact CD1-CD1 3.49Å; L103-I190 HydrophobicContact CD1-CG1 3.65Å; L103-I190 HydrophobicContact CD2-CD1 3.92Å; L103-I190 HydrophobicContact CG-CD1 4.36Å
104	I	91.1	Very high	91.8	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.01	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	132.3	-178.6	-58.9	140.7	0	0	0	107.9	V115 D116 Y142 E153 N154	I104-V115 HydrophobicContact CG2-CG2 4.35Å; I104-V115 WeakPolarHBondContact O-CG2 3.44Å; I104-V115 PolarHBondContact O-N 3.2Å; I104-D116 HydrophobicContact CB-CB 4.27Å; I104-D116 HydrophobicContact CD1-CB 4.08Å; I104-D116 PolarHBondContact N-O 2.93Å; I104-D116 PolarHBondContact O-N 3.15Å; I104-Y142 HydrophobicContact CD1-CE1 3.41Å; I104-Y142 VanDerWaalsContact CD1-CE1 3.41Å; I104-Y142 VanDerWaalsContact CD1-CZ 3.46Å; I104-Y142 WeakPolarHBondContact CD1-OH 3.47Å; I104-Y142 HydrophobicContact CG1-CE1 3.72Å; I104-E153 HydrophobicContact CG2-CB 3.68Å; I104-N154 WeakPolarHBondContact CA-O 3.29Å
105	G	92.7	Very high	91.9	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.01	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.3	-154.4	-173.8	0	0	0	0	0	115.1	I113 N154	G105-I113 WeakPolarHBondContact CA-O 3.27Å; G105-N154 PolarHBondContact N-O 2.78Å; G105-N154 PolarHBondContact O-N 3.3Å
106	K	91.8	Very high	92	Very high	13 Å²	13	24.2 Å²	24.2	6%	0.057	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	172.1	-174.3	68.9	-163.1	178.1	-164	0	110.7	Y50 K52 Y53 I113 L156	Y50-K106 WeakPolarHBondContact O-CE 3.36Å; Y50-K106 PolarHBondContact O-NZ 3.46Å; K52-K106 PolarHBondContact O-NZ 3.24Å; Y53-K106 HydrophobicContact CD2-CB 3.75Å; Y53-K106 HydrophobicContact CD2-CD 3.67Å; Y53-K106 HydrophobicContact CD2-CG 4.36Å; Y53-K106 HydrophobicContact CE2-CB 3.64Å; Y53-K106 HydrophobicContact CE2-CD 4.42Å; K106-I113 HydrophobicContact CG-CB 4.1Å; K106-I113 HydrophobicContact CG-CD1 4.44Å; K106-I113 PolarHBondContact N-O 2.96Å; K106-I113 PolarHBondContact O-N 3.18Å; K106-L156 WeakPolarHBondContact O-CD2 3.36Å
107	V	92.6	Very high	92.2	Very high	5 Å²	5	18.5 Å²	18.5	3%	0.03	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	145.3	170.5	-61.9	0	0	0	0	111	H58 I61 V62 F74 M112 L156 P186	H58-V107 WeakPolarHBondContact ND1-CG2 3.44Å; H58-V107 PolarHBondContact ND1-N 3.28Å; I61-V107 HydrophobicContact CB-CG2 4.2Å; I61-V107 HydrophobicContact CD1-CG2 4.4Å; I61-V107 HydrophobicContact CG2-CG2 3.84Å; V62-V107 HydrophobicContact CG2-CG2 4.45Å; F74-V107 HydrophobicContact CE1-CB 3.96Å; F74-V107 HydrophobicContact CE1-CG1 3.75Å; F74-V107 HydrophobicContact CZ-CB 4.25Å; F74-V107 HydrophobicContact CZ-CG1 3.8Å; V107-M112 HydrophobicContact CG1-CE 4.31Å; V107-M112 HydrophobicContact CG1-CG 4.3Å; V107-L156 HydrophobicContact CG1-CD1 3.75Å; V107-P186 HydrophobicContact CG1-CB 4.02Å; V107-P186 HydrophobicContact CG1-CG 3.5Å; V107-P186 HydrophobicContact CG2-CG 4.21Å
108	A	89.4	Confident	92.2	Very high	38 Å²	38	15 Å²	15	31%	0.314	8%	0.082	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	110.8	171.9	0	0	0	0	0	108.6	Q110 T111 I113	A108-Q110 PolarHBondContact O-N 3.2Å; A108-Q110 VanDerWaalsContact O-N 3.13Å; A108-T111 PolarHBondContact N-O 3.39Å; A108-T111 WeakPolarHBondContact O-CA 3.32Å; A108-T111 WeakPolarHBondContact O-CB 3.44Å; A108-T111 PolarHBondContact O-N 3.21Å; A108-I113 HydrophobicContact CB-CD1 3.68Å
109	H	88.4	Confident	92.2	Very high	116 Å²	116	16.8 Å²	16.8	54%	0.537	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	44.5	-118.6	-172.6	-168.5	50.2	0	0	0	111.8	Y73 T111	Y73-H109 WeakPolarHBondContact CE1-O 3.44Å; Y73-H109 VanDerWaalsContact CZ-O 3.23Å; Y73-H109 WeakPolarHBondContact OH-CA 3.49Å; Y73-H109 PolarHBondContact OH-ND1 3.24Å; Y73-H109 PolarHBondContact OH-O 3.45Å; H109-T111 VanDerWaalsContact C-N 3.31Å
110	Q	94.4	Very high	91.9	Very high	35 Å²	35	16.8 Å²	16.8	16%	0.164	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	10.1	-179.8	-66.2	176.9	66.7	0	0	113.5	Y73 F74 K75 W76 A108	Y73-Q110 HydrophobicContact CD2-CG 4.11Å; Y73-Q110 HydrophobicContact CE2-CG 3.87Å; Y73-Q110 WeakPolarHBondContact O-CA 3.32Å; Y73-Q110 WeakPolarHBondContact O-CB 3.31Å; Y73-Q110 WeakPolarHBondContact O-CG 3.23Å; F74-Q110 WeakPolarHBondContact CA-O 3.38Å; K75-Q110 VanDerWaalsContact CE-OE1 3.28Å; K75-Q110 PolarHBondContact N-O 2.91Å; W76-Q110 HydrophobicContact CE3-CB 3.81Å; W76-Q110 HydrophobicContact CZ3-CB 3.6Å; W76-Q110 HydrophobicContact CZ3-CG 4.4Å; W76-Q110 PolarHBondContact N-O 2.89Å; A108-Q110 PolarHBondContact O-N 3.2Å; A108-Q110 VanDerWaalsContact O-N 3.13Å
111	T	95	Very high	90.9	Very high	25 Å²	25	21.1 Å²	21.1	15%	0.153	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	132.5	-176	-53.7	0	0	0	0	111.5	W76 K78 A108 H109 I113	W76-T111 HydrophobicContact CB-CG2 4.01Å; W76-T111 CarbonylContact O-C 3.46Å; W76-T111 WeakPolarHBondContact O-CA 3.45Å; K78-T111 HydrophobicContact CB-CG2 4.37Å; K78-T111 HydrophobicContact CD-CG2 4.25Å; K78-T111 HydrophobicContact CG-CG2 3.95Å; A108-T111 PolarHBondContact N-O 3.39Å; A108-T111 WeakPolarHBondContact O-CA 3.32Å; A108-T111 WeakPolarHBondContact O-CB 3.44Å; A108-T111 PolarHBondContact O-N 3.21Å; H109-T111 VanDerWaalsContact C-N 3.31Å; T111-I113 HydrophobicContact CG2-CG1 4.05Å
112	M	96.1	Very high	89.6	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	129.6	168.3	-62.3	-173.3	123.2	0	0	109	F74 W76 I77 K78 V107 L156 P186 V188 L246	F74-M112 HydrophobicContact CB-CG 4.31Å; F74-M112 HydrophobicContact CB-SD 4.35Å; F74-M112 HydrophobicContact CD1-CE 4.48Å; F74-M112 HydrophobicContact CD1-CG 3.58Å; F74-M112 HydrophobicContact CD1-SD 4.37Å; F74-M112 HydrophobicContact CD2-CE 4.02Å; F74-M112 HydrophobicContact CD2-SD 4.39Å; F74-M112 HydrophobicContact CE1-CE 4.48Å; F74-M112 HydrophobicContact CE1-CG 4Å; F74-M112 HydrophobicContact CE2-CE 4Å; F74-M112 HydrophobicContact CG-CE 4.26Å; F74-M112 HydrophobicContact CG-CG 3.92Å; F74-M112 HydrophobicContact CG-SD 4.12Å; F74-M112 HydrophobicContact CZ-CE 4.23Å; W76-M112 PolarHBondContact O-N 3.37Å; I77-M112 CarbonylContact C-O 3.59Å; I77-M112 VanDerWaalsContact CA-O 3.25Å; I77-M112 WeakPolarHBondContact CA-O 3.3Å; I77-M112 HydrophobicContact CB-CB 4.49Å; I77-M112 HydrophobicContact CG1-CB 4.16Å; I77-M112 WeakPolarHBondContact CG1-O 3.33Å; K78-M112 PolarHBondContact N-O 3.03Å; V107-M112 HydrophobicContact CG1-CE 4.31Å; V107-M112 HydrophobicContact CG1-CG 4.3Å; M112-L156 HydrophobicContact CB-CD2 4.15Å; M112-L156 HydrophobicContact CE-CD1 4.25Å; M112-P186 HydrophobicContact CE-CB 3.71Å; M112-V188 HydrophobicContact CE-CB 4.26Å; M112-V188 HydrophobicContact SD-CB 3.61Å; M112-V188 HydrophobicContact SD-CG1 4.11Å; M112-V188 HydrophobicContact SD-CG2 4.06Å; M112-L246 HydrophobicContact CG-CD2 4.33Å; M112-L246 HydrophobicContact SD-CD2 3.92Å
113	I	94.7	Very high	88.1	Confident	3 Å²	3	30.5 Å²	30.5	2%	0.015	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	108.2	-175	-58.3	166.8	0	0	0	108.6	Y50 K78 G105 K106 A108 T111 V115 L156 F251	Y50-I113 HydrophobicContact CD1-CD1 3.79Å; Y50-I113 HydrophobicContact CE1-CD1 4.33Å; K78-I113 HydrophobicContact CB-CG1 4.4Å; K78-I113 CarbonylContact O-C 3.58Å; K78-I113 WeakPolarHBondContact O-CA 3.38Å; G105-I113 WeakPolarHBondContact CA-O 3.27Å; K106-I113 HydrophobicContact CG-CB 4.1Å; K106-I113 HydrophobicContact CG-CD1 4.44Å; K106-I113 PolarHBondContact N-O 2.96Å; K106-I113 PolarHBondContact O-N 3.18Å; A108-I113 HydrophobicContact CB-CD1 3.68Å; T111-I113 HydrophobicContact CG2-CG1 4.05Å; I113-V115 HydrophobicContact CG2-CG1 4.18Å; I113-L156 WeakPolarHBondContact O-CD2 3.4Å; I113-F251 HydrophobicContact CG2-CE1 3.89Å; I113-F251 HydrophobicContact CG2-CZ 3.72Å
114	V	95.5	Very high	86.3	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	114.9	173.8	-179.7	0	0	0	0	108.5	I77 K78 I79 S80 A83 L103 D116 L156 I190	I77-V114 HydrophobicContact CD1-CG2 3.93Å; I77-V114 HydrophobicContact CG1-CG2 4.24Å; K78-V114 PolarHBondContact O-N 3.1Å; I79-V114 HydrophobicContact CG1-CB 4.38Å; I79-V114 HydrophobicContact CG1-CG2 4.48Å; I79-V114 HydrophobicContact CG2-CB 4.4Å; I79-V114 HydrophobicContact CG2-CG1 4.41Å; S80-V114 PolarHBondContact N-O 3.23Å; A83-V114 HydrophobicContact CB-CG1 3.81Å; L103-V114 HydrophobicContact CB-CG1 4.34Å; L103-V114 HydrophobicContact CB-CG2 4.37Å; L103-V114 HydrophobicContact CD1-CG2 4.34Å; L103-V114 HydrophobicContact CD2-CG1 3.99Å; V114-D116 WeakPolarHBondContact CG1-O 3.32Å; V114-L156 HydrophobicContact CG2-CD2 4.15Å; V114-I190 HydrophobicContact CG2-CD1 4.3Å
115	V	92.1	Very high	84.5	Confident	4 Å²	4	34.5 Å²	34.5	2%	0.024	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	-27.1	178.6	-59.8	0	0	0	0	112.2	F51 S80 I104 I113 E153 F251	F51-V115 HydrophobicContact CD1-CB 4.47Å; S80-V115 WeakPolarHBondContact CB-O 3.47Å; S80-V115 VanDerWaalsContact OG-C 3.32Å; S80-V115 PolarHBondContact OG-O 2.9Å; I104-V115 HydrophobicContact CG2-CG2 4.35Å; I104-V115 WeakPolarHBondContact O-CG2 3.44Å; I104-V115 PolarHBondContact O-N 3.2Å; I113-V115 HydrophobicContact CG2-CG1 4.18Å; V115-E153 HydrophobicContact CG2-CB 4.29Å; V115-E153 HydrophobicContact CG2-CG 3.9Å; V115-F251 HydrophobicContact CG1-CZ 4.48Å
116	D	91.6	Very high	82.5	Confident	9 Å²	9	39 Å²	39	5%	0.048	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	168.2	-179.8	-154.7	1.3	0	0	0	111.9	K86 I104 V114 R151	K86-D116 WeakPolarHBondContact CD-OD1 3.46Å; K86-D116 WeakPolarHBondContact CE-OD1 3.32Å; K86-D116 VanDerWaalsContact NZ-CG 3.26Å; K86-D116 IonicContact NZ-OD1 3.71Å; K86-D116 PolarHBondContact NZ-OD1 3.16Å; K86-D116 IonicContact NZ-OD2 2.73Å; K86-D116 PolarHBondContact NZ-OD2 3.47Å; K86-D116 VanDerWaalsContact NZ-OD2 3.07Å; I104-D116 HydrophobicContact CB-CB 4.27Å; I104-D116 HydrophobicContact CD1-CB 4.08Å; I104-D116 PolarHBondContact N-O 2.93Å; I104-D116 PolarHBondContact O-N 3.15Å; V114-D116 WeakPolarHBondContact CG1-O 3.32Å; D116-R151 IonicContact OD2-CZ 2.61Å; D116-R151 IonicContact OD2-NH1 3.61Å; D116-R151 PolarHBondContact OD2-NH1 2.83Å; D116-R151 IonicContact OD2-NH2 2.67Å
117	S	93.2	Very high	80.3	Confident	2 Å²	2	43.5 Å²	43.5	1%	0.014	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	154.2	174.4	62.4	0	0	0	0	111	A83 K86 M87 L102	A83-S117 PolarHBondContact O-OG 3.47Å; K86-S117 WeakPolarHBondContact CB-OG 3.46Å; K86-S117 WeakPolarHBondContact CD-O 3.39Å; M87-S117 WeakPolarHBondContact CG-OG 3.26Å; L102-S117 VanDerWaalsContact O-CA 3.25Å; L102-S117 WeakPolarHBondContact O-CA 3.44Å
118	S	89.1	Confident	78.2	Confident	14 Å²	14	52 Å²	52	10%	0.098	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	133	175.6	-167.9	0	0	0	0	110	G101 L102 Y138	G101-S118 CarbonylContact C-O 3.5Å; G101-S118 WeakPolarHBondContact CA-O 3.42Å; L102-S118 PolarHBondContact N-O 3.05Å; L102-S118 PolarHBondContact O-N 2.79Å; S118-Y138 PolarHBondContact OG-OH 2.9Å
119	P	89.8	Confident	76.2	Confident	60 Å²	60	51.1 Å²	51.1	39%	0.39	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	144.1	172.4	30	-35.5	0	0	0	110	H90	H90-P119 WeakPolarHBondContact CE1-CB 3.24Å
120	L	84.5	Confident	74.2	Confident	11 Å²	11	51.4 Å²	51.4	6%	0.058	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	143.4	163	-75	169.1	0	0	0	108.1	M100 L102 V122 A135 Y138	M100-L120 HydrophobicContact CG-CB 4.23Å; M100-L120 HydrophobicContact CG-CD1 4Å; M100-L120 PolarHBondContact O-N 3.17Å; M100-L120 HydrophobicContact SD-CD1 4.13Å; L102-L120 HydrophobicContact CD1-CD2 3.99Å; L102-L120 HydrophobicContact CD2-CD1 4.1Å; L102-L120 HydrophobicContact CD2-CD2 4.23Å; L102-L120 HydrophobicContact CD2-CG 4.31Å; L102-L120 HydrophobicContact CG-CD1 4.36Å; L102-L120 HydrophobicContact CG-CD2 3.89Å; L102-L120 HydrophobicContact CG-CG 4.03Å; L120-V122 HydrophobicContact CB-CG2 3.77Å; L120-V122 PolarHBondContact O-N 3.11Å; L120-A135 HydrophobicContact CD1-CB 3.65Å; L120-A135 HydrophobicContact CD2-CB 3.92Å; L120-A135 HydrophobicContact CG-CB 4.41Å; L120-Y138 HydrophobicContact CD2-CD1 3.47Å; L120-Y138 VanDerWaalsContact CD2-CD1 3.47Å; L120-Y138 HydrophobicContact CD2-CE1 4.14Å; L120-Y138 HydrophobicContact CD2-CG 4.01Å
121	P	69.3	Low	72.2	Confident	103 Å²	103	50.4 Å²	50.4	67%	0.669	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.2	50.8	177.6	34.8	-36.9	0	0	0	111.2	Y138	P121-Y138 HydrophobicContact CG-CD2 4.12Å; P121-Y138 HydrophobicContact CG-CE2 4.43Å
122	V	65.4	Low	70.3	Confident	26 Å²	26	52.2 Å²	52.2	16%	0.158	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	121.9	-178.1	-57.3	0	0	0	0	109.4	M100 L120 A131	M100-V122 HydrophobicContact CE-CG2 4.05Å; M100-V122 HydrophobicContact CG-CG2 3.36Å; M100-V122 HydrophobicContact SD-CG2 3.46Å; M100-V122 WeakPolarHBondContact SD-CG2 3.35Å; L120-V122 HydrophobicContact CB-CG2 3.77Å; L120-V122 PolarHBondContact O-N 3.11Å; V122-A131 HydrophobicContact CB-CB 3.95Å; V122-A131 HydrophobicContact CG1-CB 3.77Å; V122-A131 HydrophobicContact CG2-CB 3.76Å
123	E	58.8	Low	68.5	Low	174 Å²	174	55 Å²	55	81%	0.813	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.5	112.7	170.5	-68.8	179.6	174.3	0	0	107.7
124	G	57.7	Low	66.9	Low	6 Å²	6	60.3 Å²	60.3	6%	0.062	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	125.6	178.7	0	0	0	0	0	110.6	E98	E98-G124 CarbonylContact O-C 3.54Å; E98-G124 WeakPolarHBondContact O-CA 3.43Å; E98-G124 PolarHBondContact O-N 2.67Å; E98-G124 VanDerWaalsContact O-O 3.1Å
125	T	51.9	Low	65.4	Low	79 Å²	79	60.8 Å²	60.8	49%	0.485	33%	0.329	S	S	.	.			trans	-96.6	142.6	153.6	50	0	0	0	0	107	T127 R128	T125-T127 PolarHBondContact O-N 3.47Å; T125-R128 PolarHBondContact O-N 3.28Å
126	E	51	Low	64.1	Low	95 Å²	95	63.6 Å²	63.6	44%	0.444	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-44.5	-29.5	-174.6	-168.1	-174.2	151.7	0	0	114.2	I172 K232	E126-I172 WeakPolarHBondContact O-CD1 3.39Å; E126-K232 WeakPolarHBondContact OE1-CE 3.42Å; E126-K232 IonicContact OE1-NZ 2.69Å; E126-K232 PolarHBondContact OE1-NZ 2.99Å; E126-K232 IonicContact OE2-NZ 2.76Å; E126-K232 PolarHBondContact OE2-NZ 3.07Å
127	T	45.8	Very low	63.2	Low	109 Å²	109	69.8 Å²	69.8	67%	0.669	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-3	-176.8	56.7	0	0	0	0	115.3	T125	T125-T127 PolarHBondContact O-N 3.47Å
128	R	48.9	Very low	62.2	Low	182 Å²	182	73.3 Å²	73.3	69%	0.687	38%	0.381	S	S	*	.			trans	-138.2	72	-172.5	-63.2	-168.9	-176.5	-173	2.4	112.7	T125 N130	T125-R128 PolarHBondContact O-N 3.28Å; R128-N130 PolarHBondContact O-N 3.04Å
129	V	46	Very low	61.3	Low	20 Å²	20	73.5 Å²	73.5	12%	0.121	38%	0.381	C	S	.	.			trans	-80.7	48	155.9	-164.8	0	0	0	0	109.5	M100 W158 I172 T176	M100-V129 HydrophobicContact CE-CG1 3.92Å; M100-V129 HydrophobicContact CE-CG2 4.44Å; M100-V129 HydrophobicContact SD-CG1 4.43Å; V129-W158 HydrophobicContact CG1-CZ3 4.34Å; V129-I172 HydrophobicContact CB-CG2 3.91Å; V129-I172 HydrophobicContact CG2-CG2 3.76Å; V129-T176 HydrophobicContact CG1-CG2 3.98Å
130	N	48.3	Very low	60.5	Low	123 Å²	123	74.6 Å²	74.6	66%	0.658	39%	0.387	S	S	*	.			trans	-105	27.3	172.5	-143.4	15.9	0	0	0	111.6	R128 Q132	R128-N130 PolarHBondContact O-N 3.04Å; N130-Q132 PolarHBondContact O-N 3.45Å
131	A	51.5	Low	60.1	Low	13 Å²	13	77.8 Å²	77.8	11%	0.107	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	12.6	163.5	0	0	0	0	0	112.1	M100 V122 A133 A135	M100-A131 HydrophobicContact SD-CB 4.08Å; V122-A131 HydrophobicContact CB-CB 3.95Å; V122-A131 HydrophobicContact CG1-CB 3.77Å; V122-A131 HydrophobicContact CG2-CB 3.76Å; A131-A133 PolarHBondContact O-N 2.91Å; A131-A135 WeakPolarHBondContact O-CA 3.46Å; A131-A135 WeakPolarHBondContact O-CB 3.12Å; A131-A135 PolarHBondContact O-N 3.12Å
132	Q	54.5	Low	60.4	Low	63 Å²	63	74.7 Å²	74.7	29%	0.294	38%	0.382	S	S	.	.	H	α-helix	trans	-58.1	-47.4	-172.8	-70.7	-167.3	-17.4	0	0	111.2	N130 Y136	N130-Q132 PolarHBondContact O-N 3.45Å; Q132-Y136 HydrophobicContact CB-CD2 4.14Å; Q132-Y136 HydrophobicContact CB-CE2 3.95Å; Q132-Y136 HydrophobicContact CG-CE2 4.48Å; Q132-Y136 WeakPolarHBondContact O-CB 3.35Å; Q132-Y136 WeakPolarHBondContact O-CD2 3.22Å; Q132-Y136 PolarHBondContact O-N 2.69Å
133	A	58.1	Low	60.8	Low	59 Å²	59	79.6 Å²	79.6	49%	0.488	40%	0.401	S	S	.	.	H	α-helix	trans	-65.5	-53.9	-177	0	0	0	0	0	112	A131 A135 Y136 E137	A131-A133 PolarHBondContact O-N 2.91Å; A133-A135 VanDerWaalsContact C-N 3.34Å; A133-A135 PolarHBondContact O-N 3.04Å; A133-Y136 PolarHBondContact O-N 2.73Å; A133-E137 WeakPolarHBondContact O-CG 3.32Å; A133-E137 PolarHBondContact O-N 3.48Å
134	E	61.8	Low	61.8	Low	115 Å²	115	76.5 Å²	76.5	54%	0.537	39%	0.387	S	S	.	.	H	α-helix	trans	-66	-37.2	-179.5	-63	83.3	174.5	0	0	111.7	Y138	E134-Y138 VanDerWaalsContact O-CB 3.26Å; E134-Y138 WeakPolarHBondContact O-CB 3.46Å; E134-Y138 PolarHBondContact O-N 3.25Å
135	A	63.1	Low	62.8	Low	10 Å²	10	80 Å²	80	8%	0.083	41%	0.406	C	S	.	.	H	α-helix	trans	-67.4	-40.3	174.2	0	0	0	0	0	111.5	L120 A131 A133 Y138 M139	L120-A135 HydrophobicContact CD1-CB 3.65Å; L120-A135 HydrophobicContact CD2-CB 3.92Å; L120-A135 HydrophobicContact CG-CB 4.41Å; A131-A135 WeakPolarHBondContact O-CA 3.46Å; A131-A135 WeakPolarHBondContact O-CB 3.12Å; A131-A135 PolarHBondContact O-N 3.12Å; A133-A135 VanDerWaalsContact C-N 3.34Å; A133-A135 PolarHBondContact O-N 3.04Å; A135-Y138 CarbonylContact O-C 3.5Å; A135-Y138 PolarHBondContact O-N 3.18Å; A135-M139 VanDerWaalsContact O-CB 3.29Å; A135-M139 WeakPolarHBondContact O-CB 3.38Å; A135-M139 WeakPolarHBondContact O-CG 3.49Å; A135-M139 PolarHBondContact O-N 2.97Å
136	Y	66.6	Low	63.9	Low	63 Å²	63	76.6 Å²	76.6	25%	0.247	39%	0.386	C	S	.	.	H	α-helix	trans	-67.4	-39.6	177.2	-79	-51.5	0	0	0	112.3	Q132 A133 M139 T140 N180	Q132-Y136 HydrophobicContact CB-CD2 4.14Å; Q132-Y136 HydrophobicContact CB-CE2 3.95Å; Q132-Y136 HydrophobicContact CG-CE2 4.48Å; Q132-Y136 WeakPolarHBondContact O-CB 3.35Å; Q132-Y136 WeakPolarHBondContact O-CD2 3.22Å; Q132-Y136 PolarHBondContact O-N 2.69Å; A133-Y136 PolarHBondContact O-N 2.73Å; Y136-M139 HydrophobicContact CD1-CE 4.24Å; Y136-M139 HydrophobicContact CD1-SD 3.81Å; Y136-M139 HydrophobicContact CE1-CE 4.32Å; Y136-M139 HydrophobicContact CE1-SD 4.18Å; Y136-M139 PolarHBondContact O-N 2.97Å; Y136-T140 WeakPolarHBondContact O-CB 3.45Å; Y136-T140 PolarHBondContact O-N 3.14Å; Y136-T140 PolarHBondContact O-OG1 3.35Å; Y136-N180 PolarHBondContact OH-OD1 2.89Å; Y136-N180 VanDerWaalsContact OH-OD1 3.11Å
137	E	71.8	Confident	65.1	Low	138 Å²	138	75.2 Å²	75.2	65%	0.645	39%	0.39	S	S	*	.	H	α-helix	trans	-63.1	-44.5	172.8	-73.9	-175.8	179	0	0	111.2	A133 T140 T141	A133-E137 WeakPolarHBondContact O-CG 3.32Å; A133-E137 PolarHBondContact O-N 3.48Å; E137-T140 PolarHBondContact O-N 2.7Å; E137-T141 WeakPolarHBondContact O-CB 3.48Å; E137-T141 PolarHBondContact O-N 3.04Å; E137-T141 PolarHBondContact O-OG1 3.11Å
138	Y	71.6	Confident	66.7	Low	76 Å²	76	79.7 Å²	79.7	30%	0.298	40%	0.395	S	S	.	.	H	α-helix	trans	-62.5	-44	174.2	-174.9	-88.5	0	0	0	111.5	L102 S118 L120 P121 E134 A135 T140 T141 Y142	L102-Y138 HydrophobicContact CD1-CD1 3.95Å; L102-Y138 HydrophobicContact CD1-CE1 4.17Å; S118-Y138 PolarHBondContact OG-OH 2.9Å; L120-Y138 HydrophobicContact CD2-CD1 3.47Å; L120-Y138 VanDerWaalsContact CD2-CD1 3.47Å; L120-Y138 HydrophobicContact CD2-CE1 4.14Å; L120-Y138 HydrophobicContact CD2-CG 4.01Å; P121-Y138 HydrophobicContact CG-CD2 4.12Å; P121-Y138 HydrophobicContact CG-CE2 4.43Å; E134-Y138 VanDerWaalsContact O-CB 3.26Å; E134-Y138 WeakPolarHBondContact O-CB 3.46Å; E134-Y138 PolarHBondContact O-N 3.25Å; A135-Y138 CarbonylContact O-C 3.5Å; A135-Y138 PolarHBondContact O-N 3.18Å; Y138-T140 VanDerWaalsContact C-N 3.33Å; Y138-T140 PolarHBondContact O-N 2.93Å; Y138-T141 PolarHBondContact O-N 3.44Å; Y138-Y142 HydrophobicContact CE1-CD2 4.1Å; Y138-Y142 HydrophobicContact CE1-CG 4.38Å; Y138-Y142 WeakPolarHBondContact O-CA 3.28Å; Y138-Y142 WeakPolarHBondContact O-CB 3.5Å; Y138-Y142 PolarHBondContact O-N 3.37Å
139	M	70.3	Confident	68.1	Low	19 Å²	19	76 Å²	76	9%	0.094	39%	0.393	C	S	.	.	H	α-helix	trans	-59	-43.7	176.9	-77.6	168.5	68	0	0	111.6	L102 A135 Y136 K143 V155 Q184	L102-M139 HydrophobicContact CD1-CB 4.32Å; L102-M139 HydrophobicContact CD1-CG 3.41Å; L102-M139 VanDerWaalsContact CD1-CG 3.41Å; L102-M139 HydrophobicContact CD2-CG 3.51Å; L102-M139 HydrophobicContact CD2-SD 3.76Å; L102-M139 HydrophobicContact CG-CG 4.09Å; A135-M139 VanDerWaalsContact O-CB 3.29Å; A135-M139 WeakPolarHBondContact O-CB 3.38Å; A135-M139 WeakPolarHBondContact O-CG 3.49Å; A135-M139 PolarHBondContact O-N 2.97Å; Y136-M139 HydrophobicContact CD1-CE 4.24Å; Y136-M139 HydrophobicContact CD1-SD 3.81Å; Y136-M139 HydrophobicContact CE1-CE 4.32Å; Y136-M139 HydrophobicContact CE1-SD 4.18Å; Y136-M139 PolarHBondContact O-N 2.97Å; M139-K143 WeakPolarHBondContact O-CB 3.32Å; M139-K143 PolarHBondContact O-N 2.69Å; M139-V155 HydrophobicContact CE-CB 4.26Å; M139-V155 HydrophobicContact CE-CG1 3.96Å; M139-V155 HydrophobicContact CE-CG2 4.25Å; M139-Q184 VanDerWaalsContact CE-OE1 3.26Å
140	T	73	Confident	69.4	Low	82 Å²	82	77.8 Å²	77.8	50%	0.503	42%	0.415	S	S	.	.	H	α-helix	trans	-65.4	-49.1	179.2	-56.9	0	0	0	0	110.3	Y136 E137 Y138 Y142 K143 E144	Y136-T140 WeakPolarHBondContact O-CB 3.45Å; Y136-T140 PolarHBondContact O-N 3.14Å; Y136-T140 PolarHBondContact O-OG1 3.35Å; E137-T140 PolarHBondContact O-N 2.7Å; Y138-T140 VanDerWaalsContact C-N 3.33Å; Y138-T140 PolarHBondContact O-N 2.93Å; T140-Y142 PolarHBondContact O-N 3.17Å; T140-K143 WeakPolarHBondContact O-CB 3.15Å; T140-K143 PolarHBondContact O-N 2.93Å; T140-E144 PolarHBondContact O-N 3.34Å; T140-E144 VanDerWaalsContact O-N 3.14Å
141	T	77.6	Confident	70.6	Confident	78 Å²	78	75.7 Å²	75.7	48%	0.479	40%	0.398	S	S	.	.	H	α-helix	trans	-62.6	-42.6	177.3	-59.2	0	0	0	0	111.6	E137 Y138 K143 E144 V145	E137-T141 WeakPolarHBondContact O-CB 3.48Å; E137-T141 PolarHBondContact O-N 3.04Å; E137-T141 PolarHBondContact O-OG1 3.11Å; Y138-T141 PolarHBondContact O-N 3.44Å; T141-K143 VanDerWaalsContact C-N 3.35Å; T141-K143 PolarHBondContact O-N 3.34Å; T141-E144 WeakPolarHBondContact O-CB 3.5Å; T141-E144 PolarHBondContact O-N 3.47Å; T141-V145 HydrophobicContact CG2-CG2 4.42Å; T141-V145 WeakPolarHBondContact O-CG2 3.45Å; T141-V145 PolarHBondContact O-N 3.38Å
142	Y	75.4	Confident	71.7	Confident	39 Å²	39	78.5 Å²	78.5	15%	0.153	41%	0.414	C	S	.	.	H	α-helix	trans	-59.7	-46.2	177.7	-175.3	-96.1	0	0	0	110.8	I104 Y138 T140 E144 V145 V146	I104-Y142 HydrophobicContact CD1-CE1 3.41Å; I104-Y142 VanDerWaalsContact CD1-CE1 3.41Å; I104-Y142 VanDerWaalsContact CD1-CZ 3.46Å; I104-Y142 WeakPolarHBondContact CD1-OH 3.47Å; I104-Y142 HydrophobicContact CG1-CE1 3.72Å; Y138-Y142 HydrophobicContact CE1-CD2 4.1Å; Y138-Y142 HydrophobicContact CE1-CG 4.38Å; Y138-Y142 WeakPolarHBondContact O-CA 3.28Å; Y138-Y142 WeakPolarHBondContact O-CB 3.5Å; Y138-Y142 PolarHBondContact O-N 3.37Å; T140-Y142 PolarHBondContact O-N 3.17Å; Y142-E144 VanDerWaalsContact C-N 3.3Å; Y142-E144 PolarHBondContact O-N 2.96Å; Y142-V145 PolarHBondContact O-N 3Å; Y142-V146 HydrophobicContact CD1-CG2 3.74Å; Y142-V146 HydrophobicContact CD2-CG2 4.21Å; Y142-V146 HydrophobicContact CE1-CB 4.45Å; Y142-V146 HydrophobicContact CE1-CG2 3.33Å; Y142-V146 HydrophobicContact CE2-CG2 3.85Å; Y142-V146 HydrophobicContact CG-CG2 4.14Å; Y142-V146 WeakPolarHBondContact O-CB 3.38Å; Y142-V146 WeakPolarHBondContact O-CG2 3.43Å; Y142-V146 PolarHBondContact O-N 2.97Å
143	K	74	Confident	72.9	Confident	128 Å²	128	76.7 Å²	76.7	56%	0.557	41%	0.405	S	S	*	.	H	α-helix	trans	-57.6	-42.6	175.7	-172.5	179.4	-179	179.1	0	111.8	M139 T140 T141 A147 N154	M139-K143 WeakPolarHBondContact O-CB 3.32Å; M139-K143 PolarHBondContact O-N 2.69Å; T140-K143 WeakPolarHBondContact O-CB 3.15Å; T140-K143 PolarHBondContact O-N 2.93Å; T141-K143 VanDerWaalsContact C-N 3.35Å; T141-K143 PolarHBondContact O-N 3.34Å; K143-A147 WeakPolarHBondContact O-CB 3.4Å; K143-A147 PolarHBondContact O-N 3.39Å; K143-A147 VanDerWaalsContact O-N 3.12Å; K143-N154 WeakPolarHBondContact CE-OD1 3.43Å
144	E	79.3	Confident	74.1	Confident	109 Å²	109	76.4 Å²	76.4	51%	0.509	40%	0.396	S	S	.	.	H	α-helix	trans	-65.6	-42.7	176.5	-69.1	-178	-178.1	0	0	112.8	T140 T141 Y142 R148	T140-E144 PolarHBondContact O-N 3.34Å; T140-E144 VanDerWaalsContact O-N 3.14Å; T141-E144 WeakPolarHBondContact O-CB 3.5Å; T141-E144 PolarHBondContact O-N 3.47Å; Y142-E144 VanDerWaalsContact C-N 3.3Å; Y142-E144 PolarHBondContact O-N 2.96Å; E144-R148 WeakPolarHBondContact O-CG 3.08Å; E144-R148 PolarHBondContact O-N 2.67Å
145	V	78.7	Confident	75.3	Confident	79 Å²	79	72.4 Å²	72.4	48%	0.479	38%	0.379	S	S	.	.	H	α-helix	trans	-67.5	-42.4	-180	171.5	0	0	0	0	111.4	T141 Y142 R148 V149	T141-V145 HydrophobicContact CG2-CG2 4.42Å; T141-V145 WeakPolarHBondContact O-CG2 3.45Å; T141-V145 PolarHBondContact O-N 3.38Å; Y142-V145 PolarHBondContact O-N 3Å; V145-R148 WeakPolarHBondContact O-CB 3.41Å; V145-R148 PolarHBondContact O-N 3.07Å; V145-V149 PolarHBondContact O-N 3.49Å
146	V	74.9	Confident	76.8	Confident	9 Å²	9	72.1 Å²	72.1	6%	0.055	38%	0.376	C	S	.	.	H	α-helix	trans	-67.5	-38.8	-178.6	172.4	0	0	0	0	110.9	Y142 R148 V149 R151	Y142-V146 HydrophobicContact CD1-CG2 3.74Å; Y142-V146 HydrophobicContact CD2-CG2 4.21Å; Y142-V146 HydrophobicContact CE1-CB 4.45Å; Y142-V146 HydrophobicContact CE1-CG2 3.33Å; Y142-V146 HydrophobicContact CE2-CG2 3.85Å; Y142-V146 HydrophobicContact CG-CG2 4.14Å; Y142-V146 WeakPolarHBondContact O-CB 3.38Å; Y142-V146 WeakPolarHBondContact O-CG2 3.43Å; Y142-V146 PolarHBondContact O-N 2.97Å; V146-R148 VanDerWaalsContact C-N 3.27Å; V146-R148 PolarHBondContact O-N 2.87Å; V146-V149 WeakPolarHBondContact O-CG2 3.33Å; V146-V149 PolarHBondContact O-N 3.18Å; V146-R151 CarbonylContact C-O 3.59Å; V146-R151 HydrophobicContact CG1-CB 3.34Å; V146-R151 HydrophobicContact CG1-CG 4.49Å; V146-R151 PolarHBondContact O-N 2.94Å
147	A	76.6	Confident	78.1	Confident	65 Å²	65	69.1 Å²	69.1	54%	0.537	36%	0.364	S	S	.	.	H	α-helix	trans	-59.8	-36.3	173.1	0	0	0	0	0	112.5	K143 V149 G150	K143-A147 WeakPolarHBondContact O-CB 3.4Å; K143-A147 PolarHBondContact O-N 3.39Å; K143-A147 VanDerWaalsContact O-N 3.12Å; A147-V149 VanDerWaalsContact C-N 3.29Å; A147-V149 PolarHBondContact O-N 3.03Å; A147-G150 PolarHBondContact O-N 2.71Å; A147-G150 VanDerWaalsContact O-N 3.14Å
148	R	78	Confident	79.2	Confident	204 Å²	204	63.1 Å²	63.1	77%	0.77	34%	0.336	S	S	*	.	H	α-helix	trans	-66.5	-27.7	178.3	-68.5	174.4	-167.4	-154.7	5.5	113.5	E144 V145 V146 G150	E144-R148 WeakPolarHBondContact O-CG 3.08Å; E144-R148 PolarHBondContact O-N 2.67Å; V145-R148 WeakPolarHBondContact O-CB 3.41Å; V145-R148 PolarHBondContact O-N 3.07Å; V146-R148 VanDerWaalsContact C-N 3.27Å; V146-R148 PolarHBondContact O-N 2.87Å; R148-G150 VanDerWaalsContact C-N 3.29Å
149	V	78.5	Confident	80.3	Confident	105 Å²	105	59.6 Å²	59.6	64%	0.636	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	11.5	176.3	-60.3	0	0	0	0	112.8	V145 V146 A147 R151	V145-V149 PolarHBondContact O-N 3.49Å; V146-V149 WeakPolarHBondContact O-CG2 3.33Å; V146-V149 PolarHBondContact O-N 3.18Å; A147-V149 VanDerWaalsContact C-N 3.29Å; A147-V149 PolarHBondContact O-N 3.03Å; V149-R151 HydrophobicContact CG2-CB 4.32Å; V149-R151 HydrophobicContact CG2-CG 4.15Å; V149-R151 PolarHBondContact O-N 2.57Å
150	G	72.9	Confident	81.4	Confident	57 Å²	57	58.9 Å²	58.9	59%	0.588	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.4	9.5	177.3	0	0	0	0	0	114.4	A147 R148	A147-G150 PolarHBondContact O-N 2.71Å; A147-G150 VanDerWaalsContact O-N 3.14Å; R148-G150 VanDerWaalsContact C-N 3.29Å
151	R	74.9	Confident	82.5	Confident	78 Å²	78	55 Å²	55	29%	0.294	30%	0.295	S	S	.	.			trans	-83.7	128.7	170.2	-70.4	-169.5	74.5	169.6	5.8	108.4	D116 V146 V149 E153	D116-R151 IonicContact OD2-CZ 2.61Å; D116-R151 IonicContact OD2-NH1 3.61Å; D116-R151 PolarHBondContact OD2-NH1 2.83Å; D116-R151 IonicContact OD2-NH2 2.67Å; V146-R151 CarbonylContact C-O 3.59Å; V146-R151 HydrophobicContact CG1-CB 3.34Å; V146-R151 HydrophobicContact CG1-CG 4.49Å; V146-R151 PolarHBondContact O-N 2.94Å; V149-R151 HydrophobicContact CG2-CB 4.32Å; V149-R151 HydrophobicContact CG2-CG 4.15Å; V149-R151 PolarHBondContact O-N 2.57Å; R151-E153 IonicContact NE-OE2 3.65Å
152	T	73.2	Confident	83.3	Confident	73 Å²	73	51.5 Å²	51.5	45%	0.448	27%	0.273	S	S	.	.			trans	-117.1	-3.6	-167	46.5	0	0	0	0	112.5	Y53	Y53-T152 WeakPolarHBondContact CD1-OG1 3.3Å; Y53-T152 WeakPolarHBondContact CE1-O 3.35Å
153	E	80	Confident	84.1	Confident	25 Å²	25	49.8 Å²	49.8	12%	0.117	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-67.7	140.6	174.2	-57.3	93.6	155.7	0	0	110.8	Y53 I104 V115 R151	Y53-E153 HydrophobicContact CD2-CG 4.02Å; Y53-E153 HydrophobicContact CG-CG 4.23Å; I104-E153 HydrophobicContact CG2-CB 3.68Å; V115-E153 HydrophobicContact CG2-CB 4.29Å; V115-E153 HydrophobicContact CG2-CG 3.9Å; R151-E153 IonicContact NE-OE2 3.65Å
154	N	83.4	Confident	84.9	Confident	53 Å²	53	43.9 Å²	43.9	28%	0.283	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	170.9	179.5	-68.4	-57.7	0	0	0	110.4	Y53 I104 G105 K143 L156	Y53-N154 PolarHBondContact OH-ND2 3.25Å; I104-N154 WeakPolarHBondContact CA-O 3.29Å; G105-N154 PolarHBondContact N-O 2.78Å; G105-N154 PolarHBondContact O-N 3.3Å; K143-N154 WeakPolarHBondContact CE-OD1 3.43Å; N154-L156 PolarHBondContact O-N 3.5Å
155	V	88.6	Confident	85.5	Confident	31 Å²	31	41.3 Å²	41.3	19%	0.188	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	123.5	164.5	-177.3	0	0	0	0	108.2	L102 L103 M139 G157 F187	L102-V155 HydrophobicContact CD1-CG2 4.47Å; L102-V155 HydrophobicContact CD2-CG1 4.32Å; L103-V155 CarbonylContact O-C 3.58Å; L103-V155 WeakPolarHBondContact O-CA 3.31Å; M139-V155 HydrophobicContact CE-CB 4.26Å; M139-V155 HydrophobicContact CE-CG1 3.96Å; M139-V155 HydrophobicContact CE-CG2 4.25Å; V155-G157 WeakPolarHBondContact CG1-O 3.03Å; V155-F187 HydrophobicContact CG1-CE2 3.87Å; V155-F187 HydrophobicContact CG1-CZ 4.12Å
156	L	92.7	Very high	86.1	Confident	3 Å²	3	37.7 Å²	37.7	2%	0.016	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	-15	179.1	-175.3	64.8	0	0	0	111.7	L103 K106 V107 M112 I113 V114 N154 F187 V188	L103-L156 PolarHBondContact O-N 2.94Å; K106-L156 WeakPolarHBondContact O-CD2 3.36Å; V107-L156 HydrophobicContact CG1-CD1 3.75Å; M112-L156 HydrophobicContact CB-CD2 4.15Å; M112-L156 HydrophobicContact CE-CD1 4.25Å; I113-L156 WeakPolarHBondContact O-CD2 3.4Å; V114-L156 HydrophobicContact CG2-CD2 4.15Å; N154-L156 PolarHBondContact O-N 3.5Å; L156-F187 CarbonylContact O-C 3.57Å; L156-F187 WeakPolarHBondContact O-CA 3.47Å; L156-V188 PolarHBondContact O-N 3.12Å; L156-V188 VanDerWaalsContact O-N 3.08Å
157	G	94.9	Very high	87.1	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.2	-166.8	-170.6	0	0	0	0	0	112.9	L103 V155 F187 V188	L103-G157 PolarHBondContact N-O 2.93Å; V155-G157 WeakPolarHBondContact CG1-O 3.03Å; G157-F187 VanDerWaalsContact CA-CZ 3.48Å; G157-V188 CarbonylContact C-O 3.48Å; G157-V188 WeakPolarHBondContact CA-O 3.44Å
158	W	93.8	Very high	88	Confident	13 Å²	13	34.9 Å²	34.9	5%	0.049	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	160.2	176	68.8	-57.3	0	0	0	109.8	G101 L103 V129 H160 D173 T176 F187 V188 A189 I190	G101-W158 CarbonylContact O-C 3.52Å; G101-W158 WeakPolarHBondContact O-CA 3.14Å; G101-W158 WeakPolarHBondContact O-CB 3.31Å; L103-W158 VanDerWaalsContact CD1-O 3.24Å; L103-W158 WeakPolarHBondContact CD1-O 3.49Å; V129-W158 HydrophobicContact CG1-CZ3 4.34Å; W158-H160 HydrophobicContact CE3-CB 4.29Å; W158-H160 AromaticContact CH2-CE1 3.58Å; W158-H160 AromaticContact CH2-ND1 3.51Å; W158-H160 HydrophobicContact CZ3-CB 3.85Å; W158-H160 AromaticContact CZ3-CG 3.7Å; W158-H160 AromaticContact CZ3-ND1 3.46Å; W158-H160 WeakPolarHBondContact CZ3-ND1 3.08Å; W158-D173 HydrophobicContact CH2-CB 4.37Å; W158-D173 HydrophobicContact CZ2-CB 4.5Å; W158-T176 HydrophobicContact CH2-CG2 4.23Å; W158-T176 HydrophobicContact CZ2-CG2 4.05Å; W158-F187 HydrophobicContact CB-CE1 4.24Å; W158-F187 AromaticContact CD1-CD1 3.98Å; W158-F187 AromaticContact CD1-CE1 3.49Å; W158-F187 VanDerWaalsContact CD1-CE1 3.49Å; W158-F187 HydrophobicContact CG-CE1 4.14Å; W158-V188 PolarHBondContact N-O 3.46Å; W158-A189 HydrophobicContact CZ2-CB 4.27Å; W158-A189 CarbonylContact O-C 3.51Å; W158-A189 WeakPolarHBondContact O-CA 3.3Å; W158-I190 PolarHBondContact O-N 2.9Å
159	Y	95.6	Very high	88.7	Confident	1 Å²	1	25.1 Å²	25.1	0%	0.004	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	153.9	168.1	72.4	-86.1	0	0	0	110.5	M87 H90 M100 G101 L103 I190 I192	M87-Y159 HydrophobicContact CB-CD2 4.14Å; M87-Y159 HydrophobicContact CB-CE2 4Å; M87-Y159 HydrophobicContact CG-CD1 3.75Å; M87-Y159 HydrophobicContact CG-CD2 3.94Å; M87-Y159 HydrophobicContact CG-CE1 3.72Å; M87-Y159 HydrophobicContact CG-CE2 3.91Å; M87-Y159 HydrophobicContact CG-CG 3.86Å; M87-Y159 HydrophobicContact SD-CD1 3.71Å; M87-Y159 HydrophobicContact SD-CD2 4.15Å; M87-Y159 HydrophobicContact SD-CE1 4.3Å; M87-Y159 HydrophobicContact SD-CG 3.62Å; H90-Y159 AromaticContact ND1-CE2 3.69Å; H90-Y159 AromaticContact ND1-CZ 3.64Å; H90-Y159 PolarHBondContact ND1-OH 2.96Å; M100-Y159 CarbonylContact C-O 3.52Å; M100-Y159 WeakPolarHBondContact CA-O 3.34Å; M100-Y159 WeakPolarHBondContact CB-O 3.38Å; G101-Y159 VanDerWaalsContact C-CD1 3.49Å; G101-Y159 VanDerWaalsContact C-CE1 3.44Å; G101-Y159 PolarHBondContact N-O 2.81Å; G101-Y159 PolarHBondContact O-N 3.29Å; L103-Y159 HydrophobicContact CD2-CD1 3.84Å; L103-Y159 HydrophobicContact CD2-CG 4.41Å; L103-Y159 HydrophobicContact CG-CD1 4.41Å; Y159-I190 CarbonylContact C-O 3.59Å; Y159-I190 WeakPolarHBondContact CA-O 3.15Å; Y159-I190 WeakPolarHBondContact CB-O 3.15Å; Y159-I192 HydrophobicContact CD2-CD1 4.35Å
160	H	94.2	Very high	89.4	Confident	5 Å²	5	21 Å²	21	2%	0.023	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	167.5	168.2	66.3	-65.6	0	0	0	111.7	V99 M100 W158 H162 D173 I190 V191 I192	V99-H160 CarbonylContact O-C 3.6Å; V99-H160 WeakPolarHBondContact O-CA 3.25Å; V99-H160 WeakPolarHBondContact O-CB 2.98Å; M100-H160 HydrophobicContact CB-CB 4.05Å; W158-H160 HydrophobicContact CE3-CB 4.29Å; W158-H160 AromaticContact CH2-CE1 3.58Å; W158-H160 AromaticContact CH2-ND1 3.51Å; W158-H160 HydrophobicContact CZ3-CB 3.85Å; W158-H160 AromaticContact CZ3-CG 3.7Å; W158-H160 AromaticContact CZ3-ND1 3.46Å; W158-H160 WeakPolarHBondContact CZ3-ND1 3.08Å; H160-H162 AromaticContact CD2-CD2 3.69Å; H160-H162 AromaticContact CD2-NE2 3.58Å; H160-H162 AromaticContact NE2-CD2 3.77Å; H160-H162 AromaticContact NE2-CE1 3.99Å; H160-H162 AromaticContact NE2-NE2 3.22Å; H160-H162 PolarHBondContact NE2-NE2 2.98Å; H160-D173 IonicContact CD2-OD1 3.67Å; H160-D173 IonicContact CE1-OD1 3.49Å; H160-D173 IonicContact CE1-OD2 2.73Å; H160-D173 IonicContact NE2-OD1 2.67Å; H160-D173 PolarHBondContact NE2-OD1 2.64Å; H160-D173 VanDerWaalsContact NE2-OD1 3.16Å; H160-D173 IonicContact NE2-OD2 2.75Å; H160-D173 PolarHBondContact NE2-OD2 2.93Å; H160-I190 PolarHBondContact N-O 2.9Å; H160-V191 WeakPolarHBondContact O-CA 3.43Å; H160-I192 PolarHBondContact O-N 3.08Å
161	S	94.5	Very high	90.3	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.007	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	137	-179.2	65	0	0	0	0	112.9	L97 E98 V99 P163 I192	L97-S161 PolarHBondContact O-OG 3.32Å; E98-S161 WeakPolarHBondContact CA-OG 3.48Å; E98-S161 WeakPolarHBondContact CB-O 3.32Å; E98-S161 VanDerWaalsContact CG-O 3.3Å; E98-S161 WeakPolarHBondContact CG-O 3.39Å; V99-S161 PolarHBondContact N-OG 2.98Å; V99-S161 PolarHBondContact O-N 3.46Å; S161-P163 WeakPolarHBondContact O-CD 3.43Å; S161-I192 CarbonylContact C-O 3.45Å; S161-I192 WeakPolarHBondContact CA-O 3.4Å
162	H	94.3	Very high	91.1	Very high	3 Å²	3	18.4 Å²	18.4	1%	0.014	10%	0.101	C	C	.	.			trans	-112.3	92.8	167.4	-77.8	-173.5	0	0	0	109.2	E98 H160 G164 Y165 G166 W168 D173 V191 I192 D193	E98-H162 IonicContact OE1-CD2 2.96Å; E98-H162 PolarHBondContact OE1-CD2 2.96Å; E98-H162 IonicContact OE1-NE2 3.16Å; H160-H162 AromaticContact CD2-CD2 3.69Å; H160-H162 AromaticContact CD2-NE2 3.58Å; H160-H162 AromaticContact NE2-CD2 3.77Å; H160-H162 AromaticContact NE2-CE1 3.99Å; H160-H162 AromaticContact NE2-NE2 3.22Å; H160-H162 PolarHBondContact NE2-NE2 2.98Å; H162-G164 PolarHBondContact O-N 3.41Å; H162-Y165 HydrophobicContact CB-CD2 4.09Å; H162-G166 VanDerWaalsContact CB-O 3.27Å; H162-G166 WeakPolarHBondContact CB-O 3.14Å; H162-G166 PolarHBondContact ND1-O 3.43Å; H162-W168 PolarHBondContact CE1-O 2.85Å; H162-W168 AromaticContact ND1-NE1 3.92Å; H162-W168 PolarHBondContact ND1-O 3.32Å; H162-D173 IonicContact CE1-OD2 3.11Å; H162-D173 IonicContact NE2-OD2 3.21Å; H162-D173 PolarHBondContact NE2-OD2 2.81Å; H162-V191 HydrophobicContact CB-CG1 3.89Å; H162-I192 PolarHBondContact N-O 2.88Å; H162-D193 WeakPolarHBondContact O-CA 3.45Å; H162-D193 VanDerWaalsContact O-CB 3.3Å; H162-D193 WeakPolarHBondContact O-CB 3.34Å
163	P	93.2	Very high	92	Very high	3 Å²	3	15 Å²	15	2%	0.019	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	97.5	-173.5	27.9	-32.6	0	0	0	112	N96 S161 Y165 P194 I195	N96-P163 WeakPolarHBondContact O-CG 3.23Å; S161-P163 WeakPolarHBondContact O-CD 3.43Å; P163-Y165 HydrophobicContact CG-CE2 4.1Å; P163-Y165 WeakPolarHBondContact O-CD1 3.32Å; P163-Y165 WeakPolarHBondContact O-CE1 3.49Å; P163-Y165 VanDerWaalsContact O-CZ 3.27Å; P163-P194 HydrophobicContact CB-CG 4.35Å; P163-I195 HydrophobicContact CB-CD1 3.75Å; P163-I195 HydrophobicContact CB-CG1 4.02Å
164	G	91.8	Very high	92.7	Very high	4 Å²	4	14.3 Å²	14.3	4%	0.041	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.4	-6.8	173.5	0	0	0	0	0	115	H162 D193 R196	H162-G164 PolarHBondContact O-N 3.41Å; G164-D193 VanDerWaalsContact CA-OD2 3.23Å; G164-D193 WeakPolarHBondContact CA-OD2 3.35Å; G164-D193 VanDerWaalsContact N-CG 3.25Å; G164-D193 PolarHBondContact N-OD1 2.9Å; G164-D193 PolarHBondContact N-OD2 2.95Å; G164-D193 VanDerWaalsContact N-OD2 3.14Å; G164-R196 PolarHBondContact O-NE 3.31Å; G164-R196 VanDerWaalsContact O-NE 3.07Å; G164-R196 PolarHBondContact O-NH2 2.83Å
165	Y	90.2	Very high	93.1	Very high	56 Å²	56	15.1 Å²	15.1	22%	0.22	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-7.4	-170.5	-36.5	-40.6	0	0	0	113.7	H162 P163 W168 D193 R196 P229	H162-Y165 HydrophobicContact CB-CD2 4.09Å; P163-Y165 HydrophobicContact CG-CE2 4.1Å; P163-Y165 WeakPolarHBondContact O-CD1 3.32Å; P163-Y165 WeakPolarHBondContact O-CE1 3.49Å; P163-Y165 VanDerWaalsContact O-CZ 3.27Å; Y165-W168 PolarHBondContact O-NE1 3.29Å; Y165-D193 PolarHBondContact N-OD2 3.49Å; Y165-D193 VanDerWaalsContact N-OD2 3.08Å; Y165-R196 VanDerWaalsContact C-CZ 3.46Å; Y165-R196 PolarHBondContact O-NH2 3.29Å; Y165-P229 HydrophobicContact CD1-CG 3.79Å; Y165-P229 HydrophobicContact CG-CG 4.33Å
166	G	92.7	Very high	93.2	Very high	2 Å²	2	14.3 Å²	14.3	2%	0.021	8%	0.083	C	C	.	.			trans	85.8	177.1	-171.6	0	0	0	0	0	112.3	H162 D193 R196	H162-G166 VanDerWaalsContact CB-O 3.27Å; H162-G166 WeakPolarHBondContact CB-O 3.14Å; H162-G166 PolarHBondContact ND1-O 3.43Å; G166-D193 WeakPolarHBondContact CA-OD2 3.21Å; G166-D193 PolarHBondContact N-OD2 3.32Å; G166-R196 VanDerWaalsContact N-NE 3.2Å
167	C	95.2	Very high	93.3	Very high	11 Å²	11	14.1 Å²	14.1	7%	0.074	8%	0.082	C	C	.	.	S	Bend	trans	-101.9	106.3	-177.2	-64.6	0	0	0	0	110.6	V191 N204 F208	C167-V191 HydrophobicContact CB-CB 4Å; C167-V191 HydrophobicContact CB-CG1 4.14Å; C167-V191 PolarHBondContact SG-O 3.14Å; C167-N204 PolarHBondContact SG-O 2.89Å; C167-N204 VanDerWaalsContact SG-O 3.41Å; C167-N204 PolarHBondContact SG-OD1 3.27Å; C167-F208 HydrophobicContact CB-CE2 4.32Å; C167-F208 HydrophobicContact CB-CZ 4.3Å; C167-F208 VanDerWaalsContact O-CZ 3.27Å; C167-F208 WeakPolarHBondContact O-CZ 3.2Å
168	W	94.9	Very high	93.2	Very high	4 Å²	4	16.4 Å²	16.4	2%	0.015	9%	0.094	C	C	.	.			trans	-155.7	170.7	176.8	56.9	-80.1	0	0	0	108.9	H162 Y165 I228 K232 D235 F236 Y243	H162-W168 PolarHBondContact CE1-O 2.85Å; H162-W168 AromaticContact ND1-NE1 3.92Å; H162-W168 PolarHBondContact ND1-O 3.32Å; Y165-W168 PolarHBondContact O-NE1 3.29Å; W168-I228 HydrophobicContact CG-CD1 4.48Å; W168-I228 HydrophobicContact CZ2-CG2 4.45Å; W168-K232 HydrophobicContact CH2-CB 3.96Å; W168-K232 HydrophobicContact CH2-CD 4.42Å; W168-K232 HydrophobicContact CZ2-CB 3.64Å; W168-K232 HydrophobicContact CZ2-CD 4.31Å; W168-K232 HydrophobicContact CZ2-CG 4.08Å; W168-D235 HydrophobicContact CH2-CB 4.34Å; W168-D235 HydrophobicContact CZ3-CB 4.4Å; W168-D235 WeakPolarHBondContact CZ3-OD2 3.07Å; W168-F236 HydrophobicContact CB-CD2 3.8Å; W168-F236 HydrophobicContact CB-CE2 3.88Å; W168-F236 HydrophobicContact CD2-CB 4.24Å; W168-F236 AromaticContact CD2-CD2 3.8Å; W168-F236 HydrophobicContact CD2-CD2 3.8Å; W168-F236 HydrophobicContact CD2-CG 4.47Å; W168-F236 HydrophobicContact CE3-CB 3.78Å; W168-F236 AromaticContact CE3-CD2 3.69Å; W168-F236 HydrophobicContact CE3-CD2 3.69Å; W168-F236 HydrophobicContact CE3-CG 4.24Å; W168-F236 AromaticContact CG-CD2 3.84Å; W168-F236 HydrophobicContact CG-CD2 3.84Å; W168-F236 HydrophobicContact CG-CE2 4.34Å; W168-F236 HydrophobicContact CH2-CB 4.35Å; W168-F236 HydrophobicContact CZ3-CB 3.81Å; W168-Y243 WeakPolarHBondContact CB-OH 3.47Å
169	L	94.2	Very high	93.1	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.104	C	C	.	.			trans	-105	125.9	176.8	-57.8	-176.4	0	0	0	111.1	D173 V174 A189 V191 F208 T210 Y243	L169-D173 HydrophobicContact CB-CB 3.85Å; L169-D173 HydrophobicContact CD2-CB 3.95Å; L169-D173 HydrophobicContact CG-CB 4.42Å; L169-V174 HydrophobicContact CB-CG2 3.77Å; L169-V174 HydrophobicContact CD1-CG2 4.34Å; L169-A189 HydrophobicContact CD2-CB 4.12Å; L169-V191 HydrophobicContact CD2-CG2 3.67Å; L169-F208 HydrophobicContact CD1-CB 3.68Å; L169-F208 HydrophobicContact CD1-CG 4.33Å; L169-F208 HydrophobicContact CD2-CB 4.27Å; L169-F208 HydrophobicContact CD2-CD2 3.91Å; L169-F208 HydrophobicContact CD2-CG 4.32Å; L169-F208 HydrophobicContact CG-CB 3.95Å; L169-F208 HydrophobicContact CG-CD2 4.09Å; L169-F208 HydrophobicContact CG-CG 4.04Å; L169-T210 HydrophobicContact CD1-CG2 4.43Å; L169-Y243 HydrophobicContact CB-CD1 3.89Å; L169-Y243 HydrophobicContact CB-CE1 3.67Å; L169-Y243 HydrophobicContact CB-CG 4.39Å; L169-Y243 HydrophobicContact CD1-CD1 4.08Å; L169-Y243 HydrophobicContact CD1-CD2 4.33Å; L169-Y243 HydrophobicContact CD1-CG 3.9Å; L169-Y243 HydrophobicContact CG-CD1 4.3Å; L169-Y243 HydrophobicContact CG-CD2 4.38Å; L169-Y243 HydrophobicContact CG-CE1 4.36Å; L169-Y243 HydrophobicContact CG-CE2 4.47Å; L169-Y243 HydrophobicContact CG-CG 4.29Å; L169-Y243 PolarHBondContact N-OH 3.38Å; L169-Y243 WeakPolarHBondContact O-CE1 3.14Å
170	S	93	Very high	92.9	Very high	18 Å²	18	18.4 Å²	18.4	13%	0.126	11%	0.107	C	C	.	.			trans	-67.2	169.5	168.4	67.8	0	0	0	0	112.4	I172 D173 V174 D235	S170-I172 PolarHBondContact O-N 3.15Å; S170-I172 PolarHBondContact OG-N 2.66Å; S170-D173 WeakPolarHBondContact CB-OD2 3.31Å; S170-D173 PolarHBondContact N-OD2 2.82Å; S170-D173 PolarHBondContact O-N 3.37Å; S170-D173 VanDerWaalsContact O-N 3.14Å; S170-D173 WeakPolarHBondContact OG-CB 3.35Å; S170-D173 PolarHBondContact OG-N 3.22Å; S170-D173 PolarHBondContact OG-OD1 2.94Å; S170-D173 PolarHBondContact OG-OD2 2.86Å; S170-V174 WeakPolarHBondContact O-CG2 3.47Å; S170-V174 PolarHBondContact O-N 2.73Å; S170-D235 WeakPolarHBondContact CA-OD2 3.48Å; S170-D235 WeakPolarHBondContact CB-OD2 3.49Å
171	G	92.2	Very high	92.8	Very high	10 Å²	10	18.9 Å²	18.9	10%	0.103	11%	0.109	C	C	.	.	H	α-helix	trans	-58.2	-33.9	173.2	0	0	0	0	0	113.6	S175 D235 H239	G171-S175 WeakPolarHBondContact O-CB 3.19Å; G171-S175 PolarHBondContact O-N 3.41Å; G171-S175 VanDerWaalsContact O-N 3.11Å; G171-S175 PolarHBondContact O-OG 3.42Å; G171-D235 PolarHBondContact N-OD1 2.97Å; G171-D235 VanDerWaalsContact N-OD1 3.15Å; G171-D235 PolarHBondContact N-OD2 2.93Å; G171-H239 WeakPolarHBondContact CA-CD2 3.5Å; G171-H239 WeakPolarHBondContact CA-NE2 3.39Å
172	I	90.2	Very high	92.6	Very high	70 Å²	70	23.3 Å²	23.3	36%	0.359	14%	0.137	S	C	.	.	H	α-helix	trans	-71.4	-42.6	175.6	-63.2	173.2	0	0	0	110.3	E126 V129 S170 S175 T176	E126-I172 WeakPolarHBondContact O-CD1 3.39Å; V129-I172 HydrophobicContact CB-CG2 3.91Å; V129-I172 HydrophobicContact CG2-CG2 3.76Å; S170-I172 PolarHBondContact O-N 3.15Å; S170-I172 PolarHBondContact OG-N 2.66Å; I172-S175 PolarHBondContact O-N 2.96Å; I172-T176 WeakPolarHBondContact O-CB 3.37Å; I172-T176 PolarHBondContact O-N 3.34Å; I172-T176 PolarHBondContact O-OG1 2.96Å
173	D	93.1	Very high	92.3	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-64.6	-43	178.7	-62.2	-31.1	0	0	0	111.4	W158 H160 H162 L169 S170 S175 T176 Q177	W158-D173 HydrophobicContact CH2-CB 4.37Å; W158-D173 HydrophobicContact CZ2-CB 4.5Å; H160-D173 IonicContact CD2-OD1 3.67Å; H160-D173 IonicContact CE1-OD1 3.49Å; H160-D173 IonicContact CE1-OD2 2.73Å; H160-D173 IonicContact NE2-OD1 2.67Å; H160-D173 PolarHBondContact NE2-OD1 2.64Å; H160-D173 VanDerWaalsContact NE2-OD1 3.16Å; H160-D173 IonicContact NE2-OD2 2.75Å; H160-D173 PolarHBondContact NE2-OD2 2.93Å; H162-D173 IonicContact CE1-OD2 3.11Å; H162-D173 IonicContact NE2-OD2 3.21Å; H162-D173 PolarHBondContact NE2-OD2 2.81Å; L169-D173 HydrophobicContact CB-CB 3.85Å; L169-D173 HydrophobicContact CD2-CB 3.95Å; L169-D173 HydrophobicContact CG-CB 4.42Å; S170-D173 WeakPolarHBondContact CB-OD2 3.31Å; S170-D173 PolarHBondContact N-OD2 2.82Å; S170-D173 PolarHBondContact O-N 3.37Å; S170-D173 VanDerWaalsContact O-N 3.14Å; S170-D173 WeakPolarHBondContact OG-CB 3.35Å; S170-D173 PolarHBondContact OG-N 3.22Å; S170-D173 PolarHBondContact OG-OD1 2.94Å; S170-D173 PolarHBondContact OG-OD2 2.86Å; D173-S175 VanDerWaalsContact C-N 3.33Å; D173-S175 PolarHBondContact O-N 2.99Å; D173-T176 PolarHBondContact O-N 3.5Å; D173-Q177 VanDerWaalsContact O-CB 3.25Å; D173-Q177 WeakPolarHBondContact O-CB 3.07Å; D173-Q177 PolarHBondContact O-N 2.66Å
174	V	93.9	Very high	92	Very high	11 Å²	11	34.6 Å²	34.6	7%	0.067	18%	0.183	C	C	.	.	H	α-helix	trans	-58.9	-46.4	174.1	169.3	0	0	0	0	110.3	L169 S170 T176 Q177 L178 T210 H239 H242 Y243	L169-V174 HydrophobicContact CB-CG2 3.77Å; L169-V174 HydrophobicContact CD1-CG2 4.34Å; S170-V174 WeakPolarHBondContact O-CG2 3.47Å; S170-V174 PolarHBondContact O-N 2.73Å; V174-T176 PolarHBondContact O-N 2.87Å; V174-Q177 PolarHBondContact O-N 3.36Å; V174-L178 WeakPolarHBondContact O-CB 3.44Å; V174-L178 PolarHBondContact O-N 2.92Å; V174-T210 HydrophobicContact CB-CG2 4.45Å; V174-T210 HydrophobicContact CG1-CG2 4.03Å; V174-H239 HydrophobicContact CG2-CB 4.28Å; V174-H242 HydrophobicContact CG1-CB 3.88Å; V174-Y243 HydrophobicContact CG2-CD1 3.64Å; V174-Y243 HydrophobicContact CG2-CE1 4.04Å
175	S	92.5	Very high	91.9	Very high	71 Å²	71	37 Å²	37	50%	0.497	19%	0.193	S	C	.	.	H	α-helix	trans	-63.7	-41.3	179.1	-60.1	0	0	0	0	112.2	G171 I172 D173 T179	G171-S175 WeakPolarHBondContact O-CB 3.19Å; G171-S175 PolarHBondContact O-N 3.41Å; G171-S175 VanDerWaalsContact O-N 3.11Å; G171-S175 PolarHBondContact O-OG 3.42Å; I172-S175 PolarHBondContact O-N 2.96Å; D173-S175 VanDerWaalsContact C-N 3.33Å; D173-S175 PolarHBondContact O-N 2.99Å; S175-T179 WeakPolarHBondContact O-CB 3.4Å; S175-T179 PolarHBondContact O-N 3.23Å; S175-T179 PolarHBondContact O-OG1 3.17Å
176	T	90.6	Very high	92.1	Very high	13 Å²	13	34.9 Å²	34.9	8%	0.08	19%	0.186	C	C	.	.	H	α-helix	trans	-65.8	-48.2	177.5	-58.7	0	0	0	0	111.1	V129 W158 I172 D173 V174 L178 T179 N180	V129-T176 HydrophobicContact CG1-CG2 3.98Å; W158-T176 HydrophobicContact CH2-CG2 4.23Å; W158-T176 HydrophobicContact CZ2-CG2 4.05Å; I172-T176 WeakPolarHBondContact O-CB 3.37Å; I172-T176 PolarHBondContact O-N 3.34Å; I172-T176 PolarHBondContact O-OG1 2.96Å; D173-T176 PolarHBondContact O-N 3.5Å; V174-T176 PolarHBondContact O-N 2.87Å; T176-L178 PolarHBondContact O-N 2.88Å; T176-T179 WeakPolarHBondContact O-CB 3.41Å; T176-T179 PolarHBondContact O-N 2.91Å; T176-N180 PolarHBondContact O-N 3.38Å; T176-N180 PolarHBondContact O-ND2 3.47Å
177	Q	94.1	Very high	92.2	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-63.8	-41.4	178.6	178	57.9	17.5	0	0	111.8	D173 V174 T179 N180 Q181 F187 A189 T210	D173-Q177 VanDerWaalsContact O-CB 3.25Å; D173-Q177 WeakPolarHBondContact O-CB 3.07Å; D173-Q177 PolarHBondContact O-N 2.66Å; V174-Q177 PolarHBondContact O-N 3.36Å; Q177-T179 VanDerWaalsContact C-N 3.35Å; Q177-N180 PolarHBondContact O-N 2.93Å; Q177-Q181 WeakPolarHBondContact O-CB 3.43Å; Q177-Q181 PolarHBondContact O-N 3.48Å; Q177-F187 PolarHBondContact NE2-O 3.34Å; Q177-F187 VanDerWaalsContact NE2-O 3.1Å; Q177-A189 HydrophobicContact CG-CB 4.24Å; Q177-T210 HydrophobicContact CB-CG2 3.89Å; Q177-T210 HydrophobicContact CG-CG2 3.71Å
178	L	93.3	Very high	92.3	Very high	47 Å²	47	34.4 Å²	34.4	25%	0.246	18%	0.182	C	C	.	.	H	α-helix	trans	-62.9	-41.9	175.9	-179.2	64.5	0	0	0	111.6	V174 T176 Q181 T182 V213	V174-L178 WeakPolarHBondContact O-CB 3.44Å; V174-L178 PolarHBondContact O-N 2.92Å; T176-L178 PolarHBondContact O-N 2.88Å; L178-Q181 PolarHBondContact O-N 2.88Å; L178-T182 WeakPolarHBondContact O-CB 3.35Å; L178-T182 PolarHBondContact O-N 2.94Å; L178-T182 PolarHBondContact O-OG1 3.01Å; L178-V213 HydrophobicContact CD1-CG2 4.25Å; L178-V213 HydrophobicContact CD2-CG2 3.92Å
179	T	91.4	Very high	92.4	Very high	44 Å²	44	34.2 Å²	34.2	27%	0.27	18%	0.182	S	C	.	.	H	α-helix	trans	-60.7	-48.6	175	-60.6	0	0	0	0	110.6	S175 T176 Q177 Q181 T182 Y183	S175-T179 WeakPolarHBondContact O-CB 3.4Å; S175-T179 PolarHBondContact O-N 3.23Å; S175-T179 PolarHBondContact O-OG1 3.17Å; T176-T179 WeakPolarHBondContact O-CB 3.41Å; T176-T179 PolarHBondContact O-N 2.91Å; Q177-T179 VanDerWaalsContact C-N 3.35Å; T179-Q181 PolarHBondContact O-N 3.41Å; T179-T182 WeakPolarHBondContact O-CB 3.46Å; T179-T182 PolarHBondContact O-N 3.41Å; T179-T182 VanDerWaalsContact O-N 3.1Å; T179-Y183 HydrophobicContact CG2-CD2 3.84Å; T179-Y183 HydrophobicContact CG2-CE2 3.82Å; T179-Y183 WeakPolarHBondContact O-CD2 3.39Å; T179-Y183 PolarHBondContact O-N 3.34Å; T179-Y183 VanDerWaalsContact O-N 3.14Å
180	N	90.9	Very high	92.6	Very high	13 Å²	13	34.2 Å²	34.2	7%	0.07	18%	0.182	C	C	.	.	H	α-helix	trans	-63.3	-42.9	178.1	-70.4	-30.4	0	0	0	112	Y136 T176 Q177 T182 Y183 Q184 F187	Y136-N180 PolarHBondContact OH-OD1 2.89Å; Y136-N180 VanDerWaalsContact OH-OD1 3.11Å; T176-N180 PolarHBondContact O-N 3.38Å; T176-N180 PolarHBondContact O-ND2 3.47Å; Q177-N180 PolarHBondContact O-N 2.93Å; N180-T182 PolarHBondContact O-N 3.37Å; N180-Y183 PolarHBondContact O-N 3.36Å; N180-Q184 CarbonylContact O-C 3.42Å; N180-Q184 VanDerWaalsContact O-CA 3.32Å; N180-Q184 WeakPolarHBondContact O-CA 3.35Å; N180-Q184 WeakPolarHBondContact O-CB 3.44Å; N180-Q184 PolarHBondContact O-N 2.89Å; N180-F187 HydrophobicContact CB-CD1 3.37Å; N180-F187 HydrophobicContact CB-CE1 3.5Å; N180-F187 HydrophobicContact CB-CG 3.93Å; N180-F187 HydrophobicContact CB-CZ 4.18Å; N180-F187 WeakPolarHBondContact ND2-CE1 3.41Å
181	Q	93	Very high	92.8	Very high	14 Å²	14	33.4 Å²	33.4	7%	0.065	18%	0.176	C	C	.	.	H	α-helix	trans	-62.4	-29.7	173.6	-81.2	-177.3	-148	0	0	112.6	Q177 L178 T179 E185 F187 T210	Q177-Q181 WeakPolarHBondContact O-CB 3.43Å; Q177-Q181 PolarHBondContact O-N 3.48Å; L178-Q181 PolarHBondContact O-N 2.88Å; T179-Q181 PolarHBondContact O-N 3.41Å; Q181-E185 WeakPolarHBondContact CB-OE2 3.33Å; Q181-E185 WeakPolarHBondContact O-CB 3.44Å; Q181-F187 HydrophobicContact CG-CB 4Å; Q181-T210 PolarHBondContact NE2-O 3.07Å; Q181-T210 PolarHBondContact NE2-OG1 3.16Å; Q181-T210 PolarHBondContact OE1-OG1 3.09Å
182	T	90.7	Very high	93	Very high	94 Å²	94	32.9 Å²	32.9	58%	0.577	17%	0.171	S	C	*	.	H	α-helix	trans	-70.8	-41.2	177.6	-59.8	0	0	0	0	112	L178 T179 N180	L178-T182 WeakPolarHBondContact O-CB 3.35Å; L178-T182 PolarHBondContact O-N 2.94Å; L178-T182 PolarHBondContact O-OG1 3.01Å; T179-T182 WeakPolarHBondContact O-CB 3.46Å; T179-T182 PolarHBondContact O-N 3.41Å; T179-T182 VanDerWaalsContact O-N 3.1Å; N180-T182 PolarHBondContact O-N 3.37Å
183	Y	87.3	Confident	93.3	Very high	179 Å²	179	29.6 Å²	29.6	70%	0.702	15%	0.154	S	C	*	.	H	α-helix	trans	-98.7	-22.7	-174.5	-64.3	-67.2	0	0	0	114.1	T179 N180	T179-Y183 HydrophobicContact CG2-CD2 3.84Å; T179-Y183 HydrophobicContact CG2-CE2 3.82Å; T179-Y183 WeakPolarHBondContact O-CD2 3.39Å; T179-Y183 PolarHBondContact O-N 3.34Å; T179-Y183 VanDerWaalsContact O-N 3.14Å; N180-Y183 PolarHBondContact O-N 3.36Å
184	Q	86.3	Confident	93.4	Very high	64 Å²	64	29.8 Å²	29.8	30%	0.299	16%	0.155	S	C	.	.	S	Bend	trans	-140.8	67.5	-171.9	-58.7	-169.3	22.8	0	0	111.7	M139 N180 P186 F187	M139-Q184 VanDerWaalsContact CE-OE1 3.26Å; N180-Q184 CarbonylContact O-C 3.42Å; N180-Q184 VanDerWaalsContact O-CA 3.32Å; N180-Q184 WeakPolarHBondContact O-CA 3.35Å; N180-Q184 WeakPolarHBondContact O-CB 3.44Å; N180-Q184 PolarHBondContact O-N 2.89Å; Q184-P186 CarbonylContact O-C 3.56Å; Q184-F187 HydrophobicContact CB-CD2 4.01Å; Q184-F187 HydrophobicContact CB-CE2 4.29Å; Q184-F187 VanDerWaalsContact O-CB 3.31Å; Q184-F187 WeakPolarHBondContact O-CB 3.25Å; Q184-F187 WeakPolarHBondContact O-CD2 3.47Å
185	E	90.9	Very high	93.3	Very high	55 Å²	55	30.1 Å²	30.1	26%	0.257	16%	0.156	S	C	.	.	S	Bend	trans	-92.7	134.8	176.6	-158.7	66.6	-91.4	0	0	110.7	W67 Q181 F187 R209	W67-E185 HydrophobicContact CD2-CG 4.33Å; W67-E185 HydrophobicContact CG-CG 4.43Å; W67-E185 HydrophobicContact CZ2-CB 4.38Å; W67-E185 HydrophobicContact CZ2-CG 3.83Å; Q181-E185 WeakPolarHBondContact CB-OE2 3.33Å; Q181-E185 WeakPolarHBondContact O-CB 3.44Å; E185-F187 PolarHBondContact OE1-N 3.19Å; E185-R209 IonicContact OE1-CZ 3.98Å; E185-R209 IonicContact OE1-NH1 3.29Å; E185-R209 PolarHBondContact OE1-NH1 3.42Å; E185-R209 IonicContact OE1-NH2 3.76Å; E185-R209 PolarHBondContact OE1-NH2 3.37Å; E185-R209 IonicContact OE2-NH2 3.43Å; E185-R209 PolarHBondContact OE2-NH2 3.25Å; E185-R209 VanDerWaalsContact OE2-NH2 3.11Å
186	P	93.9	Very high	93.2	Very high	12 Å²	12	27.7 Å²	27.7	8%	0.078	14%	0.136	C	C	.	.	S	Bend	cis	-83.5	131	6.6	31.8	-33	0	0	0	115.2	V62 W67 F74 V107 M112 Q184	V62-P186 HydrophobicContact CG2-CG 4.26Å; W67-P186 HydrophobicContact CH2-CB 3.92Å; W67-P186 HydrophobicContact CH2-CG 3.86Å; W67-P186 HydrophobicContact CZ2-CB 4.38Å; W67-P186 HydrophobicContact CZ3-CB 4.09Å; W67-P186 HydrophobicContact CZ3-CG 4.24Å; F74-P186 HydrophobicContact CE2-CB 3.64Å; F74-P186 HydrophobicContact CZ-CB 3.69Å; F74-P186 HydrophobicContact CZ-CG 4.32Å; V107-P186 HydrophobicContact CG1-CB 4.02Å; V107-P186 HydrophobicContact CG1-CG 3.5Å; V107-P186 HydrophobicContact CG2-CG 4.21Å; M112-P186 HydrophobicContact CE-CB 3.71Å; Q184-P186 CarbonylContact O-C 3.56Å
187	F	95	Very high	93.3	Very high	3 Å²	3	28 Å²	28	1%	0.013	14%	0.138	C	C	.	.			trans	-126.3	147.2	179.1	-139.6	-108.5	0	0	0	115.4	V155 L156 G157 W158 Q177 N180 Q181 Q184 E185 R209	V155-F187 HydrophobicContact CG1-CE2 3.87Å; V155-F187 HydrophobicContact CG1-CZ 4.12Å; L156-F187 CarbonylContact O-C 3.57Å; L156-F187 WeakPolarHBondContact O-CA 3.47Å; G157-F187 VanDerWaalsContact CA-CZ 3.48Å; W158-F187 HydrophobicContact CB-CE1 4.24Å; W158-F187 AromaticContact CD1-CD1 3.98Å; W158-F187 AromaticContact CD1-CE1 3.49Å; W158-F187 VanDerWaalsContact CD1-CE1 3.49Å; W158-F187 HydrophobicContact CG-CE1 4.14Å; Q177-F187 PolarHBondContact NE2-O 3.34Å; Q177-F187 VanDerWaalsContact NE2-O 3.1Å; N180-F187 HydrophobicContact CB-CD1 3.37Å; N180-F187 HydrophobicContact CB-CE1 3.5Å; N180-F187 HydrophobicContact CB-CG 3.93Å; N180-F187 HydrophobicContact CB-CZ 4.18Å; N180-F187 WeakPolarHBondContact ND2-CE1 3.41Å; Q181-F187 HydrophobicContact CG-CB 4Å; Q184-F187 HydrophobicContact CB-CD2 4.01Å; Q184-F187 HydrophobicContact CB-CE2 4.29Å; Q184-F187 VanDerWaalsContact O-CB 3.31Å; Q184-F187 WeakPolarHBondContact O-CB 3.25Å; Q184-F187 WeakPolarHBondContact O-CD2 3.47Å; E185-F187 PolarHBondContact OE1-N 3.19Å; F187-R209 PolarHBondContact O-NH1 3.46Å
188	V	97.5	Very high	93	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	147.8	176.9	68.2	0	0	0	0	112.7	I77 L103 M112 L156 G157 W158 A207 F208 R209 L246	I77-V188 HydrophobicContact CD1-CG1 4Å; I77-V188 HydrophobicContact CD1-CG2 4.09Å; L103-V188 HydrophobicContact CD1-CG1 3.86Å; M112-V188 HydrophobicContact CE-CB 4.26Å; M112-V188 HydrophobicContact SD-CB 3.61Å; M112-V188 HydrophobicContact SD-CG1 4.11Å; M112-V188 HydrophobicContact SD-CG2 4.06Å; L156-V188 PolarHBondContact O-N 3.12Å; L156-V188 VanDerWaalsContact O-N 3.08Å; G157-V188 CarbonylContact C-O 3.48Å; G157-V188 WeakPolarHBondContact CA-O 3.44Å; W158-V188 PolarHBondContact N-O 3.46Å; V188-A207 HydrophobicContact CG2-CB 4.49Å; V188-F208 WeakPolarHBondContact CG2-O 3.12Å; V188-R209 HydrophobicContact CB-CG 4.5Å; V188-R209 HydrophobicContact CG2-CG 4.21Å; V188-L246 HydrophobicContact CG2-CD2 4.37Å
189	A	97.1	Very high	92.5	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	133.2	169.4	0	0	0	0	0	109.8	W158 L169 Q177 A207 F208	W158-A189 HydrophobicContact CZ2-CB 4.27Å; W158-A189 CarbonylContact O-C 3.51Å; W158-A189 WeakPolarHBondContact O-CA 3.3Å; L169-A189 HydrophobicContact CD2-CB 4.12Å; Q177-A189 HydrophobicContact CG-CB 4.24Å; A189-A207 CarbonylContact O-C 3.56Å; A189-A207 WeakPolarHBondContact O-CA 3.29Å; A189-F208 PolarHBondContact N-O 2.82Å; A189-F208 PolarHBondContact O-N 3Å
190	I	98.1	Very high	92	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	127.8	168.6	-70.3	179.2	0	0	0	109.2	I77 I79 M87 L103 V114 W158 Y159 H160 I192 L205 G206 A207	I77-I190 HydrophobicContact CD1-CD1 3.8Å; I77-I190 HydrophobicContact CD1-CG1 4.12Å; I79-I190 HydrophobicContact CD1-CD1 3.67Å; I79-I190 HydrophobicContact CG1-CD1 4.23Å; M87-I190 HydrophobicContact CE-CD1 4.44Å; M87-I190 HydrophobicContact SD-CG2 4.37Å; L103-I190 HydrophobicContact CD1-CB 4.12Å; L103-I190 HydrophobicContact CD1-CD1 3.49Å; L103-I190 VanDerWaalsContact CD1-CD1 3.49Å; L103-I190 HydrophobicContact CD1-CG1 3.65Å; L103-I190 HydrophobicContact CD2-CD1 3.92Å; L103-I190 HydrophobicContact CG-CD1 4.36Å; V114-I190 HydrophobicContact CG2-CD1 4.3Å; W158-I190 PolarHBondContact O-N 2.9Å; Y159-I190 CarbonylContact C-O 3.59Å; Y159-I190 WeakPolarHBondContact CA-O 3.15Å; Y159-I190 WeakPolarHBondContact CB-O 3.15Å; H160-I190 PolarHBondContact N-O 2.9Å; I190-I192 HydrophobicContact CG2-CD1 4.26Å; I190-I192 HydrophobicContact CG2-CG1 3.92Å; I190-L205 HydrophobicContact CG2-CD1 3.84Å; I190-L205 HydrophobicContact CG2-CD2 3.77Å; I190-L205 HydrophobicContact CG2-CG 3.65Å; I190-G206 CarbonylContact C-O 3.45Å; I190-G206 WeakPolarHBondContact CA-O 3.36Å; I190-A207 HydrophobicContact CG1-CB 4.09Å
191	V	97.3	Very high	91.5	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	135.7	172.6	-171.2	0	0	0	0	108.4	H160 H162 C167 L169 L205 G206 F208	H160-V191 WeakPolarHBondContact O-CA 3.43Å; H162-V191 HydrophobicContact CB-CG1 3.89Å; C167-V191 HydrophobicContact CB-CB 4Å; C167-V191 HydrophobicContact CB-CG1 4.14Å; C167-V191 PolarHBondContact SG-O 3.14Å; L169-V191 HydrophobicContact CD2-CG2 3.67Å; V191-L205 CarbonylContact O-C 3.52Å; V191-L205 VanDerWaalsContact O-CA 3.3Å; V191-L205 WeakPolarHBondContact O-CA 3.47Å; V191-G206 PolarHBondContact N-O 3.31Å; V191-G206 PolarHBondContact O-N 3.01Å; V191-F208 HydrophobicContact CB-CE2 4Å; V191-F208 HydrophobicContact CG2-CD2 3.79Å; V191-F208 HydrophobicContact CG2-CE2 3.65Å
192	I	96.9	Very high	91.2	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	130	177.8	-61.4	172.8	0	0	0	109.1	M87 L88 A91 Y159 H160 S161 H162 I190 P194 L205	M87-I192 HydrophobicContact CB-CD1 3.3Å; M87-I192 HydrophobicContact CE-CD1 4.26Å; M87-I192 HydrophobicContact CG-CD1 4.12Å; M87-I192 HydrophobicContact SD-CD1 3.9Å; L88-I192 HydrophobicContact CD2-CG2 3.8Å; A91-I192 HydrophobicContact CB-CG2 4.11Å; Y159-I192 HydrophobicContact CD2-CD1 4.35Å; H160-I192 PolarHBondContact O-N 3.08Å; S161-I192 CarbonylContact C-O 3.45Å; S161-I192 WeakPolarHBondContact CA-O 3.4Å; H162-I192 PolarHBondContact N-O 2.88Å; I190-I192 HydrophobicContact CG2-CD1 4.26Å; I190-I192 HydrophobicContact CG2-CG1 3.92Å; I192-P194 WeakPolarHBondContact O-CD 3.24Å; I192-L205 HydrophobicContact CD1-CD1 4.1Å; I192-L205 HydrophobicContact CG1-CB 4.4Å; I192-L205 HydrophobicContact CG1-CD1 3.88Å; I192-L205 HydrophobicContact CG1-CG 3.93Å
193	D	95.6	Very high	91.3	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.169	C	C	.	.			trans	-102.1	98	170.2	-171.6	-29.4	0	0	0	109.6	H162 G164 Y165 G166 I195 R196 T197 N204	H162-D193 WeakPolarHBondContact O-CA 3.45Å; H162-D193 VanDerWaalsContact O-CB 3.3Å; H162-D193 WeakPolarHBondContact O-CB 3.34Å; G164-D193 VanDerWaalsContact CA-OD2 3.23Å; G164-D193 WeakPolarHBondContact CA-OD2 3.35Å; G164-D193 VanDerWaalsContact N-CG 3.25Å; G164-D193 PolarHBondContact N-OD1 2.9Å; G164-D193 PolarHBondContact N-OD2 2.95Å; G164-D193 VanDerWaalsContact N-OD2 3.14Å; Y165-D193 PolarHBondContact N-OD2 3.49Å; Y165-D193 VanDerWaalsContact N-OD2 3.08Å; G166-D193 WeakPolarHBondContact CA-OD2 3.21Å; G166-D193 PolarHBondContact N-OD2 3.32Å; D193-I195 PolarHBondContact O-N 3Å; D193-I195 WeakPolarHBondContact OD1-CA 3.46Å; D193-I195 WeakPolarHBondContact OD1-CB 3.34Å; D193-I195 PolarHBondContact OD1-N 2.83Å; D193-R196 HydrophobicContact CB-CB 4.09Å; D193-R196 HydrophobicContact CB-CG 4.45Å; D193-R196 PolarHBondContact OD1-N 2.96Å; D193-R196 WeakPolarHBondContact OD2-CD 3.12Å; D193-R196 WeakPolarHBondContact OD2-CG 3.4Å; D193-R196 IonicContact OD2-NE 3.87Å; D193-R196 PolarHBondContact OD2-NE 2.79Å; D193-R196 VanDerWaalsContact OD2-NE 3.16Å; D193-T197 VanDerWaalsContact O-CB 3.27Å; D193-T197 WeakPolarHBondContact O-CB 3.25Å; D193-T197 PolarHBondContact O-N 2.93Å; D193-T197 PolarHBondContact O-OG1 3.45Å; D193-N204 HydrophobicContact CB-CB 4.09Å; D193-N204 PolarHBondContact N-O 2.86Å
194	P	94.7	Very high	91.7	Very high	6 Å²	6	25.9 Å²	25.9	4%	0.039	15%	0.148	C	C	.	.	H	α-helix	trans	-66.5	-28.6	-179.6	27.9	-35.2	0	0	0	111.8	A91 P163 I192 I198	A91-P194 HydrophobicContact CB-CB 3.95Å; A91-P194 HydrophobicContact CB-CG 4.04Å; P163-P194 HydrophobicContact CB-CG 4.35Å; I192-P194 WeakPolarHBondContact O-CD 3.24Å; P194-I198 WeakPolarHBondContact O-CD1 3.49Å; P194-I198 VanDerWaalsContact O-CG1 3.26Å; P194-I198 WeakPolarHBondContact O-CG1 3.27Å; P194-I198 PolarHBondContact O-N 3.32Å; P194-I198 VanDerWaalsContact O-N 3.11Å
195	I	92.3	Very high	92.2	Very high	18 Å²	18	24.1 Å²	24.1	9%	0.092	14%	0.14	C	C	.	.	H	α-helix	trans	-72.6	-55.7	-178.5	-64.1	-172.4	0	0	0	109.5	P163 D193 T197 I198 S199 Q280 Y283	P163-I195 HydrophobicContact CB-CD1 3.75Å; P163-I195 HydrophobicContact CB-CG1 4.02Å; D193-I195 PolarHBondContact O-N 3Å; D193-I195 WeakPolarHBondContact OD1-CA 3.46Å; D193-I195 WeakPolarHBondContact OD1-CB 3.34Å; D193-I195 PolarHBondContact OD1-N 2.83Å; I195-T197 PolarHBondContact O-N 3.08Å; I195-T197 VanDerWaalsContact O-N 3.17Å; I195-I198 PolarHBondContact O-N 2.83Å; I195-S199 PolarHBondContact O-N 2.83Å; I195-Q280 VanDerWaalsContact CG2-OE1 3.26Å; I195-Q280 PolarHBondContact O-OE1 3.22Å; I195-Y283 HydrophobicContact CG2-CD1 3.89Å; I195-Y283 HydrophobicContact CG2-CD2 3.44Å; I195-Y283 VanDerWaalsContact CG2-CD2 3.44Å; I195-Y283 HydrophobicContact CG2-CE1 4.36Å; I195-Y283 HydrophobicContact CG2-CE2 3.97Å; I195-Y283 HydrophobicContact CG2-CG 3.39Å
196	R	90.9	Very high	92.5	Very high	19 Å²	19	22 Å²	22	7%	0.072	13%	0.133	C	C	.	.	H	α-helix	trans	-59.2	-32.2	175.7	-70.5	-179.4	-166.7	-156.1	-4.4	112.4	G164 Y165 G166 D193 S200 N204 S227 Y283	G164-R196 PolarHBondContact O-NE 3.31Å; G164-R196 VanDerWaalsContact O-NE 3.07Å; G164-R196 PolarHBondContact O-NH2 2.83Å; Y165-R196 VanDerWaalsContact C-CZ 3.46Å; Y165-R196 PolarHBondContact O-NH2 3.29Å; G166-R196 VanDerWaalsContact N-NE 3.2Å; D193-R196 HydrophobicContact CB-CB 4.09Å; D193-R196 HydrophobicContact CB-CG 4.45Å; D193-R196 PolarHBondContact OD1-N 2.96Å; D193-R196 WeakPolarHBondContact OD2-CD 3.12Å; D193-R196 WeakPolarHBondContact OD2-CG 3.4Å; D193-R196 IonicContact OD2-NE 3.87Å; D193-R196 PolarHBondContact OD2-NE 2.79Å; D193-R196 VanDerWaalsContact OD2-NE 3.16Å; R196-S200 WeakPolarHBondContact O-CB 3.41Å; R196-S200 PolarHBondContact O-N 3.46Å; R196-S200 PolarHBondContact O-OG 2.97Å; R196-N204 HydrophobicContact CB-CB 3.94Å; R196-S227 PolarHBondContact NH1-O 2.84Å; R196-S227 VanDerWaalsContact NH1-O 3.07Å; R196-S227 PolarHBondContact NH2-O 3.38Å; R196-Y283 VanDerWaalsContact CG-OH 3.31Å; R196-Y283 WeakPolarHBondContact CG-OH 3.49Å; R196-Y283 PolarHBondContact NE-OH 2.96Å
197	T	91.7	Very high	92.7	Very high	19 Å²	19	21.4 Å²	21.4	12%	0.117	13%	0.129	C	C	.	.	H	α-helix	trans	-62.2	-45.9	174.5	-62.6	0	0	0	0	112.2	L88 D193 I195 G201 K202 V203 N204	L88-T197 HydrophobicContact CD2-CG2 4.02Å; D193-T197 VanDerWaalsContact O-CB 3.27Å; D193-T197 WeakPolarHBondContact O-CB 3.25Å; D193-T197 PolarHBondContact O-N 2.93Å; D193-T197 PolarHBondContact O-OG1 3.45Å; I195-T197 PolarHBondContact O-N 3.08Å; I195-T197 VanDerWaalsContact O-N 3.17Å; T197-G201 WeakPolarHBondContact O-CA 3.35Å; T197-G201 PolarHBondContact O-N 3.12Å; T197-K202 VanDerWaalsContact CA-O 3.32Å; T197-K202 WeakPolarHBondContact CA-O 3.06Å; T197-V203 HydrophobicContact CG2-CG2 4.32Å; T197-N204 PolarHBondContact OG1-N 2.87Å
198	I	87.5	Confident	92.8	Very high	56 Å²	56	21.9 Å²	21.9	29%	0.287	13%	0.131	S	C	.	.	H	α-helix	trans	-69.4	-43.7	178.9	-68.2	164.3	0	0	0	110.9	R92 P194 I195 A279 Q280	R92-I198 HydrophobicContact CG-CD1 4.33Å; P194-I198 WeakPolarHBondContact O-CD1 3.49Å; P194-I198 VanDerWaalsContact O-CG1 3.26Å; P194-I198 WeakPolarHBondContact O-CG1 3.27Å; P194-I198 PolarHBondContact O-N 3.32Å; P194-I198 VanDerWaalsContact O-N 3.11Å; I195-I198 PolarHBondContact O-N 2.83Å; I198-A279 HydrophobicContact CG2-CB 4.04Å; I198-Q280 HydrophobicContact CG2-CG 4.04Å
199	S	83.3	Confident	92.8	Very high	24 Å²	24	22.2 Å²	22.2	17%	0.168	13%	0.132	C	C	.	.	H	α-helix	trans	-63.6	-43.9	-179.4	-81	0	0	0	0	113	I195 Q280 Y283	I195-S199 PolarHBondContact O-N 2.83Å; S199-Q280 PolarHBondContact OG-OE1 3.19Å; S199-Y283 WeakPolarHBondContact OG-CD1 3.46Å
200	S	81.4	Confident	92.8	Very high	64 Å²	64	22.3 Å²	22.3	45%	0.448	13%	0.133	S	C	.	.	H	α-helix	trans	-89.1	-19.8	-176.6	67.2	0	0	0	0	114.1	R196 K202	R196-S200 WeakPolarHBondContact O-CB 3.41Å; R196-S200 PolarHBondContact O-N 3.46Å; R196-S200 PolarHBondContact O-OG 2.97Å; S200-K202 PolarHBondContact O-N 2.83Å; S200-K202 PolarHBondContact OG-N 2.9Å; S200-K202 PolarHBondContact OG-O 3.13Å
201	G	80.1	Confident	92.7	Very high	45 Å²	45	23.3 Å²	23.3	46%	0.464	14%	0.137	S	C	.	.	S	Bend	trans	74.5	-4.5	-171.4	0	0	0	0	0	114.4	T197	T197-G201 WeakPolarHBondContact O-CA 3.35Å; T197-G201 PolarHBondContact O-N 3.12Å
202	K	87.2	Confident	92.5	Very high	94 Å²	94	26.5 Å²	26.5	41%	0.409	16%	0.158	S	C	.	.	S	Bend	trans	-105.6	139.1	175.8	174.8	172	173.4	158.2	0	109.8	E37 T197 S200 N204	E37-K202 WeakPolarHBondContact O-CD 3.43Å; E37-K202 WeakPolarHBondContact O-CE 3.22Å; E37-K202 PolarHBondContact O-NZ 3.2Å; T197-K202 VanDerWaalsContact CA-O 3.32Å; T197-K202 WeakPolarHBondContact CA-O 3.06Å; S200-K202 PolarHBondContact O-N 2.83Å; S200-K202 PolarHBondContact OG-N 2.9Å; S200-K202 PolarHBondContact OG-O 3.13Å; K202-N204 PolarHBondContact O-N 2.84Å; K202-N204 VanDerWaalsContact O-N 3.11Å
203	V	92.5	Very high	92.1	Very high	18 Å²	18	32.6 Å²	32.6	11%	0.109	20%	0.195	C	C	.	.			trans	-64.3	117.1	177.9	179.4	0	0	0	0	110.3	N38 L84 L88 T197 L205	N38-V203 WeakPolarHBondContact OD1-CB 3.38Å; N38-V203 WeakPolarHBondContact OD1-CG2 3.36Å; N38-V203 PolarHBondContact OD1-N 2.8Å; L84-V203 HydrophobicContact CD1-CG1 4.01Å; L88-V203 HydrophobicContact CD1-CG1 4.25Å; L88-V203 HydrophobicContact CD1-CG2 3.75Å; L88-V203 HydrophobicContact CD2-CG1 4.12Å; T197-V203 HydrophobicContact CG2-CG2 4.32Å; V203-L205 HydrophobicContact CG1-CB 3.85Å; V203-L205 PolarHBondContact O-N 2.84Å
204	N	94.5	Very high	91.8	Very high	47 Å²	47	36.2 Å²	36.2	25%	0.251	23%	0.232	S	C	.	.			trans	-92.6	97.2	174.2	-160.1	-56	0	0	0	108.1	C167 D193 R196 T197 K202	C167-N204 PolarHBondContact SG-O 2.89Å; C167-N204 VanDerWaalsContact SG-O 3.41Å; C167-N204 PolarHBondContact SG-OD1 3.27Å; D193-N204 HydrophobicContact CB-CB 4.09Å; D193-N204 PolarHBondContact N-O 2.86Å; R196-N204 HydrophobicContact CB-CB 3.94Å; T197-N204 PolarHBondContact OG1-N 2.87Å; K202-N204 PolarHBondContact O-N 2.84Å; K202-N204 VanDerWaalsContact O-N 3.11Å
205	L	97	Very high	91.6	Very high	26 Å²	26	39.8 Å²	39.8	14%	0.136	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	129.6	-176.1	-176.7	160.6	0	0	0	109.1	I79 L84 M87 I190 V191 I192 V203 V248	I79-L205 HydrophobicContact CD1-CD1 3.88Å; I79-L205 HydrophobicContact CD1-CD2 3.72Å; L84-L205 HydrophobicContact CD1-CD1 3.56Å; M87-L205 HydrophobicContact CE-CD1 4.24Å; I190-L205 HydrophobicContact CG2-CD1 3.84Å; I190-L205 HydrophobicContact CG2-CD2 3.77Å; I190-L205 HydrophobicContact CG2-CG 3.65Å; V191-L205 CarbonylContact O-C 3.52Å; V191-L205 VanDerWaalsContact O-CA 3.3Å; V191-L205 WeakPolarHBondContact O-CA 3.47Å; I192-L205 HydrophobicContact CD1-CD1 4.1Å; I192-L205 HydrophobicContact CG1-CB 4.4Å; I192-L205 HydrophobicContact CG1-CD1 3.88Å; I192-L205 HydrophobicContact CG1-CG 3.93Å; V203-L205 HydrophobicContact CG1-CB 3.85Å; V203-L205 PolarHBondContact O-N 2.84Å; L205-V248 HydrophobicContact CD2-CG1 3.98Å; L205-V248 HydrophobicContact CD2-CG2 3.89Å
206	G	97.3	Very high	91.3	Very high	10 Å²	10	49.5 Å²	49.5	10%	0.103	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	147.1	170.9	0	0	0	0	0	110.7	I190 V191 F208	I190-G206 CarbonylContact C-O 3.45Å; I190-G206 WeakPolarHBondContact CA-O 3.36Å; V191-G206 PolarHBondContact N-O 3.31Å; V191-G206 PolarHBondContact O-N 3.01Å; G206-F208 VanDerWaalsContact C-CE2 3.43Å
207	A	98.3	Very high	91	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.008	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	134.9	173.6	0	0	0	0	0	109.5	I77 V188 A189 I190 S245 L246 V248	I77-A207 HydrophobicContact CB-CB 4.44Å; I77-A207 HydrophobicContact CD1-CB 4.05Å; I77-A207 HydrophobicContact CG2-CB 3.57Å; V188-A207 HydrophobicContact CG2-CB 4.49Å; A189-A207 CarbonylContact O-C 3.56Å; A189-A207 WeakPolarHBondContact O-CA 3.29Å; I190-A207 HydrophobicContact CG1-CB 4.09Å; A207-S245 CarbonylContact O-C 3.53Å; A207-S245 VanDerWaalsContact O-CA 3.24Å; A207-S245 WeakPolarHBondContact O-CA 3.35Å; A207-L246 HydrophobicContact CB-CB 4.27Å; A207-L246 PolarHBondContact O-N 2.83Å; A207-V248 HydrophobicContact CB-CG2 3.95Å
208	F	98	Very high	90.6	Very high	13 Å²	13	53.2 Å²	53.2	6%	0.057	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	149.4	-166.6	-53.2	-78.9	0	0	0	112.4	C167 L169 V188 A189 V191 G206 Y243 Y244	C167-F208 HydrophobicContact CB-CE2 4.32Å; C167-F208 HydrophobicContact CB-CZ 4.3Å; C167-F208 VanDerWaalsContact O-CZ 3.27Å; C167-F208 WeakPolarHBondContact O-CZ 3.2Å; L169-F208 HydrophobicContact CD1-CB 3.68Å; L169-F208 HydrophobicContact CD1-CG 4.33Å; L169-F208 HydrophobicContact CD2-CB 4.27Å; L169-F208 HydrophobicContact CD2-CD2 3.91Å; L169-F208 HydrophobicContact CD2-CG 4.32Å; L169-F208 HydrophobicContact CG-CB 3.95Å; L169-F208 HydrophobicContact CG-CD2 4.09Å; L169-F208 HydrophobicContact CG-CG 4.04Å; V188-F208 WeakPolarHBondContact CG2-O 3.12Å; A189-F208 PolarHBondContact N-O 2.82Å; A189-F208 PolarHBondContact O-N 3Å; V191-F208 HydrophobicContact CB-CE2 4Å; V191-F208 HydrophobicContact CG2-CD2 3.79Å; V191-F208 HydrophobicContact CG2-CE2 3.65Å; G206-F208 VanDerWaalsContact C-CE2 3.43Å; F208-Y243 HydrophobicContact CB-CD2 4.32Å; F208-Y243 AromaticContact CD1-CD2 3.68Å; F208-Y243 HydrophobicContact CD1-CD2 3.68Å; F208-Y243 AromaticContact CD1-CE2 3.82Å; F208-Y243 HydrophobicContact CD1-CE2 3.82Å; F208-Y243 HydrophobicContact CE1-CD2 4.38Å; F208-Y243 HydrophobicContact CE1-CE2 4.08Å; F208-Y243 HydrophobicContact CG-CD2 4.23Å; F208-Y244 VanDerWaalsContact CA-O 3.29Å; F208-Y244 WeakPolarHBondContact CA-O 3.34Å
209	R	97.5	Very high	89.9	Confident	6 Å²	6	58 Å²	58	2%	0.023	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	145.2	168.2	-75.2	-177.5	56	92	7.5	109.8	E185 F187 V188 Y243 Y244 L246	E185-R209 IonicContact OE1-CZ 3.98Å; E185-R209 IonicContact OE1-NH1 3.29Å; E185-R209 PolarHBondContact OE1-NH1 3.42Å; E185-R209 IonicContact OE1-NH2 3.76Å; E185-R209 PolarHBondContact OE1-NH2 3.37Å; E185-R209 IonicContact OE2-NH2 3.43Å; E185-R209 PolarHBondContact OE2-NH2 3.25Å; E185-R209 VanDerWaalsContact OE2-NH2 3.11Å; F187-R209 PolarHBondContact O-NH1 3.46Å; V188-R209 HydrophobicContact CB-CG 4.5Å; V188-R209 HydrophobicContact CG2-CG 4.21Å; R209-Y243 CarbonylContact O-C 3.53Å; R209-Y243 WeakPolarHBondContact O-CA 3.26Å; R209-Y243 WeakPolarHBondContact O-CB 2.96Å; R209-Y244 HydrophobicContact CB-CD1 4.41Å; R209-Y244 HydrophobicContact CB-CE1 3.75Å; R209-Y244 HydrophobicContact CB-CE2 4.19Å; R209-Y244 PolarHBondContact N-O 3.43Å; R209-Y244 PolarHBondContact NE-OH 2.97Å; R209-Y244 WeakPolarHBondContact O-CD1 3.42Å; R209-Y244 PolarHBondContact O-N 3.28Å; R209-L246 HydrophobicContact CB-CD1 4.12Å; R209-L246 HydrophobicContact CG-CD1 3.81Å
210	T	96.3	Very high	88.9	Confident	3 Å²	3	63 Å²	63	2%	0.018	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	147.1	178.3	52.7	0	0	0	0	111	L169 V174 Q177 Q181 H242	L169-T210 HydrophobicContact CD1-CG2 4.43Å; V174-T210 HydrophobicContact CB-CG2 4.45Å; V174-T210 HydrophobicContact CG1-CG2 4.03Å; Q177-T210 HydrophobicContact CB-CG2 3.89Å; Q177-T210 HydrophobicContact CG-CG2 3.71Å; Q181-T210 PolarHBondContact NE2-O 3.07Å; Q181-T210 PolarHBondContact NE2-OG1 3.16Å; Q181-T210 PolarHBondContact OE1-OG1 3.09Å; T210-H242 WeakPolarHBondContact CA-O 3.48Å
211	Y	95.4	Very high	87.7	Confident	21 Å²	21	62.6 Å²	62.6	8%	0.082	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-69.6	150.3	170.5	-65.7	-57	0	0	0	111.6	P71 H72 Y215 P217 K241 H242 Y244	P71-Y211 HydrophobicContact CB-CD1 4.13Å; H72-Y211 AromaticContact CE1-CE1 3.39Å; H72-Y211 WeakPolarHBondContact CE1-CE1 3.28Å; H72-Y211 AromaticContact CE1-CZ 3.78Å; H72-Y211 PolarHBondContact CE1-OH 2.69Å; H72-Y211 VanDerWaalsContact CE1-OH 3.31Å; H72-Y211 AromaticContact NE2-CE1 3.43Å; H72-Y211 WeakPolarHBondContact NE2-CE1 3.32Å; H72-Y211 AromaticContact NE2-CZ 3.58Å; H72-Y211 PolarHBondContact NE2-OH 2.86Å; Y211-Y215 AromaticContact CD1-CD1 3.5Å; Y211-Y215 HydrophobicContact CD1-CD1 3.5Å; Y211-Y215 VanDerWaalsContact CD1-CD1 3.5Å; Y211-Y215 AromaticContact CD1-CE1 3.59Å; Y211-Y215 HydrophobicContact CD1-CE1 3.59Å; Y211-Y215 HydrophobicContact CD2-CD1 4.38Å; Y211-Y215 HydrophobicContact CE1-CD1 4.13Å; Y211-Y215 AromaticContact CE1-CE1 3.75Å; Y211-Y215 HydrophobicContact CE1-CE1 3.75Å; Y211-Y215 AromaticContact CG-CD1 3.65Å; Y211-Y215 HydrophobicContact CG-CD1 3.65Å; Y211-Y215 HydrophobicContact CG-CE1 4.14Å; Y211-P217 HydrophobicContact CD2-CB 4.37Å; Y211-P217 HydrophobicContact CD2-CG 4.18Å; Y211-P217 HydrophobicContact CE2-CB 3.68Å; Y211-P217 HydrophobicContact CE2-CG 3.75Å; Y211-K241 WeakPolarHBondContact CD2-O 3.3Å; Y211-H242 PolarHBondContact N-O 3.34Å; Y211-Y244 AromaticContact CD1-CD1 3.93Å; Y211-Y244 HydrophobicContact CD1-CD1 3.93Å; Y211-Y244 HydrophobicContact CD1-CE1 4.32Å; Y211-Y244 AromaticContact CE1-CD1 3.41Å; Y211-Y244 HydrophobicContact CE1-CD1 3.41Å; Y211-Y244 VanDerWaalsContact CE1-CD1 3.41Å; Y211-Y244 HydrophobicContact CE1-CE1 4.09Å; Y211-Y244 HydrophobicContact CE1-CG 4.22Å; Y211-Y244 AromaticContact CZ-CD1 3.86Å
212	P	93	Very high	86.3	Confident	66 Å²	66	67 Å²	67	43%	0.429	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-59.2	150.4	170.8	-21.9	32.8	0	0	0	111.8	P71 G214 Y215	P71-P212 HydrophobicContact CG-CG 4.34Å; P212-G214 PolarHBondContact O-N 2.97Å; P212-Y215 VanDerWaalsContact O-CB 3.31Å; P212-Y215 WeakPolarHBondContact O-CB 3.47Å; P212-Y215 PolarHBondContact O-N 3.18Å
213	V	90.4	Very high	85.2	Confident	129 Å²	129	67 Å²	67	78%	0.782	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	126.8	177	-178.7	0	0	0	0	110.2	L178 Y215	L178-V213 HydrophobicContact CD1-CG2 4.25Å; L178-V213 HydrophobicContact CD2-CG2 3.92Å; V213-Y215 VanDerWaalsContact C-N 3.33Å
214	G	88.2	Confident	84.1	Confident	75 Å²	75	74 Å²	74	77%	0.773	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.1	-7.7	179.7	0	0	0	0	0	115.1	P212	P212-G214 PolarHBondContact O-N 2.97Å
215	Y	90.2	Very high	83.3	Confident	82 Å²	82	75 Å²	75	32%	0.322	43%	0.429	S	S	.	.			trans	-70.2	132.4	170.9	-176.4	-100.8	0	0	0	110.3	P71 Y211 P212 V213 P217	P71-Y215 HydrophobicContact CB-CE1 4.29Å; P71-Y215 HydrophobicContact CB-CE2 4.46Å; P71-Y215 HydrophobicContact CG-CD1 4.49Å; P71-Y215 HydrophobicContact CG-CD2 3.81Å; P71-Y215 HydrophobicContact CG-CE1 4.33Å; P71-Y215 HydrophobicContact CG-CE2 3.67Å; P71-Y215 HydrophobicContact CG-CG 4.22Å; Y211-Y215 AromaticContact CD1-CD1 3.5Å; Y211-Y215 HydrophobicContact CD1-CD1 3.5Å; Y211-Y215 VanDerWaalsContact CD1-CD1 3.5Å; Y211-Y215 AromaticContact CD1-CE1 3.59Å; Y211-Y215 HydrophobicContact CD1-CE1 3.59Å; Y211-Y215 HydrophobicContact CD2-CD1 4.38Å; Y211-Y215 HydrophobicContact CE1-CD1 4.13Å; Y211-Y215 AromaticContact CE1-CE1 3.75Å; Y211-Y215 HydrophobicContact CE1-CE1 3.75Å; Y211-Y215 AromaticContact CG-CD1 3.65Å; Y211-Y215 HydrophobicContact CG-CD1 3.65Å; Y211-Y215 HydrophobicContact CG-CE1 4.14Å; P212-Y215 VanDerWaalsContact O-CB 3.31Å; P212-Y215 WeakPolarHBondContact O-CB 3.47Å; P212-Y215 PolarHBondContact O-N 3.18Å; V213-Y215 VanDerWaalsContact C-N 3.33Å; Y215-P217 HydrophobicContact CE1-CB 4.12Å
216	R	86.2	Confident	82.5	Confident	222 Å²	222	77.3 Å²	77.3	84%	0.838	44%	0.439	S	S	*	.			trans	-106.5	113.3	170.3	-68	-176.1	-177.8	-173.7	0	107.5
217	P	85.5	Confident	81.8	Confident	37 Å²	37	77.5 Å²	77.5	24%	0.24	44%	0.439	C	S	.	.			trans	-59.6	152.6	173.4	26.5	-33.3	0	0	0	110	Y211 Y215	Y211-P217 HydrophobicContact CD2-CB 4.37Å; Y211-P217 HydrophobicContact CD2-CG 4.18Å; Y211-P217 HydrophobicContact CE2-CB 3.68Å; Y211-P217 HydrophobicContact CE2-CG 3.75Å; Y215-P217 HydrophobicContact CE1-CB 4.12Å
218	P	83	Confident	81.4	Confident	78 Å²	78	77.8 Å²	77.8	51%	0.506	44%	0.44	S	S	.	.			trans	-49.9	148.2	166.6	-22	32.9	0	0	0	110	D220	P218-D220 PolarHBondContact O-N 2.91Å
219	D	73.4	Confident	81	Confident	158 Å²	158	78 Å²	78	85%	0.845	44%	0.443	S	S	*	.			trans	-66.6	86.1	167.4	-81.1	-37.2	0	0	0	107.7
220	D	61.6	Low	80.5	Confident	127 Å²	127	79.7 Å²	79.7	68%	0.679	45%	0.452	S	S	*	.			trans	-65.5	153.3	169.9	-86.1	-24.1	0	0	0	109.3	P218	P218-D220 PolarHBondContact O-N 2.91Å
221	G	55.5	Low	80.1	Confident	57 Å²	57	84.9 Å²	84.9	59%	0.588	48%	0.479	S	S	*	.	S	Bend	trans	-55.2	175.3	176.6	0	0	0	0	0	112.8	S223	G221-S223 PolarHBondContact O-N 2.81Å
222	P	52.4	Low	79.8	Confident	136 Å²	136	84.7 Å²	84.7	88%	0.883	48%	0.479	S	S	*	.			trans	-53.7	115.8	-178.2	22.2	-31.9	0	0	0	110	E224	P222-E224 PolarHBondContact O-N 3.25Å
223	S	62.5	Low	79.5	Confident	94 Å²	94	84.6 Å²	84.6	66%	0.657	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-51.8	140.5	173.9	-175.4	0	0	0	0	109.2	G221 Y225	G221-S223 PolarHBondContact O-N 2.81Å; S223-Y225 PolarHBondContact O-N 2.83Å
224	E	69.2	Low	79.4	Confident	167 Å²	167	86.2 Å²	86.2	78%	0.78	47%	0.473	S	S	*	.	P	Polyproline II helix	trans	-53.3	128.1	176.7	-172.3	177.4	179.8	0	0	108.9	P222 Q226	P222-E224 PolarHBondContact O-N 3.25Å; E224-Q226 PolarHBondContact O-N 2.96Å; E224-Q226 VanDerWaalsContact O-N 3.14Å
225	Y	78.2	Confident	79.4	Confident	66 Å²	66	85.2 Å²	85.2	26%	0.259	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-65.5	118.7	-177.7	176.3	-108.9	0	0	0	109.8	S223 K318 K321 D322	S223-Y225 PolarHBondContact O-N 2.83Å; Y225-K318 HydrophobicContact CD2-CB 4.49Å; Y225-K318 HydrophobicContact CD2-CD 4.22Å; Y225-K318 HydrophobicContact CD2-CG 3.84Å; Y225-K318 HydrophobicContact CE1-CB 4.34Å; Y225-K318 HydrophobicContact CE2-CB 3.76Å; Y225-K318 HydrophobicContact CE2-CD 3.84Å; Y225-K318 HydrophobicContact CE2-CG 3.52Å; Y225-K321 HydrophobicContact CD1-CB 3.98Å; Y225-K321 HydrophobicContact CD1-CD 3.81Å; Y225-K321 HydrophobicContact CE1-CB 3.96Å; Y225-K321 HydrophobicContact CE1-CD 4.45Å; Y225-K321 HydrophobicContact CG-CD 4.29Å; Y225-D322 VanDerWaalsContact CE1-OD1 3.25Å; Y225-D322 WeakPolarHBondContact CE1-OD1 3.38Å; Y225-D322 PolarHBondContact OH-OD1 3.49Å; Y225-D322 PolarHBondContact OH-OD2 3.06Å; Y225-D322 VanDerWaalsContact OH-OD2 3.04Å
226	Q	80	Confident	79.4	Confident	76 Å²	76	82.8 Å²	82.8	36%	0.355	44%	0.441	S	S	.	.			trans	-104.9	130.8	176	-60.9	-176.4	39.8	0	0	109.8	E224 I228	E224-Q226 PolarHBondContact O-N 2.96Å; E224-Q226 VanDerWaalsContact O-N 3.14Å; Q226-I228 HydrophobicContact CB-CD1 4.3Å; Q226-I228 HydrophobicContact CB-CG1 4.14Å; Q226-I228 PolarHBondContact O-N 3.33Å
227	S	83.2	Confident	79.4	Confident	14 Å²	14	74.5 Å²	74.5	10%	0.098	43%	0.425	C	S	.	.			trans	-69.6	96.2	171.2	-48.3	0	0	0	0	109.1	R196 D322	R196-S227 PolarHBondContact NH1-O 2.84Å; R196-S227 VanDerWaalsContact NH1-O 3.07Å; R196-S227 PolarHBondContact NH2-O 3.38Å; S227-D322 WeakPolarHBondContact CB-OD1 3.36Å; S227-D322 PolarHBondContact OG-OD1 3.27Å
228	I	89.7	Confident	79.6	Confident	6 Å²	6	77.2 Å²	77.2	3%	0.031	44%	0.441	C	S	.	.			trans	-106.6	136.6	177.2	-63.1	174.9	0	0	0	108.2	W168 Q226 K232 F236 K294	W168-I228 HydrophobicContact CG-CD1 4.48Å; W168-I228 HydrophobicContact CZ2-CG2 4.45Å; Q226-I228 HydrophobicContact CB-CD1 4.3Å; Q226-I228 HydrophobicContact CB-CG1 4.14Å; Q226-I228 PolarHBondContact O-N 3.33Å; I228-K232 HydrophobicContact CG2-CB 3.81Å; I228-F236 HydrophobicContact CD1-CB 3.7Å; I228-F236 HydrophobicContact CD1-CD1 3.26Å; I228-F236 HydrophobicContact CD1-CD2 3.3Å; I228-F236 HydrophobicContact CD1-CE1 3.56Å; I228-F236 HydrophobicContact CD1-CE2 3.6Å; I228-F236 HydrophobicContact CD1-CG 3.1Å; I228-F236 HydrophobicContact CD1-CZ 3.72Å; I228-F236 HydrophobicContact CG2-CB 4.4Å; I228-K294 VanDerWaalsContact O-CE 3.26Å; I228-K294 WeakPolarHBondContact O-CE 3.22Å; I228-K294 PolarHBondContact O-NZ 2.83Å
229	P	89.8	Confident	79.9	Confident	17 Å²	17	75.7 Å²	75.7	11%	0.11	43%	0.427	C	S	.	.			trans	-55.4	148.3	175.5	-25.9	34.6	0	0	0	113.1	Y165 D231 K232 I233 D290	Y165-P229 HydrophobicContact CD1-CG 3.79Å; Y165-P229 HydrophobicContact CG-CG 4.33Å; P229-D231 VanDerWaalsContact C-N 3.28Å; P229-D231 WeakPolarHBondContact CB-OD1 3.08Å; P229-D231 PolarHBondContact O-N 3.02Å; P229-K232 HydrophobicContact CB-CG 4.4Å; P229-K232 PolarHBondContact O-N 3.04Å; P229-I233 PolarHBondContact O-N 2.76Å; P229-D290 WeakPolarHBondContact CA-OD1 3.39Å
230	M	86.4	Confident	80.7	Confident	42 Å²	42	70 Å²	70	21%	0.207	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-34.1	-174.4	-163.4	65.4	-177.4	0	0	112.9	K232 I233 D290 K294 H297	M230-K232 PolarHBondContact O-N 2.56Å; M230-I233 VanDerWaalsContact O-CG2 3.27Å; M230-I233 WeakPolarHBondContact O-CG2 3.15Å; M230-I233 HydrophobicContact SD-CG2 4.23Å; M230-D290 WeakPolarHBondContact CB-OD1 2.89Å; M230-D290 PolarHBondContact N-OD1 3.49Å; M230-K294 HydrophobicContact SD-CG 3.69Å; M230-H297 HydrophobicContact CE-CB 3.65Å
231	D	88.2	Confident	82	Confident	113 Å²	113	70.7 Å²	70.7	60%	0.604	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-14.2	176.6	67.1	-55.9	0	0	0	113.5	P229	P229-D231 VanDerWaalsContact C-N 3.28Å; P229-D231 WeakPolarHBondContact CB-OD1 3.08Å; P229-D231 PolarHBondContact O-N 3.02Å
232	K	89.5	Confident	83.8	Confident	16 Å²	16	72.4 Å²	72.4	7%	0.07	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.9	-12	-178.7	-60.2	-60.3	-172.6	-114	0	114	E126 W168 I228 P229 M230 E234 D235 F236	E126-K232 WeakPolarHBondContact OE1-CE 3.42Å; E126-K232 IonicContact OE1-NZ 2.69Å; E126-K232 PolarHBondContact OE1-NZ 2.99Å; E126-K232 IonicContact OE2-NZ 2.76Å; E126-K232 PolarHBondContact OE2-NZ 3.07Å; W168-K232 HydrophobicContact CH2-CB 3.96Å; W168-K232 HydrophobicContact CH2-CD 4.42Å; W168-K232 HydrophobicContact CZ2-CB 3.64Å; W168-K232 HydrophobicContact CZ2-CD 4.31Å; W168-K232 HydrophobicContact CZ2-CG 4.08Å; I228-K232 HydrophobicContact CG2-CB 3.81Å; P229-K232 HydrophobicContact CB-CG 4.4Å; P229-K232 PolarHBondContact O-N 3.04Å; M230-K232 PolarHBondContact O-N 2.56Å; K232-E234 VanDerWaalsContact C-N 3.28Å; K232-E234 PolarHBondContact O-N 2.78Å; K232-D235 PolarHBondContact O-N 3.38Å; K232-F236 PolarHBondContact O-N 3.36Å
233	I	86.2	Confident	85.9	Confident	65 Å²	65	66.9 Å²	66.9	33%	0.333	35%	0.35	S	S	.	.	H	α-helix	trans	-63.2	-33.6	-170.5	-159.9	170.8	0	0	0	113.1	P229 M230 G237	P229-I233 PolarHBondContact O-N 2.76Å; M230-I233 VanDerWaalsContact O-CG2 3.27Å; M230-I233 WeakPolarHBondContact O-CG2 3.15Å; M230-I233 HydrophobicContact SD-CG2 4.23Å; I233-G237 PolarHBondContact O-N 2.87Å
234	E	88.4	Confident	87.4	Confident	163 Å²	163	63.3 Å²	63.3	76%	0.762	32%	0.322	S	S	*	.	H	α-helix	trans	-68.3	-48.1	178.5	-65.2	-170.9	166	0	0	111.1	K232 G237 V238	K232-E234 VanDerWaalsContact C-N 3.28Å; K232-E234 PolarHBondContact O-N 2.78Å; E234-G237 PolarHBondContact O-N 3.37Å; E234-V238 WeakPolarHBondContact O-CG2 3.44Å; E234-V238 PolarHBondContact O-N 3.14Å
235	D	89.3	Confident	88.7	Confident	53 Å²	53	59.3 Å²	59.3	28%	0.283	31%	0.312	S	S	.	.	H	α-helix	trans	-61.5	-46.6	179	-172.8	47.1	0	0	0	111	W168 S170 G171 K232 G237 V238 H239	W168-D235 HydrophobicContact CH2-CB 4.34Å; W168-D235 HydrophobicContact CZ3-CB 4.4Å; W168-D235 WeakPolarHBondContact CZ3-OD2 3.07Å; S170-D235 WeakPolarHBondContact CA-OD2 3.48Å; S170-D235 WeakPolarHBondContact CB-OD2 3.49Å; G171-D235 PolarHBondContact N-OD1 2.97Å; G171-D235 VanDerWaalsContact N-OD1 3.15Å; G171-D235 PolarHBondContact N-OD2 2.93Å; K232-D235 PolarHBondContact O-N 3.38Å; D235-G237 PolarHBondContact O-N 3.2Å; D235-V238 PolarHBondContact O-N 3.46Å; D235-H239 WeakPolarHBondContact O-CB 3.4Å; D235-H239 PolarHBondContact O-CD2 2.83Å; D235-H239 VanDerWaalsContact O-CD2 3.25Å; D235-H239 PolarHBondContact O-N 3.21Å; D235-H239 VanDerWaalsContact O-N 3.1Å; D235-H239 IonicContact OD1-CD2 3.53Å; D235-H239 PolarHBondContact OD1-CD2 3.26Å; D235-H239 IonicContact OD1-NE2 3.14Å
236	F	89.1	Confident	89.6	Confident	32 Å²	32	56.4 Å²	56.4	14%	0.14	30%	0.301	C	S	.	.	H	α-helix	trans	-57	-48.3	172.4	174.5	-101.2	0	0	0	112.2	W168 I228 K232 V238 H239 C240	W168-F236 HydrophobicContact CB-CD2 3.8Å; W168-F236 HydrophobicContact CB-CE2 3.88Å; W168-F236 HydrophobicContact CD2-CB 4.24Å; W168-F236 AromaticContact CD2-CD2 3.8Å; W168-F236 HydrophobicContact CD2-CD2 3.8Å; W168-F236 HydrophobicContact CD2-CG 4.47Å; W168-F236 HydrophobicContact CE3-CB 3.78Å; W168-F236 AromaticContact CE3-CD2 3.69Å; W168-F236 HydrophobicContact CE3-CD2 3.69Å; W168-F236 HydrophobicContact CE3-CG 4.24Å; W168-F236 AromaticContact CG-CD2 3.84Å; W168-F236 HydrophobicContact CG-CD2 3.84Å; W168-F236 HydrophobicContact CG-CE2 4.34Å; W168-F236 HydrophobicContact CH2-CB 4.35Å; W168-F236 HydrophobicContact CZ3-CB 3.81Å; I228-F236 HydrophobicContact CD1-CB 3.7Å; I228-F236 HydrophobicContact CD1-CD1 3.26Å; I228-F236 HydrophobicContact CD1-CD2 3.3Å; I228-F236 HydrophobicContact CD1-CE1 3.56Å; I228-F236 HydrophobicContact CD1-CE2 3.6Å; I228-F236 HydrophobicContact CD1-CG 3.1Å; I228-F236 HydrophobicContact CD1-CZ 3.72Å; I228-F236 HydrophobicContact CG2-CB 4.4Å; K232-F236 PolarHBondContact O-N 3.36Å; F236-V238 VanDerWaalsContact C-N 3.28Å; F236-V238 PolarHBondContact O-N 2.89Å; F236-H239 PolarHBondContact O-N 2.87Å; F236-C240 HydrophobicContact CD1-CB 4.41Å; F236-C240 HydrophobicContact CD2-CB 4.07Å; F236-C240 HydrophobicContact CE1-CB 4.1Å; F236-C240 HydrophobicContact CE2-CB 3.74Å; F236-C240 HydrophobicContact CG-CB 4.41Å; F236-C240 HydrophobicContact CZ-CB 3.76Å; F236-C240 WeakPolarHBondContact O-CB 3.14Å; F236-C240 PolarHBondContact O-N 3.38Å; F236-C240 PolarHBondContact O-SG 3.43Å
237	G	87.1	Confident	90.4	Very high	47 Å²	47	58.7 Å²	58.7	49%	0.485	31%	0.312	S	S	.	.	H	α-helix	trans	-62	-33.7	-176.3	0	0	0	0	0	113.7	I233 E234 D235	I233-G237 PolarHBondContact O-N 2.87Å; E234-G237 PolarHBondContact O-N 3.37Å; D235-G237 PolarHBondContact O-N 3.2Å
238	V	88.2	Confident	91	Very high	95 Å²	95	59.3 Å²	59.3	58%	0.576	32%	0.315	S	S	*	.	H	α-helix	trans	-75.8	-38.1	177.2	175.1	0	0	0	0	111.3	E234 D235 F236 H242	E234-V238 WeakPolarHBondContact O-CG2 3.44Å; E234-V238 PolarHBondContact O-N 3.14Å; D235-V238 PolarHBondContact O-N 3.46Å; F236-V238 VanDerWaalsContact C-N 3.28Å; F236-V238 PolarHBondContact O-N 2.89Å; V238-H242 PolarHBondContact O-CE1 2.95Å; V238-H242 PolarHBondContact O-ND1 3.31Å
239	H	90.5	Very high	91.3	Very high	46 Å²	46	59.3 Å²	59.3	21%	0.213	32%	0.316	C	S	.	.	H	α-helix	trans	-102.2	-17.1	-167.5	-67.6	-67.3	0	0	0	115.5	G171 V174 D235 F236 K241 H242 Y243	G171-H239 WeakPolarHBondContact CA-CD2 3.5Å; G171-H239 WeakPolarHBondContact CA-NE2 3.39Å; V174-H239 HydrophobicContact CG2-CB 4.28Å; D235-H239 WeakPolarHBondContact O-CB 3.4Å; D235-H239 PolarHBondContact O-CD2 2.83Å; D235-H239 VanDerWaalsContact O-CD2 3.25Å; D235-H239 PolarHBondContact O-N 3.21Å; D235-H239 VanDerWaalsContact O-N 3.1Å; D235-H239 IonicContact OD1-CD2 3.53Å; D235-H239 PolarHBondContact OD1-CD2 3.26Å; D235-H239 IonicContact OD1-NE2 3.14Å; F236-H239 PolarHBondContact O-N 2.87Å; H239-K241 PolarHBondContact O-N 2.69Å; H239-H242 WeakPolarHBondContact O-CB 3.46Å; H239-H242 PolarHBondContact O-N 2.83Å; H239-H242 PolarHBondContact O-ND1 2.99Å; H239-Y243 WeakPolarHBondContact O-CD1 3.13Å; H239-Y243 WeakPolarHBondContact O-CE1 3.4Å
240	C	88.9	Confident	91.5	Very high	39 Å²	39	59.2 Å²	59.2	26%	0.264	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-57.9	-21.9	-174.6	65.5	0	0	0	0	115.4	F236	F236-C240 HydrophobicContact CD1-CB 4.41Å; F236-C240 HydrophobicContact CD2-CB 4.07Å; F236-C240 HydrophobicContact CE1-CB 4.1Å; F236-C240 HydrophobicContact CE2-CB 3.74Å; F236-C240 HydrophobicContact CG-CB 4.41Å; F236-C240 HydrophobicContact CZ-CB 3.76Å; F236-C240 WeakPolarHBondContact O-CB 3.14Å; F236-C240 PolarHBondContact O-N 3.38Å; F236-C240 PolarHBondContact O-SG 3.43Å
241	K	90.7	Very high	91.7	Very high	141 Å²	141	57.2 Å²	57.2	61%	0.613	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-85.7	-1.5	176.3	-62.5	-167.8	175.8	-165.1	0	114.6	Y211 H239	Y211-K241 WeakPolarHBondContact CD2-O 3.3Å; H239-K241 PolarHBondContact O-N 2.69Å
242	H	93.3	Very high	91.8	Very high	92 Å²	92	52.9 Å²	52.9	43%	0.426	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-94.5	-4	-176.9	-64.5	84.4	0	0	0	113.5	V174 T210 Y211 V238 H239	V174-H242 HydrophobicContact CG1-CB 3.88Å; T210-H242 WeakPolarHBondContact CA-O 3.48Å; Y211-H242 PolarHBondContact N-O 3.34Å; V238-H242 PolarHBondContact O-CE1 2.95Å; V238-H242 PolarHBondContact O-ND1 3.31Å; H239-H242 WeakPolarHBondContact O-CB 3.46Å; H239-H242 PolarHBondContact O-N 2.83Å; H239-H242 PolarHBondContact O-ND1 2.99Å
243	Y	95.2	Very high	91.6	Very high	20 Å²	20	52.7 Å²	52.7	8%	0.078	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	165.5	-178.6	59.3	-92.9	0	0	0	111.2	W168 L169 V174 F208 R209 H239	W168-Y243 WeakPolarHBondContact CB-OH 3.47Å; L169-Y243 HydrophobicContact CB-CD1 3.89Å; L169-Y243 HydrophobicContact CB-CE1 3.67Å; L169-Y243 HydrophobicContact CB-CG 4.39Å; L169-Y243 HydrophobicContact CD1-CD1 4.08Å; L169-Y243 HydrophobicContact CD1-CD2 4.33Å; L169-Y243 HydrophobicContact CD1-CG 3.9Å; L169-Y243 HydrophobicContact CG-CD1 4.3Å; L169-Y243 HydrophobicContact CG-CD2 4.38Å; L169-Y243 HydrophobicContact CG-CE1 4.36Å; L169-Y243 HydrophobicContact CG-CE2 4.47Å; L169-Y243 HydrophobicContact CG-CG 4.29Å; L169-Y243 PolarHBondContact N-OH 3.38Å; L169-Y243 WeakPolarHBondContact O-CE1 3.14Å; V174-Y243 HydrophobicContact CG2-CD1 3.64Å; V174-Y243 HydrophobicContact CG2-CE1 4.04Å; F208-Y243 HydrophobicContact CB-CD2 4.32Å; F208-Y243 AromaticContact CD1-CD2 3.68Å; F208-Y243 HydrophobicContact CD1-CD2 3.68Å; F208-Y243 AromaticContact CD1-CE2 3.82Å; F208-Y243 HydrophobicContact CD1-CE2 3.82Å; F208-Y243 HydrophobicContact CE1-CD2 4.38Å; F208-Y243 HydrophobicContact CE1-CE2 4.08Å; F208-Y243 HydrophobicContact CG-CD2 4.23Å; R209-Y243 CarbonylContact O-C 3.53Å; R209-Y243 WeakPolarHBondContact O-CA 3.26Å; R209-Y243 WeakPolarHBondContact O-CB 2.96Å; H239-Y243 WeakPolarHBondContact O-CD1 3.13Å; H239-Y243 WeakPolarHBondContact O-CE1 3.4Å
244	Y	95.2	Very high	91.6	Very high	20 Å²	20	52.9 Å²	52.9	8%	0.078	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	155.4	171.5	64.9	-86.2	0	0	0	110.5	P71 H72 F74 F208 R209 Y211 L246	P71-Y244 WeakPolarHBondContact O-CE1 3.37Å; P71-Y244 PolarHBondContact O-OH 3.03Å; H72-Y244 AromaticContact CD2-CD2 3.9Å; H72-Y244 AromaticContact CD2-CG 3.76Å; H72-Y244 AromaticContact NE2-CG 3.96Å; F74-Y244 VanDerWaalsContact O-CE2 3.27Å; F74-Y244 WeakPolarHBondContact O-CE2 3.2Å; F208-Y244 VanDerWaalsContact CA-O 3.29Å; F208-Y244 WeakPolarHBondContact CA-O 3.34Å; R209-Y244 HydrophobicContact CB-CD1 4.41Å; R209-Y244 HydrophobicContact CB-CE1 3.75Å; R209-Y244 HydrophobicContact CB-CE2 4.19Å; R209-Y244 PolarHBondContact N-O 3.43Å; R209-Y244 PolarHBondContact NE-OH 2.97Å; R209-Y244 WeakPolarHBondContact O-CD1 3.42Å; R209-Y244 PolarHBondContact O-N 3.28Å; Y211-Y244 AromaticContact CD1-CD1 3.93Å; Y211-Y244 HydrophobicContact CD1-CD1 3.93Å; Y211-Y244 HydrophobicContact CD1-CE1 4.32Å; Y211-Y244 AromaticContact CE1-CD1 3.41Å; Y211-Y244 HydrophobicContact CE1-CD1 3.41Å; Y211-Y244 VanDerWaalsContact CE1-CD1 3.41Å; Y211-Y244 HydrophobicContact CE1-CE1 4.09Å; Y211-Y244 HydrophobicContact CE1-CG 4.22Å; Y211-Y244 AromaticContact CZ-CD1 3.86Å; Y244-L246 HydrophobicContact CD2-CD1 4.03Å; Y244-L246 HydrophobicContact CE2-CD1 3.58Å; Y244-L246 HydrophobicContact CE2-CG 4.32Å
245	S	95.8	Very high	91.5	Very high	82 Å²	82	51 Å²	51	57%	0.573	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.1	142.3	175.9	56.2	0	0	0	0	111.9	A207	A207-S245 CarbonylContact O-C 3.53Å; A207-S245 VanDerWaalsContact O-CA 3.24Å; A207-S245 WeakPolarHBondContact O-CA 3.35Å
246	L	97.3	Very high	91.4	Very high	5 Å²	5	49.5 Å²	49.5	3%	0.026	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	144.3	167.4	-75	69.2	0	0	0	109	F74 K75 I77 M112 V188 A207 R209 Y244 V248	F74-L246 HydrophobicContact CB-CD2 4.1Å; K75-L246 CarbonylContact O-C 3.55Å; K75-L246 WeakPolarHBondContact O-CA 3.41Å; I77-L246 HydrophobicContact CB-CB 4.34Å; I77-L246 HydrophobicContact CB-CD2 4.21Å; I77-L246 HydrophobicContact CG2-CB 4.13Å; M112-L246 HydrophobicContact CG-CD2 4.33Å; M112-L246 HydrophobicContact SD-CD2 3.92Å; V188-L246 HydrophobicContact CG2-CD2 4.37Å; A207-L246 HydrophobicContact CB-CB 4.27Å; A207-L246 PolarHBondContact O-N 2.83Å; R209-L246 HydrophobicContact CB-CD1 4.12Å; R209-L246 HydrophobicContact CG-CD1 3.81Å; Y244-L246 HydrophobicContact CD2-CD1 4.03Å; Y244-L246 HydrophobicContact CE2-CD1 3.58Å; Y244-L246 HydrophobicContact CE2-CG 4.32Å; L246-V248 PolarHBondContact O-N 2.73Å
247	E	96.7	Very high	91.3	Very high	124 Å²	124	52.5 Å²	52.5	58%	0.579	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.8	119.7	173.3	-178.8	-178.5	172.7	0	0	109.8	K75 W76 I77	K75-E247 PolarHBondContact O-N 3.28Å; W76-E247 WeakPolarHBondContact CA-O 3.29Å; W76-E247 VanDerWaalsContact CD1-OE2 3.32Å; W76-E247 PolarHBondContact NE1-OE2 3.25Å; I77-E247 PolarHBondContact N-O 3.37Å
248	V	96.6	Very high	91.4	Very high	28 Å²	28	58.4 Å²	58.4	17%	0.17	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	127.1	-176.3	-177.1	0	0	0	0	110.4	I77 I79 L205 A207 L246 H250	I77-V248 HydrophobicContact CG2-CB 4.11Å; I77-V248 HydrophobicContact CG2-CG1 4.33Å; I77-V248 HydrophobicContact CG2-CG2 3.67Å; I79-V248 HydrophobicContact CD1-CG1 3.82Å; L205-V248 HydrophobicContact CD2-CG1 3.98Å; L205-V248 HydrophobicContact CD2-CG2 3.89Å; A207-V248 HydrophobicContact CB-CG2 3.95Å; L246-V248 PolarHBondContact O-N 2.73Å; V248-H250 VanDerWaalsContact CG1-CE1 3.45Å; V248-H250 WeakPolarHBondContact CG1-CE1 3Å
249	S	95.8	Very high	91.4	Very high	6 Å²	6	58.6 Å²	58.6	4%	0.042	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	161.6	166.3	50.9	0	0	0	0	111	I77 K78 I79	I77-S249 PolarHBondContact O-N 3.43Å; I77-S249 PolarHBondContact O-OG 3.36Å; K78-S249 WeakPolarHBondContact CA-O 3.43Å; K78-S249 VanDerWaalsContact CG-OG 3.32Å; K78-S249 WeakPolarHBondContact CG-OG 3.27Å; K78-S249 PolarHBondContact NZ-OG 3.46Å; I79-S249 PolarHBondContact N-O 2.73Å
250	H	93.2	Very high	91.3	Very high	14 Å²	14	58.5 Å²	58.5	7%	0.065	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	145.8	-175.9	-59.9	-24	0	0	0	111.7	N38 N39 V40 E41 I79 V248	N38-H250 PolarHBondContact O-CD2 2.83Å; N39-H250 PolarHBondContact O-N 3.25Å; V40-H250 HydrophobicContact CG2-CB 4.3Å; E41-H250 PolarHBondContact N-O 2.97Å; I79-H250 WeakPolarHBondContact O-CA 3.46Å; V248-H250 VanDerWaalsContact CG1-CE1 3.45Å; V248-H250 WeakPolarHBondContact CG1-CE1 3Å
251	F	91.4	Very high	91.3	Very high	1 Å²	1	58.5 Å²	58.5	0%	0.004	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	158.6	175.8	69.5	-80	0	0	0	111.3	I43 Y50 F51 K78 I79 S80 A81 I113 V115	I43-F251 HydrophobicContact CD1-CB 3.67Å; Y50-F251 HydrophobicContact CD2-CB 4.21Å; Y50-F251 HydrophobicContact CD2-CD2 4.06Å; Y50-F251 HydrophobicContact CD2-CG 4.05Å; Y50-F251 HydrophobicContact CG-CD2 4.38Å; Y50-F251 HydrophobicContact CG-CE2 4.49Å; F51-F251 HydrophobicContact CD2-CD2 4.37Å; F51-F251 AromaticContact CD2-CE2 3.92Å; F51-F251 HydrophobicContact CD2-CE2 3.92Å; F51-F251 HydrophobicContact CE1-CE2 4.05Å; F51-F251 AromaticContact CE2-CD2 3.64Å; F51-F251 HydrophobicContact CE2-CD2 3.64Å; F51-F251 AromaticContact CE2-CE2 3.41Å; F51-F251 HydrophobicContact CE2-CE2 3.41Å; F51-F251 VanDerWaalsContact CE2-CE2 3.41Å; F51-F251 HydrophobicContact CG-CE2 4.47Å; F51-F251 AromaticContact CZ-CD2 3.96Å; F51-F251 HydrophobicContact CZ-CD2 3.96Å; F51-F251 AromaticContact CZ-CE2 3.5Å; F51-F251 HydrophobicContact CZ-CE2 3.5Å; F51-F251 VanDerWaalsContact CZ-CE2 3.5Å; K78-F251 HydrophobicContact CB-CD1 3.81Å; K78-F251 HydrophobicContact CB-CE1 3.91Å; I79-F251 VanDerWaalsContact C-CE1 3.41Å; I79-F251 WeakPolarHBondContact O-CD1 3.29Å; I79-F251 PolarHBondContact O-N 3.3Å; S80-F251 CarbonylContact C-O 3.43Å; S80-F251 VanDerWaalsContact CA-O 3.31Å; S80-F251 WeakPolarHBondContact CA-O 3.45Å; S80-F251 VanDerWaalsContact N-CE1 3.26Å; A81-F251 PolarHBondContact N-O 2.94Å; I113-F251 HydrophobicContact CG2-CE1 3.89Å; I113-F251 HydrophobicContact CG2-CZ 3.72Å; V115-F251 HydrophobicContact CG1-CZ 4.48Å
252	K	88.4	Confident	91.2	Very high	21 Å²	21	55.3 Å²	55.3	9%	0.091	28%	0.282	C	S	.	.			trans	-143.1	139.5	179.7	56.9	-175.2	170.8	-172.8	0	109	E35 V47 A81 D256 K257 L260	E35-K252 IonicContact OE1-NZ 3.88Å; E35-K252 PolarHBondContact OE1-NZ 3.26Å; V47-K252 WeakPolarHBondContact CG1-O 3.25Å; A81-K252 HydrophobicContact CB-CB 3.91Å; K252-D256 HydrophobicContact CB-CB 3.99Å; K252-K257 HydrophobicContact CD-CB 4.26Å; K252-L260 HydrophobicContact CB-CD1 4.31Å; K252-L260 HydrophobicContact CD-CD1 3.84Å
253	S	87	Confident	91	Very high	13 Å²	13	54.2 Å²	54.2	9%	0.091	28%	0.28	C	S	.	.			trans	-67.7	171.1	174.3	66.2	0	0	0	0	111.9	D48 L255 D256 K257	D48-S253 VanDerWaalsContact OD1-CB 3.3Å; D48-S253 WeakPolarHBondContact OD1-CB 3.44Å; S253-L255 PolarHBondContact O-N 3.46Å; S253-L255 PolarHBondContact OG-N 2.99Å; S253-D256 WeakPolarHBondContact CB-OD2 3.24Å; S253-D256 PolarHBondContact N-OD2 3.35Å; S253-D256 PolarHBondContact O-N 3.11Å; S253-D256 WeakPolarHBondContact OG-CB 3.28Å; S253-D256 PolarHBondContact OG-N 3.26Å; S253-D256 PolarHBondContact OG-OD1 3.4Å; S253-D256 PolarHBondContact OG-OD2 2.87Å; S253-K257 WeakPolarHBondContact O-CB 3.3Å; S253-K257 PolarHBondContact O-N 2.89Å
254	V	86.5	Confident	90.6	Very high	68 Å²	68	55.7 Å²	55.7	41%	0.412	29%	0.285	S	S	.	.	H	α-helix	trans	-60.8	-36.1	172.5	-179.1	0	0	0	0	111.2	V47 D48 R258	V47-V254 HydrophobicContact CB-CG2 4.08Å; V47-V254 HydrophobicContact CG2-CG2 4.16Å; D48-V254 PolarHBondContact OD1-N 2.73Å; V254-R258 PolarHBondContact O-N 2.96Å
255	L	85.4	Confident	90.3	Very high	125 Å²	125	59.9 Å²	59.9	65%	0.654	31%	0.309	S	S	*	.	H	α-helix	trans	-71.1	-45.5	177.4	-177.9	61.8	0	0	0	111.4	S253 K257 R258 L259	S253-L255 PolarHBondContact O-N 3.46Å; S253-L255 PolarHBondContact OG-N 2.99Å; L255-K257 PolarHBondContact O-N 3.35Å; L255-R258 PolarHBondContact O-N 3.01Å; L255-R258 VanDerWaalsContact O-N 3.1Å; L255-L259 PolarHBondContact O-N 2.89Å
256	D	86.8	Confident	90	Very high	20 Å²	20	62.9 Å²	62.9	11%	0.107	31%	0.312	C	S	.	.	H	α-helix	trans	-58.3	-41.3	176.2	-62.3	-34.9	0	0	0	110.4	V82 K252 S253 R258 L259 L260	V82-D256 VanDerWaalsContact CG2-OD1 3.3Å; V82-D256 WeakPolarHBondContact CG2-OD1 3.29Å; K252-D256 HydrophobicContact CB-CB 3.99Å; S253-D256 WeakPolarHBondContact CB-OD2 3.24Å; S253-D256 PolarHBondContact N-OD2 3.35Å; S253-D256 PolarHBondContact O-N 3.11Å; S253-D256 WeakPolarHBondContact OG-CB 3.28Å; S253-D256 PolarHBondContact OG-N 3.26Å; S253-D256 PolarHBondContact OG-OD1 3.4Å; S253-D256 PolarHBondContact OG-OD2 2.87Å; D256-R258 VanDerWaalsContact C-N 3.34Å; D256-R258 PolarHBondContact O-N 2.89Å; D256-L259 PolarHBondContact O-N 3.42Å; D256-L260 VanDerWaalsContact O-CB 3.32Å; D256-L260 WeakPolarHBondContact O-CB 3.44Å; D256-L260 WeakPolarHBondContact O-CG 3.24Å; D256-L260 PolarHBondContact O-N 3.24Å
257	K	87.4	Confident	89.6	Confident	95 Å²	95	67.5 Å²	67.5	41%	0.413	33%	0.329	S	S	.	.	H	α-helix	trans	-56	-47.5	175.5	-177.4	176.1	179.2	173.4	0	111.8	K252 S253 L255 L259 L260 D261	K252-K257 HydrophobicContact CD-CB 4.26Å; S253-K257 WeakPolarHBondContact O-CB 3.3Å; S253-K257 PolarHBondContact O-N 2.89Å; L255-K257 PolarHBondContact O-N 3.35Å; K257-L259 VanDerWaalsContact C-N 3.33Å; K257-L259 PolarHBondContact O-N 2.99Å; K257-L260 PolarHBondContact O-N 3.49Å; K257-D261 WeakPolarHBondContact O-CB 3.05Å; K257-D261 PolarHBondContact O-N 2.82Å
258	R	88.7	Confident	89	Confident	171 Å²	171	66.1 Å²	66.1	65%	0.645	32%	0.319	S	S	*	.	H	α-helix	trans	-62.8	-39.8	178.1	-68.2	178.1	-177.9	-179.5	1.2	112.3	V254 L255 D256 S262	V254-R258 PolarHBondContact O-N 2.96Å; L255-R258 PolarHBondContact O-N 3.01Å; L255-R258 VanDerWaalsContact O-N 3.1Å; D256-R258 VanDerWaalsContact C-N 3.34Å; D256-R258 PolarHBondContact O-N 2.89Å; R258-S262 PolarHBondContact O-N 3.3Å; R258-S262 VanDerWaalsContact O-N 3.09Å; R258-S262 PolarHBondContact O-OG 3.39Å
259	L	88.2	Confident	88.6	Confident	100 Å²	100	68 Å²	68	52%	0.524	33%	0.331	S	S	.	.	H	α-helix	trans	-66.1	-48.8	176.9	178.6	61.8	0	0	0	111	L255 D256 K257 D261 S262 L263	L255-L259 PolarHBondContact O-N 2.89Å; D256-L259 PolarHBondContact O-N 3.42Å; K257-L259 VanDerWaalsContact C-N 3.33Å; K257-L259 PolarHBondContact O-N 2.99Å; L259-D261 VanDerWaalsContact C-N 3.33Å; L259-D261 PolarHBondContact O-N 3.05Å; L259-S262 WeakPolarHBondContact O-CB 3.36Å; L259-S262 PolarHBondContact O-N 2.82Å; L259-S262 VanDerWaalsContact O-N 3.1Å; L259-L263 HydrophobicContact CG-CD1 4.26Å; L259-L263 WeakPolarHBondContact O-CG 3.27Å; L259-L263 PolarHBondContact O-N 3.42Å
260	L	88.2	Confident	88	Confident	43 Å²	43	72.3 Å²	72.3	23%	0.225	35%	0.353	C	S	.	.	H	α-helix	trans	-62.1	-40	178.5	-68.7	170.3	0	0	0	111.7	A81 L85 K252 D256 K257 S262 L263 W264	A81-L260 HydrophobicContact CB-CD1 3.93Å; L85-L260 HydrophobicContact CD1-CD2 3.78Å; K252-L260 HydrophobicContact CB-CD1 4.31Å; K252-L260 HydrophobicContact CD-CD1 3.84Å; D256-L260 VanDerWaalsContact O-CB 3.32Å; D256-L260 WeakPolarHBondContact O-CB 3.44Å; D256-L260 WeakPolarHBondContact O-CG 3.24Å; D256-L260 PolarHBondContact O-N 3.24Å; K257-L260 PolarHBondContact O-N 3.49Å; L260-S262 VanDerWaalsContact C-N 3.3Å; L260-S262 PolarHBondContact O-N 3.49Å; L260-L263 HydrophobicContact CD2-CD1 4.45Å; L260-L263 PolarHBondContact O-N 3.21Å; L260-W264 WeakPolarHBondContact O-CB 3.47Å; L260-W264 PolarHBondContact O-N 3.34Å
261	D	88.5	Confident	87.4	Confident	39 Å²	39	75.4 Å²	75.4	21%	0.209	37%	0.373	C	S	.	.	H	α-helix	trans	-62.2	-39.7	173.7	-74.3	-26	0	0	0	111	R31 K257 L259 W264 N265	R31-D261 IonicContact CZ-OD1 3.94Å; R31-D261 IonicContact NH1-OD1 2.8Å; R31-D261 PolarHBondContact NH1-OD1 3.16Å; R31-D261 IonicContact NH1-OD2 3.83Å; K257-D261 WeakPolarHBondContact O-CB 3.05Å; K257-D261 PolarHBondContact O-N 2.82Å; L259-D261 VanDerWaalsContact C-N 3.33Å; L259-D261 PolarHBondContact O-N 3.05Å; D261-W264 PolarHBondContact O-N 3.46Å; D261-N265 WeakPolarHBondContact O-CB 3.5Å; D261-N265 PolarHBondContact O-N 2.8Å; D261-N265 PolarHBondContact O-ND2 2.95Å; D261-N265 VanDerWaalsContact O-ND2 3.16Å
262	S	90.5	Very high	86.9	Confident	74 Å²	74	78.3 Å²	78.3	52%	0.517	39%	0.388	S	S	.	.	H	α-helix	trans	-67.4	-41	176.4	-57.4	0	0	0	0	112.2	R258 L259 L260 K266	R258-S262 PolarHBondContact O-N 3.3Å; R258-S262 VanDerWaalsContact O-N 3.09Å; R258-S262 PolarHBondContact O-OG 3.39Å; L259-S262 WeakPolarHBondContact O-CB 3.36Å; L259-S262 PolarHBondContact O-N 2.82Å; L259-S262 VanDerWaalsContact O-N 3.1Å; L260-S262 VanDerWaalsContact C-N 3.3Å; L260-S262 PolarHBondContact O-N 3.49Å; S262-K266 WeakPolarHBondContact O-CB 3.33Å; S262-K266 PolarHBondContact O-N 3.08Å; S262-K266 VanDerWaalsContact O-N 3.17Å
263	L	88.2	Confident	86.6	Confident	70 Å²	70	81 Å²	81	37%	0.366	41%	0.41	S	S	.	.	H	α-helix	trans	-64.4	-43.7	174.5	-69.2	172.9	0	0	0	110.8	L259 L260 K266 Y267	L259-L263 HydrophobicContact CG-CD1 4.26Å; L259-L263 WeakPolarHBondContact O-CG 3.27Å; L259-L263 PolarHBondContact O-N 3.42Å; L260-L263 HydrophobicContact CD2-CD1 4.45Å; L260-L263 PolarHBondContact O-N 3.21Å; L263-K266 PolarHBondContact O-N 3.1Å; L263-K266 VanDerWaalsContact O-N 3.14Å; L263-Y267 HydrophobicContact CB-CD2 4.35Å; L263-Y267 HydrophobicContact CD2-CD2 4.11Å; L263-Y267 HydrophobicContact CD2-CE2 3.76Å; L263-Y267 WeakPolarHBondContact O-CB 3.44Å; L263-Y267 VanDerWaalsContact O-CD2 3.24Å; L263-Y267 WeakPolarHBondContact O-CD2 3.44Å; L263-Y267 PolarHBondContact O-N 3.01Å
264	W	86.8	Confident	86.4	Confident	51 Å²	51	82.9 Å²	82.9	19%	0.193	42%	0.423	C	S	.	.	H	α-helix	trans	-59.2	-49.8	176.5	-174.5	-109.5	0	0	0	111.2	S27 A30 R31 L260 D261 K266 Y267 W268	S27-W264 PolarHBondContact O-NE1 3.03Å; A30-W264 HydrophobicContact CB-CH2 4.12Å; A30-W264 HydrophobicContact CB-CZ2 3.68Å; R31-W264 HydrophobicContact CB-CZ2 4.49Å; L260-W264 WeakPolarHBondContact O-CB 3.47Å; L260-W264 PolarHBondContact O-N 3.34Å; D261-W264 PolarHBondContact O-N 3.46Å; W264-K266 PolarHBondContact O-N 3.26Å; W264-K266 VanDerWaalsContact O-N 3.11Å; W264-Y267 PolarHBondContact O-N 3.34Å; W264-W268 HydrophobicContact CD2-CB 4.2Å; W264-W268 HydrophobicContact CZ2-CB 4.22Å; W264-W268 VanDerWaalsContact O-CB 3.27Å; W264-W268 WeakPolarHBondContact O-CB 3.44Å; W264-W268 VanDerWaalsContact O-CD1 3.31Å; W264-W268 PolarHBondContact O-N 3.14Å
265	N	87.9	Confident	86.1	Confident	108 Å²	108	81.5 Å²	81.5	58%	0.578	41%	0.414	S	S	*	.	H	α-helix	trans	-58.4	-28.4	177.5	-72.1	-26.1	0	0	0	113.2	D261	D261-N265 WeakPolarHBondContact O-CB 3.5Å; D261-N265 PolarHBondContact O-N 2.8Å; D261-N265 PolarHBondContact O-ND2 2.95Å; D261-N265 VanDerWaalsContact O-ND2 3.16Å
266	K	90.4	Very high	85.6	Confident	145 Å²	145	77.9 Å²	77.9	63%	0.63	40%	0.399	S	S	*	.	H	α-helix	trans	-86.3	-37.5	178.6	-172.7	174.1	179.2	-171.9	0	113.5	S262 L263 W264	S262-K266 WeakPolarHBondContact O-CB 3.33Å; S262-K266 PolarHBondContact O-N 3.08Å; S262-K266 VanDerWaalsContact O-N 3.17Å; L263-K266 PolarHBondContact O-N 3.1Å; L263-K266 VanDerWaalsContact O-N 3.14Å; W264-K266 PolarHBondContact O-N 3.26Å; W264-K266 VanDerWaalsContact O-N 3.11Å
267	Y	88	Confident	85	Confident	102 Å²	102	78.9 Å²	78.9	40%	0.4	40%	0.404	S	S	.	.	H	α-helix	trans	-115	-3	-166.1	-63.7	-68	0	0	0	114.9	L263 W264 V269 N270 T271	L263-Y267 HydrophobicContact CB-CD2 4.35Å; L263-Y267 HydrophobicContact CD2-CD2 4.11Å; L263-Y267 HydrophobicContact CD2-CE2 3.76Å; L263-Y267 WeakPolarHBondContact O-CB 3.44Å; L263-Y267 VanDerWaalsContact O-CD2 3.24Å; L263-Y267 WeakPolarHBondContact O-CD2 3.44Å; L263-Y267 PolarHBondContact O-N 3.01Å; W264-Y267 PolarHBondContact O-N 3.34Å; Y267-V269 PolarHBondContact O-N 2.88Å; Y267-V269 VanDerWaalsContact O-N 3.09Å; Y267-N270 WeakPolarHBondContact O-CB 3.42Å; Y267-N270 PolarHBondContact O-N 3.21Å; Y267-T271 PolarHBondContact O-N 2.88Å
268	W	86	Confident	84.4	Confident	94 Å²	94	80.7 Å²	80.7	36%	0.356	42%	0.418	S	S	.	.	H	α-helix	trans	-54.6	-32.7	179.7	71.7	-88.7	0	0	0	113	W264 N270 T271 L272	W264-W268 HydrophobicContact CD2-CB 4.2Å; W264-W268 HydrophobicContact CZ2-CB 4.22Å; W264-W268 VanDerWaalsContact O-CB 3.27Å; W264-W268 WeakPolarHBondContact O-CB 3.44Å; W264-W268 VanDerWaalsContact O-CD1 3.31Å; W264-W268 PolarHBondContact O-N 3.14Å; W268-N270 VanDerWaalsContact C-N 3.27Å; W268-N270 PolarHBondContact O-N 3.26Å; W268-T271 WeakPolarHBondContact O-CB 3.26Å; W268-T271 PolarHBondContact O-N 3.32Å; W268-T271 VanDerWaalsContact O-N 3.13Å; W268-L272 HydrophobicContact CE3-CD2 4.46Å; W268-L272 HydrophobicContact CZ3-CD2 3.7Å; W268-L272 PolarHBondContact O-N 2.94Å
269	V	86.8	Confident	83.7	Confident	69 Å²	69	75.1 Å²	75.1	42%	0.418	41%	0.408	S	S	.	.	H	α-helix	trans	-62.7	-34.8	177	-177	0	0	0	0	111.3	Y267 T271 L272 S273	Y267-V269 PolarHBondContact O-N 2.88Å; Y267-V269 VanDerWaalsContact O-N 3.09Å; V269-T271 VanDerWaalsContact C-N 3.33Å; V269-L272 PolarHBondContact O-N 3.45Å; V269-S273 WeakPolarHBondContact O-CB 3.48Å; V269-S273 PolarHBondContact O-N 3.06Å; V269-S273 PolarHBondContact O-OG 3.03Å; V269-S273 VanDerWaalsContact O-OG 3.05Å
270	N	84	Confident	83.2	Confident	96 Å²	96	71.7 Å²	71.7	51%	0.513	39%	0.39	S	S	.	.	H	α-helix	trans	-67.6	-36.4	176	-66.3	-10.4	0	0	0	111.3	Y267 W268 L272 S273 S274	Y267-N270 WeakPolarHBondContact O-CB 3.42Å; Y267-N270 PolarHBondContact O-N 3.21Å; W268-N270 VanDerWaalsContact C-N 3.27Å; W268-N270 PolarHBondContact O-N 3.26Å; N270-L272 VanDerWaalsContact C-N 3.34Å; N270-S273 WeakPolarHBondContact CA-OG 3.36Å; N270-S273 PolarHBondContact O-OG 2.96Å; N270-S274 WeakPolarHBondContact O-CB 3.49Å; N270-S274 PolarHBondContact O-N 3.37Å
271	T	80.7	Confident	82.9	Confident	79 Å²	79	73.3 Å²	73.3	49%	0.485	40%	0.403	S	S	.	.	H	α-helix	trans	-63	-44.9	172.7	-51.6	0	0	0	0	110.1	Y267 W268 V269 S274	Y267-T271 PolarHBondContact O-N 2.88Å; W268-T271 WeakPolarHBondContact O-CB 3.26Å; W268-T271 PolarHBondContact O-N 3.32Å; W268-T271 VanDerWaalsContact O-N 3.13Å; V269-T271 VanDerWaalsContact C-N 3.33Å; T271-S274 PolarHBondContact O-N 3.49Å; T271-S274 PolarHBondContact O-OG 3.32Å
272	L	80.8	Confident	82.8	Confident	62 Å²	62	78 Å²	78	33%	0.325	43%	0.428	S	S	.	.	H	α-helix	trans	-66.5	-40.9	178.6	-178.1	62.5	0	0	0	112.6	W268 V269 N270 S274 K340 F344	W268-L272 HydrophobicContact CE3-CD2 4.46Å; W268-L272 HydrophobicContact CZ3-CD2 3.7Å; W268-L272 PolarHBondContact O-N 2.94Å; V269-L272 PolarHBondContact O-N 3.45Å; N270-L272 VanDerWaalsContact C-N 3.34Å; L272-S274 VanDerWaalsContact C-N 3.33Å; L272-K340 VanDerWaalsContact O-CD 3.3Å; L272-K340 WeakPolarHBondContact O-CD 3.19Å; L272-K340 WeakPolarHBondContact O-CE 3.45Å; L272-K340 PolarHBondContact O-NZ 2.76Å; L272-F344 HydrophobicContact CD1-CE2 4.03Å; L272-F344 HydrophobicContact CD1-CZ 4.25Å; L272-F344 HydrophobicContact CD2-CE1 4.34Å; L272-F344 HydrophobicContact CD2-CE2 3.97Å; L272-F344 HydrophobicContact CD2-CZ 3.58Å; L272-F344 HydrophobicContact CG-CE2 4.14Å; L272-F344 HydrophobicContact CG-CZ 4.24Å
273	S	82.4	Confident	82.6	Confident	77 Å²	77	75.8 Å²	75.8	54%	0.538	41%	0.408	S	S	.	.	H	α-helix	trans	-81.2	-10.6	-179.5	67.5	0	0	0	0	113.9	V269 N270	V269-S273 WeakPolarHBondContact O-CB 3.48Å; V269-S273 PolarHBondContact O-N 3.06Å; V269-S273 PolarHBondContact O-OG 3.03Å; V269-S273 VanDerWaalsContact O-OG 3.05Å; N270-S273 WeakPolarHBondContact CA-OG 3.36Å; N270-S273 PolarHBondContact O-OG 2.96Å
274	S	81.6	Confident	82.5	Confident	52 Å²	52	73.5 Å²	73.5	36%	0.364	40%	0.396	S	S	.	.			trans	-60.7	143.5	177.3	69.6	0	0	0	0	112.4	N270 T271 L272 K340	N270-S274 WeakPolarHBondContact O-CB 3.49Å; N270-S274 PolarHBondContact O-N 3.37Å; T271-S274 PolarHBondContact O-N 3.49Å; T271-S274 PolarHBondContact O-OG 3.32Å; L272-S274 VanDerWaalsContact C-N 3.33Å; S274-K340 PolarHBondContact O-NZ 3.26Å
275	V	79.8	Confident	82.6	Confident	40 Å²	40	74 Å²	74	24%	0.242	41%	0.411	C	S	.	.			trans	-118.2	95.2	178.3	-176.1	0	0	0	0	108.3	I277 L278 A279	V275-I277 VanDerWaalsContact C-N 3.27Å; V275-I277 HydrophobicContact CG1-CG2 3.66Å; V275-I277 PolarHBondContact O-N 3.01Å; V275-L278 HydrophobicContact CB-CB 4.27Å; V275-L278 HydrophobicContact CB-CD1 4.33Å; V275-L278 HydrophobicContact CB-CG 4.41Å; V275-L278 HydrophobicContact CG1-CB 3.98Å; V275-L278 HydrophobicContact CG1-CD1 3.86Å; V275-L278 HydrophobicContact CG1-CG 3.7Å; V275-L278 PolarHBondContact O-N 3.01Å; V275-L278 VanDerWaalsContact O-N 3.1Å; V275-A279 PolarHBondContact O-N 3.3Å
276	S	75.5	Confident	82.7	Confident	48 Å²	48	70.7 Å²	70.7	34%	0.336	40%	0.402	S	S	.	.	H	α-helix	trans	-58.9	-36.2	-174	-51.5	0	0	0	0	113.1	L278 A279	S276-L278 VanDerWaalsContact C-N 3.28Å; S276-L278 PolarHBondContact O-N 3.29Å; S276-A279 WeakPolarHBondContact O-CB 3.38Å; S276-A279 PolarHBondContact O-N 2.82Å; S276-A279 VanDerWaalsContact O-N 3.14Å
277	I	74.7	Confident	82.6	Confident	42 Å²	42	65.1 Å²	65.1	22%	0.215	38%	0.379	C	S	.	.	H	α-helix	trans	-65.3	-30.7	179.2	-167.5	162.2	0	0	0	113	V275 L284 A333 L334	V275-I277 VanDerWaalsContact C-N 3.27Å; V275-I277 HydrophobicContact CG1-CG2 3.66Å; V275-I277 PolarHBondContact O-N 3.01Å; I277-L284 HydrophobicContact CG1-CD1 4.47Å; I277-A333 HydrophobicContact CB-CB 4.08Å; I277-L334 HydrophobicContact CD1-CD2 3.61Å; I277-L334 HydrophobicContact CD1-CG 3.83Å
278	L	74.5	Confident	82.8	Confident	133 Å²	133	64.1 Å²	64.1	70%	0.696	38%	0.384	S	S	*	.	H	α-helix	trans	-91.8	-11.6	176.7	-62.6	-178.8	0	0	0	112.5	V275 S276 Q280	V275-L278 HydrophobicContact CB-CB 4.27Å; V275-L278 HydrophobicContact CB-CD1 4.33Å; V275-L278 HydrophobicContact CB-CG 4.41Å; V275-L278 HydrophobicContact CG1-CB 3.98Å; V275-L278 HydrophobicContact CG1-CD1 3.86Å; V275-L278 HydrophobicContact CG1-CG 3.7Å; V275-L278 PolarHBondContact O-N 3.01Å; V275-L278 VanDerWaalsContact O-N 3.1Å; S276-L278 VanDerWaalsContact C-N 3.28Å; S276-L278 PolarHBondContact O-N 3.29Å; L278-Q280 VanDerWaalsContact C-N 3.27Å; L278-Q280 PolarHBondContact O-N 2.97Å
279	A	74.8	Confident	83.1	Confident	54 Å²	54	66 Å²	66	45%	0.446	40%	0.395	S	S	.	.	H	α-helix	trans	-65.5	-34.9	-176.2	0	0	0	0	0	111.4	I198 V275 S276	I198-A279 HydrophobicContact CG2-CB 4.04Å; V275-A279 PolarHBondContact O-N 3.3Å; S276-A279 WeakPolarHBondContact O-CB 3.38Å; S276-A279 PolarHBondContact O-N 2.82Å; S276-A279 VanDerWaalsContact O-N 3.14Å
280	Q	77.7	Confident	83.4	Confident	28 Å²	28	63.6 Å²	63.6	13%	0.131	38%	0.38	C	S	.	.			trans	-146.3	66.2	-173.7	-59	-167.4	-48.2	0	0	113.7	I195 I198 S199 L278 D282 Y283 L284	I195-Q280 VanDerWaalsContact CG2-OE1 3.26Å; I195-Q280 PolarHBondContact O-OE1 3.22Å; I198-Q280 HydrophobicContact CG2-CG 4.04Å; S199-Q280 PolarHBondContact OG-OE1 3.19Å; L278-Q280 VanDerWaalsContact C-N 3.27Å; L278-Q280 PolarHBondContact O-N 2.97Å; Q280-D282 VanDerWaalsContact C-N 3.31Å; Q280-D282 PolarHBondContact O-N 3.42Å; Q280-Y283 PolarHBondContact O-N 2.92Å; Q280-L284 PolarHBondContact O-N 3.36Å
281	P	81.6	Confident	83.8	Confident	77 Å²	77	60.5 Å²	60.5	50%	0.5	36%	0.363	S	S	.	.	H	α-helix	trans	-60.9	-39.3	179.9	25.3	-34.3	0	0	0	112.6	Y283 L284 A285	P281-Y283 VanDerWaalsContact C-N 3.33Å; P281-Y283 PolarHBondContact O-N 3.16Å; P281-L284 PolarHBondContact O-N 3.38Å; P281-A285 WeakPolarHBondContact O-CB 3.47Å; P281-A285 PolarHBondContact O-N 3.32Å
282	D	86.6	Confident	84.4	Confident	137 Å²	137	59.4 Å²	59.4	73%	0.733	36%	0.362	S	S	*	.	H	α-helix	trans	-65.7	-36.9	-178.8	-62.7	-27.2	0	0	0	112.1	Q280 G286	Q280-D282 VanDerWaalsContact C-N 3.31Å; Q280-D282 PolarHBondContact O-N 3.42Å; D282-G286 PolarHBondContact O-N 2.84Å
283	Y	86.6	Confident	85	Confident	28 Å²	28	60.3 Å²	60.3	11%	0.11	36%	0.364	C	S	.	.	H	α-helix	trans	-63.9	-45.2	175.9	175.6	-119.4	0	0	0	111.3	I195 R196 S199 Q280 P281 G286 L287	I195-Y283 HydrophobicContact CG2-CD1 3.89Å; I195-Y283 HydrophobicContact CG2-CD2 3.44Å; I195-Y283 VanDerWaalsContact CG2-CD2 3.44Å; I195-Y283 HydrophobicContact CG2-CE1 4.36Å; I195-Y283 HydrophobicContact CG2-CE2 3.97Å; I195-Y283 HydrophobicContact CG2-CG 3.39Å; R196-Y283 VanDerWaalsContact CG-OH 3.31Å; R196-Y283 WeakPolarHBondContact CG-OH 3.49Å; R196-Y283 PolarHBondContact NE-OH 2.96Å; S199-Y283 WeakPolarHBondContact OG-CD1 3.46Å; Q280-Y283 PolarHBondContact O-N 2.92Å; P281-Y283 VanDerWaalsContact C-N 3.33Å; P281-Y283 PolarHBondContact O-N 3.16Å; Y283-G286 CarbonylContact O-C 3.47Å; Y283-G286 WeakPolarHBondContact O-CA 3.46Å; Y283-G286 PolarHBondContact O-N 2.82Å; Y283-L287 HydrophobicContact CD1-CD1 4.22Å; Y283-L287 HydrophobicContact CD2-CG 4.33Å; Y283-L287 HydrophobicContact CE1-CD1 3.57Å; Y283-L287 HydrophobicContact CE1-CG 4.17Å; Y283-L287 HydrophobicContact CE2-CD1 4.14Å; Y283-L287 HydrophobicContact CE2-CD2 3.94Å; Y283-L287 HydrophobicContact CE2-CG 3.87Å; Y283-L287 WeakPolarHBondContact O-CG 3.12Å; Y283-L287 PolarHBondContact O-N 2.76Å
284	L	85.1	Confident	85.5	Confident	22 Å²	22	57.2 Å²	57.2	12%	0.115	34%	0.341	C	S	.	.	H	α-helix	trans	-66.5	-40.5	179.2	-63.4	175.2	0	0	0	112.4	I277 Q280 P281 G286 L287 T288 L326	I277-L284 HydrophobicContact CG1-CD1 4.47Å; Q280-L284 PolarHBondContact O-N 3.36Å; P281-L284 PolarHBondContact O-N 3.38Å; L284-G286 VanDerWaalsContact C-N 3.3Å; L284-L287 PolarHBondContact O-N 2.84Å; L284-T288 WeakPolarHBondContact O-CB 3.09Å; L284-T288 PolarHBondContact O-N 2.9Å; L284-T288 PolarHBondContact O-OG1 3.35Å; L284-L326 HydrophobicContact CD2-CD1 4.22Å
285	A	89	Confident	86	Confident	61 Å²	61	58 Å²	58	50%	0.504	34%	0.344	S	S	.	.	H	α-helix	trans	-61.5	-42.4	171.8	0	0	0	0	0	110.9	P281 T288 K289	P281-A285 WeakPolarHBondContact O-CB 3.47Å; P281-A285 PolarHBondContact O-N 3.32Å; A285-T288 PolarHBondContact O-N 2.92Å; A285-K289 WeakPolarHBondContact O-CB 3.29Å; A285-K289 PolarHBondContact O-N 2.81Å
286	G	89.6	Confident	86.5	Confident	38 Å²	38	63 Å²	63	39%	0.392	36%	0.364	S	S	.	.	H	α-helix	trans	-59.2	-48	174.4	0	0	0	0	0	112.9	D282 Y283 L284 T288 K289 D290	D282-G286 PolarHBondContact O-N 2.84Å; Y283-G286 CarbonylContact O-C 3.47Å; Y283-G286 WeakPolarHBondContact O-CA 3.46Å; Y283-G286 PolarHBondContact O-N 2.82Å; L284-G286 VanDerWaalsContact C-N 3.3Å; G286-T288 VanDerWaalsContact C-N 3.34Å; G286-T288 PolarHBondContact O-N 2.96Å; G286-K289 PolarHBondContact O-N 2.84Å; G286-D290 VanDerWaalsContact O-CB 3.31Å; G286-D290 WeakPolarHBondContact O-CB 3.47Å; G286-D290 PolarHBondContact O-N 2.62Å
287	L	89.2	Confident	87.1	Confident	28 Å²	28	64.6 Å²	64.6	15%	0.147	37%	0.367	C	S	.	.	H	α-helix	trans	-62.3	-39.5	175.8	-72.4	-176.3	0	0	0	112.6	Y283 L284 K289 D290 L291 L326	Y283-L287 HydrophobicContact CD1-CD1 4.22Å; Y283-L287 HydrophobicContact CD2-CG 4.33Å; Y283-L287 HydrophobicContact CE1-CD1 3.57Å; Y283-L287 HydrophobicContact CE1-CG 4.17Å; Y283-L287 HydrophobicContact CE2-CD1 4.14Å; Y283-L287 HydrophobicContact CE2-CD2 3.94Å; Y283-L287 HydrophobicContact CE2-CG 3.87Å; Y283-L287 WeakPolarHBondContact O-CG 3.12Å; Y283-L287 PolarHBondContact O-N 2.76Å; L284-L287 PolarHBondContact O-N 2.84Å; L287-K289 VanDerWaalsContact C-N 3.35Å; L287-D290 PolarHBondContact O-N 3.45Å; L287-L291 WeakPolarHBondContact O-CB 3.31Å; L287-L291 PolarHBondContact O-N 3.37Å; L287-L326 HydrophobicContact CB-CD1 4.03Å; L287-L326 HydrophobicContact CB-CD2 4.41Å; L287-L326 HydrophobicContact CD1-CD1 3.84Å
288	T	90.7	Very high	87.7	Confident	81 Å²	81	62.7 Å²	62.7	50%	0.497	36%	0.357	S	S	.	.	H	α-helix	trans	-65.4	-42.2	177.8	-55.3	0	0	0	0	110.8	L284 A285 G286 A292	L284-T288 WeakPolarHBondContact O-CB 3.09Å; L284-T288 PolarHBondContact O-N 2.9Å; L284-T288 PolarHBondContact O-OG1 3.35Å; A285-T288 PolarHBondContact O-N 2.92Å; G286-T288 VanDerWaalsContact C-N 3.34Å; G286-T288 PolarHBondContact O-N 2.96Å; T288-A292 PolarHBondContact O-N 3.22Å; T288-A292 VanDerWaalsContact O-N 3.08Å
289	K	93.7	Very high	88.2	Confident	133 Å²	133	58.3 Å²	58.3	58%	0.578	34%	0.344	S	S	*	.	H	α-helix	trans	-64	-48	175	-178.6	-175.3	167.5	-168.6	0	111.4	A285 G286 L287 L291 A292 E293	A285-K289 WeakPolarHBondContact O-CB 3.29Å; A285-K289 PolarHBondContact O-N 2.81Å; G286-K289 PolarHBondContact O-N 2.84Å; L287-K289 VanDerWaalsContact C-N 3.35Å; K289-L291 VanDerWaalsContact C-N 3.33Å; K289-L291 PolarHBondContact O-N 2.93Å; K289-A292 WeakPolarHBondContact O-CB 3.49Å; K289-A292 PolarHBondContact O-N 2.93Å; K289-A292 VanDerWaalsContact O-N 3.11Å; K289-E293 WeakPolarHBondContact CE-OE1 3.28Å; K289-E293 IonicContact NZ-OE1 2.62Å; K289-E293 WeakPolarHBondContact O-CG 3.48Å; K289-E293 PolarHBondContact O-N 2.91Å
290	D	92.9	Very high	88.6	Confident	20 Å²	20	58.7 Å²	58.7	11%	0.107	34%	0.343	C	S	.	.	H	α-helix	trans	-58.3	-43.8	177.5	176.4	70.6	0	0	0	111.9	P229 M230 G286 L287 A292 E293 K294	P229-D290 WeakPolarHBondContact CA-OD1 3.39Å; M230-D290 WeakPolarHBondContact CB-OD1 2.89Å; M230-D290 PolarHBondContact N-OD1 3.49Å; G286-D290 VanDerWaalsContact O-CB 3.31Å; G286-D290 WeakPolarHBondContact O-CB 3.47Å; G286-D290 PolarHBondContact O-N 2.62Å; L287-D290 PolarHBondContact O-N 3.45Å; D290-A292 VanDerWaalsContact C-N 3.34Å; D290-A292 PolarHBondContact O-N 3.29Å; D290-E293 PolarHBondContact O-N 3.07Å; D290-K294 WeakPolarHBondContact O-CB 3.43Å; D290-K294 WeakPolarHBondContact O-CG 3.17Å; D290-K294 PolarHBondContact O-N 2.88Å; D290-K294 IonicContact OD1-NZ 3.07Å; D290-K294 WeakPolarHBondContact OD2-CE 3.37Å; D290-K294 IonicContact OD2-NZ 2.67Å; D290-K294 PolarHBondContact OD2-NZ 3.36Å
291	L	92.6	Very high	88.2	Confident	30 Å²	30	58.5 Å²	58.5	16%	0.157	35%	0.345	C	S	.	.	H	α-helix	trans	-60.8	-42.8	174.2	177.6	62.3	0	0	0	111.8	L287 K289 K294 V295 C319 D322 A323 L326	L287-L291 WeakPolarHBondContact O-CB 3.31Å; L287-L291 PolarHBondContact O-N 3.37Å; K289-L291 VanDerWaalsContact C-N 3.33Å; K289-L291 PolarHBondContact O-N 2.93Å; L291-K294 PolarHBondContact O-N 3.01Å; L291-V295 HydrophobicContact CD1-CG2 4.32Å; L291-V295 VanDerWaalsContact O-CG2 3.29Å; L291-V295 WeakPolarHBondContact O-CG2 3.45Å; L291-V295 PolarHBondContact O-N 2.87Å; L291-C319 HydrophobicContact CD1-CB 4.34Å; L291-C319 WeakPolarHBondContact CD1-O 3.46Å; L291-D322 HydrophobicContact CD1-CB 4.01Å; L291-A323 HydrophobicContact CD1-CB 4.21Å; L291-A323 HydrophobicContact CD2-CB 3.69Å; L291-L326 HydrophobicContact CD2-CD2 4.39Å
292	A	93.9	Very high	87.4	Confident	57 Å²	57	60.2 Å²	60.2	47%	0.471	35%	0.348	S	S	.	.	H	α-helix	trans	-62.1	-43.9	176.7	0	0	0	0	0	111.7	T288 K289 D290 V295 E296	T288-A292 PolarHBondContact O-N 3.22Å; T288-A292 VanDerWaalsContact O-N 3.08Å; K289-A292 WeakPolarHBondContact O-CB 3.49Å; K289-A292 PolarHBondContact O-N 2.93Å; K289-A292 VanDerWaalsContact O-N 3.11Å; D290-A292 VanDerWaalsContact C-N 3.34Å; D290-A292 PolarHBondContact O-N 3.29Å; A292-V295 PolarHBondContact O-N 3.08Å; A292-E296 WeakPolarHBondContact O-CB 3.03Å; A292-E296 PolarHBondContact O-N 2.92Å
293	E	93.2	Very high	86.3	Confident	80 Å²	80	59 Å²	59	37%	0.374	35%	0.35	S	S	.	.	H	α-helix	trans	-63.5	-41.5	176.3	-71	177.9	-179	0	0	112	K289 D290 V295 E296 H297	K289-E293 WeakPolarHBondContact CE-OE1 3.28Å; K289-E293 IonicContact NZ-OE1 2.62Å; K289-E293 WeakPolarHBondContact O-CG 3.48Å; K289-E293 PolarHBondContact O-N 2.91Å; D290-E293 PolarHBondContact O-N 3.07Å; E293-V295 PolarHBondContact O-N 3.22Å; E293-E296 PolarHBondContact O-N 3.34Å; E293-H297 VanDerWaalsContact O-CB 3.31Å; E293-H297 WeakPolarHBondContact O-CB 3.47Å; E293-H297 PolarHBondContact O-N 3.11Å
294	K	92	Very high	85.2	Confident	12 Å²	12	68.7 Å²	68.7	5%	0.052	39%	0.387	C	S	.	.	H	α-helix	trans	-61	-43.4	174.4	-77.2	169.2	175.4	167.7	0	112.2	I228 M230 D290 L291 H297 A298 D322	I228-K294 VanDerWaalsContact O-CE 3.26Å; I228-K294 WeakPolarHBondContact O-CE 3.22Å; I228-K294 PolarHBondContact O-NZ 2.83Å; M230-K294 HydrophobicContact SD-CG 3.69Å; D290-K294 WeakPolarHBondContact O-CB 3.43Å; D290-K294 WeakPolarHBondContact O-CG 3.17Å; D290-K294 PolarHBondContact O-N 2.88Å; D290-K294 IonicContact OD1-NZ 3.07Å; D290-K294 WeakPolarHBondContact OD2-CE 3.37Å; D290-K294 IonicContact OD2-NZ 2.67Å; D290-K294 PolarHBondContact OD2-NZ 3.36Å; L291-K294 PolarHBondContact O-N 3.01Å; K294-H297 PolarHBondContact O-N 2.71Å; K294-A298 WeakPolarHBondContact O-CB 3.45Å; K294-A298 PolarHBondContact O-N 3.43Å; K294-D322 WeakPolarHBondContact CD-OD2 3.25Å; K294-D322 IonicContact NZ-OD2 2.82Å; K294-D322 PolarHBondContact NZ-OD2 3.14Å
295	V	92.1	Very high	83.7	Confident	70 Å²	70	71 Å²	71	42%	0.424	40%	0.398	S	S	.	.	H	α-helix	trans	-66	-43.4	177.1	171.3	0	0	0	0	110.8	L291 A292 E293 A298 G299 C319	L291-V295 HydrophobicContact CD1-CG2 4.32Å; L291-V295 VanDerWaalsContact O-CG2 3.29Å; L291-V295 WeakPolarHBondContact O-CG2 3.45Å; L291-V295 PolarHBondContact O-N 2.87Å; A292-V295 PolarHBondContact O-N 3.08Å; E293-V295 PolarHBondContact O-N 3.22Å; V295-A298 PolarHBondContact O-N 3.24Å; V295-G299 PolarHBondContact O-N 2.94Å; V295-C319 HydrophobicContact CG2-CB 3.93Å
296	E	91.3	Very high	82.4	Confident	143 Å²	143	76 Å²	76	67%	0.668	42%	0.416	S	S	*	.	H	α-helix	trans	-63.9	-40.8	176.1	-174.7	175.8	-173	0	0	111.9	A292 E293 G299 S300	A292-E296 WeakPolarHBondContact O-CB 3.03Å; A292-E296 PolarHBondContact O-N 2.92Å; E293-E296 PolarHBondContact O-N 3.34Å; E296-G299 PolarHBondContact O-N 2.94Å; E296-S300 WeakPolarHBondContact O-CB 3.27Å; E296-S300 PolarHBondContact O-N 3.45Å; E296-S300 PolarHBondContact O-OG 3.44Å
297	H	87.8	Confident	81	Confident	83 Å²	83	85.8 Å²	85.8	38%	0.384	44%	0.441	S	S	.	.	H	α-helix	trans	-65.5	-39.1	175.5	-179.2	-96.9	0	0	0	112.3	M230 E293 K294 S300 S301	M230-H297 HydrophobicContact CE-CB 3.65Å; E293-H297 VanDerWaalsContact O-CB 3.31Å; E293-H297 WeakPolarHBondContact O-CB 3.47Å; E293-H297 PolarHBondContact O-N 3.11Å; K294-H297 PolarHBondContact O-N 2.71Å; H297-S300 WeakPolarHBondContact CA-OG 3.43Å; H297-S300 PolarHBondContact O-OG 2.75Å; H297-S301 PolarHBondContact O-N 2.67Å; H297-S301 PolarHBondContact O-OG 2.73Å
298	A	87.3	Confident	80.5	Confident	1 Å²	1	87.9 Å²	87.9	1%	0.008	45%	0.453	C	S	.	.	H	α-helix	trans	-63.5	-44.1	172.3	0	0	0	0	0	111.3	K294 V295 L312 R315 L316	K294-A298 WeakPolarHBondContact O-CB 3.45Å; K294-A298 PolarHBondContact O-N 3.43Å; V295-A298 PolarHBondContact O-N 3.24Å; A298-L312 WeakPolarHBondContact O-CD1 3.34Å; A298-R315 HydrophobicContact CB-CB 4.2Å; A298-L316 HydrophobicContact CB-CD2 4Å
299	G	84	Confident	80	Confident	41 Å²	41	88.5 Å²	88.5	42%	0.423	45%	0.453	S	S	.	.	H	α-helix	trans	-68.2	-42.8	179.2	0	0	0	0	0	114.1	V295 E296 S301 M302	V295-G299 PolarHBondContact O-N 2.94Å; E296-G299 PolarHBondContact O-N 2.94Å; G299-S301 VanDerWaalsContact C-N 3.27Å; G299-S301 PolarHBondContact O-N 2.96Å; G299-M302 WeakPolarHBondContact O-CB 3.46Å; G299-M302 PolarHBondContact O-N 3.49Å; G299-M302 VanDerWaalsContact O-N 3.09Å
300	S	82.9	Confident	79.5	Confident	62 Å²	62	87.9 Å²	87.9	43%	0.434	46%	0.456	S	S	.	.	H	α-helix	trans	-66.4	-29.2	178.6	55.6	0	0	0	0	113	E296 H297 M302 S303	E296-S300 WeakPolarHBondContact O-CB 3.27Å; E296-S300 PolarHBondContact O-N 3.45Å; E296-S300 PolarHBondContact O-OG 3.44Å; H297-S300 WeakPolarHBondContact CA-OG 3.43Å; H297-S300 PolarHBondContact O-OG 2.75Å; S300-M302 PolarHBondContact O-N 3.44Å; S300-S303 PolarHBondContact O-N 3.39Å
301	S	70.9	Confident	79	Confident	24 Å²	24	92.5 Å²	92.5	17%	0.168	47%	0.472	C	S	.	.	H	α-helix	trans	-63.8	-24.8	173.4	-62.3	0	0	0	0	112.8	H297 G299 S303 R304 M305 R315	H297-S301 PolarHBondContact O-N 2.67Å; H297-S301 PolarHBondContact O-OG 2.73Å; G299-S301 VanDerWaalsContact C-N 3.27Å; G299-S301 PolarHBondContact O-N 2.96Å; S301-S303 VanDerWaalsContact C-N 3.29Å; S301-S303 PolarHBondContact O-N 3.35Å; S301-R304 PolarHBondContact O-N 3.49Å; S301-M305 PolarHBondContact O-N 3.38Å; S301-R315 VanDerWaalsContact CB-NH1 3.27Å; S301-R315 PolarHBondContact OG-NH1 2.67Å
302	M	64.3	Low	78.6	Confident	113 Å²	113	92.2 Å²	92.2	56%	0.557	47%	0.47	S	S	*	.	H	α-helix	trans	-58.7	-37.9	173.7	-170.3	82	72.5	0	0	112.6	G299 S300 R304 L312	G299-M302 WeakPolarHBondContact O-CB 3.46Å; G299-M302 PolarHBondContact O-N 3.49Å; G299-M302 VanDerWaalsContact O-N 3.09Å; S300-M302 PolarHBondContact O-N 3.44Å; M302-R304 VanDerWaalsContact C-N 3.31Å; M302-R304 PolarHBondContact O-N 3.29Å; M302-L312 HydrophobicContact CE-CD1 4.11Å; M302-L312 HydrophobicContact CE-CD2 3.17Å; M302-L312 HydrophobicContact CE-CG 4.25Å; M302-L312 HydrophobicContact SD-CD2 3.63Å
303	S	64	Low	78.3	Confident	113 Å²	113	95.4 Å²	95.4	79%	0.79	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-15.1	-173.8	-173.6	0	0	0	0	113.3	S300 S301	S300-S303 PolarHBondContact O-N 3.39Å; S301-S303 VanDerWaalsContact C-N 3.29Å; S301-S303 PolarHBondContact O-N 3.35Å
304	R	61.9	Low	78	Confident	231 Å²	231	95.2 Å²	95.2	87%	0.872	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.4	-22.7	-170.3	-71.4	-175.6	175.3	176.2	0.3	114.2	S301 M302	S301-R304 PolarHBondContact O-N 3.49Å; M302-R304 VanDerWaalsContact C-N 3.31Å; M302-R304 PolarHBondContact O-N 3.29Å
305	M	55	Low	77.8	Confident	70 Å²	70	97.1 Å²	97.1	35%	0.345	48%	0.484	S	S	.	.	S	Bend	trans	-106.7	125.6	-177	-73	-178.5	55.6	0	0	110.4	S301 W307 D308	S301-M305 PolarHBondContact O-N 3.38Å; M305-W307 PolarHBondContact O-N 2.95Å; M305-D308 HydrophobicContact CE-CB 3.93Å
306	N	60.3	Low	77.7	Confident	165 Å²	165	97.6 Å²	97.6	88%	0.882	48%	0.483	S	S	*	.	S	Bend	trans	-45.4	112.6	158.7	-90.1	-12.9	0	0	0	108.2	D308	N306-D308 VanDerWaalsContact C-N 3.26Å; N306-D308 PolarHBondContact O-N 3.43Å
307	W	61.8	Low	77.7	Confident	245 Å²	245	92.9 Å²	92.9	93%	0.928	47%	0.469	S	S	*	.			trans	2.3	64.3	167.9	-79	42.8	0	0	0	116.5	M305 N309	M305-W307 PolarHBondContact O-N 2.95Å; W307-N309 PolarHBondContact O-N 3.49Å
308	D	77	Confident	77.8	Confident	72 Å²	72	92.4 Å²	92.4	39%	0.385	47%	0.466	S	S	.	.			trans	-90.3	75.5	162.9	-173.2	-4.2	0	0	0	106.5	M305 N306 D310 R311 L312	M305-D308 HydrophobicContact CE-CB 3.93Å; N306-D308 VanDerWaalsContact C-N 3.26Å; N306-D308 PolarHBondContact O-N 3.43Å; D308-D310 PolarHBondContact O-N 3.14Å; D308-R311 HydrophobicContact CB-CB 4.31Å; D308-R311 PolarHBondContact O-N 3.41Å; D308-R311 PolarHBondContact OD1-N 2.85Å; D308-R311 WeakPolarHBondContact OD2-CB 3.33Å; D308-L312 PolarHBondContact O-N 2.84Å
309	N	80.7	Confident	78	Confident	93 Å²	93	92.9 Å²	92.9	50%	0.497	47%	0.469	S	S	.	.	H	α-helix	trans	-62.2	-33.9	-173.6	-156.8	36.9	0	0	0	110.8	W307 L312 E313	W307-N309 PolarHBondContact O-N 3.49Å; N309-L312 PolarHBondContact O-N 2.75Å; N309-E313 WeakPolarHBondContact O-CB 3.17Å; N309-E313 PolarHBondContact O-N 3.15Å
310	D	84.4	Confident	78.4	Confident	121 Å²	121	94.3 Å²	94.3	65%	0.647	47%	0.473	S	S	*	.	H	α-helix	trans	-64.3	-44.6	179.7	-62.2	-11.1	0	0	0	111.2	D308 L312 E313 D314	D308-D310 PolarHBondContact O-N 3.14Å; D310-L312 VanDerWaalsContact C-N 3.35Å; D310-L312 PolarHBondContact O-N 3.18Å; D310-E313 PolarHBondContact O-N 2.97Å; D310-D314 PolarHBondContact O-N 2.87Å
311	R	82.2	Confident	78.9	Confident	117 Å²	117	97.2 Å²	97.2	44%	0.442	48%	0.477	S	S	.	.	H	α-helix	trans	-67.4	-36.5	177.7	-171.6	-179	-174.6	-172.6	2.6	112.4	D308 R315	D308-R311 HydrophobicContact CB-CB 4.31Å; D308-R311 PolarHBondContact O-N 3.41Å; D308-R311 PolarHBondContact OD1-N 2.85Å; D308-R311 WeakPolarHBondContact OD2-CB 3.33Å; R311-R315 WeakPolarHBondContact O-CG 3.34Å; R311-R315 PolarHBondContact O-N 3.32Å; R311-R315 VanDerWaalsContact O-N 3.14Å
312	L	84	Confident	79.8	Confident	23 Å²	23	96.7 Å²	96.7	12%	0.12	47%	0.472	C	S	.	.	H	α-helix	trans	-66.4	-46.4	174.9	176.7	73.7	0	0	0	110.8	A298 M302 D308 N309 D310 D314 R315 L316	A298-L312 WeakPolarHBondContact O-CD1 3.34Å; M302-L312 HydrophobicContact CE-CD1 4.11Å; M302-L312 HydrophobicContact CE-CD2 3.17Å; M302-L312 HydrophobicContact CE-CG 4.25Å; M302-L312 HydrophobicContact SD-CD2 3.63Å; D308-L312 PolarHBondContact O-N 2.84Å; N309-L312 PolarHBondContact O-N 2.75Å; D310-L312 VanDerWaalsContact C-N 3.35Å; D310-L312 PolarHBondContact O-N 3.18Å; L312-D314 VanDerWaalsContact C-N 3.32Å; L312-D314 PolarHBondContact O-N 3.48Å; L312-R315 PolarHBondContact O-N 2.8Å; L312-R315 VanDerWaalsContact O-N 3.15Å; L312-L316 HydrophobicContact CD1-CD1 4.22Å; L312-L316 HydrophobicContact CD1-CG 4.29Å; L312-L316 HydrophobicContact CD2-CD1 4.4Å; L312-L316 HydrophobicContact CG-CD1 3.98Å; L312-L316 HydrophobicContact CG-CG 4.38Å; L312-L316 WeakPolarHBondContact O-CG 3.49Å; L312-L316 PolarHBondContact O-N 3.33Å
313	E	87.2	Confident	81.2	Confident	125 Å²	125	93 Å²	93	58%	0.584	46%	0.461	S	S	*	.	H	α-helix	trans	-58.8	-44.2	178.3	-172.5	173.2	-178.3	0	0	110.9	N309 D310 R315 L316 A317	N309-E313 WeakPolarHBondContact O-CB 3.17Å; N309-E313 PolarHBondContact O-N 3.15Å; D310-E313 PolarHBondContact O-N 2.97Å; E313-R315 PolarHBondContact O-N 3.22Å; E313-L316 PolarHBondContact O-N 3.32Å; E313-A317 VanDerWaalsContact O-CB 3.24Å; E313-A317 WeakPolarHBondContact O-CB 3.19Å; E313-A317 PolarHBondContact O-N 3.49Å
314	D	87.5	Confident	82.5	Confident	75 Å²	75	91.1 Å²	91.1	40%	0.401	44%	0.444	S	S	.	.	H	α-helix	trans	-59.6	-43.5	174.1	174.6	60.1	0	0	0	112.4	D310 L312 A317 K318	D310-D314 PolarHBondContact O-N 2.87Å; L312-D314 VanDerWaalsContact C-N 3.32Å; L312-D314 PolarHBondContact O-N 3.48Å; D314-A317 PolarHBondContact O-N 2.87Å; D314-K318 VanDerWaalsContact O-CG 3.3Å; D314-K318 WeakPolarHBondContact O-CG 3.38Å; D314-K318 PolarHBondContact O-N 3.28Å; D314-K318 WeakPolarHBondContact OD1-CE 3.43Å; D314-K318 IonicContact OD1-NZ 2.97Å; D314-K318 PolarHBondContact OD1-NZ 3.28Å; D314-K318 WeakPolarHBondContact OD2-CE 3.31Å; D314-K318 IonicContact OD2-NZ 3.59Å; D314-K318 PolarHBondContact OD2-NZ 2.85Å
315	R	87.6	Confident	83.8	Confident	53 Å²	53	83.9 Å²	83.9	20%	0.2	42%	0.419	C	S	.	.	H	α-helix	trans	-65.9	-42.9	177.7	-75.8	174.6	169.7	-171	-5	112.6	A298 S301 R311 L312 E313 K318 C319	A298-R315 HydrophobicContact CB-CB 4.2Å; S301-R315 VanDerWaalsContact CB-NH1 3.27Å; S301-R315 PolarHBondContact OG-NH1 2.67Å; R311-R315 WeakPolarHBondContact O-CG 3.34Å; R311-R315 PolarHBondContact O-N 3.32Å; R311-R315 VanDerWaalsContact O-N 3.14Å; L312-R315 PolarHBondContact O-N 2.8Å; L312-R315 VanDerWaalsContact O-N 3.15Å; E313-R315 PolarHBondContact O-N 3.22Å; R315-K318 WeakPolarHBondContact O-CB 3.16Å; R315-K318 PolarHBondContact O-N 3.11Å; R315-C319 PolarHBondContact O-N 3.3Å; R315-C319 PolarHBondContact O-SG 3.33Å
316	L	89.3	Confident	85.3	Confident	79 Å²	79	81.6 Å²	81.6	41%	0.414	41%	0.408	S	S	.	.	H	α-helix	trans	-68.4	-36.7	177	-69.5	176.6	0	0	0	111.5	A298 L312 E313 K318 C319 S320	A298-L316 HydrophobicContact CB-CD2 4Å; L312-L316 HydrophobicContact CD1-CD1 4.22Å; L312-L316 HydrophobicContact CD1-CG 4.29Å; L312-L316 HydrophobicContact CD2-CD1 4.4Å; L312-L316 HydrophobicContact CG-CD1 3.98Å; L312-L316 HydrophobicContact CG-CG 4.38Å; L312-L316 WeakPolarHBondContact O-CG 3.49Å; L312-L316 PolarHBondContact O-N 3.33Å; E313-L316 PolarHBondContact O-N 3.32Å; L316-K318 VanDerWaalsContact C-N 3.32Å; L316-K318 PolarHBondContact O-N 3.33Å; L316-C319 PolarHBondContact O-N 2.93Å; L316-S320 WeakPolarHBondContact O-CB 3.32Å; L316-S320 PolarHBondContact O-N 3.15Å
317	A	90.7	Very high	86.7	Confident	44 Å²	44	76 Å²	76	36%	0.364	39%	0.385	S	S	.	.	H	α-helix	trans	-61.8	-39.9	173.4	0	0	0	0	0	111.6	E313 D314 S320 K321	E313-A317 VanDerWaalsContact O-CB 3.24Å; E313-A317 WeakPolarHBondContact O-CB 3.19Å; E313-A317 PolarHBondContact O-N 3.49Å; D314-A317 PolarHBondContact O-N 2.87Å; A317-S320 PolarHBondContact O-N 3.46Å; A317-K321 WeakPolarHBondContact O-CG 3.49Å; A317-K321 PolarHBondContact O-N 3.27Å
318	K	90.8	Very high	87.9	Confident	73 Å²	73	69 Å²	69	32%	0.317	36%	0.364	S	S	.	.	H	α-helix	trans	-62.9	-46	172.6	-73.4	168.6	179.2	164.4	0	112.2	Y225 D314 R315 L316 S320 K321 D322	Y225-K318 HydrophobicContact CD2-CB 4.49Å; Y225-K318 HydrophobicContact CD2-CD 4.22Å; Y225-K318 HydrophobicContact CD2-CG 3.84Å; Y225-K318 HydrophobicContact CE1-CB 4.34Å; Y225-K318 HydrophobicContact CE2-CB 3.76Å; Y225-K318 HydrophobicContact CE2-CD 3.84Å; Y225-K318 HydrophobicContact CE2-CG 3.52Å; D314-K318 VanDerWaalsContact O-CG 3.3Å; D314-K318 WeakPolarHBondContact O-CG 3.38Å; D314-K318 PolarHBondContact O-N 3.28Å; D314-K318 WeakPolarHBondContact OD1-CE 3.43Å; D314-K318 IonicContact OD1-NZ 2.97Å; D314-K318 PolarHBondContact OD1-NZ 3.28Å; D314-K318 WeakPolarHBondContact OD2-CE 3.31Å; D314-K318 IonicContact OD2-NZ 3.59Å; D314-K318 PolarHBondContact OD2-NZ 2.85Å; R315-K318 WeakPolarHBondContact O-CB 3.16Å; R315-K318 PolarHBondContact O-N 3.11Å; L316-K318 VanDerWaalsContact C-N 3.32Å; L316-K318 PolarHBondContact O-N 3.33Å; K318-S320 VanDerWaalsContact C-N 3.29Å; K318-S320 PolarHBondContact O-N 3.28Å; K318-K321 WeakPolarHBondContact O-CB 3.41Å; K318-K321 PolarHBondContact O-N 3.04Å; K318-D322 PolarHBondContact O-N 3.15Å
319	C	91.5	Very high	88.2	Confident	12 Å²	12	68.3 Å²	68.3	8%	0.081	36%	0.358	C	S	.	.	H	α-helix	trans	-60.1	-40.2	174.2	-61.5	0	0	0	0	111.8	L291 V295 R315 L316 D322 A323	L291-C319 HydrophobicContact CD1-CB 4.34Å; L291-C319 WeakPolarHBondContact CD1-O 3.46Å; V295-C319 HydrophobicContact CG2-CB 3.93Å; R315-C319 PolarHBondContact O-N 3.3Å; R315-C319 PolarHBondContact O-SG 3.33Å; L316-C319 PolarHBondContact O-N 2.93Å; C319-D322 PolarHBondContact O-N 3.25Å; C319-A323 WeakPolarHBondContact O-CB 3.46Å; C319-A323 PolarHBondContact O-N 2.87Å
320	S	92.9	Very high	88.4	Confident	71 Å²	71	66.2 Å²	66.2	50%	0.497	35%	0.345	S	S	.	.	H	α-helix	trans	-64.3	-38.8	176.7	-178.6	0	0	0	0	112.2	L316 A317 K318 A323 T324	L316-S320 WeakPolarHBondContact O-CB 3.32Å; L316-S320 PolarHBondContact O-N 3.15Å; A317-S320 PolarHBondContact O-N 3.46Å; K318-S320 VanDerWaalsContact C-N 3.29Å; K318-S320 PolarHBondContact O-N 3.28Å; S320-A323 PolarHBondContact O-N 3.26Å; S320-T324 WeakPolarHBondContact O-CB 2.99Å; S320-T324 PolarHBondContact O-N 2.87Å; S320-T324 PolarHBondContact O-OG1 3.04Å
321	K	92	Very high	88.6	Confident	123 Å²	123	65.4 Å²	65.4	54%	0.535	34%	0.34	S	S	.	.	H	α-helix	trans	-62.2	-46.9	172.9	-72.9	176.2	-177.7	-179.1	0	111.6	Y225 A317 K318 T324 K325	Y225-K321 HydrophobicContact CD1-CB 3.98Å; Y225-K321 HydrophobicContact CD1-CD 3.81Å; Y225-K321 HydrophobicContact CE1-CB 3.96Å; Y225-K321 HydrophobicContact CE1-CD 4.45Å; Y225-K321 HydrophobicContact CG-CD 4.29Å; A317-K321 WeakPolarHBondContact O-CG 3.49Å; A317-K321 PolarHBondContact O-N 3.27Å; K318-K321 WeakPolarHBondContact O-CB 3.41Å; K318-K321 PolarHBondContact O-N 3.04Å; K321-T324 PolarHBondContact O-N 3.25Å; K321-K325 WeakPolarHBondContact O-CB 3.34Å; K321-K325 PolarHBondContact O-N 3.14Å
322	D	91.2	Very high	88.7	Confident	12 Å²	12	66.3 Å²	66.3	6%	0.064	35%	0.349	C	S	.	.	H	α-helix	trans	-61.4	-45.7	176.7	-81.3	-6.7	0	0	0	111.7	Y225 S227 L291 K294 K318 C319 T324 K325 L326	Y225-D322 VanDerWaalsContact CE1-OD1 3.25Å; Y225-D322 WeakPolarHBondContact CE1-OD1 3.38Å; Y225-D322 PolarHBondContact OH-OD1 3.49Å; Y225-D322 PolarHBondContact OH-OD2 3.06Å; Y225-D322 VanDerWaalsContact OH-OD2 3.04Å; S227-D322 WeakPolarHBondContact CB-OD1 3.36Å; S227-D322 PolarHBondContact OG-OD1 3.27Å; L291-D322 HydrophobicContact CD1-CB 4.01Å; K294-D322 WeakPolarHBondContact CD-OD2 3.25Å; K294-D322 IonicContact NZ-OD2 2.82Å; K294-D322 PolarHBondContact NZ-OD2 3.14Å; K318-D322 PolarHBondContact O-N 3.15Å; C319-D322 PolarHBondContact O-N 3.25Å; D322-T324 PolarHBondContact O-N 3.36Å; D322-K325 PolarHBondContact O-N 3.05Å; D322-L326 WeakPolarHBondContact O-CB 3.27Å; D322-L326 PolarHBondContact O-N 2.76Å
323	A	92.9	Very high	88.7	Confident	37 Å²	37	66.1 Å²	66.1	31%	0.306	35%	0.351	S	S	.	.	H	α-helix	trans	-60.7	-44.1	176.7	0	0	0	0	0	112.4	L291 C319 S320 A327	L291-A323 HydrophobicContact CD1-CB 4.21Å; L291-A323 HydrophobicContact CD2-CB 3.69Å; C319-A323 WeakPolarHBondContact O-CB 3.46Å; C319-A323 PolarHBondContact O-N 2.87Å; S320-A323 PolarHBondContact O-N 3.26Å; A323-A327 VanDerWaalsContact O-CB 3.31Å; A323-A327 WeakPolarHBondContact O-CB 3.02Å; A323-A327 PolarHBondContact O-N 3.25Å
324	T	92.4	Very high	88.7	Confident	73 Å²	73	64 Å²	64	45%	0.448	34%	0.343	S	S	.	.	H	α-helix	trans	-64.7	-45.3	178.7	-57.4	0	0	0	0	110.7	S320 K321 D322 A327 M328	S320-T324 WeakPolarHBondContact O-CB 2.99Å; S320-T324 PolarHBondContact O-N 2.87Å; S320-T324 PolarHBondContact O-OG1 3.04Å; K321-T324 PolarHBondContact O-N 3.25Å; D322-T324 PolarHBondContact O-N 3.36Å; T324-A327 PolarHBondContact O-N 2.93Å; T324-M328 HydrophobicContact CG2-CG 4.4Å; T324-M328 HydrophobicContact CG2-SD 4.1Å; T324-M328 WeakPolarHBondContact O-CB 3.14Å; T324-M328 VanDerWaalsContact O-CG 3.29Å; T324-M328 WeakPolarHBondContact O-CG 3.49Å; T324-M328 PolarHBondContact O-N 2.79Å
325	K	88.1	Confident	88.8	Confident	78 Å²	78	63.7 Å²	63.7	34%	0.339	34%	0.344	S	S	.	.	H	α-helix	trans	-59.7	-49.9	177.3	-176.8	-176.7	175.8	-175.1	0	111.4	K321 D322 A327 M328 E329	K321-K325 WeakPolarHBondContact O-CB 3.34Å; K321-K325 PolarHBondContact O-N 3.14Å; D322-K325 PolarHBondContact O-N 3.05Å; K325-A327 VanDerWaalsContact C-N 3.35Å; K325-A327 PolarHBondContact O-N 3.43Å; K325-M328 PolarHBondContact O-N 3.12Å; K325-E329 VanDerWaalsContact CE-OE1 3.23Å; K325-E329 WeakPolarHBondContact CE-OE1 2.86Å; K325-E329 WeakPolarHBondContact O-CG 3.42Å; K325-E329 PolarHBondContact O-N 3.33Å
326	L	87.2	Confident	88.7	Confident	23 Å²	23	62.5 Å²	62.5	12%	0.12	35%	0.348	C	S	.	.	H	α-helix	trans	-58.1	-46.8	177.1	177	61.8	0	0	0	111.4	L284 L287 L291 D322 M328 E329 Q330	L284-L326 HydrophobicContact CD2-CD1 4.22Å; L287-L326 HydrophobicContact CB-CD1 4.03Å; L287-L326 HydrophobicContact CB-CD2 4.41Å; L287-L326 HydrophobicContact CD1-CD1 3.84Å; L291-L326 HydrophobicContact CD2-CD2 4.39Å; D322-L326 WeakPolarHBondContact O-CB 3.27Å; D322-L326 PolarHBondContact O-N 2.76Å; L326-M328 PolarHBondContact O-N 3.29Å; L326-E329 PolarHBondContact O-N 3.31Å; L326-Q330 HydrophobicContact CD1-CG 4.47Å; L326-Q330 WeakPolarHBondContact O-CG 3.49Å; L326-Q330 PolarHBondContact O-N 2.85Å
327	A	89.9	Confident	88.6	Confident	47 Å²	47	61.9 Å²	61.9	39%	0.388	34%	0.343	S	S	.	.	H	α-helix	trans	-62.1	-42.5	178	0	0	0	0	0	112.2	A323 T324 K325 Q330 L331	A323-A327 VanDerWaalsContact O-CB 3.31Å; A323-A327 WeakPolarHBondContact O-CB 3.02Å; A323-A327 PolarHBondContact O-N 3.25Å; T324-A327 PolarHBondContact O-N 2.93Å; K325-A327 VanDerWaalsContact C-N 3.35Å; K325-A327 PolarHBondContact O-N 3.43Å; A327-Q330 PolarHBondContact O-N 3.29Å; A327-L331 WeakPolarHBondContact O-CB 3.45Å; A327-L331 VanDerWaalsContact O-CG 3.22Å; A327-L331 WeakPolarHBondContact O-CG 3.37Å; A327-L331 PolarHBondContact O-N 2.98Å
328	M	87.4	Confident	88.5	Confident	99 Å²	99	65.5 Å²	65.5	49%	0.488	36%	0.356	S	S	.	.	H	α-helix	trans	-63.2	-43.9	177.1	-74.8	-179.1	72.6	0	0	112.1	T324 K325 L326 Q330 L331 H332	T324-M328 HydrophobicContact CG2-CG 4.4Å; T324-M328 HydrophobicContact CG2-SD 4.1Å; T324-M328 WeakPolarHBondContact O-CB 3.14Å; T324-M328 VanDerWaalsContact O-CG 3.29Å; T324-M328 WeakPolarHBondContact O-CG 3.49Å; T324-M328 PolarHBondContact O-N 2.79Å; K325-M328 PolarHBondContact O-N 3.12Å; L326-M328 PolarHBondContact O-N 3.29Å; M328-Q330 PolarHBondContact O-N 3Å; M328-L331 PolarHBondContact O-N 3.08Å; M328-H332 WeakPolarHBondContact O-CB 3.39Å; M328-H332 PolarHBondContact O-N 3.35Å
329	E	82.7	Confident	88.5	Confident	57 Å²	57	66.4 Å²	66.4	27%	0.266	36%	0.363	S	S	.	.	H	α-helix	trans	-61.1	-44.1	176.7	-73	177.3	-172.8	0	0	111.4	K325 L326 A333	K325-E329 VanDerWaalsContact CE-OE1 3.23Å; K325-E329 WeakPolarHBondContact CE-OE1 2.86Å; K325-E329 WeakPolarHBondContact O-CG 3.42Å; K325-E329 PolarHBondContact O-N 3.33Å; L326-E329 PolarHBondContact O-N 3.31Å; E329-A333 WeakPolarHBondContact O-CB 3.31Å; E329-A333 PolarHBondContact O-N 2.9Å
330	Q	85	Confident	88.3	Confident	49 Å²	49	68 Å²	68	23%	0.229	37%	0.369	C	S	.	.	H	α-helix	trans	-64.3	-44.8	175.5	-69.5	-53.3	-71.7	0	0	112.7	L326 A327 M328 A333 L334	L326-Q330 HydrophobicContact CD1-CG 4.47Å; L326-Q330 WeakPolarHBondContact O-CG 3.49Å; L326-Q330 PolarHBondContact O-N 2.85Å; A327-Q330 PolarHBondContact O-N 3.29Å; M328-Q330 PolarHBondContact O-N 3Å; Q330-A333 PolarHBondContact O-N 3.33Å; Q330-L334 WeakPolarHBondContact O-CB 3.46Å; Q330-L334 WeakPolarHBondContact O-CG 3.21Å; Q330-L334 PolarHBondContact O-N 2.9Å
331	L	88.2	Confident	88.1	Confident	103 Å²	103	68.2 Å²	68.2	54%	0.539	36%	0.364	S	S	.	.	H	α-helix	trans	-64.3	-41.7	178.9	-75.2	171.3	0	0	0	111.6	A327 M328 T335	A327-L331 WeakPolarHBondContact O-CB 3.45Å; A327-L331 VanDerWaalsContact O-CG 3.22Å; A327-L331 WeakPolarHBondContact O-CG 3.37Å; A327-L331 PolarHBondContact O-N 2.98Å; M328-L331 PolarHBondContact O-N 3.08Å; L331-T335 WeakPolarHBondContact O-CB 3.47Å; L331-T335 PolarHBondContact O-N 3.32Å; L331-T335 PolarHBondContact O-OG1 3.37Å
332	H	84.8	Confident	88	Confident	136 Å²	136	64.7 Å²	64.7	63%	0.63	36%	0.355	S	S	*	.	H	α-helix	trans	-61.2	-45.3	174.3	-76.5	172.7	0	0	0	111.5	M328 T335 G336	M328-H332 WeakPolarHBondContact O-CB 3.39Å; M328-H332 PolarHBondContact O-N 3.35Å; H332-T335 PolarHBondContact O-N 2.93Å; H332-G336 PolarHBondContact O-N 3.23Å
333	A	83.4	Confident	88	Confident	19 Å²	19	69.2 Å²	69.2	16%	0.157	38%	0.379	C	S	.	.	H	α-helix	trans	-63.5	-46.2	178.6	0	0	0	0	0	112.3	I277 E329 Q330 G336 Q337	I277-A333 HydrophobicContact CB-CB 4.08Å; E329-A333 WeakPolarHBondContact O-CB 3.31Å; E329-A333 PolarHBondContact O-N 2.9Å; Q330-A333 PolarHBondContact O-N 3.33Å; A333-G336 PolarHBondContact O-N 3.1Å; A333-Q337 PolarHBondContact O-N 3.38Å
334	L	87.1	Confident	87.7	Confident	80 Å²	80	73 Å²	73	42%	0.419	39%	0.388	S	S	.	.	H	α-helix	trans	-62.8	-46.3	176.7	-75.2	170.2	0	0	0	111.8	I277 Q330 G336 Q337 L338	I277-L334 HydrophobicContact CD1-CD2 3.61Å; I277-L334 HydrophobicContact CD1-CG 3.83Å; Q330-L334 WeakPolarHBondContact O-CB 3.46Å; Q330-L334 WeakPolarHBondContact O-CG 3.21Å; Q330-L334 PolarHBondContact O-N 2.9Å; L334-G336 VanDerWaalsContact C-N 3.33Å; L334-G336 PolarHBondContact O-N 3.1Å; L334-Q337 WeakPolarHBondContact O-CB 3.02Å; L334-Q337 PolarHBondContact O-N 3.48Å; L334-Q337 VanDerWaalsContact O-N 3.12Å; L334-L338 WeakPolarHBondContact O-CG 3.36Å; L334-L338 PolarHBondContact O-N 3.48Å
335	T	89.3	Confident	87.4	Confident	70 Å²	70	74.7 Å²	74.7	43%	0.429	40%	0.395	S	S	.	.	H	α-helix	trans	-61	-44.8	178.7	-58.1	0	0	0	0	110.7	L331 H332 Q337 L338 I339	L331-T335 WeakPolarHBondContact O-CB 3.47Å; L331-T335 PolarHBondContact O-N 3.32Å; L331-T335 PolarHBondContact O-OG1 3.37Å; H332-T335 PolarHBondContact O-N 2.93Å; T335-Q337 VanDerWaalsContact C-N 3.27Å; T335-Q337 PolarHBondContact O-N 3.23Å; T335-L338 PolarHBondContact O-N 3.23Å; T335-I339 HydrophobicContact CG2-CD1 3.9Å; T335-I339 HydrophobicContact CG2-CG1 4.46Å; T335-I339 VanDerWaalsContact O-CG1 3.3Å; T335-I339 WeakPolarHBondContact O-CG1 3.37Å; T335-I339 PolarHBondContact O-N 3.03Å
336	G	86.8	Confident	86.7	Confident	27 Å²	27	77.5 Å²	77.5	28%	0.278	41%	0.407	S	S	.	.	H	α-helix	trans	-56.7	-41.2	174.2	0	0	0	0	0	112.3	H332 A333 L334 K340	H332-G336 PolarHBondContact O-N 3.23Å; A333-G336 PolarHBondContact O-N 3.1Å; L334-G336 VanDerWaalsContact C-N 3.33Å; L334-G336 PolarHBondContact O-N 3.1Å; G336-K340 VanDerWaalsContact O-CG 3.24Å; G336-K340 WeakPolarHBondContact O-CG 3.44Å; G336-K340 PolarHBondContact O-N 3.09Å; G336-K340 VanDerWaalsContact O-N 3.07Å
337	Q	86.6	Confident	85.5	Confident	66 Å²	66	88.2 Å²	88.2	31%	0.308	45%	0.453	S	S	.	.	H	α-helix	trans	-68.6	-42.6	177.4	-170.1	60.1	24.3	0	0	112.9	A333 L334 T335 I339 K340 D341	A333-Q337 PolarHBondContact O-N 3.38Å; L334-Q337 WeakPolarHBondContact O-CB 3.02Å; L334-Q337 PolarHBondContact O-N 3.48Å; L334-Q337 VanDerWaalsContact O-N 3.12Å; T335-Q337 VanDerWaalsContact C-N 3.27Å; T335-Q337 PolarHBondContact O-N 3.23Å; Q337-I339 VanDerWaalsContact C-N 3.32Å; Q337-I339 PolarHBondContact O-N 3Å; Q337-K340 PolarHBondContact O-N 3.3Å; Q337-D341 WeakPolarHBondContact O-CB 3.2Å; Q337-D341 PolarHBondContact O-N 3.37Å
338	L	89.1	Confident	85.2	Confident	120 Å²	120	90.3 Å²	90.3	63%	0.628	46%	0.456	S	S	*	.	H	α-helix	trans	-63.2	-38.8	177.2	-69.6	173.2	0	0	0	111.9	L334 T335 S342	L334-L338 WeakPolarHBondContact O-CG 3.36Å; L334-L338 PolarHBondContact O-N 3.48Å; T335-L338 PolarHBondContact O-N 3.23Å; L338-S342 WeakPolarHBondContact O-CB 3.36Å; L338-S342 PolarHBondContact O-N 2.76Å
339	I	89.2	Confident	85.1	Confident	93 Å²	93	89.8 Å²	89.8	48%	0.477	46%	0.455	S	S	.	.	H	α-helix	trans	-63.7	-47.7	174.7	-68.8	167.4	0	0	0	110.1	T335 Q337 D341 S342 L343	T335-I339 HydrophobicContact CG2-CD1 3.9Å; T335-I339 HydrophobicContact CG2-CG1 4.46Å; T335-I339 VanDerWaalsContact O-CG1 3.3Å; T335-I339 WeakPolarHBondContact O-CG1 3.37Å; T335-I339 PolarHBondContact O-N 3.03Å; Q337-I339 VanDerWaalsContact C-N 3.32Å; Q337-I339 PolarHBondContact O-N 3Å; I339-D341 PolarHBondContact O-N 3.14Å; I339-S342 PolarHBondContact O-N 3.46Å; I339-L343 HydrophobicContact CG2-CD1 3.74Å; I339-L343 HydrophobicContact CG2-CG 4.36Å; I339-L343 WeakPolarHBondContact O-CB 3.46Å; I339-L343 VanDerWaalsContact O-CG 3.3Å; I339-L343 WeakPolarHBondContact O-CG 3.39Å; I339-L343 PolarHBondContact O-N 3.11Å
340	K	88.3	Confident	85.3	Confident	46 Å²	46	91.6 Å²	91.6	20%	0.2	47%	0.465	C	S	.	.	H	α-helix	trans	-59.3	-47.6	177.6	-70.8	170.3	-167.2	-164.6	0	111.5	L272 S274 G336 Q337 S342 L343 F344	L272-K340 VanDerWaalsContact O-CD 3.3Å; L272-K340 WeakPolarHBondContact O-CD 3.19Å; L272-K340 WeakPolarHBondContact O-CE 3.45Å; L272-K340 PolarHBondContact O-NZ 2.76Å; S274-K340 PolarHBondContact O-NZ 3.26Å; G336-K340 VanDerWaalsContact O-CG 3.24Å; G336-K340 WeakPolarHBondContact O-CG 3.44Å; G336-K340 PolarHBondContact O-N 3.09Å; G336-K340 VanDerWaalsContact O-N 3.07Å; Q337-K340 PolarHBondContact O-N 3.3Å; K340-S342 VanDerWaalsContact C-N 3.34Å; K340-S342 PolarHBondContact O-N 3.38Å; K340-L343 PolarHBondContact O-N 2.77Å; K340-L343 VanDerWaalsContact O-N 3.16Å; K340-F344 HydrophobicContact CB-CD2 4.2Å; K340-F344 HydrophobicContact CB-CE2 4.49Å; K340-F344 HydrophobicContact CG-CE2 4.46Å; K340-F344 WeakPolarHBondContact O-CB 3.31Å; K340-F344 WeakPolarHBondContact O-CD2 3.5Å; K340-F344 PolarHBondContact O-N 3.03Å
341	D	88.2	Confident	85.3	Confident	75 Å²	75	94.1 Å²	94.1	40%	0.401	48%	0.479	S	S	.	.	H	α-helix	trans	-59.2	-45.7	177.7	-173	67.7	0	0	0	111.5	Q337 I339 L343 N345	Q337-D341 WeakPolarHBondContact O-CB 3.2Å; Q337-D341 PolarHBondContact O-N 3.37Å; I339-D341 PolarHBondContact O-N 3.14Å; D341-L343 VanDerWaalsContact C-N 3.29Å; D341-L343 PolarHBondContact O-N 3.21Å; D341-N345 WeakPolarHBondContact O-CB 3.37Å; D341-N345 PolarHBondContact O-N 3.23Å; D341-N345 PolarHBondContact OD1-ND2 2.73Å
342	S	90.9	Very high	85.1	Confident	49 Å²	49	93.6 Å²	93.6	34%	0.343	48%	0.475	S	S	.	.	H	α-helix	trans	-65	-29.1	176.9	-175.1	0	0	0	0	113.9	L338 I339 K340 K346	L338-S342 WeakPolarHBondContact O-CB 3.36Å; L338-S342 PolarHBondContact O-N 2.76Å; I339-S342 PolarHBondContact O-N 3.46Å; K340-S342 VanDerWaalsContact C-N 3.34Å; K340-S342 PolarHBondContact O-N 3.38Å; S342-K346 WeakPolarHBondContact O-CD 3.47Å; S342-K346 WeakPolarHBondContact OG-CE 3.35Å; S342-K346 PolarHBondContact OG-NZ 2.83Å
343	L	89.8	Confident	85.1	Confident	107 Å²	107	90.7 Å²	90.7	56%	0.56	47%	0.465	S	S	*	.	H	α-helix	trans	-86.3	-38.4	-178.9	-72.8	174.1	0	0	0	112.5	I339 K340 D341	I339-L343 HydrophobicContact CG2-CD1 3.74Å; I339-L343 HydrophobicContact CG2-CG 4.36Å; I339-L343 WeakPolarHBondContact O-CB 3.46Å; I339-L343 VanDerWaalsContact O-CG 3.3Å; I339-L343 WeakPolarHBondContact O-CG 3.39Å; I339-L343 PolarHBondContact O-N 3.11Å; K340-L343 PolarHBondContact O-N 2.77Å; K340-L343 VanDerWaalsContact O-N 3.16Å; D341-L343 VanDerWaalsContact C-N 3.29Å; D341-L343 PolarHBondContact O-N 3.21Å
344	F	88	Confident	85.2	Confident	115 Å²	115	95.9 Å²	95.9	50%	0.504	49%	0.487	S	S	.	.	H	α-helix	trans	-108.4	-23.4	-167.8	-59.5	-63.9	0	0	0	114.7	L272 K340	L272-F344 HydrophobicContact CD1-CE2 4.03Å; L272-F344 HydrophobicContact CD1-CZ 4.25Å; L272-F344 HydrophobicContact CD2-CE1 4.34Å; L272-F344 HydrophobicContact CD2-CE2 3.97Å; L272-F344 HydrophobicContact CD2-CZ 3.58Å; L272-F344 HydrophobicContact CG-CE2 4.14Å; L272-F344 HydrophobicContact CG-CZ 4.24Å; K340-F344 HydrophobicContact CB-CD2 4.2Å; K340-F344 HydrophobicContact CB-CE2 4.49Å; K340-F344 HydrophobicContact CG-CE2 4.46Å; K340-F344 WeakPolarHBondContact O-CB 3.31Å; K340-F344 WeakPolarHBondContact O-CD2 3.5Å; K340-F344 PolarHBondContact O-N 3.03Å
345	N	85.4	Confident	85.1	Confident	109 Å²	109	97.1 Å²	97.1	58%	0.583	49%	0.492	S	S	*	.	S	Bend	trans	-106.9	2.5	-176.7	-64.4	-25.2	0	0	0	113.8	D341 F347	D341-N345 WeakPolarHBondContact O-CB 3.37Å; D341-N345 PolarHBondContact O-N 3.23Å; D341-N345 PolarHBondContact OD1-ND2 2.73Å; N345-F347 VanDerWaalsContact C-N 3.29Å; N345-F347 PolarHBondContact O-N 2.98Å
346	K	73	Confident	84.7	Confident	138 Å²	138	99.3 Å²	99.3	60%	0.6	50%	0.497	S	S	*	.			trans	-85.1	8.1	180	-79.4	-168.2	178.7	166.1	0	115	S342	S342-K346 WeakPolarHBondContact O-CD 3.47Å; S342-K346 WeakPolarHBondContact OG-CE 3.35Å; S342-K346 PolarHBondContact OG-NZ 2.83Å
347	F	61.6	Low	84.5	Confident	247 Å²	247	105.9 Å²	105.9	100%	1.083	52%	0.517	S	S	*	.			trans	-138.6	0	173.1	-56.6	-78.1	0	0	0	108.9	N345	N345-F347 VanDerWaalsContact C-N 3.29Å; N345-F347 PolarHBondContact O-N 2.98Å

Retrieved 347 of 347 residues in 485.2 ms (Link to these results)

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