A0A0D9R5M2_CHLSB Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A0D9R5M2, Species CHLSB (Chlorocebus sabaeus, Green monkey), Gene STK38L, Length 470 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	39	Very low	37.1	Very low	249 Å²	249	137.4 Å²	137.4	100%	1.227	85%	0.848	S	S	*	*				0	112.5	0	-76.6	177.5	-178	0	0	107.1
2	G	36	Very low	37.5	Very low	81 Å²	81	131.6 Å²	131.6	84%	0.835	84%	0.836	S	S	*	*			trans	-76.3	144	-173.2	0	0	0	0	0	112.5
3	V	35.8	Very low	37.9	Very low	133 Å²	133	130.9 Å²	130.9	81%	0.806	83%	0.829	S	S	*	*			trans	-123.1	109.6	157	179.4	0	0	0	0	105.8
4	S	30.1	Very low	38.6	Very low	110 Å²	110	130.6 Å²	130.6	77%	0.769	83%	0.825	S	S	*	*			trans	-73.6	122.5	174.6	-168.3	0	0	0	0	108.5
5	V	36.8	Very low	39.3	Very low	127 Å²	127	128.8 Å²	128.8	77%	0.77	81%	0.813	S	S	*	*			trans	-111.4	100.3	166.8	-179.8	0	0	0	0	106.6	M7	V5-M7 PolarHBondContact O-N 3.41Å
6	T	35.5	Very low	40.3	Very low	128 Å²	128	128.6 Å²	128.6	79%	0.785	81%	0.81	S	S	*	*			trans	-68.1	106.7	172.9	26.2	0	0	0	0	109.6	A8	T6-A8 PolarHBondContact O-N 2.95Å
7	M	37.1	Very low	41.4	Very low	181 Å²	181	131.2 Å²	131.2	89%	0.892	81%	0.807	S	S	*	*			trans	-68.8	117.4	163.6	-95.9	-176.3	155.7	0	0	108.9	V5 M9	V5-M7 PolarHBondContact O-N 3.41Å; M7-M9 PolarHBondContact O-N 3.2Å; M7-M9 VanDerWaalsContact O-N 3.14Å
8	A	37.5	Very low	42.8	Very low	94 Å²	94	130.9 Å²	130.9	78%	0.777	81%	0.808	S	S	*	*			trans	-64.2	109.6	169.3	0	0	0	0	0	109.2	T6 T10	T6-A8 PolarHBondContact O-N 2.95Å; A8-T10 PolarHBondContact O-N 3.47Å
9	M	38.5	Very low	44.5	Very low	183 Å²	183	130.8 Å²	130.8	90%	0.901	80%	0.799	S	S	*	*			trans	-71.7	110	163.6	-73.4	-158.2	175.1	0	0	108.1	M7 A11	M7-M9 PolarHBondContact O-N 3.2Å; M7-M9 VanDerWaalsContact O-N 3.14Å; M9-A11 VanDerWaalsContact C-N 3.31Å; M9-A11 PolarHBondContact O-N 2.94Å
10	T	40.6	Very low	46.4	Very low	138 Å²	138	127.2 Å²	127.2	85%	0.847	78%	0.779	S	S	*	*			trans	-65.2	95.6	163.5	39	0	0	0	0	108	A8 G12	A8-T10 PolarHBondContact O-N 3.47Å; T10-G12 VanDerWaalsContact C-N 3.3Å; T10-G12 PolarHBondContact O-N 3.45Å
11	A	41.8	Very low	47.8	Very low	87 Å²	87	127.1 Å²	127.1	72%	0.719	77%	0.774	S	S	*	*			trans	-62.3	96.3	164.8	0	0	0	0	0	107.7	M9 T13	M9-A11 VanDerWaalsContact C-N 3.31Å; M9-A11 PolarHBondContact O-N 2.94Å; A11-T13 VanDerWaalsContact C-N 3.34Å; A11-T13 PolarHBondContact O-N 3.23Å
12	G	41.5	Very low	49.5	Very low	68 Å²	68	120.9 Å²	120.9	70%	0.701	74%	0.741	S	S	*	*			trans	-58.9	102.2	163.2	0	0	0	0	0	107.5	T10 T14	T10-G12 VanDerWaalsContact C-N 3.3Å; T10-G12 PolarHBondContact O-N 3.45Å; G12-T14 VanDerWaalsContact C-N 3.32Å; G12-T14 PolarHBondContact O-N 3.41Å
13	T	43	Very low	51.7	Low	123 Å²	123	120 Å²	120	76%	0.755	72%	0.72	S	S	*	*			trans	-61.5	98.1	167.9	26.5	0	0	0	0	107	A11 T15	A11-T13 VanDerWaalsContact C-N 3.34Å; A11-T13 PolarHBondContact O-N 3.23Å; T13-T15 PolarHBondContact O-N 3Å
14	T	47.4	Very low	53.7	Low	126 Å²	126	120.8 Å²	120.8	77%	0.773	71%	0.709	S	S	*	*			trans	-63	90.9	161.4	33.2	0	0	0	0	106.4	G12 T16	G12-T14 VanDerWaalsContact C-N 3.32Å; G12-T14 PolarHBondContact O-N 3.41Å; T14-T16 PolarHBondContact O-N 2.97Å
15	T	48.6	Very low	55.8	Low	104 Å²	104	119 Å²	119	64%	0.638	69%	0.688	S	S	*	*			trans	-63.9	87.9	166.6	35.8	0	0	0	0	106.6	T13 F17	T13-T15 PolarHBondContact O-N 3Å; T15-F17 PolarHBondContact O-N 3.35Å
16	T	55.5	Low	57.9	Low	125 Å²	125	121.1 Å²	121.1	77%	0.767	68%	0.682	S	S	*	*			trans	-66.8	93.5	167.3	42.8	0	0	0	0	106.3	T14 P18	T14-T16 PolarHBondContact O-N 2.97Å; T16-P18 WeakPolarHBondContact O-CD 3.4Å; T16-P18 VanDerWaalsContact O-N 3.17Å
17	F	58.5	Low	60.3	Low	173 Å²	173	119.3 Å²	119.3	76%	0.759	67%	0.67	S	S	*	*			trans	-56.7	122.7	168.7	-74.5	-83	0	0	0	107.2	T15 M19	T15-F17 PolarHBondContact O-N 3.35Å; F17-M19 PolarHBondContact O-N 2.95Å
18	P	68.3	Low	62.2	Low	126 Å²	126	114.4 Å²	114.4	82%	0.818	65%	0.651	S	S	*	*			trans	-60.6	113.5	179	21.8	-29.6	0	0	0	107.9	T16 S20	T16-P18 WeakPolarHBondContact O-CD 3.4Å; T16-P18 VanDerWaalsContact O-N 3.17Å; P18-S20 PolarHBondContact O-N 3.19Å
19	M	74.4	Confident	64	Low	130 Å²	130	112.2 Å²	112.2	64%	0.64	63%	0.628	S	S	*	*			trans	-57.7	127	177.8	-79.7	-164	-77.8	0	0	109.1	F17 R24	F17-M19 PolarHBondContact O-N 2.95Å; M19-R24 HydrophobicContact CB-CG 4.11Å
20	S	82.4	Confident	66.2	Low	57 Å²	57	105.9 Å²	105.9	40%	0.399	60%	0.604	S	S	.	*			trans	-58.4	147.4	177.9	81.7	0	0	0	0	110.6	P18 H22 T23 R24	P18-S20 PolarHBondContact O-N 3.19Å; S20-H22 PolarHBondContact O-N 2.79Å; S20-T23 PolarHBondContact O-N 3.3Å; S20-T23 PolarHBondContact OG-N 3.1Å; S20-T23 PolarHBondContact OG-OG1 2.78Å; S20-R24 PolarHBondContact O-N 3.36Å
21	N	75	Confident	68.2	Low	126 Å²	126	105.3 Å²	105.3	67%	0.674	59%	0.59	S	S	*	*	H	α-helix	trans	-56.2	-34.9	174.9	-74.1	-20.2	0	0	0	111.7	R24 E25	N21-R24 PolarHBondContact O-N 3.01Å; N21-E25 WeakPolarHBondContact O-CB 3.42Å; N21-E25 PolarHBondContact O-N 3.4Å
22	H	76.3	Confident	69.8	Low	118 Å²	118	103.9 Å²	103.9	55%	0.546	57%	0.57	S	S	.	*	H	α-helix	trans	-60	-47	173.7	-179.6	73.9	0	0	0	112.4	S20 E25 R26	S20-H22 PolarHBondContact O-N 2.79Å; H22-E25 PolarHBondContact O-N 3.06Å; H22-R26 WeakPolarHBondContact NE2-CD 3.45Å; H22-R26 WeakPolarHBondContact O-CG 3.33Å; H22-R26 PolarHBondContact O-N 3.45Å
23	T	82.1	Confident	71.5	Confident	62 Å²	62	103.7 Å²	103.7	38%	0.38	56%	0.556	S	S	.	*	H	α-helix	trans	-63.1	-43.4	177.2	-51.7	0	0	0	0	111	S20 E25 R26 V27	S20-T23 PolarHBondContact O-N 3.3Å; S20-T23 PolarHBondContact OG-N 3.1Å; S20-T23 PolarHBondContact OG-OG1 2.78Å; T23-E25 PolarHBondContact O-N 2.96Å; T23-R26 PolarHBondContact O-N 3.02Å; T23-V27 WeakPolarHBondContact O-CG2 3.5Å; T23-V27 PolarHBondContact O-N 3.12Å
24	R	76.9	Confident	73.5	Confident	151 Å²	151	102.9 Å²	102.9	57%	0.57	55%	0.546	S	S	*	.	H	α-helix	trans	-60.4	-44.3	176.9	-70.1	176.2	64.6	175.5	0.4	111.7	M19 S20 N21 V27 T28	M19-R24 HydrophobicContact CB-CG 4.11Å; S20-R24 PolarHBondContact O-N 3.36Å; N21-R24 PolarHBondContact O-N 3.01Å; R24-V27 PolarHBondContact O-N 3.38Å; R24-T28 PolarHBondContact O-N 3.33Å; R24-T28 PolarHBondContact O-OG1 3.03Å
25	E	74.8	Confident	75.2	Confident	71 Å²	71	101.3 Å²	101.3	33%	0.332	53%	0.53	S	S	.	.	H	α-helix	trans	-62.7	-45.5	177.3	-171.2	174.4	-158.9	0	0	111.6	N21 H22 T23 V27 T28 V29 S439	N21-E25 WeakPolarHBondContact O-CB 3.42Å; N21-E25 PolarHBondContact O-N 3.4Å; H22-E25 PolarHBondContact O-N 3.06Å; T23-E25 PolarHBondContact O-N 2.96Å; E25-V27 VanDerWaalsContact C-N 3.35Å; E25-V27 PolarHBondContact O-N 2.9Å; E25-T28 WeakPolarHBondContact O-CB 3.49Å; E25-T28 PolarHBondContact O-N 3.22Å; E25-V29 WeakPolarHBondContact O-CG2 3.45Å; E25-V29 PolarHBondContact O-N 3.5Å; E25-S439 VanDerWaalsContact OE1-O 3.07Å
26	R	81.1	Confident	76.4	Confident	173 Å²	173	98.3 Å²	98.3	65%	0.653	51%	0.51	S	S	*	.	H	α-helix	trans	-62.5	-38.7	176.9	-69.9	-159.6	75.2	-178.6	3.3	113.1	H22 T23 V29 A30	H22-R26 WeakPolarHBondContact NE2-CD 3.45Å; H22-R26 WeakPolarHBondContact O-CG 3.33Å; H22-R26 PolarHBondContact O-N 3.45Å; T23-R26 PolarHBondContact O-N 3.02Å; R26-V29 PolarHBondContact O-N 2.91Å; R26-A30 WeakPolarHBondContact O-CB 3.43Å; R26-A30 PolarHBondContact O-N 3.44Å
27	V	84.4	Confident	77.7	Confident	89 Å²	89	98 Å²	98	54%	0.539	50%	0.498	S	S	.	.	H	α-helix	trans	-64.8	-44.2	175.2	171	0	0	0	0	110.6	T23 R24 E25 V29 A30 K31	T23-V27 WeakPolarHBondContact O-CG2 3.5Å; T23-V27 PolarHBondContact O-N 3.12Å; R24-V27 PolarHBondContact O-N 3.38Å; E25-V27 VanDerWaalsContact C-N 3.35Å; E25-V27 PolarHBondContact O-N 2.9Å; V27-V29 PolarHBondContact O-N 3.42Å; V27-A30 PolarHBondContact O-N 3.3Å; V27-K31 WeakPolarHBondContact O-CB 3.45Å; V27-K31 PolarHBondContact O-N 3.31Å
28	T	77.2	Confident	79	Confident	79 Å²	79	96.4 Å²	96.4	49%	0.485	49%	0.488	S	S	.	.	H	α-helix	trans	-59.7	-46.9	175.6	-59.6	0	0	0	0	111.5	R24 E25 A30 K31 L32	R24-T28 PolarHBondContact O-N 3.33Å; R24-T28 PolarHBondContact O-OG1 3.03Å; E25-T28 WeakPolarHBondContact O-CB 3.49Å; E25-T28 PolarHBondContact O-N 3.22Å; T28-A30 PolarHBondContact O-N 2.9Å; T28-K31 PolarHBondContact O-N 2.99Å; T28-L32 HydrophobicContact CG2-CD1 4.02Å; T28-L32 WeakPolarHBondContact O-CB 3.32Å; T28-L32 WeakPolarHBondContact O-CG 3.49Å; T28-L32 PolarHBondContact O-N 3.03Å
29	V	76.8	Confident	79.5	Confident	48 Å²	48	93.5 Å²	93.5	29%	0.291	47%	0.471	S	S	.	.	H	α-helix	trans	-62	-43.8	177.1	172.6	0	0	0	0	111.2	E25 R26 V27 L32 T33 W442	E25-V29 WeakPolarHBondContact O-CG2 3.45Å; E25-V29 PolarHBondContact O-N 3.5Å; R26-V29 PolarHBondContact O-N 2.91Å; V27-V29 PolarHBondContact O-N 3.42Å; V29-L32 PolarHBondContact O-N 3.33Å; V29-T33 VanDerWaalsContact O-CB 3.31Å; V29-T33 WeakPolarHBondContact O-CB 3.23Å; V29-T33 PolarHBondContact O-N 2.88Å; V29-T33 PolarHBondContact O-OG1 2.99Å; V29-W442 HydrophobicContact CG2-CB 3.99Å; V29-W442 HydrophobicContact CG2-CG 4.34Å
30	A	83.6	Confident	79.7	Confident	49 Å²	49	90.2 Å²	90.2	41%	0.405	46%	0.456	S	S	.	.	H	α-helix	trans	-62.9	-45	178.5	0	0	0	0	0	111.8	R26 V27 T28 T33 L34	R26-A30 WeakPolarHBondContact O-CB 3.43Å; R26-A30 PolarHBondContact O-N 3.44Å; V27-A30 PolarHBondContact O-N 3.3Å; T28-A30 PolarHBondContact O-N 2.9Å; A30-T33 PolarHBondContact O-N 3.1Å; A30-L34 WeakPolarHBondContact O-CG 3.29Å; A30-L34 PolarHBondContact O-N 3.33Å
31	K	83.3	Confident	79.8	Confident	126 Å²	126	91.8 Å²	91.8	55%	0.548	46%	0.459	S	S	.	.	H	α-helix	trans	-57.8	-54.1	175.5	179.4	179.4	172.9	-178.5	0	111.1	V27 T28 T33 L34 E35	V27-K31 WeakPolarHBondContact O-CB 3.45Å; V27-K31 PolarHBondContact O-N 3.31Å; T28-K31 PolarHBondContact O-N 2.99Å; K31-T33 VanDerWaalsContact C-N 3.25Å; K31-T33 PolarHBondContact O-N 2.8Å; K31-L34 PolarHBondContact O-N 3.31Å; K31-E35 WeakPolarHBondContact CE-OE1 3.14Å; K31-E35 HydrophobicContact CG-CG 4.43Å; K31-E35 IonicContact NZ-OE1 3.91Å; K31-E35 WeakPolarHBondContact O-CG 3.43Å; K31-E35 PolarHBondContact O-N 3.45Å
32	L	75	Confident	80.3	Confident	58 Å²	58	90.4 Å²	90.4	30%	0.304	45%	0.451	S	S	.	.	H	α-helix	trans	-58.9	-38.1	178.5	-72	172	0	0	0	111.8	T28 V29 N36 W442 L445	T28-L32 HydrophobicContact CG2-CD1 4.02Å; T28-L32 WeakPolarHBondContact O-CB 3.32Å; T28-L32 WeakPolarHBondContact O-CG 3.49Å; T28-L32 PolarHBondContact O-N 3.03Å; V29-L32 PolarHBondContact O-N 3.33Å; L32-N36 WeakPolarHBondContact O-CB 3.44Å; L32-N36 PolarHBondContact O-N 2.67Å; L32-N36 PolarHBondContact O-ND2 2.69Å; L32-W442 HydrophobicContact CD1-CE3 4.45Å; L32-L445 HydrophobicContact CB-CD2 4.29Å
33	T	77.4	Confident	80.6	Confident	64 Å²	64	89 Å²	89	39%	0.393	45%	0.447	S	S	.	.	H	α-helix	trans	-64.6	-44.3	178.3	-58.2	0	0	0	0	111.5	V29 A30 K31 F37	V29-T33 VanDerWaalsContact O-CB 3.31Å; V29-T33 WeakPolarHBondContact O-CB 3.23Å; V29-T33 PolarHBondContact O-N 2.88Å; V29-T33 PolarHBondContact O-OG1 2.99Å; A30-T33 PolarHBondContact O-N 3.1Å; K31-T33 VanDerWaalsContact C-N 3.25Å; K31-T33 PolarHBondContact O-N 2.8Å; T33-F37 WeakPolarHBondContact O-CB 3.12Å; T33-F37 PolarHBondContact O-N 3.22Å
34	L	85.8	Confident	80.6	Confident	105 Å²	105	89.4 Å²	89.4	55%	0.55	44%	0.444	S	S	.	.	H	α-helix	trans	-69.6	-45.3	179.9	-72.2	170.7	0	0	0	112.3	A30 K31 N36 F37 Y38	A30-L34 WeakPolarHBondContact O-CG 3.29Å; A30-L34 PolarHBondContact O-N 3.33Å; K31-L34 PolarHBondContact O-N 3.31Å; L34-N36 VanDerWaalsContact C-N 3.32Å; L34-N36 PolarHBondContact O-N 2.69Å; L34-F37 PolarHBondContact O-N 2.76Å; L34-Y38 WeakPolarHBondContact O-CD2 3.41Å; L34-Y38 PolarHBondContact O-N 3.45Å; L34-Y38 VanDerWaalsContact O-N 3.12Å
35	E	82.1	Confident	81	Confident	93 Å²	93	87.6 Å²	87.6	44%	0.435	44%	0.442	S	S	.	.	H	α-helix	trans	-57.7	-48.3	176.1	-72.4	174.3	164.1	0	0	110.3	K31 F37 Y38 S39	K31-E35 WeakPolarHBondContact CE-OE1 3.14Å; K31-E35 HydrophobicContact CG-CG 4.43Å; K31-E35 IonicContact NZ-OE1 3.91Å; K31-E35 WeakPolarHBondContact O-CG 3.43Å; K31-E35 PolarHBondContact O-N 3.45Å; E35-F37 VanDerWaalsContact C-N 3.34Å; E35-F37 PolarHBondContact O-N 2.78Å; E35-Y38 PolarHBondContact O-N 3.39Å; E35-S39 WeakPolarHBondContact O-CB 3.35Å; E35-S39 PolarHBondContact O-N 3.36Å; E35-S39 PolarHBondContact O-OG 2.99Å; E35-S39 VanDerWaalsContact O-OG 3.05Å
36	N	74.2	Confident	81.6	Confident	41 Å²	41	89.1 Å²	89.1	22%	0.219	45%	0.449	C	S	.	.	H	α-helix	trans	-63.1	-38.4	176.7	-75.8	-42.7	0	0	0	113	L32 L34 N40 N446	L32-N36 WeakPolarHBondContact O-CB 3.44Å; L32-N36 PolarHBondContact O-N 2.67Å; L32-N36 PolarHBondContact O-ND2 2.69Å; L34-N36 VanDerWaalsContact C-N 3.32Å; L34-N36 PolarHBondContact O-N 2.69Å; N36-N40 WeakPolarHBondContact O-CB 3.45Å; N36-N40 PolarHBondContact O-N 2.87Å; N36-N40 PolarHBondContact O-ND2 3.49Å; N36-N446 PolarHBondContact ND2-ND2 2.92Å; N36-N446 PolarHBondContact OD1-ND2 3.02Å
37	F	82.4	Confident	81.8	Confident	118 Å²	118	84.8 Å²	84.8	52%	0.518	44%	0.437	S	S	.	.	H	α-helix	trans	-60	-51.1	178.7	176.1	-95.8	0	0	0	111.4	T33 L34 E35 L41	T33-F37 WeakPolarHBondContact O-CB 3.12Å; T33-F37 PolarHBondContact O-N 3.22Å; L34-F37 PolarHBondContact O-N 2.76Å; E35-F37 VanDerWaalsContact C-N 3.34Å; E35-F37 PolarHBondContact O-N 2.78Å; F37-L41 HydrophobicContact CE1-CD2 4.48Å; F37-L41 WeakPolarHBondContact O-CB 3.35Å; F37-L41 PolarHBondContact O-N 2.58Å
38	Y	86.3	Confident	81.9	Confident	140 Å²	140	85.9 Å²	85.9	55%	0.549	43%	0.431	S	S	.	.	H	α-helix	trans	-72.1	-40.2	-178	-76.3	-70.3	0	0	0	112.8	L34 E35 N40 L41 I42	L34-Y38 WeakPolarHBondContact O-CD2 3.41Å; L34-Y38 PolarHBondContact O-N 3.45Å; L34-Y38 VanDerWaalsContact O-N 3.12Å; E35-Y38 PolarHBondContact O-N 3.39Å; Y38-N40 VanDerWaalsContact C-N 3.34Å; Y38-N40 PolarHBondContact O-N 2.91Å; Y38-L41 HydrophobicContact CD1-CD2 4.45Å; Y38-L41 WeakPolarHBondContact O-CB 3.4Å; Y38-L41 PolarHBondContact O-N 3.33Å; Y38-L41 VanDerWaalsContact O-N 3.16Å; Y38-I42 WeakPolarHBondContact O-CG1 3.31Å; Y38-I42 PolarHBondContact O-N 3.36Å
39	S	78.8	Confident	82.5	Confident	65 Å²	65	87.3 Å²	87.3	46%	0.455	43%	0.432	S	S	.	.	H	α-helix	trans	-59.7	-45.6	174.7	-63.5	0	0	0	0	111.5	E35 L41 I42 L43	E35-S39 WeakPolarHBondContact O-CB 3.35Å; E35-S39 PolarHBondContact O-N 3.36Å; E35-S39 PolarHBondContact O-OG 2.99Å; E35-S39 VanDerWaalsContact O-OG 3.05Å; S39-L41 VanDerWaalsContact C-N 3.32Å; S39-L41 PolarHBondContact O-N 2.93Å; S39-I42 PolarHBondContact O-N 3.29Å; S39-L43 WeakPolarHBondContact O-CG 3.28Å; S39-L43 PolarHBondContact O-N 2.9Å
40	N	77.8	Confident	83.1	Confident	61 Å²	61	88.3 Å²	88.3	33%	0.326	44%	0.438	S	S	.	.	H	α-helix	trans	-64.1	-37.4	175.5	-75.1	-40.4	0	0	0	112	N36 Y38 I42 Q44	N36-N40 WeakPolarHBondContact O-CB 3.45Å; N36-N40 PolarHBondContact O-N 2.87Å; N36-N40 PolarHBondContact O-ND2 3.49Å; Y38-N40 VanDerWaalsContact C-N 3.34Å; Y38-N40 PolarHBondContact O-N 2.91Å; N40-I42 VanDerWaalsContact C-N 3.34Å; N40-I42 PolarHBondContact O-N 2.59Å; N40-Q44 WeakPolarHBondContact O-CB 3.48Å; N40-Q44 WeakPolarHBondContact O-CG 3.43Å; N40-Q44 PolarHBondContact O-N 3.49Å
41	L	84.4	Confident	83.5	Confident	90 Å²	90	88 Å²	88	47%	0.471	43%	0.427	S	S	.	.	H	α-helix	trans	-62.7	-42.2	178.7	-174.4	66.7	0	0	0	111.7	F37 Y38 S39 H45	F37-L41 HydrophobicContact CE1-CD2 4.48Å; F37-L41 WeakPolarHBondContact O-CB 3.35Å; F37-L41 PolarHBondContact O-N 2.58Å; Y38-L41 HydrophobicContact CD1-CD2 4.45Å; Y38-L41 WeakPolarHBondContact O-CB 3.4Å; Y38-L41 PolarHBondContact O-N 3.33Å; Y38-L41 VanDerWaalsContact O-N 3.16Å; S39-L41 VanDerWaalsContact C-N 3.32Å; S39-L41 PolarHBondContact O-N 2.93Å; L41-H45 PolarHBondContact O-N 3.12Å
42	I	86.3	Confident	83.8	Confident	98 Å²	98	86.4 Å²	86.4	50%	0.503	42%	0.421	S	S	.	.	H	α-helix	trans	-65.4	-52.6	177.3	-66.5	166.5	0	0	0	110.3	Y38 S39 N40 Q44 H45 E46	Y38-I42 WeakPolarHBondContact O-CG1 3.31Å; Y38-I42 PolarHBondContact O-N 3.36Å; S39-I42 PolarHBondContact O-N 3.29Å; N40-I42 VanDerWaalsContact C-N 3.34Å; N40-I42 PolarHBondContact O-N 2.59Å; I42-Q44 PolarHBondContact O-N 3.25Å; I42-H45 WeakPolarHBondContact O-CB 3.37Å; I42-H45 PolarHBondContact O-N 2.84Å; I42-E46 HydrophobicContact CG2-CG 4.46Å; I42-E46 PolarHBondContact O-N 3.06Å
43	L	81.3	Confident	84.6	Confident	89 Å²	89	90.9 Å²	90.9	47%	0.466	44%	0.438	S	S	.	.	H	α-helix	trans	-54.9	-41.9	178.5	-73.1	171.4	0	0	0	111.9	S39 H45 E46 E47	S39-L43 WeakPolarHBondContact O-CG 3.28Å; S39-L43 PolarHBondContact O-N 2.9Å; L43-H45 VanDerWaalsContact C-N 3.29Å; L43-H45 PolarHBondContact O-N 3.34Å; L43-E46 PolarHBondContact O-N 3.29Å; L43-E47 WeakPolarHBondContact O-CB 3.42Å; L43-E47 VanDerWaalsContact O-CG 3.3Å; L43-E47 WeakPolarHBondContact O-CG 3.42Å; L43-E47 PolarHBondContact O-N 3.33Å
44	Q	82	Confident	85.2	Confident	69 Å²	69	95.1 Å²	95.1	32%	0.322	45%	0.451	S	S	.	.	H	α-helix	trans	-64.7	-33.2	178.6	-72.7	177.3	36.4	0	0	113.5	N40 I42 R48 K87	N40-Q44 WeakPolarHBondContact O-CB 3.48Å; N40-Q44 WeakPolarHBondContact O-CG 3.43Å; N40-Q44 PolarHBondContact O-N 3.49Å; I42-Q44 PolarHBondContact O-N 3.25Å; Q44-R48 WeakPolarHBondContact O-CB 3.45Å; Q44-R48 PolarHBondContact O-N 3.08Å; Q44-K87 VanDerWaalsContact CD-NZ 3.33Å; Q44-K87 VanDerWaalsContact CG-NZ 3.29Å
45	H	86.4	Confident	85.5	Confident	113 Å²	113	91.5 Å²	91.5	52%	0.523	43%	0.432	S	S	.	.	H	α-helix	trans	-69.7	-47.5	174.9	179	54.3	0	0	0	110.7	L41 I42 L43 E47 R48 E49	L41-H45 PolarHBondContact O-N 3.12Å; I42-H45 WeakPolarHBondContact O-CB 3.37Å; I42-H45 PolarHBondContact O-N 2.84Å; L43-H45 VanDerWaalsContact C-N 3.29Å; L43-H45 PolarHBondContact O-N 3.34Å; H45-E47 PolarHBondContact O-N 3.07Å; H45-R48 WeakPolarHBondContact O-CB 3.41Å; H45-R48 PolarHBondContact O-N 2.79Å; H45-R48 VanDerWaalsContact O-N 3.14Å; H45-E49 WeakPolarHBondContact O-CG 3.47Å; H45-E49 PolarHBondContact O-N 3.09Å
46	E	87.7	Confident	85.9	Confident	104 Å²	104	89.9 Å²	89.9	49%	0.486	43%	0.425	S	S	.	.	H	α-helix	trans	-60.8	-43.2	177.8	-68.1	175.8	167.7	0	0	112.5	I42 L43 R48 E49 T50	I42-E46 HydrophobicContact CG2-CG 4.46Å; I42-E46 PolarHBondContact O-N 3.06Å; L43-E46 PolarHBondContact O-N 3.29Å; E46-R48 VanDerWaalsContact C-N 3.28Å; E46-R48 PolarHBondContact O-N 3.11Å; E46-E49 PolarHBondContact O-N 3.46Å; E46-T50 VanDerWaalsContact O-CB 3.32Å; E46-T50 WeakPolarHBondContact O-CB 3.48Å; E46-T50 PolarHBondContact O-N 2.87Å; E46-T50 PolarHBondContact O-OG1 3.24Å
47	E	84.6	Confident	86.8	Confident	82 Å²	82	91.2 Å²	91.2	38%	0.383	43%	0.434	S	S	.	.	H	α-helix	trans	-60	-39.4	175	-78.7	-179.5	179	0	0	112	L43 H45 T50 R51	L43-E47 WeakPolarHBondContact O-CB 3.42Å; L43-E47 VanDerWaalsContact O-CG 3.3Å; L43-E47 WeakPolarHBondContact O-CG 3.42Å; L43-E47 PolarHBondContact O-N 3.33Å; H45-E47 PolarHBondContact O-N 3.07Å; E47-T50 PolarHBondContact O-N 3.29Å; E47-R51 WeakPolarHBondContact O-CG 3.31Å; E47-R51 PolarHBondContact O-N 3.1Å; E47-R51 IonicContact OE2-NH1 3.81Å
48	R	86.9	Confident	87.2	Confident	111 Å²	111	87.1 Å²	87.1	42%	0.419	42%	0.422	S	S	.	.	H	α-helix	trans	-69.4	-45.1	-180	-179.1	175.1	176.5	-154.6	-2.6	111.5	Q44 H45 E46 T50 R51 Q52 E80	Q44-R48 WeakPolarHBondContact O-CB 3.45Å; Q44-R48 PolarHBondContact O-N 3.08Å; H45-R48 WeakPolarHBondContact O-CB 3.41Å; H45-R48 PolarHBondContact O-N 2.79Å; H45-R48 VanDerWaalsContact O-N 3.14Å; E46-R48 VanDerWaalsContact C-N 3.28Å; E46-R48 PolarHBondContact O-N 3.11Å; R48-T50 VanDerWaalsContact C-N 3.29Å; R48-T50 PolarHBondContact O-N 3.13Å; R48-R51 PolarHBondContact O-N 3.32Å; R48-Q52 PolarHBondContact O-N 3.24Å; R48-E80 IonicContact NE-OE2 3.32Å
49	E	90.4	Very high	87.5	Confident	109 Å²	109	80.5 Å²	80.5	51%	0.509	40%	0.396	S	S	.	.	H	α-helix	trans	-57.6	-45.1	172.3	-72.7	-83.3	121.5	0	0	110.6	H45 E46 Q52 K53	H45-E49 WeakPolarHBondContact O-CG 3.47Å; H45-E49 PolarHBondContact O-N 3.09Å; E46-E49 PolarHBondContact O-N 3.46Å; E49-Q52 PolarHBondContact O-N 3.49Å; E49-K53 WeakPolarHBondContact O-CB 3.2Å; E49-K53 PolarHBondContact O-N 2.82Å
50	T	89.1	Confident	88	Confident	69 Å²	69	83.4 Å²	83.4	42%	0.423	40%	0.403	S	S	.	.	H	α-helix	trans	-63	-45	179.3	-59.8	0	0	0	0	112	E46 E47 R48 Q52 K53 K54	E46-T50 VanDerWaalsContact O-CB 3.32Å; E46-T50 WeakPolarHBondContact O-CB 3.48Å; E46-T50 PolarHBondContact O-N 2.87Å; E46-T50 PolarHBondContact O-OG1 3.24Å; E47-T50 PolarHBondContact O-N 3.29Å; R48-T50 VanDerWaalsContact C-N 3.29Å; R48-T50 PolarHBondContact O-N 3.13Å; T50-Q52 VanDerWaalsContact C-N 3.34Å; T50-Q52 PolarHBondContact O-N 2.91Å; T50-K53 PolarHBondContact O-N 3.24Å; T50-K54 WeakPolarHBondContact O-CG 3.26Å; T50-K54 PolarHBondContact O-N 3.4Å
51	R	90.6	Very high	88.7	Confident	43 Å²	43	88.1 Å²	88.1	16%	0.162	42%	0.423	C	S	.	.	H	α-helix	trans	-61.8	-42.4	175.9	-77.5	-171.4	-62.3	-85.7	-4.4	111.9	E47 R48 K54 L55 E80	E47-R51 WeakPolarHBondContact O-CG 3.31Å; E47-R51 PolarHBondContact O-N 3.1Å; E47-R51 IonicContact OE2-NH1 3.81Å; R48-R51 PolarHBondContact O-N 3.32Å; R51-K54 PolarHBondContact O-N 3.39Å; R51-L55 PolarHBondContact O-N 3.02Å; R51-E80 IonicContact CZ-OE1 2.87Å; R51-E80 IonicContact NE-OE1 2.75Å; R51-E80 PolarHBondContact NE-OE1 2.88Å; R51-E80 IonicContact NH2-OE1 2.54Å; R51-E80 PolarHBondContact NH2-OE1 3.29Å; R51-E80 VanDerWaalsContact NH2-OE1 3.12Å; R51-E80 IonicContact NH2-OE2 2.59Å; R51-E80 PolarHBondContact NH2-OE2 3.47Å
52	Q	90.3	Very high	89.1	Confident	92 Å²	92	88.6 Å²	88.6	43%	0.43	42%	0.423	S	S	.	.	H	α-helix	trans	-61.2	-46.3	174.8	-177.8	174.2	-5.5	0	0	111.3	R48 E49 T50 K54 L55 E56	R48-Q52 PolarHBondContact O-N 3.24Å; E49-Q52 PolarHBondContact O-N 3.49Å; T50-Q52 VanDerWaalsContact C-N 3.34Å; T50-Q52 PolarHBondContact O-N 2.91Å; Q52-K54 PolarHBondContact O-N 3.5Å; Q52-L55 WeakPolarHBondContact O-CB 3.48Å; Q52-L55 PolarHBondContact O-N 3.03Å; Q52-E56 WeakPolarHBondContact O-CG 3.44Å; Q52-E56 PolarHBondContact O-N 3.14Å
53	K	92.4	Very high	89.2	Confident	153 Å²	153	86.9 Å²	86.9	67%	0.665	43%	0.429	S	S	*	.	H	α-helix	trans	-60.3	-43.8	177.4	-171.5	178.3	-179.6	-178.2	0	112.3	E49 T50 L55 E56 V57	E49-K53 WeakPolarHBondContact O-CB 3.2Å; E49-K53 PolarHBondContact O-N 2.82Å; T50-K53 PolarHBondContact O-N 3.24Å; K53-L55 VanDerWaalsContact C-N 3.32Å; K53-L55 PolarHBondContact O-N 3.42Å; K53-E56 PolarHBondContact O-N 3.07Å; K53-V57 WeakPolarHBondContact O-CG2 3.5Å; K53-V57 PolarHBondContact O-N 3.07Å
54	K	90.2	Very high	89.6	Confident	152 Å²	152	84.2 Å²	84.2	66%	0.661	42%	0.415	S	S	*	.	H	α-helix	trans	-60.2	-40.7	175.9	-75.2	-177.3	178.2	-174.3	0	112.1	T50 R51 Q52 V57 A58	T50-K54 WeakPolarHBondContact O-CG 3.26Å; T50-K54 PolarHBondContact O-N 3.4Å; R51-K54 PolarHBondContact O-N 3.39Å; Q52-K54 PolarHBondContact O-N 3.5Å; K54-V57 PolarHBondContact O-N 2.98Å; K54-A58 WeakPolarHBondContact O-CB 3.39Å; K54-A58 PolarHBondContact O-N 3.46Å
55	L	90.4	Very high	90.1	Very high	30 Å²	30	84.3 Å²	84.3	16%	0.157	43%	0.428	C	S	.	.	H	α-helix	trans	-61.2	-46.4	175.1	177.6	69.8	0	0	0	111.5	R51 Q52 K53 V57 A58 M59 H76	R51-L55 PolarHBondContact O-N 3.02Å; Q52-L55 WeakPolarHBondContact O-CB 3.48Å; Q52-L55 PolarHBondContact O-N 3.03Å; K53-L55 VanDerWaalsContact C-N 3.32Å; K53-L55 PolarHBondContact O-N 3.42Å; L55-V57 PolarHBondContact O-N 3.5Å; L55-A58 PolarHBondContact O-N 2.95Å; L55-M59 HydrophobicContact CD1-CG 4.22Å; L55-M59 HydrophobicContact CD1-SD 4.25Å; L55-M59 HydrophobicContact CD2-CE 4.4Å; L55-M59 HydrophobicContact CG-CE 3.98Å; L55-M59 HydrophobicContact CG-CG 4.4Å; L55-M59 HydrophobicContact CG-SD 4.13Å; L55-M59 WeakPolarHBondContact O-CB 3.42Å; L55-M59 VanDerWaalsContact O-CG 3.26Å; L55-M59 WeakPolarHBondContact O-CG 3.27Å; L55-M59 PolarHBondContact O-N 3.43Å; L55-H76 HydrophobicContact CD2-CB 3.46Å; L55-H76 VanDerWaalsContact CD2-CB 3.46Å
56	E	92.4	Very high	90.4	Very high	58 Å²	58	85.1 Å²	85.1	27%	0.271	44%	0.436	S	S	.	.	H	α-helix	trans	-62.1	-43	179.9	-64.2	-59.6	151.6	0	0	111.9	Q52 K53 M59 E60 R73	Q52-E56 WeakPolarHBondContact O-CG 3.44Å; Q52-E56 PolarHBondContact O-N 3.14Å; K53-E56 PolarHBondContact O-N 3.07Å; E56-M59 VanDerWaalsContact CD-CE 3.44Å; E56-M59 HydrophobicContact CG-CE 4.46Å; E56-M59 PolarHBondContact O-N 3.11Å; E56-M59 WeakPolarHBondContact OE1-CE 3.49Å; E56-M59 WeakPolarHBondContact OE2-CE 3.41Å; E56-E60 PolarHBondContact O-N 2.87Å; E56-E60 VanDerWaalsContact O-N 3.14Å; E56-R73 IonicContact OE1-CZ 3.47Å; E56-R73 IonicContact OE1-NE 3.1Å; E56-R73 PolarHBondContact OE1-NE 3.22Å; E56-R73 IonicContact OE1-NH2 3.1Å; E56-R73 IonicContact OE2-CZ 3.22Å; E56-R73 IonicContact OE2-NE 2.8Å; E56-R73 PolarHBondContact OE2-NE 2.8Å; E56-R73 IonicContact OE2-NH2 3.37Å; E56-R73 PolarHBondContact OE2-NH2 3.38Å
57	V	92.5	Very high	90.5	Very high	69 Å²	69	86.7 Å²	86.7	42%	0.418	44%	0.443	S	S	.	.	H	α-helix	trans	-61.3	-50.6	175.5	172.8	0	0	0	0	111.1	K53 K54 L55 M59 E60 E61	K53-V57 WeakPolarHBondContact O-CG2 3.5Å; K53-V57 PolarHBondContact O-N 3.07Å; K54-V57 PolarHBondContact O-N 2.98Å; L55-V57 PolarHBondContact O-N 3.5Å; V57-M59 VanDerWaalsContact C-N 3.32Å; V57-M59 PolarHBondContact O-N 3.39Å; V57-E60 WeakPolarHBondContact O-CB 3.18Å; V57-E60 PolarHBondContact O-N 2.84Å; V57-E61 HydrophobicContact CG1-CG 4.33Å; V57-E61 WeakPolarHBondContact CG1-OE1 3.24Å; V57-E61 WeakPolarHBondContact O-CG 3.07Å; V57-E61 PolarHBondContact O-N 2.79Å
58	A	89.9	Confident	90.8	Very high	32 Å²	32	86.5 Å²	86.5	26%	0.264	44%	0.442	S	S	.	.	H	α-helix	trans	-61.2	-38.9	-179.6	0	0	0	0	0	112.6	K54 L55 E60 E61 E62	K54-A58 WeakPolarHBondContact O-CB 3.39Å; K54-A58 PolarHBondContact O-N 3.46Å; L55-A58 PolarHBondContact O-N 2.95Å; A58-E60 VanDerWaalsContact C-N 3.28Å; A58-E60 PolarHBondContact O-N 3.34Å; A58-E61 PolarHBondContact O-N 3.14Å; A58-E62 WeakPolarHBondContact O-CB 3.36Å; A58-E62 VanDerWaalsContact O-CG 3.31Å; A58-E62 WeakPolarHBondContact O-CG 3.41Å; A58-E62 PolarHBondContact O-N 3.2Å
59	M	92.5	Very high	91	Very high	1 Å²	1	82.4 Å²	82.4	1%	0.005	43%	0.427	C	S	.	.	H	α-helix	trans	-67.1	-29.2	176.4	-72.1	-172	-53	0	0	113.2	L55 E56 V57 L64 K69 R72 R73	L55-M59 HydrophobicContact CD1-CG 4.22Å; L55-M59 HydrophobicContact CD1-SD 4.25Å; L55-M59 HydrophobicContact CD2-CE 4.4Å; L55-M59 HydrophobicContact CG-CE 3.98Å; L55-M59 HydrophobicContact CG-CG 4.4Å; L55-M59 HydrophobicContact CG-SD 4.13Å; L55-M59 WeakPolarHBondContact O-CB 3.42Å; L55-M59 VanDerWaalsContact O-CG 3.26Å; L55-M59 WeakPolarHBondContact O-CG 3.27Å; L55-M59 PolarHBondContact O-N 3.43Å; E56-M59 VanDerWaalsContact CD-CE 3.44Å; E56-M59 HydrophobicContact CG-CE 4.46Å; E56-M59 PolarHBondContact O-N 3.11Å; E56-M59 WeakPolarHBondContact OE1-CE 3.49Å; E56-M59 WeakPolarHBondContact OE2-CE 3.41Å; V57-M59 VanDerWaalsContact C-N 3.32Å; V57-M59 PolarHBondContact O-N 3.39Å; M59-L64 HydrophobicContact CB-CD1 4.17Å; M59-L64 HydrophobicContact CG-CD1 3.97Å; M59-L64 PolarHBondContact O-N 2.71Å; M59-K69 HydrophobicContact CB-CG 4.28Å; M59-K69 WeakPolarHBondContact O-CE 3.47Å; M59-K69 HydrophobicContact SD-CB 4.19Å; M59-K69 HydrophobicContact SD-CG 4.31Å; M59-R72 HydrophobicContact CG-CB 4.45Å; M59-R72 HydrophobicContact SD-CB 3.56Å; M59-R72 VanDerWaalsContact SD-CB 3.56Å; M59-R72 HydrophobicContact SD-CG 4.41Å; M59-R73 HydrophobicContact CE-CG 3.88Å; M59-R73 HydrophobicContact SD-CG 4.43Å
60	E	90.7	Very high	91.1	Very high	127 Å²	127	83.3 Å²	83.3	59%	0.593	43%	0.43	S	S	*	.	H	α-helix	trans	-76.7	-44.6	176.3	-165.6	61.7	-156.9	0	0	111.3	E56 V57 A58 E62 G63 K69	E56-E60 PolarHBondContact O-N 2.87Å; E56-E60 VanDerWaalsContact O-N 3.14Å; V57-E60 WeakPolarHBondContact O-CB 3.18Å; V57-E60 PolarHBondContact O-N 2.84Å; A58-E60 VanDerWaalsContact C-N 3.28Å; A58-E60 PolarHBondContact O-N 3.34Å; E60-E62 VanDerWaalsContact C-N 3.31Å; E60-E62 PolarHBondContact O-N 3.43Å; E60-G63 PolarHBondContact O-N 3.03Å; E60-K69 IonicContact OE2-NZ 2.69Å; E60-K69 PolarHBondContact OE2-NZ 3.3Å
61	E	92.2	Very high	91.2	Very high	159 Å²	159	84 Å²	84	74%	0.743	43%	0.43	S	S	*	.	H	α-helix	trans	-61.3	-38	176.1	-71.4	174.4	169.3	0	0	112.4	V57 A58 G63	V57-E61 HydrophobicContact CG1-CG 4.33Å; V57-E61 WeakPolarHBondContact CG1-OE1 3.24Å; V57-E61 WeakPolarHBondContact O-CG 3.07Å; V57-E61 PolarHBondContact O-N 2.79Å; A58-E61 PolarHBondContact O-N 3.14Å; E61-G63 PolarHBondContact O-N 3.43Å
62	E	91.3	Very high	91	Very high	101 Å²	101	85.4 Å²	85.4	47%	0.472	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-7.7	174.5	-72.2	178.8	-141.4	0	0	113.5	A58 E60 L64 R72	A58-E62 WeakPolarHBondContact O-CB 3.36Å; A58-E62 VanDerWaalsContact O-CG 3.31Å; A58-E62 WeakPolarHBondContact O-CG 3.41Å; A58-E62 PolarHBondContact O-N 3.2Å; E60-E62 VanDerWaalsContact C-N 3.31Å; E60-E62 PolarHBondContact O-N 3.43Å; E62-L64 VanDerWaalsContact C-N 3.3Å; E62-L64 HydrophobicContact CB-CD1 4.37Å; E62-L64 HydrophobicContact CB-CD2 4Å; E62-L64 HydrophobicContact CB-CG 3.81Å; E62-L64 PolarHBondContact O-N 3.32Å; E62-R72 VanDerWaalsContact CD-NH1 3.32Å; E62-R72 IonicContact OE1-CZ 3.64Å; E62-R72 IonicContact OE1-NH1 2.69Å; E62-R72 PolarHBondContact OE1-NH1 2.87Å; E62-R72 IonicContact OE1-NH2 3.53Å; E62-R72 IonicContact OE2-CZ 3.21Å; E62-R72 IonicContact OE2-NH1 2.71Å; E62-R72 PolarHBondContact OE2-NH1 3.3Å; E62-R72 VanDerWaalsContact OE2-NH1 3.1Å; E62-R72 IonicContact OE2-NH2 2.67Å; E62-R72 PolarHBondContact OE2-NH2 3.05Å
63	G	89.9	Confident	91.1	Very high	61 Å²	61	86.3 Å²	86.3	63%	0.629	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	62	32.7	178.4	0	0	0	0	0	114.1	E60 E61	E60-G63 PolarHBondContact O-N 3.03Å; E61-G63 PolarHBondContact O-N 3.43Å
64	L	90	Very high	91	Very high	33 Å²	33	82.7 Å²	82.7	17%	0.173	43%	0.429	C	S	.	.			trans	-67	145.7	-172.6	-60.6	178.2	0	0	0	112.5	M59 E62 E68 K69	M59-L64 HydrophobicContact CB-CD1 4.17Å; M59-L64 HydrophobicContact CG-CD1 3.97Å; M59-L64 PolarHBondContact O-N 2.71Å; E62-L64 VanDerWaalsContact C-N 3.3Å; E62-L64 HydrophobicContact CB-CD1 4.37Å; E62-L64 HydrophobicContact CB-CD2 4Å; E62-L64 HydrophobicContact CB-CG 3.81Å; E62-L64 PolarHBondContact O-N 3.32Å; L64-E68 HydrophobicContact CB-CB 4.35Å; L64-E68 HydrophobicContact CB-CG 4.41Å; L64-E68 HydrophobicContact CD1-CG 4.18Å; L64-E68 HydrophobicContact CD2-CG 4.22Å; L64-K69 HydrophobicContact CB-CG 3.93Å; L64-K69 WeakPolarHBondContact O-CE 3.43Å
65	A	92.3	Very high	90.9	Very high	72 Å²	72	79.4 Å²	79.4	60%	0.595	42%	0.416	S	S	*	.			trans	-66.9	155.8	172.3	0	0	0	0	0	111.9	E67 E68 K69	A65-E67 VanDerWaalsContact C-N 3.29Å; A65-E67 PolarHBondContact O-N 2.8Å; A65-E68 PolarHBondContact O-N 2.86Å; A65-K69 PolarHBondContact O-N 3.45Å
66	D	91.2	Very high	90.8	Very high	129 Å²	129	79.4 Å²	79.4	69%	0.69	42%	0.415	S	S	*	.	H	α-helix	trans	-57	-37.4	-174.2	-73.3	-25.1	0	0	0	114.2	K69 K70	D66-K69 PolarHBondContact O-N 2.65Å; D66-K70 WeakPolarHBondContact O-CB 3.43Å; D66-K70 PolarHBondContact O-N 2.56Å
67	E	91.6	Very high	90.6	Very high	137 Å²	137	79.1 Å²	79.1	64%	0.64	42%	0.423	S	S	*	.	H	α-helix	trans	-67.1	-38.5	176.5	-73.7	-58.5	148.7	0	0	112.3	A65 K70 L71	A65-E67 VanDerWaalsContact C-N 3.29Å; A65-E67 PolarHBondContact O-N 2.8Å; E67-K70 PolarHBondContact O-N 3.3Å; E67-L71 PolarHBondContact O-N 2.84Å
68	E	89.8	Confident	90.2	Very high	79 Å²	79	83.7 Å²	83.7	37%	0.369	43%	0.433	S	S	.	.	H	α-helix	trans	-70.5	-39.7	176.6	-171	59.7	-148.4	0	0	110.9	L64 A65 K70 L71 R72	L64-E68 HydrophobicContact CB-CB 4.35Å; L64-E68 HydrophobicContact CB-CG 4.41Å; L64-E68 HydrophobicContact CD1-CG 4.18Å; L64-E68 HydrophobicContact CD2-CG 4.22Å; A65-E68 PolarHBondContact O-N 2.86Å; E68-K70 VanDerWaalsContact C-N 3.31Å; E68-K70 PolarHBondContact O-N 2.82Å; E68-L71 PolarHBondContact O-N 3.46Å; E68-R72 PolarHBondContact O-N 3.18Å
69	K	90.6	Very high	90	Very high	24 Å²	24	86 Å²	86	10%	0.104	44%	0.436	C	S	.	.	H	α-helix	trans	-57	-45.6	171.8	-70.4	-175.9	173.1	172.9	0	110.8	M59 E60 L64 A65 D66 R72 R73	M59-K69 HydrophobicContact CB-CG 4.28Å; M59-K69 WeakPolarHBondContact O-CE 3.47Å; M59-K69 HydrophobicContact SD-CB 4.19Å; M59-K69 HydrophobicContact SD-CG 4.31Å; E60-K69 IonicContact OE2-NZ 2.69Å; E60-K69 PolarHBondContact OE2-NZ 3.3Å; L64-K69 HydrophobicContact CB-CG 3.93Å; L64-K69 WeakPolarHBondContact O-CE 3.43Å; A65-K69 PolarHBondContact O-N 3.45Å; D66-K69 PolarHBondContact O-N 2.65Å; K69-R72 PolarHBondContact O-N 3.13Å; K69-R73 WeakPolarHBondContact O-CG 3.42Å; K69-R73 PolarHBondContact O-N 3.34Å
70	K	92.4	Very high	89.7	Confident	129 Å²	129	86.1 Å²	86.1	56%	0.561	44%	0.437	S	S	*	.	H	α-helix	trans	-62.9	-42.3	177.4	-172.4	-179.8	178.1	-174.8	0	112.2	D66 E67 E68 S74	D66-K70 WeakPolarHBondContact O-CB 3.43Å; D66-K70 PolarHBondContact O-N 2.56Å; E67-K70 PolarHBondContact O-N 3.3Å; E68-K70 VanDerWaalsContact C-N 3.31Å; E68-K70 PolarHBondContact O-N 2.82Å; K70-S74 WeakPolarHBondContact O-CB 3.43Å; K70-S74 PolarHBondContact O-N 3.41Å
71	L	91.1	Very high	89.5	Confident	82 Å²	82	84.3 Å²	84.3	43%	0.429	44%	0.435	S	S	.	.	H	α-helix	trans	-61.9	-49	175.9	-179.3	61.4	0	0	0	111.5	E67 E68 R73 S74 Q75	E67-L71 PolarHBondContact O-N 2.84Å; E68-L71 PolarHBondContact O-N 3.46Å; L71-R73 PolarHBondContact O-N 2.95Å; L71-S74 WeakPolarHBondContact O-CB 3.46Å; L71-S74 PolarHBondContact O-N 2.73Å; L71-Q75 WeakPolarHBondContact O-CG 3.39Å; L71-Q75 PolarHBondContact O-N 3.23Å
72	R	87.6	Confident	89	Confident	73 Å²	73	79.4 Å²	79.4	28%	0.275	41%	0.412	S	S	.	.	H	α-helix	trans	-60.6	-43.2	177.8	-79.2	-148	-176.9	171.8	7.7	112.7	M59 E62 E68 K69 S74 Q75 H76	M59-R72 HydrophobicContact CG-CB 4.45Å; M59-R72 HydrophobicContact SD-CB 3.56Å; M59-R72 VanDerWaalsContact SD-CB 3.56Å; M59-R72 HydrophobicContact SD-CG 4.41Å; E62-R72 VanDerWaalsContact CD-NH1 3.32Å; E62-R72 IonicContact OE1-CZ 3.64Å; E62-R72 IonicContact OE1-NH1 2.69Å; E62-R72 PolarHBondContact OE1-NH1 2.87Å; E62-R72 IonicContact OE1-NH2 3.53Å; E62-R72 IonicContact OE2-CZ 3.21Å; E62-R72 IonicContact OE2-NH1 2.71Å; E62-R72 PolarHBondContact OE2-NH1 3.3Å; E62-R72 VanDerWaalsContact OE2-NH1 3.1Å; E62-R72 IonicContact OE2-NH2 2.67Å; E62-R72 PolarHBondContact OE2-NH2 3.05Å; E68-R72 PolarHBondContact O-N 3.18Å; K69-R72 PolarHBondContact O-N 3.13Å; R72-S74 VanDerWaalsContact C-N 3.34Å; R72-S74 PolarHBondContact O-N 3.11Å; R72-Q75 PolarHBondContact O-N 3.2Å; R72-H76 WeakPolarHBondContact O-CB 3.3Å; R72-H76 PolarHBondContact O-N 2.81Å
73	R	92.3	Very high	88.5	Confident	111 Å²	111	74.8 Å²	74.8	42%	0.419	39%	0.391	S	S	.	.	H	α-helix	trans	-59.3	-43.7	173.8	-72.5	175.2	-175.2	139.1	2	112	E56 M59 K69 L71 H76 A77	E56-R73 IonicContact OE1-CZ 3.47Å; E56-R73 IonicContact OE1-NE 3.1Å; E56-R73 PolarHBondContact OE1-NE 3.22Å; E56-R73 IonicContact OE1-NH2 3.1Å; E56-R73 IonicContact OE2-CZ 3.22Å; E56-R73 IonicContact OE2-NE 2.8Å; E56-R73 PolarHBondContact OE2-NE 2.8Å; E56-R73 IonicContact OE2-NH2 3.37Å; E56-R73 PolarHBondContact OE2-NH2 3.38Å; M59-R73 HydrophobicContact CE-CG 3.88Å; M59-R73 HydrophobicContact SD-CG 4.43Å; K69-R73 WeakPolarHBondContact O-CG 3.42Å; K69-R73 PolarHBondContact O-N 3.34Å; L71-R73 PolarHBondContact O-N 2.95Å; R73-H76 PolarHBondContact O-N 3.46Å; R73-A77 WeakPolarHBondContact O-CB 3.45Å; R73-A77 PolarHBondContact O-N 3.5Å
74	S	90.8	Very high	88.2	Confident	78 Å²	78	75.1 Å²	75.1	55%	0.545	38%	0.378	S	S	.	.	H	α-helix	trans	-62.1	-45.5	177.1	-174.7	0	0	0	0	112	K70 L71 R72 H76 A77 R78	K70-S74 WeakPolarHBondContact O-CB 3.43Å; K70-S74 PolarHBondContact O-N 3.41Å; L71-S74 WeakPolarHBondContact O-CB 3.46Å; L71-S74 PolarHBondContact O-N 2.73Å; R72-S74 VanDerWaalsContact C-N 3.34Å; R72-S74 PolarHBondContact O-N 3.11Å; S74-H76 VanDerWaalsContact C-N 3.33Å; S74-H76 PolarHBondContact O-N 3.45Å; S74-A77 PolarHBondContact O-N 3.3Å; S74-R78 PolarHBondContact O-N 3.03Å
75	Q	87.7	Confident	87.8	Confident	82 Å²	82	79.4 Å²	79.4	38%	0.383	39%	0.391	S	S	.	.	H	α-helix	trans	-61.5	-41.1	175.5	-68.9	178.7	7.8	0	0	112	L71 R72 R78 K79	L71-Q75 WeakPolarHBondContact O-CG 3.39Å; L71-Q75 PolarHBondContact O-N 3.23Å; R72-Q75 PolarHBondContact O-N 3.2Å; Q75-R78 PolarHBondContact O-N 3.12Å; Q75-K79 WeakPolarHBondContact O-CG 3.39Å; Q75-K79 PolarHBondContact O-N 3.44Å
76	H	87.4	Confident	87.1	Confident	31 Å²	31	77.2 Å²	77.2	14%	0.144	37%	0.37	C	S	.	.	H	α-helix	trans	-63.8	-46	175.8	-175.9	-90.5	0	0	0	112.1	L55 R72 R73 S74 R78 K79 E80	L55-H76 HydrophobicContact CD2-CB 3.46Å; L55-H76 VanDerWaalsContact CD2-CB 3.46Å; R72-H76 WeakPolarHBondContact O-CB 3.3Å; R72-H76 PolarHBondContact O-N 2.81Å; R73-H76 PolarHBondContact O-N 3.46Å; S74-H76 VanDerWaalsContact C-N 3.33Å; S74-H76 PolarHBondContact O-N 3.45Å; H76-R78 VanDerWaalsContact C-N 3.27Å; H76-R78 PolarHBondContact O-N 2.93Å; H76-K79 WeakPolarHBondContact O-CB 3.43Å; H76-K79 PolarHBondContact O-N 3.21Å; H76-K79 VanDerWaalsContact O-N 3.12Å; H76-E80 IonicContact CE1-OE1 2.73Å; H76-E80 PolarHBondContact O-N 3.03Å
77	A	88	Confident	86.4	Confident	52 Å²	52	73.9 Å²	73.9	43%	0.43	35%	0.349	S	S	.	.	H	α-helix	trans	-60.3	-37.4	176.3	0	0	0	0	0	112.2	R73 S74 E80 T81	R73-A77 WeakPolarHBondContact O-CB 3.45Å; R73-A77 PolarHBondContact O-N 3.5Å; S74-A77 PolarHBondContact O-N 3.3Å; A77-E80 PolarHBondContact O-N 3.01Å; A77-T81 PolarHBondContact O-N 3.39Å; A77-T81 PolarHBondContact O-OG1 2.71Å
78	R	85.9	Confident	85.8	Confident	165 Å²	165	76.6 Å²	76.6	62%	0.623	35%	0.353	S	S	*	.	H	α-helix	trans	-62.9	-47.8	172.8	-171.7	175.6	70.3	172.9	1	111.4	S74 Q75 H76 E80 T81 E82	S74-R78 PolarHBondContact O-N 3.03Å; Q75-R78 PolarHBondContact O-N 3.12Å; H76-R78 VanDerWaalsContact C-N 3.27Å; H76-R78 PolarHBondContact O-N 2.93Å; R78-E80 PolarHBondContact O-N 3.38Å; R78-T81 PolarHBondContact O-N 3.48Å; R78-E82 WeakPolarHBondContact O-CG 3.47Å; R78-E82 PolarHBondContact O-N 3.01Å
79	K	84	Confident	85.3	Confident	79 Å²	79	76 Å²	76	34%	0.343	36%	0.355	S	S	.	.	H	α-helix	trans	-58.8	-44	176.7	-72.2	179.2	-177.7	-178.6	0	112	Q75 H76 T81 E82 F83 F452 T456	Q75-K79 WeakPolarHBondContact O-CG 3.39Å; Q75-K79 PolarHBondContact O-N 3.44Å; H76-K79 WeakPolarHBondContact O-CB 3.43Å; H76-K79 PolarHBondContact O-N 3.21Å; H76-K79 VanDerWaalsContact O-N 3.12Å; K79-T81 PolarHBondContact O-N 3.48Å; K79-E82 PolarHBondContact O-N 3.44Å; K79-F83 PolarHBondContact O-N 2.92Å; K79-F452 HydrophobicContact CB-CZ 3.92Å; K79-T456 HydrophobicContact CD-CG2 4.02Å
80	E	86.9	Confident	84.8	Confident	4 Å²	4	85.6 Å²	85.6	2%	0.019	39%	0.391	C	S	.	.	H	α-helix	trans	-60.5	-43	175.6	-77	-67.8	169.4	0	0	112.3	R48 R51 H76 A77 R78 E82 F83 L84 F452	R48-E80 IonicContact NE-OE2 3.32Å; R51-E80 IonicContact CZ-OE1 2.87Å; R51-E80 IonicContact NE-OE1 2.75Å; R51-E80 PolarHBondContact NE-OE1 2.88Å; R51-E80 IonicContact NH2-OE1 2.54Å; R51-E80 PolarHBondContact NH2-OE1 3.29Å; R51-E80 VanDerWaalsContact NH2-OE1 3.12Å; R51-E80 IonicContact NH2-OE2 2.59Å; R51-E80 PolarHBondContact NH2-OE2 3.47Å; H76-E80 IonicContact CE1-OE1 2.73Å; H76-E80 PolarHBondContact O-N 3.03Å; A77-E80 PolarHBondContact O-N 3.01Å; R78-E80 PolarHBondContact O-N 3.38Å; E80-E82 PolarHBondContact O-N 3.06Å; E80-F83 WeakPolarHBondContact O-CB 3.45Å; E80-F83 PolarHBondContact O-N 2.66Å; E80-L84 WeakPolarHBondContact O-CG 3.4Å; E80-L84 PolarHBondContact O-N 3.21Å; E80-F452 HydrophobicContact CG-CE2 4.26Å; E80-F452 HydrophobicContact CG-CZ 4.26Å
81	T	86.1	Confident	84.4	Confident	90 Å²	90	80.2 Å²	80.2	55%	0.552	37%	0.368	S	S	*	.	H	α-helix	trans	-63.1	-43.9	176.6	-57.2	0	0	0	0	111.6	A77 R78 K79 F83 L84 R85	A77-T81 PolarHBondContact O-N 3.39Å; A77-T81 PolarHBondContact O-OG1 2.71Å; R78-T81 PolarHBondContact O-N 3.48Å; K79-T81 PolarHBondContact O-N 3.48Å; T81-F83 VanDerWaalsContact C-N 3.31Å; T81-F83 PolarHBondContact O-N 2.98Å; T81-L84 PolarHBondContact O-N 2.77Å; T81-R85 PolarHBondContact O-N 3.13Å; T81-R85 VanDerWaalsContact O-N 3.1Å
82	E	82.6	Confident	84.2	Confident	56 Å²	56	77.4 Å²	77.4	26%	0.262	36%	0.359	S	S	.	.	H	α-helix	trans	-64.4	-36.1	175.8	-69.6	-171.5	133.3	0	0	112.1	R78 K79 E80 R85 L86 L455	R78-E82 WeakPolarHBondContact O-CG 3.47Å; R78-E82 PolarHBondContact O-N 3.01Å; K79-E82 PolarHBondContact O-N 3.44Å; E80-E82 PolarHBondContact O-N 3.06Å; E82-R85 WeakPolarHBondContact O-CB 3.45Å; E82-R85 PolarHBondContact O-N 3.46Å; E82-R85 IonicContact OE1-NH2 3.82Å; E82-L86 PolarHBondContact O-N 3.4Å; E82-L455 HydrophobicContact CB-CD2 4.08Å
83	F	81.3	Confident	84.3	Confident	4 Å²	4	76.1 Å²	76.1	2%	0.018	36%	0.357	C	S	.	.	H	α-helix	trans	-62.9	-46.2	174.7	-168.9	-136.6	0	0	0	112.7	K79 E80 T81 R85 L86 K87 K450 F452 L455	K79-F83 PolarHBondContact O-N 2.92Å; E80-F83 WeakPolarHBondContact O-CB 3.45Å; E80-F83 PolarHBondContact O-N 2.66Å; T81-F83 VanDerWaalsContact C-N 3.31Å; T81-F83 PolarHBondContact O-N 2.98Å; F83-R85 PolarHBondContact O-N 2.75Å; F83-L86 CarbonylContact O-C 3.57Å; F83-L86 PolarHBondContact O-N 3.03Å; F83-L86 VanDerWaalsContact O-N 3.12Å; F83-K87 HydrophobicContact CD1-CD 4.26Å; F83-K87 HydrophobicContact CE1-CD 4Å; F83-K87 VanDerWaalsContact CE1-NZ 3.3Å; F83-K87 HydrophobicContact CE2-CG 4.36Å; F83-K87 HydrophobicContact CZ-CD 4.22Å; F83-K87 HydrophobicContact CZ-CG 4.4Å; F83-K87 PolarHBondContact O-N 2.93Å; F83-K450 WeakPolarHBondContact CE2-O 3.43Å; F83-K450 WeakPolarHBondContact CZ-O 3.49Å; F83-F452 HydrophobicContact CB-CD2 3.79Å; F83-F452 HydrophobicContact CB-CE2 3.77Å; F83-F452 AromaticContact CD1-CD2 3.47Å; F83-F452 HydrophobicContact CD1-CD2 3.47Å; F83-F452 VanDerWaalsContact CD1-CD2 3.47Å; F83-F452 HydrophobicContact CD1-CE2 4.04Å; F83-F452 AromaticContact CD2-CD2 3.95Å; F83-F452 HydrophobicContact CD2-CD2 3.95Å; F83-F452 HydrophobicContact CE1-CB 4.35Å; F83-F452 AromaticContact CE1-CD2 3.83Å; F83-F452 HydrophobicContact CE1-CD2 3.83Å; F83-F452 HydrophobicContact CE2-CB 4.22Å; F83-F452 HydrophobicContact CE2-CD2 4.31Å; F83-F452 AromaticContact CG-CD2 3.48Å; F83-F452 HydrophobicContact CG-CD2 3.48Å; F83-F452 VanDerWaalsContact CG-CD2 3.48Å; F83-F452 AromaticContact CG-CE2 3.98Å; F83-F452 HydrophobicContact CG-CE2 3.98Å; F83-F452 HydrophobicContact CZ-CB 4.06Å; F83-F452 HydrophobicContact CZ-CD2 4.23Å; F83-L455 VanDerWaalsContact CA-CD1 3.47Å; F83-L455 HydrophobicContact CB-CD1 3.38Å; F83-L455 HydrophobicContact CD2-CD1 3.67Å; F83-L455 HydrophobicContact CD2-CG 4.33Å; F83-L455 HydrophobicContact CG-CD1 3.88Å
84	L	82	Confident	84.3	Confident	68 Å²	68	77.4 Å²	77.4	36%	0.356	37%	0.372	S	S	.	.	H	α-helix	trans	-62.7	-32.1	176.7	-68.8	172.9	0	0	0	111.4	E80 T81 R88	E80-L84 WeakPolarHBondContact O-CG 3.4Å; E80-L84 PolarHBondContact O-N 3.21Å; T81-L84 PolarHBondContact O-N 2.77Å; L84-R88 WeakPolarHBondContact O-CG 3.47Å; L84-R88 PolarHBondContact O-N 2.81Å; L84-R88 PolarHBondContact O-NE 3.26Å; L84-R88 VanDerWaalsContact O-NE 3.07Å
85	R	81.8	Confident	84.3	Confident	123 Å²	123	76.2 Å²	76.2	46%	0.464	36%	0.36	S	S	.	.	H	α-helix	trans	-67.7	-49.5	170.2	-171.5	178.7	66.1	-166.4	-6.2	111.2	T81 E82 F83 K87 R88 T89	T81-R85 PolarHBondContact O-N 3.13Å; T81-R85 VanDerWaalsContact O-N 3.1Å; E82-R85 WeakPolarHBondContact O-CB 3.45Å; E82-R85 PolarHBondContact O-N 3.46Å; E82-R85 IonicContact OE1-NH2 3.82Å; F83-R85 PolarHBondContact O-N 2.75Å; R85-K87 VanDerWaalsContact C-N 3.29Å; R85-K87 PolarHBondContact O-N 2.98Å; R85-R88 WeakPolarHBondContact O-CB 3.49Å; R85-R88 PolarHBondContact O-N 3.41Å; R85-T89 PolarHBondContact O-N 2.77Å; R85-T89 VanDerWaalsContact O-N 3.13Å; R85-T89 PolarHBondContact O-OG1 3.29Å
86	L	78.5	Confident	84.6	Confident	26 Å²	26	72.8 Å²	72.8	14%	0.136	34%	0.344	C	S	.	.	H	α-helix	trans	-58.2	-40.6	178.6	178.7	65	0	0	0	111.7	E82 F83 R88 T89 Y161 K450 L455	E82-L86 PolarHBondContact O-N 3.4Å; F83-L86 CarbonylContact O-C 3.57Å; F83-L86 PolarHBondContact O-N 3.03Å; F83-L86 VanDerWaalsContact O-N 3.12Å; L86-R88 VanDerWaalsContact C-N 3.29Å; L86-R88 PolarHBondContact O-N 3.2Å; L86-T89 PolarHBondContact O-N 2.78Å; L86-Y161 HydrophobicContact CD2-CE1 4.31Å; L86-K450 HydrophobicContact CG-CD 4.02Å; L86-K450 PolarHBondContact O-NZ 2.93Å; L86-L455 HydrophobicContact CB-CD2 3.95Å; L86-L455 HydrophobicContact CD2-CD2 3.71Å; L86-L455 HydrophobicContact CD2-CG 4.06Å; L86-L455 HydrophobicContact CG-CD2 4.43Å
87	K	76.4	Confident	85	Confident	58 Å²	58	76.1 Å²	76.1	25%	0.252	36%	0.359	S	S	.	.	H	α-helix	trans	-58.9	-38.7	175.6	-83.9	-173.6	166.2	171.5	0	112.4	Q44 F83 R85 K450	Q44-K87 VanDerWaalsContact CD-NZ 3.33Å; Q44-K87 VanDerWaalsContact CG-NZ 3.29Å; F83-K87 HydrophobicContact CD1-CD 4.26Å; F83-K87 HydrophobicContact CE1-CD 4Å; F83-K87 VanDerWaalsContact CE1-NZ 3.3Å; F83-K87 HydrophobicContact CE2-CG 4.36Å; F83-K87 HydrophobicContact CZ-CD 4.22Å; F83-K87 HydrophobicContact CZ-CG 4.4Å; F83-K87 PolarHBondContact O-N 2.93Å; R85-K87 VanDerWaalsContact C-N 3.29Å; R85-K87 PolarHBondContact O-N 2.98Å; K87-K450 PolarHBondContact O-NZ 2.92Å
88	R	79.1	Confident	85.3	Confident	194 Å²	194	75.9 Å²	75.9	73%	0.732	36%	0.355	S	S	*	.	H	α-helix	trans	-71.7	-29.4	176.3	-70.6	179	-76.3	168.5	-3.8	113.6	L84 R85 L86	L84-R88 WeakPolarHBondContact O-CG 3.47Å; L84-R88 PolarHBondContact O-N 2.81Å; L84-R88 PolarHBondContact O-NE 3.26Å; L84-R88 VanDerWaalsContact O-NE 3.07Å; R85-R88 WeakPolarHBondContact O-CB 3.49Å; R85-R88 PolarHBondContact O-N 3.41Å; L86-R88 VanDerWaalsContact C-N 3.29Å; L86-R88 PolarHBondContact O-N 3.2Å
89	T	78.8	Confident	85.6	Confident	68 Å²	68	71.3 Å²	71.3	42%	0.417	34%	0.342	S	S	.	.	S	Bend	trans	-68.9	129.1	176.9	-54.9	0	0	0	0	110.8	R85 L86 L91 K450	R85-T89 PolarHBondContact O-N 2.77Å; R85-T89 VanDerWaalsContact O-N 3.13Å; R85-T89 PolarHBondContact O-OG1 3.29Å; L86-T89 PolarHBondContact O-N 2.78Å; T89-L91 PolarHBondContact O-N 3.06Å; T89-K450 PolarHBondContact O-NZ 3.28Å
90	R	80.1	Confident	86	Confident	225 Å²	225	70.3 Å²	70.3	85%	0.849	34%	0.338	S	S	*	.			trans	-80.6	106.3	172.7	-171.3	175.8	179.2	178.3	-0.8	108.9
91	L	83.1	Confident	86.3	Confident	15 Å²	15	70.5 Å²	70.5	8%	0.079	34%	0.339	C	S	.	.			trans	-70.2	138.3	171	-81.4	165.7	0	0	0	109.2	T89 D95 F96 Y161 F163 K450	T89-L91 PolarHBondContact O-N 3.06Å; L91-D95 VanDerWaalsContact CA-OD2 3.3Å; L91-D95 WeakPolarHBondContact CA-OD2 3.26Å; L91-D95 HydrophobicContact CD2-CB 4.19Å; L91-F96 HydrophobicContact CD2-CE2 4.36Å; L91-Y161 HydrophobicContact CD1-CD1 3.72Å; L91-Y161 HydrophobicContact CD1-CD2 4.5Å; L91-Y161 HydrophobicContact CD1-CE1 4.25Å; L91-Y161 HydrophobicContact CD1-CG 3.88Å; L91-F163 HydrophobicContact CB-CD1 4.48Å; L91-K450 HydrophobicContact CD1-CD 3.93Å; L91-K450 HydrophobicContact CD1-CG 4.12Å
92	G	88.2	Confident	86.5	Confident	23 Å²	23	66.8 Å²	66.8	24%	0.237	32%	0.316	C	S	.	.			trans	-145	180	175.5	0	0	0	0	0	112	D94 D95 F96	G92-D94 PolarHBondContact O-N 3.06Å; G92-D95 PolarHBondContact N-OD2 2.69Å; G92-D95 WeakPolarHBondContact O-CB 3.3Å; G92-D95 PolarHBondContact O-N 2.99Å; G92-F96 WeakPolarHBondContact O-CD2 3.28Å
93	L	90.1	Very high	86.6	Confident	47 Å²	47	64.8 Å²	64.8	25%	0.246	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-60.3	-34.3	180	-174.9	64.6	0	0	0	112.1	D95 F96 M124 Y170 L426	L93-D95 PolarHBondContact O-N 2.76Å; L93-D95 VanDerWaalsContact O-N 3.14Å; L93-F96 PolarHBondContact O-N 2.97Å; L93-F96 VanDerWaalsContact O-O 3.14Å; L93-M124 HydrophobicContact CD1-CE 3.68Å; L93-M124 HydrophobicContact CD1-SD 3.95Å; L93-Y170 HydrophobicContact CD1-CD1 4.4Å; L93-Y170 HydrophobicContact CD1-CE1 3.88Å; L93-L426 HydrophobicContact CD1-CD1 4.46Å; L93-L426 HydrophobicContact CD1-CD2 4.23Å; L93-L426 HydrophobicContact CD2-CD2 3.87Å
94	D	91.6	Very high	86.6	Confident	137 Å²	137	68.8 Å²	68.8	73%	0.733	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-64.2	-17.8	-179.6	-63.1	-35.1	0	0	0	113.9	G92 F96 K116	G92-D94 PolarHBondContact O-N 3.06Å; D94-F96 PolarHBondContact O-N 2.96Å; D94-K116 WeakPolarHBondContact O-CD 3.27Å; D94-K116 VanDerWaalsContact O-CE 3.29Å; D94-K116 WeakPolarHBondContact O-CE 3.36Å; D94-K116 PolarHBondContact O-NZ 3.36Å
95	D	90.9	Very high	86.1	Confident	53 Å²	53	67.7 Å²	67.7	28%	0.283	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-76.7	-9.3	175.4	-63.5	-58.6	0	0	0	113	L91 G92 L93 K116	L91-D95 VanDerWaalsContact CA-OD2 3.3Å; L91-D95 WeakPolarHBondContact CA-OD2 3.26Å; L91-D95 HydrophobicContact CD2-CB 4.19Å; G92-D95 PolarHBondContact N-OD2 2.69Å; G92-D95 WeakPolarHBondContact O-CB 3.3Å; G92-D95 PolarHBondContact O-N 2.99Å; L93-D95 PolarHBondContact O-N 2.76Å; L93-D95 VanDerWaalsContact O-N 3.14Å; D95-K116 PolarHBondContact O-N 2.98Å
96	F	94.3	Very high	85.4	Confident	11 Å²	11	62.8 Å²	62.8	5%	0.048	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	143.9	-176.5	-60.5	-90	0	0	0	110.9	L91 G92 L93 D94 V113 Q114 K115 Y122 Y161 F163 I172	L91-F96 HydrophobicContact CD2-CE2 4.36Å; G92-F96 WeakPolarHBondContact O-CD2 3.28Å; L93-F96 PolarHBondContact O-N 2.97Å; L93-F96 VanDerWaalsContact O-O 3.14Å; D94-F96 PolarHBondContact O-N 2.96Å; F96-V113 HydrophobicContact CB-CB 4.36Å; F96-V113 HydrophobicContact CB-CG2 4.46Å; F96-V113 HydrophobicContact CD1-CG2 3.88Å; F96-V113 HydrophobicContact CG-CG2 4.48Å; F96-Q114 CarbonylContact C-O 3.58Å; F96-Q114 WeakPolarHBondContact CA-O 3.34Å; F96-K115 HydrophobicContact CD1-CB 3.95Å; F96-K115 HydrophobicContact CD1-CG 4.11Å; F96-K115 HydrophobicContact CE1-CB 3.84Å; F96-K115 HydrophobicContact CE1-CD 4.28Å; F96-K115 HydrophobicContact CE1-CG 3.76Å; F96-K115 HydrophobicContact CZ-CG 4.22Å; F96-Y122 HydrophobicContact CE1-CD2 4.15Å; F96-Y122 HydrophobicContact CE1-CE2 4.48Å; F96-Y161 HydrophobicContact CZ-CD2 4.11Å; F96-Y161 HydrophobicContact CZ-CE2 4.46Å; F96-F163 HydrophobicContact CD2-CE1 4.3Å; F96-F163 HydrophobicContact CD2-CZ 4.18Å; F96-F163 AromaticContact CE2-CE1 3.73Å; F96-F163 HydrophobicContact CE2-CE1 3.73Å; F96-F163 HydrophobicContact CE2-CZ 4.07Å; F96-F163 HydrophobicContact CZ-CE1 4.46Å; F96-I172 HydrophobicContact CD1-CD1 4.43Å; F96-I172 HydrophobicContact CE1-CD1 4.1Å; F96-I172 HydrophobicContact CE1-CG1 4.24Å; F96-I172 HydrophobicContact CE1-CG2 4.09Å; F96-I172 HydrophobicContact CE2-CD1 4.27Å; F96-I172 HydrophobicContact CE2-CG1 4.33Å; F96-I172 HydrophobicContact CZ-CD1 4.03Å; F96-I172 HydrophobicContact CZ-CG1 3.86Å; F96-I172 HydrophobicContact CZ-CG2 4.37Å
97	E	94.9	Very high	85.1	Confident	100 Å²	100	63.6 Å²	63.6	47%	0.467	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	125.2	170.5	-177.3	171.8	-179.8	0	0	108.7	L99 V113 Q114 K116	E97-L99 HydrophobicContact CG-CD2 4.36Å; E97-V113 CarbonylContact O-C 3.49Å; E97-V113 WeakPolarHBondContact O-CA 3.41Å; E97-V113 WeakPolarHBondContact O-CB 3.27Å; E97-Q114 PolarHBondContact N-O 2.89Å; E97-Q114 PolarHBondContact O-N 2.79Å; E97-K116 HydrophobicContact CB-CG 4.43Å
98	S	94.5	Very high	85.3	Confident	47 Å²	47	61.6 Å²	61.6	33%	0.329	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	121.3	177.9	172.1	0	0	0	0	109.8	R111	S98-R111 VanDerWaalsContact OG-CD 3.28Å; S98-R111 WeakPolarHBondContact OG-CD 3.32Å; S98-R111 PolarHBondContact OG-NH1 3.26Å
99	L	93	Very high	85.7	Confident	69 Å²	69	52.6 Å²	52.6	36%	0.361	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	-54.1	-179.2	-57.8	-178.4	0	0	0	112.1	E97 L112 Q114 I121	E97-L99 HydrophobicContact CG-CD2 4.36Å; L99-L112 HydrophobicContact CB-CB 4.45Å; L99-L112 HydrophobicContact CB-CD2 4.36Å; L99-L112 HydrophobicContact CB-CG 4.44Å; L99-L112 WeakPolarHBondContact CB-O 3.48Å; L99-L112 HydrophobicContact CD1-CD2 4.12Å; L99-L112 HydrophobicContact CD1-CG 4.24Å; L99-L112 PolarHBondContact N-O 2.72Å; L99-Q114 HydrophobicContact CD1-CB 4.16Å; L99-Q114 HydrophobicContact CD2-CB 4.45Å; L99-Q114 HydrophobicContact CG-CB 4.39Å; L99-I121 HydrophobicContact CD1-CD1 3.75Å
100	K	92.8	Very high	86.3	Confident	59 Å²	59	51 Å²	51	26%	0.257	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	146.8	-175.8	-169	178.4	176.3	-178.7	0	111.4	R111 L112 T414 D419	K100-R111 CarbonylContact O-C 3.6Å; K100-R111 VanDerWaalsContact O-CA 3.26Å; K100-R111 WeakPolarHBondContact O-CA 3.28Å; K100-L112 HydrophobicContact CB-CB 4.49Å; K100-L112 PolarHBondContact N-O 3.35Å; K100-L112 PolarHBondContact O-N 3.06Å; K100-T414 HydrophobicContact CD-CG2 4.11Å; K100-T414 VanDerWaalsContact CD-OG1 3.27Å; K100-T414 WeakPolarHBondContact CD-OG1 3.42Å; K100-T414 PolarHBondContact NZ-OG1 3.33Å; K100-T414 VanDerWaalsContact NZ-OG1 3.11Å; K100-D419 VanDerWaalsContact CE-OD1 3.3Å; K100-D419 WeakPolarHBondContact CE-OD1 3.4Å; K100-D419 IonicContact NZ-OD1 2.98Å; K100-D419 PolarHBondContact NZ-OD1 3.22Å
101	V	92.4	Very high	87	Confident	8 Å²	8	41 Å²	41	5%	0.048	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	120.9	166.8	-176.5	0	0	0	0	108.5	R104 R111 F420	V101-R104 HydrophobicContact CG1-CG 4.4Å; V101-R111 HydrophobicContact CG2-CG 4.25Å; V101-F420 HydrophobicContact CB-CB 4.07Å; V101-F420 HydrophobicContact CG1-CB 3.76Å; V101-F420 HydrophobicContact CG1-CD2 4.49Å; V101-F420 HydrophobicContact CG1-CG 4.23Å
102	I	90.2	Very high	87.6	Confident	11 Å²	11	40.4 Å²	40.4	6%	0.056	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	-8.4	-176.2	60	172.8	0	0	0	113.2	V110 L112 A123 F175 T414 F417 F420	I102-V110 HydrophobicContact CD1-CG1 3.96Å; I102-V110 HydrophobicContact CG1-CB 4.2Å; I102-V110 HydrophobicContact CG1-CG1 3.84Å; I102-V110 WeakPolarHBondContact CG1-O 3.47Å; I102-V110 PolarHBondContact N-O 3.14Å; I102-L112 HydrophobicContact CD1-CB 4.49Å; I102-L112 HydrophobicContact CG2-CB 3.94Å; I102-A123 HydrophobicContact CD1-CB 4.28Å; I102-F175 HydrophobicContact CD1-CD2 3.95Å; I102-F175 HydrophobicContact CD1-CE2 3.85Å; I102-T414 HydrophobicContact CG2-CG2 3.72Å; I102-F417 HydrophobicContact CB-CD1 3.93Å; I102-F417 HydrophobicContact CB-CE1 4.34Å; I102-F417 HydrophobicContact CB-CG 4.19Å; I102-F417 HydrophobicContact CD1-CE1 4.37Å; I102-F417 HydrophobicContact CG2-CG 4.49Å; I102-F417 WeakPolarHBondContact O-CD1 3.32Å; I102-F420 WeakPolarHBondContact O-CE2 3.23Å
103	G	85.2	Confident	88	Confident	14 Å²	14	39.3 Å²	39.3	14%	0.144	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.9	153.8	175.8	0	0	0	0	0	112.5	E109 V110	G103-E109 WeakPolarHBondContact O-CA 3.47Å; G103-E109 WeakPolarHBondContact O-CB 3.21Å; G103-V110 PolarHBondContact N-O 3.44Å; G103-V110 VanDerWaalsContact N-O 3.14Å; G103-V110 PolarHBondContact O-N 3.48Å
104	R	80.9	Confident	88.2	Confident	88 Å²	88	40.1 Å²	40.1	33%	0.332	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	132.2	171.2	-72	-173.7	178.7	-163.6	-2	109.6	V101 E109 Y287 F420 P421 E422	V101-R104 HydrophobicContact CG1-CG 4.4Å; R104-E109 HydrophobicContact CG-CB 4.24Å; R104-Y287 HydrophobicContact CB-CD1 4.41Å; R104-Y287 VanDerWaalsContact O-CD1 3.28Å; R104-Y287 WeakPolarHBondContact O-CD1 3.42Å; R104-F420 HydrophobicContact CB-CD1 4.26Å; R104-F420 HydrophobicContact CB-CE1 4.14Å; R104-F420 HydrophobicContact CG-CD1 3.8Å; R104-F420 HydrophobicContact CG-CE1 4.18Å; R104-F420 HydrophobicContact CG-CG 4.39Å; R104-P421 PolarHBondContact NH2-O 3.36Å; R104-E422 PolarHBondContact NH2-O 3.07Å; R104-E422 VanDerWaalsContact NH2-O 3.09Å
105	G	71.5	Confident	88.2	Confident	45 Å²	45	34.1 Å²	34.1	46%	0.464	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	173.6	175.7	0	0	0	0	0	111.7	F107 G108	G105-F107 PolarHBondContact O-N 2.69Å; G105-G108 PolarHBondContact N-O 2.8Å; G105-G108 VanDerWaalsContact O-O 3.05Å
106	A	67.7	Low	88.3	Confident	21 Å²	21	37.5 Å²	37.5	17%	0.174	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-12.4	178	0	0	0	0	0	114.5	T289	A106-T289 HydrophobicContact CB-CG2 4.05Å
107	F	71.3	Confident	87.9	Confident	43 Å²	43	41.4 Å²	41.4	19%	0.189	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.3	4.7	-169.1	-57.2	-76.9	0	0	0	113.5	G105 L127 R128 M132 K135 Q137	G105-F107 PolarHBondContact O-N 2.69Å; F107-L127 HydrophobicContact CB-CD2 4.17Å; F107-R128 PolarHBondContact O-N 3.16Å; F107-M132 HydrophobicContact CB-CE 3.42Å; F107-M132 VanDerWaalsContact CB-CE 3.42Å; F107-M132 HydrophobicContact CD1-CE 3.18Å; F107-M132 HydrophobicContact CD2-CE 4.39Å; F107-M132 HydrophobicContact CE1-CE 3.93Å; F107-M132 HydrophobicContact CG-CE 3.44Å; F107-M132 VanDerWaalsContact CG-CE 3.44Å; F107-K135 HydrophobicContact CD1-CD 3.89Å; F107-K135 HydrophobicContact CE1-CB 4.33Å; F107-K135 HydrophobicContact CE1-CD 3.36Å; F107-K135 HydrophobicContact CE1-CG 4.49Å; F107-K135 HydrophobicContact CZ-CD 4.43Å; F107-Q137 HydrophobicContact CE1-CG 3.92Å; F107-Q137 HydrophobicContact CZ-CG 4.17Å
108	G	80.6	Confident	87.4	Confident	15 Å²	15	38.7 Å²	38.7	16%	0.155	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	164.7	-162.2	-167.1	0	0	0	0	0	113.8	G105 I126	G105-G108 PolarHBondContact N-O 2.8Å; G105-G108 VanDerWaalsContact O-O 3.05Å; G108-I126 WeakPolarHBondContact CA-O 3.42Å
109	E	88.1	Confident	87.1	Confident	6 Å²	6	38 Å²	38	3%	0.028	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	162.7	179.8	68.6	-171.7	-140.5	0	0	111.7	G103 R104 R111 I126 S423 I425	G103-E109 WeakPolarHBondContact O-CA 3.47Å; G103-E109 WeakPolarHBondContact O-CB 3.21Å; R104-E109 HydrophobicContact CG-CB 4.24Å; E109-R111 HydrophobicContact CG-CG 4.49Å; E109-R111 IonicContact OE1-CZ 2.9Å; E109-R111 IonicContact OE1-NE 2.82Å; E109-R111 PolarHBondContact OE1-NE 2.68Å; E109-R111 IonicContact OE1-NH2 2.66Å; E109-R111 PolarHBondContact OE1-NH2 3.01Å; E109-I126 HydrophobicContact CG-CD1 4.06Å; E109-I126 PolarHBondContact N-O 3.09Å; E109-I126 VanDerWaalsContact N-O 3.12Å; E109-I126 PolarHBondContact O-N 3.47Å; E109-S423 WeakPolarHBondContact OE2-CB 3.17Å; E109-S423 PolarHBondContact OE2-OG 2.91Å; E109-I425 HydrophobicContact CG-CD1 4.13Å; E109-I425 HydrophobicContact CG-CG2 3.87Å; E109-I425 WeakPolarHBondContact OE1-CG2 3.4Å
110	V	91.5	Very high	86.9	Confident	35 Å²	35	37 Å²	37	21%	0.212	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	128.2	178	-171.6	0	0	0	0	108.2	I102 G103 A123 M124 K125	I102-V110 HydrophobicContact CD1-CG1 3.96Å; I102-V110 HydrophobicContact CG1-CB 4.2Å; I102-V110 HydrophobicContact CG1-CG1 3.84Å; I102-V110 WeakPolarHBondContact CG1-O 3.47Å; I102-V110 PolarHBondContact N-O 3.14Å; G103-V110 PolarHBondContact N-O 3.44Å; G103-V110 VanDerWaalsContact N-O 3.14Å; G103-V110 PolarHBondContact O-N 3.48Å; V110-A123 HydrophobicContact CG1-CB 4.23Å; V110-M124 CarbonylContact C-O 3.51Å; V110-M124 WeakPolarHBondContact CA-O 3.46Å; V110-K125 HydrophobicContact CG2-CB 4.29Å; V110-K125 HydrophobicContact CG2-CG 4.16Å
111	R	94.4	Very high	86.9	Confident	13 Å²	13	34.9 Å²	34.9	5%	0.049	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	141.9	178.3	-60.3	-164.4	179.4	-152	-4.6	111.3	S98 K100 V101 E109 V113 A123 M124 I126 S423 L426	S98-R111 VanDerWaalsContact OG-CD 3.28Å; S98-R111 WeakPolarHBondContact OG-CD 3.32Å; S98-R111 PolarHBondContact OG-NH1 3.26Å; K100-R111 CarbonylContact O-C 3.6Å; K100-R111 VanDerWaalsContact O-CA 3.26Å; K100-R111 WeakPolarHBondContact O-CA 3.28Å; V101-R111 HydrophobicContact CG2-CG 4.25Å; E109-R111 HydrophobicContact CG-CG 4.49Å; E109-R111 IonicContact OE1-CZ 2.9Å; E109-R111 IonicContact OE1-NE 2.82Å; E109-R111 PolarHBondContact OE1-NE 2.68Å; E109-R111 IonicContact OE1-NH2 2.66Å; E109-R111 PolarHBondContact OE1-NH2 3.01Å; R111-V113 HydrophobicContact CB-CG1 4.04Å; R111-A123 CarbonylContact O-C 3.48Å; R111-A123 WeakPolarHBondContact O-CA 3.47Å; R111-M124 PolarHBondContact N-O 3.04Å; R111-M124 PolarHBondContact O-N 3.09Å; R111-I126 HydrophobicContact CG-CD1 4.02Å; R111-S423 PolarHBondContact NH2-O 3.06Å; R111-S423 VanDerWaalsContact NH2-O 3.11Å; R111-L426 VanDerWaalsContact CZ-CD1 3.47Å; R111-L426 VanDerWaalsContact NH1-CD1 3.31Å
112	L	95.5	Very high	87	Confident	3 Å²	3	34.6 Å²	34.6	2%	0.016	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	126.3	159.6	-170	70.1	0	0	0	108.2	L99 K100 I102 I121 F175 D412 T414	L99-L112 HydrophobicContact CB-CB 4.45Å; L99-L112 HydrophobicContact CB-CD2 4.36Å; L99-L112 HydrophobicContact CB-CG 4.44Å; L99-L112 WeakPolarHBondContact CB-O 3.48Å; L99-L112 HydrophobicContact CD1-CD2 4.12Å; L99-L112 HydrophobicContact CD1-CG 4.24Å; L99-L112 PolarHBondContact N-O 2.72Å; K100-L112 HydrophobicContact CB-CB 4.49Å; K100-L112 PolarHBondContact N-O 3.35Å; K100-L112 PolarHBondContact O-N 3.06Å; I102-L112 HydrophobicContact CD1-CB 4.49Å; I102-L112 HydrophobicContact CG2-CB 3.94Å; L112-I121 HydrophobicContact CD1-CG2 3.32Å; L112-I121 HydrophobicContact CG-CG2 4.01Å; L112-F175 HydrophobicContact CD1-CB 4.07Å; L112-F175 HydrophobicContact CD1-CD1 3.58Å; L112-F175 HydrophobicContact CD1-CD2 3.5Å; L112-F175 VanDerWaalsContact CD1-CD2 3.5Å; L112-F175 HydrophobicContact CD1-CE1 3.79Å; L112-F175 HydrophobicContact CD1-CE2 3.73Å; L112-F175 HydrophobicContact CD1-CG 3.42Å; L112-F175 VanDerWaalsContact CD1-CG 3.42Å; L112-F175 HydrophobicContact CD1-CZ 3.87Å; L112-D412 HydrophobicContact CD2-CB 3.96Å; L112-T414 HydrophobicContact CD2-CG2 3.79Å
113	V	95.8	Very high	87.3	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	151.2	-179	-55.9	0	0	0	0	111.4	F96 E97 R111 I121 Y122 M124	F96-V113 HydrophobicContact CB-CB 4.36Å; F96-V113 HydrophobicContact CB-CG2 4.46Å; F96-V113 HydrophobicContact CD1-CG2 3.88Å; F96-V113 HydrophobicContact CG-CG2 4.48Å; E97-V113 CarbonylContact O-C 3.49Å; E97-V113 WeakPolarHBondContact O-CA 3.41Å; E97-V113 WeakPolarHBondContact O-CB 3.27Å; R111-V113 HydrophobicContact CB-CG1 4.04Å; V113-I121 CarbonylContact O-C 3.56Å; V113-I121 WeakPolarHBondContact O-CA 3.4Å; V113-Y122 PolarHBondContact N-O 3.49Å; V113-Y122 PolarHBondContact O-N 2.95Å; V113-M124 HydrophobicContact CB-CB 4.42Å; V113-M124 HydrophobicContact CG1-CB 3.63Å; V113-M124 HydrophobicContact CG1-CE 3.64Å; V113-M124 HydrophobicContact CG1-CG 4.46Å; V113-M124 HydrophobicContact CG1-SD 4.13Å; V113-M124 HydrophobicContact CG2-CB 3.83Å
114	Q	94.8	Very high	87.7	Confident	65 Å²	65	33.9 Å²	33.9	30%	0.304	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	129.2	171.3	-170.5	172.4	43.2	0	0	109.9	F96 E97 L99 K116 G119 H120 I121	F96-Q114 CarbonylContact C-O 3.58Å; F96-Q114 WeakPolarHBondContact CA-O 3.34Å; E97-Q114 PolarHBondContact N-O 2.89Å; E97-Q114 PolarHBondContact O-N 2.79Å; L99-Q114 HydrophobicContact CD1-CB 4.16Å; L99-Q114 HydrophobicContact CD2-CB 4.45Å; L99-Q114 HydrophobicContact CG-CB 4.39Å; Q114-K116 PolarHBondContact O-N 3.1Å; Q114-G119 WeakPolarHBondContact CG-O 3.3Å; Q114-G119 PolarHBondContact NE2-O 3Å; Q114-H120 WeakPolarHBondContact CA-O 3.13Å; Q114-I121 HydrophobicContact CB-CD1 3.95Å; Q114-I121 HydrophobicContact CG-CD1 4Å
115	K	92.6	Very high	88.2	Confident	10 Å²	10	30.8 Å²	30.8	4%	0.043	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	124.1	173.9	-165.4	-171.3	-170.6	-60.6	0	109.7	F96 D117 T118 G119 H120 Y122	F96-K115 HydrophobicContact CD1-CB 3.95Å; F96-K115 HydrophobicContact CD1-CG 4.11Å; F96-K115 HydrophobicContact CE1-CB 3.84Å; F96-K115 HydrophobicContact CE1-CD 4.28Å; F96-K115 HydrophobicContact CE1-CG 3.76Å; F96-K115 HydrophobicContact CZ-CG 4.22Å; K115-D117 VanDerWaalsContact CD-OD1 3.31Å; K115-D117 WeakPolarHBondContact CD-OD1 3.15Å; K115-D117 WeakPolarHBondContact CE-OD1 3.04Å; K115-D117 VanDerWaalsContact CG-OD1 3.28Å; K115-D117 WeakPolarHBondContact CG-OD1 3.22Å; K115-D117 IonicContact NZ-OD1 2.7Å; K115-D117 PolarHBondContact NZ-OD1 2.78Å; K115-D117 IonicContact NZ-OD2 2.78Å; K115-D117 PolarHBondContact NZ-OD2 3.45Å; K115-D117 PolarHBondContact O-N 2.64Å; K115-T118 HydrophobicContact CD-CG2 4.46Å; K115-T118 PolarHBondContact O-N 3.25Å; K115-G119 WeakPolarHBondContact O-CA 3.05Å; K115-G119 PolarHBondContact O-N 3.42Å; K115-H120 PolarHBondContact N-O 3.28Å; K115-Y122 HydrophobicContact CB-CD2 4.16Å; K115-Y122 HydrophobicContact CB-CE2 3.72Å; K115-Y122 HydrophobicContact CD-CE2 4.24Å
116	K	91.8	Very high	89.2	Confident	125 Å²	125	28.6 Å²	28.6	54%	0.543	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-35.4	-166.7	-67.8	179.5	-177.3	167.4	0	114.9	D94 D95 E97 Q114	D94-K116 WeakPolarHBondContact O-CD 3.27Å; D94-K116 VanDerWaalsContact O-CE 3.29Å; D94-K116 WeakPolarHBondContact O-CE 3.36Å; D94-K116 PolarHBondContact O-NZ 3.36Å; D95-K116 PolarHBondContact O-N 2.98Å; E97-K116 HydrophobicContact CB-CG 4.43Å; Q114-K116 PolarHBondContact O-N 3.1Å
117	D	85.4	Confident	90.1	Very high	92 Å²	92	28.1 Å²	28.1	49%	0.492	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-23.3	-177.1	68.5	-28.7	0	0	0	113.8	K115 R458	K115-D117 VanDerWaalsContact CD-OD1 3.31Å; K115-D117 WeakPolarHBondContact CD-OD1 3.15Å; K115-D117 WeakPolarHBondContact CE-OD1 3.04Å; K115-D117 VanDerWaalsContact CG-OD1 3.28Å; K115-D117 WeakPolarHBondContact CG-OD1 3.22Å; K115-D117 IonicContact NZ-OD1 2.7Å; K115-D117 PolarHBondContact NZ-OD1 2.78Å; K115-D117 IonicContact NZ-OD2 2.78Å; K115-D117 PolarHBondContact NZ-OD2 3.45Å; K115-D117 PolarHBondContact O-N 2.64Å; D117-R458 IonicContact OD2-NH2 3.75Å
118	T	85.3	Confident	90.7	Very high	44 Å²	44	31 Å²	31	27%	0.27	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.3	-18.9	-177.8	62.6	0	0	0	0	113.9	K115 H120 R458	K115-T118 HydrophobicContact CD-CG2 4.46Å; K115-T118 PolarHBondContact O-N 3.25Å; T118-H120 PolarHBondContact O-N 2.88Å; T118-H120 WeakPolarHBondContact OG1-CB 3.39Å; T118-H120 PolarHBondContact OG1-N 3.38Å; T118-R458 HydrophobicContact CG2-CG 3.76Å
119	G	87.6	Confident	91	Very high	31 Å²	31	30.8 Å²	30.8	32%	0.32	16%	0.155	S	C	.	.			trans	69	7.8	-170.9	0	0	0	0	0	114.1	Q114 K115	Q114-G119 WeakPolarHBondContact CG-O 3.3Å; Q114-G119 PolarHBondContact NE2-O 3Å; K115-G119 WeakPolarHBondContact O-CA 3.05Å; K115-G119 PolarHBondContact O-N 3.42Å
120	H	89.1	Confident	90.7	Very high	50 Å²	50	32 Å²	32	23%	0.231	17%	0.166	C	C	.	.			trans	-76.8	142.4	-176.4	-159.1	84.1	0	0	0	111.5	Q114 K115 T118 Y122 Q457	Q114-H120 WeakPolarHBondContact CA-O 3.13Å; K115-H120 PolarHBondContact N-O 3.28Å; T118-H120 PolarHBondContact O-N 2.88Å; T118-H120 WeakPolarHBondContact OG1-CB 3.39Å; T118-H120 PolarHBondContact OG1-N 3.38Å; H120-Y122 HydrophobicContact CB-CE2 3.75Å; H120-Y122 AromaticContact CD2-CE1 3.59Å; H120-Y122 AromaticContact CD2-CE2 3.77Å; H120-Y122 AromaticContact CD2-CZ 3.35Å; H120-Y122 PolarHBondContact CD2-OH 3.46Å; H120-Y122 AromaticContact CG-CZ 3.94Å; H120-Y122 WeakPolarHBondContact O-CD2 3.44Å; H120-Q457 PolarHBondContact CD2-OE1 3.14Å; H120-Q457 VanDerWaalsContact CD2-OE1 3.3Å; H120-Q457 PolarHBondContact NE2-NE2 3.27Å; H120-Q457 PolarHBondContact NE2-OE1 3.46Å
121	I	93.6	Very high	90.1	Very high	14 Å²	14	31.9 Å²	31.9	7%	0.072	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	136.2	-177.3	-59	-61.2	0	0	0	110.2	L99 L112 V113 Q114 F175 I411 D412	L99-I121 HydrophobicContact CD1-CD1 3.75Å; L112-I121 HydrophobicContact CD1-CG2 3.32Å; L112-I121 HydrophobicContact CG-CG2 4.01Å; V113-I121 CarbonylContact O-C 3.56Å; V113-I121 WeakPolarHBondContact O-CA 3.4Å; Q114-I121 HydrophobicContact CB-CD1 3.95Å; Q114-I121 HydrophobicContact CG-CD1 4Å; I121-F175 HydrophobicContact CG2-CB 4.14Å; I121-F175 HydrophobicContact CG2-CD1 3.97Å; I121-F175 HydrophobicContact CG2-CG 4.28Å; I121-I411 HydrophobicContact CG1-CD1 4.03Å; I121-I411 HydrophobicContact CG1-CG1 4.31Å; I121-D412 HydrophobicContact CD1-CB 4.3Å; I121-D412 HydrophobicContact CG1-CB 4.41Å
122	Y	95	Very high	89.4	Confident	1 Å²	1	31.5 Å²	31.5	0%	0.004	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	160	178.5	-60.3	-81.5	0	0	0	111.1	F96 V113 K115 H120 F160 Y161 I172 M173 Q457	F96-Y122 HydrophobicContact CE1-CD2 4.15Å; F96-Y122 HydrophobicContact CE1-CE2 4.48Å; V113-Y122 PolarHBondContact N-O 3.49Å; V113-Y122 PolarHBondContact O-N 2.95Å; K115-Y122 HydrophobicContact CB-CD2 4.16Å; K115-Y122 HydrophobicContact CB-CE2 3.72Å; K115-Y122 HydrophobicContact CD-CE2 4.24Å; H120-Y122 HydrophobicContact CB-CE2 3.75Å; H120-Y122 AromaticContact CD2-CE1 3.59Å; H120-Y122 AromaticContact CD2-CE2 3.77Å; H120-Y122 AromaticContact CD2-CZ 3.35Å; H120-Y122 PolarHBondContact CD2-OH 3.46Å; H120-Y122 AromaticContact CG-CZ 3.94Å; H120-Y122 WeakPolarHBondContact O-CD2 3.44Å; Y122-F160 AromaticContact CD1-CD2 3.75Å; Y122-F160 HydrophobicContact CD1-CD2 3.75Å; Y122-F160 HydrophobicContact CD1-CE2 4.21Å; Y122-F160 HydrophobicContact CD1-CG 4.48Å; Y122-F160 HydrophobicContact CE1-CB 4.37Å; Y122-F160 AromaticContact CE1-CD2 3.56Å; Y122-F160 HydrophobicContact CE1-CD2 3.56Å; Y122-F160 AromaticContact CE1-CE2 3.97Å; Y122-F160 HydrophobicContact CE1-CE2 3.97Å; Y122-F160 AromaticContact CE1-CG 3.94Å; Y122-F160 HydrophobicContact CE1-CG 3.94Å; Y122-Y161 HydrophobicContact CE1-CE2 4.41Å; Y122-I172 HydrophobicContact CD1-CG2 3.65Å; Y122-I172 HydrophobicContact CD2-CG2 4.13Å; Y122-I172 HydrophobicContact CE1-CG2 4.38Å; Y122-I172 HydrophobicContact CG-CG2 3.5Å; Y122-M173 WeakPolarHBondContact CA-O 3.34Å; Y122-M173 WeakPolarHBondContact CB-O 3.32Å; Y122-Q457 VanDerWaalsContact CZ-OE1 3.29Å; Y122-Q457 PolarHBondContact OH-OE1 3.03Å
123	A	95.1	Very high	88.5	Confident	8 Å²	8	33 Å²	33	7%	0.066	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	127.2	160.7	0	0	0	0	0	109.2	I102 V110 R111 M173	I102-A123 HydrophobicContact CD1-CB 4.28Å; V110-A123 HydrophobicContact CG1-CB 4.23Å; R111-A123 CarbonylContact O-C 3.48Å; R111-A123 WeakPolarHBondContact O-CA 3.47Å; A123-M173 PolarHBondContact N-O 2.71Å; A123-M173 PolarHBondContact O-N 2.68Å
124	M	94.4	Very high	87.5	Confident	2 Å²	2	40.3 Å²	40.3	1%	0.01	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	110.8	177	179.2	169.1	76.2	0	0	110	L93 V110 R111 V113 I126 Y170 L171 I172 L426	L93-M124 HydrophobicContact CD1-CE 3.68Å; L93-M124 HydrophobicContact CD1-SD 3.95Å; V110-M124 CarbonylContact C-O 3.51Å; V110-M124 WeakPolarHBondContact CA-O 3.46Å; R111-M124 PolarHBondContact N-O 3.04Å; R111-M124 PolarHBondContact O-N 3.09Å; V113-M124 HydrophobicContact CB-CB 4.42Å; V113-M124 HydrophobicContact CG1-CB 3.63Å; V113-M124 HydrophobicContact CG1-CE 3.64Å; V113-M124 HydrophobicContact CG1-CG 4.46Å; V113-M124 HydrophobicContact CG1-SD 4.13Å; V113-M124 HydrophobicContact CG2-CB 3.83Å; M124-I126 HydrophobicContact CE-CD1 3.84Å; M124-I126 HydrophobicContact CE-CG1 4.02Å; M124-I126 HydrophobicContact CG-CG1 4.05Å; M124-Y170 HydrophobicContact CG-CD1 4.32Å; M124-Y170 HydrophobicContact SD-CD1 3.93Å; M124-L171 CarbonylContact C-O 3.57Å; M124-L171 VanDerWaalsContact CA-O 3.32Å; M124-L171 WeakPolarHBondContact CA-O 3.38Å; M124-I172 HydrophobicContact CB-CD1 3.81Å; M124-I172 HydrophobicContact CG-CD1 3.61Å; M124-I172 HydrophobicContact SD-CD1 3.81Å; M124-L426 HydrophobicContact CE-CD1 4.36Å
125	K	91.8	Very high	86.4	Confident	23 Å²	23	40.5 Å²	40.5	10%	0.1	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	124.3	171.1	-173.1	172.2	-176.6	-178.3	0	108.9	V110 L127 E144 Y170 L171 M173 D237	V110-K125 HydrophobicContact CG2-CB 4.29Å; V110-K125 HydrophobicContact CG2-CG 4.16Å; K125-L127 HydrophobicContact CG-CD2 4.36Å; K125-L127 HydrophobicContact CG-CG 4.42Å; K125-E144 IonicContact NZ-OE1 2.85Å; K125-E144 PolarHBondContact NZ-OE1 2.58Å; K125-E144 IonicContact NZ-OE2 3.35Å; K125-Y170 WeakPolarHBondContact O-CA 3.12Å; K125-L171 HydrophobicContact CB-CB 4.33Å; K125-L171 HydrophobicContact CB-CD1 4.27Å; K125-L171 HydrophobicContact CD-CD1 4.4Å; K125-L171 HydrophobicContact CG-CD1 4.37Å; K125-L171 PolarHBondContact N-O 2.98Å; K125-L171 PolarHBondContact O-N 3.25Å; K125-M173 HydrophobicContact CB-CE 3.72Å; K125-M173 HydrophobicContact CD-CE 4.4Å; K125-D237 IonicContact NZ-OD1 3.54Å; K125-D237 PolarHBondContact NZ-OD1 3.41Å
126	I	91.1	Very high	85.4	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	121.9	-177.5	-51.4	160	0	0	0	107.6	G108 E109 R111 M124 N168 L169 Y170 I425 L426	G108-I126 WeakPolarHBondContact CA-O 3.42Å; E109-I126 HydrophobicContact CG-CD1 4.06Å; E109-I126 PolarHBondContact N-O 3.09Å; E109-I126 VanDerWaalsContact N-O 3.12Å; E109-I126 PolarHBondContact O-N 3.47Å; R111-I126 HydrophobicContact CG-CD1 4.02Å; M124-I126 HydrophobicContact CE-CD1 3.84Å; M124-I126 HydrophobicContact CE-CG1 4.02Å; M124-I126 HydrophobicContact CG-CG1 4.05Å; I126-N168 HydrophobicContact CG2-CB 3.99Å; I126-L169 WeakPolarHBondContact CA-O 3.32Å; I126-Y170 HydrophobicContact CG1-CD1 4.03Å; I126-Y170 HydrophobicContact CG1-CE1 4.12Å; I126-Y170 HydrophobicContact CG2-CD1 4.24Å; I126-Y170 HydrophobicContact CG2-CE1 3.86Å; I126-I425 HydrophobicContact CB-CD1 4.38Å; I126-I425 HydrophobicContact CD1-CG2 4Å; I126-I425 HydrophobicContact CG2-CD1 3.97Å; I126-I425 HydrophobicContact CG2-CG1 4.27Å; I126-L426 HydrophobicContact CD1-CD1 4.34Å; I126-L426 HydrophobicContact CD1-CD2 3.73Å; I126-L426 HydrophobicContact CD1-CG 4.12Å
127	L	87.1	Confident	84.4	Confident	10 Å²	10	42.1 Å²	42.1	5%	0.052	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	131.2	-179.6	-59.2	169.9	0	0	0	110.5	F107 K125 K129 I141 N168 L169 L171	F107-L127 HydrophobicContact CB-CD2 4.17Å; K125-L127 HydrophobicContact CG-CD2 4.36Å; K125-L127 HydrophobicContact CG-CG 4.42Å; L127-K129 PolarHBondContact O-N 2.79Å; L127-I141 HydrophobicContact CD1-CG1 4.46Å; L127-N168 CarbonylContact O-C 3.56Å; L127-N168 VanDerWaalsContact O-CA 3.27Å; L127-N168 WeakPolarHBondContact O-CA 3.45Å; L127-L169 HydrophobicContact CB-CB 4.28Å; L127-L169 PolarHBondContact N-O 3.04Å; L127-L169 PolarHBondContact O-N 3.11Å; L127-L171 HydrophobicContact CD1-CD1 3.88Å
128	R	85.2	Confident	83.8	Confident	105 Å²	105	38.9 Å²	38.9	40%	0.396	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	122.2	-179.9	-64	179	-177.8	-179.1	-0.8	110.9	F107 A130 D131 M132 I425	F107-R128 PolarHBondContact O-N 3.16Å; R128-A130 VanDerWaalsContact C-N 3.27Å; R128-A130 PolarHBondContact O-N 2.9Å; R128-D131 HydrophobicContact CB-CB 4.2Å; R128-D131 PolarHBondContact O-N 3.27Å; R128-M132 VanDerWaalsContact O-CG 3.27Å; R128-M132 WeakPolarHBondContact O-CG 3.05Å; R128-M132 PolarHBondContact O-N 3.47Å; R128-I425 HydrophobicContact CG-CD1 4.04Å; R128-I425 HydrophobicContact CG-CG1 4.29Å
129	K	85.4	Confident	83	Confident	9 Å²	9	39.8 Å²	39.8	4%	0.039	21%	0.21	C	C	.	.	H	α-helix	trans	-58.1	-37.7	179.1	-74	-179.6	167	-173.5	0	112.9	L127 M132 L133 Q164 D165 R167 L169 D441 F444	L127-K129 PolarHBondContact O-N 2.79Å; K129-M132 PolarHBondContact O-N 2.7Å; K129-L133 WeakPolarHBondContact O-CG 2.95Å; K129-L133 PolarHBondContact O-N 3.1Å; K129-Q164 VanDerWaalsContact CE-OE1 3.25Å; K129-D165 VanDerWaalsContact CE-O 3.3Å; K129-D165 WeakPolarHBondContact CE-O 3.43Å; K129-D165 PolarHBondContact NZ-O 3.45Å; K129-R167 VanDerWaalsContact CB-O 3.27Å; K129-R167 WeakPolarHBondContact CB-O 3.46Å; K129-R167 WeakPolarHBondContact CG-O 3.47Å; K129-R167 PolarHBondContact N-O 3.3Å; K129-L169 HydrophobicContact CD-CD2 4.44Å; K129-L169 HydrophobicContact CG-CD2 4.07Å; K129-L169 HydrophobicContact CG-CG 3.99Å; K129-D441 IonicContact NZ-OD1 3.52Å; K129-D441 PolarHBondContact NZ-OD1 3.28Å; K129-D441 IonicContact NZ-OD2 3.95Å; K129-F444 HydrophobicContact CB-CE2 4.07Å; K129-F444 HydrophobicContact CB-CZ 4.34Å; K129-F444 HydrophobicContact CD-CD2 4.06Å; K129-F444 HydrophobicContact CD-CE2 4.02Å; K129-F444 HydrophobicContact CG-CD2 4.24Å; K129-F444 HydrophobicContact CG-CE2 3.84Å; K129-F444 HydrophobicContact CG-CZ 4.2Å
130	A	82.4	Confident	82.2	Confident	32 Å²	32	39.1 Å²	39.1	26%	0.264	20%	0.198	S	C	.	.	H	α-helix	trans	-58.1	-51.2	178	0	0	0	0	0	111.1	R128 M132 L133 E134	R128-A130 VanDerWaalsContact C-N 3.27Å; R128-A130 PolarHBondContact O-N 2.9Å; A130-M132 VanDerWaalsContact C-N 3.26Å; A130-M132 PolarHBondContact O-N 2.63Å; A130-L133 PolarHBondContact O-N 2.7Å; A130-E134 WeakPolarHBondContact O-CB 3.27Å; A130-E134 PolarHBondContact O-N 2.75Å
131	D	79.2	Confident	81.5	Confident	32 Å²	32	37 Å²	37	17%	0.171	19%	0.189	C	C	.	.	H	α-helix	trans	-62.1	-34.7	179.1	-59.9	9.4	0	0	0	112	R128 K135	R128-D131 HydrophobicContact CB-CB 4.2Å; R128-D131 PolarHBondContact O-N 3.27Å; D131-K135 VanDerWaalsContact O-CB 3.29Å; D131-K135 WeakPolarHBondContact O-CB 3.35Å; D131-K135 WeakPolarHBondContact O-CG 3.12Å; D131-K135 PolarHBondContact O-N 2.71Å; D131-K135 VanDerWaalsContact O-N 3.14Å
132	M	79.4	Confident	80.5	Confident	5 Å²	5	41.5 Å²	41.5	3%	0.025	21%	0.205	C	C	.	.	H	α-helix	trans	-68.7	-38.8	177.6	-61.9	-64.8	89.4	0	0	112.9	F107 R128 K129 A130 E136 Q137 I141 F444	F107-M132 HydrophobicContact CB-CE 3.42Å; F107-M132 VanDerWaalsContact CB-CE 3.42Å; F107-M132 HydrophobicContact CD1-CE 3.18Å; F107-M132 HydrophobicContact CD2-CE 4.39Å; F107-M132 HydrophobicContact CE1-CE 3.93Å; F107-M132 HydrophobicContact CG-CE 3.44Å; F107-M132 VanDerWaalsContact CG-CE 3.44Å; R128-M132 VanDerWaalsContact O-CG 3.27Å; R128-M132 WeakPolarHBondContact O-CG 3.05Å; R128-M132 PolarHBondContact O-N 3.47Å; K129-M132 PolarHBondContact O-N 2.7Å; A130-M132 VanDerWaalsContact C-N 3.26Å; A130-M132 PolarHBondContact O-N 2.63Å; M132-E136 PolarHBondContact O-N 3.36Å; M132-Q137 HydrophobicContact CE-CB 4.1Å; M132-Q137 HydrophobicContact CE-CG 4.3Å; M132-Q137 PolarHBondContact O-N 2.88Å; M132-Q137 HydrophobicContact SD-CB 3.93Å; M132-I141 HydrophobicContact CB-CD1 3.73Å; M132-I141 HydrophobicContact CG-CD1 3.34Å; M132-I141 HydrophobicContact CG-CG1 4.42Å; M132-I141 HydrophobicContact SD-CD1 3.21Å; M132-I141 WeakPolarHBondContact SD-CD1 3.44Å; M132-I141 HydrophobicContact SD-CG1 3.66Å; M132-F444 HydrophobicContact CB-CZ 4.26Å
133	L	76.5	Confident	79.3	Confident	35 Å²	35	42.2 Å²	42.2	18%	0.183	21%	0.21	C	C	.	.	H	α-helix	trans	-74.5	-47.1	177.2	-71.9	171.4	0	0	0	111.4	K129 A130 K135 E136 V138 Y437 K440 V443 F444	K129-L133 WeakPolarHBondContact O-CG 2.95Å; K129-L133 PolarHBondContact O-N 3.1Å; A130-L133 PolarHBondContact O-N 2.7Å; L133-K135 VanDerWaalsContact C-N 3.26Å; L133-K135 PolarHBondContact O-N 3.14Å; L133-E136 PolarHBondContact O-N 3.48Å; L133-V138 HydrophobicContact CD2-CG2 4.03Å; L133-Y437 HydrophobicContact CD1-CD1 3.85Å; L133-Y437 HydrophobicContact CD1-CE1 4.12Å; L133-K440 HydrophobicContact CD1-CB 4.18Å; L133-K440 HydrophobicContact CD2-CB 4.31Å; L133-K440 HydrophobicContact CD2-CD 4.39Å; L133-V443 HydrophobicContact CD2-CG2 3.89Å; L133-F444 HydrophobicContact CD1-CE2 4.42Å; L133-F444 HydrophobicContact CD2-CE2 4.4Å; L133-F444 HydrophobicContact CD2-CZ 4.31Å; L133-F444 HydrophobicContact CG-CE2 4.3Å; L133-F444 HydrophobicContact CG-CZ 4.2Å
134	E	74.9	Confident	78.5	Confident	153 Å²	153	42.1 Å²	42.1	72%	0.715	21%	0.209	S	C	*	.	H	α-helix	trans	-61.1	-37.2	-178	-172.8	-174	172.5	0	0	111.8	A130	A130-E134 WeakPolarHBondContact O-CB 3.27Å; A130-E134 PolarHBondContact O-N 2.75Å
135	K	70.9	Confident	77.6	Confident	69 Å²	69	43.7 Å²	43.7	30%	0.3	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	8.9	-177.4	-58.9	172.3	-178.1	170.8	0	113.3	F107 D131 L133 Q137	F107-K135 HydrophobicContact CD1-CD 3.89Å; F107-K135 HydrophobicContact CE1-CB 4.33Å; F107-K135 HydrophobicContact CE1-CD 3.36Å; F107-K135 HydrophobicContact CE1-CG 4.49Å; F107-K135 HydrophobicContact CZ-CD 4.43Å; D131-K135 VanDerWaalsContact O-CB 3.29Å; D131-K135 WeakPolarHBondContact O-CB 3.35Å; D131-K135 WeakPolarHBondContact O-CG 3.12Å; D131-K135 PolarHBondContact O-N 2.71Å; D131-K135 VanDerWaalsContact O-N 3.14Å; L133-K135 VanDerWaalsContact C-N 3.26Å; L133-K135 PolarHBondContact O-N 3.14Å; K135-Q137 VanDerWaalsContact C-N 3.31Å; K135-Q137 HydrophobicContact CB-CG 3.85Å; K135-Q137 WeakPolarHBondContact O-CG 3.41Å; K135-Q137 PolarHBondContact O-N 2.82Å; K135-Q137 PolarHBondContact O-NE2 2.83Å
136	E	71.8	Confident	76.9	Confident	161 Å²	161	45.3 Å²	45.3	75%	0.752	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.3	37.7	178.4	-58.1	-178.2	168.3	0	0	114.2	M132 L133	M132-E136 PolarHBondContact O-N 3.36Å; L133-E136 PolarHBondContact O-N 3.48Å
137	Q	71.4	Confident	76.3	Confident	9 Å²	9	45.3 Å²	45.3	4%	0.042	22%	0.224	C	C	.	.			trans	-93.8	9.2	-174	-57.2	-64.4	-75.2	0	0	113.7	F107 M132 K135 A139 H140 I141	F107-Q137 HydrophobicContact CE1-CG 3.92Å; F107-Q137 HydrophobicContact CZ-CG 4.17Å; M132-Q137 HydrophobicContact CE-CB 4.1Å; M132-Q137 HydrophobicContact CE-CG 4.3Å; M132-Q137 PolarHBondContact O-N 2.88Å; M132-Q137 HydrophobicContact SD-CB 3.93Å; K135-Q137 VanDerWaalsContact C-N 3.31Å; K135-Q137 HydrophobicContact CB-CG 3.85Å; K135-Q137 WeakPolarHBondContact O-CG 3.41Å; K135-Q137 PolarHBondContact O-N 2.82Å; K135-Q137 PolarHBondContact O-NE2 2.83Å; Q137-A139 VanDerWaalsContact C-N 3.34Å; Q137-A139 PolarHBondContact O-N 2.85Å; Q137-H140 PolarHBondContact NE2-CE1 3.24Å; Q137-H140 VanDerWaalsContact O-CB 3.27Å; Q137-H140 WeakPolarHBondContact O-CB 3.44Å; Q137-H140 PolarHBondContact O-N 3.11Å; Q137-H140 VanDerWaalsContact O-N 3.1Å; Q137-H140 PolarHBondContact OE1-CE1 2.77Å; Q137-H140 PolarHBondContact OE1-ND1 2.54Å; Q137-I141 WeakPolarHBondContact O-CG1 3.48Å; Q137-I141 PolarHBondContact O-N 2.83Å
138	V	72.7	Confident	76	Confident	24 Å²	24	45 Å²	45	15%	0.145	22%	0.223	C	C	.	.	H	α-helix	trans	-63.6	-39.5	-174.3	-179.9	0	0	0	0	112.4	L133 H140 I141 R142 V443 F444	L133-V138 HydrophobicContact CD2-CG2 4.03Å; V138-H140 PolarHBondContact O-N 2.73Å; V138-I141 PolarHBondContact O-N 2.87Å; V138-R142 PolarHBondContact O-N 3.36Å; V138-V443 HydrophobicContact CG1-CB 4.05Å; V138-V443 HydrophobicContact CG1-CG2 3.93Å; V138-V443 HydrophobicContact CG2-CG2 3.97Å; V138-F444 HydrophobicContact CG1-CD1 4.47Å; V138-F444 HydrophobicContact CG1-CE1 4.17Å; V138-F444 HydrophobicContact CG2-CE1 3.99Å; V138-F444 HydrophobicContact CG2-CZ 4.08Å
139	A	68.4	Low	75.6	Confident	62 Å²	62	42 Å²	42	51%	0.512	22%	0.216	S	C	.	.	H	α-helix	trans	-61.4	-36.2	176	0	0	0	0	0	111.5	Q137 R142 A143	Q137-A139 VanDerWaalsContact C-N 3.34Å; Q137-A139 PolarHBondContact O-N 2.85Å; A139-R142 PolarHBondContact O-N 2.64Å; A139-A143 PolarHBondContact O-N 3.37Å
140	H	70.6	Confident	75	Confident	18 Å²	18	47.4 Å²	47.4	8%	0.083	24%	0.241	C	C	.	.	H	α-helix	trans	-66.4	-44	-179.4	-63.9	-170.1	0	0	0	112.2	Q137 V138 R142 A143 E144 G239 T242 G243	Q137-H140 PolarHBondContact NE2-CE1 3.24Å; Q137-H140 VanDerWaalsContact O-CB 3.27Å; Q137-H140 WeakPolarHBondContact O-CB 3.44Å; Q137-H140 PolarHBondContact O-N 3.11Å; Q137-H140 VanDerWaalsContact O-N 3.1Å; Q137-H140 PolarHBondContact OE1-CE1 2.77Å; Q137-H140 PolarHBondContact OE1-ND1 2.54Å; V138-H140 PolarHBondContact O-N 2.73Å; H140-R142 VanDerWaalsContact C-N 3.26Å; H140-R142 PolarHBondContact O-N 2.79Å; H140-A143 PolarHBondContact O-N 3.09Å; H140-E144 WeakPolarHBondContact O-CB 3.4Å; H140-E144 PolarHBondContact O-N 2.87Å; H140-G239 WeakPolarHBondContact CB-O 3.42Å; H140-G239 PolarHBondContact ND1-O 3.31Å; H140-G239 VanDerWaalsContact ND1-O 3.15Å; H140-T242 WeakPolarHBondContact CA-OG1 3.46Å; H140-T242 PolarHBondContact CD2-OG1 3.24Å; H140-T242 VanDerWaalsContact NE2-C 3.31Å; H140-T242 PolarHBondContact NE2-O 2.87Å; H140-G243 VanDerWaalsContact CE1-C 3.43Å; H140-G243 WeakPolarHBondContact CE1-CA 3.43Å; H140-G243 PolarHBondContact CE1-O 2.87Å; H140-G243 WeakPolarHBondContact NE2-CA 3.45Å; H140-G243 PolarHBondContact NE2-N 2.93Å
141	I	73.6	Confident	74.6	Confident	6 Å²	6	46.2 Å²	46.2	3%	0.031	23%	0.232	C	C	.	.	H	α-helix	trans	-61.8	-38.7	177.1	-61.9	163.7	0	0	0	111.2	L127 M132 Q137 V138 R145 L169 F444 Y447	L127-I141 HydrophobicContact CD1-CG1 4.46Å; M132-I141 HydrophobicContact CB-CD1 3.73Å; M132-I141 HydrophobicContact CG-CD1 3.34Å; M132-I141 HydrophobicContact CG-CG1 4.42Å; M132-I141 HydrophobicContact SD-CD1 3.21Å; M132-I141 WeakPolarHBondContact SD-CD1 3.44Å; M132-I141 HydrophobicContact SD-CG1 3.66Å; Q137-I141 WeakPolarHBondContact O-CG1 3.48Å; Q137-I141 PolarHBondContact O-N 2.83Å; V138-I141 PolarHBondContact O-N 2.87Å; I141-R145 WeakPolarHBondContact O-CB 3.25Å; I141-R145 PolarHBondContact O-N 3.03Å; I141-L169 HydrophobicContact CD1-CD1 3.6Å; I141-L169 HydrophobicContact CG2-CD1 3.96Å; I141-F444 HydrophobicContact CD1-CE1 4.06Å; I141-Y447 HydrophobicContact CG2-CD2 4.02Å; I141-Y447 HydrophobicContact CG2-CE2 3.44Å; I141-Y447 VanDerWaalsContact CG2-CE2 3.44Å
142	R	73.8	Confident	74	Confident	108 Å²	108	49.8 Å²	49.8	41%	0.408	25%	0.251	S	S	.	.	H	α-helix	trans	-65	-47.5	176.9	-70.3	178.3	177.4	-167.8	-1.5	110.5	V138 A139 H140 E144 R145 D146 V443	V138-R142 PolarHBondContact O-N 3.36Å; A139-R142 PolarHBondContact O-N 2.64Å; H140-R142 VanDerWaalsContact C-N 3.26Å; H140-R142 PolarHBondContact O-N 2.79Å; R142-E144 PolarHBondContact O-N 3.47Å; R142-R145 PolarHBondContact O-N 3.45Å; R142-D146 WeakPolarHBondContact O-CB 3.33Å; R142-D146 PolarHBondContact O-N 2.97Å; R142-V443 PolarHBondContact NE-O 3.29Å; R142-V443 PolarHBondContact NH2-O 3.12Å
143	A	70.2	Confident	73.7	Confident	15 Å²	15	50.5 Å²	50.5	12%	0.124	26%	0.259	C	S	.	.	H	α-helix	trans	-58.9	-46.7	175.8	0	0	0	0	0	112.1	A139 H140 R145 D146 I147 C241 T242	A139-A143 PolarHBondContact O-N 3.37Å; H140-A143 PolarHBondContact O-N 3.09Å; A143-R145 VanDerWaalsContact C-N 3.35Å; A143-R145 PolarHBondContact O-N 3.01Å; A143-D146 PolarHBondContact O-N 2.79Å; A143-I147 VanDerWaalsContact O-CG1 3.3Å; A143-I147 WeakPolarHBondContact O-CG1 3.48Å; A143-I147 PolarHBondContact O-N 3.31Å; A143-C241 HydrophobicContact CB-CB 4.5Å; A143-T242 HydrophobicContact CB-CG2 4.34Å
144	E	76.8	Confident	74.2	Confident	6 Å²	6	50.1 Å²	50.1	3%	0.028	26%	0.261	C	S	.	.	H	α-helix	trans	-58.6	-46.4	177.2	179.6	178.1	-167.8	0	0	111.4	K125 H140 R142 L148 F238	K125-E144 IonicContact NZ-OE1 2.85Å; K125-E144 PolarHBondContact NZ-OE1 2.58Å; K125-E144 IonicContact NZ-OE2 3.35Å; H140-E144 WeakPolarHBondContact O-CB 3.4Å; H140-E144 PolarHBondContact O-N 2.87Å; R142-E144 PolarHBondContact O-N 3.47Å; E144-L148 HydrophobicContact CG-CD1 3.88Å; E144-L148 WeakPolarHBondContact O-CB 3.18Å; E144-L148 WeakPolarHBondContact O-CD1 3.38Å; E144-L148 WeakPolarHBondContact O-CG 3.41Å; E144-L148 PolarHBondContact O-N 3.02Å; E144-F238 HydrophobicContact CB-CB 4.24Å; E144-F238 HydrophobicContact CG-CB 4.15Å
145	R	77.2	Confident	75.1	Confident	35 Å²	35	44.5 Å²	44.5	13%	0.132	23%	0.233	C	C	.	.	H	α-helix	trans	-61.5	-48.2	176.6	-175.9	-158.9	65.4	-167.2	-7	111.3	I141 R142 A143 L148 V149 M159 N446	I141-R145 WeakPolarHBondContact O-CB 3.25Å; I141-R145 PolarHBondContact O-N 3.03Å; R142-R145 PolarHBondContact O-N 3.45Å; A143-R145 VanDerWaalsContact C-N 3.35Å; A143-R145 PolarHBondContact O-N 3.01Å; R145-L148 PolarHBondContact O-N 3.02Å; R145-V149 HydrophobicContact CG-CG2 4.38Å; R145-V149 VanDerWaalsContact O-CG2 3.3Å; R145-V149 WeakPolarHBondContact O-CG2 3.46Å; R145-V149 PolarHBondContact O-N 2.95Å; R145-M159 HydrophobicContact CG-CE 4.09Å; R145-M159 HydrophobicContact CG-SD 4.41Å; R145-N446 VanDerWaalsContact NH1-C 3.26Å; R145-N446 PolarHBondContact NH1-O 3.13Å
146	D	76.1	Confident	76.1	Confident	57 Å²	57	41.3 Å²	41.3	31%	0.305	22%	0.22	S	C	.	.	H	α-helix	trans	-64.8	-43.1	-173.7	-64.7	-13	0	0	0	110.7	R142 A143 L148 V149 E150	R142-D146 WeakPolarHBondContact O-CB 3.33Å; R142-D146 PolarHBondContact O-N 2.97Å; A143-D146 PolarHBondContact O-N 2.79Å; D146-L148 PolarHBondContact O-N 3Å; D146-V149 PolarHBondContact O-N 2.77Å; D146-E150 WeakPolarHBondContact O-CG 3.48Å; D146-E150 PolarHBondContact O-N 3.17Å
147	I	78.8	Confident	77	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-57.6	-50.4	171	-67.2	164.9	0	0	0	110.5	A143 V149 E150 A151 F215 F238 C241	A143-I147 VanDerWaalsContact O-CG1 3.3Å; A143-I147 WeakPolarHBondContact O-CG1 3.48Å; A143-I147 PolarHBondContact O-N 3.31Å; I147-V149 PolarHBondContact O-N 2.75Å; I147-E150 PolarHBondContact O-N 3.29Å; I147-A151 HydrophobicContact CG2-CB 4.25Å; I147-A151 WeakPolarHBondContact O-CA 3.38Å; I147-A151 WeakPolarHBondContact O-CB 3.45Å; I147-A151 PolarHBondContact O-N 3.26Å; I147-F215 HydrophobicContact CD1-CB 3.95Å; I147-F215 HydrophobicContact CD1-CD1 3.53Å; I147-F215 HydrophobicContact CD1-CD2 4.42Å; I147-F215 HydrophobicContact CD1-CE1 4.09Å; I147-F215 HydrophobicContact CD1-CG 3.72Å; I147-F215 HydrophobicContact CG1-CB 4.13Å; I147-F215 HydrophobicContact CG1-CD1 3.32Å; I147-F215 HydrophobicContact CG1-CD2 3.67Å; I147-F215 HydrophobicContact CG1-CE1 3.45Å; I147-F215 VanDerWaalsContact CG1-CE1 3.45Å; I147-F215 HydrophobicContact CG1-CE2 3.81Å; I147-F215 HydrophobicContact CG1-CG 3.42Å; I147-F215 VanDerWaalsContact CG1-CG 3.42Å; I147-F215 HydrophobicContact CG1-CZ 3.7Å; I147-F238 HydrophobicContact CB-CG 4.33Å; I147-F238 HydrophobicContact CD1-CB 3.79Å; I147-F238 HydrophobicContact CD1-CD1 4.09Å; I147-F238 HydrophobicContact CD1-CG 4.07Å; I147-F238 HydrophobicContact CG2-CD1 3.86Å; I147-F238 HydrophobicContact CG2-CD2 3.96Å; I147-F238 HydrophobicContact CG2-CE1 4.01Å; I147-F238 HydrophobicContact CG2-CE2 4.15Å; I147-F238 HydrophobicContact CG2-CG 3.83Å; I147-F238 HydrophobicContact CG2-CZ 4.17Å; I147-C241 HydrophobicContact CD1-CB 4.03Å; I147-C241 WeakPolarHBondContact CD1-SG 3.22Å
148	L	81.1	Confident	77.9	Confident	4 Å²	4	36 Å²	36	2%	0.021	19%	0.194	C	C	.	.	H	α-helix	trans	-63.7	-28.7	-178	-72.1	170.9	0	0	0	112.4	E144 R145 D146 V156 V157 M159 L171 M173 F238 R451	E144-L148 HydrophobicContact CG-CD1 3.88Å; E144-L148 WeakPolarHBondContact O-CB 3.18Å; E144-L148 WeakPolarHBondContact O-CD1 3.38Å; E144-L148 WeakPolarHBondContact O-CG 3.41Å; E144-L148 PolarHBondContact O-N 3.02Å; R145-L148 PolarHBondContact O-N 3.02Å; D146-L148 PolarHBondContact O-N 3Å; L148-V156 HydrophobicContact CD2-CG1 3.9Å; L148-V157 WeakPolarHBondContact CD2-O 3.45Å; L148-M159 HydrophobicContact CB-CB 3.77Å; L148-M159 HydrophobicContact CB-CE 4.16Å; L148-M159 HydrophobicContact CB-SD 4.25Å; L148-M159 HydrophobicContact CD1-CB 4.28Å; L148-M159 HydrophobicContact CD1-SD 4.36Å; L148-M159 HydrophobicContact CG-CB 4.46Å; L148-L171 HydrophobicContact CD1-CD2 3.89Å; L148-M173 HydrophobicContact CD1-SD 4.47Å; L148-F238 HydrophobicContact CD2-CD2 3.98Å; L148-F238 HydrophobicContact CD2-CE2 3.82Å; L148-F238 HydrophobicContact CG-CD2 4.16Å; L148-F238 HydrophobicContact CG-CE2 4.46Å; L148-R451 PolarHBondContact O-NH2 3.43Å
149	V	76.4	Confident	78.6	Confident	42 Å²	42	34.9 Å²	34.9	26%	0.255	19%	0.188	S	C	.	.	H	α-helix	trans	-73	-45.7	175	171.2	0	0	0	0	111.4	R145 D146 I147 M159 Y449	R145-V149 HydrophobicContact CG-CG2 4.38Å; R145-V149 VanDerWaalsContact O-CG2 3.3Å; R145-V149 WeakPolarHBondContact O-CG2 3.46Å; R145-V149 PolarHBondContact O-N 2.95Å; D146-V149 PolarHBondContact O-N 2.77Å; I147-V149 PolarHBondContact O-N 2.75Å; V149-M159 HydrophobicContact CB-CE 4.46Å; V149-M159 HydrophobicContact CG2-CE 3.31Å; V149-Y449 HydrophobicContact CB-CE2 4.4Å; V149-Y449 HydrophobicContact CG1-CD2 4.43Å; V149-Y449 HydrophobicContact CG1-CE2 3.7Å; V149-Y449 HydrophobicContact CG2-CD1 4.03Å; V149-Y449 HydrophobicContact CG2-CD2 3.84Å; V149-Y449 HydrophobicContact CG2-CE1 3.95Å; V149-Y449 HydrophobicContact CG2-CE2 3.76Å; V149-Y449 HydrophobicContact CG2-CG 3.96Å
150	E	72.3	Confident	79.6	Confident	123 Å²	123	32.2 Å²	32.2	58%	0.575	16%	0.164	S	C	*	.	H	α-helix	trans	-85.4	-31.2	-171.9	-68.2	-179.4	-174.2	0	0	113.7	D146 I147	D146-E150 WeakPolarHBondContact O-CG 3.48Å; D146-E150 PolarHBondContact O-N 3.17Å; I147-E150 PolarHBondContact O-N 3.29Å
151	A	74.5	Confident	80.4	Confident	7 Å²	7	31.6 Å²	31.6	6%	0.058	16%	0.161	C	C	.	.	S	Bend	trans	-69.4	146.9	-171.5	0	0	0	0	0	113.3	I147 G153 V156 L213	I147-A151 HydrophobicContact CG2-CB 4.25Å; I147-A151 WeakPolarHBondContact O-CA 3.38Å; I147-A151 WeakPolarHBondContact O-CB 3.45Å; I147-A151 PolarHBondContact O-N 3.26Å; A151-G153 PolarHBondContact O-N 3.39Å; A151-V156 HydrophobicContact CB-CB 3.73Å; A151-V156 HydrophobicContact CB-CG1 3.85Å; A151-V156 HydrophobicContact CB-CG2 3.74Å; A151-L213 HydrophobicContact CB-CD1 4.05Å
152	D	66.4	Low	81.2	Confident	106 Å²	106	31.4 Å²	31.4	57%	0.567	16%	0.161	S	C	*	.			trans	-64.2	130.1	173.9	-173.3	5.6	0	0	0	110.6	A154 W155 V156	D152-A154 PolarHBondContact O-N 3.22Å; D152-A154 VanDerWaalsContact O-N 3.11Å; D152-A154 PolarHBondContact OD1-N 3.11Å; D152-W155 PolarHBondContact O-N 2.99Å; D152-V156 PolarHBondContact O-N 3.23Å
153	G	73.3	Confident	81.9	Confident	20 Å²	20	26.5 Å²	26.5	21%	0.206	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-2.8	-179.6	0	0	0	0	0	113.9	A151 K234	A151-G153 PolarHBondContact O-N 3.39Å; G153-K234 VanDerWaalsContact O-CE 3.22Å; G153-K234 WeakPolarHBondContact O-CE 3.27Å; G153-K234 PolarHBondContact O-NZ 3.11Å
154	A	87.8	Confident	82.8	Confident	27 Å²	27	28.1 Å²	28.1	22%	0.223	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-51.5	171	0	0	0	0	0	111.4	D152 K234 R398	D152-A154 PolarHBondContact O-N 3.22Å; D152-A154 VanDerWaalsContact O-N 3.11Å; D152-A154 PolarHBondContact OD1-N 3.11Å; A154-K234 WeakPolarHBondContact O-CE 3.44Å; A154-R398 PolarHBondContact O-NE 2.63Å; A154-R398 PolarHBondContact O-NH1 3.18Å; A154-R398 VanDerWaalsContact O-NH1 3.17Å; A154-R398 PolarHBondContact O-NH2 3.42Å
155	W	92.8	Very high	83.3	Confident	35 Å²	35	30.6 Å²	30.6	13%	0.133	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.6	-16.1	-170.5	-61	112.5	0	0	0	114.6	D152 E202 L205 A206 A209 K234 L235 I397 R398	D152-W155 PolarHBondContact O-N 2.99Å; W155-E202 HydrophobicContact CH2-CG 4.43Å; W155-E202 HydrophobicContact CZ3-CB 3.91Å; W155-E202 HydrophobicContact CZ3-CG 4.15Å; W155-E202 WeakPolarHBondContact CZ3-O 3.22Å; W155-L205 HydrophobicContact CD2-CB 4.26Å; W155-L205 HydrophobicContact CE3-CB 4.37Å; W155-L205 HydrophobicContact CH2-CB 3.85Å; W155-L205 HydrophobicContact CH2-CD1 3.6Å; W155-L205 HydrophobicContact CH2-CG 4.38Å; W155-L205 HydrophobicContact CZ2-CB 3.71Å; W155-L205 HydrophobicContact CZ2-CD1 3.57Å; W155-L205 HydrophobicContact CZ2-CG 4.28Å; W155-L205 HydrophobicContact CZ3-CB 4.17Å; W155-A206 HydrophobicContact CB-CB 3.85Å; W155-A206 HydrophobicContact CD2-CB 4.28Å; W155-A206 HydrophobicContact CE3-CB 3.9Å; W155-A206 HydrophobicContact CG-CB 4.29Å; W155-A209 HydrophobicContact CB-CB 4.43Å; W155-A209 HydrophobicContact CG-CB 4.42Å; W155-K234 CarbonylContact O-C 3.47Å; W155-K234 WeakPolarHBondContact O-CA 3Å; W155-L235 PolarHBondContact O-N 3.23Å; W155-I397 HydrophobicContact CH2-CG2 4.28Å; W155-R398 HydrophobicContact CH2-CB 4.2Å; W155-R398 HydrophobicContact CH2-CG 4.36Å
156	V	92	Very high	83.6	Confident	3 Å²	3	36.9 Å²	36.9	2%	0.018	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-119.4	141.9	-179.2	174.4	0	0	0	0	109.4	L148 A151 D152 K158 I210 F238	L148-V156 HydrophobicContact CD2-CG1 3.9Å; A151-V156 HydrophobicContact CB-CB 3.73Å; A151-V156 HydrophobicContact CB-CG1 3.85Å; A151-V156 HydrophobicContact CB-CG2 3.74Å; D152-V156 PolarHBondContact O-N 3.23Å; V156-K158 PolarHBondContact O-N 3.24Å; V156-I210 HydrophobicContact CG2-CG2 3.64Å; V156-F238 HydrophobicContact CB-CZ 4.16Å; V156-F238 HydrophobicContact CG1-CE2 3.36Å; V156-F238 HydrophobicContact CG1-CZ 3.41Å; V156-F238 VanDerWaalsContact CG1-CZ 3.41Å; V156-F238 HydrophobicContact CG2-CE1 4.49Å; V156-F238 HydrophobicContact CG2-CZ 3.79Å
157	V	91.4	Very high	84	Confident	5 Å²	5	37.9 Å²	37.9	3%	0.03	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-53.8	127	173.6	173.1	0	0	0	0	110.3	L148 M159 M173 E174 L176 L226 K234 L235	L148-V157 WeakPolarHBondContact CD2-O 3.45Å; V157-M159 PolarHBondContact O-N 2.89Å; V157-M173 HydrophobicContact CG1-CB 3.79Å; V157-M173 HydrophobicContact CG1-CG 4.23Å; V157-M173 HydrophobicContact CG1-SD 4.09Å; V157-E174 HydrophobicContact CG1-CG 4.11Å; V157-L176 HydrophobicContact CG2-CD1 3.78Å; V157-L226 HydrophobicContact CG2-CD1 3.9Å; V157-K234 HydrophobicContact CG2-CB 4.31Å; V157-L235 WeakPolarHBondContact CG2-O 3.16Å; V157-L235 PolarHBondContact N-O 3.21Å
158	K	89.1	Confident	84.4	Confident	53 Å²	53	38.4 Å²	38.4	23%	0.23	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-77.4	120.2	-178.9	-167.5	168.1	-171.7	165.7	0	111.4	V156 F160 M173 E174 R451	V156-K158 PolarHBondContact O-N 3.24Å; K158-F160 HydrophobicContact CD-CE1 4.13Å; K158-F160 HydrophobicContact CD-CZ 3.94Å; K158-F160 HydrophobicContact CG-CE1 4.41Å; K158-F160 HydrophobicContact CG-CE2 4.48Å; K158-F160 HydrophobicContact CG-CZ 4.15Å; K158-M173 CarbonylContact O-C 3.55Å; K158-M173 VanDerWaalsContact O-CA 3.28Å; K158-M173 WeakPolarHBondContact O-CA 3.41Å; K158-E174 HydrophobicContact CB-CB 4.47Å; K158-E174 HydrophobicContact CB-CG 4.11Å; K158-E174 WeakPolarHBondContact CB-OE1 3.47Å; K158-E174 PolarHBondContact N-OE1 2.86Å; K158-E174 PolarHBondContact O-N 3.05Å; K158-R451 VanDerWaalsContact CE-CD 3.45Å
159	M	88.8	Confident	84.8	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	120.1	172	-178.5	-168.3	61.1	0	0	112.1	R145 L148 V149 V157 L171 I172 M173 Y449 R451	R145-M159 HydrophobicContact CG-CE 4.09Å; R145-M159 HydrophobicContact CG-SD 4.41Å; L148-M159 HydrophobicContact CB-CB 3.77Å; L148-M159 HydrophobicContact CB-CE 4.16Å; L148-M159 HydrophobicContact CB-SD 4.25Å; L148-M159 HydrophobicContact CD1-CB 4.28Å; L148-M159 HydrophobicContact CD1-SD 4.36Å; L148-M159 HydrophobicContact CG-CB 4.46Å; V149-M159 HydrophobicContact CB-CE 4.46Å; V149-M159 HydrophobicContact CG2-CE 3.31Å; V157-M159 PolarHBondContact O-N 2.89Å; M159-L171 HydrophobicContact SD-CD2 3.86Å; M159-I172 CarbonylContact C-O 3.6Å; M159-M173 HydrophobicContact CB-CG 4.36Å; M159-M173 HydrophobicContact CG-CG 4.48Å; M159-Y449 HydrophobicContact CE-CD1 3.46Å; M159-Y449 VanDerWaalsContact CE-CD1 3.46Å; M159-Y449 HydrophobicContact CE-CE1 3.81Å; M159-Y449 HydrophobicContact CE-CG 4.16Å; M159-R451 PolarHBondContact O-NE 2.97Å; M159-R451 PolarHBondContact O-NH2 3.46Å
160	F	87.8	Confident	85.5	Confident	6 Å²	6	36.3 Å²	36.3	3%	0.026	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	-44.9	178.2	-66.6	-79	0	0	0	113.5	Y122 K158 I172 E174 R451	Y122-F160 AromaticContact CD1-CD2 3.75Å; Y122-F160 HydrophobicContact CD1-CD2 3.75Å; Y122-F160 HydrophobicContact CD1-CE2 4.21Å; Y122-F160 HydrophobicContact CD1-CG 4.48Å; Y122-F160 HydrophobicContact CE1-CB 4.37Å; Y122-F160 AromaticContact CE1-CD2 3.56Å; Y122-F160 HydrophobicContact CE1-CD2 3.56Å; Y122-F160 AromaticContact CE1-CE2 3.97Å; Y122-F160 HydrophobicContact CE1-CE2 3.97Å; Y122-F160 AromaticContact CE1-CG 3.94Å; Y122-F160 HydrophobicContact CE1-CG 3.94Å; K158-F160 HydrophobicContact CD-CE1 4.13Å; K158-F160 HydrophobicContact CD-CZ 3.94Å; K158-F160 HydrophobicContact CG-CE1 4.41Å; K158-F160 HydrophobicContact CG-CE2 4.48Å; K158-F160 HydrophobicContact CG-CZ 4.15Å; F160-I172 PolarHBondContact N-O 3.12Å; F160-E174 HydrophobicContact CE2-CB 3.87Å; F160-R451 WeakPolarHBondContact O-CB 3.49Å; F160-R451 PolarHBondContact O-N 3.44Å
161	Y	88.7	Confident	86.4	Confident	5 Å²	5	30.5 Å²	30.5	2%	0.02	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	152.3	-174.9	-40	-68.5	0	0	0	110.2	L86 L91 F96 Y122 I172 Y449 K450 G454	L86-Y161 HydrophobicContact CD2-CE1 4.31Å; L91-Y161 HydrophobicContact CD1-CD1 3.72Å; L91-Y161 HydrophobicContact CD1-CD2 4.5Å; L91-Y161 HydrophobicContact CD1-CE1 4.25Å; L91-Y161 HydrophobicContact CD1-CG 3.88Å; F96-Y161 HydrophobicContact CZ-CD2 4.11Å; F96-Y161 HydrophobicContact CZ-CE2 4.46Å; Y122-Y161 HydrophobicContact CE1-CE2 4.41Å; Y161-I172 HydrophobicContact CD2-CB 3.74Å; Y161-I172 HydrophobicContact CD2-CG1 4.07Å; Y161-I172 HydrophobicContact CD2-CG2 3.7Å; Y161-I172 HydrophobicContact CE2-CG2 4.3Å; Y161-I172 HydrophobicContact CG-CB 4.34Å; Y161-I172 PolarHBondContact N-O 2.75Å; Y161-I172 PolarHBondContact O-N 2.96Å; Y161-Y449 VanDerWaalsContact CA-O 3.32Å; Y161-Y449 WeakPolarHBondContact CA-O 3.27Å; Y161-K450 HydrophobicContact CD1-CB 4.21Å; Y161-K450 HydrophobicContact CD1-CG 4.21Å; Y161-G454 PolarHBondContact OH-O 3.05Å; Y161-G454 VanDerWaalsContact OH-O 3.08Å
162	S	89.5	Confident	87.3	Confident	2 Å²	2	30.1 Å²	30.1	1%	0.014	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	144	160.4	59.4	0	0	0	0	109.1	Y170 Y447 T448 Y449	S162-Y170 CarbonylContact C-O 3.56Å; S162-Y170 WeakPolarHBondContact CA-O 3.38Å; S162-Y170 WeakPolarHBondContact CB-O 3.18Å; S162-Y447 WeakPolarHBondContact CB-O 3.48Å; S162-Y447 PolarHBondContact OG-O 3.43Å; S162-T448 VanDerWaalsContact O-CA 3.23Å; S162-T448 WeakPolarHBondContact O-CA 3.23Å; S162-T448 WeakPolarHBondContact O-CG2 3.46Å; S162-Y449 PolarHBondContact N-O 3.12Å; S162-Y449 PolarHBondContact O-N 2.97Å; S162-Y449 VanDerWaalsContact OG-CB 3.27Å; S162-Y449 WeakPolarHBondContact OG-CB 3.5Å; S162-Y449 PolarHBondContact OG-N 3.26Å
163	F	89.4	Confident	88.5	Confident	6 Å²	6	26 Å²	26	3%	0.026	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	170.6	177.6	60.3	-91.3	0	0	0	110.1	L91 F96 Y170 I172 Y447	L91-F163 HydrophobicContact CB-CD1 4.48Å; F96-F163 HydrophobicContact CD2-CE1 4.3Å; F96-F163 HydrophobicContact CD2-CZ 4.18Å; F96-F163 AromaticContact CE2-CE1 3.73Å; F96-F163 HydrophobicContact CE2-CE1 3.73Å; F96-F163 HydrophobicContact CE2-CZ 4.07Å; F96-F163 HydrophobicContact CZ-CE1 4.46Å; F163-Y170 AromaticContact CD2-CD2 3.49Å; F163-Y170 HydrophobicContact CD2-CD2 3.49Å; F163-Y170 VanDerWaalsContact CD2-CD2 3.49Å; F163-Y170 HydrophobicContact CD2-CE2 4.27Å; F163-Y170 AromaticContact CD2-CG 3.86Å; F163-Y170 HydrophobicContact CD2-CG 3.86Å; F163-Y170 HydrophobicContact CE2-CD1 4.04Å; F163-Y170 AromaticContact CE2-CD2 3.32Å; F163-Y170 HydrophobicContact CE2-CD2 3.32Å; F163-Y170 AromaticContact CE2-CE2 3.97Å; F163-Y170 HydrophobicContact CE2-CE2 3.97Å; F163-Y170 AromaticContact CE2-CG 3.36Å; F163-Y170 HydrophobicContact CE2-CG 3.36Å; F163-Y170 HydrophobicContact CG-CD2 4.45Å; F163-Y170 HydrophobicContact CZ-CD1 4.23Å; F163-Y170 HydrophobicContact CZ-CD2 4.19Å; F163-Y170 AromaticContact CZ-CG 3.76Å; F163-Y170 HydrophobicContact CZ-CG 3.76Å; F163-Y170 PolarHBondContact N-O 3.16Å; F163-Y170 WeakPolarHBondContact O-CB 3.3Å; F163-Y170 WeakPolarHBondContact O-CD2 3.4Å; F163-Y170 PolarHBondContact O-N 3.43Å; F163-I172 HydrophobicContact CD1-CG1 4.44Å; F163-I172 HydrophobicContact CE1-CD1 3.91Å; F163-I172 HydrophobicContact CE1-CG1 3.75Å; F163-I172 HydrophobicContact CZ-CD1 4.39Å; F163-Y447 WeakPolarHBondContact O-CE1 3.3Å
164	Q	88.4	Confident	89.4	Confident	48 Å²	48	27 Å²	27	22%	0.224	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	155	-177.8	64.6	-176.6	-63.6	0	0	110.8	K129 N168 L169 F444 Y447	K129-Q164 VanDerWaalsContact CE-OE1 3.25Å; Q164-N168 WeakPolarHBondContact CA-O 3.35Å; Q164-L169 HydrophobicContact CB-CD2 3.63Å; Q164-F444 PolarHBondContact NE2-O 2.78Å; Q164-Y447 HydrophobicContact CB-CD1 4.15Å
165	D	86.8	Confident	89.7	Confident	59 Å²	59	26.8 Å²	26.8	32%	0.316	12%	0.119	S	C	.	.			trans	-118.6	-158.4	164.9	66.4	31	0	0	0	110.2	K129 R167 N168 Y170	K129-D165 VanDerWaalsContact CE-O 3.3Å; K129-D165 WeakPolarHBondContact CE-O 3.43Å; K129-D165 PolarHBondContact NZ-O 3.45Å; D165-R167 VanDerWaalsContact C-N 3.31Å; D165-R167 PolarHBondContact O-N 2.86Å; D165-R167 WeakPolarHBondContact OD1-CA 3.34Å; D165-R167 PolarHBondContact OD1-N 3.22Å; D165-N168 PolarHBondContact N-O 3.36Å; D165-N168 PolarHBondContact OD1-N 2.98Å; D165-Y170 HydrophobicContact CB-CE2 4.27Å; D165-Y170 VanDerWaalsContact OD2-CE2 3.25Å; D165-Y170 WeakPolarHBondContact OD2-CE2 3.26Å; D165-Y170 VanDerWaalsContact OD2-CZ 3.28Å; D165-Y170 PolarHBondContact OD2-OH 2.96Å
166	K	84.3	Confident	89.8	Confident	166 Å²	166	25.6 Å²	25.6	72%	0.722	12%	0.116	S	C	*	.	S	Bend	trans	-68.3	-28.5	179.5	-66.1	-177.6	179.7	176.9	0	113.3
167	R	84.3	Confident	90	Very high	79 Å²	79	25.9 Å²	25.9	30%	0.298	12%	0.118	S	C	.	.	S	Bend	trans	-112.1	-35.7	-169.8	-65.4	-177.7	178.3	-174.4	-0.8	113.1	K129 D165 V429 E434	K129-R167 VanDerWaalsContact CB-O 3.27Å; K129-R167 WeakPolarHBondContact CB-O 3.46Å; K129-R167 WeakPolarHBondContact CG-O 3.47Å; K129-R167 PolarHBondContact N-O 3.3Å; D165-R167 VanDerWaalsContact C-N 3.31Å; D165-R167 PolarHBondContact O-N 2.86Å; D165-R167 WeakPolarHBondContact OD1-CA 3.34Å; D165-R167 PolarHBondContact OD1-N 3.22Å; R167-V429 VanDerWaalsContact NH1-CB 3.31Å; R167-V429 PolarHBondContact NH2-O 2.96Å; R167-E434 IonicContact CZ-OE1 2.69Å; R167-E434 IonicContact NE-OE1 3.76Å; R167-E434 PolarHBondContact NE-OE1 3.04Å; R167-E434 IonicContact NH2-OE1 3.73Å; R167-E434 PolarHBondContact NH2-OE1 3.49Å
168	N	88.3	Confident	90.1	Very high	10 Å²	10	26 Å²	26	5%	0.053	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	153.2	-164.6	-63	-34.8	0	0	0	111.9	I126 L127 Q164 D165 Y170 I425	I126-N168 HydrophobicContact CG2-CB 3.99Å; L127-N168 CarbonylContact O-C 3.56Å; L127-N168 VanDerWaalsContact O-CA 3.27Å; L127-N168 WeakPolarHBondContact O-CA 3.45Å; Q164-N168 WeakPolarHBondContact CA-O 3.35Å; D165-N168 PolarHBondContact N-O 3.36Å; D165-N168 PolarHBondContact OD1-N 2.98Å; N168-Y170 HydrophobicContact CB-CD2 4.43Å; N168-Y170 HydrophobicContact CB-CE1 4.18Å; N168-Y170 HydrophobicContact CB-CE2 3.66Å; N168-Y170 WeakPolarHBondContact CB-OH 3.48Å; N168-Y170 PolarHBondContact ND2-OH 3.45Å; N168-I425 PolarHBondContact ND2-O 3.48Å
169	L	88.9	Confident	90.4	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	141.2	164.8	-55.4	178	0	0	0	108.4	I126 L127 K129 I141 Q164 F444 Y447	I126-L169 WeakPolarHBondContact CA-O 3.32Å; L127-L169 HydrophobicContact CB-CB 4.28Å; L127-L169 PolarHBondContact N-O 3.04Å; L127-L169 PolarHBondContact O-N 3.11Å; K129-L169 HydrophobicContact CD-CD2 4.44Å; K129-L169 HydrophobicContact CG-CD2 4.07Å; K129-L169 HydrophobicContact CG-CG 3.99Å; I141-L169 HydrophobicContact CD1-CD1 3.6Å; I141-L169 HydrophobicContact CG2-CD1 3.96Å; Q164-L169 HydrophobicContact CB-CD2 3.63Å; L169-F444 HydrophobicContact CD1-CD1 3.7Å; L169-F444 HydrophobicContact CD1-CE1 3.67Å; L169-F444 HydrophobicContact CD1-CZ 4.46Å; L169-F444 HydrophobicContact CD2-CB 4.24Å; L169-F444 HydrophobicContact CD2-CD1 3.99Å; L169-F444 HydrophobicContact CD2-CG 4.04Å; L169-F444 HydrophobicContact CG-CD1 4.42Å; L169-Y447 HydrophobicContact CB-CD1 4.5Å; L169-Y447 HydrophobicContact CB-CE1 3.77Å; L169-Y447 HydrophobicContact CB-CE2 4.28Å; L169-Y447 HydrophobicContact CD1-CD2 4.43Å; L169-Y447 HydrophobicContact CD1-CE2 4.12Å; L169-Y447 HydrophobicContact CD2-CD1 3.97Å; L169-Y447 HydrophobicContact CD2-CD2 4.41Å; L169-Y447 HydrophobicContact CD2-CE1 4.1Å; L169-Y447 HydrophobicContact CD2-CG 4.12Å; L169-Y447 HydrophobicContact CG-CE1 4.44Å
170	Y	90.9	Very high	90.6	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.008	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	128	-175.8	-57	-90.3	0	0	0	110	L93 M124 K125 I126 S162 F163 D165 N168 L426 Y447	L93-Y170 HydrophobicContact CD1-CD1 4.4Å; L93-Y170 HydrophobicContact CD1-CE1 3.88Å; M124-Y170 HydrophobicContact CG-CD1 4.32Å; M124-Y170 HydrophobicContact SD-CD1 3.93Å; K125-Y170 WeakPolarHBondContact O-CA 3.12Å; I126-Y170 HydrophobicContact CG1-CD1 4.03Å; I126-Y170 HydrophobicContact CG1-CE1 4.12Å; I126-Y170 HydrophobicContact CG2-CD1 4.24Å; I126-Y170 HydrophobicContact CG2-CE1 3.86Å; S162-Y170 CarbonylContact C-O 3.56Å; S162-Y170 WeakPolarHBondContact CA-O 3.38Å; S162-Y170 WeakPolarHBondContact CB-O 3.18Å; F163-Y170 AromaticContact CD2-CD2 3.49Å; F163-Y170 HydrophobicContact CD2-CD2 3.49Å; F163-Y170 VanDerWaalsContact CD2-CD2 3.49Å; F163-Y170 HydrophobicContact CD2-CE2 4.27Å; F163-Y170 AromaticContact CD2-CG 3.86Å; F163-Y170 HydrophobicContact CD2-CG 3.86Å; F163-Y170 HydrophobicContact CE2-CD1 4.04Å; F163-Y170 AromaticContact CE2-CD2 3.32Å; F163-Y170 HydrophobicContact CE2-CD2 3.32Å; F163-Y170 AromaticContact CE2-CE2 3.97Å; F163-Y170 HydrophobicContact CE2-CE2 3.97Å; F163-Y170 AromaticContact CE2-CG 3.36Å; F163-Y170 HydrophobicContact CE2-CG 3.36Å; F163-Y170 HydrophobicContact CG-CD2 4.45Å; F163-Y170 HydrophobicContact CZ-CD1 4.23Å; F163-Y170 HydrophobicContact CZ-CD2 4.19Å; F163-Y170 AromaticContact CZ-CG 3.76Å; F163-Y170 HydrophobicContact CZ-CG 3.76Å; F163-Y170 PolarHBondContact N-O 3.16Å; F163-Y170 WeakPolarHBondContact O-CB 3.3Å; F163-Y170 WeakPolarHBondContact O-CD2 3.4Å; F163-Y170 PolarHBondContact O-N 3.43Å; D165-Y170 HydrophobicContact CB-CE2 4.27Å; D165-Y170 VanDerWaalsContact OD2-CE2 3.25Å; D165-Y170 WeakPolarHBondContact OD2-CE2 3.26Å; D165-Y170 VanDerWaalsContact OD2-CZ 3.28Å; D165-Y170 PolarHBondContact OD2-OH 2.96Å; N168-Y170 HydrophobicContact CB-CD2 4.43Å; N168-Y170 HydrophobicContact CB-CE1 4.18Å; N168-Y170 HydrophobicContact CB-CE2 3.66Å; N168-Y170 WeakPolarHBondContact CB-OH 3.48Å; N168-Y170 PolarHBondContact ND2-OH 3.45Å; Y170-L426 HydrophobicContact CE1-CD2 4.29Å; Y170-Y447 PolarHBondContact O-OH 3.5Å
171	L	91.1	Very high	90.9	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.005	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	125.9	166.8	-57.4	98.6	0	0	0	109.2	M124 K125 L127 L148 M159 M173 Y447	M124-L171 CarbonylContact C-O 3.57Å; M124-L171 VanDerWaalsContact CA-O 3.32Å; M124-L171 WeakPolarHBondContact CA-O 3.38Å; K125-L171 HydrophobicContact CB-CB 4.33Å; K125-L171 HydrophobicContact CB-CD1 4.27Å; K125-L171 HydrophobicContact CD-CD1 4.4Å; K125-L171 HydrophobicContact CG-CD1 4.37Å; K125-L171 PolarHBondContact N-O 2.98Å; K125-L171 PolarHBondContact O-N 3.25Å; L127-L171 HydrophobicContact CD1-CD1 3.88Å; L148-L171 HydrophobicContact CD1-CD2 3.89Å; M159-L171 HydrophobicContact SD-CD2 3.86Å; L171-M173 HydrophobicContact CB-CG 4.43Å; L171-Y447 WeakPolarHBondContact CD1-OH 3.41Å; L171-Y447 WeakPolarHBondContact CG-OH 3.39Å
172	I	92.6	Very high	91	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	117.4	175.1	-51.2	-61.4	0	0	0	108.4	F96 Y122 M124 M159 F160 Y161 F163	F96-I172 HydrophobicContact CD1-CD1 4.43Å; F96-I172 HydrophobicContact CE1-CD1 4.1Å; F96-I172 HydrophobicContact CE1-CG1 4.24Å; F96-I172 HydrophobicContact CE1-CG2 4.09Å; F96-I172 HydrophobicContact CE2-CD1 4.27Å; F96-I172 HydrophobicContact CE2-CG1 4.33Å; F96-I172 HydrophobicContact CZ-CD1 4.03Å; F96-I172 HydrophobicContact CZ-CG1 3.86Å; F96-I172 HydrophobicContact CZ-CG2 4.37Å; Y122-I172 HydrophobicContact CD1-CG2 3.65Å; Y122-I172 HydrophobicContact CD2-CG2 4.13Å; Y122-I172 HydrophobicContact CE1-CG2 4.38Å; Y122-I172 HydrophobicContact CG-CG2 3.5Å; M124-I172 HydrophobicContact CB-CD1 3.81Å; M124-I172 HydrophobicContact CG-CD1 3.61Å; M124-I172 HydrophobicContact SD-CD1 3.81Å; M159-I172 CarbonylContact C-O 3.6Å; F160-I172 PolarHBondContact N-O 3.12Å; Y161-I172 HydrophobicContact CD2-CB 3.74Å; Y161-I172 HydrophobicContact CD2-CG1 4.07Å; Y161-I172 HydrophobicContact CD2-CG2 3.7Å; Y161-I172 HydrophobicContact CE2-CG2 4.3Å; Y161-I172 HydrophobicContact CG-CB 4.34Å; Y161-I172 PolarHBondContact N-O 2.75Å; Y161-I172 PolarHBondContact O-N 2.96Å; F163-I172 HydrophobicContact CD1-CG1 4.44Å; F163-I172 HydrophobicContact CE1-CD1 3.91Å; F163-I172 HydrophobicContact CE1-CG1 3.75Å; F163-I172 HydrophobicContact CZ-CD1 4.39Å
173	M	92.2	Very high	91.1	Very high	20 Å²	20	25 Å²	25	10%	0.099	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	162.1	-172.1	-59.8	175.5	-61.9	0	0	110.6	Y122 A123 K125 L148 V157 K158 M159 L171	Y122-M173 WeakPolarHBondContact CA-O 3.34Å; Y122-M173 WeakPolarHBondContact CB-O 3.32Å; A123-M173 PolarHBondContact N-O 2.71Å; A123-M173 PolarHBondContact O-N 2.68Å; K125-M173 HydrophobicContact CB-CE 3.72Å; K125-M173 HydrophobicContact CD-CE 4.4Å; L148-M173 HydrophobicContact CD1-SD 4.47Å; V157-M173 HydrophobicContact CG1-CB 3.79Å; V157-M173 HydrophobicContact CG1-CG 4.23Å; V157-M173 HydrophobicContact CG1-SD 4.09Å; K158-M173 CarbonylContact O-C 3.55Å; K158-M173 VanDerWaalsContact O-CA 3.28Å; K158-M173 WeakPolarHBondContact O-CA 3.41Å; M159-M173 HydrophobicContact CB-CG 4.36Å; M159-M173 HydrophobicContact CG-CG 4.48Å; L171-M173 HydrophobicContact CB-CG 4.43Å
174	E	92.3	Very high	91.3	Very high	40 Å²	40	25.7 Å²	25.7	19%	0.187	12%	0.122	C	C	.	.			trans	-57.6	139.9	167.1	67.1	-175.4	133.6	0	0	110.5	V157 K158 F160 L176 K234	V157-E174 HydrophobicContact CG1-CG 4.11Å; K158-E174 HydrophobicContact CB-CB 4.47Å; K158-E174 HydrophobicContact CB-CG 4.11Å; K158-E174 WeakPolarHBondContact CB-OE1 3.47Å; K158-E174 PolarHBondContact N-OE1 2.86Å; K158-E174 PolarHBondContact O-N 3.05Å; F160-E174 HydrophobicContact CE2-CB 3.87Å; E174-L176 HydrophobicContact CG-CD2 3.87Å; E174-L176 HydrophobicContact CG-CG 4.26Å; E174-K234 IonicContact OE1-NZ 3.64Å; E174-K234 PolarHBondContact OE1-NZ 3.12Å; E174-K234 IonicContact OE2-NZ 2.64Å; E174-K234 PolarHBondContact OE2-NZ 3.26Å
175	F	94.6	Very high	91.5	Very high	22 Å²	22	23.8 Å²	23.8	10%	0.096	11%	0.113	C	C	.	.			trans	-84.6	126.6	171.6	173.9	-123	0	0	0	109.4	I102 L112 I121 P177 I411 D413 T414 F417	I102-F175 HydrophobicContact CD1-CD2 3.95Å; I102-F175 HydrophobicContact CD1-CE2 3.85Å; L112-F175 HydrophobicContact CD1-CB 4.07Å; L112-F175 HydrophobicContact CD1-CD1 3.58Å; L112-F175 HydrophobicContact CD1-CD2 3.5Å; L112-F175 VanDerWaalsContact CD1-CD2 3.5Å; L112-F175 HydrophobicContact CD1-CE1 3.79Å; L112-F175 HydrophobicContact CD1-CE2 3.73Å; L112-F175 HydrophobicContact CD1-CG 3.42Å; L112-F175 VanDerWaalsContact CD1-CG 3.42Å; L112-F175 HydrophobicContact CD1-CZ 3.87Å; I121-F175 HydrophobicContact CG2-CB 4.14Å; I121-F175 HydrophobicContact CG2-CD1 3.97Å; I121-F175 HydrophobicContact CG2-CG 4.28Å; F175-P177 HydrophobicContact CD1-CB 4.34Å; F175-P177 HydrophobicContact CE1-CB 3.7Å; F175-P177 HydrophobicContact CZ-CB 4.05Å; F175-P177 WeakPolarHBondContact O-CD 3.24Å; F175-I411 WeakPolarHBondContact CD1-O 3.4Å; F175-D413 WeakPolarHBondContact CZ-O 3.5Å; F175-T414 HydrophobicContact CZ-CG2 4.17Å; F175-F417 HydrophobicContact CD2-CZ 4.46Å; F175-F417 HydrophobicContact CE2-CD2 4.39Å; F175-F417 AromaticContact CE2-CE2 3.48Å; F175-F417 HydrophobicContact CE2-CE2 3.48Å; F175-F417 VanDerWaalsContact CE2-CE2 3.48Å; F175-F417 AromaticContact CE2-CZ 3.56Å; F175-F417 HydrophobicContact CE2-CZ 3.56Å; F175-F417 HydrophobicContact CZ-CD2 4.42Å; F175-F417 AromaticContact CZ-CE2 3.64Å; F175-F417 HydrophobicContact CZ-CE2 3.64Å; F175-F417 HydrophobicContact CZ-CZ 4.2Å
176	L	95.3	Very high	91.6	Very high	10 Å²	10	22.6 Å²	22.6	5%	0.052	11%	0.106	C	C	.	.			trans	-108	98.9	179.3	-62.7	-173.9	0	0	0	109.5	V157 E174 G178 G179 L226 L227 D228 K234 F417	V157-L176 HydrophobicContact CG2-CD1 3.78Å; E174-L176 HydrophobicContact CG-CD2 3.87Å; E174-L176 HydrophobicContact CG-CG 4.26Å; L176-G178 PolarHBondContact O-N 3.5Å; L176-G179 PolarHBondContact O-N 2.81Å; L176-L226 HydrophobicContact CB-CB 4.44Å; L176-L226 HydrophobicContact CD1-CB 3.56Å; L176-L226 HydrophobicContact CD1-CD1 4Å; L176-L226 HydrophobicContact CD1-CG 4.44Å; L176-L227 WeakPolarHBondContact CB-O 3.48Å; L176-D228 HydrophobicContact CD2-CB 3.94Å; L176-K234 HydrophobicContact CD1-CB 3.83Å; L176-K234 HydrophobicContact CD1-CD 3.84Å; L176-K234 HydrophobicContact CD1-CG 4.29Å; L176-K234 HydrophobicContact CD2-CD 4.06Å; L176-F417 VanDerWaalsContact O-CZ 3.27Å; L176-F417 WeakPolarHBondContact O-CZ 3.49Å
177	P	95	Very high	91.9	Very high	10 Å²	10	20.3 Å²	20.3	7%	0.065	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-4.6	-167.8	32.9	-38.8	0	0	0	114.2	F175 G179 A229 I408 N416	F175-P177 HydrophobicContact CD1-CB 4.34Å; F175-P177 HydrophobicContact CE1-CB 3.7Å; F175-P177 HydrophobicContact CZ-CB 4.05Å; F175-P177 WeakPolarHBondContact O-CD 3.24Å; P177-G179 PolarHBondContact O-N 3.49Å; P177-A229 HydrophobicContact CG-CB 3.77Å; P177-I408 HydrophobicContact CB-CD1 4.37Å; P177-I408 HydrophobicContact CB-CG2 3.93Å; P177-I408 HydrophobicContact CG-CD1 3.84Å; P177-I408 HydrophobicContact CG-CG2 4.39Å; P177-N416 WeakPolarHBondContact O-CB 3.36Å; P177-N416 PolarHBondContact O-ND2 2.91Å
178	G	94.9	Very high	92.3	Very high	7 Å²	7	20.5 Å²	20.5	7%	0.072	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-8.9	174.2	0	0	0	0	0	113.9	L176 L227	L176-G178 PolarHBondContact O-N 3.5Å; G178-L227 WeakPolarHBondContact CA-O 3.1Å; G178-L227 PolarHBondContact N-O 2.83Å
179	G	93.9	Very high	92.4	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.01	12%	0.118	C	C	.	.			trans	74.3	-153.5	-177	0	0	0	0	0	111.9	L176 P177 L226 L227	L176-G179 PolarHBondContact O-N 2.81Å; P177-G179 PolarHBondContact O-N 3.49Å; G179-L226 CarbonylContact O-C 3.48Å; G179-L226 WeakPolarHBondContact O-CA 3.32Å; G179-L227 PolarHBondContact O-N 2.76Å
180	D	93.1	Very high	92.8	Very high	27 Å²	27	27 Å²	27	14%	0.144	14%	0.136	C	C	.	.	B	Isolated β-bridge	trans	-112.2	156.6	-179.6	65.4	88.8	0	0	0	112.5	M182 T183 L184 L225 L226	D180-M182 PolarHBondContact O-N 2.6Å; D180-M182 VanDerWaalsContact OD1-CA 3.32Å; D180-M182 WeakPolarHBondContact OD1-CA 3.28Å; D180-M182 WeakPolarHBondContact OD1-CB 3.11Å; D180-M182 PolarHBondContact OD1-N 2.98Å; D180-T183 PolarHBondContact O-N 3.09Å; D180-T183 VanDerWaalsContact O-N 3.14Å; D180-T183 PolarHBondContact OD1-N 2.88Å; D180-T183 PolarHBondContact OD1-OG1 3.48Å; D180-T183 PolarHBondContact OD2-OG1 2.77Å; D180-L184 PolarHBondContact O-N 3.14Å; D180-L184 VanDerWaalsContact O-N 3.09Å; D180-L225 CarbonylContact C-O 3.57Å; D180-L225 WeakPolarHBondContact CA-O 3.39Å; D180-L226 HydrophobicContact CB-CD2 3.68Å
181	M	95.3	Very high	93.1	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-62.7	-30	180	-178	60	67.8	0	0	112.2	L184 L185 L191 Y199 P222 L225 L227 M322	M181-L184 HydrophobicContact CE-CD2 4.1Å; M181-L184 PolarHBondContact O-N 3.06Å; M181-L184 HydrophobicContact SD-CB 4.36Å; M181-L184 HydrophobicContact SD-CD2 3.73Å; M181-L184 HydrophobicContact SD-CG 4.36Å; M181-L185 HydrophobicContact CG-CD1 4.1Å; M181-L185 HydrophobicContact CG-CG 4.37Å; M181-L185 WeakPolarHBondContact O-CB 3.27Å; M181-L185 VanDerWaalsContact O-CG 3.28Å; M181-L185 WeakPolarHBondContact O-CG 3.42Å; M181-L185 PolarHBondContact O-N 2.76Å; M181-L185 HydrophobicContact SD-CG 4.25Å; M181-L191 HydrophobicContact SD-CD1 4.34Å; M181-Y199 HydrophobicContact CE-CD1 3.52Å; M181-Y199 HydrophobicContact CE-CD2 3.75Å; M181-Y199 HydrophobicContact CE-CE1 3.86Å; M181-Y199 HydrophobicContact CE-CE2 4.06Å; M181-Y199 HydrophobicContact CE-CG 3.47Å; M181-Y199 VanDerWaalsContact CE-CG 3.47Å; M181-P222 HydrophobicContact CB-CB 4.05Å; M181-P222 WeakPolarHBondContact CB-O 3.35Å; M181-P222 HydrophobicContact CG-CB 4.03Å; M181-P222 PolarHBondContact N-O 3.25Å; M181-L225 HydrophobicContact CB-CB 3.84Å; M181-L225 HydrophobicContact CB-CD1 4.5Å; M181-L225 PolarHBondContact N-O 2.71Å; M181-L227 HydrophobicContact CE-CD2 4.23Å; M181-M322 HydrophobicContact CE-CE 3.86Å; M181-M322 HydrophobicContact CG-CE 3.81Å; M181-M322 HydrophobicContact SD-CE 3.68Å
182	M	91.1	Very high	93.5	Very high	7 Å²	7	30.8 Å²	30.8	3%	0.034	16%	0.159	C	C	.	.	H	α-helix	trans	-62.7	-45.8	173.8	153.7	168.6	164.4	0	0	111	D180 L184 L185 M186 P222 D223 R282 R283 A286	D180-M182 PolarHBondContact O-N 2.6Å; D180-M182 VanDerWaalsContact OD1-CA 3.32Å; D180-M182 WeakPolarHBondContact OD1-CA 3.28Å; D180-M182 WeakPolarHBondContact OD1-CB 3.11Å; D180-M182 PolarHBondContact OD1-N 2.98Å; M182-L184 VanDerWaalsContact C-N 3.32Å; M182-L184 PolarHBondContact O-N 2.95Å; M182-L185 PolarHBondContact O-N 3.47Å; M182-M186 HydrophobicContact CE-CE 4.33Å; M182-M186 HydrophobicContact CE-SD 4.27Å; M182-M186 WeakPolarHBondContact O-CG 3.27Å; M182-M186 PolarHBondContact O-N 2.83Å; M182-P222 HydrophobicContact CB-CB 3.91Å; M182-P222 PolarHBondContact N-O 3.38Å; M182-D223 HydrophobicContact CB-CB 4.31Å; M182-D223 HydrophobicContact SD-CB 4.26Å; M182-R282 HydrophobicContact CE-CB 4.25Å; M182-R282 HydrophobicContact CE-CG 3.37Å; M182-R282 HydrophobicContact CG-CG 4.15Å; M182-R282 HydrophobicContact SD-CG 3.65Å; M182-R283 HydrophobicContact CE-CG 4.28Å; M182-A286 HydrophobicContact CE-CB 3.79Å; M182-A286 HydrophobicContact SD-CB 4Å
183	T	90.9	Very high	93.7	Very high	9 Å²	9	33.8 Å²	33.8	6%	0.055	17%	0.173	C	C	.	.	H	α-helix	trans	-63.3	-39.1	176.8	-61.8	0	0	0	0	111.5	D180 M186 K187	D180-T183 PolarHBondContact O-N 3.09Å; D180-T183 VanDerWaalsContact O-N 3.14Å; D180-T183 PolarHBondContact OD1-N 2.88Å; D180-T183 PolarHBondContact OD1-OG1 3.48Å; D180-T183 PolarHBondContact OD2-OG1 2.77Å; T183-M186 PolarHBondContact O-N 3.45Å; T183-K187 WeakPolarHBondContact O-CG 3.3Å; T183-K187 PolarHBondContact O-N 3.27Å; T183-K187 VanDerWaalsContact O-N 3.11Å
184	L	93.6	Very high	94	Very high	22 Å²	22	40.3 Å²	40.3	12%	0.115	20%	0.203	C	C	.	.	H	α-helix	trans	-60.6	-46.9	172.9	177.9	59.5	0	0	0	111.9	D180 M181 M182 M186 K187 K188 Y199 L227 I404	D180-L184 PolarHBondContact O-N 3.14Å; D180-L184 VanDerWaalsContact O-N 3.09Å; M181-L184 HydrophobicContact CE-CD2 4.1Å; M181-L184 PolarHBondContact O-N 3.06Å; M181-L184 HydrophobicContact SD-CB 4.36Å; M181-L184 HydrophobicContact SD-CD2 3.73Å; M181-L184 HydrophobicContact SD-CG 4.36Å; M182-L184 VanDerWaalsContact C-N 3.32Å; M182-L184 PolarHBondContact O-N 2.95Å; L184-M186 VanDerWaalsContact C-N 3.33Å; L184-M186 PolarHBondContact O-N 2.92Å; L184-K187 PolarHBondContact O-N 2.84Å; L184-K187 VanDerWaalsContact O-N 3.09Å; L184-K188 HydrophobicContact CD1-CD 3.99Å; L184-K188 HydrophobicContact CD1-CG 4.08Å; L184-K188 PolarHBondContact O-N 3.23Å; L184-Y199 HydrophobicContact CD2-CE2 4.16Å; L184-L227 HydrophobicContact CD2-CD1 3.76Å; L184-I404 HydrophobicContact CD1-CD1 4.2Å; L184-I404 HydrophobicContact CD2-CD1 4.1Å
185	L	92.9	Very high	94.3	Very high	7 Å²	7	39.7 Å²	39.7	4%	0.037	20%	0.2	C	C	.	.	H	α-helix	trans	-67	-32.3	177.9	-69.9	173.2	0	0	0	112.8	M181 M182 K187 D189 L191 P222 E321 M322	M181-L185 HydrophobicContact CG-CD1 4.1Å; M181-L185 HydrophobicContact CG-CG 4.37Å; M181-L185 WeakPolarHBondContact O-CB 3.27Å; M181-L185 VanDerWaalsContact O-CG 3.28Å; M181-L185 WeakPolarHBondContact O-CG 3.42Å; M181-L185 PolarHBondContact O-N 2.76Å; M181-L185 HydrophobicContact SD-CG 4.25Å; M182-L185 PolarHBondContact O-N 3.47Å; L185-K187 VanDerWaalsContact C-N 3.29Å; L185-K187 PolarHBondContact O-N 3.17Å; L185-D189 WeakPolarHBondContact O-CA 3.21Å; L185-D189 PolarHBondContact O-N 3Å; L185-L191 HydrophobicContact CD2-CD1 4.07Å; L185-L191 HydrophobicContact CD2-CD2 4.22Å; L185-L191 HydrophobicContact CD2-CG 3.72Å; L185-P222 HydrophobicContact CD1-CB 4.24Å; L185-P222 HydrophobicContact CD1-CG 4.29Å; L185-E321 HydrophobicContact CD1-CG 4.47Å; L185-E321 WeakPolarHBondContact CD1-OE1 3.4Å; L185-M322 HydrophobicContact CD1-CG 4.26Å; L185-M322 HydrophobicContact CD2-CG 4.14Å
186	M	89.1	Confident	94.5	Very high	35 Å²	35	38.6 Å²	38.6	17%	0.172	20%	0.196	C	C	.	.	H	α-helix	trans	-64.5	-33.9	170.7	-74	-162.3	-60.8	0	0	112.4	M182 T183 L184 R283	M182-M186 HydrophobicContact CE-CE 4.33Å; M182-M186 HydrophobicContact CE-SD 4.27Å; M182-M186 WeakPolarHBondContact O-CG 3.27Å; M182-M186 PolarHBondContact O-N 2.83Å; T183-M186 PolarHBondContact O-N 3.45Å; L184-M186 VanDerWaalsContact C-N 3.33Å; L184-M186 PolarHBondContact O-N 2.92Å; M186-R283 HydrophobicContact CE-CG 4.15Å; M186-R283 HydrophobicContact SD-CG 3.75Å
187	K	90.1	Very high	94.6	Very high	118 Å²	118	40.3 Å²	40.3	51%	0.513	20%	0.204	S	C	.	.	H	α-helix	trans	-79.5	-38	179.3	-72	177	179.4	-178.6	0	112.7	T183 L184 L185 S415 N416	T183-K187 WeakPolarHBondContact O-CG 3.3Å; T183-K187 PolarHBondContact O-N 3.27Å; T183-K187 VanDerWaalsContact O-N 3.11Å; L184-K187 PolarHBondContact O-N 2.84Å; L184-K187 VanDerWaalsContact O-N 3.09Å; L185-K187 VanDerWaalsContact C-N 3.29Å; L185-K187 PolarHBondContact O-N 3.17Å; K187-S415 PolarHBondContact NZ-O 3.2Å; K187-N416 PolarHBondContact NZ-OD1 2.94Å; K187-N416 VanDerWaalsContact NZ-OD1 3.13Å
188	K	92.8	Very high	94.8	Very high	82 Å²	82	41 Å²	41	36%	0.357	21%	0.205	S	C	.	.	H	α-helix	trans	-97.4	-10.9	-173.6	-69.5	-157.4	66.3	156.7	0	115.4	L184 T190 L191 E195 I404	L184-K188 HydrophobicContact CD1-CD 3.99Å; L184-K188 HydrophobicContact CD1-CG 4.08Å; L184-K188 PolarHBondContact O-N 3.23Å; K188-T190 PolarHBondContact O-N 3.36Å; K188-L191 HydrophobicContact CB-CD2 4.21Å; K188-L191 HydrophobicContact CD-CD2 3.91Å; K188-E195 IonicContact NZ-OE1 2.99Å; K188-E195 PolarHBondContact NZ-OE1 3.37Å; K188-E195 IonicContact NZ-OE2 3.98Å; K188-I404 HydrophobicContact CD-CD1 3.67Å
189	D	90.9	Very high	95	Very high	86 Å²	86	40.7 Å²	40.7	46%	0.46	20%	0.202	S	C	.	.	S	Bend	trans	67.4	-53.7	-171.9	-60.8	-34.1	0	0	0	115.1	L185 K279	L185-D189 WeakPolarHBondContact O-CA 3.21Å; L185-D189 PolarHBondContact O-N 3Å; D189-K279 WeakPolarHBondContact OD1-CE 3.36Å; D189-K279 IonicContact OD1-NZ 3.79Å; D189-K279 PolarHBondContact OD1-NZ 2.93Å; D189-K279 IonicContact OD2-NZ 2.68Å
190	T	96	Very high	95.2	Very high	60 Å²	60	40.6 Å²	40.6	37%	0.368	20%	0.201	S	C	.	.	S	Bend	trans	-145.5	159.6	177.6	52.2	0	0	0	0	109.2	K188 M322	K188-T190 PolarHBondContact O-N 3.36Å; T190-M322 CarbonylContact C-O 3.49Å; T190-M322 VanDerWaalsContact CA-O 3.32Å; T190-M322 WeakPolarHBondContact CA-O 3.39Å; T190-M322 WeakPolarHBondContact CB-O 3.14Å
191	L	98	Very high	95.5	Very high	9 Å²	9	39.3 Å²	39.3	5%	0.047	20%	0.195	C	C	.	.			trans	-105.2	155	172.1	-58.1	-173.8	0	0	0	110.4	M181 L185 K188 E195 Y199 M322 I404	M181-L191 HydrophobicContact SD-CD1 4.34Å; L185-L191 HydrophobicContact CD2-CD1 4.07Å; L185-L191 HydrophobicContact CD2-CD2 4.22Å; L185-L191 HydrophobicContact CD2-CG 3.72Å; K188-L191 HydrophobicContact CB-CD2 4.21Å; K188-L191 HydrophobicContact CD-CD2 3.91Å; L191-E195 WeakPolarHBondContact CA-OE2 3.09Å; L191-E195 HydrophobicContact CB-CB 4Å; L191-Y199 HydrophobicContact CD1-CD2 3.72Å; L191-Y199 HydrophobicContact CD1-CE2 4.05Å; L191-M322 HydrophobicContact CB-CB 4.4Å; L191-M322 HydrophobicContact CD1-CB 4.28Å; L191-M322 HydrophobicContact CD1-CE 4.35Å; L191-M322 HydrophobicContact CD1-CG 3.96Å; L191-M322 HydrophobicContact CD1-SD 4.17Å; L191-M322 HydrophobicContact CG-CB 4.43Å; L191-M322 PolarHBondContact N-O 2.71Å; L191-I404 HydrophobicContact CD2-CD1 4Å
192	T	98.3	Very high	95.6	Very high	74 Å²	74	39.3 Å²	39.3	45%	0.454	20%	0.195	S	C	.	.			trans	-68.9	164.4	169.2	70.3	0	0	0	0	110.5	E194 E195 T196	T192-E194 PolarHBondContact O-N 2.83Å; T192-E195 PolarHBondContact N-OE2 2.79Å; T192-E195 PolarHBondContact O-N 2.68Å; T192-E195 WeakPolarHBondContact OG1-CG 3.34Å; T192-E195 PolarHBondContact OG1-N 2.7Å; T192-E195 VanDerWaalsContact OG1-N 3.14Å; T192-T196 VanDerWaalsContact O-CB 3.27Å; T192-T196 WeakPolarHBondContact O-CB 3.32Å; T192-T196 PolarHBondContact O-N 2.81Å; T192-T196 PolarHBondContact O-OG1 2.95Å
193	E	98.1	Very high	95.9	Very high	64 Å²	64	39 Å²	39	30%	0.299	19%	0.193	S	C	.	.	H	α-helix	trans	-62.4	-31.7	174.4	-72.4	-168.8	-157.3	0	0	112.6	Q197 L323 S357	E193-Q197 VanDerWaalsContact O-CB 3.24Å; E193-Q197 WeakPolarHBondContact O-CB 3.32Å; E193-Q197 PolarHBondContact O-N 3.26Å; E193-L323 HydrophobicContact CG-CD2 3.77Å; E193-S357 VanDerWaalsContact CD-OG 3.25Å; E193-S357 WeakPolarHBondContact OE1-CB 3.28Å; E193-S357 PolarHBondContact OE1-N 3.28Å; E193-S357 PolarHBondContact OE1-OG 3.07Å; E193-S357 WeakPolarHBondContact OE2-CB 3.46Å; E193-S357 PolarHBondContact OE2-OG 3.13Å
194	E	97.8	Very high	96.3	Very high	157 Å²	157	38.6 Å²	38.6	73%	0.734	19%	0.19	S	C	*	.	H	α-helix	trans	-69.2	-47.6	176.1	-175.3	-179.1	175.4	0	0	111.7	T192 T196 Q197 F198	T192-E194 PolarHBondContact O-N 2.83Å; E194-T196 VanDerWaalsContact C-N 3.29Å; E194-T196 PolarHBondContact O-N 2.86Å; E194-Q197 PolarHBondContact O-N 3.26Å; E194-F198 PolarHBondContact O-N 3.2Å
195	E	98.4	Very high	96.5	Very high	26 Å²	26	38.5 Å²	38.5	12%	0.121	19%	0.19	C	C	.	.	H	α-helix	trans	-60.5	-42.3	174.1	-70.3	171.4	152.6	0	0	110.8	K188 L191 T192 F198 Y199 A403 I404	K188-E195 IonicContact NZ-OE1 2.99Å; K188-E195 PolarHBondContact NZ-OE1 3.37Å; K188-E195 IonicContact NZ-OE2 3.98Å; L191-E195 WeakPolarHBondContact CA-OE2 3.09Å; L191-E195 HydrophobicContact CB-CB 4Å; T192-E195 PolarHBondContact N-OE2 2.79Å; T192-E195 PolarHBondContact O-N 2.68Å; T192-E195 WeakPolarHBondContact OG1-CG 3.34Å; T192-E195 PolarHBondContact OG1-N 2.7Å; T192-E195 VanDerWaalsContact OG1-N 3.14Å; E195-F198 PolarHBondContact O-N 3.43Å; E195-Y199 WeakPolarHBondContact O-CD2 3.1Å; E195-Y199 PolarHBondContact O-N 2.78Å; E195-Y199 VanDerWaalsContact O-N 3.11Å; E195-A403 HydrophobicContact CB-CB 4.43Å; E195-A403 HydrophobicContact CG-CB 4.25Å; E195-I404 HydrophobicContact CG-CD1 4.25Å; E195-I404 HydrophobicContact CG-CG1 4.07Å; E195-I404 WeakPolarHBondContact OE1-CG1 3.45Å
196	T	98.6	Very high	96.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-64.4	-44.2	176.6	-58.9	0	0	0	0	111.2	T192 E194 F198 Y199 I200 M319 M322 L323 F388	T192-T196 VanDerWaalsContact O-CB 3.27Å; T192-T196 WeakPolarHBondContact O-CB 3.32Å; T192-T196 PolarHBondContact O-N 2.81Å; T192-T196 PolarHBondContact O-OG1 2.95Å; E194-T196 VanDerWaalsContact C-N 3.29Å; E194-T196 PolarHBondContact O-N 2.86Å; T196-F198 VanDerWaalsContact C-N 3.3Å; T196-F198 PolarHBondContact O-N 3.29Å; T196-Y199 PolarHBondContact O-N 2.87Å; T196-I200 HydrophobicContact CG2-CG1 3.79Å; T196-I200 VanDerWaalsContact O-CB 3.27Å; T196-I200 WeakPolarHBondContact O-CB 3.17Å; T196-I200 WeakPolarHBondContact O-CG1 3.21Å; T196-I200 PolarHBondContact O-N 3.22Å; T196-M319 HydrophobicContact CG2-CG 3.95Å; T196-M322 HydrophobicContact CG2-CB 4.08Å; T196-M322 HydrophobicContact CG2-SD 3.98Å; T196-L323 HydrophobicContact CG2-CD1 4.33Å; T196-L323 HydrophobicContact CG2-CD2 4.1Å; T196-L323 HydrophobicContact CG2-CG 4.05Å; T196-L323 WeakPolarHBondContact OG1-CD2 3.33Å; T196-F388 HydrophobicContact CG2-CZ 4.32Å
197	Q	98.7	Very high	97	Very high	46 Å²	46	36.5 Å²	36.5	22%	0.215	18%	0.18	C	C	.	.	H	α-helix	trans	-56	-48	177.1	-172.9	-166.2	65.9	0	0	110.2	E193 E194 S201 F388 F389 E390 V392	E193-Q197 VanDerWaalsContact O-CB 3.24Å; E193-Q197 WeakPolarHBondContact O-CB 3.32Å; E193-Q197 PolarHBondContact O-N 3.26Å; E194-Q197 PolarHBondContact O-N 3.26Å; Q197-S201 VanDerWaalsContact O-CB 3.25Å; Q197-S201 WeakPolarHBondContact O-CB 3.46Å; Q197-S201 PolarHBondContact O-N 3.17Å; Q197-S201 PolarHBondContact O-OG 2.94Å; Q197-F388 HydrophobicContact CB-CE1 3.95Å; Q197-F388 HydrophobicContact CB-CZ 4.02Å; Q197-F388 HydrophobicContact CG-CE1 4.17Å; Q197-F388 PolarHBondContact NE2-O 2.89Å; Q197-F389 HydrophobicContact CG-CD1 4.16Å; Q197-E390 PolarHBondContact NE2-O 2.9Å; Q197-E390 VanDerWaalsContact NE2-O 3.15Å; Q197-V392 HydrophobicContact CG-CG2 3.71Å
198	F	98.6	Very high	97.2	Very high	24 Å²	24	31.7 Å²	31.7	11%	0.105	16%	0.16	C	C	.	.	H	α-helix	trans	-57.8	-55.4	177.4	178.1	-93.3	0	0	0	112.5	E194 E195 T196 I200 S201 E202 H232 I397 A402 A403	E194-F198 PolarHBondContact O-N 3.2Å; E195-F198 PolarHBondContact O-N 3.43Å; T196-F198 VanDerWaalsContact C-N 3.3Å; T196-F198 PolarHBondContact O-N 3.29Å; F198-I200 PolarHBondContact O-N 2.86Å; F198-S201 PolarHBondContact O-N 3.02Å; F198-E202 HydrophobicContact CE1-CG 4.27Å; F198-E202 HydrophobicContact CE2-CG 4.47Å; F198-E202 HydrophobicContact CZ-CG 4.12Å; F198-E202 PolarHBondContact O-N 2.69Å; F198-H232 AromaticContact CZ-CE1 3.89Å; F198-H232 AromaticContact CZ-ND1 3.61Å; F198-I397 HydrophobicContact CD2-CD1 4.09Å; F198-I397 HydrophobicContact CD2-CG1 4.03Å; F198-I397 HydrophobicContact CE2-CD1 4.24Å; F198-I397 HydrophobicContact CE2-CG1 3.75Å; F198-A402 HydrophobicContact CE1-CB 3.79Å; F198-A402 VanDerWaalsContact CZ-CA 3.44Å; F198-A402 HydrophobicContact CZ-CB 3.68Å; F198-A403 HydrophobicContact CB-CB 3.69Å; F198-A403 HydrophobicContact CD1-CB 3.72Å; F198-A403 HydrophobicContact CD2-CB 4.44Å; F198-A403 HydrophobicContact CG-CB 3.68Å
199	Y	98.6	Very high	97.2	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-68.6	-36.5	-175.7	-70	-56	0	0	0	113.3	M181 L184 L191 E195 T196 T203 L227 V233 I404	M181-Y199 HydrophobicContact CE-CD1 3.52Å; M181-Y199 HydrophobicContact CE-CD2 3.75Å; M181-Y199 HydrophobicContact CE-CE1 3.86Å; M181-Y199 HydrophobicContact CE-CE2 4.06Å; M181-Y199 HydrophobicContact CE-CG 3.47Å; M181-Y199 VanDerWaalsContact CE-CG 3.47Å; L184-Y199 HydrophobicContact CD2-CE2 4.16Å; L191-Y199 HydrophobicContact CD1-CD2 3.72Å; L191-Y199 HydrophobicContact CD1-CE2 4.05Å; E195-Y199 WeakPolarHBondContact O-CD2 3.1Å; E195-Y199 PolarHBondContact O-N 2.78Å; E195-Y199 VanDerWaalsContact O-N 3.11Å; T196-Y199 PolarHBondContact O-N 2.87Å; Y199-T203 WeakPolarHBondContact O-CB 3.35Å; Y199-T203 PolarHBondContact O-N 3.01Å; Y199-T203 PolarHBondContact O-OG1 3.39Å; Y199-L227 HydrophobicContact CD1-CD2 4.43Å; Y199-L227 HydrophobicContact CE1-CD2 3.84Å; Y199-V233 HydrophobicContact CD1-CG2 3.69Å; Y199-V233 HydrophobicContact CE1-CG2 4.38Å; Y199-I404 HydrophobicContact CE2-CD1 3.95Å; Y199-I404 HydrophobicContact CE2-CG1 4.17Å; Y199-I404 VanDerWaalsContact OH-CB 3.3Å; Y199-I404 WeakPolarHBondContact OH-CB 2.98Å
200	I	98.7	Very high	97.1	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-67.3	-42.8	175.3	-64.8	-61.6	0	0	0	109.9	T196 F198 E202 T203 V204 L315 I318 M319 M322 F389	T196-I200 HydrophobicContact CG2-CG1 3.79Å; T196-I200 VanDerWaalsContact O-CB 3.27Å; T196-I200 WeakPolarHBondContact O-CB 3.17Å; T196-I200 WeakPolarHBondContact O-CG1 3.21Å; T196-I200 PolarHBondContact O-N 3.22Å; F198-I200 PolarHBondContact O-N 2.86Å; I200-E202 PolarHBondContact O-N 3.29Å; I200-T203 PolarHBondContact O-N 3.35Å; I200-V204 HydrophobicContact CG2-CG2 4.44Å; I200-V204 WeakPolarHBondContact O-CG2 3.27Å; I200-V204 PolarHBondContact O-N 3.28Å; I200-L315 HydrophobicContact CD1-CD1 3.58Å; I200-L315 HydrophobicContact CD1-CG 4.23Å; I200-L315 HydrophobicContact CG2-CD1 4.45Å; I200-L315 HydrophobicContact CG2-CD2 4.27Å; I200-L315 HydrophobicContact CG2-CG 4.36Å; I200-I318 HydrophobicContact CD1-CG2 4.38Å; I200-M319 HydrophobicContact CD1-CB 3.73Å; I200-M319 HydrophobicContact CD1-CG 4.32Å; I200-M319 HydrophobicContact CG1-CB 4.09Å; I200-M319 HydrophobicContact CG1-CG 4.11Å; I200-M322 HydrophobicContact CD1-SD 3.89Å; I200-M322 HydrophobicContact CG1-SD 4.11Å; I200-F389 HydrophobicContact CB-CE1 4.38Å; I200-F389 HydrophobicContact CG2-CE1 3.84Å; I200-F389 HydrophobicContact CG2-CZ 3.75Å
201	S	98.5	Very high	96.8	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-59.1	-47.6	175.1	-71.1	0	0	0	0	112.7	Q197 F198 T203 V204 L205 F389 W394	Q197-S201 VanDerWaalsContact O-CB 3.25Å; Q197-S201 WeakPolarHBondContact O-CB 3.46Å; Q197-S201 PolarHBondContact O-N 3.17Å; Q197-S201 PolarHBondContact O-OG 2.94Å; F198-S201 PolarHBondContact O-N 3.02Å; S201-T203 VanDerWaalsContact C-N 3.3Å; S201-T203 PolarHBondContact O-N 3.14Å; S201-V204 WeakPolarHBondContact O-CB 3.16Å; S201-V204 PolarHBondContact O-N 3.01Å; S201-L205 PolarHBondContact O-N 2.78Å; S201-F389 WeakPolarHBondContact OG-CD1 3.3Å; S201-F389 WeakPolarHBondContact OG-CE1 3.2Å; S201-W394 VanDerWaalsContact O-CZ3 3.29Å; S201-W394 WeakPolarHBondContact O-CZ3 3.36Å
202	E	98.2	Very high	96.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-62.2	-39	175.9	-72.7	-150.7	139.9	0	0	112.6	W155 F198 I200 V204 L205 A206 H232 V233 I397	W155-E202 HydrophobicContact CH2-CG 4.43Å; W155-E202 HydrophobicContact CZ3-CB 3.91Å; W155-E202 HydrophobicContact CZ3-CG 4.15Å; W155-E202 WeakPolarHBondContact CZ3-O 3.22Å; F198-E202 HydrophobicContact CE1-CG 4.27Å; F198-E202 HydrophobicContact CE2-CG 4.47Å; F198-E202 HydrophobicContact CZ-CG 4.12Å; F198-E202 PolarHBondContact O-N 2.69Å; I200-E202 PolarHBondContact O-N 3.29Å; E202-V204 VanDerWaalsContact C-N 3.34Å; E202-L205 PolarHBondContact O-N 3.43Å; E202-A206 WeakPolarHBondContact O-CB 3.27Å; E202-A206 PolarHBondContact O-N 3.28Å; E202-H232 IonicContact OE1-CE1 3.7Å; E202-H232 IonicContact OE1-CG 3.12Å; E202-H232 IonicContact OE1-ND1 3.41Å; E202-H232 PolarHBondContact OE1-ND1 3.4Å; E202-H232 VanDerWaalsContact OE2-CA 3.3Å; E202-H232 WeakPolarHBondContact OE2-CA 3.45Å; E202-H232 IonicContact OE2-ND1 3.76Å; E202-V233 HydrophobicContact CB-CB 4.08Å; E202-V233 HydrophobicContact CB-CG2 4.07Å; E202-V233 PolarHBondContact OE2-N 3.44Å; E202-I397 HydrophobicContact CG-CD1 3.79Å; E202-I397 HydrophobicContact CG-CG1 4.08Å; E202-I397 HydrophobicContact CG-CG2 4.49Å
203	T	98.3	Very high	95.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-69.3	-33.4	178.5	-52.2	0	0	0	0	111.6	Y199 I200 S201 A206 I207 L225 L315	Y199-T203 WeakPolarHBondContact O-CB 3.35Å; Y199-T203 PolarHBondContact O-N 3.01Å; Y199-T203 PolarHBondContact O-OG1 3.39Å; I200-T203 PolarHBondContact O-N 3.35Å; S201-T203 VanDerWaalsContact C-N 3.3Å; S201-T203 PolarHBondContact O-N 3.14Å; T203-A206 PolarHBondContact O-N 3.42Å; T203-I207 HydrophobicContact CG2-CD1 3.83Å; T203-I207 HydrophobicContact CG2-CG1 4.22Å; T203-I207 WeakPolarHBondContact O-CB 3.44Å; T203-I207 VanDerWaalsContact O-CG1 3.31Å; T203-I207 WeakPolarHBondContact O-CG1 3.32Å; T203-I207 PolarHBondContact O-N 3.07Å; T203-L225 HydrophobicContact CG2-CD1 4.21Å; T203-L225 HydrophobicContact CG2-CD2 3.95Å; T203-L315 HydrophobicContact CG2-CD1 3.56Å
204	V	98.5	Very high	95	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-58.6	-48.8	171	168.2	0	0	0	0	110.7	I200 S201 E202 A206 I207 D208 W312 L315 V380 I383 F389 W394	I200-V204 HydrophobicContact CG2-CG2 4.44Å; I200-V204 WeakPolarHBondContact O-CG2 3.27Å; I200-V204 PolarHBondContact O-N 3.28Å; S201-V204 WeakPolarHBondContact O-CB 3.16Å; S201-V204 PolarHBondContact O-N 3.01Å; E202-V204 VanDerWaalsContact C-N 3.34Å; V204-A206 VanDerWaalsContact C-N 3.31Å; V204-A206 PolarHBondContact O-N 3.11Å; V204-I207 PolarHBondContact O-N 3.48Å; V204-D208 WeakPolarHBondContact O-CB 3.24Å; V204-D208 PolarHBondContact O-N 3.35Å; V204-W312 HydrophobicContact CB-CZ3 4.46Å; V204-W312 HydrophobicContact CG1-CH2 4.35Å; V204-W312 HydrophobicContact CG1-CZ3 4.46Å; V204-W312 HydrophobicContact CG2-CZ3 4.33Å; V204-L315 HydrophobicContact CG2-CD2 3.56Å; V204-V380 HydrophobicContact CG1-CG2 3.56Å; V204-I383 HydrophobicContact CG1-CG2 4.13Å; V204-I383 HydrophobicContact CG2-CG2 3.76Å; V204-F389 HydrophobicContact CG2-CZ 4.47Å; V204-W394 HydrophobicContact CB-CH2 4.15Å; V204-W394 HydrophobicContact CB-CZ3 3.94Å; V204-W394 HydrophobicContact CG1-CH2 4.11Å; V204-W394 HydrophobicContact CG1-CZ3 3.9Å; V204-W394 HydrophobicContact CG2-CH2 4.48Å
205	L	97.4	Very high	94.3	Very high	21 Å²	21	23.9 Å²	23.9	11%	0.11	14%	0.136	C	C	.	.	H	α-helix	trans	-62.7	-40.2	177.7	-66.9	176.6	0	0	0	111.7	W155 S201 E202 A209 W394 I397	W155-L205 HydrophobicContact CD2-CB 4.26Å; W155-L205 HydrophobicContact CE3-CB 4.37Å; W155-L205 HydrophobicContact CH2-CB 3.85Å; W155-L205 HydrophobicContact CH2-CD1 3.6Å; W155-L205 HydrophobicContact CH2-CG 4.38Å; W155-L205 HydrophobicContact CZ2-CB 3.71Å; W155-L205 HydrophobicContact CZ2-CD1 3.57Å; W155-L205 HydrophobicContact CZ2-CG 4.28Å; W155-L205 HydrophobicContact CZ3-CB 4.17Å; S201-L205 PolarHBondContact O-N 2.78Å; E202-L205 PolarHBondContact O-N 3.43Å; L205-A209 WeakPolarHBondContact O-CB 3.2Å; L205-A209 PolarHBondContact O-N 2.86Å; L205-W394 HydrophobicContact CD1-CE3 4.09Å; L205-W394 HydrophobicContact CD2-CE3 3.78Å; L205-W394 HydrophobicContact CD2-CZ3 4.33Å; L205-W394 HydrophobicContact CG-CE3 3.79Å; L205-W394 HydrophobicContact CG-CZ3 4.08Å; L205-I397 HydrophobicContact CD1-CG2 3.64Å
206	A	96.1	Very high	93.7	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-67.6	-42.7	-179.5	0	0	0	0	0	113.2	W155 E202 T203 V204 I210 L235	W155-A206 HydrophobicContact CB-CB 3.85Å; W155-A206 HydrophobicContact CD2-CB 4.28Å; W155-A206 HydrophobicContact CE3-CB 3.9Å; W155-A206 HydrophobicContact CG-CB 4.29Å; E202-A206 WeakPolarHBondContact O-CB 3.27Å; E202-A206 PolarHBondContact O-N 3.28Å; T203-A206 PolarHBondContact O-N 3.42Å; V204-A206 VanDerWaalsContact C-N 3.31Å; V204-A206 PolarHBondContact O-N 3.11Å; A206-I210 PolarHBondContact O-N 3.39Å; A206-L235 HydrophobicContact CB-CD1 3.72Å; A206-L235 HydrophobicContact CB-CD2 4.43Å; A206-L235 HydrophobicContact CB-CG 3.75Å; A206-L235 WeakPolarHBondContact O-CD1 3.49Å
207	I	95.5	Very high	93.2	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-67.2	-42.9	176.6	-68.2	170.6	0	0	0	110.3	T203 V204 A209 I210 H211 I220 L235 D311 W312 L315	T203-I207 HydrophobicContact CG2-CD1 3.83Å; T203-I207 HydrophobicContact CG2-CG1 4.22Å; T203-I207 WeakPolarHBondContact O-CB 3.44Å; T203-I207 VanDerWaalsContact O-CG1 3.31Å; T203-I207 WeakPolarHBondContact O-CG1 3.32Å; T203-I207 PolarHBondContact O-N 3.07Å; V204-I207 PolarHBondContact O-N 3.48Å; I207-A209 VanDerWaalsContact C-N 3.32Å; I207-A209 PolarHBondContact O-N 2.68Å; I207-I210 WeakPolarHBondContact O-CG1 3.46Å; I207-I210 PolarHBondContact O-N 3.22Å; I207-H211 WeakPolarHBondContact CG2-CE1 3.46Å; I207-H211 WeakPolarHBondContact CG2-NE2 3.47Å; I207-H211 PolarHBondContact O-CD2 2.86Å; I207-H211 PolarHBondContact O-N 3.47Å; I207-I220 HydrophobicContact CD1-CD1 4.06Å; I207-I220 HydrophobicContact CD1-CG1 4.06Å; I207-I220 HydrophobicContact CD1-CG2 4.14Å; I207-I220 HydrophobicContact CG1-CD1 3.91Å; I207-I220 HydrophobicContact CG1-CG1 4.34Å; I207-L235 HydrophobicContact CG1-CD1 4.43Å; I207-D311 HydrophobicContact CG2-CB 3.87Å; I207-W312 HydrophobicContact CB-CE3 4.43Å; I207-W312 HydrophobicContact CB-CH2 3.59Å; I207-W312 HydrophobicContact CB-CZ3 3.55Å; I207-W312 HydrophobicContact CD1-CE3 4.17Å; I207-W312 HydrophobicContact CD1-CZ3 3.86Å; I207-W312 HydrophobicContact CG1-CZ3 4.3Å; I207-W312 HydrophobicContact CG2-CD2 4.4Å; I207-W312 HydrophobicContact CG2-CE3 3.99Å; I207-W312 HydrophobicContact CG2-CH2 3.37Å; I207-W312 HydrophobicContact CG2-CZ2 3.84Å; I207-W312 HydrophobicContact CG2-CZ3 3.46Å; I207-W312 VanDerWaalsContact CG2-CZ3 3.46Å; I207-L315 HydrophobicContact CD1-CB 4.37Å; I207-L315 HydrophobicContact CD1-CD2 4.33Å
208	D	95.2	Very high	92.5	Very high	17 Å²	17	25.1 Å²	25.1	9%	0.091	14%	0.139	C	C	.	.	H	α-helix	trans	-63.9	-39.2	178.3	-173.4	56.3	0	0	0	111.7	V204 I210 H211 Q212 W312 V380	V204-D208 WeakPolarHBondContact O-CB 3.24Å; V204-D208 PolarHBondContact O-N 3.35Å; D208-I210 VanDerWaalsContact C-N 3.33Å; D208-I210 PolarHBondContact O-N 3.39Å; D208-H211 PolarHBondContact O-N 2.79Å; D208-H211 VanDerWaalsContact O-N 3.11Å; D208-Q212 WeakPolarHBondContact O-CG 3.04Å; D208-Q212 PolarHBondContact O-N 3.31Å; D208-Q212 PolarHBondContact OD2-NE2 3Å; D208-W312 HydrophobicContact CB-CH2 4.33Å; D208-V380 HydrophobicContact CB-CB 4.24Å; D208-V380 HydrophobicContact CB-CG2 3.86Å
209	A	92.1	Very high	92	Very high	25 Å²	25	24.4 Å²	24.4	21%	0.207	14%	0.137	C	C	.	.	H	α-helix	trans	-57.3	-43.1	176.5	0	0	0	0	0	112.7	W155 L205 I207 L213	W155-A209 HydrophobicContact CB-CB 4.43Å; W155-A209 HydrophobicContact CG-CB 4.42Å; L205-A209 WeakPolarHBondContact O-CB 3.2Å; L205-A209 PolarHBondContact O-N 2.86Å; I207-A209 VanDerWaalsContact C-N 3.32Å; I207-A209 PolarHBondContact O-N 2.68Å; A209-L213 WeakPolarHBondContact O-CG 3.49Å; A209-L213 PolarHBondContact O-N 2.96Å
210	I	89.6	Confident	91.7	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.005	14%	0.137	C	C	.	.	H	α-helix	trans	-74.5	-31.2	176.4	60.5	169.7	0	0	0	112.4	V156 A206 I207 D208 L213 G214 F215 H217 L235 F238	V156-I210 HydrophobicContact CG2-CG2 3.64Å; A206-I210 PolarHBondContact O-N 3.39Å; I207-I210 WeakPolarHBondContact O-CG1 3.46Å; I207-I210 PolarHBondContact O-N 3.22Å; D208-I210 VanDerWaalsContact C-N 3.33Å; D208-I210 PolarHBondContact O-N 3.39Å; I210-L213 PolarHBondContact O-N 3.2Å; I210-G214 PolarHBondContact O-N 3.05Å; I210-F215 PolarHBondContact O-N 3.15Å; I210-H217 HydrophobicContact CD1-CB 3.7Å; I210-L235 HydrophobicContact CD1-CD1 3.88Å; I210-L235 HydrophobicContact CG1-CD1 4.38Å; I210-L235 HydrophobicContact CG2-CD1 4.4Å; I210-F238 HydrophobicContact CD1-CE1 4.28Å; I210-F238 HydrophobicContact CG2-CE1 4.12Å
211	H	90.3	Very high	91.4	Very high	12 Å²	12	25 Å²	25	6%	0.056	14%	0.139	C	C	.	.	H	α-helix	trans	-67.1	-36.9	174.7	-74.2	-173.6	0	0	0	112.1	I207 D208 L213 G214 F215 K308 D311 W312	I207-H211 WeakPolarHBondContact CG2-CE1 3.46Å; I207-H211 WeakPolarHBondContact CG2-NE2 3.47Å; I207-H211 PolarHBondContact O-CD2 2.86Å; I207-H211 PolarHBondContact O-N 3.47Å; D208-H211 PolarHBondContact O-N 2.79Å; D208-H211 VanDerWaalsContact O-N 3.11Å; H211-L213 PolarHBondContact O-N 3.46Å; H211-G214 PolarHBondContact O-N 2.98Å; H211-F215 WeakPolarHBondContact CA-O 3.39Å; H211-F215 PolarHBondContact CD2-O 3.41Å; H211-K308 HydrophobicContact CB-CD 4.14Å; H211-K308 PolarHBondContact CE1-O 2.74Å; H211-D311 IonicContact CD2-OD2 3.76Å; H211-D311 IonicContact CE1-OD2 3.13Å; H211-D311 IonicContact NE2-OD2 2.94Å; H211-D311 PolarHBondContact NE2-OD2 3.49Å; H211-W312 AromaticContact ND1-CZ2 3.96Å
212	Q	89.1	Confident	91.2	Very high	148 Å²	148	25 Å²	25	69%	0.692	14%	0.139	S	C	*	.	H	α-helix	trans	-65.7	-28.5	175	-71.8	-178.1	20.9	0	0	112.5	D208 G214	D208-Q212 WeakPolarHBondContact O-CG 3.04Å; D208-Q212 PolarHBondContact O-N 3.31Å; D208-Q212 PolarHBondContact OD2-NE2 3Å; Q212-G214 PolarHBondContact O-N 2.73Å
213	L	83.6	Confident	90.7	Very high	73 Å²	73	26.9 Å²	26.9	38%	0.382	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-1.3	171.6	-64.8	172.2	0	0	0	113	A151 A209 I210 H211 F215	A151-L213 HydrophobicContact CB-CD1 4.05Å; A209-L213 WeakPolarHBondContact O-CG 3.49Å; A209-L213 PolarHBondContact O-N 2.96Å; I210-L213 PolarHBondContact O-N 3.2Å; H211-L213 PolarHBondContact O-N 3.46Å; L213-F215 HydrophobicContact CB-CD2 3.62Å; L213-F215 HydrophobicContact CB-CE2 3.92Å; L213-F215 WeakPolarHBondContact O-CD2 3.38Å
214	G	82.9	Confident	90.4	Very high	65 Å²	65	27.1 Å²	27.1	67%	0.67	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.3	11.5	178.9	0	0	0	0	0	114.5	I210 H211 Q212	I210-G214 PolarHBondContact O-N 3.05Å; H211-G214 PolarHBondContact O-N 2.98Å; Q212-G214 PolarHBondContact O-N 2.73Å
215	F	82.9	Confident	90.3	Very high	44 Å²	44	27.1 Å²	27.1	19%	0.193	15%	0.15	C	C	.	.			trans	-99.4	152.3	178.5	-60.1	-76.8	0	0	0	111.9	I147 I210 H211 L213	I147-F215 HydrophobicContact CD1-CB 3.95Å; I147-F215 HydrophobicContact CD1-CD1 3.53Å; I147-F215 HydrophobicContact CD1-CD2 4.42Å; I147-F215 HydrophobicContact CD1-CE1 4.09Å; I147-F215 HydrophobicContact CD1-CG 3.72Å; I147-F215 HydrophobicContact CG1-CB 4.13Å; I147-F215 HydrophobicContact CG1-CD1 3.32Å; I147-F215 HydrophobicContact CG1-CD2 3.67Å; I147-F215 HydrophobicContact CG1-CE1 3.45Å; I147-F215 VanDerWaalsContact CG1-CE1 3.45Å; I147-F215 HydrophobicContact CG1-CE2 3.81Å; I147-F215 HydrophobicContact CG1-CG 3.42Å; I147-F215 VanDerWaalsContact CG1-CG 3.42Å; I147-F215 HydrophobicContact CG1-CZ 3.7Å; I210-F215 PolarHBondContact O-N 3.15Å; H211-F215 WeakPolarHBondContact CA-O 3.39Å; H211-F215 PolarHBondContact CD2-O 3.41Å; L213-F215 HydrophobicContact CB-CD2 3.62Å; L213-F215 HydrophobicContact CB-CE2 3.92Å; L213-F215 WeakPolarHBondContact O-CD2 3.38Å
216	I	85.6	Confident	90.2	Very high	35 Å²	35	27.9 Å²	27.9	18%	0.179	16%	0.155	C	C	.	.			trans	-122.8	129.4	172.6	-54.6	173.3	0	0	0	106.2	R218 C241 K308 D311	I216-R218 HydrophobicContact CB-CG 4.18Å; I216-R218 HydrophobicContact CG2-CG 3.67Å; I216-C241 WeakPolarHBondContact O-CA 3.43Å; I216-C241 WeakPolarHBondContact O-CB 3.49Å; I216-C241 PolarHBondContact O-SG 3.36Å; I216-K308 HydrophobicContact CD1-CB 4.1Å; I216-K308 HydrophobicContact CG1-CB 3.85Å; I216-D311 WeakPolarHBondContact CG2-OD2 3.41Å
217	H	87.9	Confident	90.2	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.155	C	C	.	.			trans	-73	-46.3	-173.3	-165.7	-55.4	0	0	0	112.5	I210 D219 I220 S236 D237 F238 D311	I210-H217 HydrophobicContact CD1-CB 3.7Å; H217-D219 PolarHBondContact CE1-O 3.17Å; H217-D219 PolarHBondContact ND1-N 2.98Å; H217-D219 PolarHBondContact O-N 3.3Å; H217-D219 VanDerWaalsContact O-N 3.11Å; H217-I220 HydrophobicContact CB-CD1 3.67Å; H217-I220 HydrophobicContact CB-CG1 3.81Å; H217-I220 WeakPolarHBondContact CD2-CD1 3.38Å; H217-I220 VanDerWaalsContact CG-CD1 3.4Å; H217-S236 PolarHBondContact NE2-O 2.99Å; H217-D237 PolarHBondContact CE1-O 3.49Å; H217-F238 AromaticContact CD2-CD1 3.79Å; H217-F238 AromaticContact CD2-CE1 3.66Å; H217-F238 AromaticContact NE2-CD1 3.98Å; H217-F238 AromaticContact NE2-CE1 3.94Å; H217-D311 PolarHBondContact N-OD2 3.21Å
218	R	85.8	Confident	90.2	Very high	62 Å²	62	29.1 Å²	29.1	23%	0.234	16%	0.161	C	C	.	.	S	Bend	trans	65.5	2.4	177.4	-49.1	177.2	-179.6	-174.6	1.9	116.5	I216 L240 C241 Y306 D311	I216-R218 HydrophobicContact CB-CG 4.18Å; I216-R218 HydrophobicContact CG2-CG 3.67Å; R218-L240 WeakPolarHBondContact CD-O 3.28Å; R218-C241 PolarHBondContact NE-O 3.27Å; R218-C241 VanDerWaalsContact NE-O 3.13Å; R218-C241 PolarHBondContact NH1-O 3.02Å; R218-Y306 VanDerWaalsContact CD-OH 3.3Å; R218-Y306 WeakPolarHBondContact CD-OH 3.29Å; R218-Y306 HydrophobicContact CG-CE2 4.16Å; R218-Y306 PolarHBondContact NE-OH 3.24Å; R218-Y306 PolarHBondContact NH1-OH 2.95Å; R218-D311 PolarHBondContact N-OD1 2.91Å
219	D	86.6	Confident	90.2	Very high	9 Å²	9	29.8 Å²	29.8	5%	0.048	17%	0.169	C	C	.	.			trans	-147.8	45.4	179.5	-161.4	32.4	0	0	0	109.9	H217 K221 N224 L240 H248	H217-D219 PolarHBondContact CE1-O 3.17Å; H217-D219 PolarHBondContact ND1-N 2.98Å; H217-D219 PolarHBondContact O-N 3.3Å; H217-D219 VanDerWaalsContact O-N 3.11Å; D219-K221 PolarHBondContact O-N 2.95Å; D219-K221 WeakPolarHBondContact OD1-CD 3.12Å; D219-K221 WeakPolarHBondContact OD1-CE 3.25Å; D219-K221 IonicContact OD1-NZ 3.7Å; D219-K221 WeakPolarHBondContact OD2-CE 3.48Å; D219-K221 IonicContact OD2-NZ 2.7Å; D219-K221 PolarHBondContact OD2-NZ 3.5Å; D219-N224 PolarHBondContact O-ND2 2.78Å; D219-N224 PolarHBondContact OD2-ND2 3.43Å; D219-L240 HydrophobicContact CB-CB 3.93Å; D219-L240 HydrophobicContact CB-CD1 3.71Å; D219-L240 HydrophobicContact CB-CG 4.1Å; D219-L240 VanDerWaalsContact OD2-CD1 3.29Å; D219-L240 WeakPolarHBondContact OD2-CD1 3.49Å; D219-H248 IonicContact OD1-CE1 2.75Å
220	I	93.1	Very high	90.3	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.19	C	C	.	.			trans	-73.6	118.6	173.9	-66	-63.7	0	0	0	108.2	I207 H217 L235 Y295 D311 S314 I318	I207-I220 HydrophobicContact CD1-CD1 4.06Å; I207-I220 HydrophobicContact CD1-CG1 4.06Å; I207-I220 HydrophobicContact CD1-CG2 4.14Å; I207-I220 HydrophobicContact CG1-CD1 3.91Å; I207-I220 HydrophobicContact CG1-CG1 4.34Å; H217-I220 HydrophobicContact CB-CD1 3.67Å; H217-I220 HydrophobicContact CB-CG1 3.81Å; H217-I220 WeakPolarHBondContact CD2-CD1 3.38Å; H217-I220 VanDerWaalsContact CG-CD1 3.4Å; I220-L235 HydrophobicContact CD1-CD2 3.97Å; I220-Y295 WeakPolarHBondContact O-CB 3.36Å; I220-D311 HydrophobicContact CG1-CB 4.07Å; I220-S314 WeakPolarHBondContact O-CB 3.25Å; I220-I318 HydrophobicContact CG2-CD1 3.59Å
221	K	92.3	Very high	90.6	Very high	13 Å²	13	35.6 Å²	35.6	6%	0.057	19%	0.19	C	C	.	.	S	Bend	trans	-165.2	162.1	-177.4	56	-176.3	176.4	165.1	0	109	D219 D223 N224 Y295	D219-K221 PolarHBondContact O-N 2.95Å; D219-K221 WeakPolarHBondContact OD1-CD 3.12Å; D219-K221 WeakPolarHBondContact OD1-CE 3.25Å; D219-K221 IonicContact OD1-NZ 3.7Å; D219-K221 WeakPolarHBondContact OD2-CE 3.48Å; D219-K221 IonicContact OD2-NZ 2.7Å; D219-K221 PolarHBondContact OD2-NZ 3.5Å; K221-D223 VanDerWaalsContact C-N 3.31Å; K221-D223 WeakPolarHBondContact CD-OD1 3.43Å; K221-D223 WeakPolarHBondContact CD-OD2 3.36Å; K221-D223 VanDerWaalsContact CE-CG 3.48Å; K221-D223 WeakPolarHBondContact CE-OD2 3.35Å; K221-D223 WeakPolarHBondContact CG-OD1 3.44Å; K221-D223 IonicContact NZ-OD2 2.73Å; K221-D223 PolarHBondContact NZ-OD2 3.43Å; K221-D223 PolarHBondContact O-N 3.43Å; K221-N224 WeakPolarHBondContact CE-ND2 3.29Å; K221-N224 WeakPolarHBondContact CE-OD1 3.43Å; K221-N224 HydrophobicContact CG-CB 4.26Å; K221-N224 PolarHBondContact O-N 3.07Å; K221-Y295 HydrophobicContact CB-CD1 4.28Å; K221-Y295 HydrophobicContact CB-CD2 3.59Å; K221-Y295 HydrophobicContact CB-CE2 3.85Å; K221-Y295 HydrophobicContact CB-CG 3.83Å
222	P	93.7	Very high	90.9	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-64.7	-27.1	-170	-27.9	40.4	0	0	0	115.3	M181 M182 L185 N224 L225 R282 Y295 I318	M181-P222 HydrophobicContact CB-CB 4.05Å; M181-P222 WeakPolarHBondContact CB-O 3.35Å; M181-P222 HydrophobicContact CG-CB 4.03Å; M181-P222 PolarHBondContact N-O 3.25Å; M182-P222 HydrophobicContact CB-CB 3.91Å; M182-P222 PolarHBondContact N-O 3.38Å; L185-P222 HydrophobicContact CD1-CB 4.24Å; L185-P222 HydrophobicContact CD1-CG 4.29Å; P222-N224 PolarHBondContact O-N 3.44Å; P222-L225 PolarHBondContact O-N 2.96Å; P222-R282 VanDerWaalsContact CG-NH2 3.29Å; P222-Y295 HydrophobicContact CG-CE1 4.22Å; P222-I318 HydrophobicContact CG-CD1 4.42Å; P222-I318 HydrophobicContact CG-CG1 4.03Å; P222-I318 HydrophobicContact CG-CG2 4.3Å
223	D	88.7	Confident	91.3	Very high	40 Å²	40	28.2 Å²	28.2	21%	0.214	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-68.7	-20.8	174	48.6	-61.5	0	0	0	113.7	M182 K221	M182-D223 HydrophobicContact CB-CB 4.31Å; M182-D223 HydrophobicContact SD-CB 4.26Å; K221-D223 VanDerWaalsContact C-N 3.31Å; K221-D223 WeakPolarHBondContact CD-OD1 3.43Å; K221-D223 WeakPolarHBondContact CD-OD2 3.36Å; K221-D223 VanDerWaalsContact CE-CG 3.48Å; K221-D223 WeakPolarHBondContact CE-OD2 3.35Å; K221-D223 WeakPolarHBondContact CG-OD1 3.44Å; K221-D223 IonicContact NZ-OD2 2.73Å; K221-D223 PolarHBondContact NZ-OD2 3.43Å; K221-D223 PolarHBondContact O-N 3.43Å
224	N	92	Very high	91.9	Very high	4 Å²	4	25.4 Å²	25.4	2%	0.021	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-94.7	-5.7	178.4	-73.7	-4.2	0	0	0	113.2	D219 K221 P222 S236	D219-N224 PolarHBondContact O-ND2 2.78Å; D219-N224 PolarHBondContact OD2-ND2 3.43Å; K221-N224 WeakPolarHBondContact CE-ND2 3.29Å; K221-N224 WeakPolarHBondContact CE-OD1 3.43Å; K221-N224 HydrophobicContact CG-CB 4.26Å; K221-N224 PolarHBondContact O-N 3.07Å; P222-N224 PolarHBondContact O-N 3.44Å; N224-S236 PolarHBondContact O-N 3.26Å; N224-S236 PolarHBondContact O-OG 3.45Å
225	L	95.8	Very high	92.4	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	103	173.9	-54.7	-174.9	0	0	0	109.2	D180 M181 T203 P222 V233 L235 I318	D180-L225 CarbonylContact C-O 3.57Å; D180-L225 WeakPolarHBondContact CA-O 3.39Å; M181-L225 HydrophobicContact CB-CB 3.84Å; M181-L225 HydrophobicContact CB-CD1 4.5Å; M181-L225 PolarHBondContact N-O 2.71Å; T203-L225 HydrophobicContact CG2-CD1 4.21Å; T203-L225 HydrophobicContact CG2-CD2 3.95Å; P222-L225 PolarHBondContact O-N 2.96Å; L225-V233 HydrophobicContact CB-CG1 4.4Å; L225-V233 HydrophobicContact CD2-CG1 4.4Å; L225-L235 HydrophobicContact CD2-CD2 3.35Å; L225-I318 HydrophobicContact CD1-CD1 4Å; L225-I318 HydrophobicContact CD1-CG2 4.49Å
226	L	95.9	Very high	92.7	Very high	38 Å²	38	21 Å²	21	20%	0.199	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	154.7	179.8	-58	-173	0	0	0	111.7	V157 L176 G179 D180 V233 K234 S236	V157-L226 HydrophobicContact CG2-CD1 3.9Å; L176-L226 HydrophobicContact CB-CB 4.44Å; L176-L226 HydrophobicContact CD1-CB 3.56Å; L176-L226 HydrophobicContact CD1-CD1 4Å; L176-L226 HydrophobicContact CD1-CG 4.44Å; G179-L226 CarbonylContact O-C 3.48Å; G179-L226 WeakPolarHBondContact O-CA 3.32Å; D180-L226 HydrophobicContact CB-CD2 3.68Å; L226-V233 CarbonylContact O-C 3.53Å; L226-V233 WeakPolarHBondContact O-CA 3.24Å; L226-K234 PolarHBondContact N-O 3.34Å; L226-K234 PolarHBondContact O-N 3.31Å; L226-S236 WeakPolarHBondContact CG-OG 3.34Å
227	L	96.6	Very high	92.3	Very high	1 Å²	1	22 Å²	22	1%	0.005	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	126	179.1	-60	176.1	0	0	0	110.4	L176 G178 G179 M181 L184 Y199 H232 V233 I406	L176-L227 WeakPolarHBondContact CB-O 3.48Å; G178-L227 WeakPolarHBondContact CA-O 3.1Å; G178-L227 PolarHBondContact N-O 2.83Å; G179-L227 PolarHBondContact O-N 2.76Å; M181-L227 HydrophobicContact CE-CD2 4.23Å; L184-L227 HydrophobicContact CD2-CD1 3.76Å; Y199-L227 HydrophobicContact CD1-CD2 4.43Å; Y199-L227 HydrophobicContact CE1-CD2 3.84Å; L227-H232 WeakPolarHBondContact CA-O 3.33Å; L227-V233 HydrophobicContact CD2-CG2 4.13Å; L227-I406 HydrophobicContact CB-CD1 4.36Å; L227-I406 HydrophobicContact CD1-CD1 4.12Å
228	D	94.8	Very high	91.5	Very high	24 Å²	24	22 Å²	22	13%	0.128	11%	0.11	C	C	.	.			trans	-72.5	177.6	173.8	72.6	23.8	0	0	0	112.4	L176 K230 G231 H232 R398	L176-D228 HydrophobicContact CD2-CB 3.94Å; D228-K230 PolarHBondContact O-N 2.95Å; D228-K230 WeakPolarHBondContact OD1-CA 3.24Å; D228-K230 WeakPolarHBondContact OD1-CB 3.18Å; D228-K230 PolarHBondContact OD1-N 3.47Å; D228-G231 PolarHBondContact O-N 2.82Å; D228-G231 PolarHBondContact OD1-N 3.37Å; D228-H232 PolarHBondContact N-O 3.07Å; D228-H232 IonicContact OD1-CD2 3.76Å; D228-H232 PolarHBondContact OD1-N 3.5Å; D228-R398 IonicContact OD2-NH2 2.81Å; D228-R398 PolarHBondContact OD2-NH2 3.11Å
229	A	94.2	Very high	90.2	Very high	31 Å²	31	19.5 Å²	19.5	26%	0.256	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-15.3	-178.4	0	0	0	0	0	114.4	P177 I408	P177-A229 HydrophobicContact CG-CB 3.77Å; A229-I408 HydrophobicContact CB-CD1 3.84Å
230	K	94.5	Very high	88.6	Confident	149 Å²	149	19.6 Å²	19.6	65%	0.648	10%	0.104	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.4	-7.4	176.7	-67.6	-179.6	179.8	-175.2	0	112.4	D228 A402	D228-K230 PolarHBondContact O-N 2.95Å; D228-K230 WeakPolarHBondContact OD1-CA 3.24Å; D228-K230 WeakPolarHBondContact OD1-CB 3.18Å; D228-K230 PolarHBondContact OD1-N 3.47Å; K230-A402 VanDerWaalsContact O-CB 3.27Å; K230-A402 WeakPolarHBondContact O-CB 3.39Å
231	G	95.7	Very high	86.7	Confident	0 Å²	0	20 Å²	20	0%	0	11%	0.106	C	C	.	.	S	Bend	trans	92.6	12.3	-179.7	0	0	0	0	0	115.1	D228 A402 I406	D228-G231 PolarHBondContact O-N 2.82Å; D228-G231 PolarHBondContact OD1-N 3.37Å; G231-A402 WeakPolarHBondContact O-CB 3.38Å; G231-I406 VanDerWaalsContact CA-CG1 3.46Å
232	H	97.4	Very high	84.5	Confident	4 Å²	4	22.5 Å²	22.5	2%	0.019	12%	0.123	C	C	.	.			trans	-87.7	149	176.1	-62.3	-87.4	0	0	0	112	F198 E202 L227 D228 R398 R400	F198-H232 AromaticContact CZ-CE1 3.89Å; F198-H232 AromaticContact CZ-ND1 3.61Å; E202-H232 IonicContact OE1-CE1 3.7Å; E202-H232 IonicContact OE1-CG 3.12Å; E202-H232 IonicContact OE1-ND1 3.41Å; E202-H232 PolarHBondContact OE1-ND1 3.4Å; E202-H232 VanDerWaalsContact OE2-CA 3.3Å; E202-H232 WeakPolarHBondContact OE2-CA 3.45Å; E202-H232 IonicContact OE2-ND1 3.76Å; L227-H232 WeakPolarHBondContact CA-O 3.33Å; D228-H232 PolarHBondContact N-O 3.07Å; D228-H232 IonicContact OD1-CD2 3.76Å; D228-H232 PolarHBondContact OD1-N 3.5Å; H232-R398 HydrophobicContact CB-CG 4.27Å; H232-R398 PolarHBondContact CE1-O 3.06Å; H232-R398 PolarHBondContact NE2-O 3.48Å; H232-R400 PolarHBondContact CE1-O 3.35Å; H232-R400 PolarHBondContact NE2-O 2.95Å; H232-R400 VanDerWaalsContact NE2-O 3.14Å
233	V	97	Very high	82.2	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	140.5	-176.2	178.6	0	0	0	0	111.4	Y199 E202 L225 L226 L227 R398	Y199-V233 HydrophobicContact CD1-CG2 3.69Å; Y199-V233 HydrophobicContact CE1-CG2 4.38Å; E202-V233 HydrophobicContact CB-CB 4.08Å; E202-V233 HydrophobicContact CB-CG2 4.07Å; E202-V233 PolarHBondContact OE2-N 3.44Å; L225-V233 HydrophobicContact CB-CG1 4.4Å; L225-V233 HydrophobicContact CD2-CG1 4.4Å; L226-V233 CarbonylContact O-C 3.53Å; L226-V233 WeakPolarHBondContact O-CA 3.24Å; L227-V233 HydrophobicContact CD2-CG2 4.13Å; V233-R398 PolarHBondContact O-NH1 3.32Å; V233-R398 PolarHBondContact O-NH2 3.17Å
234	K	95.9	Very high	80	Confident	15 Å²	15	22.2 Å²	22.2	7%	0.065	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	137.8	162.5	-69.9	-171.6	168.8	-163.2	0	110.2	G153 A154 W155 V157 E174 L176 L226	G153-K234 VanDerWaalsContact O-CE 3.22Å; G153-K234 WeakPolarHBondContact O-CE 3.27Å; G153-K234 PolarHBondContact O-NZ 3.11Å; A154-K234 WeakPolarHBondContact O-CE 3.44Å; W155-K234 CarbonylContact O-C 3.47Å; W155-K234 WeakPolarHBondContact O-CA 3Å; V157-K234 HydrophobicContact CG2-CB 4.31Å; E174-K234 IonicContact OE1-NZ 3.64Å; E174-K234 PolarHBondContact OE1-NZ 3.12Å; E174-K234 IonicContact OE2-NZ 2.64Å; E174-K234 PolarHBondContact OE2-NZ 3.26Å; L176-K234 HydrophobicContact CD1-CB 3.83Å; L176-K234 HydrophobicContact CD1-CD 3.84Å; L176-K234 HydrophobicContact CD1-CG 4.29Å; L176-K234 HydrophobicContact CD2-CD 4.06Å; L226-K234 PolarHBondContact N-O 3.34Å; L226-K234 PolarHBondContact O-N 3.31Å
235	L	93.8	Very high	78.3	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	138.7	174.4	-65.1	177.6	0	0	0	111	W155 V157 A206 I207 I210 I220 L225 F238	W155-L235 PolarHBondContact O-N 3.23Å; V157-L235 WeakPolarHBondContact CG2-O 3.16Å; V157-L235 PolarHBondContact N-O 3.21Å; A206-L235 HydrophobicContact CB-CD1 3.72Å; A206-L235 HydrophobicContact CB-CD2 4.43Å; A206-L235 HydrophobicContact CB-CG 3.75Å; A206-L235 WeakPolarHBondContact O-CD1 3.49Å; I207-L235 HydrophobicContact CG1-CD1 4.43Å; I210-L235 HydrophobicContact CD1-CD1 3.88Å; I210-L235 HydrophobicContact CG1-CD1 4.38Å; I210-L235 HydrophobicContact CG2-CD1 4.4Å; I220-L235 HydrophobicContact CD1-CD2 3.97Å; L225-L235 HydrophobicContact CD2-CD2 3.35Å; L235-F238 HydrophobicContact CB-CE1 4.14Å; L235-F238 HydrophobicContact CB-CZ 3.73Å
236	S	89.3	Confident	76.2	Confident	15 Å²	15	30.1 Å²	30.1	11%	0.105	16%	0.159	C	C	.	.			trans	-133	166.3	176.3	72.3	0	0	0	0	111.2	H217 N224 L226	H217-S236 PolarHBondContact NE2-O 2.99Å; N224-S236 PolarHBondContact O-N 3.26Å; N224-S236 PolarHBondContact O-OG 3.45Å; L226-S236 WeakPolarHBondContact CG-OG 3.34Å
237	D	77.5	Confident	74.1	Confident	56 Å²	56	28.3 Å²	28.3	30%	0.299	15%	0.15	S	C	.	.			trans	58	67.6	174	-156.1	14.7	0	0	0	115.5	K125 H217 G239	K125-D237 IonicContact NZ-OD1 3.54Å; K125-D237 PolarHBondContact NZ-OD1 3.41Å; H217-D237 PolarHBondContact CE1-O 3.49Å; D237-G239 PolarHBondContact O-N 3.07Å; D237-G239 VanDerWaalsContact O-N 3.15Å
238	F	70.9	Confident	72.2	Confident	1 Å²	1	28.7 Å²	28.7	0%	0.004	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-77.5	12.7	173	-55.2	-80.7	0	0	0	113.5	E144 I147 L148 V156 I210 H217 L235 L240 C241	E144-F238 HydrophobicContact CB-CB 4.24Å; E144-F238 HydrophobicContact CG-CB 4.15Å; I147-F238 HydrophobicContact CB-CG 4.33Å; I147-F238 HydrophobicContact CD1-CB 3.79Å; I147-F238 HydrophobicContact CD1-CD1 4.09Å; I147-F238 HydrophobicContact CD1-CG 4.07Å; I147-F238 HydrophobicContact CG2-CD1 3.86Å; I147-F238 HydrophobicContact CG2-CD2 3.96Å; I147-F238 HydrophobicContact CG2-CE1 4.01Å; I147-F238 HydrophobicContact CG2-CE2 4.15Å; I147-F238 HydrophobicContact CG2-CG 3.83Å; I147-F238 HydrophobicContact CG2-CZ 4.17Å; L148-F238 HydrophobicContact CD2-CD2 3.98Å; L148-F238 HydrophobicContact CD2-CE2 3.82Å; L148-F238 HydrophobicContact CG-CD2 4.16Å; L148-F238 HydrophobicContact CG-CE2 4.46Å; V156-F238 HydrophobicContact CB-CZ 4.16Å; V156-F238 HydrophobicContact CG1-CE2 3.36Å; V156-F238 HydrophobicContact CG1-CZ 3.41Å; V156-F238 VanDerWaalsContact CG1-CZ 3.41Å; V156-F238 HydrophobicContact CG2-CE1 4.49Å; V156-F238 HydrophobicContact CG2-CZ 3.79Å; I210-F238 HydrophobicContact CD1-CE1 4.28Å; I210-F238 HydrophobicContact CG2-CE1 4.12Å; H217-F238 AromaticContact CD2-CD1 3.79Å; H217-F238 AromaticContact CD2-CE1 3.66Å; H217-F238 AromaticContact NE2-CD1 3.98Å; H217-F238 AromaticContact NE2-CE1 3.94Å; L235-F238 HydrophobicContact CB-CE1 4.14Å; L235-F238 HydrophobicContact CB-CZ 3.73Å; F238-L240 PolarHBondContact O-N 3.27Å; F238-C241 WeakPolarHBondContact O-CB 2.9Å; F238-C241 PolarHBondContact O-N 3.17Å; F238-C241 VanDerWaalsContact O-N 3.1Å; F238-C241 PolarHBondContact O-SG 3.01Å
239	G	58.8	Low	70.7	Confident	10 Å²	10	32 Å²	32	10%	0.103	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-64.8	-9.2	-175.6	0	0	0	0	0	114.6	H140 D237	H140-G239 WeakPolarHBondContact CB-O 3.42Å; H140-G239 PolarHBondContact ND1-O 3.31Å; H140-G239 VanDerWaalsContact ND1-O 3.15Å; D237-G239 PolarHBondContact O-N 3.07Å; D237-G239 VanDerWaalsContact O-N 3.15Å
240	L	53	Low	69.2	Low	10 Å²	10	32.9 Å²	32.9	5%	0.052	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-110.1	7.1	175	-54.2	-170.1	0	0	0	114	R218 D219 F238 T242 G243 L244 K245	R218-L240 WeakPolarHBondContact CD-O 3.28Å; D219-L240 HydrophobicContact CB-CB 3.93Å; D219-L240 HydrophobicContact CB-CD1 3.71Å; D219-L240 HydrophobicContact CB-CG 4.1Å; D219-L240 VanDerWaalsContact OD2-CD1 3.29Å; D219-L240 WeakPolarHBondContact OD2-CD1 3.49Å; F238-L240 PolarHBondContact O-N 3.27Å; L240-T242 PolarHBondContact O-N 3.01Å; L240-G243 WeakPolarHBondContact CA-O 3.09Å; L240-G243 WeakPolarHBondContact CB-O 3.21Å; L240-G243 WeakPolarHBondContact CD2-O 3.5Å; L240-G243 PolarHBondContact O-N 3.22Å; L240-L244 HydrophobicContact CD1-CD2 4.23Å; L240-K245 HydrophobicContact CD1-CG 4.28Å
241	C	53	Low	68	Low	8 Å²	8	31.4 Å²	31.4	5%	0.054	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-12.4	175.5	-71.7	0	0	0	0	113.8	A143 I147 I216 R218 F238	A143-C241 HydrophobicContact CB-CB 4.5Å; I147-C241 HydrophobicContact CD1-CB 4.03Å; I147-C241 WeakPolarHBondContact CD1-SG 3.22Å; I216-C241 WeakPolarHBondContact O-CA 3.43Å; I216-C241 WeakPolarHBondContact O-CB 3.49Å; I216-C241 PolarHBondContact O-SG 3.36Å; R218-C241 PolarHBondContact NE-O 3.27Å; R218-C241 VanDerWaalsContact NE-O 3.13Å; R218-C241 PolarHBondContact NH1-O 3.02Å; F238-C241 WeakPolarHBondContact O-CB 2.9Å; F238-C241 PolarHBondContact O-N 3.17Å; F238-C241 VanDerWaalsContact O-N 3.1Å; F238-C241 PolarHBondContact O-SG 3.01Å
242	T	47.1	Very low	66.6	Low	66 Å²	66	35 Å²	35	41%	0.405	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-129.9	5.2	173.8	44.2	0	0	0	0	115.9	H140 A143 L240	H140-T242 WeakPolarHBondContact CA-OG1 3.46Å; H140-T242 PolarHBondContact CD2-OG1 3.24Å; H140-T242 VanDerWaalsContact NE2-C 3.31Å; H140-T242 PolarHBondContact NE2-O 2.87Å; A143-T242 HydrophobicContact CB-CG2 4.34Å; L240-T242 PolarHBondContact O-N 3.01Å
243	G	44	Very low	65.2	Low	16 Å²	16	35 Å²	35	17%	0.165	18%	0.176	C	C	.	.			trans	166.5	164.3	175.5	0	0	0	0	0	114.6	H140 L240	H140-G243 VanDerWaalsContact CE1-C 3.43Å; H140-G243 WeakPolarHBondContact CE1-CA 3.43Å; H140-G243 PolarHBondContact CE1-O 2.87Å; H140-G243 WeakPolarHBondContact NE2-CA 3.45Å; H140-G243 PolarHBondContact NE2-N 2.93Å; L240-G243 WeakPolarHBondContact CA-O 3.09Å; L240-G243 WeakPolarHBondContact CB-O 3.21Å; L240-G243 WeakPolarHBondContact CD2-O 3.5Å; L240-G243 PolarHBondContact O-N 3.22Å
244	L	44	Very low	63.9	Low	19 Å²	19	42.5 Å²	42.5	10%	0.099	20%	0.204	C	C	.	.			trans	-116.8	153.1	-150.5	-84.2	178.7	0	0	0	113.5	L240 H248 R249 V300	L240-L244 HydrophobicContact CD1-CD2 4.23Å; L244-H248 HydrophobicContact CB-CB 3.38Å; L244-H248 HydrophobicContact CD1-CB 4.08Å; L244-H248 WeakPolarHBondContact CD1-O 3.09Å; L244-H248 HydrophobicContact CD2-CB 3.81Å; L244-H248 HydrophobicContact CG-CB 3.89Å; L244-R249 HydrophobicContact CB-CG 4.46Å; L244-R249 PolarHBondContact O-NE 3.37Å; L244-V300 HydrophobicContact CD1-CG1 3.36Å
245	K	54.7	Low	62.7	Low	30 Å²	30	49.3 Å²	49.3	13%	0.13	24%	0.241	C	C	.	.			trans	-52.4	164.8	170.3	-66.1	-173.4	177.6	-172.5	0	111	L240 A247 H248 R249 S288	L240-K245 HydrophobicContact CD1-CG 4.28Å; K245-A247 PolarHBondContact O-N 2.75Å; K245-H248 HydrophobicContact CB-CB 4.2Å; K245-H248 CarbonylContact O-C 3.55Å; K245-H248 VanDerWaalsContact O-CA 3.31Å; K245-H248 WeakPolarHBondContact O-CA 3.13Å; K245-H248 VanDerWaalsContact O-CB 3.24Å; K245-H248 WeakPolarHBondContact O-CB 3.34Å; K245-H248 PolarHBondContact O-N 3.04Å; K245-R249 PolarHBondContact O-N 2.54Å; K245-R249 VanDerWaalsContact O-N 3.07Å; K245-S288 PolarHBondContact NZ-O 3.02Å
246	K	53.4	Low	61.5	Low	140 Å²	140	51.4 Å²	51.4	61%	0.609	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-55	-47	-176.3	-80.2	-171	179.4	-178.4	0	113.1	H248 R249 F252	K246-H248 PolarHBondContact O-N 3.13Å; K246-R249 PolarHBondContact O-N 3.09Å; K246-F252 VanDerWaalsContact O-CB 3.23Å; K246-F252 WeakPolarHBondContact O-CB 3.36Å
247	A	51.4	Low	60.4	Low	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-75.2	-1.4	175.6	0	0	0	0	0	113.8	K245 F252 Y253 V290 P334	K245-A247 PolarHBondContact O-N 2.75Å; A247-F252 HydrophobicContact CB-CD1 4.4Å; A247-F252 HydrophobicContact CB-CE1 4.34Å; A247-Y253 WeakPolarHBondContact CB-OH 3.01Å; A247-Y253 WeakPolarHBondContact O-CE2 3.32Å; A247-Y253 VanDerWaalsContact O-CZ 3.29Å; A247-Y253 PolarHBondContact O-OH 3.22Å; A247-V290 HydrophobicContact CB-CG1 3.8Å; A247-V290 WeakPolarHBondContact CB-O 3.03Å; A247-V290 PolarHBondContact N-O 3.43Å; A247-P334 HydrophobicContact CB-CB 4.21Å
248	H	55.8	Low	59.9	Low	9 Å²	9	56.6 Å²	56.6	4%	0.042	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-100	-10.8	173.8	-58	-177.2	0	0	0	110.7	D219 L244 K245 K246 T292 I296	D219-H248 IonicContact OD1-CE1 2.75Å; L244-H248 HydrophobicContact CB-CB 3.38Å; L244-H248 HydrophobicContact CD1-CB 4.08Å; L244-H248 WeakPolarHBondContact CD1-O 3.09Å; L244-H248 HydrophobicContact CD2-CB 3.81Å; L244-H248 HydrophobicContact CG-CB 3.89Å; K245-H248 HydrophobicContact CB-CB 4.2Å; K245-H248 CarbonylContact O-C 3.55Å; K245-H248 VanDerWaalsContact O-CA 3.31Å; K245-H248 WeakPolarHBondContact O-CA 3.13Å; K245-H248 VanDerWaalsContact O-CB 3.24Å; K245-H248 WeakPolarHBondContact O-CB 3.34Å; K245-H248 PolarHBondContact O-N 3.04Å; K246-H248 PolarHBondContact O-N 3.13Å; H248-T292 PolarHBondContact NE2-O 3.42Å; H248-I296 HydrophobicContact CB-CD1 3.41Å; H248-I296 VanDerWaalsContact CB-CD1 3.41Å; H248-I296 WeakPolarHBondContact CD2-CD1 3.45Å
249	R	64.4	Low	60	Low	93 Å²	93	61.2 Å²	61.2	35%	0.351	30%	0.303	S	S	.	.	S	Bend	trans	-83.5	133.1	175.3	-65.3	179.6	-173.2	-164	-1.8	110.8	L244 K245 K246 E251 F252	L244-R249 HydrophobicContact CB-CG 4.46Å; L244-R249 PolarHBondContact O-NE 3.37Å; K245-R249 PolarHBondContact O-N 2.54Å; K245-R249 VanDerWaalsContact O-N 3.07Å; K246-R249 PolarHBondContact O-N 3.09Å; R249-E251 PolarHBondContact O-N 3.07Å; R249-E251 VanDerWaalsContact O-N 3.08Å; R249-F252 WeakPolarHBondContact O-CB 3.31Å; R249-F252 PolarHBondContact O-N 2.8Å
250	T	61.8	Low	60.6	Low	50 Å²	50	64.9 Å²	64.9	31%	0.307	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-51.8	-34.2	173.9	-48.6	0	0	0	0	113	F252 Y253 R254 F301	T250-F252 PolarHBondContact O-N 2.73Å; T250-Y253 PolarHBondContact O-N 3.14Å; T250-Y253 VanDerWaalsContact O-N 3.12Å; T250-R254 PolarHBondContact O-N 2.98Å; T250-F301 WeakPolarHBondContact CG2-O 3.48Å
251	E	68.4	Low	61.6	Low	117 Å²	117	65 Å²	65	55%	0.547	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-60.1	-31.9	-179.8	-51.8	-159.7	121.5	0	0	113.6	R249 Y253 R254	R249-E251 PolarHBondContact O-N 3.07Å; R249-E251 VanDerWaalsContact O-N 3.08Å; E251-Y253 PolarHBondContact O-N 3.32Å; E251-R254 WeakPolarHBondContact O-CB 3.39Å; E251-R254 PolarHBondContact O-N 3.37Å; E251-R254 IonicContact OE1-CZ 3.88Å; E251-R254 IonicContact OE1-NH1 2.82Å; E251-R254 IonicContact OE1-NH2 2.76Å; E251-R254 PolarHBondContact OE1-NH2 3.15Å
252	F	66.5	Low	62.7	Low	77 Å²	77	68.2 Å²	68.2	34%	0.338	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-64.3	-27.4	179.7	-175.3	-95.9	0	0	0	112.2	K246 A247 R249 T250 V290	K246-F252 VanDerWaalsContact O-CB 3.23Å; K246-F252 WeakPolarHBondContact O-CB 3.36Å; A247-F252 HydrophobicContact CB-CD1 4.4Å; A247-F252 HydrophobicContact CB-CE1 4.34Å; R249-F252 WeakPolarHBondContact O-CB 3.31Å; R249-F252 PolarHBondContact O-N 2.8Å; T250-F252 PolarHBondContact O-N 2.73Å; F252-V290 HydrophobicContact CZ-CG1 4.36Å
253	Y	69.3	Low	64.2	Low	3 Å²	3	65.9 Å²	65.9	1%	0.012	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-105.1	5.5	-179.7	-53.3	-75.6	0	0	0	113.7	A247 T250 E251 N255 L256 P293 F301 Y338	A247-Y253 WeakPolarHBondContact CB-OH 3.01Å; A247-Y253 WeakPolarHBondContact O-CE2 3.32Å; A247-Y253 VanDerWaalsContact O-CZ 3.29Å; A247-Y253 PolarHBondContact O-OH 3.22Å; T250-Y253 PolarHBondContact O-N 3.14Å; T250-Y253 VanDerWaalsContact O-N 3.12Å; E251-Y253 PolarHBondContact O-N 3.32Å; Y253-N255 PolarHBondContact O-N 3.23Å; Y253-L256 HydrophobicContact CD1-CD2 4.35Å; Y253-L256 WeakPolarHBondContact O-CB 3.47Å; Y253-L256 PolarHBondContact O-N 2.78Å; Y253-P293 WeakPolarHBondContact OH-CG 3.45Å; Y253-F301 HydrophobicContact CD2-CD1 4.02Å; Y253-F301 HydrophobicContact CD2-CE1 4.04Å; Y253-F301 HydrophobicContact CE2-CD1 4.12Å; Y253-F301 AromaticContact CE2-CE1 3.66Å; Y253-F301 HydrophobicContact CE2-CE1 3.66Å; Y253-F301 HydrophobicContact CE2-CZ 4.4Å; Y253-Y338 AromaticContact CD1-CD1 3.81Å; Y253-Y338 HydrophobicContact CD1-CD1 3.81Å; Y253-Y338 AromaticContact CD1-CD2 3.89Å; Y253-Y338 HydrophobicContact CD1-CD2 3.89Å; Y253-Y338 HydrophobicContact CD1-CE1 4.33Å; Y253-Y338 HydrophobicContact CD1-CE2 4.39Å; Y253-Y338 AromaticContact CD1-CG 3.54Å; Y253-Y338 HydrophobicContact CD1-CG 3.54Å; Y253-Y338 AromaticContact CD2-CD2 3.75Å; Y253-Y338 HydrophobicContact CD2-CD2 3.75Å; Y253-Y338 AromaticContact CD2-CE2 3.93Å; Y253-Y338 HydrophobicContact CD2-CE2 3.93Å; Y253-Y338 HydrophobicContact CD2-CG 4.28Å; Y253-Y338 VanDerWaalsContact CE1-CB 3.49Å; Y253-Y338 HydrophobicContact CE1-CD1 4.4Å; Y253-Y338 HydrophobicContact CE1-CD2 4.14Å; Y253-Y338 AromaticContact CE1-CG 3.76Å; Y253-Y338 HydrophobicContact CE1-CG 3.76Å; Y253-Y338 AromaticContact CE2-CD2 3.99Å; Y253-Y338 HydrophobicContact CE2-CD2 3.99Å; Y253-Y338 HydrophobicContact CE2-CG 4.45Å; Y253-Y338 HydrophobicContact CG-CD1 4.13Å; Y253-Y338 AromaticContact CG-CD2 3.69Å; Y253-Y338 HydrophobicContact CG-CD2 3.69Å; Y253-Y338 HydrophobicContact CG-CE1 4.25Å; Y253-Y338 AromaticContact CG-CE2 3.82Å; Y253-Y338 HydrophobicContact CG-CE2 3.82Å; Y253-Y338 AromaticContact CG-CG 3.83Å; Y253-Y338 HydrophobicContact CG-CG 3.83Å
254	R	69.3	Low	65.7	Low	158 Å²	158	71.8 Å²	71.8	60%	0.596	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-31.6	-172.7	-173.2	-177.8	-74	149.8	-0.9	113.9	T250 E251	T250-R254 PolarHBondContact O-N 2.98Å; E251-R254 WeakPolarHBondContact O-CB 3.39Å; E251-R254 PolarHBondContact O-N 3.37Å; E251-R254 IonicContact OE1-CZ 3.88Å; E251-R254 IonicContact OE1-NH1 2.82Å; E251-R254 IonicContact OE1-NH2 2.76Å; E251-R254 PolarHBondContact OE1-NH2 3.15Å
255	N	70.7	Confident	67.1	Low	157 Å²	157	75.3 Å²	75.3	84%	0.84	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.9	3.9	-179.1	-62	-17.4	0	0	0	113.4	Y253	Y253-N255 PolarHBondContact O-N 3.23Å
256	L	68.4	Low	68.2	Low	45 Å²	45	74.2 Å²	74.2	24%	0.236	38%	0.377	C	S	.	.			trans	-88.8	127	177.6	-117.1	78	0	0	0	109.9	Y253 Q335 Y338	Y253-L256 HydrophobicContact CD1-CD2 4.35Å; Y253-L256 WeakPolarHBondContact O-CB 3.47Å; Y253-L256 PolarHBondContact O-N 2.78Å; L256-Q335 HydrophobicContact CD1-CG 4.21Å; L256-Q335 HydrophobicContact CD2-CB 3.72Å; L256-Q335 HydrophobicContact CD2-CG 3.83Å; L256-Y338 HydrophobicContact CB-CE1 4.48Å; L256-Y338 HydrophobicContact CD2-CD1 4.19Å
257	T	66.4	Low	69.2	Low	80 Å²	80	70.6 Å²	70.6	49%	0.491	36%	0.362	S	S	.	.			trans	-72.8	143.1	169.7	54.7	0	0	0	0	110.1	N259	T257-N259 PolarHBondContact O-N 2.99Å; T257-N259 PolarHBondContact OG1-ND2 3.2Å
258	H	67.6	Low	70.6	Confident	100 Å²	100	77.1 Å²	77.1	46%	0.463	40%	0.397	S	S	.	.			trans	-71.4	23.8	175.1	-64.7	-73.9	0	0	0	113.9	Y338 N343	H258-Y338 AromaticContact CE1-CZ 3.8Å; H258-Y338 PolarHBondContact CE1-OH 3.01Å; H258-N343 PolarHBondContact O-ND2 3.34Å
259	N	72.6	Confident	71.9	Confident	97 Å²	97	79 Å²	79	52%	0.519	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-58.6	154.8	177.8	-67.8	-11.3	0	0	0	110.1	T257 R339	T257-N259 PolarHBondContact O-N 2.99Å; T257-N259 PolarHBondContact OG1-ND2 3.2Å; N259-R339 VanDerWaalsContact O-CD 3.3Å; N259-R339 WeakPolarHBondContact O-CD 3.42Å
260	P	70.5	Confident	72.9	Confident	87 Å²	87	78.3 Å²	78.3	57%	0.565	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-53.2	149.2	174.4	-24.6	33.3	0	0	0	111.6
261	P	75.3	Confident	74.1	Confident	13 Å²	13	76.4 Å²	76.4	8%	0.084	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-60.4	144.3	178.6	26	-34.7	0	0	0	111.6	Q267 E336 R339 K340 T347	P261-Q267 PolarHBondContact O-NE2 2.89Å; P261-E336 WeakPolarHBondContact CA-OE2 3.45Å; P261-E336 VanDerWaalsContact CB-OE2 3.28Å; P261-E336 WeakPolarHBondContact CB-OE2 3.46Å; P261-R339 HydrophobicContact CB-CB 4.21Å; P261-K340 HydrophobicContact CB-CG 4.01Å; P261-K340 HydrophobicContact CG-CG 3.86Å; P261-T347 HydrophobicContact CG-CG2 4.21Å
262	S	76	Confident	75	Confident	75 Å²	75	77.7 Å²	77.7	52%	0.524	40%	0.402	S	S	.	.			trans	-106.6	5.2	-172.4	65.9	0	0	0	0	114.4	F264 E336	S262-F264 VanDerWaalsContact C-N 3.27Å; S262-F264 WeakPolarHBondContact O-CD2 3.38Å; S262-F264 PolarHBondContact O-N 3.26Å; S262-E336 PolarHBondContact N-OE2 2.97Å; S262-E336 PolarHBondContact OG-OE1 3.01Å
263	D	77.7	Confident	76	Confident	18 Å²	18	81 Å²	81	10%	0.096	41%	0.412	C	S	.	.			trans	-83.2	54.2	-177.5	67.9	-32.1	0	0	0	113.3	S265 F266 Q267 E336 K340	D263-S265 PolarHBondContact O-N 3.3Å; D263-S265 VanDerWaalsContact O-N 3.08Å; D263-F266 HydrophobicContact CB-CB 4.21Å; D263-F266 PolarHBondContact O-N 2.74Å; D263-Q267 WeakPolarHBondContact O-CG 3.38Å; D263-Q267 PolarHBondContact O-N 3.47Å; D263-Q267 WeakPolarHBondContact OD1-CG 3.49Å; D263-Q267 PolarHBondContact OD1-NE2 2.9Å; D263-E336 HydrophobicContact CB-CG 4.29Å; D263-K340 IonicContact OD1-NZ 3.53Å; D263-K340 WeakPolarHBondContact OD2-CE 3.37Å; D263-K340 IonicContact OD2-NZ 3.43Å; D263-K340 PolarHBondContact OD2-NZ 3.41Å
264	F	75.8	Confident	76.8	Confident	139 Å²	139	82.6 Å²	82.6	61%	0.61	42%	0.419	S	S	*	.	H	α-helix	trans	-53.8	-33.2	-176.7	-61.2	-72.8	0	0	0	114	S262 N268	S262-F264 VanDerWaalsContact C-N 3.27Å; S262-F264 WeakPolarHBondContact O-CD2 3.38Å; S262-F264 PolarHBondContact O-N 3.26Å; F264-N268 WeakPolarHBondContact O-CB 3.3Å; F264-N268 VanDerWaalsContact O-CG 3.29Å; F264-N268 PolarHBondContact O-N 3.38Å; F264-N268 PolarHBondContact O-ND2 3.5Å
265	S	74.1	Confident	77.6	Confident	93 Å²	93	75.6 Å²	75.6	65%	0.65	40%	0.395	S	S	*	.	H	α-helix	trans	-65.3	-44.3	177	52	0	0	0	0	112.1	D263 M269	D263-S265 PolarHBondContact O-N 3.3Å; D263-S265 VanDerWaalsContact O-N 3.08Å; S265-M269 VanDerWaalsContact O-CG 3.28Å; S265-M269 WeakPolarHBondContact O-CG 3.34Å
266	F	77.2	Confident	78.3	Confident	7 Å²	7	73.1 Å²	73.1	3%	0.031	38%	0.379	C	S	.	.	H	α-helix	trans	-73.1	-40.8	-179.7	-174.8	-88.8	0	0	0	111.3	D263 N268 M269 K274 T277 C330 E332	D263-F266 HydrophobicContact CB-CB 4.21Å; D263-F266 PolarHBondContact O-N 2.74Å; F266-N268 VanDerWaalsContact C-N 3.33Å; F266-N268 PolarHBondContact O-N 3.45Å; F266-M269 HydrophobicContact CD2-SD 3.91Å; F266-M269 HydrophobicContact CE2-SD 4.42Å; F266-M269 HydrophobicContact CG-SD 4.46Å; F266-M269 WeakPolarHBondContact O-CB 3.42Å; F266-M269 WeakPolarHBondContact O-CG 3.47Å; F266-M269 PolarHBondContact O-N 3.47Å; F266-M269 VanDerWaalsContact O-N 3.17Å; F266-K274 HydrophobicContact CE1-CD 4.39Å; F266-K274 HydrophobicContact CE1-CG 4.28Å; F266-K274 HydrophobicContact CZ-CG 4.12Å; F266-K274 WeakPolarHBondContact O-CE 3.48Å; F266-T277 HydrophobicContact CE2-CG2 4.21Å; F266-C330 WeakPolarHBondContact CE1-O 3.36Å; F266-E332 HydrophobicContact CD2-CG 3.98Å; F266-E332 HydrophobicContact CE2-CG 4.49Å
267	Q	74.8	Confident	79.1	Confident	64 Å²	64	72.8 Å²	72.8	30%	0.299	38%	0.378	S	S	.	.	H	α-helix	trans	-60	-42	178.4	-69	175.3	18.6	0	0	112.5	P261 D263 M269 K274	P261-Q267 PolarHBondContact O-NE2 2.89Å; D263-Q267 WeakPolarHBondContact O-CG 3.38Å; D263-Q267 PolarHBondContact O-N 3.47Å; D263-Q267 WeakPolarHBondContact OD1-CG 3.49Å; D263-Q267 PolarHBondContact OD1-NE2 2.9Å; Q267-M269 PolarHBondContact O-N 2.91Å; Q267-K274 PolarHBondContact O-NZ 3.37Å
268	N	79.1	Confident	80	Confident	138 Å²	138	69.7 Å²	69.7	74%	0.738	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-1.3	180	-70.3	-33.9	0	0	0	114.1	F264 F266	F264-N268 WeakPolarHBondContact O-CB 3.3Å; F264-N268 VanDerWaalsContact O-CG 3.29Å; F264-N268 PolarHBondContact O-N 3.38Å; F264-N268 PolarHBondContact O-ND2 3.5Å; F266-N268 VanDerWaalsContact C-N 3.33Å; F266-N268 PolarHBondContact O-N 3.45Å
269	M	84.6	Confident	80.8	Confident	48 Å²	48	67.4 Å²	67.4	24%	0.236	35%	0.346	C	S	.	.	S	Bend	trans	-69.2	142.2	172.9	-59.5	-178.3	88.7	0	0	110.5	S265 F266 Q267 R273 K274	S265-M269 VanDerWaalsContact O-CG 3.28Å; S265-M269 WeakPolarHBondContact O-CG 3.34Å; F266-M269 HydrophobicContact CD2-SD 3.91Å; F266-M269 HydrophobicContact CE2-SD 4.42Å; F266-M269 HydrophobicContact CG-SD 4.46Å; F266-M269 WeakPolarHBondContact O-CB 3.42Å; F266-M269 WeakPolarHBondContact O-CG 3.47Å; F266-M269 PolarHBondContact O-N 3.47Å; F266-M269 VanDerWaalsContact O-N 3.17Å; Q267-M269 PolarHBondContact O-N 2.91Å; M269-R273 HydrophobicContact CB-CB 4.38Å; M269-R273 HydrophobicContact CE-CB 3.57Å; M269-R273 HydrophobicContact CE-CG 4.31Å; M269-K274 HydrophobicContact CB-CG 3.96Å; M269-K274 VanDerWaalsContact O-CE 3.24Å; M269-K274 WeakPolarHBondContact O-CE 2.8Å; M269-K274 PolarHBondContact O-NZ 3.31Å
270	N	86	Confident	81.3	Confident	79 Å²	79	70.7 Å²	70.7	42%	0.422	36%	0.356	S	S	.	.			trans	-64.8	159.8	169.7	68.2	4.9	0	0	0	111.3	K272 R273 K274	N270-K272 VanDerWaalsContact C-N 3.27Å; N270-K272 PolarHBondContact O-N 3.4Å; N270-R273 PolarHBondContact O-N 3.26Å; N270-R273 VanDerWaalsContact OD1-CB 3.28Å; N270-R273 WeakPolarHBondContact OD1-CB 3.42Å; N270-R273 WeakPolarHBondContact OD1-CG 3.47Å; N270-R273 PolarHBondContact OD1-N 3.26Å; N270-K274 PolarHBondContact O-N 3.12Å
271	S	86.5	Confident	81.9	Confident	9 Å²	9	69.2 Å²	69.2	6%	0.063	34%	0.344	C	S	.	.	H	α-helix	trans	-53.8	-44	-176.9	177.4	0	0	0	0	112.3	R273 K274 A275 Y326 E353 V354	S271-R273 PolarHBondContact O-N 3.4Å; S271-K274 WeakPolarHBondContact O-CB 3.19Å; S271-K274 PolarHBondContact O-N 3.45Å; S271-A275 PolarHBondContact O-N 3.48Å; S271-Y326 WeakPolarHBondContact O-CE1 3.46Å; S271-Y326 WeakPolarHBondContact OG-CE1 3.43Å; S271-E353 VanDerWaalsContact CB-OE1 3.23Å; S271-E353 WeakPolarHBondContact CB-OE1 3.39Å; S271-E353 PolarHBondContact N-OE1 3.12Å; S271-V354 WeakPolarHBondContact OG-CG2 3.32Å
272	K	86.9	Confident	82.1	Confident	145 Å²	145	69.2 Å²	69.2	63%	0.63	34%	0.342	S	S	*	.	H	α-helix	trans	-57.3	-47	-179.7	-174.2	174.2	178.5	176.3	0	113	N270 A275 E276	N270-K272 VanDerWaalsContact C-N 3.27Å; N270-K272 PolarHBondContact O-N 3.4Å; K272-A275 PolarHBondContact O-N 3Å; K272-E276 VanDerWaalsContact CE-OE1 3.24Å; K272-E276 WeakPolarHBondContact CE-OE1 3.21Å; K272-E276 WeakPolarHBondContact O-CG 3.27Å; K272-E276 PolarHBondContact O-N 3.41Å
273	R	86.3	Confident	81.9	Confident	147 Å²	147	70.9 Å²	70.9	56%	0.555	34%	0.337	S	S	*	.	H	α-helix	trans	-69.8	-33.2	179.9	-73.4	177.4	174.9	-170.8	-0.1	112.7	M269 N270 S271 E276 T277	M269-R273 HydrophobicContact CB-CB 4.38Å; M269-R273 HydrophobicContact CE-CB 3.57Å; M269-R273 HydrophobicContact CE-CG 4.31Å; N270-R273 PolarHBondContact O-N 3.26Å; N270-R273 VanDerWaalsContact OD1-CB 3.28Å; N270-R273 WeakPolarHBondContact OD1-CB 3.42Å; N270-R273 WeakPolarHBondContact OD1-CG 3.47Å; N270-R273 PolarHBondContact OD1-N 3.26Å; S271-R273 PolarHBondContact O-N 3.4Å; R273-E276 PolarHBondContact O-N 3.45Å; R273-T277 WeakPolarHBondContact O-CB 3.31Å; R273-T277 PolarHBondContact O-N 2.86Å; R273-T277 PolarHBondContact O-OG1 3.48Å
274	K	86.7	Confident	81.7	Confident	35 Å²	35	76.8 Å²	76.8	15%	0.152	36%	0.364	C	S	.	.	H	α-helix	trans	-62.1	-47.3	172.2	-71.7	177.6	178.3	162	0	110.6	F266 Q267 M269 N270 S271 E276 T277 W278 Y326	F266-K274 HydrophobicContact CE1-CD 4.39Å; F266-K274 HydrophobicContact CE1-CG 4.28Å; F266-K274 HydrophobicContact CZ-CG 4.12Å; F266-K274 WeakPolarHBondContact O-CE 3.48Å; Q267-K274 PolarHBondContact O-NZ 3.37Å; M269-K274 HydrophobicContact CB-CG 3.96Å; M269-K274 VanDerWaalsContact O-CE 3.24Å; M269-K274 WeakPolarHBondContact O-CE 2.8Å; M269-K274 PolarHBondContact O-NZ 3.31Å; N270-K274 PolarHBondContact O-N 3.12Å; S271-K274 WeakPolarHBondContact O-CB 3.19Å; S271-K274 PolarHBondContact O-N 3.45Å; K274-E276 PolarHBondContact O-N 3.44Å; K274-T277 PolarHBondContact O-N 3.4Å; K274-W278 WeakPolarHBondContact O-CB 3.02Å; K274-W278 PolarHBondContact O-N 3.27Å; K274-Y326 HydrophobicContact CB-CD1 3.84Å; K274-Y326 HydrophobicContact CB-CD2 4.48Å; K274-Y326 HydrophobicContact CB-CE1 3.63Å; K274-Y326 HydrophobicContact CB-CE2 4.33Å; K274-Y326 HydrophobicContact CB-CG 4.26Å; K274-Y326 HydrophobicContact CD-CE1 4.43Å; K274-Y326 HydrophobicContact CD-CE2 4.13Å
275	A	85.6	Confident	81.6	Confident	12 Å²	12	72.2 Å²	72.2	10%	0.099	35%	0.345	C	S	.	.	H	α-helix	trans	-58.9	-44.2	176.2	0	0	0	0	0	112.6	S271 K272 K279 Y326	S271-A275 PolarHBondContact O-N 3.48Å; K272-A275 PolarHBondContact O-N 3Å; A275-K279 WeakPolarHBondContact O-CB 3.45Å; A275-K279 WeakPolarHBondContact O-CG 3.28Å; A275-K279 PolarHBondContact O-N 3.13Å; A275-Y326 HydrophobicContact CB-CD1 3.95Å
276	E	86.8	Confident	81.2	Confident	105 Å²	105	68.9 Å²	68.9	49%	0.491	32%	0.323	S	S	.	.	H	α-helix	trans	-61.9	-45.2	176.4	-73.2	168.5	-176.1	0	0	112.1	K272 R273 K274 K279 K280	K272-E276 VanDerWaalsContact CE-OE1 3.24Å; K272-E276 WeakPolarHBondContact CE-OE1 3.21Å; K272-E276 WeakPolarHBondContact O-CG 3.27Å; K272-E276 PolarHBondContact O-N 3.41Å; R273-E276 PolarHBondContact O-N 3.45Å; K274-E276 PolarHBondContact O-N 3.44Å; E276-K279 PolarHBondContact O-N 3.1Å; E276-K280 WeakPolarHBondContact O-CB 3.36Å; E276-K280 PolarHBondContact O-N 2.85Å
277	T	85.4	Confident	80.7	Confident	37 Å²	37	72.6 Å²	72.6	23%	0.227	34%	0.338	C	S	.	.	H	α-helix	trans	-65.2	-45.1	179.8	-56.5	0	0	0	0	111	F266 R273 K274 K280 N281	F266-T277 HydrophobicContact CE2-CG2 4.21Å; R273-T277 WeakPolarHBondContact O-CB 3.31Å; R273-T277 PolarHBondContact O-N 2.86Å; R273-T277 PolarHBondContact O-OG1 3.48Å; K274-T277 PolarHBondContact O-N 3.4Å; T277-K280 PolarHBondContact O-N 2.97Å; T277-N281 PolarHBondContact O-N 3.01Å; T277-N281 PolarHBondContact O-ND2 3.31Å
278	W	84.1	Confident	80.2	Confident	16 Å²	16	71.4 Å²	71.4	6%	0.061	34%	0.337	C	S	.	.	H	α-helix	trans	-59.3	-51	176.9	174.8	-109.3	0	0	0	111.5	K274 K280 N281 R282 L285 D294 P327 C330	K274-W278 WeakPolarHBondContact O-CB 3.02Å; K274-W278 PolarHBondContact O-N 3.27Å; W278-K280 VanDerWaalsContact C-N 3.34Å; W278-K280 PolarHBondContact O-N 3.25Å; W278-N281 PolarHBondContact O-N 3.37Å; W278-R282 VanDerWaalsContact CZ2-CD 3.47Å; W278-R282 VanDerWaalsContact NE1-CD 3.3Å; W278-R282 WeakPolarHBondContact O-CB 3.37Å; W278-R282 PolarHBondContact O-N 2.96Å; W278-L285 HydrophobicContact CH2-CD2 4.34Å; W278-L285 HydrophobicContact CZ3-CD2 3.95Å; W278-D294 HydrophobicContact CH2-CB 4.47Å; W278-D294 WeakPolarHBondContact CH2-OD2 3.33Å; W278-P327 HydrophobicContact CD2-CG 4.27Å; W278-P327 HydrophobicContact CE3-CG 4.33Å; W278-P327 HydrophobicContact CH2-CG 3.53Å; W278-P327 VanDerWaalsContact CZ2-CD 3.44Å; W278-P327 HydrophobicContact CZ2-CG 3.44Å; W278-P327 VanDerWaalsContact CZ2-CG 3.44Å; W278-P327 HydrophobicContact CZ3-CG 3.98Å; W278-C330 HydrophobicContact CD2-CB 4.42Å; W278-C330 HydrophobicContact CE3-CB 3.7Å; W278-C330 HydrophobicContact CZ3-CB 3.92Å
279	K	84.6	Confident	79	Confident	51 Å²	51	68.6 Å²	68.6	22%	0.222	32%	0.324	C	S	.	.	H	α-helix	trans	-58.6	-42.4	177.2	-77.9	173	-173.9	150.1	0	113.3	D189 A275 E276 N281 R282	D189-K279 WeakPolarHBondContact OD1-CE 3.36Å; D189-K279 IonicContact OD1-NZ 3.79Å; D189-K279 PolarHBondContact OD1-NZ 2.93Å; D189-K279 IonicContact OD2-NZ 2.68Å; A275-K279 WeakPolarHBondContact O-CB 3.45Å; A275-K279 WeakPolarHBondContact O-CG 3.28Å; A275-K279 PolarHBondContact O-N 3.13Å; E276-K279 PolarHBondContact O-N 3.1Å; K279-N281 VanDerWaalsContact C-N 3.26Å; K279-N281 PolarHBondContact O-N 3.49Å; K279-R282 PolarHBondContact O-N 2.95Å
280	K	83.5	Confident	77.7	Confident	167 Å²	167	68.6 Å²	68.6	73%	0.726	33%	0.327	S	S	*	.	H	α-helix	trans	-59.6	-39.3	178.9	-175.3	179.8	177.3	-176.8	0	112	E276 T277 W278	E276-K280 WeakPolarHBondContact O-CB 3.36Å; E276-K280 PolarHBondContact O-N 2.85Å; T277-K280 PolarHBondContact O-N 2.97Å; W278-K280 VanDerWaalsContact C-N 3.34Å; W278-K280 PolarHBondContact O-N 3.25Å
281	N	82.6	Confident	76.8	Confident	56 Å²	56	65.1 Å²	65.1	30%	0.299	31%	0.31	S	S	.	.	H	α-helix	trans	-92.1	-23.4	-175.4	-62.3	-24.6	0	0	0	112.7	T277 W278 K279 R283 Q284 L285	T277-N281 PolarHBondContact O-N 3.01Å; T277-N281 PolarHBondContact O-ND2 3.31Å; W278-N281 PolarHBondContact O-N 3.37Å; K279-N281 VanDerWaalsContact C-N 3.26Å; K279-N281 PolarHBondContact O-N 3.49Å; N281-R283 VanDerWaalsContact C-N 3.32Å; N281-R283 PolarHBondContact O-N 3.31Å; N281-R283 VanDerWaalsContact O-N 3.11Å; N281-Q284 WeakPolarHBondContact O-CB 3.32Å; N281-Q284 PolarHBondContact O-N 3.48Å; N281-L285 HydrophobicContact CB-CD1 3.59Å; N281-L285 WeakPolarHBondContact O-CD1 3.5Å; N281-L285 PolarHBondContact O-N 3.01Å
282	R	79.2	Confident	76.1	Confident	13 Å²	13	65.7 Å²	65.7	5%	0.049	31%	0.313	C	S	.	.	H	α-helix	trans	-43.1	-49.9	-173.7	-171.4	96.8	-176.6	-147.8	-0.2	114.1	M182 P222 W278 K279 Q284 L285 A286 Y295 E321	M182-R282 HydrophobicContact CE-CB 4.25Å; M182-R282 HydrophobicContact CE-CG 3.37Å; M182-R282 HydrophobicContact CG-CG 4.15Å; M182-R282 HydrophobicContact SD-CG 3.65Å; P222-R282 VanDerWaalsContact CG-NH2 3.29Å; W278-R282 VanDerWaalsContact CZ2-CD 3.47Å; W278-R282 VanDerWaalsContact NE1-CD 3.3Å; W278-R282 WeakPolarHBondContact O-CB 3.37Å; W278-R282 PolarHBondContact O-N 2.96Å; K279-R282 PolarHBondContact O-N 2.95Å; R282-Q284 PolarHBondContact O-N 3.11Å; R282-L285 PolarHBondContact O-N 3.39Å; R282-A286 PolarHBondContact O-N 2.89Å; R282-Y295 PolarHBondContact NH2-OH 2.75Å; R282-Y295 VanDerWaalsContact NH2-OH 3.14Å; R282-E321 IonicContact CZ-OE1 3.75Å; R282-E321 IonicContact CZ-OE2 2.64Å; R282-E321 IonicContact NH1-OE1 3.73Å; R282-E321 PolarHBondContact NH1-OE1 2.6Å; R282-E321 IonicContact NH1-OE2 3.09Å; R282-E321 PolarHBondContact NH1-OE2 3.2Å; R282-E321 IonicContact NH2-OE1 3.69Å; R282-E321 PolarHBondContact NH2-OE1 3.31Å; R282-E321 IonicContact NH2-OE2 2.98Å; R282-E321 PolarHBondContact NH2-OE2 2.91Å
283	R	73.6	Confident	75.9	Confident	109 Å²	109	58.8 Å²	58.8	41%	0.411	28%	0.283	S	S	.	.	H	α-helix	trans	-62.5	-44.1	-179	-66.7	-177.1	-178.1	-134.5	-9.6	112.2	M182 M186 N281 L285 A286 Y287 D418	M182-R283 HydrophobicContact CE-CG 4.28Å; M186-R283 HydrophobicContact CE-CG 4.15Å; M186-R283 HydrophobicContact SD-CG 3.75Å; N281-R283 VanDerWaalsContact C-N 3.32Å; N281-R283 PolarHBondContact O-N 3.31Å; N281-R283 VanDerWaalsContact O-N 3.11Å; R283-L285 VanDerWaalsContact C-N 3.29Å; R283-L285 PolarHBondContact O-N 3.14Å; R283-A286 PolarHBondContact O-N 2.84Å; R283-Y287 HydrophobicContact CB-CE2 4.25Å; R283-Y287 WeakPolarHBondContact O-CD2 3.4Å; R283-Y287 WeakPolarHBondContact O-CE2 3.15Å; R283-Y287 PolarHBondContact O-N 2.97Å; R283-D418 VanDerWaalsContact CZ-CG 3.4Å; R283-D418 IonicContact CZ-OD1 3.08Å; R283-D418 IonicContact CZ-OD2 2.68Å; R283-D418 IonicContact NE-OD2 3.26Å; R283-D418 IonicContact NH1-OD1 3.76Å; R283-D418 PolarHBondContact NH1-OD1 2.88Å; R283-D418 IonicContact NH1-OD2 2.76Å; R283-D418 PolarHBondContact NH1-OD2 3.19Å; R283-D418 IonicContact NH2-OD1 3.99Å; R283-D418 PolarHBondContact NH2-OD1 3.05Å; R283-D418 IonicContact NH2-OD2 3.52Å
284	Q	73.5	Confident	76.1	Confident	143 Å²	143	51.9 Å²	51.9	67%	0.668	26%	0.257	S	S	*	.	H	α-helix	trans	-65.4	-36	177.8	-64.1	-176.8	-4.7	0	0	111.4	N281 R282 S288	N281-Q284 WeakPolarHBondContact O-CB 3.32Å; N281-Q284 PolarHBondContact O-N 3.48Å; R282-Q284 PolarHBondContact O-N 3.11Å; Q284-S288 WeakPolarHBondContact O-CB 3.26Å; Q284-S288 PolarHBondContact O-N 2.85Å; Q284-S288 VanDerWaalsContact O-N 3.11Å
285	L	71.8	Confident	76.4	Confident	42 Å²	42	51.1 Å²	51.1	22%	0.22	25%	0.253	C	S	.	.	H	α-helix	trans	-66.3	-41.4	175.9	-83.8	79.7	0	0	0	112.3	W278 N281 R282 R283 Y287 S288 T292	W278-L285 HydrophobicContact CH2-CD2 4.34Å; W278-L285 HydrophobicContact CZ3-CD2 3.95Å; N281-L285 HydrophobicContact CB-CD1 3.59Å; N281-L285 WeakPolarHBondContact O-CD1 3.5Å; N281-L285 PolarHBondContact O-N 3.01Å; R282-L285 PolarHBondContact O-N 3.39Å; R283-L285 VanDerWaalsContact C-N 3.29Å; R283-L285 PolarHBondContact O-N 3.14Å; L285-Y287 PolarHBondContact O-N 3.32Å; L285-S288 WeakPolarHBondContact O-CB 3.33Å; L285-S288 PolarHBondContact O-N 3.37Å; L285-T292 HydrophobicContact CD2-CG2 3.37Å; L285-T292 WeakPolarHBondContact CD2-OG1 3.47Å; L285-T292 HydrophobicContact CG-CG2 4.14Å
286	A	67.5	Low	76.7	Confident	23 Å²	23	51.1 Å²	51.1	19%	0.19	25%	0.251	C	S	.	.	H	α-helix	trans	-59.6	-44.6	178.3	0	0	0	0	0	112.1	M182 R282 R283 S288	M182-A286 HydrophobicContact CE-CB 3.79Å; M182-A286 HydrophobicContact SD-CB 4Å; R282-A286 PolarHBondContact O-N 2.89Å; R283-A286 PolarHBondContact O-N 2.84Å; A286-S288 VanDerWaalsContact C-N 3.33Å; A286-S288 PolarHBondContact O-N 3.34Å
287	Y	65.8	Low	76.9	Confident	86 Å²	86	46.1 Å²	46.1	34%	0.337	23%	0.228	S	C	.	.	H	α-helix	trans	-82.4	-6.8	179.5	-50.6	-47	0	0	0	114.2	R104 R283 L285 F420	R104-Y287 HydrophobicContact CB-CD1 4.41Å; R104-Y287 VanDerWaalsContact O-CD1 3.28Å; R104-Y287 WeakPolarHBondContact O-CD1 3.42Å; R283-Y287 HydrophobicContact CB-CE2 4.25Å; R283-Y287 WeakPolarHBondContact O-CD2 3.4Å; R283-Y287 WeakPolarHBondContact O-CE2 3.15Å; R283-Y287 PolarHBondContact O-N 2.97Å; L285-Y287 PolarHBondContact O-N 3.32Å; Y287-F420 HydrophobicContact CD1-CE1 4.42Å; Y287-F420 AromaticContact CE1-CE1 3.57Å; Y287-F420 HydrophobicContact CE1-CE1 3.57Å; Y287-F420 AromaticContact CE1-CZ 3.77Å; Y287-F420 HydrophobicContact CE1-CZ 3.77Å; Y287-F420 HydrophobicContact CE2-CE1 4.07Å; Y287-F420 AromaticContact CZ-CE1 3.38Å; Y287-F420 AromaticContact CZ-CZ 3.6Å; Y287-F420 VanDerWaalsContact OH-CE1 3.32Å; Y287-F420 WeakPolarHBondContact OH-CE1 3.36Å; Y287-F420 WeakPolarHBondContact OH-CZ 3.34Å
288	S	65.4	Low	77.3	Confident	39 Å²	39	44.8 Å²	44.8	27%	0.273	22%	0.22	S	C	.	.			trans	-71	136.5	179.6	179.5	0	0	0	0	111.9	K245 Q284 L285 A286 V290 G291	K245-S288 PolarHBondContact NZ-O 3.02Å; Q284-S288 WeakPolarHBondContact O-CB 3.26Å; Q284-S288 PolarHBondContact O-N 2.85Å; Q284-S288 VanDerWaalsContact O-N 3.11Å; L285-S288 WeakPolarHBondContact O-CB 3.33Å; L285-S288 PolarHBondContact O-N 3.37Å; A286-S288 VanDerWaalsContact C-N 3.33Å; A286-S288 PolarHBondContact O-N 3.34Å; S288-V290 VanDerWaalsContact C-N 3.28Å; S288-V290 PolarHBondContact OG-N 3Å; S288-G291 PolarHBondContact OG-N 3.43Å
289	T	53.6	Low	77.6	Confident	78 Å²	78	44.7 Å²	44.7	48%	0.479	22%	0.22	S	C	.	.	S	Bend	trans	-72.6	-23.9	172.5	57.4	0	0	0	0	112.6	A106	A106-T289 HydrophobicContact CB-CG2 4.05Å
290	V	56.7	Low	77.7	Confident	49 Å²	49	42.9 Å²	42.9	30%	0.297	21%	0.213	S	C	.	.	S	Bend	trans	-79.5	-44.7	177	179.7	0	0	0	0	109	A247 F252 S288	A247-V290 HydrophobicContact CB-CG1 3.8Å; A247-V290 WeakPolarHBondContact CB-O 3.03Å; A247-V290 PolarHBondContact N-O 3.43Å; F252-V290 HydrophobicContact CZ-CG1 4.36Å; S288-V290 VanDerWaalsContact C-N 3.28Å; S288-V290 PolarHBondContact OG-N 3Å
291	G	67.2	Low	77.6	Confident	5 Å²	5	35.3 Å²	35.3	5%	0.052	18%	0.18	C	C	.	.			trans	66.2	-173.8	-175.1	0	0	0	0	0	112.7	S288	S288-G291 PolarHBondContact OG-N 3.43Å
292	T	70.9	Confident	77.5	Confident	22 Å²	22	37 Å²	37	14%	0.135	19%	0.188	C	C	.	.			trans	-128.5	149	169.7	45.9	0	0	0	0	110.3	H248 L285 D294 P334	H248-T292 PolarHBondContact NE2-O 3.42Å; L285-T292 HydrophobicContact CD2-CG2 3.37Å; L285-T292 WeakPolarHBondContact CD2-OG1 3.47Å; L285-T292 HydrophobicContact CG-CG2 4.14Å; T292-D294 WeakPolarHBondContact CB-OD2 3.4Å; T292-D294 PolarHBondContact O-N 3.29Å; T292-D294 PolarHBondContact OG1-OD2 3.02Å; T292-P334 HydrophobicContact CG2-CG 4.15Å
293	P	84.3	Confident	77	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.224	C	C	.	.			trans	-83.7	22.8	-178.6	35.1	-36.5	0	0	0	113.6	Y253 Y295 I296 F301 T337	Y253-P293 WeakPolarHBondContact OH-CG 3.45Å; P293-Y295 PolarHBondContact O-N 3.42Å; P293-Y295 VanDerWaalsContact O-N 3.13Å; P293-I296 HydrophobicContact CB-CB 4.4Å; P293-I296 HydrophobicContact CB-CD1 4.21Å; P293-I296 HydrophobicContact CB-CG1 4.49Å; P293-I296 PolarHBondContact O-N 2.64Å; P293-F301 HydrophobicContact CB-CE1 4.42Å; P293-F301 HydrophobicContact CB-CE2 4.28Å; P293-F301 HydrophobicContact CB-CZ 3.54Å; P293-T337 HydrophobicContact CG-CG2 3.72Å
294	D	89.6	Confident	76.9	Confident	1 Å²	1	45 Å²	45	1%	0.005	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-34.7	-168.8	-63.8	-66.6	0	0	0	113.8	W278 T292 V317 P327 C330 T337	W278-D294 HydrophobicContact CH2-CB 4.47Å; W278-D294 WeakPolarHBondContact CH2-OD2 3.33Å; T292-D294 WeakPolarHBondContact CB-OD2 3.4Å; T292-D294 PolarHBondContact O-N 3.29Å; T292-D294 PolarHBondContact OG1-OD2 3.02Å; D294-V317 VanDerWaalsContact O-CG1 3.31Å; D294-V317 WeakPolarHBondContact O-CG1 3.48Å; D294-P327 HydrophobicContact CB-CB 4.23Å; D294-P327 HydrophobicContact CB-CG 3.97Å; D294-C330 VanDerWaalsContact OD1-CA 3.32Å; D294-C330 WeakPolarHBondContact OD1-CA 3.42Å; D294-T337 HydrophobicContact CB-CG2 4.41Å; D294-T337 WeakPolarHBondContact OD1-CG2 3.18Å
295	Y	93.4	Very high	76.7	Confident	20 Å²	20	40.4 Å²	40.4	8%	0.078	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-1.2	-178.1	-49.3	-85	0	0	0	113.2	I220 K221 P222 R282 P293 S314 V317 I318 E321 P327	I220-Y295 WeakPolarHBondContact O-CB 3.36Å; K221-Y295 HydrophobicContact CB-CD1 4.28Å; K221-Y295 HydrophobicContact CB-CD2 3.59Å; K221-Y295 HydrophobicContact CB-CE2 3.85Å; K221-Y295 HydrophobicContact CB-CG 3.83Å; P222-Y295 HydrophobicContact CG-CE1 4.22Å; R282-Y295 PolarHBondContact NH2-OH 2.75Å; R282-Y295 VanDerWaalsContact NH2-OH 3.14Å; P293-Y295 PolarHBondContact O-N 3.42Å; P293-Y295 VanDerWaalsContact O-N 3.13Å; Y295-S314 WeakPolarHBondContact O-CA 3.19Å; Y295-S314 WeakPolarHBondContact O-CB 3.44Å; Y295-S314 PolarHBondContact O-OG 3.2Å; Y295-V317 HydrophobicContact CD1-CB 3.99Å; Y295-V317 HydrophobicContact CD1-CG1 3.39Å; Y295-V317 HydrophobicContact CE1-CG1 3.82Å; Y295-V317 HydrophobicContact CG-CG1 4.17Å; Y295-I318 HydrophobicContact CD1-CG1 3.98Å; Y295-I318 HydrophobicContact CE1-CG1 4.1Å; Y295-E321 PolarHBondContact OH-OE2 2.99Å; Y295-P327 HydrophobicContact CE1-CB 4.33Å
296	I	90.7	Very high	77.2	Confident	11 Å²	11	42 Å²	42	6%	0.056	23%	0.233	C	C	.	.			trans	-84.2	130.7	-173.1	-61.9	-175.5	0	0	0	110.7	H248 P293 V300 F301 W313 V341	H248-I296 HydrophobicContact CB-CD1 3.41Å; H248-I296 VanDerWaalsContact CB-CD1 3.41Å; H248-I296 WeakPolarHBondContact CD2-CD1 3.45Å; P293-I296 HydrophobicContact CB-CB 4.4Å; P293-I296 HydrophobicContact CB-CD1 4.21Å; P293-I296 HydrophobicContact CB-CG1 4.49Å; P293-I296 PolarHBondContact O-N 2.64Å; I296-V300 HydrophobicContact CG2-CB 3.6Å; I296-V300 HydrophobicContact CG2-CG1 3.75Å; I296-V300 HydrophobicContact CG2-CG2 4.09Å; I296-F301 HydrophobicContact CB-CE2 3.89Å; I296-F301 HydrophobicContact CB-CZ 3.75Å; I296-F301 HydrophobicContact CD1-CZ 4.09Å; I296-F301 HydrophobicContact CG2-CD2 4.26Å; I296-F301 HydrophobicContact CG2-CE1 4.2Å; I296-F301 HydrophobicContact CG2-CE2 3.45Å; I296-F301 VanDerWaalsContact CG2-CE2 3.45Å; I296-F301 HydrophobicContact CG2-CZ 3.4Å; I296-F301 VanDerWaalsContact CG2-CZ 3.4Å; I296-W313 PolarHBondContact O-NE1 2.86Å; I296-V341 WeakPolarHBondContact O-CG1 3.21Å
297	A	92.1	Very high	78.2	Confident	1 Å²	1	44.1 Å²	44.1	1%	0.008	24%	0.242	C	C	.	.			trans	-66	143.6	175.8	0	0	0	0	0	112	E299 V300 C310 W313	A297-E299 VanDerWaalsContact C-N 3.26Å; A297-E299 VanDerWaalsContact CB-CD 3.45Å; A297-E299 HydrophobicContact CB-CG 4.49Å; A297-E299 VanDerWaalsContact CB-OE1 3.25Å; A297-E299 WeakPolarHBondContact CB-OE1 3.45Å; A297-E299 WeakPolarHBondContact CB-OE2 3.05Å; A297-E299 PolarHBondContact O-N 3.48Å; A297-V300 HydrophobicContact CB-CG2 4.16Å; A297-V300 WeakPolarHBondContact O-CB 3.42Å; A297-V300 PolarHBondContact O-N 2.98Å; A297-C310 HydrophobicContact CB-CB 3.83Å; A297-W313 VanDerWaalsContact CA-CD1 3.43Å; A297-W313 HydrophobicContact CB-CB 3.62Å; A297-W313 HydrophobicContact CB-CD2 4.11Å; A297-W313 HydrophobicContact CB-CG 3.56Å
298	P	92.7	Very high	79.4	Confident	8 Å²	8	44.2 Å²	44.2	5%	0.052	24%	0.244	C	C	.	.	H	α-helix	trans	-58.3	-37.6	-175.7	22.8	-33.5	0	0	0	112.6	V300 F301 W313 V341 M342	P298-V300 PolarHBondContact O-N 3.15Å; P298-F301 PolarHBondContact O-N 3.44Å; P298-F301 VanDerWaalsContact O-N 3.07Å; P298-W313 HydrophobicContact CG-CE3 4.37Å; P298-W313 HydrophobicContact CG-CH2 3.97Å; P298-W313 HydrophobicContact CG-CZ2 4.36Å; P298-W313 HydrophobicContact CG-CZ3 3.96Å; P298-V341 HydrophobicContact CB-CG1 4.16Å; P298-M342 HydrophobicContact CB-SD 4.15Å
299	E	90.6	Very high	80.8	Confident	14 Å²	14	42.5 Å²	42.5	7%	0.065	23%	0.231	C	C	.	.	H	α-helix	trans	-64.4	-21.2	179.8	68.2	-85.6	-167.8	0	0	114	A297 F301 M302 R374	A297-E299 VanDerWaalsContact C-N 3.26Å; A297-E299 VanDerWaalsContact CB-CD 3.45Å; A297-E299 HydrophobicContact CB-CG 4.49Å; A297-E299 VanDerWaalsContact CB-OE1 3.25Å; A297-E299 WeakPolarHBondContact CB-OE1 3.45Å; A297-E299 WeakPolarHBondContact CB-OE2 3.05Å; A297-E299 PolarHBondContact O-N 3.48Å; E299-F301 PolarHBondContact O-N 3.39Å; E299-M302 HydrophobicContact CB-SD 4.47Å; E299-M302 WeakPolarHBondContact O-CB 3.4Å; E299-M302 PolarHBondContact O-N 2.89Å; E299-R374 IonicContact OE1-CZ 3.05Å; E299-R374 IonicContact OE1-NH1 3.09Å; E299-R374 PolarHBondContact OE1-NH1 3.4Å; E299-R374 IonicContact OE1-NH2 3.97Å; E299-R374 PolarHBondContact OE1-NH2 3.26Å; E299-R374 VanDerWaalsContact OE1-NH2 3.13Å; E299-R374 IonicContact OE2-CZ 3.65Å; E299-R374 IonicContact OE2-NH1 2.64Å; E299-R374 IonicContact OE2-NH2 4Å; E299-R374 PolarHBondContact OE2-NH2 2.76Å
300	V	86.8	Confident	82.7	Confident	13 Å²	13	39 Å²	39	8%	0.079	21%	0.21	C	C	.	.	H	α-helix	trans	-67.1	-28.2	176.1	177	0	0	0	0	111	L244 I296 A297 P298 Y306 C310	L244-V300 HydrophobicContact CD1-CG1 3.36Å; I296-V300 HydrophobicContact CG2-CB 3.6Å; I296-V300 HydrophobicContact CG2-CG1 3.75Å; I296-V300 HydrophobicContact CG2-CG2 4.09Å; A297-V300 HydrophobicContact CB-CG2 4.16Å; A297-V300 WeakPolarHBondContact O-CB 3.42Å; A297-V300 PolarHBondContact O-N 2.98Å; P298-V300 PolarHBondContact O-N 3.15Å; V300-Y306 HydrophobicContact CB-CD1 4.48Å; V300-Y306 HydrophobicContact CG1-CE1 4.34Å; V300-Y306 HydrophobicContact CG2-CD1 4.3Å; V300-Y306 HydrophobicContact CG2-CD2 4.25Å; V300-Y306 HydrophobicContact CG2-CG 4.06Å; V300-C310 HydrophobicContact CG2-CB 3.85Å
301	F	82.4	Confident	84.6	Confident	8 Å²	8	36.6 Å²	36.6	4%	0.035	20%	0.196	C	C	.	.	H	α-helix	trans	-83.2	-15.6	173.5	-58.4	-65.2	0	0	0	112.9	T250 Y253 P293 I296 P298 E299 Y338 V341 M342	T250-F301 WeakPolarHBondContact CG2-O 3.48Å; Y253-F301 HydrophobicContact CD2-CD1 4.02Å; Y253-F301 HydrophobicContact CD2-CE1 4.04Å; Y253-F301 HydrophobicContact CE2-CD1 4.12Å; Y253-F301 AromaticContact CE2-CE1 3.66Å; Y253-F301 HydrophobicContact CE2-CE1 3.66Å; Y253-F301 HydrophobicContact CE2-CZ 4.4Å; P293-F301 HydrophobicContact CB-CE1 4.42Å; P293-F301 HydrophobicContact CB-CE2 4.28Å; P293-F301 HydrophobicContact CB-CZ 3.54Å; I296-F301 HydrophobicContact CB-CE2 3.89Å; I296-F301 HydrophobicContact CB-CZ 3.75Å; I296-F301 HydrophobicContact CD1-CZ 4.09Å; I296-F301 HydrophobicContact CG2-CD2 4.26Å; I296-F301 HydrophobicContact CG2-CE1 4.2Å; I296-F301 HydrophobicContact CG2-CE2 3.45Å; I296-F301 VanDerWaalsContact CG2-CE2 3.45Å; I296-F301 HydrophobicContact CG2-CZ 3.4Å; I296-F301 VanDerWaalsContact CG2-CZ 3.4Å; P298-F301 PolarHBondContact O-N 3.44Å; P298-F301 VanDerWaalsContact O-N 3.07Å; E299-F301 PolarHBondContact O-N 3.39Å; F301-Y338 HydrophobicContact CB-CE2 3.87Å; F301-Y338 HydrophobicContact CD1-CD2 4.19Å; F301-Y338 HydrophobicContact CD1-CE2 4.01Å; F301-Y338 HydrophobicContact CD2-CD2 4.07Å; F301-Y338 HydrophobicContact CD2-CE2 4.02Å; F301-Y338 HydrophobicContact CE1-CD2 4.38Å; F301-Y338 HydrophobicContact CE2-CD2 4.26Å; F301-Y338 HydrophobicContact CG-CD2 4.05Å; F301-Y338 AromaticContact CG-CE2 3.68Å; F301-Y338 HydrophobicContact CG-CE2 3.68Å; F301-Y338 HydrophobicContact CZ-CD2 4.42Å; F301-V341 HydrophobicContact CE2-CG1 4.26Å; F301-M342 HydrophobicContact CB-SD 4.23Å; F301-M342 HydrophobicContact CD2-SD 4.27Å
302	M	79.2	Confident	86	Confident	92 Å²	92	36.6 Å²	36.6	45%	0.453	19%	0.194	S	C	.	.	S	Bend	trans	-82.4	140	-178.5	-58.3	177.4	93.3	0	0	109.9	E299 T304 M342	E299-M302 HydrophobicContact CB-SD 4.47Å; E299-M302 WeakPolarHBondContact O-CB 3.4Å; E299-M302 PolarHBondContact O-N 2.89Å; M302-T304 WeakPolarHBondContact CB-OG1 3.41Å; M302-T304 PolarHBondContact O-N 3.01Å; M302-T304 VanDerWaalsContact O-N 3.14Å; M302-M342 HydrophobicContact CG-CE 4.32Å
303	Q	68.8	Low	87.3	Confident	172 Å²	172	35.5 Å²	35.5	80%	0.804	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.3	4.5	178.1	-65.1	-177.3	-1.2	0	0	113.2	G305	Q303-G305 VanDerWaalsContact C-N 3.25Å; Q303-G305 PolarHBondContact O-N 3.06Å
304	T	71.3	Confident	88	Confident	118 Å²	118	35.8 Å²	35.8	72%	0.724	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-5.7	-179.1	50.3	0	0	0	0	113.3	M302	M302-T304 WeakPolarHBondContact CB-OG1 3.41Å; M302-T304 PolarHBondContact O-N 3.01Å; M302-T304 VanDerWaalsContact O-N 3.14Å
305	G	70.1	Confident	88.4	Confident	47 Å²	47	35.8 Å²	35.8	49%	0.485	19%	0.189	S	C	.	.			trans	84.5	161.5	-173.1	0	0	0	0	0	112.3	Q303	Q303-G305 VanDerWaalsContact C-N 3.25Å; Q303-G305 PolarHBondContact O-N 3.06Å
306	Y	82.7	Confident	88.6	Confident	75 Å²	75	34.8 Å²	34.8	29%	0.294	19%	0.186	S	C	.	.			trans	-138.1	165.2	178	63.5	-88.7	0	0	0	110	R218 V300 C310	R218-Y306 VanDerWaalsContact CD-OH 3.3Å; R218-Y306 WeakPolarHBondContact CD-OH 3.29Å; R218-Y306 HydrophobicContact CG-CE2 4.16Å; R218-Y306 PolarHBondContact NE-OH 3.24Å; R218-Y306 PolarHBondContact NH1-OH 2.95Å; V300-Y306 HydrophobicContact CB-CD1 4.48Å; V300-Y306 HydrophobicContact CG1-CE1 4.34Å; V300-Y306 HydrophobicContact CG2-CD1 4.3Å; V300-Y306 HydrophobicContact CG2-CD2 4.25Å; V300-Y306 HydrophobicContact CG2-CG 4.06Å; Y306-C310 HydrophobicContact CD2-CB 4.47Å
307	N	88.3	Confident	89	Confident	68 Å²	68	34.3 Å²	34.3	36%	0.364	18%	0.183	S	C	.	.			trans	-127.9	-169.8	-179.2	65.2	27.8	0	0	0	110.5	L309 C310	N307-L309 PolarHBondContact O-N 3.23Å; N307-L309 VanDerWaalsContact O-N 3.08Å; N307-L309 WeakPolarHBondContact OD1-CB 3.38Å; N307-L309 WeakPolarHBondContact OD1-CG 3.5Å; N307-L309 PolarHBondContact OD1-N 2.95Å; N307-C310 PolarHBondContact O-N 3.35Å; N307-C310 PolarHBondContact O-SG 3.19Å
308	K	90.6	Very high	89.3	Confident	87 Å²	87	34.2 Å²	34.2	38%	0.378	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-17.5	-177.8	71	179.5	-174.8	166.6	0	114.8	H211 I216 C310 D311	H211-K308 HydrophobicContact CB-CD 4.14Å; H211-K308 PolarHBondContact CE1-O 2.74Å; I216-K308 HydrophobicContact CD1-CB 4.1Å; I216-K308 HydrophobicContact CG1-CB 3.85Å; K308-C310 PolarHBondContact O-N 3.23Å; K308-D311 PolarHBondContact O-N 2.77Å
309	L	95.1	Very high	89.6	Confident	3 Å²	3	33.9 Å²	33.9	2%	0.016	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-14.7	-178.2	-54.1	176.7	0	0	0	113	N307 D311 W312 W313 S371 R374 G376 N377	N307-L309 PolarHBondContact O-N 3.23Å; N307-L309 VanDerWaalsContact O-N 3.08Å; N307-L309 WeakPolarHBondContact OD1-CB 3.38Å; N307-L309 WeakPolarHBondContact OD1-CG 3.5Å; N307-L309 PolarHBondContact OD1-N 2.95Å; L309-D311 PolarHBondContact O-N 2.99Å; L309-W312 WeakPolarHBondContact O-CB 3.36Å; L309-W312 PolarHBondContact O-N 3.36Å; L309-W312 VanDerWaalsContact O-N 3.12Å; L309-W313 PolarHBondContact O-N 3.35Å; L309-S371 VanDerWaalsContact CD1-O 3.29Å; L309-S371 WeakPolarHBondContact CD1-O 3.23Å; L309-R374 WeakPolarHBondContact O-CD 3.43Å; L309-R374 PolarHBondContact O-NH1 2.93Å; L309-G376 WeakPolarHBondContact CD2-O 3.49Å; L309-N377 HydrophobicContact CD1-CB 3.87Å; L309-N377 WeakPolarHBondContact CD1-OD1 3.41Å
310	C	93.8	Very high	90	Very high	4 Å²	4	33.4 Å²	33.4	3%	0.027	18%	0.178	C	C	.	.	H	α-helix	trans	-62.9	-28.1	175.2	66.1	0	0	0	0	112.6	A297 V300 Y306 N307 K308 W312 W313 S314	A297-C310 HydrophobicContact CB-CB 3.83Å; V300-C310 HydrophobicContact CG2-CB 3.85Å; Y306-C310 HydrophobicContact CD2-CB 4.47Å; N307-C310 PolarHBondContact O-N 3.35Å; N307-C310 PolarHBondContact O-SG 3.19Å; K308-C310 PolarHBondContact O-N 3.23Å; C310-W312 VanDerWaalsContact C-N 3.31Å; C310-W312 PolarHBondContact O-N 3.04Å; C310-W313 WeakPolarHBondContact O-CB 3.31Å; C310-W313 PolarHBondContact O-N 3.02Å; C310-S314 PolarHBondContact O-N 3.26Å; C310-S314 PolarHBondContact O-OG 3.07Å
311	D	95.5	Very high	90.5	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-68.4	-32.8	175	-67.6	-24.5	0	0	0	111.1	I207 H211 I216 H217 R218 I220 K308 L309 S314 L315	I207-D311 HydrophobicContact CG2-CB 3.87Å; H211-D311 IonicContact CD2-OD2 3.76Å; H211-D311 IonicContact CE1-OD2 3.13Å; H211-D311 IonicContact NE2-OD2 2.94Å; H211-D311 PolarHBondContact NE2-OD2 3.49Å; I216-D311 WeakPolarHBondContact CG2-OD2 3.41Å; H217-D311 PolarHBondContact N-OD2 3.21Å; R218-D311 PolarHBondContact N-OD1 2.91Å; I220-D311 HydrophobicContact CG1-CB 4.07Å; K308-D311 PolarHBondContact O-N 2.77Å; L309-D311 PolarHBondContact O-N 2.99Å; D311-S314 WeakPolarHBondContact O-CB 3.44Å; D311-S314 PolarHBondContact O-N 3.43Å; D311-L315 PolarHBondContact O-N 3.34Å
312	W	98.1	Very high	91.3	Very high	4 Å²	4	32.5 Å²	32.5	2%	0.015	17%	0.173	C	C	.	.	H	α-helix	trans	-70.7	-34.6	175.6	-57.8	139.2	0	0	0	113.3	V204 I207 D208 H211 L309 C310 S314 L315 G316 F367 I383	V204-W312 HydrophobicContact CB-CZ3 4.46Å; V204-W312 HydrophobicContact CG1-CH2 4.35Å; V204-W312 HydrophobicContact CG1-CZ3 4.46Å; V204-W312 HydrophobicContact CG2-CZ3 4.33Å; I207-W312 HydrophobicContact CB-CE3 4.43Å; I207-W312 HydrophobicContact CB-CH2 3.59Å; I207-W312 HydrophobicContact CB-CZ3 3.55Å; I207-W312 HydrophobicContact CD1-CE3 4.17Å; I207-W312 HydrophobicContact CD1-CZ3 3.86Å; I207-W312 HydrophobicContact CG1-CZ3 4.3Å; I207-W312 HydrophobicContact CG2-CD2 4.4Å; I207-W312 HydrophobicContact CG2-CE3 3.99Å; I207-W312 HydrophobicContact CG2-CH2 3.37Å; I207-W312 HydrophobicContact CG2-CZ2 3.84Å; I207-W312 HydrophobicContact CG2-CZ3 3.46Å; I207-W312 VanDerWaalsContact CG2-CZ3 3.46Å; D208-W312 HydrophobicContact CB-CH2 4.33Å; H211-W312 AromaticContact ND1-CZ2 3.96Å; L309-W312 WeakPolarHBondContact O-CB 3.36Å; L309-W312 PolarHBondContact O-N 3.36Å; L309-W312 VanDerWaalsContact O-N 3.12Å; C310-W312 VanDerWaalsContact C-N 3.31Å; C310-W312 PolarHBondContact O-N 3.04Å; W312-S314 VanDerWaalsContact C-N 3.33Å; W312-L315 HydrophobicContact CE3-CD2 3.92Å; W312-L315 HydrophobicContact CZ3-CD2 4.01Å; W312-L315 PolarHBondContact O-N 3.2Å; W312-G316 PolarHBondContact O-N 3.11Å; W312-G316 VanDerWaalsContact O-N 3.1Å; W312-F367 HydrophobicContact CB-CD1 4.01Å; W312-F367 HydrophobicContact CB-CE1 4.25Å; W312-F367 VanDerWaalsContact O-CD1 3.31Å; W312-F367 WeakPolarHBondContact O-CD1 3.33Å; W312-I383 HydrophobicContact CD2-CD1 3.64Å; W312-I383 HydrophobicContact CE3-CD1 3.89Å; W312-I383 HydrophobicContact CG-CD1 4.11Å; W312-I383 HydrophobicContact CH2-CD1 4.17Å; W312-I383 HydrophobicContact CZ2-CD1 3.93Å; W312-I383 HydrophobicContact CZ3-CD1 4.15Å
313	W	98.1	Very high	92.2	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-59.1	-49.2	169.3	173.9	-79.8	0	0	0	110.6	I296 A297 P298 L309 C310 L315 G316 V317 F329 W344 C368	I296-W313 PolarHBondContact O-NE1 2.86Å; A297-W313 VanDerWaalsContact CA-CD1 3.43Å; A297-W313 HydrophobicContact CB-CB 3.62Å; A297-W313 HydrophobicContact CB-CD2 4.11Å; A297-W313 HydrophobicContact CB-CG 3.56Å; P298-W313 HydrophobicContact CG-CE3 4.37Å; P298-W313 HydrophobicContact CG-CH2 3.97Å; P298-W313 HydrophobicContact CG-CZ2 4.36Å; P298-W313 HydrophobicContact CG-CZ3 3.96Å; L309-W313 PolarHBondContact O-N 3.35Å; C310-W313 WeakPolarHBondContact O-CB 3.31Å; C310-W313 PolarHBondContact O-N 3.02Å; W313-L315 PolarHBondContact O-N 3.21Å; W313-G316 WeakPolarHBondContact O-CA 3.29Å; W313-G316 PolarHBondContact O-N 3.44Å; W313-V317 WeakPolarHBondContact O-CG2 3.02Å; W313-V317 PolarHBondContact O-N 3.14Å; W313-F329 HydrophobicContact CH2-CE2 4.45Å; W313-F329 HydrophobicContact CH2-CZ 4.23Å; W313-F329 AromaticContact CZ2-CE2 3.52Å; W313-F329 HydrophobicContact CZ2-CE2 3.52Å; W313-F329 AromaticContact CZ2-CZ 3.72Å; W313-F329 HydrophobicContact CZ2-CZ 3.72Å; W313-W344 HydrophobicContact CH2-CB 3.77Å; W313-W344 AromaticContact CH2-CD1 3.8Å; W313-W344 HydrophobicContact CH2-CD2 4.05Å; W313-W344 AromaticContact CH2-CG 3.59Å; W313-W344 HydrophobicContact CH2-CG 3.59Å; W313-W344 HydrophobicContact CZ2-CB 4.36Å; W313-W344 HydrophobicContact CZ3-CD2 4.38Å; W313-W344 HydrophobicContact CZ3-CG 4.32Å; W313-C368 VanDerWaalsContact CE3-CA 3.47Å; W313-C368 HydrophobicContact CE3-CB 4.21Å; W313-C368 HydrophobicContact CH2-CB 4.16Å; W313-C368 HydrophobicContact CZ2-CB 4.48Å; W313-C368 VanDerWaalsContact CZ3-CA 3.47Å; W313-C368 HydrophobicContact CZ3-CB 4.04Å
314	S	97.4	Very high	93.5	Very high	6 Å²	6	20.9 Å²	20.9	4%	0.042	12%	0.118	C	C	.	.	H	α-helix	trans	-57.5	-41	-180	-50.1	0	0	0	0	111	I220 Y295 C310 D311 W312 G316 V317 I318	I220-S314 WeakPolarHBondContact O-CB 3.25Å; Y295-S314 WeakPolarHBondContact O-CA 3.19Å; Y295-S314 WeakPolarHBondContact O-CB 3.44Å; Y295-S314 PolarHBondContact O-OG 3.2Å; C310-S314 PolarHBondContact O-N 3.26Å; C310-S314 PolarHBondContact O-OG 3.07Å; D311-S314 WeakPolarHBondContact O-CB 3.44Å; D311-S314 PolarHBondContact O-N 3.43Å; W312-S314 VanDerWaalsContact C-N 3.33Å; S314-G316 PolarHBondContact O-N 3.19Å; S314-V317 WeakPolarHBondContact O-CB 3.18Å; S314-V317 PolarHBondContact O-N 3.35Å; S314-I318 WeakPolarHBondContact O-CG1 3.19Å; S314-I318 PolarHBondContact O-N 2.9Å
315	L	98.6	Very high	94.7	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-62.7	-39.3	174.9	-173.3	60.6	0	0	0	112.9	I200 T203 V204 I207 D311 W312 W313 I318 M319 F367	I200-L315 HydrophobicContact CD1-CD1 3.58Å; I200-L315 HydrophobicContact CD1-CG 4.23Å; I200-L315 HydrophobicContact CG2-CD1 4.45Å; I200-L315 HydrophobicContact CG2-CD2 4.27Å; I200-L315 HydrophobicContact CG2-CG 4.36Å; T203-L315 HydrophobicContact CG2-CD1 3.56Å; V204-L315 HydrophobicContact CG2-CD2 3.56Å; I207-L315 HydrophobicContact CD1-CB 4.37Å; I207-L315 HydrophobicContact CD1-CD2 4.33Å; D311-L315 PolarHBondContact O-N 3.34Å; W312-L315 HydrophobicContact CE3-CD2 3.92Å; W312-L315 HydrophobicContact CZ3-CD2 4.01Å; W312-L315 PolarHBondContact O-N 3.2Å; W313-L315 PolarHBondContact O-N 3.21Å; L315-I318 PolarHBondContact O-N 3.25Å; L315-M319 PolarHBondContact O-N 2.96Å; L315-F367 HydrophobicContact CD2-CE1 4.41Å; L315-F367 HydrophobicContact CD2-CZ 4.01Å; L315-F367 HydrophobicContact CG-CZ 4.48Å
316	G	98.6	Very high	95.8	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-62.5	-40.1	173.2	0	0	0	0	0	113.2	W312 W313 S314 M319 Y320	W312-G316 PolarHBondContact O-N 3.11Å; W312-G316 VanDerWaalsContact O-N 3.1Å; W313-G316 WeakPolarHBondContact O-CA 3.29Å; W313-G316 PolarHBondContact O-N 3.44Å; S314-G316 PolarHBondContact O-N 3.19Å; G316-M319 PolarHBondContact O-N 3.1Å; G316-Y320 PolarHBondContact O-N 2.84Å
317	V	98.6	Very high	96.5	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-62.8	-42.6	174	178.1	0	0	0	0	110.7	D294 Y295 W313 S314 Y320 E321 P327 P328 F329	D294-V317 VanDerWaalsContact O-CG1 3.31Å; D294-V317 WeakPolarHBondContact O-CG1 3.48Å; Y295-V317 HydrophobicContact CD1-CB 3.99Å; Y295-V317 HydrophobicContact CD1-CG1 3.39Å; Y295-V317 HydrophobicContact CE1-CG1 3.82Å; Y295-V317 HydrophobicContact CG-CG1 4.17Å; W313-V317 WeakPolarHBondContact O-CG2 3.02Å; W313-V317 PolarHBondContact O-N 3.14Å; S314-V317 WeakPolarHBondContact O-CB 3.18Å; S314-V317 PolarHBondContact O-N 3.35Å; V317-Y320 PolarHBondContact O-N 3.45Å; V317-E321 PolarHBondContact O-N 2.83Å; V317-P327 HydrophobicContact CG1-CB 3.67Å; V317-P328 HydrophobicContact CG1-CG 4.31Å; V317-P328 HydrophobicContact CG2-CG 4.41Å; V317-F329 HydrophobicContact CG2-CE2 4.16Å
318	I	98.4	Very high	96.9	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-62.9	-44.7	175.1	-66.3	174.7	0	0	0	111	I200 I220 P222 L225 Y295 S314 L315 Y320 E321 M322	I200-I318 HydrophobicContact CD1-CG2 4.38Å; I220-I318 HydrophobicContact CG2-CD1 3.59Å; P222-I318 HydrophobicContact CG-CD1 4.42Å; P222-I318 HydrophobicContact CG-CG1 4.03Å; P222-I318 HydrophobicContact CG-CG2 4.3Å; L225-I318 HydrophobicContact CD1-CD1 4Å; L225-I318 HydrophobicContact CD1-CG2 4.49Å; Y295-I318 HydrophobicContact CD1-CG1 3.98Å; Y295-I318 HydrophobicContact CE1-CG1 4.1Å; S314-I318 WeakPolarHBondContact O-CG1 3.19Å; S314-I318 PolarHBondContact O-N 2.9Å; L315-I318 PolarHBondContact O-N 3.25Å; I318-Y320 VanDerWaalsContact C-N 3.34Å; I318-Y320 PolarHBondContact O-N 3.2Å; I318-E321 WeakPolarHBondContact O-CB 3.2Å; I318-E321 PolarHBondContact O-N 3.25Å; I318-E321 VanDerWaalsContact O-N 3.12Å; I318-M322 HydrophobicContact CG2-CE 3.68Å; I318-M322 HydrophobicContact CG2-CG 4.3Å; I318-M322 HydrophobicContact CG2-SD 4.09Å; I318-M322 WeakPolarHBondContact O-CG 3.37Å; I318-M322 PolarHBondContact O-N 3.34Å
319	M	98.8	Very high	97.1	Very high	0 Å²	0	3.4 Å²	3.4	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-60.4	-43.8	178.4	-176.7	177.6	171.4	0	0	111.7	T196 I200 L315 G316 E321 M322 L323 A360 L363 I364 F367 F388	T196-M319 HydrophobicContact CG2-CG 3.95Å; I200-M319 HydrophobicContact CD1-CB 3.73Å; I200-M319 HydrophobicContact CD1-CG 4.32Å; I200-M319 HydrophobicContact CG1-CB 4.09Å; I200-M319 HydrophobicContact CG1-CG 4.11Å; L315-M319 PolarHBondContact O-N 2.96Å; G316-M319 PolarHBondContact O-N 3.1Å; M319-E321 VanDerWaalsContact C-N 3.33Å; M319-E321 PolarHBondContact O-N 2.71Å; M319-M322 PolarHBondContact O-N 3.37Å; M319-L323 HydrophobicContact CE-CD1 4.1Å; M319-L323 HydrophobicContact CG-CD1 4.31Å; M319-L323 WeakPolarHBondContact O-CG 3.27Å; M319-L323 PolarHBondContact O-N 3.48Å; M319-A360 HydrophobicContact CE-CB 3.9Å; M319-L363 HydrophobicContact CE-CB 4.14Å; M319-L363 HydrophobicContact CE-CD2 3.94Å; M319-L363 HydrophobicContact CE-CG 4.33Å; M319-L363 HydrophobicContact SD-CB 4.22Å; M319-L363 HydrophobicContact SD-CD2 3.67Å; M319-L363 HydrophobicContact SD-CG 3.88Å; M319-I364 HydrophobicContact CB-CG1 4.16Å; M319-I364 HydrophobicContact CE-CD1 4.45Å; M319-I364 HydrophobicContact CE-CG1 4.16Å; M319-I364 HydrophobicContact CG-CD1 4.14Å; M319-I364 HydrophobicContact CG-CG1 3.83Å; M319-I364 HydrophobicContact SD-CG1 3.8Å; M319-F367 HydrophobicContact SD-CE2 4.49Å; M319-F388 HydrophobicContact CE-CD1 3.9Å; M319-F388 HydrophobicContact CE-CD2 4Å; M319-F388 HydrophobicContact CE-CE1 3.57Å; M319-F388 HydrophobicContact CE-CE2 3.71Å; M319-F388 HydrophobicContact CE-CG 4.1Å; M319-F388 HydrophobicContact CE-CZ 3.49Å; M319-F388 VanDerWaalsContact CE-CZ 3.49Å; M319-F388 HydrophobicContact SD-CE1 4.41Å
320	Y	98.7	Very high	96.9	Very high	4 Å²	4	3.4 Å²	3.4	2%	0.016	2%	0.02	C	C	.	.	H	α-helix	trans	-59.3	-46.3	173.2	-176.7	-73.7	0	0	0	110.7	G316 V317 I318 M322 L323 I324 Y326 P328 L348 V349 F350 I364	G316-Y320 PolarHBondContact O-N 2.84Å; V317-Y320 PolarHBondContact O-N 3.45Å; I318-Y320 VanDerWaalsContact C-N 3.34Å; I318-Y320 PolarHBondContact O-N 3.2Å; Y320-M322 PolarHBondContact O-N 2.91Å; Y320-L323 PolarHBondContact O-N 3.34Å; Y320-I324 HydrophobicContact CD1-CB 3.83Å; Y320-I324 HydrophobicContact CD1-CG1 3.74Å; Y320-I324 HydrophobicContact CD1-CG2 4.4Å; Y320-I324 HydrophobicContact CD2-CG1 4.14Å; Y320-I324 HydrophobicContact CE1-CB 3.56Å; Y320-I324 HydrophobicContact CE1-CG1 3.61Å; Y320-I324 HydrophobicContact CE1-CG2 3.63Å; Y320-I324 HydrophobicContact CE2-CG1 4.03Å; Y320-I324 HydrophobicContact CG-CG1 4.02Å; Y320-I324 VanDerWaalsContact O-CB 3.25Å; Y320-I324 WeakPolarHBondContact O-CB 3.43Å; Y320-I324 VanDerWaalsContact O-CG1 3.25Å; Y320-I324 WeakPolarHBondContact O-CG1 3.49Å; Y320-I324 PolarHBondContact O-N 3.01Å; Y320-Y326 WeakPolarHBondContact CD1-O 3.25Å; Y320-Y326 HydrophobicContact CE1-CD2 4.34Å; Y320-Y326 HydrophobicContact CE1-CE2 4.11Å; Y320-Y326 VanDerWaalsContact CE1-O 3.31Å; Y320-Y326 WeakPolarHBondContact CE1-O 3.47Å; Y320-P328 HydrophobicContact CD1-CB 4.02Å; Y320-P328 VanDerWaalsContact CD1-CD 3.48Å; Y320-P328 HydrophobicContact CD1-CG 4.23Å; Y320-P328 HydrophobicContact CD2-CB 4.09Å; Y320-P328 HydrophobicContact CD2-CG 4.46Å; Y320-P328 HydrophobicContact CE1-CB 3.99Å; Y320-P328 HydrophobicContact CE2-CB 4.05Å; Y320-P328 HydrophobicContact CG-CB 4.08Å; Y320-P328 HydrophobicContact CG-CG 4.12Å; Y320-L348 HydrophobicContact CD2-CD1 4.23Å; Y320-L348 HydrophobicContact CE2-CD1 4.26Å; Y320-V349 PolarHBondContact OH-O 3.33Å; Y320-F350 HydrophobicContact CD2-CD1 4.15Å; Y320-F350 AromaticContact CD2-CE1 3.8Å; Y320-F350 HydrophobicContact CD2-CE1 3.8Å; Y320-F350 AromaticContact CE2-CD1 3.81Å; Y320-F350 HydrophobicContact CE2-CD1 3.81Å; Y320-F350 AromaticContact CE2-CE1 3.91Å; Y320-F350 HydrophobicContact CE2-CE1 3.91Å; Y320-I364 HydrophobicContact CD2-CD1 4.44Å; Y320-I364 HydrophobicContact CD2-CG2 4.2Å
321	E	97.8	Very high	96.6	Very high	3 Å²	3	3.9 Å²	3.9	1%	0.014	2%	0.023	C	C	.	.	H	α-helix	trans	-62.9	-40.9	179.9	-175.4	-169	120.6	0	0	113.1	L185 R282 Y295 V317 I318 M319 L323 G325	L185-E321 HydrophobicContact CD1-CG 4.47Å; L185-E321 WeakPolarHBondContact CD1-OE1 3.4Å; R282-E321 IonicContact CZ-OE1 3.75Å; R282-E321 IonicContact CZ-OE2 2.64Å; R282-E321 IonicContact NH1-OE1 3.73Å; R282-E321 PolarHBondContact NH1-OE1 2.6Å; R282-E321 IonicContact NH1-OE2 3.09Å; R282-E321 PolarHBondContact NH1-OE2 3.2Å; R282-E321 IonicContact NH2-OE1 3.69Å; R282-E321 PolarHBondContact NH2-OE1 3.31Å; R282-E321 IonicContact NH2-OE2 2.98Å; R282-E321 PolarHBondContact NH2-OE2 2.91Å; Y295-E321 PolarHBondContact OH-OE2 2.99Å; V317-E321 PolarHBondContact O-N 2.83Å; I318-E321 WeakPolarHBondContact O-CB 3.2Å; I318-E321 PolarHBondContact O-N 3.25Å; I318-E321 VanDerWaalsContact O-N 3.12Å; M319-E321 VanDerWaalsContact C-N 3.33Å; M319-E321 PolarHBondContact O-N 2.71Å; E321-L323 VanDerWaalsContact C-N 3.27Å; E321-L323 PolarHBondContact O-N 3.3Å; E321-G325 VanDerWaalsContact O-CA 3.22Å; E321-G325 WeakPolarHBondContact O-CA 3.34Å; E321-G325 PolarHBondContact O-N 3.03Å
322	M	98.3	Very high	96	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-57.3	-42.4	176.3	-73.7	174.1	168.1	0	0	111.2	M181 L185 T190 L191 T196 I200 I318 M319 Y320	M181-M322 HydrophobicContact CE-CE 3.86Å; M181-M322 HydrophobicContact CG-CE 3.81Å; M181-M322 HydrophobicContact SD-CE 3.68Å; L185-M322 HydrophobicContact CD1-CG 4.26Å; L185-M322 HydrophobicContact CD2-CG 4.14Å; T190-M322 CarbonylContact C-O 3.49Å; T190-M322 VanDerWaalsContact CA-O 3.32Å; T190-M322 WeakPolarHBondContact CA-O 3.39Å; T190-M322 WeakPolarHBondContact CB-O 3.14Å; L191-M322 HydrophobicContact CB-CB 4.4Å; L191-M322 HydrophobicContact CD1-CB 4.28Å; L191-M322 HydrophobicContact CD1-CE 4.35Å; L191-M322 HydrophobicContact CD1-CG 3.96Å; L191-M322 HydrophobicContact CD1-SD 4.17Å; L191-M322 HydrophobicContact CG-CB 4.43Å; L191-M322 PolarHBondContact N-O 2.71Å; T196-M322 HydrophobicContact CG2-CB 4.08Å; T196-M322 HydrophobicContact CG2-SD 3.98Å; I200-M322 HydrophobicContact CD1-SD 3.89Å; I200-M322 HydrophobicContact CG1-SD 4.11Å; I318-M322 HydrophobicContact CG2-CE 3.68Å; I318-M322 HydrophobicContact CG2-CG 4.3Å; I318-M322 HydrophobicContact CG2-SD 4.09Å; I318-M322 WeakPolarHBondContact O-CG 3.37Å; I318-M322 PolarHBondContact O-N 3.34Å; M319-M322 PolarHBondContact O-N 3.37Å; Y320-M322 PolarHBondContact O-N 2.91Å
323	L	98.2	Very high	95.4	Very high	14 Å²	14	12.8 Å²	12.8	7%	0.073	7%	0.069	C	C	.	.	H	α-helix	trans	-86.3	-32.2	-174.9	-63.6	173.3	0	0	0	113.7	E193 T196 M319 Y320 E321 I356 A360 I364	E193-L323 HydrophobicContact CG-CD2 3.77Å; T196-L323 HydrophobicContact CG2-CD1 4.33Å; T196-L323 HydrophobicContact CG2-CD2 4.1Å; T196-L323 HydrophobicContact CG2-CG 4.05Å; T196-L323 WeakPolarHBondContact OG1-CD2 3.33Å; M319-L323 HydrophobicContact CE-CD1 4.1Å; M319-L323 HydrophobicContact CG-CD1 4.31Å; M319-L323 WeakPolarHBondContact O-CG 3.27Å; M319-L323 PolarHBondContact O-N 3.48Å; Y320-L323 PolarHBondContact O-N 3.34Å; E321-L323 VanDerWaalsContact C-N 3.27Å; E321-L323 PolarHBondContact O-N 3.3Å; L323-I356 HydrophobicContact CB-CD1 4.3Å; L323-I356 HydrophobicContact CD1-CD1 3.8Å; L323-I356 HydrophobicContact CD1-CG1 4.29Å; L323-A360 HydrophobicContact CD1-CB 3.82Å; L323-I364 HydrophobicContact CD1-CD1 4.25Å
324	I	97.3	Very high	94.9	Very high	6 Å²	6	14 Å²	14	3%	0.031	8%	0.076	C	C	.	.	H	α-helix	trans	-103.9	-27.3	-172.4	-52.4	-57.9	0	0	0	112.4	Y320 Y326 P351 V354 I356	Y320-I324 HydrophobicContact CD1-CB 3.83Å; Y320-I324 HydrophobicContact CD1-CG1 3.74Å; Y320-I324 HydrophobicContact CD1-CG2 4.4Å; Y320-I324 HydrophobicContact CD2-CG1 4.14Å; Y320-I324 HydrophobicContact CE1-CB 3.56Å; Y320-I324 HydrophobicContact CE1-CG1 3.61Å; Y320-I324 HydrophobicContact CE1-CG2 3.63Å; Y320-I324 HydrophobicContact CE2-CG1 4.03Å; Y320-I324 HydrophobicContact CG-CG1 4.02Å; Y320-I324 VanDerWaalsContact O-CB 3.25Å; Y320-I324 WeakPolarHBondContact O-CB 3.43Å; Y320-I324 VanDerWaalsContact O-CG1 3.25Å; Y320-I324 WeakPolarHBondContact O-CG1 3.49Å; Y320-I324 PolarHBondContact O-N 3.01Å; I324-Y326 HydrophobicContact CG2-CD1 4.31Å; I324-Y326 HydrophobicContact CG2-CE1 3.79Å; I324-Y326 HydrophobicContact CG2-CE2 4.26Å; I324-P351 HydrophobicContact CG2-CG 3.96Å; I324-V354 HydrophobicContact CD1-CB 4.22Å; I324-V354 HydrophobicContact CD1-CG1 3.62Å; I324-I356 HydrophobicContact CD1-CD1 4.26Å
325	G	95.2	Very high	94.3	Very high	5 Å²	5	16.6 Å²	16.6	5%	0.052	9%	0.088	C	C	.	.	S	Bend	trans	98.7	-0.3	177	0	0	0	0	0	115.6	E321	E321-G325 VanDerWaalsContact O-CA 3.22Å; E321-G325 WeakPolarHBondContact O-CA 3.34Å; E321-G325 PolarHBondContact O-N 3.03Å
326	Y	94.6	Very high	93.9	Very high	8 Å²	8	17.5 Å²	17.5	3%	0.031	9%	0.092	C	C	.	.	S	Bend	trans	-155.3	154.1	173.1	56.9	-94.7	0	0	0	110	S271 K274 A275 Y320 I324 C330 P351	S271-Y326 WeakPolarHBondContact O-CE1 3.46Å; S271-Y326 WeakPolarHBondContact OG-CE1 3.43Å; K274-Y326 HydrophobicContact CB-CD1 3.84Å; K274-Y326 HydrophobicContact CB-CD2 4.48Å; K274-Y326 HydrophobicContact CB-CE1 3.63Å; K274-Y326 HydrophobicContact CB-CE2 4.33Å; K274-Y326 HydrophobicContact CB-CG 4.26Å; K274-Y326 HydrophobicContact CD-CE1 4.43Å; K274-Y326 HydrophobicContact CD-CE2 4.13Å; A275-Y326 HydrophobicContact CB-CD1 3.95Å; Y320-Y326 WeakPolarHBondContact CD1-O 3.25Å; Y320-Y326 HydrophobicContact CE1-CD2 4.34Å; Y320-Y326 HydrophobicContact CE1-CE2 4.11Å; Y320-Y326 VanDerWaalsContact CE1-O 3.31Å; Y320-Y326 WeakPolarHBondContact CE1-O 3.47Å; I324-Y326 HydrophobicContact CG2-CD1 4.31Å; I324-Y326 HydrophobicContact CG2-CE1 3.79Å; I324-Y326 HydrophobicContact CG2-CE2 4.26Å; Y326-C330 VanDerWaalsContact CD2-SG 3.54Å; Y326-P351 VanDerWaalsContact OH-CG 3.22Å; Y326-P351 WeakPolarHBondContact OH-CG 3.46Å
327	P	96.1	Very high	93.5	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.092	C	C	.	.			trans	-72.7	147	178.6	25.1	-26.2	0	0	0	111.1	W278 D294 Y295 V317 F329 C330	W278-P327 HydrophobicContact CD2-CG 4.27Å; W278-P327 HydrophobicContact CE3-CG 4.33Å; W278-P327 HydrophobicContact CH2-CG 3.53Å; W278-P327 VanDerWaalsContact CZ2-CD 3.44Å; W278-P327 HydrophobicContact CZ2-CG 3.44Å; W278-P327 VanDerWaalsContact CZ2-CG 3.44Å; W278-P327 HydrophobicContact CZ3-CG 3.98Å; D294-P327 HydrophobicContact CB-CB 4.23Å; D294-P327 HydrophobicContact CB-CG 3.97Å; Y295-P327 HydrophobicContact CE1-CB 4.33Å; V317-P327 HydrophobicContact CG1-CB 3.67Å; P327-F329 PolarHBondContact O-N 3.02Å; P327-C330 HydrophobicContact CG-CB 4Å; P327-C330 WeakPolarHBondContact O-CB 3.42Å; P327-C330 PolarHBondContact O-N 2.82Å; P327-C330 VanDerWaalsContact O-N 3.09Å; P327-C330 PolarHBondContact O-SG 2.5Å
328	P	96.4	Very high	93.1	Very high	14 Å²	14	18 Å²	18	9%	0.091	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-30.6	-168	20.5	-33.6	0	0	0	114.2	V317 Y320 L348	V317-P328 HydrophobicContact CG1-CG 4.31Å; V317-P328 HydrophobicContact CG2-CG 4.41Å; Y320-P328 HydrophobicContact CD1-CB 4.02Å; Y320-P328 VanDerWaalsContact CD1-CD 3.48Å; Y320-P328 HydrophobicContact CD1-CG 4.23Å; Y320-P328 HydrophobicContact CD2-CB 4.09Å; Y320-P328 HydrophobicContact CD2-CG 4.46Å; Y320-P328 HydrophobicContact CE1-CB 3.99Å; Y320-P328 HydrophobicContact CE2-CB 4.05Å; Y320-P328 HydrophobicContact CG-CB 4.08Å; Y320-P328 HydrophobicContact CG-CG 4.12Å; P328-L348 HydrophobicContact CB-CD1 3.5Å; P328-L348 HydrophobicContact CG-CD1 4.02Å
329	F	95.4	Very high	92.7	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	7.9	-174.6	-46.3	-62.9	0	0	0	113.6	W313 V317 P327 S331 T337 K340 V341 W344 L348	W313-F329 HydrophobicContact CH2-CE2 4.45Å; W313-F329 HydrophobicContact CH2-CZ 4.23Å; W313-F329 AromaticContact CZ2-CE2 3.52Å; W313-F329 HydrophobicContact CZ2-CE2 3.52Å; W313-F329 AromaticContact CZ2-CZ 3.72Å; W313-F329 HydrophobicContact CZ2-CZ 3.72Å; V317-F329 HydrophobicContact CG2-CE2 4.16Å; P327-F329 PolarHBondContact O-N 3.02Å; F329-S331 PolarHBondContact O-N 3.32Å; F329-S331 PolarHBondContact O-OG 3.41Å; F329-T337 HydrophobicContact CB-CG2 4.26Å; F329-T337 WeakPolarHBondContact O-CA 3.36Å; F329-T337 WeakPolarHBondContact O-CG2 3.44Å; F329-T337 PolarHBondContact O-OG1 3.21Å; F329-K340 HydrophobicContact CB-CB 3.95Å; F329-K340 HydrophobicContact CD1-CB 4.09Å; F329-K340 HydrophobicContact CG-CB 4.45Å; F329-V341 HydrophobicContact CB-CG2 3.74Å; F329-V341 HydrophobicContact CD2-CG2 3.71Å; F329-V341 HydrophobicContact CG-CG2 3.74Å; F329-W344 HydrophobicContact CE1-CB 3.82Å; F329-W344 HydrophobicContact CZ-CB 3.88Å; F329-L348 HydrophobicContact CE1-CB 4.02Å; F329-L348 HydrophobicContact CZ-CB 4.26Å; F329-L348 HydrophobicContact CZ-CD1 4.29Å
330	C	90.9	Very high	92.5	Very high	4 Å²	4	20.7 Å²	20.7	3%	0.027	11%	0.105	C	C	.	.			trans	-56.2	142.9	-177.4	68.1	0	0	0	0	112	F266 W278 D294 Y326 P327 K340	F266-C330 WeakPolarHBondContact CE1-O 3.36Å; W278-C330 HydrophobicContact CD2-CB 4.42Å; W278-C330 HydrophobicContact CE3-CB 3.7Å; W278-C330 HydrophobicContact CZ3-CB 3.92Å; D294-C330 VanDerWaalsContact OD1-CA 3.32Å; D294-C330 WeakPolarHBondContact OD1-CA 3.42Å; Y326-C330 VanDerWaalsContact CD2-SG 3.54Å; P327-C330 HydrophobicContact CG-CB 4Å; P327-C330 WeakPolarHBondContact O-CB 3.42Å; P327-C330 PolarHBondContact O-N 2.82Å; P327-C330 VanDerWaalsContact O-N 3.09Å; P327-C330 PolarHBondContact O-SG 2.5Å; C330-K340 PolarHBondContact O-NZ 3.14Å
331	S	88	Confident	92.3	Very high	13 Å²	13	20.5 Å²	20.5	9%	0.091	10%	0.104	C	C	.	.			trans	-151.6	170.1	179.8	-52.1	0	0	0	0	109.7	F329 T333 T337 K340	F329-S331 PolarHBondContact O-N 3.32Å; F329-S331 PolarHBondContact O-OG 3.41Å; S331-T333 VanDerWaalsContact C-N 3.25Å; S331-T333 PolarHBondContact O-N 3.15Å; S331-T337 WeakPolarHBondContact CB-OG1 3.37Å; S331-T337 PolarHBondContact N-OG1 3.05Å; S331-T337 PolarHBondContact OG-N 3.29Å; S331-K340 WeakPolarHBondContact OG-CD 3.5Å; S331-K340 WeakPolarHBondContact OG-CE 3.36Å; S331-K340 PolarHBondContact OG-NZ 3.13Å
332	E	83.4	Confident	92	Very high	137 Å²	137	22.2 Å²	22.2	64%	0.64	11%	0.112	S	C	*	.	S	Bend	trans	-68.8	-24.7	175.6	-63.3	-172.3	161.2	0	0	113	F266	F266-E332 HydrophobicContact CD2-CG 3.98Å; F266-E332 HydrophobicContact CE2-CG 4.49Å
333	T	85.3	Confident	91.8	Very high	55 Å²	55	24 Å²	24	34%	0.337	12%	0.122	S	C	.	.	S	Bend	trans	-129.3	146.1	-178.9	71	0	0	0	0	112.2	S331 Q335 E336 T337	S331-T333 VanDerWaalsContact C-N 3.25Å; S331-T333 PolarHBondContact O-N 3.15Å; T333-Q335 PolarHBondContact O-N 3.22Å; T333-E336 PolarHBondContact O-N 2.96Å; T333-E336 VanDerWaalsContact O-N 3.17Å; T333-E336 WeakPolarHBondContact OG1-CG 3.39Å; T333-E336 PolarHBondContact OG1-N 3.02Å; T333-T337 PolarHBondContact O-N 3.1Å; T333-T337 VanDerWaalsContact O-N 3.11Å; T333-T337 PolarHBondContact O-OG1 3.37Å
334	P	86.1	Confident	91.6	Very high	24 Å²	24	24.8 Å²	24.8	16%	0.156	12%	0.124	C	C	.	.	H	α-helix	trans	-55.8	-32.2	175.1	-24.2	31.7	0	0	0	113.7	A247 T292 Y338	A247-P334 HydrophobicContact CB-CB 4.21Å; T292-P334 HydrophobicContact CG2-CG 4.15Å; P334-Y338 WeakPolarHBondContact O-CB 3.37Å; P334-Y338 PolarHBondContact O-N 2.88Å
335	Q	86.5	Confident	91.5	Very high	61 Å²	61	31.3 Å²	31.3	29%	0.285	15%	0.152	S	C	.	.	H	α-helix	trans	-65.8	-42.2	178.6	-71.5	83.9	-2.2	0	0	112.7	L256 T333 Y338 R339	L256-Q335 HydrophobicContact CD1-CG 4.21Å; L256-Q335 HydrophobicContact CD2-CB 3.72Å; L256-Q335 HydrophobicContact CD2-CG 3.83Å; T333-Q335 PolarHBondContact O-N 3.22Å; Q335-Y338 WeakPolarHBondContact O-CB 3.48Å; Q335-Y338 PolarHBondContact O-N 3.28Å; Q335-R339 WeakPolarHBondContact O-CG 3.31Å; Q335-R339 PolarHBondContact O-N 3.04Å; Q335-R339 VanDerWaalsContact O-N 3.1Å
336	E	89.3	Confident	91.5	Very high	20 Å²	20	38.1 Å²	38.1	9%	0.093	18%	0.183	C	C	.	.	H	α-helix	trans	-72.3	-39.6	175.7	-66.9	-59.4	155.3	0	0	111.2	P261 S262 D263 T333 Y338 R339 K340	P261-E336 WeakPolarHBondContact CA-OE2 3.45Å; P261-E336 VanDerWaalsContact CB-OE2 3.28Å; P261-E336 WeakPolarHBondContact CB-OE2 3.46Å; S262-E336 PolarHBondContact N-OE2 2.97Å; S262-E336 PolarHBondContact OG-OE1 3.01Å; D263-E336 HydrophobicContact CB-CG 4.29Å; T333-E336 PolarHBondContact O-N 2.96Å; T333-E336 VanDerWaalsContact O-N 3.17Å; T333-E336 WeakPolarHBondContact OG1-CG 3.39Å; T333-E336 PolarHBondContact OG1-N 3.02Å; E336-Y338 VanDerWaalsContact C-N 3.29Å; E336-Y338 PolarHBondContact O-N 3.01Å; E336-R339 PolarHBondContact O-N 3.42Å; E336-R339 VanDerWaalsContact O-N 3.14Å; E336-R339 IonicContact OE1-CZ 2.78Å; E336-R339 IonicContact OE1-NH1 3.74Å; E336-R339 PolarHBondContact OE1-NH1 3.45Å; E336-R339 IonicContact OE2-NH1 2.6Å; E336-R339 PolarHBondContact OE2-NH1 2.94Å; E336-K340 PolarHBondContact O-N 2.83Å
337	T	91	Very high	91.5	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-56.2	-46	171.1	-60.7	0	0	0	0	110.7	P293 D294 F329 S331 T333 R339 K340 V341	P293-T337 HydrophobicContact CG-CG2 3.72Å; D294-T337 HydrophobicContact CB-CG2 4.41Å; D294-T337 WeakPolarHBondContact OD1-CG2 3.18Å; F329-T337 HydrophobicContact CB-CG2 4.26Å; F329-T337 WeakPolarHBondContact O-CA 3.36Å; F329-T337 WeakPolarHBondContact O-CG2 3.44Å; F329-T337 PolarHBondContact O-OG1 3.21Å; S331-T337 WeakPolarHBondContact CB-OG1 3.37Å; S331-T337 PolarHBondContact N-OG1 3.05Å; S331-T337 PolarHBondContact OG-N 3.29Å; T333-T337 PolarHBondContact O-N 3.1Å; T333-T337 VanDerWaalsContact O-N 3.11Å; T333-T337 PolarHBondContact O-OG1 3.37Å; T337-R339 PolarHBondContact O-N 3.26Å; T337-K340 PolarHBondContact O-N 3.32Å; T337-V341 HydrophobicContact CG2-CG2 4.36Å; T337-V341 WeakPolarHBondContact O-CG2 3.49Å; T337-V341 PolarHBondContact O-N 3.03Å
338	Y	89.5	Confident	91.6	Very high	11 Å²	11	40 Å²	40	4%	0.043	19%	0.194	C	C	.	.	H	α-helix	trans	-57.4	-45.9	175.4	169.3	-97.3	0	0	0	112.6	Y253 L256 H258 F301 P334 Q335 E336 K340 V341 M342	Y253-Y338 AromaticContact CD1-CD1 3.81Å; Y253-Y338 HydrophobicContact CD1-CD1 3.81Å; Y253-Y338 AromaticContact CD1-CD2 3.89Å; Y253-Y338 HydrophobicContact CD1-CD2 3.89Å; Y253-Y338 HydrophobicContact CD1-CE1 4.33Å; Y253-Y338 HydrophobicContact CD1-CE2 4.39Å; Y253-Y338 AromaticContact CD1-CG 3.54Å; Y253-Y338 HydrophobicContact CD1-CG 3.54Å; Y253-Y338 AromaticContact CD2-CD2 3.75Å; Y253-Y338 HydrophobicContact CD2-CD2 3.75Å; Y253-Y338 AromaticContact CD2-CE2 3.93Å; Y253-Y338 HydrophobicContact CD2-CE2 3.93Å; Y253-Y338 HydrophobicContact CD2-CG 4.28Å; Y253-Y338 VanDerWaalsContact CE1-CB 3.49Å; Y253-Y338 HydrophobicContact CE1-CD1 4.4Å; Y253-Y338 HydrophobicContact CE1-CD2 4.14Å; Y253-Y338 AromaticContact CE1-CG 3.76Å; Y253-Y338 HydrophobicContact CE1-CG 3.76Å; Y253-Y338 AromaticContact CE2-CD2 3.99Å; Y253-Y338 HydrophobicContact CE2-CD2 3.99Å; Y253-Y338 HydrophobicContact CE2-CG 4.45Å; Y253-Y338 HydrophobicContact CG-CD1 4.13Å; Y253-Y338 AromaticContact CG-CD2 3.69Å; Y253-Y338 HydrophobicContact CG-CD2 3.69Å; Y253-Y338 HydrophobicContact CG-CE1 4.25Å; Y253-Y338 AromaticContact CG-CE2 3.82Å; Y253-Y338 HydrophobicContact CG-CE2 3.82Å; Y253-Y338 AromaticContact CG-CG 3.83Å; Y253-Y338 HydrophobicContact CG-CG 3.83Å; L256-Y338 HydrophobicContact CB-CE1 4.48Å; L256-Y338 HydrophobicContact CD2-CD1 4.19Å; H258-Y338 AromaticContact CE1-CZ 3.8Å; H258-Y338 PolarHBondContact CE1-OH 3.01Å; F301-Y338 HydrophobicContact CB-CE2 3.87Å; F301-Y338 HydrophobicContact CD1-CD2 4.19Å; F301-Y338 HydrophobicContact CD1-CE2 4.01Å; F301-Y338 HydrophobicContact CD2-CD2 4.07Å; F301-Y338 HydrophobicContact CD2-CE2 4.02Å; F301-Y338 HydrophobicContact CE1-CD2 4.38Å; F301-Y338 HydrophobicContact CE2-CD2 4.26Å; F301-Y338 HydrophobicContact CG-CD2 4.05Å; F301-Y338 AromaticContact CG-CE2 3.68Å; F301-Y338 HydrophobicContact CG-CE2 3.68Å; F301-Y338 HydrophobicContact CZ-CD2 4.42Å; P334-Y338 WeakPolarHBondContact O-CB 3.37Å; P334-Y338 PolarHBondContact O-N 2.88Å; Q335-Y338 WeakPolarHBondContact O-CB 3.48Å; Q335-Y338 PolarHBondContact O-N 3.28Å; E336-Y338 VanDerWaalsContact C-N 3.29Å; E336-Y338 PolarHBondContact O-N 3.01Å; Y338-K340 VanDerWaalsContact C-N 3.32Å; Y338-K340 PolarHBondContact O-N 3.11Å; Y338-V341 PolarHBondContact O-N 3.01Å; Y338-M342 HydrophobicContact CD1-CG 4.48Å; Y338-M342 HydrophobicContact CD2-CG 4.16Å; Y338-M342 HydrophobicContact CE1-CG 4.09Å; Y338-M342 HydrophobicContact CE2-CG 3.74Å; Y338-M342 HydrophobicContact CE2-SD 4.13Å; Y338-M342 WeakPolarHBondContact O-CG 3.4Å; Y338-M342 PolarHBondContact O-N 3.47Å
339	R	90.8	Very high	91.5	Very high	42 Å²	42	43.5 Å²	43.5	16%	0.158	22%	0.215	C	C	.	.	H	α-helix	trans	-62.4	-38.8	176.8	-71.8	-178.8	-169.8	111	-9.7	112.2	N259 P261 Q335 E336 T337 N343	N259-R339 VanDerWaalsContact O-CD 3.3Å; N259-R339 WeakPolarHBondContact O-CD 3.42Å; P261-R339 HydrophobicContact CB-CB 4.21Å; Q335-R339 WeakPolarHBondContact O-CG 3.31Å; Q335-R339 PolarHBondContact O-N 3.04Å; Q335-R339 VanDerWaalsContact O-N 3.1Å; E336-R339 PolarHBondContact O-N 3.42Å; E336-R339 VanDerWaalsContact O-N 3.14Å; E336-R339 IonicContact OE1-CZ 2.78Å; E336-R339 IonicContact OE1-NH1 3.74Å; E336-R339 PolarHBondContact OE1-NH1 3.45Å; E336-R339 IonicContact OE2-NH1 2.6Å; E336-R339 PolarHBondContact OE2-NH1 2.94Å; T337-R339 PolarHBondContact O-N 3.26Å; R339-N343 WeakPolarHBondContact O-CB 3.28Å; R339-N343 PolarHBondContact O-N 3.49Å; R339-N343 VanDerWaalsContact O-N 3.09Å; R339-N343 PolarHBondContact O-ND2 2.89Å
340	K	93.7	Very high	91.6	Very high	13 Å²	13	45.3 Å²	45.3	6%	0.057	22%	0.223	C	C	.	.	H	α-helix	trans	-63.6	-50.8	174	-72.5	178.8	-174.5	160.5	0	111.2	P261 D263 F329 C330 S331 E336 T337 Y338 M342 N343 W344 T347	P261-K340 HydrophobicContact CB-CG 4.01Å; P261-K340 HydrophobicContact CG-CG 3.86Å; D263-K340 IonicContact OD1-NZ 3.53Å; D263-K340 WeakPolarHBondContact OD2-CE 3.37Å; D263-K340 IonicContact OD2-NZ 3.43Å; D263-K340 PolarHBondContact OD2-NZ 3.41Å; F329-K340 HydrophobicContact CB-CB 3.95Å; F329-K340 HydrophobicContact CD1-CB 4.09Å; F329-K340 HydrophobicContact CG-CB 4.45Å; C330-K340 PolarHBondContact O-NZ 3.14Å; S331-K340 WeakPolarHBondContact OG-CD 3.5Å; S331-K340 WeakPolarHBondContact OG-CE 3.36Å; S331-K340 PolarHBondContact OG-NZ 3.13Å; E336-K340 PolarHBondContact O-N 2.83Å; T337-K340 PolarHBondContact O-N 3.32Å; Y338-K340 VanDerWaalsContact C-N 3.32Å; Y338-K340 PolarHBondContact O-N 3.11Å; K340-M342 VanDerWaalsContact C-N 3.32Å; K340-M342 PolarHBondContact O-N 2.8Å; K340-N343 CarbonylContact O-C 3.6Å; K340-N343 WeakPolarHBondContact O-CA 3.38Å; K340-N343 PolarHBondContact O-N 2.83Å; K340-W344 PolarHBondContact O-N 3.3Å; K340-T347 HydrophobicContact CB-CG2 4.34Å; K340-T347 HydrophobicContact CG-CG2 4.14Å; K340-T347 PolarHBondContact O-OG1 2.98Å
341	V	93.8	Very high	91.7	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-55.1	-45.9	177	171.7	0	0	0	0	111.7	I296 P298 F301 F329 T337 Y338 N343 W344	I296-V341 WeakPolarHBondContact O-CG1 3.21Å; P298-V341 HydrophobicContact CB-CG1 4.16Å; F301-V341 HydrophobicContact CE2-CG1 4.26Å; F329-V341 HydrophobicContact CB-CG2 3.74Å; F329-V341 HydrophobicContact CD2-CG2 3.71Å; F329-V341 HydrophobicContact CG-CG2 3.74Å; T337-V341 HydrophobicContact CG2-CG2 4.36Å; T337-V341 WeakPolarHBondContact O-CG2 3.49Å; T337-V341 PolarHBondContact O-N 3.03Å; Y338-V341 PolarHBondContact O-N 3.01Å; V341-N343 VanDerWaalsContact C-N 3.26Å; V341-N343 PolarHBondContact O-N 3.19Å; V341-W344 WeakPolarHBondContact O-CB 3.39Å; V341-W344 PolarHBondContact O-N 3.07Å
342	M	91.9	Very high	91.8	Very high	39 Å²	39	51.4 Å²	51.4	19%	0.192	26%	0.263	C	S	.	.	H	α-helix	trans	-69.2	-23.7	179.1	-66.4	-55.8	-56.4	0	0	113.4	P298 F301 M302 Y338 K340	P298-M342 HydrophobicContact CB-SD 4.15Å; F301-M342 HydrophobicContact CB-SD 4.23Å; F301-M342 HydrophobicContact CD2-SD 4.27Å; M302-M342 HydrophobicContact CG-CE 4.32Å; Y338-M342 HydrophobicContact CD1-CG 4.48Å; Y338-M342 HydrophobicContact CD2-CG 4.16Å; Y338-M342 HydrophobicContact CE1-CG 4.09Å; Y338-M342 HydrophobicContact CE2-CG 3.74Å; Y338-M342 HydrophobicContact CE2-SD 4.13Å; Y338-M342 WeakPolarHBondContact O-CG 3.4Å; Y338-M342 PolarHBondContact O-N 3.47Å; K340-M342 VanDerWaalsContact C-N 3.32Å; K340-M342 PolarHBondContact O-N 2.8Å
343	N	93.9	Very high	92.2	Very high	39 Å²	39	49.9 Å²	49.9	21%	0.209	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110	36.8	176.3	-64	-74.9	0	0	0	111.1	H258 R339 K340 V341 K345 E346 T347	H258-N343 PolarHBondContact O-ND2 3.34Å; R339-N343 WeakPolarHBondContact O-CB 3.28Å; R339-N343 PolarHBondContact O-N 3.49Å; R339-N343 VanDerWaalsContact O-N 3.09Å; R339-N343 PolarHBondContact O-ND2 2.89Å; K340-N343 CarbonylContact O-C 3.6Å; K340-N343 WeakPolarHBondContact O-CA 3.38Å; K340-N343 PolarHBondContact O-N 2.83Å; V341-N343 VanDerWaalsContact C-N 3.26Å; V341-N343 PolarHBondContact O-N 3.19Å; N343-K345 PolarHBondContact O-N 3.32Å; N343-K345 VanDerWaalsContact O-N 3.12Å; N343-E346 PolarHBondContact O-N 3.42Å; N343-T347 HydrophobicContact CB-CG2 4.33Å; N343-T347 WeakPolarHBondContact O-CG2 3.35Å; N343-T347 PolarHBondContact O-N 3.02Å; N343-T347 PolarHBondContact O-OG1 3.2Å
344	W	95.5	Very high	92.5	Very high	29 Å²	29	48.6 Å²	48.6	11%	0.11	25%	0.247	C	C	.	.	H	α-helix	trans	-57.5	-30.1	-174.1	65.4	-96.3	0	0	0	113.2	W313 F329 K340 V341 E346 T347 L348 C368 I369 D370	W313-W344 HydrophobicContact CH2-CB 3.77Å; W313-W344 AromaticContact CH2-CD1 3.8Å; W313-W344 HydrophobicContact CH2-CD2 4.05Å; W313-W344 AromaticContact CH2-CG 3.59Å; W313-W344 HydrophobicContact CH2-CG 3.59Å; W313-W344 HydrophobicContact CZ2-CB 4.36Å; W313-W344 HydrophobicContact CZ3-CD2 4.38Å; W313-W344 HydrophobicContact CZ3-CG 4.32Å; F329-W344 HydrophobicContact CE1-CB 3.82Å; F329-W344 HydrophobicContact CZ-CB 3.88Å; K340-W344 PolarHBondContact O-N 3.3Å; V341-W344 WeakPolarHBondContact O-CB 3.39Å; V341-W344 PolarHBondContact O-N 3.07Å; W344-E346 PolarHBondContact O-N 3.1Å; W344-T347 WeakPolarHBondContact CA-OG1 3.24Å; W344-T347 PolarHBondContact O-N 3.37Å; W344-L348 WeakPolarHBondContact O-CB 3.09Å; W344-L348 PolarHBondContact O-N 3.31Å; W344-C368 VanDerWaalsContact CE3-O 3.25Å; W344-C368 WeakPolarHBondContact CZ3-O 3.3Å; W344-I369 HydrophobicContact CH2-CB 4.14Å; W344-I369 HydrophobicContact CH2-CG1 3.73Å; W344-I369 HydrophobicContact CZ2-CG1 4.23Å; W344-D370 HydrophobicContact CZ2-CB 4.49Å
345	K	95.1	Very high	92.8	Very high	143 Å²	143	53.2 Å²	53.2	62%	0.622	28%	0.278	S	S	*	.	H	α-helix	trans	-57.6	-30.3	177.5	-69.1	-179.5	-179.4	175.4	0	113.1	N343 D370	N343-K345 PolarHBondContact O-N 3.32Å; N343-K345 VanDerWaalsContact O-N 3.12Å; K345-D370 VanDerWaalsContact CE-OD2 3.24Å; K345-D370 WeakPolarHBondContact CE-OD2 3.28Å; K345-D370 IonicContact NZ-OD2 3.66Å; K345-D370 PolarHBondContact NZ-OD2 3.48Å
346	E	94.1	Very high	93.3	Very high	148 Å²	148	51.4 Å²	51.4	69%	0.692	27%	0.269	S	S	*	.	H	α-helix	trans	-103.9	-25.9	179.4	-63.6	-179.6	-173.3	0	0	112.4	N343 W344	N343-E346 PolarHBondContact O-N 3.42Å; W344-E346 PolarHBondContact O-N 3.1Å
347	T	95.4	Very high	93.7	Very high	29 Å²	29	52.1 Å²	52.1	18%	0.178	28%	0.277	C	S	.	.	H	α-helix	trans	-103.2	-16.1	-169.7	61.2	0	0	0	0	114.4	P261 K340 N343 W344 V349	P261-T347 HydrophobicContact CG-CG2 4.21Å; K340-T347 HydrophobicContact CB-CG2 4.34Å; K340-T347 HydrophobicContact CG-CG2 4.14Å; K340-T347 PolarHBondContact O-OG1 2.98Å; N343-T347 HydrophobicContact CB-CG2 4.33Å; N343-T347 WeakPolarHBondContact O-CG2 3.35Å; N343-T347 PolarHBondContact O-N 3.02Å; N343-T347 PolarHBondContact O-OG1 3.2Å; W344-T347 WeakPolarHBondContact CA-OG1 3.24Å; W344-T347 PolarHBondContact O-N 3.37Å; T347-V349 PolarHBondContact O-N 3.31Å; T347-V349 VanDerWaalsContact O-N 3.07Å
348	L	97	Very high	94	Very high	18 Å²	18	58.5 Å²	58.5	9%	0.094	31%	0.306	C	S	.	.			trans	-76.4	92.6	169.9	-179.4	57.6	0	0	0	109.4	Y320 P328 F329 W344 L365 C368	Y320-L348 HydrophobicContact CD2-CD1 4.23Å; Y320-L348 HydrophobicContact CE2-CD1 4.26Å; P328-L348 HydrophobicContact CB-CD1 3.5Å; P328-L348 HydrophobicContact CG-CD1 4.02Å; F329-L348 HydrophobicContact CE1-CB 4.02Å; F329-L348 HydrophobicContact CZ-CB 4.26Å; F329-L348 HydrophobicContact CZ-CD1 4.29Å; W344-L348 WeakPolarHBondContact O-CB 3.09Å; W344-L348 PolarHBondContact O-N 3.31Å; L348-L365 HydrophobicContact CD2-CD2 3.8Å; L348-L365 HydrophobicContact CG-CD2 4.29Å; L348-C368 HydrophobicContact CD2-CB 3.57Å
349	V	95.4	Very high	94.5	Very high	89 Å²	89	62 Å²	62	54%	0.539	32%	0.322	S	S	.	.			trans	-125.9	140	-176.8	-174.7	0	0	0	0	110.2	Y320 T347	Y320-V349 PolarHBondContact OH-O 3.33Å; T347-V349 PolarHBondContact O-N 3.31Å; T347-V349 VanDerWaalsContact O-N 3.07Å
350	F	96.4	Very high	94.8	Very high	38 Å²	38	60 Å²	60	17%	0.167	31%	0.314	C	S	.	.			trans	-90.8	127.3	173.3	-61.3	-84.9	0	0	0	109.9	Y320 I356 K361 I364 L365	Y320-F350 HydrophobicContact CD2-CD1 4.15Å; Y320-F350 AromaticContact CD2-CE1 3.8Å; Y320-F350 HydrophobicContact CD2-CE1 3.8Å; Y320-F350 AromaticContact CE2-CD1 3.81Å; Y320-F350 HydrophobicContact CE2-CD1 3.81Å; Y320-F350 AromaticContact CE2-CE1 3.91Å; Y320-F350 HydrophobicContact CE2-CE1 3.91Å; F350-I356 HydrophobicContact CD1-CD1 4.13Å; F350-I356 HydrophobicContact CE1-CD1 4.06Å; F350-K361 HydrophobicContact CD1-CG 4.11Å; F350-K361 HydrophobicContact CD2-CD 4.47Å; F350-K361 HydrophobicContact CD2-CG 4.33Å; F350-K361 HydrophobicContact CE1-CB 4.41Å; F350-K361 HydrophobicContact CE1-CG 4.02Å; F350-K361 HydrophobicContact CE2-CB 4.24Å; F350-K361 HydrophobicContact CE2-CG 4.25Å; F350-K361 HydrophobicContact CG-CD 4.49Å; F350-K361 HydrophobicContact CG-CG 4.26Å; F350-K361 HydrophobicContact CZ-CB 4.06Å; F350-K361 HydrophobicContact CZ-CG 4.09Å; F350-I364 HydrophobicContact CE1-CB 4.42Å; F350-I364 HydrophobicContact CE1-CD1 3.94Å; F350-I364 HydrophobicContact CE1-CG2 4.22Å; F350-I364 HydrophobicContact CZ-CB 4.14Å; F350-I364 HydrophobicContact CZ-CG2 3.94Å; F350-L365 HydrophobicContact CE2-CD1 4.24Å; F350-L365 HydrophobicContact CE2-CD2 4.01Å; F350-L365 HydrophobicContact CE2-CG 4.01Å; F350-L365 HydrophobicContact CZ-CD2 4.46Å; F350-L365 HydrophobicContact CZ-CG 4.25Å
351	P	93.7	Very high	95.1	Very high	15 Å²	15	61.8 Å²	61.8	10%	0.097	32%	0.322	C	S	.	.			trans	-63.8	128	178.5	-19.8	32	0	0	0	110.7	I324 Y326 E353 V354	I324-P351 HydrophobicContact CG2-CG 3.96Å; Y326-P351 VanDerWaalsContact OH-CG 3.22Å; Y326-P351 WeakPolarHBondContact OH-CG 3.46Å; P351-E353 PolarHBondContact O-N 3.5Å; P351-E353 VanDerWaalsContact O-N 3.16Å; P351-V354 HydrophobicContact CB-CB 4.42Å; P351-V354 HydrophobicContact CB-CG2 3.93Å; P351-V354 HydrophobicContact CG-CG2 4.24Å; P351-V354 PolarHBondContact O-N 3.34Å; P351-V354 VanDerWaalsContact O-N 3.14Å
352	P	90.9	Very high	95.3	Very high	130 Å²	130	64.7 Å²	64.7	84%	0.844	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-22.8	-176	26.1	-35.3	0	0	0	113.2
353	E	90.2	Very high	95.6	Very high	104 Å²	104	62.9 Å²	62.9	49%	0.486	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-9.1	179.1	70.5	-89.5	-151.2	0	0	114.8	S271 P351	S271-E353 VanDerWaalsContact CB-OE1 3.23Å; S271-E353 WeakPolarHBondContact CB-OE1 3.39Å; S271-E353 PolarHBondContact N-OE1 3.12Å; P351-E353 PolarHBondContact O-N 3.5Å; P351-E353 VanDerWaalsContact O-N 3.16Å
354	V	91.8	Very high	95.9	Very high	28 Å²	28	61 Å²	61	17%	0.17	32%	0.319	C	S	.	.	S	Bend	trans	-100	124.7	-177.8	-179.7	0	0	0	0	110.1	S271 I324 P351 I356	S271-V354 WeakPolarHBondContact OG-CG2 3.32Å; I324-V354 HydrophobicContact CD1-CB 4.22Å; I324-V354 HydrophobicContact CD1-CG1 3.62Å; P351-V354 HydrophobicContact CB-CB 4.42Å; P351-V354 HydrophobicContact CB-CG2 3.93Å; P351-V354 HydrophobicContact CG-CG2 4.24Å; P351-V354 PolarHBondContact O-N 3.34Å; P351-V354 VanDerWaalsContact O-N 3.14Å; V354-I356 PolarHBondContact O-N 3.29Å
355	P	92.6	Very high	96	Very high	122 Å²	122	63.2 Å²	63.2	79%	0.792	33%	0.332	S	S	*	.			trans	-70.8	126.7	176.9	29.4	-33.5	0	0	0	110.7
356	I	96.6	Very high	96.2	Very high	22 Å²	22	61.8 Å²	61.8	11%	0.113	32%	0.323	C	S	.	.			trans	-154.1	134.7	175.7	-179.2	169.1	0	0	0	109.4	L323 I324 F350 V354 A360 K361 I364	L323-I356 HydrophobicContact CB-CD1 4.3Å; L323-I356 HydrophobicContact CD1-CD1 3.8Å; L323-I356 HydrophobicContact CD1-CG1 4.29Å; I324-I356 HydrophobicContact CD1-CD1 4.26Å; F350-I356 HydrophobicContact CD1-CD1 4.13Å; F350-I356 HydrophobicContact CE1-CD1 4.06Å; V354-I356 PolarHBondContact O-N 3.29Å; I356-A360 HydrophobicContact CD1-CB 4.04Å; I356-A360 HydrophobicContact CG1-CB 3.72Å; I356-K361 HydrophobicContact CD1-CG 4.08Å; I356-K361 HydrophobicContact CG1-CG 4.03Å; I356-K361 HydrophobicContact CG2-CD 4.21Å; I356-K361 HydrophobicContact CG2-CG 3.99Å; I356-K361 WeakPolarHBondContact O-CE 2.99Å; I356-I364 HydrophobicContact CD1-CD1 4.04Å
357	S	98.1	Very high	96.4	Very high	35 Å²	35	54.8 Å²	54.8	25%	0.245	29%	0.29	C	S	.	.			trans	-69.6	154.6	-178.9	75.5	0	0	0	0	112.3	E193 K359 A360 K361	E193-S357 VanDerWaalsContact CD-OG 3.25Å; E193-S357 WeakPolarHBondContact OE1-CB 3.28Å; E193-S357 PolarHBondContact OE1-N 3.28Å; E193-S357 PolarHBondContact OE1-OG 3.07Å; E193-S357 WeakPolarHBondContact OE2-CB 3.46Å; E193-S357 PolarHBondContact OE2-OG 3.13Å; S357-K359 PolarHBondContact O-N 2.86Å; S357-A360 PolarHBondContact O-N 2.79Å; S357-A360 WeakPolarHBondContact OG-CB 3.49Å; S357-A360 PolarHBondContact OG-N 2.91Å; S357-A360 VanDerWaalsContact OG-N 3.14Å; S357-K361 WeakPolarHBondContact O-CG 3.14Å; S357-K361 PolarHBondContact O-N 3.19Å
358	E	98.3	Very high	96.5	Very high	134 Å²	134	53.4 Å²	53.4	63%	0.626	28%	0.282	S	S	*	.	H	α-helix	trans	-62.8	-32.5	175.2	-64.6	-54.9	127.7	0	0	111.9	K361 D362	E358-K361 PolarHBondContact O-N 3.08Å; E358-K361 IonicContact OE1-NZ 3.51Å; E358-K361 PolarHBondContact OE1-NZ 3.21Å; E358-D362 WeakPolarHBondContact O-CB 3.21Å; E358-D362 PolarHBondContact O-N 3.16Å
359	K	98.6	Very high	96.5	Very high	85 Å²	85	54.8 Å²	54.8	37%	0.37	29%	0.289	S	S	.	.	H	α-helix	trans	-62.9	-43.7	174.3	-70.4	-179.7	168.4	-164.1	0	111.5	S357 L363 H386 P387 F388 E390	S357-K359 PolarHBondContact O-N 2.86Å; K359-L363 PolarHBondContact O-N 3.41Å; K359-L363 VanDerWaalsContact O-N 3.16Å; K359-H386 PolarHBondContact O-CE1 3.39Å; K359-P387 HydrophobicContact CD-CB 4.35Å; K359-P387 WeakPolarHBondContact CD-O 3.34Å; K359-P387 WeakPolarHBondContact CE-O 3.5Å; K359-P387 HydrophobicContact CG-CB 4.4Å; K359-P387 PolarHBondContact NZ-O 2.93Å; K359-F388 HydrophobicContact CB-CB 4.32Å; K359-F388 HydrophobicContact CB-CD2 4.33Å; K359-E390 IonicContact NZ-OE2 3.35Å; K359-E390 PolarHBondContact NZ-OE2 2.85Å
360	A	98.6	Very high	96.4	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-68	-43.1	178.4	0	0	0	0	0	111.9	M319 L323 I356 S357 L363 I364 F388	M319-A360 HydrophobicContact CE-CB 3.9Å; L323-A360 HydrophobicContact CD1-CB 3.82Å; I356-A360 HydrophobicContact CD1-CB 4.04Å; I356-A360 HydrophobicContact CG1-CB 3.72Å; S357-A360 PolarHBondContact O-N 2.79Å; S357-A360 WeakPolarHBondContact OG-CB 3.49Å; S357-A360 PolarHBondContact OG-N 2.91Å; S357-A360 VanDerWaalsContact OG-N 3.14Å; A360-L363 PolarHBondContact O-N 3.12Å; A360-I364 WeakPolarHBondContact O-CG1 3.22Å; A360-I364 PolarHBondContact O-N 2.86Å; A360-I364 VanDerWaalsContact O-N 3.07Å; A360-F388 HydrophobicContact CB-CD2 3.99Å; A360-F388 HydrophobicContact CB-CE2 3.81Å
361	K	98.6	Very high	96.3	Very high	50 Å²	50	52.5 Å²	52.5	22%	0.217	28%	0.277	C	S	.	.	H	α-helix	trans	-59.9	-47.9	175	-68	177.5	-164.5	162.4	0	112	F350 I356 S357 E358 L363 I364 L365	F350-K361 HydrophobicContact CD1-CG 4.11Å; F350-K361 HydrophobicContact CD2-CD 4.47Å; F350-K361 HydrophobicContact CD2-CG 4.33Å; F350-K361 HydrophobicContact CE1-CB 4.41Å; F350-K361 HydrophobicContact CE1-CG 4.02Å; F350-K361 HydrophobicContact CE2-CB 4.24Å; F350-K361 HydrophobicContact CE2-CG 4.25Å; F350-K361 HydrophobicContact CG-CD 4.49Å; F350-K361 HydrophobicContact CG-CG 4.26Å; F350-K361 HydrophobicContact CZ-CB 4.06Å; F350-K361 HydrophobicContact CZ-CG 4.09Å; I356-K361 HydrophobicContact CD1-CG 4.08Å; I356-K361 HydrophobicContact CG1-CG 4.03Å; I356-K361 HydrophobicContact CG2-CD 4.21Å; I356-K361 HydrophobicContact CG2-CG 3.99Å; I356-K361 WeakPolarHBondContact O-CE 2.99Å; S357-K361 WeakPolarHBondContact O-CG 3.14Å; S357-K361 PolarHBondContact O-N 3.19Å; E358-K361 PolarHBondContact O-N 3.08Å; E358-K361 IonicContact OE1-NZ 3.51Å; E358-K361 PolarHBondContact OE1-NZ 3.21Å; K361-L363 VanDerWaalsContact C-N 3.32Å; K361-L363 PolarHBondContact O-N 3.46Å; K361-I364 PolarHBondContact O-N 3.31Å; K361-L365 VanDerWaalsContact O-CG 3.31Å; K361-L365 WeakPolarHBondContact O-CG 3.31Å; K361-L365 PolarHBondContact O-N 3.02Å
362	D	98.7	Very high	96.2	Very high	62 Å²	62	59.4 Å²	59.4	33%	0.332	31%	0.308	S	S	.	.	H	α-helix	trans	-58.8	-45.3	179.7	-168.8	60.5	0	0	0	110.9	E358 I364 L365 R366 H386	E358-D362 WeakPolarHBondContact O-CB 3.21Å; E358-D362 PolarHBondContact O-N 3.16Å; D362-I364 PolarHBondContact O-N 3.3Å; D362-L365 PolarHBondContact O-N 3.09Å; D362-R366 WeakPolarHBondContact O-CB 3.03Å; D362-R366 WeakPolarHBondContact O-CG 3.24Å; D362-R366 PolarHBondContact O-N 3.2Å; D362-R366 IonicContact OD1-NE 2.7Å; D362-R366 IonicContact OD2-CZ 2.68Å; D362-R366 IonicContact OD2-NE 3.18Å; D362-R366 PolarHBondContact OD2-NE 3.04Å; D362-R366 IonicContact OD2-NH2 2.71Å; D362-R366 PolarHBondContact OD2-NH2 2.81Å; D362-H386 IonicContact OD2-CE1 2.71Å; D362-H386 IonicContact OD2-NE2 3Å; D362-H386 PolarHBondContact OD2-NE2 3.08Å; D362-H386 VanDerWaalsContact OD2-NE2 3.08Å
363	L	98.8	Very high	96.4	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-62.3	-46.4	178.9	-174.5	53.1	0	0	0	112.2	M319 K359 A360 K361 L365 R366 F367 I375 H386 F388 F389	M319-L363 HydrophobicContact CE-CB 4.14Å; M319-L363 HydrophobicContact CE-CD2 3.94Å; M319-L363 HydrophobicContact CE-CG 4.33Å; M319-L363 HydrophobicContact SD-CB 4.22Å; M319-L363 HydrophobicContact SD-CD2 3.67Å; M319-L363 HydrophobicContact SD-CG 3.88Å; K359-L363 PolarHBondContact O-N 3.41Å; K359-L363 VanDerWaalsContact O-N 3.16Å; A360-L363 PolarHBondContact O-N 3.12Å; K361-L363 VanDerWaalsContact C-N 3.32Å; K361-L363 PolarHBondContact O-N 3.46Å; L363-L365 VanDerWaalsContact C-N 3.31Å; L363-L365 PolarHBondContact O-N 2.53Å; L363-R366 PolarHBondContact O-N 2.95Å; L363-F367 HydrophobicContact CD1-CD2 3.9Å; L363-F367 HydrophobicContact CD1-CE2 3.5Å; L363-F367 VanDerWaalsContact CD1-CE2 3.5Å; L363-F367 HydrophobicContact CD1-CZ 3.92Å; L363-F367 HydrophobicContact CD2-CE2 3.9Å; L363-F367 HydrophobicContact CG-CD2 3.81Å; L363-F367 HydrophobicContact CG-CE2 3.49Å; L363-F367 VanDerWaalsContact CG-CE2 3.49Å; L363-F367 HydrophobicContact CG-CZ 4.35Å; L363-F367 WeakPolarHBondContact O-CD2 3.43Å; L363-F367 PolarHBondContact O-N 3.25Å; L363-I375 HydrophobicContact CD1-CD1 4.17Å; L363-H386 VanDerWaalsContact CB-CE1 3.5Å; L363-H386 WeakPolarHBondContact CB-CE1 3.31Å; L363-H386 HydrophobicContact CD1-CB 4.21Å; L363-F388 HydrophobicContact CB-CB 4.34Å; L363-F388 HydrophobicContact CD2-CB 3.82Å; L363-F388 HydrophobicContact CD2-CD1 3.41Å; L363-F388 VanDerWaalsContact CD2-CD1 3.41Å; L363-F388 HydrophobicContact CD2-CE1 4.23Å; L363-F388 HydrophobicContact CD2-CG 3.82Å; L363-F389 HydrophobicContact CD1-CE2 4.36Å; L363-F389 HydrophobicContact CD2-CD2 4.47Å; L363-F389 HydrophobicContact CD2-CE1 4.34Å; L363-F389 HydrophobicContact CD2-CE2 3.61Å; L363-F389 HydrophobicContact CD2-CZ 3.54Å
364	I	98.8	Very high	96.7	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-59	-44.9	177.4	-70.7	165.1	0	0	0	110.6	M319 Y320 L323 F350 I356 A360 K361 D362 R366 F367 C368	M319-I364 HydrophobicContact CB-CG1 4.16Å; M319-I364 HydrophobicContact CE-CD1 4.45Å; M319-I364 HydrophobicContact CE-CG1 4.16Å; M319-I364 HydrophobicContact CG-CD1 4.14Å; M319-I364 HydrophobicContact CG-CG1 3.83Å; M319-I364 HydrophobicContact SD-CG1 3.8Å; Y320-I364 HydrophobicContact CD2-CD1 4.44Å; Y320-I364 HydrophobicContact CD2-CG2 4.2Å; L323-I364 HydrophobicContact CD1-CD1 4.25Å; F350-I364 HydrophobicContact CE1-CB 4.42Å; F350-I364 HydrophobicContact CE1-CD1 3.94Å; F350-I364 HydrophobicContact CE1-CG2 4.22Å; F350-I364 HydrophobicContact CZ-CB 4.14Å; F350-I364 HydrophobicContact CZ-CG2 3.94Å; I356-I364 HydrophobicContact CD1-CD1 4.04Å; A360-I364 WeakPolarHBondContact O-CG1 3.22Å; A360-I364 PolarHBondContact O-N 2.86Å; A360-I364 VanDerWaalsContact O-N 3.07Å; K361-I364 PolarHBondContact O-N 3.31Å; D362-I364 PolarHBondContact O-N 3.3Å; I364-R366 VanDerWaalsContact C-N 3.32Å; I364-R366 PolarHBondContact O-N 3.5Å; I364-F367 PolarHBondContact O-N 3.42Å; I364-C368 WeakPolarHBondContact O-CB 3.25Å; I364-C368 PolarHBondContact O-N 3.07Å
365	L	98.6	Very high	97	Very high	75 Å²	75	52.4 Å²	52.4	39%	0.393	27%	0.266	S	S	.	.	H	α-helix	trans	-64.5	-36.3	178.7	-70.3	172.1	0	0	0	112.2	L348 F350 K361 D362 L363 C368	L348-L365 HydrophobicContact CD2-CD2 3.8Å; L348-L365 HydrophobicContact CG-CD2 4.29Å; F350-L365 HydrophobicContact CE2-CD1 4.24Å; F350-L365 HydrophobicContact CE2-CD2 4.01Å; F350-L365 HydrophobicContact CE2-CG 4.01Å; F350-L365 HydrophobicContact CZ-CD2 4.46Å; F350-L365 HydrophobicContact CZ-CG 4.25Å; K361-L365 VanDerWaalsContact O-CG 3.31Å; K361-L365 WeakPolarHBondContact O-CG 3.31Å; K361-L365 PolarHBondContact O-N 3.02Å; D362-L365 PolarHBondContact O-N 3.09Å; L363-L365 VanDerWaalsContact C-N 3.31Å; L363-L365 PolarHBondContact O-N 2.53Å; L365-C368 CarbonylContact O-C 3.1Å; L365-C368 PolarHBondContact O-N 3.23Å
366	R	98.3	Very high	97.1	Very high	114 Å²	114	46.7 Å²	46.7	43%	0.43	23%	0.229	S	C	.	.	H	α-helix	trans	-72.4	-27.8	175.9	-73.3	-174.7	-170.8	-125.7	1	113.8	D362 L363 I364 I369 I375	D362-R366 WeakPolarHBondContact O-CB 3.03Å; D362-R366 WeakPolarHBondContact O-CG 3.24Å; D362-R366 PolarHBondContact O-N 3.2Å; D362-R366 IonicContact OD1-NE 2.7Å; D362-R366 IonicContact OD2-CZ 2.68Å; D362-R366 IonicContact OD2-NE 3.18Å; D362-R366 PolarHBondContact OD2-NE 3.04Å; D362-R366 IonicContact OD2-NH2 2.71Å; D362-R366 PolarHBondContact OD2-NH2 2.81Å; L363-R366 PolarHBondContact O-N 2.95Å; I364-R366 VanDerWaalsContact C-N 3.32Å; I364-R366 PolarHBondContact O-N 3.5Å; R366-I369 WeakPolarHBondContact O-CG2 3.05Å; R366-I375 HydrophobicContact CB-CB 4.03Å; R366-I375 HydrophobicContact CB-CG2 3.95Å; R366-I375 WeakPolarHBondContact O-CG2 3.38Å; R366-I375 PolarHBondContact O-N 3.24Å; R366-I375 VanDerWaalsContact O-N 3.09Å
367	F	98.6	Very high	96.9	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-75.4	-44.9	169.2	-77.5	-50.9	0	0	0	111.7	W312 L315 M319 L363 I364 I369 R374 I375 I383	W312-F367 HydrophobicContact CB-CD1 4.01Å; W312-F367 HydrophobicContact CB-CE1 4.25Å; W312-F367 VanDerWaalsContact O-CD1 3.31Å; W312-F367 WeakPolarHBondContact O-CD1 3.33Å; L315-F367 HydrophobicContact CD2-CE1 4.41Å; L315-F367 HydrophobicContact CD2-CZ 4.01Å; L315-F367 HydrophobicContact CG-CZ 4.48Å; M319-F367 HydrophobicContact SD-CE2 4.49Å; L363-F367 HydrophobicContact CD1-CD2 3.9Å; L363-F367 HydrophobicContact CD1-CE2 3.5Å; L363-F367 VanDerWaalsContact CD1-CE2 3.5Å; L363-F367 HydrophobicContact CD1-CZ 3.92Å; L363-F367 HydrophobicContact CD2-CE2 3.9Å; L363-F367 HydrophobicContact CG-CD2 3.81Å; L363-F367 HydrophobicContact CG-CE2 3.49Å; L363-F367 VanDerWaalsContact CG-CE2 3.49Å; L363-F367 HydrophobicContact CG-CZ 4.35Å; L363-F367 WeakPolarHBondContact O-CD2 3.43Å; L363-F367 PolarHBondContact O-N 3.25Å; I364-F367 PolarHBondContact O-N 3.42Å; F367-I369 VanDerWaalsContact C-N 3.33Å; F367-I369 PolarHBondContact O-N 3.27Å; F367-R374 WeakPolarHBondContact O-CD 3.46Å; F367-R374 VanDerWaalsContact O-CG 3.31Å; F367-R374 WeakPolarHBondContact O-CG 3.5Å; F367-R374 PolarHBondContact O-NE 3.13Å; F367-R374 VanDerWaalsContact O-NE 3.11Å; F367-I375 HydrophobicContact CD1-CG2 3.43Å; F367-I375 VanDerWaalsContact CD1-CG2 3.43Å; F367-I375 HydrophobicContact CE1-CG2 3.64Å; F367-I375 HydrophobicContact CG-CG2 4.08Å; F367-I375 HydrophobicContact CZ-CG2 4.45Å; F367-I383 HydrophobicContact CE1-CD1 4.08Å; F367-I383 HydrophobicContact CE1-CG1 4.24Å; F367-I383 HydrophobicContact CE1-CG2 4.15Å; F367-I383 HydrophobicContact CZ-CG2 3.81Å
368	C	98.1	Very high	96.6	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.269	C	S	.	.	S	Bend	trans	-94.6	54.6	-174	-62.4	0	0	0	0	112.5	W313 W344 L348 I364 L365	W313-C368 VanDerWaalsContact CE3-CA 3.47Å; W313-C368 HydrophobicContact CE3-CB 4.21Å; W313-C368 HydrophobicContact CH2-CB 4.16Å; W313-C368 HydrophobicContact CZ2-CB 4.48Å; W313-C368 VanDerWaalsContact CZ3-CA 3.47Å; W313-C368 HydrophobicContact CZ3-CB 4.04Å; W344-C368 VanDerWaalsContact CE3-O 3.25Å; W344-C368 WeakPolarHBondContact CZ3-O 3.3Å; L348-C368 HydrophobicContact CD2-CB 3.57Å; I364-C368 WeakPolarHBondContact O-CB 3.25Å; I364-C368 PolarHBondContact O-N 3.07Å; L365-C368 CarbonylContact O-C 3.1Å; L365-C368 PolarHBondContact O-N 3.23Å
369	I	97.1	Very high	96.4	Very high	47 Å²	47	47.9 Å²	47.9	24%	0.241	25%	0.251	C	S	.	.	S	Bend	trans	-124.4	171	174.5	-170.6	158.2	0	0	0	111.1	W344 R366 F367 S371 N373 R374	W344-I369 HydrophobicContact CH2-CB 4.14Å; W344-I369 HydrophobicContact CH2-CG1 3.73Å; W344-I369 HydrophobicContact CZ2-CG1 4.23Å; R366-I369 WeakPolarHBondContact O-CG2 3.05Å; F367-I369 VanDerWaalsContact C-N 3.33Å; F367-I369 PolarHBondContact O-N 3.27Å; I369-S371 PolarHBondContact O-N 3.24Å; I369-N373 HydrophobicContact CD1-CB 4.13Å; I369-N373 HydrophobicContact CG1-CB 4.27Å; I369-N373 HydrophobicContact CG2-CB 4.47Å; I369-R374 VanDerWaalsContact CG2-CA 3.48Å; I369-R374 HydrophobicContact CG2-CB 4Å; I369-R374 HydrophobicContact CG2-CG 4.37Å; I369-R374 PolarHBondContact O-NE 3.03Å; I369-R374 PolarHBondContact O-NH2 2.98Å
370	D	94.1	Very high	96.3	Very high	58 Å²	58	44.5 Å²	44.5	31%	0.31	24%	0.238	S	C	.	.			trans	-47.1	135.5	170.4	-67.5	-48.2	0	0	0	110.8	W344 K345 E372 N373 R374	W344-D370 HydrophobicContact CZ2-CB 4.49Å; K345-D370 VanDerWaalsContact CE-OD2 3.24Å; K345-D370 WeakPolarHBondContact CE-OD2 3.28Å; K345-D370 IonicContact NZ-OD2 3.66Å; K345-D370 PolarHBondContact NZ-OD2 3.48Å; D370-E372 PolarHBondContact O-N 2.96Å; D370-N373 PolarHBondContact O-N 2.9Å; D370-R374 PolarHBondContact O-N 2.74Å
371	S	92.9	Very high	96.2	Very high	21 Å²	21	50.4 Å²	50.4	15%	0.147	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-30.7	-169.2	-178.4	0	0	0	0	114.8	L309 I369 N373	L309-S371 VanDerWaalsContact CD1-O 3.29Å; L309-S371 WeakPolarHBondContact CD1-O 3.23Å; I369-S371 PolarHBondContact O-N 3.24Å; S371-N373 VanDerWaalsContact C-N 3.34Å
372	E	91.7	Very high	96.2	Very high	161 Å²	161	51.7 Å²	51.7	75%	0.752	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-28.9	-178.6	-61.7	178	171.3	0	0	113	D370 N377	D370-E372 PolarHBondContact O-N 2.96Å; E372-N377 PolarHBondContact O-ND2 3.16Å
373	N	95.1	Very high	96.2	Very high	111 Å²	111	48.8 Å²	48.8	59%	0.594	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.2	2.9	-178.1	-60.7	-59.6	0	0	0	112.5	I369 D370 S371	I369-N373 HydrophobicContact CD1-CB 4.13Å; I369-N373 HydrophobicContact CG1-CB 4.27Å; I369-N373 HydrophobicContact CG2-CB 4.47Å; D370-N373 PolarHBondContact O-N 2.9Å; S371-N373 VanDerWaalsContact C-N 3.34Å
374	R	97.2	Very high	96.2	Very high	1 Å²	1	50.7 Å²	50.7	0%	0.004	27%	0.265	C	S	.	.	S	Bend	trans	-71	135.7	-176.2	-168.2	175.4	-59.2	139.2	4.6	110.9	E299 L309 F367 I369 D370 G376 N377	E299-R374 IonicContact OE1-CZ 3.05Å; E299-R374 IonicContact OE1-NH1 3.09Å; E299-R374 PolarHBondContact OE1-NH1 3.4Å; E299-R374 IonicContact OE1-NH2 3.97Å; E299-R374 PolarHBondContact OE1-NH2 3.26Å; E299-R374 VanDerWaalsContact OE1-NH2 3.13Å; E299-R374 IonicContact OE2-CZ 3.65Å; E299-R374 IonicContact OE2-NH1 2.64Å; E299-R374 IonicContact OE2-NH2 4Å; E299-R374 PolarHBondContact OE2-NH2 2.76Å; L309-R374 WeakPolarHBondContact O-CD 3.43Å; L309-R374 PolarHBondContact O-NH1 2.93Å; F367-R374 WeakPolarHBondContact O-CD 3.46Å; F367-R374 VanDerWaalsContact O-CG 3.31Å; F367-R374 WeakPolarHBondContact O-CG 3.5Å; F367-R374 PolarHBondContact O-NE 3.13Å; F367-R374 VanDerWaalsContact O-NE 3.11Å; I369-R374 VanDerWaalsContact CG2-CA 3.48Å; I369-R374 HydrophobicContact CG2-CB 4Å; I369-R374 HydrophobicContact CG2-CG 4.37Å; I369-R374 PolarHBondContact O-NE 3.03Å; I369-R374 PolarHBondContact O-NH2 2.98Å; D370-R374 PolarHBondContact O-N 2.74Å; R374-G376 PolarHBondContact O-N 3.29Å; R374-N377 WeakPolarHBondContact O-CB 3.31Å; R374-N377 PolarHBondContact O-N 3.07Å; R374-N377 VanDerWaalsContact O-N 3.09Å
375	I	97.3	Very high	96.1	Very high	3 Å²	3	53.7 Å²	53.7	2%	0.015	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	136.7	172.8	-163.3	174.5	0	0	0	110.2	L363 R366 F367 E382 I383 H386	L363-I375 HydrophobicContact CD1-CD1 4.17Å; R366-I375 HydrophobicContact CB-CB 4.03Å; R366-I375 HydrophobicContact CB-CG2 3.95Å; R366-I375 WeakPolarHBondContact O-CG2 3.38Å; R366-I375 PolarHBondContact O-N 3.24Å; R366-I375 VanDerWaalsContact O-N 3.09Å; F367-I375 HydrophobicContact CD1-CG2 3.43Å; F367-I375 VanDerWaalsContact CD1-CG2 3.43Å; F367-I375 HydrophobicContact CE1-CG2 3.64Å; F367-I375 HydrophobicContact CG-CG2 4.08Å; F367-I375 HydrophobicContact CZ-CG2 4.45Å; I375-E382 HydrophobicContact CG1-CB 4.24Å; I375-E382 HydrophobicContact CG1-CG 3.76Å; I375-I383 HydrophobicContact CD1-CG1 4.44Å; I375-I383 HydrophobicContact CG1-CG1 3.94Å; I375-I383 HydrophobicContact CG2-CG1 4.27Å; I375-H386 HydrophobicContact CD1-CB 4.26Å
376	G	94.5	Very high	96.1	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.01	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	95.2	-5.7	-172.1	0	0	0	0	0	113.8	L309 R374 S378 G379 E382	L309-G376 WeakPolarHBondContact CD2-O 3.49Å; R374-G376 PolarHBondContact O-N 3.29Å; G376-S378 VanDerWaalsContact C-N 3.3Å; G376-S378 PolarHBondContact O-N 2.85Å; G376-G379 WeakPolarHBondContact CA-O 3.18Å; G376-G379 PolarHBondContact O-N 3.42Å; G376-G379 VanDerWaalsContact O-N 3.15Å; G376-E382 PolarHBondContact N-OE2 3.25Å
377	N	92.9	Very high	96.1	Very high	80 Å²	80	48.6 Å²	48.6	43%	0.428	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-40.1	173.5	-175.9	33.7	0	0	0	111.4	L309 E372 R374 G379	L309-N377 HydrophobicContact CD1-CB 3.87Å; L309-N377 WeakPolarHBondContact CD1-OD1 3.41Å; E372-N377 PolarHBondContact O-ND2 3.16Å; R374-N377 WeakPolarHBondContact O-CB 3.31Å; R374-N377 PolarHBondContact O-N 3.07Å; R374-N377 VanDerWaalsContact O-N 3.09Å; N377-G379 VanDerWaalsContact C-N 3.28Å; N377-G379 PolarHBondContact O-N 3.43Å
378	S	92.1	Very high	96.1	Very high	111 Å²	111	49 Å²	49	78%	0.776	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	4.3	177.1	-63.4	0	0	0	0	113.6	G376	G376-S378 VanDerWaalsContact C-N 3.3Å; G376-S378 PolarHBondContact O-N 2.85Å
379	G	93.5	Very high	96.2	Very high	25 Å²	25	49.3 Å²	49.3	26%	0.258	28%	0.284	S	S	.	.			trans	117.3	164.6	-178.2	0	0	0	0	0	113.4	G376 N377 E381 E382	G376-G379 WeakPolarHBondContact CA-O 3.18Å; G376-G379 PolarHBondContact O-N 3.42Å; G376-G379 VanDerWaalsContact O-N 3.15Å; N377-G379 VanDerWaalsContact C-N 3.28Å; N377-G379 PolarHBondContact O-N 3.43Å; G379-E381 PolarHBondContact O-N 3.49Å; G379-E382 WeakPolarHBondContact O-CB 3.31Å; G379-E382 PolarHBondContact O-N 3.27Å
380	V	96.8	Very high	96.2	Very high	15 Å²	15	53.7 Å²	53.7	9%	0.091	30%	0.304	C	S	.	.	H	α-helix	trans	-62	-26.8	-174.1	71.2	0	0	0	0	113.4	V204 D208 E382 I383 K384	V204-V380 HydrophobicContact CG1-CG2 3.56Å; D208-V380 HydrophobicContact CB-CB 4.24Å; D208-V380 HydrophobicContact CB-CG2 3.86Å; V380-E382 PolarHBondContact O-N 3.45Å; V380-I383 WeakPolarHBondContact O-CA 3.49Å; V380-I383 WeakPolarHBondContact O-CB 3.44Å; V380-I383 PolarHBondContact O-N 3.11Å; V380-K384 HydrophobicContact CG2-CG 4.41Å; V380-K384 PolarHBondContact O-N 2.8Å
381	E	97.6	Very high	96.3	Very high	123 Å²	123	54.5 Å²	54.5	58%	0.575	33%	0.326	S	S	*	.	H	α-helix	trans	-62.5	-28.2	179.9	-61	-52.2	129.5	0	0	112.6	G379 I383 K384 G385	G379-E381 PolarHBondContact O-N 3.49Å; E381-I383 VanDerWaalsContact C-N 3.3Å; E381-I383 PolarHBondContact O-N 3.22Å; E381-K384 PolarHBondContact O-N 2.68Å; E381-K384 IonicContact OE1-NZ 3.35Å; E381-K384 PolarHBondContact OE1-NZ 3.35Å; E381-G385 PolarHBondContact O-N 3.27Å
382	E	97.5	Very high	96.5	Very high	78 Å²	78	54.7 Å²	54.7	36%	0.364	33%	0.326	S	S	.	.	H	α-helix	trans	-61.8	-40.4	172.1	-164.2	-168.6	-179.6	0	0	111.4	I375 G376 G379 V380	I375-E382 HydrophobicContact CG1-CB 4.24Å; I375-E382 HydrophobicContact CG1-CG 3.76Å; G376-E382 PolarHBondContact N-OE2 3.25Å; G379-E382 WeakPolarHBondContact O-CB 3.31Å; G379-E382 PolarHBondContact O-N 3.27Å; V380-E382 PolarHBondContact O-N 3.45Å
383	I	98.4	Very high	96.7	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-68.5	-50.3	176.4	-57.7	169.6	0	0	0	109.4	V204 W312 F367 I375 V380 E381 G385 H386 F389	V204-I383 HydrophobicContact CG1-CG2 4.13Å; V204-I383 HydrophobicContact CG2-CG2 3.76Å; W312-I383 HydrophobicContact CD2-CD1 3.64Å; W312-I383 HydrophobicContact CE3-CD1 3.89Å; W312-I383 HydrophobicContact CG-CD1 4.11Å; W312-I383 HydrophobicContact CH2-CD1 4.17Å; W312-I383 HydrophobicContact CZ2-CD1 3.93Å; W312-I383 HydrophobicContact CZ3-CD1 4.15Å; F367-I383 HydrophobicContact CE1-CD1 4.08Å; F367-I383 HydrophobicContact CE1-CG1 4.24Å; F367-I383 HydrophobicContact CE1-CG2 4.15Å; F367-I383 HydrophobicContact CZ-CG2 3.81Å; I375-I383 HydrophobicContact CD1-CG1 4.44Å; I375-I383 HydrophobicContact CG1-CG1 3.94Å; I375-I383 HydrophobicContact CG2-CG1 4.27Å; V380-I383 WeakPolarHBondContact O-CA 3.49Å; V380-I383 WeakPolarHBondContact O-CB 3.44Å; V380-I383 PolarHBondContact O-N 3.11Å; E381-I383 VanDerWaalsContact C-N 3.3Å; E381-I383 PolarHBondContact O-N 3.22Å; I383-G385 PolarHBondContact O-N 3.4Å; I383-H386 VanDerWaalsContact O-CB 3.26Å; I383-H386 WeakPolarHBondContact O-CB 3.48Å; I383-H386 PolarHBondContact O-N 3.33Å; I383-F389 HydrophobicContact CG2-CE2 3.76Å; I383-F389 HydrophobicContact CG2-CZ 4.28Å; I383-F389 WeakPolarHBondContact O-CD2 3.42Å; I383-F389 VanDerWaalsContact O-CE2 3.27Å; I383-F389 WeakPolarHBondContact O-CE2 3.29Å
384	K	98.3	Very high	96.8	Very high	40 Å²	40	46 Å²	46	17%	0.174	28%	0.282	C	S	.	.	H	α-helix	trans	-60.6	-31.7	-177.6	-64.1	-176.7	-171.5	162.2	0	113.2	V380 E381 H386 W394	V380-K384 HydrophobicContact CG2-CG 4.41Å; V380-K384 PolarHBondContact O-N 2.8Å; E381-K384 PolarHBondContact O-N 2.68Å; E381-K384 IonicContact OE1-NZ 3.35Å; E381-K384 PolarHBondContact OE1-NZ 3.35Å; K384-H386 VanDerWaalsContact C-N 3.28Å; K384-H386 PolarHBondContact O-N 3.21Å; K384-W394 HydrophobicContact CB-CD2 4.23Å; K384-W394 HydrophobicContact CB-CZ2 3.87Å; K384-W394 HydrophobicContact CD-CD2 3.87Å; K384-W394 HydrophobicContact CD-CE3 4.15Å; K384-W394 HydrophobicContact CD-CG 4.03Å; K384-W394 HydrophobicContact CG-CD2 3.76Å; K384-W394 HydrophobicContact CG-CE3 3.99Å; K384-W394 HydrophobicContact CG-CG 4.35Å; K384-W394 HydrophobicContact CG-CH2 3.98Å; K384-W394 HydrophobicContact CG-CZ2 3.78Å; K384-W394 HydrophobicContact CG-CZ3 4.07Å
385	G	97.8	Very high	96.7	Very high	64 Å²	64	53.6 Å²	53.6	66%	0.66	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-2.1	177.6	0	0	0	0	0	115.3	E381 I383	E381-G385 PolarHBondContact O-N 3.27Å; I383-G385 PolarHBondContact O-N 3.4Å
386	H	98.7	Very high	96.6	Very high	9 Å²	9	57 Å²	57	4%	0.042	33%	0.333	C	S	.	.	S	Bend	trans	-68.7	137.9	-178.7	-170.8	-90.2	0	0	0	111.9	K359 D362 L363 I375 I383 K384 F388 F389	K359-H386 PolarHBondContact O-CE1 3.39Å; D362-H386 IonicContact OD2-CE1 2.71Å; D362-H386 IonicContact OD2-NE2 3Å; D362-H386 PolarHBondContact OD2-NE2 3.08Å; D362-H386 VanDerWaalsContact OD2-NE2 3.08Å; L363-H386 VanDerWaalsContact CB-CE1 3.5Å; L363-H386 WeakPolarHBondContact CB-CE1 3.31Å; L363-H386 HydrophobicContact CD1-CB 4.21Å; I375-H386 HydrophobicContact CD1-CB 4.26Å; I383-H386 VanDerWaalsContact O-CB 3.26Å; I383-H386 WeakPolarHBondContact O-CB 3.48Å; I383-H386 PolarHBondContact O-N 3.33Å; K384-H386 VanDerWaalsContact C-N 3.28Å; K384-H386 PolarHBondContact O-N 3.21Å; H386-F388 VanDerWaalsContact ND1-CB 3.28Å; H386-F388 WeakPolarHBondContact ND1-CB 3.48Å; H386-F388 PolarHBondContact ND1-N 2.92Å; H386-F388 VanDerWaalsContact ND1-N 3.15Å; H386-F388 PolarHBondContact O-N 3.21Å; H386-F389 HydrophobicContact CB-CD2 3.95Å; H386-F389 HydrophobicContact CB-CE2 4.25Å; H386-F389 PolarHBondContact O-N 3.35Å
387	P	98.5	Very high	96.6	Very high	72 Å²	72	57.5 Å²	57.5	47%	0.468	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-59.3	-17.9	-176.9	-27.5	35.4	0	0	0	116.4	K359 F389 E390	K359-P387 HydrophobicContact CD-CB 4.35Å; K359-P387 WeakPolarHBondContact CD-O 3.34Å; K359-P387 WeakPolarHBondContact CE-O 3.5Å; K359-P387 HydrophobicContact CG-CB 4.4Å; K359-P387 PolarHBondContact NZ-O 2.93Å; P387-F389 PolarHBondContact O-N 2.96Å; P387-E390 WeakPolarHBondContact O-CB 3.44Å; P387-E390 PolarHBondContact O-N 3.09Å
388	F	98.8	Very high	96.6	Very high	9 Å²	9	55.7 Å²	55.7	4%	0.039	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-64.5	-28.1	171.9	-179.3	-102.4	0	0	0	112.2	T196 Q197 M319 K359 A360 L363 H386 E390	T196-F388 HydrophobicContact CG2-CZ 4.32Å; Q197-F388 HydrophobicContact CB-CE1 3.95Å; Q197-F388 HydrophobicContact CB-CZ 4.02Å; Q197-F388 HydrophobicContact CG-CE1 4.17Å; Q197-F388 PolarHBondContact NE2-O 2.89Å; M319-F388 HydrophobicContact CE-CD1 3.9Å; M319-F388 HydrophobicContact CE-CD2 4Å; M319-F388 HydrophobicContact CE-CE1 3.57Å; M319-F388 HydrophobicContact CE-CE2 3.71Å; M319-F388 HydrophobicContact CE-CG 4.1Å; M319-F388 HydrophobicContact CE-CZ 3.49Å; M319-F388 VanDerWaalsContact CE-CZ 3.49Å; M319-F388 HydrophobicContact SD-CE1 4.41Å; K359-F388 HydrophobicContact CB-CB 4.32Å; K359-F388 HydrophobicContact CB-CD2 4.33Å; A360-F388 HydrophobicContact CB-CD2 3.99Å; A360-F388 HydrophobicContact CB-CE2 3.81Å; L363-F388 HydrophobicContact CB-CB 4.34Å; L363-F388 HydrophobicContact CD2-CB 3.82Å; L363-F388 HydrophobicContact CD2-CD1 3.41Å; L363-F388 VanDerWaalsContact CD2-CD1 3.41Å; L363-F388 HydrophobicContact CD2-CE1 4.23Å; L363-F388 HydrophobicContact CD2-CG 3.82Å; H386-F388 VanDerWaalsContact ND1-CB 3.28Å; H386-F388 WeakPolarHBondContact ND1-CB 3.48Å; H386-F388 PolarHBondContact ND1-N 2.92Å; H386-F388 VanDerWaalsContact ND1-N 3.15Å; H386-F388 PolarHBondContact O-N 3.21Å; F388-E390 VanDerWaalsContact C-N 3.33Å
389	F	98.6	Very high	96.6	Very high	6 Å²	6	57.8 Å²	57.8	3%	0.026	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-94.7	18	179.1	-57.3	-65.1	0	0	0	113.4	Q197 I200 S201 V204 L363 I383 H386 P387 G391 V392 W394	Q197-F389 HydrophobicContact CG-CD1 4.16Å; I200-F389 HydrophobicContact CB-CE1 4.38Å; I200-F389 HydrophobicContact CG2-CE1 3.84Å; I200-F389 HydrophobicContact CG2-CZ 3.75Å; S201-F389 WeakPolarHBondContact OG-CD1 3.3Å; S201-F389 WeakPolarHBondContact OG-CE1 3.2Å; V204-F389 HydrophobicContact CG2-CZ 4.47Å; L363-F389 HydrophobicContact CD1-CE2 4.36Å; L363-F389 HydrophobicContact CD2-CD2 4.47Å; L363-F389 HydrophobicContact CD2-CE1 4.34Å; L363-F389 HydrophobicContact CD2-CE2 3.61Å; L363-F389 HydrophobicContact CD2-CZ 3.54Å; I383-F389 HydrophobicContact CG2-CE2 3.76Å; I383-F389 HydrophobicContact CG2-CZ 4.28Å; I383-F389 WeakPolarHBondContact O-CD2 3.42Å; I383-F389 VanDerWaalsContact O-CE2 3.27Å; I383-F389 WeakPolarHBondContact O-CE2 3.29Å; H386-F389 HydrophobicContact CB-CD2 3.95Å; H386-F389 HydrophobicContact CB-CE2 4.25Å; H386-F389 PolarHBondContact O-N 3.35Å; P387-F389 PolarHBondContact O-N 2.96Å; F389-G391 PolarHBondContact O-N 2.83Å; F389-V392 HydrophobicContact CB-CB 4.32Å; F389-V392 HydrophobicContact CB-CG2 3.99Å; F389-V392 HydrophobicContact CD1-CG2 4.3Å; F389-V392 WeakPolarHBondContact O-CB 3.36Å; F389-V392 WeakPolarHBondContact O-CG2 3.13Å; F389-V392 PolarHBondContact O-N 3.09Å; F389-V392 VanDerWaalsContact O-N 3.07Å; F389-W394 HydrophobicContact CB-CZ2 3.78Å; F389-W394 HydrophobicContact CD1-CH2 4.11Å; F389-W394 AromaticContact CD1-CZ2 3.93Å; F389-W394 HydrophobicContact CD1-CZ2 3.93Å; F389-W394 HydrophobicContact CD2-CH2 4.38Å; F389-W394 AromaticContact CD2-CZ2 3.94Å; F389-W394 HydrophobicContact CD2-CZ2 3.94Å; F389-W394 HydrophobicContact CE1-CH2 4.23Å; F389-W394 HydrophobicContact CE1-CZ2 4.47Å; F389-W394 HydrophobicContact CE2-CZ2 4.49Å; F389-W394 HydrophobicContact CG-CH2 4.18Å; F389-W394 AromaticContact CG-CZ2 3.63Å; F389-W394 HydrophobicContact CG-CZ2 3.63Å; F389-W394 HydrophobicContact CZ-CH2 4.42Å
390	E	97.4	Very high	96.5	Very high	139 Å²	139	62.5 Å²	62.5	65%	0.65	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	127	173.2	-173.3	175	-173.8	0	0	110.2	Q197 K359 P387 F388	Q197-E390 PolarHBondContact NE2-O 2.9Å; Q197-E390 VanDerWaalsContact NE2-O 3.15Å; K359-E390 IonicContact NZ-OE2 3.35Å; K359-E390 PolarHBondContact NZ-OE2 2.85Å; P387-E390 WeakPolarHBondContact O-CB 3.44Å; P387-E390 PolarHBondContact O-N 3.09Å; F388-E390 VanDerWaalsContact C-N 3.33Å
391	G	95.8	Very high	96.4	Very high	75 Å²	75	67.5 Å²	67.5	77%	0.773	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.3	-6.6	-177.4	0	0	0	0	0	115.5	F389 D393	F389-G391 PolarHBondContact O-N 2.83Å; G391-D393 PolarHBondContact O-N 3.44Å
392	V	97.6	Very high	96.2	Very high	26 Å²	26	62.3 Å²	62.3	16%	0.158	34%	0.34	C	S	.	.			trans	-74.5	127	177.3	177.8	0	0	0	0	110.8	Q197 F389 W394 I397	Q197-V392 HydrophobicContact CG-CG2 3.71Å; F389-V392 HydrophobicContact CB-CB 4.32Å; F389-V392 HydrophobicContact CB-CG2 3.99Å; F389-V392 HydrophobicContact CD1-CG2 4.3Å; F389-V392 WeakPolarHBondContact O-CB 3.36Å; F389-V392 WeakPolarHBondContact O-CG2 3.13Å; F389-V392 PolarHBondContact O-N 3.09Å; F389-V392 VanDerWaalsContact O-N 3.07Å; V392-W394 HydrophobicContact CG1-CD2 3.89Å; V392-W394 HydrophobicContact CG1-CE3 4.38Å; V392-W394 HydrophobicContact CG1-CG 4.19Å; V392-W394 HydrophobicContact CG1-CZ2 4.15Å; V392-I397 HydrophobicContact CG1-CD1 4.23Å
393	D	96.7	Very high	96.2	Very high	43 Å²	43	60.5 Å²	60.5	23%	0.23	34%	0.339	C	S	.	.			trans	-93.8	96	169.9	-174	-28.6	0	0	0	109.8	G391 E395 H396 I397 R400	G391-D393 PolarHBondContact O-N 3.44Å; D393-E395 PolarHBondContact O-N 3.47Å; D393-E395 PolarHBondContact OD1-N 3.31Å; D393-E395 VanDerWaalsContact OD1-N 3.12Å; D393-H396 PolarHBondContact O-N 3.47Å; D393-H396 IonicContact OD1-CG 3.1Å; D393-H396 PolarHBondContact OD1-N 3.4Å; D393-H396 IonicContact OD1-ND1 2.71Å; D393-H396 PolarHBondContact OD1-ND1 3Å; D393-H396 IonicContact OD2-CG 3.74Å; D393-H396 IonicContact OD2-ND1 2.79Å; D393-H396 PolarHBondContact OD2-ND1 3.17Å; D393-H396 VanDerWaalsContact OD2-ND1 3.09Å; D393-I397 WeakPolarHBondContact O-CA 3.14Å; D393-I397 VanDerWaalsContact O-CB 3.26Å; D393-I397 WeakPolarHBondContact O-CB 3.19Å; D393-I397 PolarHBondContact O-N 3.15Å; D393-R400 VanDerWaalsContact CB-NH1 3.31Å; D393-R400 IonicContact OD2-CZ 3.46Å; D393-R400 IonicContact OD2-NH1 3.45Å; D393-R400 IonicContact OD2-NH2 3.94Å; D393-R400 PolarHBondContact OD2-NH2 3.14Å
394	W	96.9	Very high	96	Very high	46 Å²	46	61.5 Å²	61.5	17%	0.174	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-18.8	-175.5	-66.1	98.2	0	0	0	114.5	S201 V204 L205 K384 F389 V392	S201-W394 VanDerWaalsContact O-CZ3 3.29Å; S201-W394 WeakPolarHBondContact O-CZ3 3.36Å; V204-W394 HydrophobicContact CB-CH2 4.15Å; V204-W394 HydrophobicContact CB-CZ3 3.94Å; V204-W394 HydrophobicContact CG1-CH2 4.11Å; V204-W394 HydrophobicContact CG1-CZ3 3.9Å; V204-W394 HydrophobicContact CG2-CH2 4.48Å; L205-W394 HydrophobicContact CD1-CE3 4.09Å; L205-W394 HydrophobicContact CD2-CE3 3.78Å; L205-W394 HydrophobicContact CD2-CZ3 4.33Å; L205-W394 HydrophobicContact CG-CE3 3.79Å; L205-W394 HydrophobicContact CG-CZ3 4.08Å; K384-W394 HydrophobicContact CB-CD2 4.23Å; K384-W394 HydrophobicContact CB-CZ2 3.87Å; K384-W394 HydrophobicContact CD-CD2 3.87Å; K384-W394 HydrophobicContact CD-CE3 4.15Å; K384-W394 HydrophobicContact CD-CG 4.03Å; K384-W394 HydrophobicContact CG-CD2 3.76Å; K384-W394 HydrophobicContact CG-CE3 3.99Å; K384-W394 HydrophobicContact CG-CG 4.35Å; K384-W394 HydrophobicContact CG-CH2 3.98Å; K384-W394 HydrophobicContact CG-CZ2 3.78Å; K384-W394 HydrophobicContact CG-CZ3 4.07Å; F389-W394 HydrophobicContact CB-CZ2 3.78Å; F389-W394 HydrophobicContact CD1-CH2 4.11Å; F389-W394 AromaticContact CD1-CZ2 3.93Å; F389-W394 HydrophobicContact CD1-CZ2 3.93Å; F389-W394 HydrophobicContact CD2-CH2 4.38Å; F389-W394 AromaticContact CD2-CZ2 3.94Å; F389-W394 HydrophobicContact CD2-CZ2 3.94Å; F389-W394 HydrophobicContact CE1-CH2 4.23Å; F389-W394 HydrophobicContact CE1-CZ2 4.47Å; F389-W394 HydrophobicContact CE2-CZ2 4.49Å; F389-W394 HydrophobicContact CG-CH2 4.18Å; F389-W394 AromaticContact CG-CZ2 3.63Å; F389-W394 HydrophobicContact CG-CZ2 3.63Å; F389-W394 HydrophobicContact CZ-CH2 4.42Å; V392-W394 HydrophobicContact CG1-CD2 3.89Å; V392-W394 HydrophobicContact CG1-CE3 4.38Å; V392-W394 HydrophobicContact CG1-CG 4.19Å; V392-W394 HydrophobicContact CG1-CZ2 4.15Å
395	E	94.4	Very high	95.7	Very high	161 Å²	161	64.3 Å²	64.3	75%	0.752	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-41.2	179.9	-66.9	-178.9	172.6	0	0	110.9	D393	D393-E395 PolarHBondContact O-N 3.47Å; D393-E395 PolarHBondContact OD1-N 3.31Å; D393-E395 VanDerWaalsContact OD1-N 3.12Å
396	H	94.9	Very high	95.5	Very high	73 Å²	73	62.6 Å²	62.6	34%	0.338	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.4	5.2	-171	-48.9	91	0	0	0	114.1	D393 R398 E399 R400	D393-H396 PolarHBondContact O-N 3.47Å; D393-H396 IonicContact OD1-CG 3.1Å; D393-H396 PolarHBondContact OD1-N 3.4Å; D393-H396 IonicContact OD1-ND1 2.71Å; D393-H396 PolarHBondContact OD1-ND1 3Å; D393-H396 IonicContact OD2-CG 3.74Å; D393-H396 IonicContact OD2-ND1 2.79Å; D393-H396 PolarHBondContact OD2-ND1 3.17Å; D393-H396 VanDerWaalsContact OD2-ND1 3.09Å; H396-R398 PolarHBondContact O-N 2.73Å; H396-R398 VanDerWaalsContact O-N 3.1Å; H396-E399 IonicContact CD2-OE2 3.65Å; H396-E399 PolarHBondContact CD2-OE2 2.81Å; H396-E399 PolarHBondContact O-N 2.85Å; H396-R400 PolarHBondContact O-N 2.93Å
397	I	95.6	Very high	95.1	Very high	12 Å²	12	70.2 Å²	70.2	6%	0.062	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-51.6	-38.3	-177.3	-171.8	167.4	0	0	0	112.7	W155 F198 E202 L205 V392 D393 E399	W155-I397 HydrophobicContact CH2-CG2 4.28Å; F198-I397 HydrophobicContact CD2-CD1 4.09Å; F198-I397 HydrophobicContact CD2-CG1 4.03Å; F198-I397 HydrophobicContact CE2-CD1 4.24Å; F198-I397 HydrophobicContact CE2-CG1 3.75Å; E202-I397 HydrophobicContact CG-CD1 3.79Å; E202-I397 HydrophobicContact CG-CG1 4.08Å; E202-I397 HydrophobicContact CG-CG2 4.49Å; L205-I397 HydrophobicContact CD1-CG2 3.64Å; V392-I397 HydrophobicContact CG1-CD1 4.23Å; D393-I397 WeakPolarHBondContact O-CA 3.14Å; D393-I397 VanDerWaalsContact O-CB 3.26Å; D393-I397 WeakPolarHBondContact O-CB 3.19Å; D393-I397 PolarHBondContact O-N 3.15Å; I397-E399 VanDerWaalsContact C-N 3.33Å; I397-E399 PolarHBondContact O-N 3Å
398	R	93.8	Very high	94.7	Very high	43 Å²	43	69.2 Å²	69.2	16%	0.162	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-80.3	-13.9	-177.7	-152	-177.9	-178	85.1	13.6	114.2	A154 W155 D228 H232 V233 H396	A154-R398 PolarHBondContact O-NE 2.63Å; A154-R398 PolarHBondContact O-NH1 3.18Å; A154-R398 VanDerWaalsContact O-NH1 3.17Å; A154-R398 PolarHBondContact O-NH2 3.42Å; W155-R398 HydrophobicContact CH2-CB 4.2Å; W155-R398 HydrophobicContact CH2-CG 4.36Å; D228-R398 IonicContact OD2-NH2 2.81Å; D228-R398 PolarHBondContact OD2-NH2 3.11Å; H232-R398 HydrophobicContact CB-CG 4.27Å; H232-R398 PolarHBondContact CE1-O 3.06Å; H232-R398 PolarHBondContact NE2-O 3.48Å; V233-R398 PolarHBondContact O-NH1 3.32Å; V233-R398 PolarHBondContact O-NH2 3.17Å; H396-R398 PolarHBondContact O-N 2.73Å; H396-R398 VanDerWaalsContact O-N 3.1Å
399	E	92.2	Very high	94.4	Very high	154 Å²	154	78.5 Å²	78.5	72%	0.72	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-91.3	-15.7	178.7	-59.6	179.7	172.5	0	0	111.8	H396 I397	H396-E399 IonicContact CD2-OE2 3.65Å; H396-E399 PolarHBondContact CD2-OE2 2.81Å; H396-E399 PolarHBondContact O-N 2.85Å; I397-E399 VanDerWaalsContact C-N 3.33Å; I397-E399 PolarHBondContact O-N 3Å
400	R	90.3	Very high	94	Very high	125 Å²	125	80.7 Å²	80.7	47%	0.472	42%	0.424	S	S	.	.	S	Bend	trans	-88.9	160.7	177.7	-67.1	179	-178.6	174.5	6	111.1	H232 D393 H396 A402	H232-R400 PolarHBondContact CE1-O 3.35Å; H232-R400 PolarHBondContact NE2-O 2.95Å; H232-R400 VanDerWaalsContact NE2-O 3.14Å; D393-R400 VanDerWaalsContact CB-NH1 3.31Å; D393-R400 IonicContact OD2-CZ 3.46Å; D393-R400 IonicContact OD2-NH1 3.45Å; D393-R400 IonicContact OD2-NH2 3.94Å; D393-R400 PolarHBondContact OD2-NH2 3.14Å; H396-R400 PolarHBondContact O-N 2.93Å; R400-A402 PolarHBondContact O-N 3.38Å
401	P	94.1	Very high	93.5	Very high	120 Å²	120	77.3 Å²	77.3	78%	0.779	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-56.3	137.8	171.8	-23.3	34.3	0	0	0	111.5
402	A	95	Very high	93.2	Very high	13 Å²	13	77.2 Å²	77.2	11%	0.107	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-67	156.1	174.2	0	0	0	0	0	111.8	F198 K230 G231 R400 I404	F198-A402 HydrophobicContact CE1-CB 3.79Å; F198-A402 VanDerWaalsContact CZ-CA 3.44Å; F198-A402 HydrophobicContact CZ-CB 3.68Å; K230-A402 VanDerWaalsContact O-CB 3.27Å; K230-A402 WeakPolarHBondContact O-CB 3.39Å; G231-A402 WeakPolarHBondContact O-CB 3.38Å; R400-A402 PolarHBondContact O-N 3.38Å; A402-I404 VanDerWaalsContact C-N 3.25Å; A402-I404 PolarHBondContact O-N 3.26Å
403	A	95.9	Very high	92.9	Very high	40 Å²	40	76.8 Å²	76.8	33%	0.331	39%	0.388	S	S	.	.	S	Bend	trans	-58.9	-36.3	179.8	0	0	0	0	0	113.1	E195 F198	E195-A403 HydrophobicContact CB-CB 4.43Å; E195-A403 HydrophobicContact CG-CB 4.25Å; F198-A403 HydrophobicContact CB-CB 3.69Å; F198-A403 HydrophobicContact CD1-CB 3.72Å; F198-A403 HydrophobicContact CD2-CB 4.44Å; F198-A403 HydrophobicContact CG-CB 3.68Å
404	I	95.3	Very high	92.7	Very high	22 Å²	22	75.8 Å²	75.8	11%	0.113	38%	0.384	C	S	.	.	S	Bend	trans	-122.1	115.3	174.5	-50.9	177.7	0	0	0	108.6	L184 K188 L191 E195 Y199 A402	L184-I404 HydrophobicContact CD1-CD1 4.2Å; L184-I404 HydrophobicContact CD2-CD1 4.1Å; K188-I404 HydrophobicContact CD-CD1 3.67Å; L191-I404 HydrophobicContact CD2-CD1 4Å; E195-I404 HydrophobicContact CG-CD1 4.25Å; E195-I404 HydrophobicContact CG-CG1 4.07Å; E195-I404 WeakPolarHBondContact OE1-CG1 3.45Å; Y199-I404 HydrophobicContact CE2-CD1 3.95Å; Y199-I404 HydrophobicContact CE2-CG1 4.17Å; Y199-I404 VanDerWaalsContact OH-CB 3.3Å; Y199-I404 WeakPolarHBondContact OH-CB 2.98Å; A402-I404 VanDerWaalsContact C-N 3.25Å; A402-I404 PolarHBondContact O-N 3.26Å
405	P	91.3	Very high	92.5	Very high	99 Å²	99	76.8 Å²	76.8	64%	0.643	40%	0.398	S	S	*	.			trans	-69.4	143.5	175.3	29	-33.6	0	0	0	110.6
406	I	93.1	Very high	92.3	Very high	27 Å²	27	70.3 Å²	70.3	14%	0.138	37%	0.368	C	S	.	.			trans	-90.7	119.6	177.5	-62.1	-58.8	0	0	0	109.6	L227 G231 I408	L227-I406 HydrophobicContact CB-CD1 4.36Å; L227-I406 HydrophobicContact CD1-CD1 4.12Å; G231-I406 VanDerWaalsContact CA-CG1 3.46Å; I406-I408 HydrophobicContact CG2-CG2 3.67Å; I406-I408 PolarHBondContact O-N 3.31Å
407	E	90.8	Very high	92	Very high	170 Å²	170	68.3 Å²	68.3	79%	0.794	36%	0.359	S	S	*	.			trans	-85.8	107.9	173.8	-65.1	-175.9	-171.2	0	0	109.8
408	I	91.3	Very high	91.5	Very high	51 Å²	51	68.7 Å²	68.7	26%	0.262	36%	0.361	S	S	.	.			trans	-130.3	140.3	175.5	51.5	166.9	0	0	0	110.2	P177 A229 I406 D413	P177-I408 HydrophobicContact CB-CD1 4.37Å; P177-I408 HydrophobicContact CB-CG2 3.93Å; P177-I408 HydrophobicContact CG-CD1 3.84Å; P177-I408 HydrophobicContact CG-CG2 4.39Å; A229-I408 HydrophobicContact CB-CD1 3.84Å; I406-I408 HydrophobicContact CG2-CG2 3.67Å; I406-I408 PolarHBondContact O-N 3.31Å; I408-D413 HydrophobicContact CB-CB 4.24Å; I408-D413 HydrophobicContact CG2-CB 4.32Å
409	K	90.8	Very high	91	Very high	204 Å²	204	73 Å²	73	89%	0.887	39%	0.387	S	S	*	.	S	Bend	trans	-95.1	-25	-177.5	-62.9	175.7	-177.1	172.8	0	112.9	D413	K409-D413 PolarHBondContact N-OD2 3.4Å
410	S	90.8	Very high	90.5	Very high	51 Å²	51	67.2 Å²	67.2	36%	0.357	36%	0.36	S	S	.	.	S	Bend	trans	-153.8	172.9	-178.1	63.7	0	0	0	0	110.8	D412 D413	S410-D412 VanDerWaalsContact C-N 3.25Å; S410-D412 WeakPolarHBondContact CB-OD1 3.36Å; S410-D412 PolarHBondContact O-N 3.49Å; S410-D412 PolarHBondContact OG-OD1 2.68Å; S410-D413 VanDerWaalsContact O-CB 3.24Å; S410-D413 WeakPolarHBondContact O-CB 3.38Å; S410-D413 PolarHBondContact O-N 3.03Å; S410-D413 PolarHBondContact OG-N 2.88Å
411	I	86.3	Confident	90.1	Very high	69 Å²	69	65.5 Å²	65.5	35%	0.354	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-16.3	-174.4	61.6	166.6	0	0	0	112.9	I121 F175 Y464 M465	I121-I411 HydrophobicContact CG1-CD1 4.03Å; I121-I411 HydrophobicContact CG1-CG1 4.31Å; F175-I411 WeakPolarHBondContact CD1-O 3.4Å; I411-Y464 HydrophobicContact CG2-CE2 4.42Å; I411-M465 HydrophobicContact CB-CE 3.96Å; I411-M465 HydrophobicContact CD1-CE 3.79Å; I411-M465 HydrophobicContact CG1-CE 4.4Å; I411-M465 HydrophobicContact CG2-CE 3.13Å; I411-M465 HydrophobicContact CG2-CG 4.02Å; I411-M465 HydrophobicContact CG2-SD 3.87Å
412	D	89.4	Confident	89.4	Confident	72 Å²	72	67.6 Å²	67.6	39%	0.385	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	13.5	176.3	60.1	-19.2	0	0	0	111.1	L112 I121 S410 T414	L112-D412 HydrophobicContact CD2-CB 3.96Å; I121-D412 HydrophobicContact CD1-CB 4.3Å; I121-D412 HydrophobicContact CG1-CB 4.41Å; S410-D412 VanDerWaalsContact C-N 3.25Å; S410-D412 WeakPolarHBondContact CB-OD1 3.36Å; S410-D412 PolarHBondContact O-N 3.49Å; S410-D412 PolarHBondContact OG-OD1 2.68Å; D412-T414 PolarHBondContact O-N 3.18Å
413	D	91.9	Very high	88.6	Confident	18 Å²	18	67.9 Å²	67.9	10%	0.096	37%	0.365	C	S	.	.			trans	-63.3	125.7	177.9	-167.5	-20.4	0	0	0	110	F175 I408 K409 S410 S415	F175-D413 WeakPolarHBondContact CZ-O 3.5Å; I408-D413 HydrophobicContact CB-CB 4.24Å; I408-D413 HydrophobicContact CG2-CB 4.32Å; K409-D413 PolarHBondContact N-OD2 3.4Å; S410-D413 VanDerWaalsContact O-CB 3.24Å; S410-D413 WeakPolarHBondContact O-CB 3.38Å; S410-D413 PolarHBondContact O-N 3.03Å; S410-D413 PolarHBondContact OG-N 2.88Å; D413-S415 WeakPolarHBondContact OD1-CB 3.45Å; D413-S415 PolarHBondContact OD1-N 3.08Å; D413-S415 PolarHBondContact OD1-OG 2.81Å; D413-S415 PolarHBondContact OD2-OG 2.81Å
414	T	93	Very high	87.6	Confident	21 Å²	21	71 Å²	71	13%	0.129	38%	0.377	C	S	.	.			trans	-116	17.2	-180	54.5	0	0	0	0	112.5	K100 I102 L112 F175 D412 N416 F417	K100-T414 HydrophobicContact CD-CG2 4.11Å; K100-T414 VanDerWaalsContact CD-OG1 3.27Å; K100-T414 WeakPolarHBondContact CD-OG1 3.42Å; K100-T414 PolarHBondContact NZ-OG1 3.33Å; K100-T414 VanDerWaalsContact NZ-OG1 3.11Å; I102-T414 HydrophobicContact CG2-CG2 3.72Å; L112-T414 HydrophobicContact CD2-CG2 3.79Å; F175-T414 HydrophobicContact CZ-CG2 4.17Å; D412-T414 PolarHBondContact O-N 3.18Å; T414-N416 PolarHBondContact O-N 3.07Å; T414-F417 PolarHBondContact O-N 2.87Å
415	S	91.6	Very high	86.7	Confident	68 Å²	68	70.7 Å²	70.7	48%	0.476	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-17.9	179.9	61.8	0	0	0	0	114.1	K187 D413	K187-S415 PolarHBondContact NZ-O 3.2Å; D413-S415 WeakPolarHBondContact OD1-CB 3.45Å; D413-S415 PolarHBondContact OD1-N 3.08Å; D413-S415 PolarHBondContact OD1-OG 2.81Å; D413-S415 PolarHBondContact OD2-OG 2.81Å
416	N	91.8	Very high	86	Confident	24 Å²	24	68 Å²	68	13%	0.128	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	6.4	172.5	-64.6	-44.6	0	0	0	114.2	P177 K187 T414	P177-N416 WeakPolarHBondContact O-CB 3.36Å; P177-N416 PolarHBondContact O-ND2 2.91Å; K187-N416 PolarHBondContact NZ-OD1 2.94Å; K187-N416 VanDerWaalsContact NZ-OD1 3.13Å; T414-N416 PolarHBondContact O-N 3.07Å
417	F	88.8	Confident	84.9	Confident	32 Å²	32	71.8 Å²	71.8	14%	0.14	37%	0.372	C	S	.	.	S	Bend	trans	-115.2	153.1	176.5	-64.3	-94.4	0	0	0	110.7	I102 F175 L176 T414	I102-F417 HydrophobicContact CB-CD1 3.93Å; I102-F417 HydrophobicContact CB-CE1 4.34Å; I102-F417 HydrophobicContact CB-CG 4.19Å; I102-F417 HydrophobicContact CD1-CE1 4.37Å; I102-F417 HydrophobicContact CG2-CG 4.49Å; I102-F417 WeakPolarHBondContact O-CD1 3.32Å; F175-F417 HydrophobicContact CD2-CZ 4.46Å; F175-F417 HydrophobicContact CE2-CD2 4.39Å; F175-F417 AromaticContact CE2-CE2 3.48Å; F175-F417 HydrophobicContact CE2-CE2 3.48Å; F175-F417 VanDerWaalsContact CE2-CE2 3.48Å; F175-F417 AromaticContact CE2-CZ 3.56Å; F175-F417 HydrophobicContact CE2-CZ 3.56Å; F175-F417 HydrophobicContact CZ-CD2 4.42Å; F175-F417 AromaticContact CZ-CE2 3.64Å; F175-F417 HydrophobicContact CZ-CE2 3.64Å; F175-F417 HydrophobicContact CZ-CZ 4.2Å; L176-F417 VanDerWaalsContact O-CZ 3.27Å; L176-F417 WeakPolarHBondContact O-CZ 3.49Å; T414-F417 PolarHBondContact O-N 2.87Å
418	D	84.1	Confident	83.6	Confident	20 Å²	20	69.7 Å²	69.7	11%	0.107	37%	0.373	C	S	.	.			trans	-69.3	148.9	170.2	-75.5	-30.7	0	0	0	111.4	R283 F420	R283-D418 VanDerWaalsContact CZ-CG 3.4Å; R283-D418 IonicContact CZ-OD1 3.08Å; R283-D418 IonicContact CZ-OD2 2.68Å; R283-D418 IonicContact NE-OD2 3.26Å; R283-D418 IonicContact NH1-OD1 3.76Å; R283-D418 PolarHBondContact NH1-OD1 2.88Å; R283-D418 IonicContact NH1-OD2 2.76Å; R283-D418 PolarHBondContact NH1-OD2 3.19Å; R283-D418 IonicContact NH2-OD1 3.99Å; R283-D418 PolarHBondContact NH2-OD1 3.05Å; R283-D418 IonicContact NH2-OD2 3.52Å; D418-F420 HydrophobicContact CB-CE2 3.91Å; D418-F420 HydrophobicContact CB-CZ 4.1Å; D418-F420 WeakPolarHBondContact O-CD2 3.08Å; D418-F420 VanDerWaalsContact O-CE2 3.27Å; D418-F420 WeakPolarHBondContact O-CE2 3.39Å
419	D	83.4	Confident	82	Confident	132 Å²	132	71.3 Å²	71.3	71%	0.706	39%	0.385	S	S	*	.			trans	-79.4	122.2	173	-73.8	-40	0	0	0	110.3	K100	K100-D419 VanDerWaalsContact CE-OD1 3.3Å; K100-D419 WeakPolarHBondContact CE-OD1 3.4Å; K100-D419 IonicContact NZ-OD1 2.98Å; K100-D419 PolarHBondContact NZ-OD1 3.22Å
420	F	82.3	Confident	80.2	Confident	34 Å²	34	66.3 Å²	66.3	15%	0.149	37%	0.373	C	S	.	.			trans	-109.1	138.9	174.7	-63	-87.9	0	0	0	110	V101 I102 R104 Y287 D418	V101-F420 HydrophobicContact CB-CB 4.07Å; V101-F420 HydrophobicContact CG1-CB 3.76Å; V101-F420 HydrophobicContact CG1-CD2 4.49Å; V101-F420 HydrophobicContact CG1-CG 4.23Å; I102-F420 WeakPolarHBondContact O-CE2 3.23Å; R104-F420 HydrophobicContact CB-CD1 4.26Å; R104-F420 HydrophobicContact CB-CE1 4.14Å; R104-F420 HydrophobicContact CG-CD1 3.8Å; R104-F420 HydrophobicContact CG-CE1 4.18Å; R104-F420 HydrophobicContact CG-CG 4.39Å; Y287-F420 HydrophobicContact CD1-CE1 4.42Å; Y287-F420 AromaticContact CE1-CE1 3.57Å; Y287-F420 HydrophobicContact CE1-CE1 3.57Å; Y287-F420 AromaticContact CE1-CZ 3.77Å; Y287-F420 HydrophobicContact CE1-CZ 3.77Å; Y287-F420 HydrophobicContact CE2-CE1 4.07Å; Y287-F420 AromaticContact CZ-CE1 3.38Å; Y287-F420 AromaticContact CZ-CZ 3.6Å; Y287-F420 VanDerWaalsContact OH-CE1 3.32Å; Y287-F420 WeakPolarHBondContact OH-CE1 3.36Å; Y287-F420 WeakPolarHBondContact OH-CZ 3.34Å; D418-F420 HydrophobicContact CB-CE2 3.91Å; D418-F420 HydrophobicContact CB-CZ 4.1Å; D418-F420 WeakPolarHBondContact O-CD2 3.08Å; D418-F420 VanDerWaalsContact O-CE2 3.27Å; D418-F420 WeakPolarHBondContact O-CE2 3.39Å
421	P	82.2	Confident	78.2	Confident	88 Å²	88	71.9 Å²	71.9	57%	0.571	40%	0.399	S	S	*	.			trans	-63	159.2	170.5	25.8	-30.2	0	0	0	110.2	R104	R104-P421 PolarHBondContact NH2-O 3.36Å
422	E	78.6	Confident	76.4	Confident	164 Å²	164	73.8 Å²	73.8	77%	0.766	41%	0.414	S	S	*	.			trans	-60.7	159.7	170.9	-70.5	-149.2	154.6	0	0	111.7	R104	R104-E422 PolarHBondContact NH2-O 3.07Å; R104-E422 VanDerWaalsContact NH2-O 3.09Å
423	S	77.6	Confident	74.4	Confident	20 Å²	20	77 Å²	77	14%	0.14	44%	0.436	C	S	.	.			trans	-138.2	142.9	-173.4	166.3	0	0	0	0	109.6	E109 R111 I425	E109-S423 WeakPolarHBondContact OE2-CB 3.17Å; E109-S423 PolarHBondContact OE2-OG 2.91Å; R111-S423 PolarHBondContact NH2-O 3.06Å; R111-S423 VanDerWaalsContact NH2-O 3.11Å; S423-I425 PolarHBondContact O-N 2.9Å; S423-I425 VanDerWaalsContact O-N 3.16Å; S423-I425 PolarHBondContact OG-N 2.94Å
424	D	75.4	Confident	72.4	Confident	106 Å²	106	81.2 Å²	81.2	57%	0.567	46%	0.456	S	S	*	.	G	3₁₀ helix	trans	-77.3	6.7	-178.8	-53.2	-26.2	0	0	0	112.7	L426 Q427	D424-L426 PolarHBondContact O-N 3.13Å; D424-L426 VanDerWaalsContact O-N 3.1Å; D424-Q427 HydrophobicContact CB-CB 4.22Å; D424-Q427 HydrophobicContact CB-CG 4.22Å; D424-Q427 WeakPolarHBondContact O-CB 3.32Å; D424-Q427 PolarHBondContact O-N 3.23Å; D424-Q427 VanDerWaalsContact OD1-CD 3.23Å; D424-Q427 PolarHBondContact OD1-NE2 2.98Å; D424-Q427 PolarHBondContact OD1-OE1 3Å
425	I	76.3	Confident	70.3	Confident	14 Å²	14	84.2 Å²	84.2	7%	0.072	48%	0.475	C	S	.	.	G	3₁₀ helix	trans	-59	-28.5	-176	-153.8	167.5	0	0	0	113.3	E109 I126 R128 N168 S423	E109-I425 HydrophobicContact CG-CD1 4.13Å; E109-I425 HydrophobicContact CG-CG2 3.87Å; E109-I425 WeakPolarHBondContact OE1-CG2 3.4Å; I126-I425 HydrophobicContact CB-CD1 4.38Å; I126-I425 HydrophobicContact CD1-CG2 4Å; I126-I425 HydrophobicContact CG2-CD1 3.97Å; I126-I425 HydrophobicContact CG2-CG1 4.27Å; R128-I425 HydrophobicContact CG-CD1 4.04Å; R128-I425 HydrophobicContact CG-CG1 4.29Å; N168-I425 PolarHBondContact ND2-O 3.48Å; S423-I425 PolarHBondContact O-N 2.9Å; S423-I425 VanDerWaalsContact O-N 3.16Å; S423-I425 PolarHBondContact OG-N 2.94Å
426	L	75.9	Confident	68.3	Low	44 Å²	44	86.8 Å²	86.8	23%	0.23	48%	0.484	C	S	.	.	G	3₁₀ helix	trans	-98.5	-3.5	176.9	-64	-168.5	0	0	0	112.7	L93 R111 M124 I126 Y170 D424	L93-L426 HydrophobicContact CD1-CD1 4.46Å; L93-L426 HydrophobicContact CD1-CD2 4.23Å; L93-L426 HydrophobicContact CD2-CD2 3.87Å; R111-L426 VanDerWaalsContact CZ-CD1 3.47Å; R111-L426 VanDerWaalsContact NH1-CD1 3.31Å; M124-L426 HydrophobicContact CE-CD1 4.36Å; I126-L426 HydrophobicContact CD1-CD1 4.34Å; I126-L426 HydrophobicContact CD1-CD2 3.73Å; I126-L426 HydrophobicContact CD1-CG 4.12Å; Y170-L426 HydrophobicContact CE1-CD2 4.29Å; D424-L426 PolarHBondContact O-N 3.13Å; D424-L426 VanDerWaalsContact O-N 3.1Å
427	Q	71.9	Confident	66.4	Low	106 Å²	106	90.8 Å²	90.8	50%	0.495	50%	0.498	S	S	.	.	S	Bend	trans	-74.1	136.9	179.3	-73.6	-178.4	14.5	0	0	110.9	D424 V429	D424-Q427 HydrophobicContact CB-CB 4.22Å; D424-Q427 HydrophobicContact CB-CG 4.22Å; D424-Q427 WeakPolarHBondContact O-CB 3.32Å; D424-Q427 PolarHBondContact O-N 3.23Å; D424-Q427 VanDerWaalsContact OD1-CD 3.23Å; D424-Q427 PolarHBondContact OD1-NE2 2.98Å; D424-Q427 PolarHBondContact OD1-OE1 3Å; Q427-V429 PolarHBondContact O-N 2.94Å
428	P	61.5	Low	64.6	Low	125 Å²	125	97 Å²	97	81%	0.812	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-68.9	118.8	171.3	22.9	-23.9	0	0	0	109.4
429	V	58	Low	63.1	Low	85 Å²	85	99.2 Å²	99.2	52%	0.515	54%	0.542	S	S	.	.	P	Polyproline II helix	trans	-84	136	175.3	-175.4	0	0	0	0	108	R167 Q427	R167-V429 VanDerWaalsContact NH1-CB 3.31Å; R167-V429 PolarHBondContact NH2-O 2.96Å; Q427-V429 PolarHBondContact O-N 2.94Å
430	P	53.3	Low	62	Low	99 Å²	99	98.7 Å²	98.7	64%	0.643	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-54.1	144.5	178	17.4	-29.6	0	0	0	112.4	T432	P430-T432 PolarHBondContact O-N 3.08Å
431	N	49.4	Very low	61.2	Low	169 Å²	169	99.9 Å²	99.9	90%	0.904	54%	0.541	S	S	*	.	S	Bend	trans	-59.4	14.8	-169.4	-90.1	-17.6	0	0	0	117.4
432	T	48.3	Very low	60.5	Low	108 Å²	108	100.8 Å²	100.8	66%	0.663	53%	0.533	S	S	*	.	S	Bend	trans	-108.9	118	-175.9	47.2	0	0	0	0	109.6	P430	P430-T432 PolarHBondContact O-N 3.08Å
433	T	47	Very low	60	Low	139 Å²	139	93.9 Å²	93.9	85%	0.853	50%	0.502	S	S	*	.			trans	73.9	56.4	177	69.8	0	0	0	0	117.2
434	E	50.1	Low	59.9	Low	107 Å²	107	93.2 Å²	93.2	50%	0.5	50%	0.497	S	S	.	.			trans	-84.3	123.6	153.5	-76.2	-164.7	170	0	0	109.2	R167 D436	R167-E434 IonicContact CZ-OE1 2.69Å; R167-E434 IonicContact NE-OE1 3.76Å; R167-E434 PolarHBondContact NE-OE1 3.04Å; R167-E434 IonicContact NH2-OE1 3.73Å; R167-E434 PolarHBondContact NH2-OE1 3.49Å; E434-D436 PolarHBondContact O-N 3.24Å
435	P	49.4	Very low	59.5	Low	84 Å²	84	90.8 Å²	90.8	55%	0.545	48%	0.484	S	S	.	.			trans	-55.2	137	162.5	-15.3	28	0	0	0	108	Y437	P435-Y437 HydrophobicContact CB-CD2 3.97Å; P435-Y437 HydrophobicContact CB-CE2 3.71Å; P435-Y437 HydrophobicContact CG-CD2 4.32Å; P435-Y437 HydrophobicContact CG-CE2 3.69Å; P435-Y437 VanDerWaalsContact O-CD2 3.24Å; P435-Y437 WeakPolarHBondContact O-CD2 3.46Å; P435-Y437 PolarHBondContact O-N 3.04Å
436	D	48.6	Very low	59.2	Low	122 Å²	122	93.2 Å²	93.2	65%	0.652	50%	0.496	S	S	*	.			trans	-69.6	77	-179.4	-162.2	15.7	0	0	0	110.3	E434 K438	E434-D436 PolarHBondContact O-N 3.24Å; D436-K438 PolarHBondContact O-N 2.96Å; D436-K438 VanDerWaalsContact O-N 3.07Å; D436-K438 WeakPolarHBondContact OD1-CB 3.5Å; D436-K438 VanDerWaalsContact OD1-CD 3.24Å; D436-K438 WeakPolarHBondContact OD1-CD 3.33Å; D436-K438 WeakPolarHBondContact OD1-CG 3.36Å
437	Y	52.5	Low	59.3	Low	108 Å²	108	91.4 Å²	91.4	42%	0.424	49%	0.487	S	S	.	.	G	3₁₀ helix	trans	-67.5	-1.5	177.5	-80.6	-81.3	0	0	0	112.6	L133 P435 S439 K440	L133-Y437 HydrophobicContact CD1-CD1 3.85Å; L133-Y437 HydrophobicContact CD1-CE1 4.12Å; P435-Y437 HydrophobicContact CB-CD2 3.97Å; P435-Y437 HydrophobicContact CB-CE2 3.71Å; P435-Y437 HydrophobicContact CG-CD2 4.32Å; P435-Y437 HydrophobicContact CG-CE2 3.69Å; P435-Y437 VanDerWaalsContact O-CD2 3.24Å; P435-Y437 WeakPolarHBondContact O-CD2 3.46Å; P435-Y437 PolarHBondContact O-N 3.04Å; Y437-S439 PolarHBondContact O-N 2.7Å; Y437-K440 PolarHBondContact O-N 3.43Å
438	K	51.9	Low	59.7	Low	164 Å²	164	90.1 Å²	90.1	71%	0.713	49%	0.486	S	S	*	.	G	3₁₀ helix	trans	-52	-27	174.4	-74.3	-176.5	-172.1	164.8	0	113.4	D436 K440	D436-K438 PolarHBondContact O-N 2.96Å; D436-K438 VanDerWaalsContact O-N 3.07Å; D436-K438 WeakPolarHBondContact OD1-CB 3.5Å; D436-K438 VanDerWaalsContact OD1-CD 3.24Å; D436-K438 WeakPolarHBondContact OD1-CD 3.33Å; D436-K438 WeakPolarHBondContact OD1-CG 3.36Å; K438-K440 VanDerWaalsContact C-N 3.28Å; K438-K440 PolarHBondContact O-N 2.73Å
439	S	51.5	Low	60.7	Low	65 Å²	65	86.8 Å²	86.8	46%	0.455	46%	0.458	S	S	.	.	G	3₁₀ helix	trans	-68.3	-19.5	179.1	171.6	0	0	0	0	114	E25 Y437 W442	E25-S439 VanDerWaalsContact OE1-O 3.07Å; Y437-S439 PolarHBondContact O-N 2.7Å; S439-W442 PolarHBondContact O-NE1 3.34Å
440	K	60.3	Low	61.7	Low	122 Å²	122	83.8 Å²	83.8	53%	0.53	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.5	2.3	-176.4	-67	-171.2	179.9	-178.3	0	115.6	L133 Y437 K438 W442 V443	L133-K440 HydrophobicContact CD1-CB 4.18Å; L133-K440 HydrophobicContact CD2-CB 4.31Å; L133-K440 HydrophobicContact CD2-CD 4.39Å; Y437-K440 PolarHBondContact O-N 3.43Å; K438-K440 VanDerWaalsContact C-N 3.28Å; K438-K440 PolarHBondContact O-N 2.73Å; K440-W442 PolarHBondContact O-N 3.49Å; K440-V443 WeakPolarHBondContact O-CG1 3.48Å; K440-V443 VanDerWaalsContact O-CG2 3.28Å; K440-V443 WeakPolarHBondContact O-CG2 3.28Å; K440-V443 PolarHBondContact O-N 3.01Å; K440-V443 VanDerWaalsContact O-N 3.09Å
441	D	65.6	Low	63	Low	59 Å²	59	79.9 Å²	79.9	32%	0.316	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-59.3	-24.1	-179.9	-107.1	-14.5	0	0	0	113.8	K129 V443 F444	K129-D441 IonicContact NZ-OD1 3.52Å; K129-D441 PolarHBondContact NZ-OD1 3.28Å; K129-D441 IonicContact NZ-OD2 3.95Å; D441-V443 PolarHBondContact O-N 3.1Å; D441-V443 VanDerWaalsContact O-N 3.13Å; D441-F444 PolarHBondContact O-N 3.43Å
442	W	66.6	Low	64.1	Low	107 Å²	107	73 Å²	73	41%	0.405	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-60.1	-21	176.6	67.6	-95	0	0	0	113.4	V29 L32 S439 K440 F444 L445	V29-W442 HydrophobicContact CG2-CB 3.99Å; V29-W442 HydrophobicContact CG2-CG 4.34Å; L32-W442 HydrophobicContact CD1-CE3 4.45Å; S439-W442 PolarHBondContact O-NE1 3.34Å; K440-W442 PolarHBondContact O-N 3.49Å; W442-F444 PolarHBondContact O-N 3.24Å; W442-L445 WeakPolarHBondContact O-CB 3.14Å; W442-L445 PolarHBondContact O-N 2.79Å; W442-L445 VanDerWaalsContact O-N 3.13Å
443	V	69.4	Low	65.2	Low	19 Å²	19	71.6 Å²	71.6	12%	0.115	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-69.4	-19.4	176.4	-51.7	0	0	0	0	112.5	L133 V138 R142 K440 D441	L133-V443 HydrophobicContact CD2-CG2 3.89Å; V138-V443 HydrophobicContact CG1-CB 4.05Å; V138-V443 HydrophobicContact CG1-CG2 3.93Å; V138-V443 HydrophobicContact CG2-CG2 3.97Å; R142-V443 PolarHBondContact NE-O 3.29Å; R142-V443 PolarHBondContact NH2-O 3.12Å; K440-V443 WeakPolarHBondContact O-CG1 3.48Å; K440-V443 VanDerWaalsContact O-CG2 3.28Å; K440-V443 WeakPolarHBondContact O-CG2 3.28Å; K440-V443 PolarHBondContact O-N 3.01Å; K440-V443 VanDerWaalsContact O-N 3.09Å; D441-V443 PolarHBondContact O-N 3.1Å; D441-V443 VanDerWaalsContact O-N 3.13Å
444	F	74.2	Confident	65.8	Low	6 Å²	6	65.3 Å²	65.3	3%	0.026	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-99.5	13.4	175.1	-53	-66.9	0	0	0	112.3	K129 M132 L133 V138 I141 Q164 L169 D441 W442 Y447	K129-F444 HydrophobicContact CB-CE2 4.07Å; K129-F444 HydrophobicContact CB-CZ 4.34Å; K129-F444 HydrophobicContact CD-CD2 4.06Å; K129-F444 HydrophobicContact CD-CE2 4.02Å; K129-F444 HydrophobicContact CG-CD2 4.24Å; K129-F444 HydrophobicContact CG-CE2 3.84Å; K129-F444 HydrophobicContact CG-CZ 4.2Å; M132-F444 HydrophobicContact CB-CZ 4.26Å; L133-F444 HydrophobicContact CD1-CE2 4.42Å; L133-F444 HydrophobicContact CD2-CE2 4.4Å; L133-F444 HydrophobicContact CD2-CZ 4.31Å; L133-F444 HydrophobicContact CG-CE2 4.3Å; L133-F444 HydrophobicContact CG-CZ 4.2Å; V138-F444 HydrophobicContact CG1-CD1 4.47Å; V138-F444 HydrophobicContact CG1-CE1 4.17Å; V138-F444 HydrophobicContact CG2-CE1 3.99Å; V138-F444 HydrophobicContact CG2-CZ 4.08Å; I141-F444 HydrophobicContact CD1-CE1 4.06Å; Q164-F444 PolarHBondContact NE2-O 2.78Å; L169-F444 HydrophobicContact CD1-CD1 3.7Å; L169-F444 HydrophobicContact CD1-CE1 3.67Å; L169-F444 HydrophobicContact CD1-CZ 4.46Å; L169-F444 HydrophobicContact CD2-CB 4.24Å; L169-F444 HydrophobicContact CD2-CD1 3.99Å; L169-F444 HydrophobicContact CD2-CG 4.04Å; L169-F444 HydrophobicContact CG-CD1 4.42Å; D441-F444 PolarHBondContact O-N 3.43Å; W442-F444 PolarHBondContact O-N 3.24Å; F444-Y447 WeakPolarHBondContact O-CB 3.3Å; F444-Y447 PolarHBondContact O-N 3Å; F444-Y447 VanDerWaalsContact O-N 3.07Å
445	L	67.8	Low	66.1	Low	55 Å²	55	61.3 Å²	61.3	29%	0.288	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	142.3	171	-156.7	76	0	0	0	109.4	L32 W442 Y447	L32-L445 HydrophobicContact CB-CD2 4.29Å; W442-L445 WeakPolarHBondContact O-CB 3.14Å; W442-L445 PolarHBondContact O-N 2.79Å; W442-L445 VanDerWaalsContact O-N 3.13Å; L445-Y447 PolarHBondContact O-N 3.31Å
446	N	70.2	Confident	66.1	Low	64 Å²	64	60 Å²	60	34%	0.342	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.3	4.9	-171.2	-53.5	-24.6	0	0	0	116.4	N36 R145 T448	N36-N446 PolarHBondContact ND2-ND2 2.92Å; N36-N446 PolarHBondContact OD1-ND2 3.02Å; R145-N446 VanDerWaalsContact NH1-C 3.26Å; R145-N446 PolarHBondContact NH1-O 3.13Å; N446-T448 PolarHBondContact O-N 3.09Å; N446-T448 VanDerWaalsContact O-N 3.13Å
447	Y	77.3	Confident	66.3	Low	6 Å²	6	55.9 Å²	55.9	2%	0.024	27%	0.27	C	S	.	.			trans	-57.9	-30.3	178.5	-175.2	-100	0	0	0	112.8	I141 S162 F163 Q164 L169 Y170 L171 F444 L445 Y449	I141-Y447 HydrophobicContact CG2-CD2 4.02Å; I141-Y447 HydrophobicContact CG2-CE2 3.44Å; I141-Y447 VanDerWaalsContact CG2-CE2 3.44Å; S162-Y447 WeakPolarHBondContact CB-O 3.48Å; S162-Y447 PolarHBondContact OG-O 3.43Å; F163-Y447 WeakPolarHBondContact O-CE1 3.3Å; Q164-Y447 HydrophobicContact CB-CD1 4.15Å; L169-Y447 HydrophobicContact CB-CD1 4.5Å; L169-Y447 HydrophobicContact CB-CE1 3.77Å; L169-Y447 HydrophobicContact CB-CE2 4.28Å; L169-Y447 HydrophobicContact CD1-CD2 4.43Å; L169-Y447 HydrophobicContact CD1-CE2 4.12Å; L169-Y447 HydrophobicContact CD2-CD1 3.97Å; L169-Y447 HydrophobicContact CD2-CD2 4.41Å; L169-Y447 HydrophobicContact CD2-CE1 4.1Å; L169-Y447 HydrophobicContact CD2-CG 4.12Å; L169-Y447 HydrophobicContact CG-CE1 4.44Å; Y170-Y447 PolarHBondContact O-OH 3.5Å; L171-Y447 WeakPolarHBondContact CD1-OH 3.41Å; L171-Y447 WeakPolarHBondContact CG-OH 3.39Å; F444-Y447 WeakPolarHBondContact O-CB 3.3Å; F444-Y447 PolarHBondContact O-N 3Å; F444-Y447 VanDerWaalsContact O-N 3.07Å; L445-Y447 PolarHBondContact O-N 3.31Å; Y447-Y449 PolarHBondContact O-N 2.85Å
448	T	81.2	Confident	65.8	Low	80 Å²	80	57.5 Å²	57.5	49%	0.491	28%	0.276	S	S	.	.			trans	-70.7	122.9	-177.1	-52	0	0	0	0	112.7	S162 N446	S162-T448 VanDerWaalsContact O-CA 3.23Å; S162-T448 WeakPolarHBondContact O-CA 3.23Å; S162-T448 WeakPolarHBondContact O-CG2 3.46Å; N446-T448 PolarHBondContact O-N 3.09Å; N446-T448 VanDerWaalsContact O-N 3.13Å
449	Y	82.3	Confident	65.2	Low	55 Å²	55	53.4 Å²	53.4	22%	0.216	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	151.4	178.1	171.1	-96.1	0	0	0	111.3	V149 M159 Y161 S162 Y447 R451	V149-Y449 HydrophobicContact CB-CE2 4.4Å; V149-Y449 HydrophobicContact CG1-CD2 4.43Å; V149-Y449 HydrophobicContact CG1-CE2 3.7Å; V149-Y449 HydrophobicContact CG2-CD1 4.03Å; V149-Y449 HydrophobicContact CG2-CD2 3.84Å; V149-Y449 HydrophobicContact CG2-CE1 3.95Å; V149-Y449 HydrophobicContact CG2-CE2 3.76Å; V149-Y449 HydrophobicContact CG2-CG 3.96Å; M159-Y449 HydrophobicContact CE-CD1 3.46Å; M159-Y449 VanDerWaalsContact CE-CD1 3.46Å; M159-Y449 HydrophobicContact CE-CE1 3.81Å; M159-Y449 HydrophobicContact CE-CG 4.16Å; Y161-Y449 VanDerWaalsContact CA-O 3.32Å; Y161-Y449 WeakPolarHBondContact CA-O 3.27Å; S162-Y449 PolarHBondContact N-O 3.12Å; S162-Y449 PolarHBondContact O-N 2.97Å; S162-Y449 VanDerWaalsContact OG-CB 3.27Å; S162-Y449 WeakPolarHBondContact OG-CB 3.5Å; S162-Y449 PolarHBondContact OG-N 3.26Å; Y447-Y449 PolarHBondContact O-N 2.85Å; Y449-R451 HydrophobicContact CE1-CB 3.77Å
450	K	79.8	Confident	64.4	Low	22 Å²	22	53.7 Å²	53.7	10%	0.096	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	120.2	173.6	-58.3	-178.2	-168.2	149.4	0	110.5	F83 L86 K87 T89 L91 Y161	F83-K450 WeakPolarHBondContact CE2-O 3.43Å; F83-K450 WeakPolarHBondContact CZ-O 3.49Å; L86-K450 HydrophobicContact CG-CD 4.02Å; L86-K450 PolarHBondContact O-NZ 2.93Å; K87-K450 PolarHBondContact O-NZ 2.92Å; T89-K450 PolarHBondContact O-NZ 3.28Å; L91-K450 HydrophobicContact CD1-CD 3.93Å; L91-K450 HydrophobicContact CD1-CG 4.12Å; Y161-K450 HydrophobicContact CD1-CB 4.21Å; Y161-K450 HydrophobicContact CD1-CG 4.21Å
451	R	80.1	Confident	63.3	Low	17 Å²	17	52.7 Å²	52.7	6%	0.064	28%	0.281	C	S	.	.			trans	-77.4	139.7	179.6	-165.9	173.7	-62.6	-138.3	6.4	111.7	L148 K158 M159 F160 Y449 E453 G454	L148-R451 PolarHBondContact O-NH2 3.43Å; K158-R451 VanDerWaalsContact CE-CD 3.45Å; M159-R451 PolarHBondContact O-NE 2.97Å; M159-R451 PolarHBondContact O-NH2 3.46Å; F160-R451 WeakPolarHBondContact O-CB 3.49Å; F160-R451 PolarHBondContact O-N 3.44Å; Y449-R451 HydrophobicContact CE1-CB 3.77Å; R451-E453 WeakPolarHBondContact CD-OE2 3.4Å; R451-E453 WeakPolarHBondContact CG-OE2 3.41Å; R451-G454 PolarHBondContact O-N 3.07Å
452	F	73.1	Confident	62	Low	24 Å²	24	51.8 Å²	51.8	11%	0.105	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-61	-46.4	178.6	-174.3	-103.1	0	0	0	112.4	K79 E80 F83 G454 L455	K79-F452 HydrophobicContact CB-CZ 3.92Å; E80-F452 HydrophobicContact CG-CE2 4.26Å; E80-F452 HydrophobicContact CG-CZ 4.26Å; F83-F452 HydrophobicContact CB-CD2 3.79Å; F83-F452 HydrophobicContact CB-CE2 3.77Å; F83-F452 AromaticContact CD1-CD2 3.47Å; F83-F452 HydrophobicContact CD1-CD2 3.47Å; F83-F452 VanDerWaalsContact CD1-CD2 3.47Å; F83-F452 HydrophobicContact CD1-CE2 4.04Å; F83-F452 AromaticContact CD2-CD2 3.95Å; F83-F452 HydrophobicContact CD2-CD2 3.95Å; F83-F452 HydrophobicContact CE1-CB 4.35Å; F83-F452 AromaticContact CE1-CD2 3.83Å; F83-F452 HydrophobicContact CE1-CD2 3.83Å; F83-F452 HydrophobicContact CE2-CB 4.22Å; F83-F452 HydrophobicContact CE2-CD2 4.31Å; F83-F452 AromaticContact CG-CD2 3.48Å; F83-F452 HydrophobicContact CG-CD2 3.48Å; F83-F452 VanDerWaalsContact CG-CD2 3.48Å; F83-F452 AromaticContact CG-CE2 3.98Å; F83-F452 HydrophobicContact CG-CE2 3.98Å; F83-F452 HydrophobicContact CZ-CB 4.06Å; F83-F452 HydrophobicContact CZ-CD2 4.23Å; F452-G454 PolarHBondContact O-N 3.18Å; F452-G454 VanDerWaalsContact O-N 3.11Å; F452-L455 HydrophobicContact CD2-CD1 4.14Å; F452-L455 HydrophobicContact CE2-CD1 4.24Å; F452-L455 WeakPolarHBondContact O-CB 3.47Å; F452-L455 WeakPolarHBondContact O-CD1 3.1Å; F452-L455 WeakPolarHBondContact O-CG 3.36Å; F452-L455 PolarHBondContact O-N 3.12Å; F452-L455 VanDerWaalsContact O-N 3.09Å
453	E	69.8	Low	60.5	Low	79 Å²	79	52.3 Å²	52.3	37%	0.369	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-66.5	-14.6	179.4	-58.5	77.8	-155.2	0	0	113.1	R451 L455 T456	R451-E453 WeakPolarHBondContact CD-OE2 3.4Å; R451-E453 WeakPolarHBondContact CG-OE2 3.41Å; E453-L455 PolarHBondContact O-N 3.33Å; E453-L455 VanDerWaalsContact O-N 3.13Å; E453-T456 PolarHBondContact O-N 3.36Å; E453-T456 VanDerWaalsContact O-N 3.11Å; E453-T456 PolarHBondContact O-OG1 3.14Å
454	G	59.3	Low	59.4	Low	6 Å²	6	57.7 Å²	57.7	6%	0.062	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-62.4	-14.5	171.8	0	0	0	0	0	113.5	Y161 R451 F452	Y161-G454 PolarHBondContact OH-O 3.05Å; Y161-G454 VanDerWaalsContact OH-O 3.08Å; R451-G454 PolarHBondContact O-N 3.07Å; F452-G454 PolarHBondContact O-N 3.18Å; F452-G454 VanDerWaalsContact O-N 3.11Å
455	L	56.3	Low	57.8	Low	23 Å²	23	60.7 Å²	60.7	12%	0.12	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-76	-34.7	172.9	-68.7	157.9	0	0	0	113	E82 F83 L86 F452 E453 Q457 R458	E82-L455 HydrophobicContact CB-CD2 4.08Å; F83-L455 VanDerWaalsContact CA-CD1 3.47Å; F83-L455 HydrophobicContact CB-CD1 3.38Å; F83-L455 HydrophobicContact CD2-CD1 3.67Å; F83-L455 HydrophobicContact CD2-CG 4.33Å; F83-L455 HydrophobicContact CG-CD1 3.88Å; L86-L455 HydrophobicContact CB-CD2 3.95Å; L86-L455 HydrophobicContact CD2-CD2 3.71Å; L86-L455 HydrophobicContact CD2-CG 4.06Å; L86-L455 HydrophobicContact CG-CD2 4.43Å; F452-L455 HydrophobicContact CD2-CD1 4.14Å; F452-L455 HydrophobicContact CE2-CD1 4.24Å; F452-L455 WeakPolarHBondContact O-CB 3.47Å; F452-L455 WeakPolarHBondContact O-CD1 3.1Å; F452-L455 WeakPolarHBondContact O-CG 3.36Å; F452-L455 PolarHBondContact O-N 3.12Å; F452-L455 VanDerWaalsContact O-N 3.09Å; E453-L455 PolarHBondContact O-N 3.33Å; E453-L455 VanDerWaalsContact O-N 3.13Å; L455-Q457 PolarHBondContact O-N 2.95Å; L455-R458 PolarHBondContact O-N 3.14Å
456	T	50.3	Low	56.2	Low	56 Å²	56	66 Å²	66	34%	0.344	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-7.9	-171.3	46.6	0	0	0	0	113.7	K79 E453 R458	K79-T456 HydrophobicContact CD-CG2 4.02Å; E453-T456 PolarHBondContact O-N 3.36Å; E453-T456 VanDerWaalsContact O-N 3.11Å; E453-T456 PolarHBondContact O-OG1 3.14Å; T456-R458 PolarHBondContact O-N 2.91Å
457	Q	53.1	Low	54.5	Low	36 Å²	36	67.3 Å²	67.3	17%	0.168	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	2.1	174.6	-72.6	-179.1	-23.4	0	0	113.7	H120 Y122 L455 G459	H120-Q457 PolarHBondContact CD2-OE1 3.14Å; H120-Q457 VanDerWaalsContact CD2-OE1 3.3Å; H120-Q457 PolarHBondContact NE2-NE2 3.27Å; H120-Q457 PolarHBondContact NE2-OE1 3.46Å; Y122-Q457 VanDerWaalsContact CZ-OE1 3.29Å; Y122-Q457 PolarHBondContact OH-OE1 3.03Å; L455-Q457 PolarHBondContact O-N 2.95Å; Q457-G459 PolarHBondContact O-N 2.9Å
458	R	41	Very low	52.7	Low	143 Å²	143	70.4 Å²	70.4	54%	0.54	40%	0.402	S	S	.	.	S	Bend	trans	-67.4	99.2	158.7	-77.2	-174.4	176.4	-156.9	-6.2	109.6	D117 T118 L455 T456	D117-R458 IonicContact OD2-NH2 3.75Å; T118-R458 HydrophobicContact CG2-CG 3.76Å; L455-R458 PolarHBondContact O-N 3.14Å; T456-R458 PolarHBondContact O-N 2.91Å
459	G	40.1	Very low	50.4	Low	77 Å²	77	76.3 Å²	76.3	79%	0.794	42%	0.421	S	S	*	.	S	Bend	trans	90.7	4.8	159.1	0	0	0	0	0	117.3	Q457 I461	Q457-G459 PolarHBondContact O-N 2.9Å; G459-I461 PolarHBondContact O-N 3.03Å
460	S	33.9	Very low	47.9	Very low	72 Å²	72	85.8 Å²	85.8	50%	0.503	47%	0.473	S	S	.	.			trans	-95	82.1	165.5	66.5	0	0	0	0	110.4	P462	S460-P462 VanDerWaalsContact O-CD 3.23Å; S460-P462 WeakPolarHBondContact O-CD 3.43Å; S460-P462 VanDerWaalsContact O-N 3.13Å
461	I	37.1	Very low	46.3	Very low	101 Å²	101	89 Å²	89	52%	0.518	49%	0.492	S	S	.	.			trans	-46.1	110.5	147.5	-73.7	178.9	0	0	0	105.8	G459 M465	G459-I461 PolarHBondContact O-N 3.03Å; I461-M465 HydrophobicContact CB-CB 4.4Å; I461-M465 HydrophobicContact CB-SD 4.05Å; I461-M465 HydrophobicContact CG1-SD 4.12Å; I461-M465 HydrophobicContact CG2-CB 3.17Å; I461-M465 HydrophobicContact CG2-CG 4Å; I461-M465 HydrophobicContact CG2-SD 3.65Å
462	P	38.9	Very low	44.5	Very low	39 Å²	39	92.7 Å²	92.7	25%	0.253	52%	0.515	S	S	.	.			trans	-48.1	148	177.2	-29.5	38.3	0	0	0	110.5	S460 Y464 M465	S460-P462 VanDerWaalsContact O-CD 3.23Å; S460-P462 WeakPolarHBondContact O-CD 3.43Å; S460-P462 VanDerWaalsContact O-N 3.13Å; P462-Y464 HydrophobicContact CB-CD1 3.43Å; P462-Y464 VanDerWaalsContact CB-CD1 3.43Å; P462-Y464 HydrophobicContact CB-CD2 4.4Å; P462-Y464 HydrophobicContact CB-CE1 3.1Å; P462-Y464 HydrophobicContact CB-CE2 4.11Å; P462-Y464 HydrophobicContact CB-CG 4.09Å; P462-Y464 VanDerWaalsContact CB-CZ 3.47Å; P462-Y464 HydrophobicContact CG-CD1 4.46Å; P462-Y464 HydrophobicContact CG-CE1 3.69Å; P462-Y464 HydrophobicContact CG-CE2 4.39Å; P462-Y464 PolarHBondContact O-N 3.34Å; P462-M465 HydrophobicContact CG-CE 3.91Å; P462-M465 WeakPolarHBondContact O-CA 3.24Å; P462-M465 WeakPolarHBondContact O-CB 3.45Å; P462-M465 PolarHBondContact O-N 2.82Å
463	T	35.3	Very low	42.9	Very low	118 Å²	118	96.6 Å²	96.6	72%	0.724	54%	0.538	S	S	*	.	G	3₁₀ helix	trans	-54.7	-27.9	-176.3	28.4	0	0	0	0	113.5	M465 K466	T463-M465 VanDerWaalsContact C-N 3.27Å; T463-M465 PolarHBondContact O-N 3.37Å; T463-K466 PolarHBondContact O-N 3.23Å; T463-K466 VanDerWaalsContact O-N 3.1Å
464	Y	46.2	Very low	41.3	Very low	133 Å²	133	97.6 Å²	97.6	52%	0.522	55%	0.548	S	S	.	.	G	3₁₀ helix	trans	-66.2	-23.3	172.9	64.5	-105.4	0	0	0	114.1	I411 P462 K466	I411-Y464 HydrophobicContact CG2-CE2 4.42Å; P462-Y464 HydrophobicContact CB-CD1 3.43Å; P462-Y464 VanDerWaalsContact CB-CD1 3.43Å; P462-Y464 HydrophobicContact CB-CD2 4.4Å; P462-Y464 HydrophobicContact CB-CE1 3.1Å; P462-Y464 HydrophobicContact CB-CE2 4.11Å; P462-Y464 HydrophobicContact CB-CG 4.09Å; P462-Y464 VanDerWaalsContact CB-CZ 3.47Å; P462-Y464 HydrophobicContact CG-CD1 4.46Å; P462-Y464 HydrophobicContact CG-CE1 3.69Å; P462-Y464 HydrophobicContact CG-CE2 4.39Å; P462-Y464 PolarHBondContact O-N 3.34Å; Y464-K466 VanDerWaalsContact C-N 3.3Å
465	M	40.4	Very low	40.2	Very low	68 Å²	68	103.3 Å²	103.3	34%	0.335	58%	0.578	S	S	.	*	G	3₁₀ helix	trans	-80.6	-5.3	173.1	-67.4	-171.7	-155.4	0	0	112.9	I411 I461 P462 T463	I411-M465 HydrophobicContact CB-CE 3.96Å; I411-M465 HydrophobicContact CD1-CE 3.79Å; I411-M465 HydrophobicContact CG1-CE 4.4Å; I411-M465 HydrophobicContact CG2-CE 3.13Å; I411-M465 HydrophobicContact CG2-CG 4.02Å; I411-M465 HydrophobicContact CG2-SD 3.87Å; I461-M465 HydrophobicContact CB-CB 4.4Å; I461-M465 HydrophobicContact CB-SD 4.05Å; I461-M465 HydrophobicContact CG1-SD 4.12Å; I461-M465 HydrophobicContact CG2-CB 3.17Å; I461-M465 HydrophobicContact CG2-CG 4Å; I461-M465 HydrophobicContact CG2-SD 3.65Å; P462-M465 HydrophobicContact CG-CE 3.91Å; P462-M465 WeakPolarHBondContact O-CA 3.24Å; P462-M465 WeakPolarHBondContact O-CB 3.45Å; P462-M465 PolarHBondContact O-N 2.82Å; T463-M465 VanDerWaalsContact C-N 3.27Å; T463-M465 PolarHBondContact O-N 3.37Å
466	K	35.7	Very low	39.1	Very low	167 Å²	167	108.7 Å²	108.7	73%	0.726	61%	0.608	S	S	*	*	G	3₁₀ helix	trans	-85.6	-17.8	173.1	-73.7	-175.8	177.7	-179.5	0	113.3	T463 Y464 G468	T463-K466 PolarHBondContact O-N 3.23Å; T463-K466 VanDerWaalsContact O-N 3.1Å; Y464-K466 VanDerWaalsContact C-N 3.3Å; K466-G468 PolarHBondContact O-N 3.04Å
467	A	34.1	Very low	38.3	Very low	91 Å²	91	112.4 Å²	112.4	75%	0.752	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.4	79.3	179.2	0	0	0	0	0	110
468	G	38.3	Very low	37.2	Very low	71 Å²	71	118.3 Å²	118.3	73%	0.732	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	177.6	5.3	178.5	0	0	0	0	0	116.6	K466	K466-G468 PolarHBondContact O-N 3.04Å
469	K	33.3	Very low	36.9	Very low	205 Å²	205	116.3 Å²	116.3	89%	0.891	67%	0.673	S	S	*	*			trans	-127.3	83.2	167.7	-74.7	-171.6	177.3	-178.6	0	109.6
470	L	29.5	Very low	36.6	Very low	253 Å²	253	119.8 Å²	119.8	100%	1.325	66%	0.662	S	S	*	*			trans	-134.6	0	146.5	-96.1	165.4	0	0	0	107.5

Retrieved 470 of 470 residues in 95.1 ms (Link to these results)

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