A0A077Z395_TRITR Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A077Z395, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 645 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	40	Very low	58.3	Low	246 Å²	246	117.8 Å²	117.8	100%	1.212	61%	0.611	S	S	*	*				0	157.7	0	-66.6	161.5	179.8	0	0	108.9
2	Q	40	Very low	60.4	Low	156 Å²	156	115.5 Å²	115.5	73%	0.729	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-91.5	142.7	166.6	-65.4	-174	17	0	0	108.9
3	A	54.6	Low	62.6	Low	84 Å²	84	109.8 Å²	109.8	69%	0.694	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-70.4	147.5	176.3	0	0	0	0	0	111.2
4	P	58.1	Low	64.3	Low	43 Å²	43	109.1 Å²	109.1	28%	0.279	59%	0.587	S	S	.	*	P	Polyproline II helix	trans	-63.4	145.8	175.4	27.5	-35	0	0	0	111.3	L6 D18 F20	P4-L6 HydrophobicContact CG-CD1 4.24Å; P4-L6 PolarHBondContact O-N 2.87Å; P4-D18 HydrophobicContact CB-CB 4.13Å; P4-D18 WeakPolarHBondContact CB-OD1 3.36Å; P4-D18 WeakPolarHBondContact CG-OD1 3.32Å; P4-F20 HydrophobicContact CB-CE1 4.49Å
5	L	56.7	Low	65.8	Low	98 Å²	98	105.3 Å²	105.3	51%	0.513	58%	0.583	S	S	.	*			trans	-83.8	64.9	179.3	-73.5	169.8	0	0	0	110.9	S7 V19	L5-S7 VanDerWaalsContact C-N 3.34Å; L5-S7 PolarHBondContact O-N 3.41Å; L5-V19 PolarHBondContact N-O 3.45Å
6	L	51.4	Low	67.5	Low	115 Å²	115	102.5 Å²	102.5	60%	0.602	57%	0.567	S	S	*	*			trans	-72.1	85.4	172.9	-78.1	166	0	0	0	110.7	P4 N14	P4-L6 HydrophobicContact CG-CD1 4.24Å; P4-L6 PolarHBondContact O-N 2.87Å; L6-N14 WeakPolarHBondContact CD2-OD1 3.26Å
7	S	53.5	Low	69	Low	58 Å²	58	98.5 Å²	98.5	41%	0.406	54%	0.541	S	S	.	.			trans	-104.4	154.6	163.4	62.9	0	0	0	0	110.4	L5 E9 Y10	L5-S7 VanDerWaalsContact C-N 3.34Å; L5-S7 PolarHBondContact O-N 3.41Å; S7-E9 PolarHBondContact O-N 3.4Å; S7-Y10 PolarHBondContact O-N 2.83Å
8	Q	60.6	Low	70.3	Confident	192 Å²	192	95.7 Å²	95.7	90%	0.897	53%	0.526	S	S	*	.	G	3₁₀ helix	trans	-54.5	-14.7	172.4	-76.9	176.9	-50.2	0	0	113.9	Y10	Q8-Y10 PolarHBondContact O-N 3.39Å; Q8-Y10 VanDerWaalsContact O-N 3.14Å
9	E	68.6	Low	71.4	Confident	104 Å²	104	91.1 Å²	91.1	49%	0.486	50%	0.5	S	S	.	.	G	3₁₀ helix	trans	-64.3	-14.2	178.4	-163.8	175.3	-143	0	0	113.5	S7 K49	S7-E9 PolarHBondContact O-N 3.4Å; E9-K49 VanDerWaalsContact OE1-CE 3.3Å; E9-K49 WeakPolarHBondContact OE1-CE 3.2Å; E9-K49 IonicContact OE1-NZ 2.63Å; E9-K49 PolarHBondContact OE1-NZ 3.13Å
10	Y	77.7	Confident	72.2	Confident	42 Å²	42	87.9 Å²	87.9	17%	0.165	48%	0.481	C	S	.	.	G	3₁₀ helix	trans	-131.1	29.5	-172.8	-53.6	-63.6	0	0	0	114.7	S7 Q8 A12 L13 I47	S7-Y10 PolarHBondContact O-N 2.83Å; Q8-Y10 PolarHBondContact O-N 3.39Å; Q8-Y10 VanDerWaalsContact O-N 3.14Å; Y10-A12 VanDerWaalsContact C-N 3.28Å; Y10-A12 PolarHBondContact O-N 3.07Å; Y10-A12 VanDerWaalsContact O-N 3.13Å; Y10-L13 PolarHBondContact O-N 3Å; Y10-I47 HydrophobicContact CD1-CD1 4.2Å; Y10-I47 HydrophobicContact CE1-CD1 3.73Å; Y10-I47 HydrophobicContact CE1-CG1 4.44Å; Y10-I47 HydrophobicContact CE1-CG2 3.8Å
11	E	79.6	Confident	72.8	Confident	158 Å²	158	87.1 Å²	87.1	74%	0.738	47%	0.474	S	S	*	.	G	3₁₀ helix	trans	-49.1	-41.7	-175.5	-175	165.8	-144.7	0	0	114.6	L13 N14	E11-L13 PolarHBondContact O-N 3.43Å; E11-N14 WeakPolarHBondContact O-CB 3.24Å; E11-N14 PolarHBondContact O-N 3.01Å
12	A	83.8	Confident	74.8	Confident	90 Å²	90	78.6 Å²	78.6	74%	0.744	44%	0.436	S	S	*	.	G	3₁₀ helix	trans	-67.3	-3.9	178.2	0	0	0	0	0	115.5	Y10	Y10-A12 VanDerWaalsContact C-N 3.28Å; Y10-A12 PolarHBondContact O-N 3.07Å; Y10-A12 VanDerWaalsContact O-N 3.13Å
13	L	88.9	Confident	76.6	Confident	41 Å²	41	74.5 Å²	74.5	22%	0.215	42%	0.419	C	S	.	.	G	3₁₀ helix	trans	-106.3	-10.3	171.6	-59.3	178.1	0	0	0	112.5	Y10 E11 L16 Y17 V19 I45	Y10-L13 PolarHBondContact O-N 3Å; E11-L13 PolarHBondContact O-N 3.43Å; L13-L16 PolarHBondContact O-N 3.34Å; L13-L16 VanDerWaalsContact O-N 3.11Å; L13-Y17 HydrophobicContact CD2-CD2 3.99Å; L13-Y17 HydrophobicContact CD2-CE2 4.48Å; L13-Y17 PolarHBondContact O-N 2.73Å; L13-V19 HydrophobicContact CB-CG2 4.42Å; L13-V19 HydrophobicContact CD1-CG2 3.92Å; L13-I45 HydrophobicContact CD1-CD1 4.37Å; L13-I45 HydrophobicContact CD1-CG2 4.1Å
14	N	86.3	Confident	77.5	Confident	101 Å²	101	71.8 Å²	71.8	54%	0.54	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	138.1	-174.1	-168.8	17.2	0	0	0	111.4	L6 E11 L16	L6-N14 WeakPolarHBondContact CD2-OD1 3.26Å; E11-N14 WeakPolarHBondContact O-CB 3.24Å; E11-N14 PolarHBondContact O-N 3.01Å; N14-L16 PolarHBondContact O-N 2.96Å; N14-L16 VanDerWaalsContact O-N 3.11Å
15	G	87.2	Confident	78	Confident	51 Å²	51	73.2 Å²	73.2	53%	0.526	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.6	-5.8	-173.6	0	0	0	0	0	115.7
16	L	92.6	Very high	78.5	Confident	61 Å²	61	71.1 Å²	71.1	32%	0.319	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.2	-42.8	178.7	-51.3	-177.1	0	0	0	111.8	L13 N14 I37	L13-L16 PolarHBondContact O-N 3.34Å; L13-L16 VanDerWaalsContact O-N 3.11Å; N14-L16 PolarHBondContact O-N 2.96Å; N14-L16 VanDerWaalsContact O-N 3.11Å; L16-I37 PolarHBondContact O-N 3.35Å
17	Y	93.5	Very high	79.1	Confident	34 Å²	34	69.6 Å²	69.6	13%	0.133	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	128.9	-178.8	-58.6	-90.8	0	0	0	112.3	L13 V19 V35 H36 V43 I45 A308	L13-Y17 HydrophobicContact CD2-CD2 3.99Å; L13-Y17 HydrophobicContact CD2-CE2 4.48Å; L13-Y17 PolarHBondContact O-N 2.73Å; Y17-V19 PolarHBondContact O-N 3.39Å; Y17-V35 CarbonylContact C-O 3.42Å; Y17-V35 VanDerWaalsContact CA-O 3.28Å; Y17-V35 WeakPolarHBondContact CA-O 3.46Å; Y17-H36 HydrophobicContact CD1-CB 3.93Å; Y17-H36 HydrophobicContact CE1-CB 3.72Å; Y17-H36 AromaticContact CE1-CD2 3.64Å; Y17-H36 AromaticContact CE1-CG 3.97Å; Y17-H36 AromaticContact CZ-CD2 3.87Å; Y17-V43 HydrophobicContact CD1-CG2 3.8Å; Y17-V43 HydrophobicContact CE1-CG2 3.99Å; Y17-I45 HydrophobicContact CD1-CD1 4.38Å; Y17-I45 HydrophobicContact CG-CD1 4.27Å; Y17-A308 WeakPolarHBondContact OH-CB 3.2Å
18	D	92.2	Very high	79.8	Confident	49 Å²	49	72.1 Å²	72.1	26%	0.262	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	122	163.5	-81.1	-47.4	0	0	0	109	P4 F20 G34 V35	P4-D18 HydrophobicContact CB-CB 4.13Å; P4-D18 WeakPolarHBondContact CB-OD1 3.36Å; P4-D18 WeakPolarHBondContact CG-OD1 3.32Å; D18-F20 HydrophobicContact CB-CD2 4.41Å; D18-F20 HydrophobicContact CB-CE2 3.5Å; D18-F20 VanDerWaalsContact CB-CE2 3.5Å; D18-F20 HydrophobicContact CB-CZ 3.73Å; D18-F20 WeakPolarHBondContact O-CD2 3.46Å; D18-F20 WeakPolarHBondContact O-CE2 3.5Å; D18-G34 CarbonylContact O-C 3.59Å; D18-G34 WeakPolarHBondContact O-CA 3.34Å; D18-V35 HydrophobicContact CB-CB 4.41Å; D18-V35 PolarHBondContact N-O 2.94Å; D18-V35 PolarHBondContact O-N 3.13Å
19	V	90.5	Very high	80.5	Confident	7 Å²	7	63.7 Å²	63.7	4%	0.042	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	122.8	-174.1	178.9	0	0	0	0	110.6	L5 L13 Y17 K32 I45	L5-V19 PolarHBondContact N-O 3.45Å; L13-V19 HydrophobicContact CB-CG2 4.42Å; L13-V19 HydrophobicContact CD1-CG2 3.92Å; Y17-V19 PolarHBondContact O-N 3.39Å; V19-K32 HydrophobicContact CG1-CB 4.41Å; V19-K32 HydrophobicContact CG1-CD 3.39Å; V19-I45 HydrophobicContact CG2-CD1 4.26Å
20	F	88.6	Confident	81.1	Confident	28 Å²	28	64.6 Å²	64.6	12%	0.123	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	-139.6	-173.4	-58.6	-91.1	0	0	0	112.6	P4 D18 K32 R33 V35	P4-F20 HydrophobicContact CB-CE1 4.49Å; D18-F20 HydrophobicContact CB-CD2 4.41Å; D18-F20 HydrophobicContact CB-CE2 3.5Å; D18-F20 VanDerWaalsContact CB-CE2 3.5Å; D18-F20 HydrophobicContact CB-CZ 3.73Å; D18-F20 WeakPolarHBondContact O-CD2 3.46Å; D18-F20 WeakPolarHBondContact O-CE2 3.5Å; F20-K32 WeakPolarHBondContact O-CD 3.11Å; F20-K32 WeakPolarHBondContact O-CE 3.36Å; F20-K32 PolarHBondContact O-NZ 2.71Å; F20-R33 VanDerWaalsContact CB-NH2 3.26Å; F20-R33 PolarHBondContact N-O 3.31Å; F20-V35 HydrophobicContact CD2-CG2 4.37Å; F20-V35 HydrophobicContact CE2-CB 3.99Å; F20-V35 HydrophobicContact CE2-CG2 3.63Å; F20-V35 HydrophobicContact CZ-CG2 4.4Å
21	E	85.5	Confident	81.4	Confident	72 Å²	72	64.6 Å²	64.6	34%	0.336	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	157.3	-175.8	71.6	-73.3	166.7	0	0	114.1	I23 K32 R33	E21-I23 HydrophobicContact CG-CG2 4.4Å; E21-K32 VanDerWaalsContact O-CA 3.29Å; E21-K32 WeakPolarHBondContact O-CA 3.47Å; E21-R33 PolarHBondContact O-N 2.95Å; E21-R33 IonicContact OE1-CZ 2.7Å; E21-R33 IonicContact OE1-NE 3.91Å; E21-R33 PolarHBondContact OE1-NE 2.99Å; E21-R33 IonicContact OE1-NH2 2.88Å; E21-R33 PolarHBondContact OE1-NH2 2.81Å; E21-R33 IonicContact OE2-CZ 2.73Å; E21-R33 IonicContact OE2-NE 3.87Å; E21-R33 IonicContact OE2-NH2 3.81Å; E21-R33 PolarHBondContact OE2-NH2 2.81Å
22	T	81.9	Confident	81.7	Confident	67 Å²	67	57.9 Å²	57.9	41%	0.411	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	118.1	172.1	-57	0	0	0	0	109.3	G24 S25 K30 V31	T22-G24 WeakPolarHBondContact CG2-O 3.14Å; T22-S25 WeakPolarHBondContact CG2-OG 3.44Å; T22-K30 HydrophobicContact CG2-CB 4.37Å; T22-V31 CarbonylContact C-O 3.59Å; T22-V31 WeakPolarHBondContact CA-O 3.34Å; T22-V31 WeakPolarHBondContact CG2-O 3.41Å
23	I	77	Confident	81.8	Confident	70 Å²	70	55.6 Å²	55.6	36%	0.359	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	-19.5	178.9	57.6	175	0	0	0	112.8	E21 V31 R33 A44 Y81	E21-I23 HydrophobicContact CG-CG2 4.4Å; I23-V31 HydrophobicContact CD1-CG1 3.89Å; I23-V31 HydrophobicContact CG1-CB 4.13Å; I23-V31 HydrophobicContact CG1-CG1 3.84Å; I23-V31 WeakPolarHBondContact CG1-O 3.28Å; I23-V31 PolarHBondContact N-O 3.48Å; I23-R33 HydrophobicContact CD1-CB 4.48Å; I23-R33 HydrophobicContact CG2-CB 3.9Å; I23-A44 HydrophobicContact CD1-CB 4.29Å; I23-Y81 HydrophobicContact CD1-CD2 3.81Å; I23-Y81 HydrophobicContact CD1-CE2 3.59Å; I23-Y81 HydrophobicContact CG2-CE2 4.48Å
24	G	72.3	Confident	81.9	Confident	27 Å²	27	53.6 Å²	53.6	28%	0.278	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	157.2	175.8	0	0	0	0	0	112.5	T22 V31	T22-G24 WeakPolarHBondContact CG2-O 3.14Å; G24-V31 PolarHBondContact N-O 3.38Å; G24-V31 VanDerWaalsContact N-O 3.07Å; G24-V31 PolarHBondContact O-N 3.48Å
25	S	69.7	Low	82.2	Confident	72 Å²	72	49.9 Å²	49.9	50%	0.503	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	117.6	176.6	-73.3	0	0	0	0	110.9	T22	T22-S25 WeakPolarHBondContact CG2-OG 3.44Å
26	G	66.5	Low	82.5	Confident	55 Å²	55	47.5 Å²	47.5	57%	0.567	28%	0.283	S	S	*	.			trans	-111.2	-177	172.1	0	0	0	0	0	111.6	F28 A29	G26-F28 VanDerWaalsContact C-N 3.28Å; G26-F28 PolarHBondContact O-N 3Å; G26-A29 PolarHBondContact N-O 3.34Å
27	G	64.9	Low	82.6	Confident	83 Å²	83	47.9 Å²	47.9	86%	0.856	29%	0.285	S	S	*	.	S	Bend	trans	-58.3	-32.7	-172.6	0	0	0	0	0	115.5
28	F	67.5	Low	82.6	Confident	111 Å²	111	47.5 Å²	47.5	49%	0.487	29%	0.285	S	S	.	.	S	Bend	trans	-121.3	-6.3	-176.5	-52.3	-72.7	0	0	0	114.4	G26 L53	G26-F28 VanDerWaalsContact C-N 3.28Å; G26-F28 PolarHBondContact O-N 3Å; F28-L53 HydrophobicContact CB-CD2 3.86Å; F28-L53 HydrophobicContact CG-CD2 4.38Å
29	A	75.9	Confident	82.7	Confident	14 Å²	14	45.7 Å²	45.7	12%	0.116	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	142.1	-167.8	0	0	0	0	0	111.9	G26 K46 I47 M48	G26-A29 PolarHBondContact N-O 3.34Å; A29-K46 HydrophobicContact CB-CG 4.02Å; A29-I47 CarbonylContact C-O 3.58Å; A29-I47 WeakPolarHBondContact CA-O 3.4Å; A29-M48 HydrophobicContact CB-CG 3.61Å; A29-M48 HydrophobicContact CB-SD 4.31Å
30	K	81.6	Confident	82.9	Confident	124 Å²	124	48 Å²	48	54%	0.539	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	128.3	164.5	-66.7	-173.1	177.2	179.3	0	108.6	T22 I47	T22-K30 HydrophobicContact CG2-CB 4.37Å; K30-I47 PolarHBondContact N-O 2.89Å; K30-I47 WeakPolarHBondContact O-CB 3.45Å; K30-I47 PolarHBondContact O-N 3.49Å
31	V	83	Confident	83	Confident	41 Å²	41	47.3 Å²	47.3	25%	0.248	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	124.3	173.2	-168.1	0	0	0	0	107.9	T22 I23 G24 A44 I45 K46	T22-V31 CarbonylContact C-O 3.59Å; T22-V31 WeakPolarHBondContact CA-O 3.34Å; T22-V31 WeakPolarHBondContact CG2-O 3.41Å; I23-V31 HydrophobicContact CD1-CG1 3.89Å; I23-V31 HydrophobicContact CG1-CB 4.13Å; I23-V31 HydrophobicContact CG1-CG1 3.84Å; I23-V31 WeakPolarHBondContact CG1-O 3.28Å; I23-V31 PolarHBondContact N-O 3.48Å; G24-V31 PolarHBondContact N-O 3.38Å; G24-V31 VanDerWaalsContact N-O 3.07Å; G24-V31 PolarHBondContact O-N 3.48Å; V31-A44 HydrophobicContact CG1-CB 4.11Å; V31-I45 WeakPolarHBondContact CA-O 3.41Å; V31-K46 HydrophobicContact CG2-CG 4.44Å
32	K	85.7	Confident	83.3	Confident	17 Å²	17	47.2 Å²	47.2	7%	0.074	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	151.1	174	-77.9	-165.3	160.9	-145.2	0	111.3	V19 F20 E21 I45 I47	V19-K32 HydrophobicContact CG1-CB 4.41Å; V19-K32 HydrophobicContact CG1-CD 3.39Å; F20-K32 WeakPolarHBondContact O-CD 3.11Å; F20-K32 WeakPolarHBondContact O-CE 3.36Å; F20-K32 PolarHBondContact O-NZ 2.71Å; E21-K32 VanDerWaalsContact O-CA 3.29Å; E21-K32 WeakPolarHBondContact O-CA 3.47Å; K32-I45 PolarHBondContact N-O 3.46Å; K32-I45 PolarHBondContact O-N 2.9Å; K32-I47 HydrophobicContact CB-CD1 4.2Å; K32-I47 HydrophobicContact CD-CD1 3.73Å; K32-I47 HydrophobicContact CG-CD1 3.91Å
33	R	87.4	Confident	83.7	Confident	42 Å²	42	44.1 Å²	44.1	16%	0.158	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	134.1	161	-169.7	177.9	59.9	72.6	14.2	108.3	F20 E21 I23 N42 Y81	F20-R33 VanDerWaalsContact CB-NH2 3.26Å; F20-R33 PolarHBondContact N-O 3.31Å; E21-R33 PolarHBondContact O-N 2.95Å; E21-R33 IonicContact OE1-CZ 2.7Å; E21-R33 IonicContact OE1-NE 3.91Å; E21-R33 PolarHBondContact OE1-NE 2.99Å; E21-R33 IonicContact OE1-NH2 2.88Å; E21-R33 PolarHBondContact OE1-NH2 2.81Å; E21-R33 IonicContact OE2-CZ 2.73Å; E21-R33 IonicContact OE2-NE 3.87Å; E21-R33 IonicContact OE2-NH2 3.81Å; E21-R33 PolarHBondContact OE2-NH2 2.81Å; I23-R33 HydrophobicContact CD1-CB 4.48Å; I23-R33 HydrophobicContact CG2-CB 3.9Å; R33-N42 WeakPolarHBondContact CD-OD1 3.5Å; R33-N42 PolarHBondContact NH1-OD1 3.14Å; R33-Y81 HydrophobicContact CG-CE2 4.42Å
34	G	90.8	Very high	84.2	Confident	0 Å²	0	42 Å²	42	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	169.3	167.8	0	0	0	0	0	111.3	D18 N42 V43	D18-G34 CarbonylContact O-C 3.59Å; D18-G34 WeakPolarHBondContact O-CA 3.34Å; G34-N42 CarbonylContact O-C 3.57Å; G34-N42 WeakPolarHBondContact O-CA 3.49Å; G34-V43 PolarHBondContact N-O 2.99Å; G34-V43 PolarHBondContact O-N 3.16Å
35	V	92.7	Very high	84.9	Confident	23 Å²	23	41.9 Å²	41.9	14%	0.139	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	124.5	165.8	173.6	0	0	0	0	108.3	Y17 D18 F20 I37 T41 N42	Y17-V35 CarbonylContact C-O 3.42Å; Y17-V35 VanDerWaalsContact CA-O 3.28Å; Y17-V35 WeakPolarHBondContact CA-O 3.46Å; D18-V35 HydrophobicContact CB-CB 4.41Å; D18-V35 PolarHBondContact N-O 2.94Å; D18-V35 PolarHBondContact O-N 3.13Å; F20-V35 HydrophobicContact CD2-CG2 4.37Å; F20-V35 HydrophobicContact CE2-CB 3.99Å; F20-V35 HydrophobicContact CE2-CG2 3.63Å; F20-V35 HydrophobicContact CZ-CG2 4.4Å; V35-I37 PolarHBondContact O-N 2.96Å; V35-T41 CarbonylContact C-O 3.6Å; V35-T41 WeakPolarHBondContact CA-O 3.16Å; V35-N42 WeakPolarHBondContact CG2-OD1 3.46Å
36	H	93.8	Very high	85.6	Confident	0 Å²	0	42 Å²	42	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	110.7	175	176.2	-126.6	0	0	0	109.8	Y17 L38 T39 G40 T41 V43 H305 T309 I312	Y17-H36 HydrophobicContact CD1-CB 3.93Å; Y17-H36 HydrophobicContact CE1-CB 3.72Å; Y17-H36 AromaticContact CE1-CD2 3.64Å; Y17-H36 AromaticContact CE1-CG 3.97Å; Y17-H36 AromaticContact CZ-CD2 3.87Å; H36-L38 PolarHBondContact O-N 2.97Å; H36-T39 WeakPolarHBondContact ND1-CG2 3.37Å; H36-T39 PolarHBondContact ND1-OG1 2.96Å; H36-T39 PolarHBondContact O-N 2.97Å; H36-T39 VanDerWaalsContact O-N 3.07Å; H36-T39 PolarHBondContact O-OG1 3.04Å; H36-G40 PolarHBondContact O-N 2.98Å; H36-T41 PolarHBondContact N-O 3.15Å; H36-V43 HydrophobicContact CB-CG1 4.35Å; H36-H305 AromaticContact CD2-NE2 3.65Å; H36-H305 AromaticContact NE2-CE1 3.55Å; H36-H305 AromaticContact NE2-NE2 3.2Å; H36-H305 PolarHBondContact NE2-NE2 2.93Å; H36-H305 VanDerWaalsContact NE2-NE2 3.2Å; H36-T309 PolarHBondContact CE1-OG1 3.27Å; H36-T309 PolarHBondContact NE2-OG1 2.84Å; H36-I312 HydrophobicContact CB-CD1 3.84Å
37	I	94.1	Very high	86.5	Confident	69 Å²	69	40.9 Å²	40.9	35%	0.354	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-61.1	-41.3	-162.4	-69.1	174	0	0	0	111.9	L16 V35 T39	L16-I37 PolarHBondContact O-N 3.35Å; V35-I37 PolarHBondContact O-N 2.96Å; I37-T39 PolarHBondContact O-N 3.27Å; I37-T39 VanDerWaalsContact O-N 3.14Å
38	L	94.1	Very high	87.3	Confident	27 Å²	27	39.6 Å²	39.6	14%	0.141	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-65.5	-18.2	-179.1	-63.9	-168.3	0	0	0	114.7	H36 L325 P326	H36-L38 PolarHBondContact O-N 2.97Å; L38-L325 HydrophobicContact CB-CD2 4.25Å; L38-L325 WeakPolarHBondContact O-CD2 3.41Å; L38-P326 WeakPolarHBondContact O-CD 3.45Å
39	T	94.1	Very high	87.9	Confident	11 Å²	11	38.8 Å²	38.8	7%	0.067	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-127	0.1	-173	63.3	0	0	0	0	113.7	H36 I37 T41 I312 L313 R316 L325	H36-T39 WeakPolarHBondContact ND1-CG2 3.37Å; H36-T39 PolarHBondContact ND1-OG1 2.96Å; H36-T39 PolarHBondContact O-N 2.97Å; H36-T39 VanDerWaalsContact O-N 3.07Å; H36-T39 PolarHBondContact O-OG1 3.04Å; I37-T39 PolarHBondContact O-N 3.27Å; I37-T39 VanDerWaalsContact O-N 3.14Å; T39-T41 PolarHBondContact O-N 2.67Å; T39-T41 PolarHBondContact O-OG1 3.48Å; T39-T41 WeakPolarHBondContact OG1-CB 3.24Å; T39-T41 PolarHBondContact OG1-OG1 2.86Å; T39-T41 VanDerWaalsContact OG1-OG1 3.13Å; T39-I312 HydrophobicContact CG2-CG2 4.08Å; T39-I312 WeakPolarHBondContact OG1-CG2 3.39Å; T39-L313 HydrophobicContact CG2-CD2 3.76Å; T39-R316 PolarHBondContact O-NH1 3.03Å; T39-L325 HydrophobicContact CG2-CD2 3.65Å
40	G	92.9	Very high	88.1	Confident	54 Å²	54	45 Å²	45	56%	0.557	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	56	19.7	-173.1	0	0	0	0	0	115	H36	H36-G40 PolarHBondContact O-N 2.98Å
41	T	92.1	Very high	87.8	Confident	15 Å²	15	42.7 Å²	42.7	9%	0.092	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	130.2	-167.8	-55.8	0	0	0	0	111.6	V35 H36 T39 I312 M315 R316	V35-T41 CarbonylContact C-O 3.6Å; V35-T41 WeakPolarHBondContact CA-O 3.16Å; H36-T41 PolarHBondContact N-O 3.15Å; T39-T41 PolarHBondContact O-N 2.67Å; T39-T41 PolarHBondContact O-OG1 3.48Å; T39-T41 WeakPolarHBondContact OG1-CB 3.24Å; T39-T41 PolarHBondContact OG1-OG1 2.86Å; T39-T41 VanDerWaalsContact OG1-OG1 3.13Å; T41-I312 HydrophobicContact CG2-CG2 3.94Å; T41-M315 HydrophobicContact CG2-CE 3.6Å; T41-R316 WeakPolarHBondContact OG1-CD 3.38Å; T41-R316 PolarHBondContact OG1-NH1 3.07Å
42	N	90.5	Very high	87.4	Confident	69 Å²	69	47.1 Å²	47.1	37%	0.369	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	136.8	174.1	-75	-73	0	0	0	111.3	R33 G34 V35 Y81	R33-N42 WeakPolarHBondContact CD-OD1 3.5Å; R33-N42 PolarHBondContact NH1-OD1 3.14Å; G34-N42 CarbonylContact O-C 3.57Å; G34-N42 WeakPolarHBondContact O-CA 3.49Å; V35-N42 WeakPolarHBondContact CG2-OD1 3.46Å; N42-Y81 HydrophobicContact CB-CD1 4.14Å
43	V	91.1	Very high	86.8	Confident	3 Å²	3	46.6 Å²	46.6	2%	0.018	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	158.5	179	-65.9	0	0	0	0	111	Y17 G34 H36 I45 Y79 I312	Y17-V43 HydrophobicContact CD1-CG2 3.8Å; Y17-V43 HydrophobicContact CE1-CG2 3.99Å; G34-V43 PolarHBondContact N-O 2.99Å; G34-V43 PolarHBondContact O-N 3.16Å; H36-V43 HydrophobicContact CB-CG1 4.35Å; V43-I45 HydrophobicContact CG2-CD1 4.31Å; V43-I45 HydrophobicContact CG2-CG1 4.1Å; V43-Y79 VanDerWaalsContact CA-O 3.3Å; V43-Y79 WeakPolarHBondContact CA-O 3.39Å; V43-Y79 WeakPolarHBondContact CB-O 3.48Å; V43-Y79 WeakPolarHBondContact CG1-O 3.49Å; V43-I312 HydrophobicContact CG1-CD1 3.98Å
44	A	86.7	Confident	86.3	Confident	24 Å²	24	52 Å²	52	20%	0.198	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	131.6	169.4	0	0	0	0	0	110.4	I23 V31 Y79 Y81	I23-A44 HydrophobicContact CD1-CB 4.29Å; V31-A44 HydrophobicContact CG1-CB 4.11Å; A44-Y79 PolarHBondContact N-O 3.07Å; A44-Y81 HydrophobicContact CB-CD2 4.5Å
45	I	88	Confident	85.5	Confident	25 Å²	25	60.3 Å²	60.3	13%	0.128	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	108	-177.3	-52.9	-178.7	0	0	0	109.4	L13 Y17 V19 V31 K32 V43 I47	L13-I45 HydrophobicContact CD1-CD1 4.37Å; L13-I45 HydrophobicContact CD1-CG2 4.1Å; Y17-I45 HydrophobicContact CD1-CD1 4.38Å; Y17-I45 HydrophobicContact CG-CD1 4.27Å; V19-I45 HydrophobicContact CG2-CD1 4.26Å; V31-I45 WeakPolarHBondContact CA-O 3.41Å; K32-I45 PolarHBondContact N-O 3.46Å; K32-I45 PolarHBondContact O-N 2.9Å; V43-I45 HydrophobicContact CG2-CD1 4.31Å; V43-I45 HydrophobicContact CG2-CG1 4.1Å; I45-I47 HydrophobicContact CG2-CD1 4.47Å; I45-I47 HydrophobicContact CG2-CG1 3.92Å; I45-I47 PolarHBondContact O-N 3.24Å
46	K	85.2	Confident	84.6	Confident	76 Å²	76	60.4 Å²	60.4	33%	0.33	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	94.7	177.8	-167.8	-178.9	-167.5	-177.1	0	110.3	A29 V31 M48 E63 D143	A29-K46 HydrophobicContact CB-CG 4.02Å; V31-K46 HydrophobicContact CG2-CG 4.44Å; K46-M48 HydrophobicContact CD-CE 4.33Å; K46-M48 HydrophobicContact CD-SD 4.4Å; K46-M48 HydrophobicContact CG-CE 4.42Å; K46-M48 HydrophobicContact CG-CG 4.48Å; K46-M48 HydrophobicContact CG-SD 4.49Å; K46-E63 IonicContact NZ-OE1 2.66Å; K46-E63 PolarHBondContact NZ-OE1 3.47Å; K46-E63 IonicContact NZ-OE2 3.85Å; K46-E63 PolarHBondContact NZ-OE2 3.36Å; K46-D143 IonicContact NZ-OD1 2.76Å
47	I	84.9	Confident	83.9	Confident	30 Å²	30	63 Å²	63	15%	0.154	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	122.3	-177.1	-61.4	169.1	0	0	0	109.9	Y10 A29 K30 K32 I45	Y10-I47 HydrophobicContact CD1-CD1 4.2Å; Y10-I47 HydrophobicContact CE1-CD1 3.73Å; Y10-I47 HydrophobicContact CE1-CG1 4.44Å; Y10-I47 HydrophobicContact CE1-CG2 3.8Å; A29-I47 CarbonylContact C-O 3.58Å; A29-I47 WeakPolarHBondContact CA-O 3.4Å; K30-I47 PolarHBondContact N-O 2.89Å; K30-I47 WeakPolarHBondContact O-CB 3.45Å; K30-I47 PolarHBondContact O-N 3.49Å; K32-I47 HydrophobicContact CB-CD1 4.2Å; K32-I47 HydrophobicContact CD-CD1 3.73Å; K32-I47 HydrophobicContact CG-CD1 3.91Å; I45-I47 HydrophobicContact CG2-CD1 4.47Å; I45-I47 HydrophobicContact CG2-CG1 3.92Å; I45-I47 PolarHBondContact O-N 3.24Å
48	M	81.4	Confident	83.1	Confident	56 Å²	56	63.4 Å²	63.4	28%	0.276	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	133.3	-179.6	-64.1	177.5	-75.7	0	0	111.1	A29 K46 L53 V60	A29-M48 HydrophobicContact CB-CG 3.61Å; A29-M48 HydrophobicContact CB-SD 4.31Å; K46-M48 HydrophobicContact CD-CE 4.33Å; K46-M48 HydrophobicContact CD-SD 4.4Å; K46-M48 HydrophobicContact CG-CE 4.42Å; K46-M48 HydrophobicContact CG-CG 4.48Å; K46-M48 HydrophobicContact CG-SD 4.49Å; M48-L53 HydrophobicContact CB-CD1 4.06Å; M48-V60 HydrophobicContact CE-CG1 3.78Å; M48-V60 HydrophobicContact SD-CG1 4.28Å; M48-V60 HydrophobicContact SD-CG2 3.96Å
49	K	79.9	Confident	82.2	Confident	94 Å²	94	66.8 Å²	66.8	41%	0.409	34%	0.342	S	S	.	.			trans	-91.5	107.3	179.9	-69.4	-166.8	173.7	-167.4	0	110.9	E9 A51 Y52	E9-K49 VanDerWaalsContact OE1-CE 3.3Å; E9-K49 WeakPolarHBondContact OE1-CE 3.2Å; E9-K49 IonicContact OE1-NZ 2.63Å; E9-K49 PolarHBondContact OE1-NZ 3.13Å; K49-A51 PolarHBondContact O-N 3Å; K49-Y52 HydrophobicContact CB-CD2 3.82Å; K49-Y52 HydrophobicContact CB-CE2 4.15Å; K49-Y52 HydrophobicContact CB-CG 4.49Å; K49-Y52 HydrophobicContact CD-CD2 4.45Å; K49-Y52 HydrophobicContact CD-CE2 3.94Å; K49-Y52 PolarHBondContact O-N 3.35Å
50	K	79.8	Confident	81.4	Confident	144 Å²	144	67.2 Å²	67.2	63%	0.626	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-44.7	-40.5	-178.4	-68.3	-176.3	178.8	179.5	0	113.7	Y52 L53	K50-Y52 VanDerWaalsContact C-N 3.25Å; K50-Y52 PolarHBondContact O-N 2.84Å; K50-L53 PolarHBondContact O-N 3.26Å; K50-L53 VanDerWaalsContact O-N 3.14Å
51	A	76.6	Confident	80.9	Confident	76 Å²	76	70.3 Å²	70.3	63%	0.628	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-61.2	-25.4	179.7	0	0	0	0	0	115.2	K49	K49-A51 PolarHBondContact O-N 3Å
52	Y	74.2	Confident	80.3	Confident	135 Å²	135	73.6 Å²	73.6	53%	0.529	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-93.2	-20.2	176.8	-56.1	-32.2	0	0	0	112.9	K49 K50 K54	K49-Y52 HydrophobicContact CB-CD2 3.82Å; K49-Y52 HydrophobicContact CB-CE2 4.15Å; K49-Y52 HydrophobicContact CB-CG 4.49Å; K49-Y52 HydrophobicContact CD-CD2 4.45Å; K49-Y52 HydrophobicContact CD-CE2 3.94Å; K49-Y52 PolarHBondContact O-N 3.35Å; K50-Y52 VanDerWaalsContact C-N 3.25Å; K50-Y52 PolarHBondContact O-N 2.84Å; Y52-K54 VanDerWaalsContact C-N 3.29Å; Y52-K54 PolarHBondContact O-N 3.16Å
53	L	71.5	Confident	79.8	Confident	6 Å²	6	71.1 Å²	71.1	3%	0.031	34%	0.344	C	S	.	.			trans	-74.2	-8.7	-175.5	-72.2	176.3	0	0	0	114.9	F28 M48 K50 H55 D56 L57 V60	F28-L53 HydrophobicContact CB-CD2 3.86Å; F28-L53 HydrophobicContact CG-CD2 4.38Å; M48-L53 HydrophobicContact CB-CD1 4.06Å; K50-L53 PolarHBondContact O-N 3.26Å; K50-L53 VanDerWaalsContact O-N 3.14Å; L53-H55 PolarHBondContact O-N 3.02Å; L53-D56 CarbonylContact O-C 3.36Å; L53-D56 VanDerWaalsContact O-CA 3.31Å; L53-D56 WeakPolarHBondContact O-CA 3.44Å; L53-D56 PolarHBondContact O-N 2.76Å; L53-L57 HydrophobicContact CB-CD2 3.71Å; L53-L57 HydrophobicContact CB-CG 3.74Å; L53-L57 HydrophobicContact CD1-CD2 3.91Å; L53-L57 HydrophobicContact CG-CD2 4.5Å; L53-L57 PolarHBondContact O-N 3.42Å; L53-V60 HydrophobicContact CD1-CG2 3.97Å; L53-V60 HydrophobicContact CD2-CG2 3.91Å
54	K	78	Confident	79.4	Confident	155 Å²	155	74.7 Å²	74.7	67%	0.674	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-5.6	-74.1	-176	-64.7	-172.4	176.5	-172.4	0	117.4	Y52	Y52-K54 VanDerWaalsContact C-N 3.29Å; Y52-K54 PolarHBondContact O-N 3.16Å
55	H	74	Confident	79.2	Confident	174 Å²	174	76.3 Å²	76.3	81%	0.806	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-15.2	-176.6	-61.8	-68.7	0	0	0	114.2	L53 P58	L53-H55 PolarHBondContact O-N 3.02Å; H55-P58 WeakPolarHBondContact O-CD 3.47Å
56	D	74.4	Confident	79	Confident	26 Å²	26	75.1 Å²	75.1	14%	0.139	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-5.9	176.2	-63.8	-83	0	0	0	113.1	L53 P58 R59 V60	L53-D56 CarbonylContact O-C 3.36Å; L53-D56 VanDerWaalsContact O-CA 3.31Å; L53-D56 WeakPolarHBondContact O-CA 3.44Å; L53-D56 PolarHBondContact O-N 2.76Å; D56-P58 VanDerWaalsContact C-CD 3.47Å; D56-P58 VanDerWaalsContact C-N 3.32Å; D56-R59 WeakPolarHBondContact O-CA 3.36Å; D56-R59 VanDerWaalsContact O-CB 3.28Å; D56-R59 WeakPolarHBondContact O-CB 3.46Å; D56-R59 PolarHBondContact O-N 3.31Å; D56-R59 WeakPolarHBondContact OD1-CD 3.48Å; D56-R59 IonicContact OD1-CZ 3.89Å; D56-R59 IonicContact OD1-NE 3.64Å; D56-R59 IonicContact OD1-NH1 3.04Å; D56-R59 PolarHBondContact OD1-NH1 2.86Å; D56-V60 PolarHBondContact O-N 3.15Å; D56-V60 VanDerWaalsContact O-N 3.1Å
57	L	77.4	Confident	78.9	Confident	55 Å²	55	72.7 Å²	72.7	29%	0.288	35%	0.352	S	S	.	.	H	α-helix	trans	-50.1	-43.4	173.4	-80.2	170.6	0	0	0	113.2	L53 R59 V60 Y61	L53-L57 HydrophobicContact CB-CD2 3.71Å; L53-L57 HydrophobicContact CB-CG 3.74Å; L53-L57 HydrophobicContact CD1-CD2 3.91Å; L53-L57 HydrophobicContact CG-CD2 4.5Å; L53-L57 PolarHBondContact O-N 3.42Å; L57-R59 VanDerWaalsContact C-N 3.29Å; L57-R59 PolarHBondContact O-N 3.3Å; L57-V60 PolarHBondContact O-N 3.09Å; L57-Y61 WeakPolarHBondContact O-CD2 3.43Å; L57-Y61 PolarHBondContact O-N 3.36Å
58	P	78.3	Confident	78.8	Confident	77 Å²	77	72.3 Å²	72.3	50%	0.5	35%	0.351	S	S	.	.	H	α-helix	trans	-62.2	-31.9	173.7	-23.5	35.4	0	0	0	113.9	H55 D56 Y61 N62	H55-P58 WeakPolarHBondContact O-CD 3.47Å; D56-P58 VanDerWaalsContact C-CD 3.47Å; D56-P58 VanDerWaalsContact C-N 3.32Å; P58-Y61 PolarHBondContact O-N 3.23Å; P58-N62 WeakPolarHBondContact O-CB 3.36Å; P58-N62 PolarHBondContact O-N 2.86Å
59	R	74.7	Confident	78.9	Confident	98 Å²	98	72.4 Å²	72.4	37%	0.37	35%	0.35	S	S	.	.	H	α-helix	trans	-67.1	-40.5	174.4	-71.9	175.4	167.6	162.4	-14.6	111.2	D56 L57 N62 E63 G145	D56-R59 WeakPolarHBondContact O-CA 3.36Å; D56-R59 VanDerWaalsContact O-CB 3.28Å; D56-R59 WeakPolarHBondContact O-CB 3.46Å; D56-R59 PolarHBondContact O-N 3.31Å; D56-R59 WeakPolarHBondContact OD1-CD 3.48Å; D56-R59 IonicContact OD1-CZ 3.89Å; D56-R59 IonicContact OD1-NE 3.64Å; D56-R59 IonicContact OD1-NH1 3.04Å; D56-R59 PolarHBondContact OD1-NH1 2.86Å; L57-R59 VanDerWaalsContact C-N 3.29Å; L57-R59 PolarHBondContact O-N 3.3Å; R59-N62 PolarHBondContact O-N 3.1Å; R59-E63 PolarHBondContact O-N 3.33Å; R59-G145 WeakPolarHBondContact CB-O 3.37Å
60	V	78.4	Confident	79.3	Confident	20 Å²	20	68.1 Å²	68.1	12%	0.121	33%	0.332	C	S	.	.	H	α-helix	trans	-66.6	-39.6	176.4	177.4	0	0	0	0	111.5	M48 L53 D56 L57 N62 E63 I64	M48-V60 HydrophobicContact CE-CG1 3.78Å; M48-V60 HydrophobicContact SD-CG1 4.28Å; M48-V60 HydrophobicContact SD-CG2 3.96Å; L53-V60 HydrophobicContact CD1-CG2 3.97Å; L53-V60 HydrophobicContact CD2-CG2 3.91Å; D56-V60 PolarHBondContact O-N 3.15Å; D56-V60 VanDerWaalsContact O-N 3.1Å; L57-V60 PolarHBondContact O-N 3.09Å; V60-N62 VanDerWaalsContact C-N 3.35Å; V60-E63 PolarHBondContact O-N 3.19Å; V60-I64 HydrophobicContact CG1-CD1 3.99Å; V60-I64 VanDerWaalsContact O-CG1 3.3Å; V60-I64 WeakPolarHBondContact O-CG1 3.44Å; V60-I64 PolarHBondContact O-N 2.64Å
61	Y	81.2	Confident	79.6	Confident	119 Å²	119	62.7 Å²	62.7	47%	0.467	31%	0.309	S	S	.	.	H	α-helix	trans	-64.7	-37.9	172.5	-68.4	-53.4	0	0	0	112.5	L57 P58 N65 I444	L57-Y61 WeakPolarHBondContact O-CD2 3.43Å; L57-Y61 PolarHBondContact O-N 3.36Å; P58-Y61 PolarHBondContact O-N 3.23Å; Y61-N65 VanDerWaalsContact O-CB 3.28Å; Y61-N65 WeakPolarHBondContact O-CB 3.42Å; Y61-N65 PolarHBondContact O-N 3.16Å; Y61-I444 HydrophobicContact CD1-CD1 3.99Å; Y61-I444 HydrophobicContact CE1-CD1 3.56Å
62	N	79.4	Confident	80.3	Confident	83 Å²	83	59.1 Å²	59.1	44%	0.444	28%	0.279	S	S	.	.	H	α-helix	trans	-66.2	-41.8	173.2	-75.5	-5.4	0	0	0	112.5	P58 R59 V60 N65 A66	P58-N62 WeakPolarHBondContact O-CB 3.36Å; P58-N62 PolarHBondContact O-N 2.86Å; R59-N62 PolarHBondContact O-N 3.1Å; V60-N62 VanDerWaalsContact C-N 3.35Å; N62-N65 PolarHBondContact O-N 3.43Å; N62-A66 VanDerWaalsContact O-CB 3.31Å; N62-A66 WeakPolarHBondContact O-CB 3.43Å; N62-A66 PolarHBondContact O-N 2.91Å
63	E	81.8	Confident	81.2	Confident	17 Å²	17	54.1 Å²	54.1	8%	0.079	26%	0.261	C	S	.	.	H	α-helix	trans	-58.8	-48.9	175.6	-171.2	-175.9	-178.8	0	0	110.9	K46 R59 V60 A66 L67 F144	K46-E63 IonicContact NZ-OE1 2.66Å; K46-E63 PolarHBondContact NZ-OE1 3.47Å; K46-E63 IonicContact NZ-OE2 3.85Å; K46-E63 PolarHBondContact NZ-OE2 3.36Å; R59-E63 PolarHBondContact O-N 3.33Å; V60-E63 PolarHBondContact O-N 3.19Å; E63-A66 PolarHBondContact O-N 2.87Å; E63-L67 HydrophobicContact CG-CD1 3.91Å; E63-L67 WeakPolarHBondContact O-CB 3.3Å; E63-L67 WeakPolarHBondContact O-CG 3.19Å; E63-L67 PolarHBondContact O-N 3.29Å; E63-F144 HydrophobicContact CG-CB 4.17Å
64	I	81.7	Confident	82.2	Confident	79 Å²	79	54.6 Å²	54.6	41%	0.405	26%	0.263	S	S	.	.	H	α-helix	trans	-59.9	-52.4	177.1	-67.5	165.4	0	0	0	109.7	V60 A66 L67 T68	V60-I64 HydrophobicContact CG1-CD1 3.99Å; V60-I64 VanDerWaalsContact O-CG1 3.3Å; V60-I64 WeakPolarHBondContact O-CG1 3.44Å; V60-I64 PolarHBondContact O-N 2.64Å; I64-A66 VanDerWaalsContact C-N 3.26Å; I64-A66 PolarHBondContact O-N 3.33Å; I64-L67 PolarHBondContact O-N 2.96Å; I64-L67 VanDerWaalsContact O-N 3.13Å; I64-T68 HydrophobicContact CG2-CG2 4.21Å; I64-T68 WeakPolarHBondContact O-CG2 3.42Å; I64-T68 PolarHBondContact O-N 3.13Å; I64-T68 PolarHBondContact O-OG1 3.47Å
65	N	83.2	Confident	82.9	Confident	58 Å²	58	47.4 Å²	47.4	31%	0.31	23%	0.232	S	C	.	.	H	α-helix	trans	-62.2	-30.4	-178.8	-174.8	43.5	0	0	0	113.5	Y61 N62 T68 H69	Y61-N65 VanDerWaalsContact O-CB 3.28Å; Y61-N65 WeakPolarHBondContact O-CB 3.42Å; Y61-N65 PolarHBondContact O-N 3.16Å; N62-N65 PolarHBondContact O-N 3.43Å; N65-T68 PolarHBondContact O-OG1 3.2Å; N65-H69 PolarHBondContact O-ND1 2.92Å; N65-H69 PolarHBondContact OD1-CE1 3.11Å
66	A	84.1	Confident	83.4	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-70.5	-50.3	171.7	0	0	0	0	0	110.9	N62 E63 I64 T68 H69 L70 F121 F144	N62-A66 VanDerWaalsContact O-CB 3.31Å; N62-A66 WeakPolarHBondContact O-CB 3.43Å; N62-A66 PolarHBondContact O-N 2.91Å; E63-A66 PolarHBondContact O-N 2.87Å; I64-A66 VanDerWaalsContact C-N 3.26Å; I64-A66 PolarHBondContact O-N 3.33Å; A66-T68 VanDerWaalsContact C-N 3.3Å; A66-T68 PolarHBondContact O-N 2.85Å; A66-H69 PolarHBondContact O-N 3.07Å; A66-L70 HydrophobicContact CB-CD1 3.98Å; A66-L70 VanDerWaalsContact O-CB 3.29Å; A66-L70 WeakPolarHBondContact O-CB 3.48Å; A66-L70 VanDerWaalsContact O-CG 3.27Å; A66-L70 WeakPolarHBondContact O-CG 3.31Å; A66-L70 PolarHBondContact O-N 3.28Å; A66-F121 HydrophobicContact CB-CD1 4.06Å; A66-F121 HydrophobicContact CB-CE1 3.7Å; A66-F121 HydrophobicContact CB-CZ 4.35Å; A66-F144 HydrophobicContact CB-CB 4.03Å; A66-F144 HydrophobicContact CB-CD1 4.37Å; A66-F144 HydrophobicContact CB-CG 4.39Å
67	L	82.8	Confident	83.6	Confident	24 Å²	24	40.1 Å²	40.1	13%	0.126	20%	0.198	C	C	.	.	H	α-helix	trans	-67.1	-24.1	-178.7	-70.5	173.5	0	0	0	114.1	E63 I64 H69 I75 L78 F144	E63-L67 HydrophobicContact CG-CD1 3.91Å; E63-L67 WeakPolarHBondContact O-CB 3.3Å; E63-L67 WeakPolarHBondContact O-CG 3.19Å; E63-L67 PolarHBondContact O-N 3.29Å; I64-L67 PolarHBondContact O-N 2.96Å; I64-L67 VanDerWaalsContact O-N 3.13Å; L67-H69 VanDerWaalsContact C-N 3.28Å; L67-I75 HydrophobicContact CD2-CG2 4.5Å; L67-L78 HydrophobicContact CB-CD1 4.21Å; L67-L78 HydrophobicContact CB-CD2 4.08Å; L67-L78 HydrophobicContact CB-CG 3.98Å; L67-L78 HydrophobicContact CD1-CD2 3.61Å; L67-L78 HydrophobicContact CD1-CG 4.22Å; L67-L78 HydrophobicContact CG-CD2 4.49Å; L67-F144 HydrophobicContact CD2-CD2 3.6Å; L67-F144 HydrophobicContact CD2-CE2 3.95Å; L67-F144 HydrophobicContact CD2-CG 4.42Å; L67-F144 HydrophobicContact CG-CD2 4.22Å
68	T	82.4	Confident	83.2	Confident	22 Å²	22	41.5 Å²	41.5	14%	0.135	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-6.8	172	59.6	0	0	0	0	114.3	I64 N65 A66 H71 L78 Y303	I64-T68 HydrophobicContact CG2-CG2 4.21Å; I64-T68 WeakPolarHBondContact O-CG2 3.42Å; I64-T68 PolarHBondContact O-N 3.13Å; I64-T68 PolarHBondContact O-OG1 3.47Å; N65-T68 PolarHBondContact O-OG1 3.2Å; A66-T68 VanDerWaalsContact C-N 3.3Å; A66-T68 PolarHBondContact O-N 2.85Å; T68-H71 PolarHBondContact O-NE2 2.72Å; T68-L78 HydrophobicContact CG2-CD1 4.5Å; T68-Y303 WeakPolarHBondContact CA-OH 3.41Å; T68-Y303 HydrophobicContact CG2-CD1 4.37Å; T68-Y303 HydrophobicContact CG2-CD2 3.5Å; T68-Y303 VanDerWaalsContact CG2-CD2 3.5Å; T68-Y303 HydrophobicContact CG2-CE1 4.19Å; T68-Y303 HydrophobicContact CG2-CE2 3.31Å; T68-Y303 HydrophobicContact CG2-CG 4.05Å; T68-Y303 PolarHBondContact O-OH 3.3Å
69	H	83.4	Confident	82.6	Confident	59 Å²	59	38.7 Å²	38.7	27%	0.273	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.8	-35.1	175.4	-73.6	84.8	0	0	0	112.9	N65 A66 L67 H71 F121 R439	N65-H69 PolarHBondContact O-ND1 2.92Å; N65-H69 PolarHBondContact OD1-CE1 3.11Å; A66-H69 PolarHBondContact O-N 3.07Å; L67-H69 VanDerWaalsContact C-N 3.28Å; H69-H71 VanDerWaalsContact C-N 3.32Å; H69-H71 PolarHBondContact O-N 3.24Å; H69-F121 HydrophobicContact CB-CE2 4.36Å; H69-F121 HydrophobicContact CB-CZ 4.42Å; H69-R439 PolarHBondContact CD2-NH1 3.41Å; H69-R439 VanDerWaalsContact CD2-NH1 3.28Å; H69-R439 PolarHBondContact NE2-NH1 2.93Å
70	L	88	Confident	82.6	Confident	4 Å²	4	35.1 Å²	35.1	2%	0.021	17%	0.172	C	C	.	.			trans	-86.8	59.8	-168.6	-67.5	172.6	0	0	0	113.5	A66 H72 I75 F115 V116 N119 F121 F144	A66-L70 HydrophobicContact CB-CD1 3.98Å; A66-L70 VanDerWaalsContact O-CB 3.29Å; A66-L70 WeakPolarHBondContact O-CB 3.48Å; A66-L70 VanDerWaalsContact O-CG 3.27Å; A66-L70 WeakPolarHBondContact O-CG 3.31Å; A66-L70 PolarHBondContact O-N 3.28Å; L70-H72 PolarHBondContact O-N 3.25Å; L70-I75 HydrophobicContact CB-CD1 4.06Å; L70-F115 HydrophobicContact CB-CE1 4.49Å; L70-F115 HydrophobicContact CD2-CD1 4.24Å; L70-F115 HydrophobicContact CD2-CE1 4.03Å; L70-V116 HydrophobicContact CD1-CG1 4.5Å; L70-V116 HydrophobicContact CD1-CG2 4.27Å; L70-V116 HydrophobicContact CD2-CG2 4.33Å; L70-N119 HydrophobicContact CD2-CB 3.71Å; L70-F121 HydrophobicContact CD1-CB 4.43Å; L70-F121 HydrophobicContact CD1-CD1 4.48Å; L70-F121 HydrophobicContact CD1-CD2 4.21Å; L70-F121 HydrophobicContact CD1-CG 4.17Å; L70-F121 HydrophobicContact CD2-CD2 3.88Å; L70-F121 HydrophobicContact CD2-CE2 4.24Å; L70-F121 HydrophobicContact CG-CD2 4.21Å; L70-F121 HydrophobicContact CG-CE2 4.28Å; L70-F144 HydrophobicContact CD1-CD1 3.74Å; L70-F144 HydrophobicContact CD1-CE1 3.52Å; L70-F144 HydrophobicContact CD1-CZ 4.24Å
71	H	87	Confident	82.5	Confident	29 Å²	29	37.9 Å²	37.9	13%	0.134	18%	0.181	C	C	.	.			trans	-77.2	106.9	173.7	-54.8	-61.1	0	0	0	111.2	T68 H69 F115 S268 Y270 Y303	T68-H71 PolarHBondContact O-NE2 2.72Å; H69-H71 VanDerWaalsContact C-N 3.32Å; H69-H71 PolarHBondContact O-N 3.24Å; H71-F115 VanDerWaalsContact O-CZ 3.25Å; H71-F115 WeakPolarHBondContact O-CZ 3.45Å; H71-S268 WeakPolarHBondContact O-CB 3.31Å; H71-S268 PolarHBondContact O-OG 2.81Å; H71-Y270 HydrophobicContact CB-CD2 4.49Å; H71-Y303 PolarHBondContact CE1-OH 3.14Å; H71-Y303 PolarHBondContact NE2-OH 3.31Å
72	H	91.4	Very high	82.5	Confident	1 Å²	1	32.8 Å²	32.8	1%	0.005	16%	0.163	C	C	.	.			trans	-146.9	150.6	175.9	175.9	-104.4	0	0	0	111	L70 N74 I75 A112 F115 W266	L70-H72 PolarHBondContact O-N 3.25Å; H72-N74 VanDerWaalsContact C-N 3.25Å; H72-N74 PolarHBondContact ND1-N 3.45Å; H72-N74 VanDerWaalsContact ND1-N 3.16Å; H72-N74 PolarHBondContact O-N 3.28Å; H72-I75 HydrophobicContact CB-CB 4.2Å; H72-I75 HydrophobicContact CB-CD1 3.8Å; H72-I75 HydrophobicContact CB-CG1 3.91Å; H72-I75 PolarHBondContact O-N 3.28Å; H72-A112 PolarHBondContact CE1-N 3.48Å; H72-F115 HydrophobicContact CB-CD1 3.6Å; H72-F115 HydrophobicContact CB-CE1 3.79Å; H72-F115 HydrophobicContact CB-CG 4.01Å; H72-F115 HydrophobicContact CB-CZ 4.38Å; H72-F115 AromaticContact CD2-CG 3.93Å; H72-W266 PolarHBondContact CD2-O 2.92Å; H72-W266 PolarHBondContact NE2-O 3.28Å
73	Q	91.5	Very high	82.4	Confident	31 Å²	31	31.2 Å²	31.2	15%	0.145	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-36.8	-177.2	51.2	-84	12.8	0	0	113.6	K140 Q267 L269 Y270	Q73-K140 WeakPolarHBondContact O-CE 3.47Å; Q73-K140 PolarHBondContact O-NZ 2.94Å; Q73-Q267 PolarHBondContact NE2-O 2.79Å; Q73-L269 HydrophobicContact CB-CD1 4.21Å; Q73-L269 HydrophobicContact CG-CD1 4.18Å; Q73-L269 HydrophobicContact CG-CG 4.39Å; Q73-Y270 HydrophobicContact CB-CE2 4.44Å
74	N	94.3	Very high	82.2	Confident	16 Å²	16	32.2 Å²	32.2	9%	0.086	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	17.3	178.6	-61.3	111.4	0	0	0	114.4	H72 Q108 A112 L139 L141	H72-N74 VanDerWaalsContact C-N 3.25Å; H72-N74 PolarHBondContact ND1-N 3.45Å; H72-N74 VanDerWaalsContact ND1-N 3.16Å; H72-N74 PolarHBondContact O-N 3.28Å; N74-Q108 HydrophobicContact CB-CB 4.46Å; N74-Q108 PolarHBondContact ND2-OE1 2.94Å; N74-A112 HydrophobicContact CB-CB 4.07Å; N74-L139 VanDerWaalsContact CA-O 3.24Å; N74-L139 WeakPolarHBondContact CA-O 3.34Å; N74-L139 HydrophobicContact CB-CD2 4.34Å; N74-L139 WeakPolarHBondContact CB-O 3.41Å; N74-L139 PolarHBondContact ND2-O 3.4Å; N74-L141 PolarHBondContact O-N 3.02Å
75	I	91.7	Very high	82.2	Confident	3 Å²	3	30 Å²	30	2%	0.015	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-109.3	134	167.8	-64	177.8	0	0	0	107.5	L67 L70 H72 R77 A112 F115 V116 L141 F144	L67-I75 HydrophobicContact CD2-CG2 4.5Å; L70-I75 HydrophobicContact CB-CD1 4.06Å; H72-I75 HydrophobicContact CB-CB 4.2Å; H72-I75 HydrophobicContact CB-CD1 3.8Å; H72-I75 HydrophobicContact CB-CG1 3.91Å; H72-I75 PolarHBondContact O-N 3.28Å; I75-R77 PolarHBondContact O-N 3.45Å; I75-A112 HydrophobicContact CG1-CB 4.28Å; I75-F115 HydrophobicContact CD1-CD1 3.96Å; I75-F115 HydrophobicContact CD1-CE1 4.47Å; I75-V116 HydrophobicContact CD1-CG2 3.65Å; I75-L141 HydrophobicContact CG1-CB 4.45Å; I75-F144 HydrophobicContact CD1-CZ 4.19Å; I75-F144 HydrophobicContact CG1-CZ 4.4Å; I75-F144 HydrophobicContact CG2-CE2 3.74Å; I75-F144 HydrophobicContact CG2-CZ 3.85Å
76	C	85.6	Confident	82.2	Confident	17 Å²	17	29.1 Å²	29.1	12%	0.115	16%	0.164	C	C	.	.			trans	-67.7	127	177.9	-168.7	0	0	0	0	110.3	K140 L141 I142	C76-K140 HydrophobicContact CB-CB 4.17Å; C76-L141 WeakPolarHBondContact CB-O 3.45Å; C76-L141 PolarHBondContact N-O 2.83Å; C76-I142 HydrophobicContact CB-CG2 3.36Å
77	R	77.4	Confident	82.4	Confident	31 Å²	31	29.1 Å²	29.1	12%	0.117	16%	0.164	C	C	.	.			trans	-77.7	155.2	174.4	-58.7	176.5	167.7	-177	-9.7	110.3	I75 Y79 E80	I75-R77 PolarHBondContact O-N 3.45Å; R77-Y79 HydrophobicContact CB-CD1 4.18Å; R77-Y79 HydrophobicContact CB-CE1 3.79Å; R77-Y79 WeakPolarHBondContact CD-OH 3.47Å; R77-Y79 PolarHBondContact NH1-OH 3.37Å; R77-Y79 PolarHBondContact O-N 3.04Å; R77-E80 HydrophobicContact CB-CB 4.09Å; R77-E80 PolarHBondContact N-OE2 3.43Å; R77-E80 PolarHBondContact O-N 2.99Å
78	L	68.5	Low	82.3	Confident	83 Å²	83	28 Å²	28	44%	0.435	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-14.1	-178.1	-78.8	162	0	0	0	116.6	L67 T68 Y303	L67-L78 HydrophobicContact CB-CD1 4.21Å; L67-L78 HydrophobicContact CB-CD2 4.08Å; L67-L78 HydrophobicContact CB-CG 3.98Å; L67-L78 HydrophobicContact CD1-CD2 3.61Å; L67-L78 HydrophobicContact CD1-CG 4.22Å; L67-L78 HydrophobicContact CG-CD2 4.49Å; T68-L78 HydrophobicContact CG2-CD1 4.5Å; L78-Y303 HydrophobicContact CD1-CD1 3.79Å; L78-Y303 HydrophobicContact CD1-CE1 4Å
79	Y	66.5	Low	82.1	Confident	19 Å²	19	29.3 Å²	29.3	8%	0.075	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.4	-6	-179.6	59.1	-93.5	0	0	0	113.7	V43 A44 R77 Y81 L311 I312 M315	V43-Y79 VanDerWaalsContact CA-O 3.3Å; V43-Y79 WeakPolarHBondContact CA-O 3.39Å; V43-Y79 WeakPolarHBondContact CB-O 3.48Å; V43-Y79 WeakPolarHBondContact CG1-O 3.49Å; A44-Y79 PolarHBondContact N-O 3.07Å; R77-Y79 HydrophobicContact CB-CD1 4.18Å; R77-Y79 HydrophobicContact CB-CE1 3.79Å; R77-Y79 WeakPolarHBondContact CD-OH 3.47Å; R77-Y79 PolarHBondContact NH1-OH 3.37Å; R77-Y79 PolarHBondContact O-N 3.04Å; Y79-Y81 PolarHBondContact O-N 2.88Å; Y79-L311 HydrophobicContact CD1-CB 4.4Å; Y79-L311 HydrophobicContact CE1-CB 3.55Å; Y79-L311 HydrophobicContact CE1-CD1 3.99Å; Y79-L311 HydrophobicContact CE1-CG 4.31Å; Y79-L311 PolarHBondContact OH-O 2.92Å; Y79-L311 VanDerWaalsContact OH-O 3.06Å; Y79-I312 HydrophobicContact CD2-CG1 3.87Å; Y79-I312 HydrophobicContact CE2-CG1 4.18Å; Y79-I312 HydrophobicContact CG-CG1 4.26Å; Y79-M315 HydrophobicContact CE2-CB 4.44Å; Y79-M315 HydrophobicContact CE2-CE 4.48Å; Y79-M315 HydrophobicContact CE2-SD 3.89Å
80	E	75.3	Confident	82.1	Confident	23 Å²	23	28.1 Å²	28.1	11%	0.107	16%	0.157	C	C	.	.	B	Isolated β-bridge	trans	-77.9	120	-165.4	-175.9	165.9	-148	0	0	111.9	R77 K140	R77-E80 HydrophobicContact CB-CB 4.09Å; R77-E80 PolarHBondContact N-OE2 3.43Å; R77-E80 PolarHBondContact O-N 2.99Å; E80-K140 VanDerWaalsContact CD-CE 3.46Å; E80-K140 WeakPolarHBondContact OE1-CE 3.46Å; E80-K140 IonicContact OE1-NZ 3.88Å; E80-K140 PolarHBondContact OE1-NZ 2.92Å; E80-K140 WeakPolarHBondContact OE2-CE 3.45Å; E80-K140 IonicContact OE2-NZ 3.74Å; E80-K140 PolarHBondContact OE2-NZ 3.34Å
81	Y	76.1	Confident	82	Confident	77 Å²	77	28 Å²	28	30%	0.302	16%	0.156	S	C	.	.			trans	-88	116.8	176.3	178.5	-115	0	0	0	110.9	I23 R33 N42 A44 Y79	I23-Y81 HydrophobicContact CD1-CD2 3.81Å; I23-Y81 HydrophobicContact CD1-CE2 3.59Å; I23-Y81 HydrophobicContact CG2-CE2 4.48Å; R33-Y81 HydrophobicContact CG-CE2 4.42Å; N42-Y81 HydrophobicContact CB-CD1 4.14Å; A44-Y81 HydrophobicContact CB-CD2 4.5Å; Y79-Y81 PolarHBondContact O-N 2.88Å
82	C	79.9	Confident	81.6	Confident	13 Å²	13	27.8 Å²	27.8	9%	0.088	16%	0.157	C	C	.	.			trans	-96.6	94.2	-180	-61.8	0	0	0	0	110.1	G84 L132 L133	C82-G84 VanDerWaalsContact C-N 3.32Å; C82-G84 PolarHBondContact O-N 3.25Å; C82-L132 HydrophobicContact CB-CB 3.66Å; C82-L132 HydrophobicContact CB-CD1 3.83Å; C82-L132 HydrophobicContact CB-CG 4.41Å; C82-L133 CarbonylContact C-O 3.58Å; C82-L133 WeakPolarHBondContact CB-O 3.25Å
83	S	78.7	Confident	80.9	Confident	49 Å²	49	31.7 Å²	31.7	34%	0.343	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-18.2	-175.2	43.1	0	0	0	0	115	G85 E135	S83-G85 VanDerWaalsContact C-N 3.32Å; S83-G85 PolarHBondContact O-N 3.37Å; S83-E135 WeakPolarHBondContact OG-CB 3.44Å; S83-E135 PolarHBondContact OG-N 3.34Å; S83-E135 PolarHBondContact OG-OE2 2.86Å
84	G	77.8	Confident	80.5	Confident	38 Å²	38	34.5 Å²	34.5	39%	0.392	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-6.5	-177.9	0	0	0	0	0	115.4	C82 L133	C82-G84 VanDerWaalsContact C-N 3.32Å; C82-G84 PolarHBondContact O-N 3.25Å; G84-L133 VanDerWaalsContact CA-O 3.23Å; G84-L133 WeakPolarHBondContact CA-O 3.5Å; G84-L133 PolarHBondContact N-O 3.49Å
85	G	81.2	Confident	80	Confident	32 Å²	32	38.5 Å²	38.5	33%	0.33	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	81.9	-160	179.2	0	0	0	0	0	114.2	S83 L132 L133	S83-G85 VanDerWaalsContact C-N 3.32Å; S83-G85 PolarHBondContact O-N 3.37Å; G85-L132 CarbonylContact O-C 3.59Å; G85-L132 VanDerWaalsContact O-CA 3.29Å; G85-L132 WeakPolarHBondContact O-CA 3.31Å; G85-L133 PolarHBondContact O-N 3.44Å
86	E	83.6	Confident	79.9	Confident	41 Å²	41	38.9 Å²	38.9	19%	0.192	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	142.5	175.1	-69.8	171.9	-137.5	0	0	111.3	F88 D89 Y90 L132 R624 S629	E86-F88 HydrophobicContact CB-CB 4.43Å; E86-F88 PolarHBondContact O-N 2.87Å; E86-D89 PolarHBondContact O-N 3.25Å; E86-D89 VanDerWaalsContact O-N 3.14Å; E86-Y90 PolarHBondContact O-N 3.16Å; E86-L132 HydrophobicContact CG-CD2 3.91Å; E86-R624 IonicContact OE1-CZ 3.64Å; E86-R624 IonicContact OE1-NH1 3.71Å; E86-R624 PolarHBondContact OE1-NH1 3.15Å; E86-R624 IonicContact OE1-NH2 3.35Å; E86-R624 PolarHBondContact OE1-NH2 2.67Å; E86-R624 IonicContact OE2-CZ 3.88Å; E86-R624 IonicContact OE2-NH1 3.19Å; E86-R624 IonicContact OE2-NH2 3.61Å; E86-R624 PolarHBondContact OE2-NH2 2.67Å; E86-S629 PolarHBondContact OE2-OG 2.79Å
87	L	86.6	Confident	80.3	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-57.3	-29.4	168.9	179.3	65.3	0	0	0	111.4	Y90 I91 F105 I109 L131 L133 L139 L195	L87-Y90 WeakPolarHBondContact O-CB 3.36Å; L87-Y90 PolarHBondContact O-N 2.7Å; L87-I91 HydrophobicContact CG-CD1 4.23Å; L87-I91 WeakPolarHBondContact O-CG1 3.38Å; L87-I91 PolarHBondContact O-N 3.49Å; L87-F105 HydrophobicContact CD1-CB 4.45Å; L87-F105 HydrophobicContact CD1-CD1 3.91Å; L87-F105 HydrophobicContact CD1-CD2 4.21Å; L87-F105 HydrophobicContact CD1-CE1 4.2Å; L87-F105 HydrophobicContact CD1-CE2 4.46Å; L87-F105 HydrophobicContact CD1-CG 3.93Å; L87-F105 HydrophobicContact CD1-CZ 4.46Å; L87-I109 HydrophobicContact CD2-CD1 4.42Å; L87-L131 HydrophobicContact CB-CB 3.94Å; L87-L131 VanDerWaalsContact CB-O 3.26Å; L87-L131 WeakPolarHBondContact CB-O 3.45Å; L87-L131 HydrophobicContact CD2-CB 3.94Å; L87-L131 HydrophobicContact CD2-CD1 3.78Å; L87-L131 HydrophobicContact CD2-CG 4.49Å; L87-L131 PolarHBondContact N-O 2.82Å; L87-L133 HydrophobicContact CD1-CD1 4.39Å; L87-L133 HydrophobicContact CD1-CD2 4.26Å; L87-L139 HydrophobicContact CD2-CD1 3.87Å; L87-L195 HydrophobicContact CD1-CD2 4.23Å; L87-L195 HydrophobicContact CD2-CD2 4.22Å; L87-L195 HydrophobicContact CG-CD2 4.37Å
88	F	81.3	Confident	81.1	Confident	1 Å²	1	43.6 Å²	43.6	0%	0.004	24%	0.238	C	C	.	.	H	α-helix	trans	-62	-47.7	174.4	-164.2	-92.9	0	0	0	113	E86 Y90 I91 V92 P128 S629 W630 K633	E86-F88 HydrophobicContact CB-CB 4.43Å; E86-F88 PolarHBondContact O-N 2.87Å; F88-Y90 PolarHBondContact O-N 2.88Å; F88-I91 PolarHBondContact O-N 2.77Å; F88-V92 HydrophobicContact CD1-CG2 3.37Å; F88-V92 HydrophobicContact CE1-CB 4.5Å; F88-V92 HydrophobicContact CE1-CG2 3.02Å; F88-V92 HydrophobicContact CG-CG2 4.4Å; F88-V92 HydrophobicContact CZ-CG2 3.78Å; F88-V92 WeakPolarHBondContact O-CG2 3.1Å; F88-V92 PolarHBondContact O-N 2.69Å; F88-P128 HydrophobicContact CB-CB 3.62Å; F88-P128 HydrophobicContact CD2-CB 3.54Å; F88-P128 HydrophobicContact CD2-CG 3.88Å; F88-P128 HydrophobicContact CG-CB 4.07Å; F88-S629 WeakPolarHBondContact CD1-OG 3.43Å; F88-S629 WeakPolarHBondContact CE1-O 3.24Å; F88-S629 VanDerWaalsContact CG-CB 3.45Å; F88-S629 WeakPolarHBondContact CG-OG 3.47Å; F88-W630 AromaticContact CE2-CD2 3.87Å; F88-W630 HydrophobicContact CE2-CD2 3.87Å; F88-W630 AromaticContact CE2-CE2 3.45Å; F88-W630 VanDerWaalsContact CE2-CE2 3.45Å; F88-W630 HydrophobicContact CE2-CE3 4.32Å; F88-W630 HydrophobicContact CE2-CG 4.35Å; F88-W630 AromaticContact CE2-CH2 3.99Å; F88-W630 HydrophobicContact CE2-CH2 3.99Å; F88-W630 AromaticContact CE2-CZ2 3.55Å; F88-W630 HydrophobicContact CE2-CZ2 3.55Å; F88-W630 HydrophobicContact CE2-CZ3 4.37Å; F88-W630 AromaticContact CE2-NE1 3.75Å; F88-W630 AromaticContact CZ-CD2 3.7Å; F88-W630 HydrophobicContact CZ-CD2 3.7Å; F88-W630 AromaticContact CZ-CE2 3.81Å; F88-W630 AromaticContact CZ-CE3 3.88Å; F88-W630 HydrophobicContact CZ-CE3 3.88Å; F88-W630 HydrophobicContact CZ-CG 4.14Å; F88-W630 HydrophobicContact CZ-CH2 4.18Å; F88-W630 HydrophobicContact CZ-CZ2 4.08Å; F88-W630 HydrophobicContact CZ-CZ3 4.1Å; F88-K633 HydrophobicContact CE1-CB 4.49Å
89	D	78.4	Confident	82.4	Confident	48 Å²	48	41.1 Å²	41.1	26%	0.257	22%	0.224	S	C	.	.	H	α-helix	trans	-61.5	-27.9	179.2	-68.5	-47.1	0	0	0	110.4	E86 K93 R624	E86-D89 PolarHBondContact O-N 3.25Å; E86-D89 VanDerWaalsContact O-N 3.14Å; D89-K93 WeakPolarHBondContact O-CB 3.46Å; D89-K93 PolarHBondContact O-N 2.86Å; D89-R624 VanDerWaalsContact CG-NH2 3.32Å; D89-R624 IonicContact OD1-CZ 3.42Å; D89-R624 IonicContact OD1-NE 3.44Å; D89-R624 PolarHBondContact OD1-NE 2.98Å; D89-R624 IonicContact OD1-NH2 3.36Å; D89-R624 PolarHBondContact OD1-NH2 3.13Å; D89-R624 VanDerWaalsContact OD1-NH2 3.17Å; D89-R624 IonicContact OD2-CZ 2.65Å; D89-R624 IonicContact OD2-NH2 2.7Å; D89-R624 PolarHBondContact OD2-NH2 3.46Å
90	Y	84.2	Confident	83.8	Confident	34 Å²	34	43.6 Å²	43.6	13%	0.133	24%	0.242	C	C	.	.	H	α-helix	trans	-69.5	-42.3	170.5	-163.2	-81.5	0	0	0	113.1	E86 L87 F88 K93 K94 L97 E101 F105 L133 L137	E86-Y90 PolarHBondContact O-N 3.16Å; L87-Y90 WeakPolarHBondContact O-CB 3.36Å; L87-Y90 PolarHBondContact O-N 2.7Å; F88-Y90 PolarHBondContact O-N 2.88Å; Y90-K93 PolarHBondContact O-N 3.01Å; Y90-K94 HydrophobicContact CD1-CG 4.36Å; Y90-K94 HydrophobicContact CE1-CG 4.06Å; Y90-K94 PolarHBondContact O-N 3.25Å; Y90-L97 HydrophobicContact CD1-CD1 4.45Å; Y90-L97 HydrophobicContact CD1-CD2 3.92Å; Y90-L97 HydrophobicContact CE1-CD1 4.5Å; Y90-L97 HydrophobicContact CE1-CD2 3.71Å; Y90-E101 WeakPolarHBondContact CE1-OE1 3.12Å; Y90-E101 PolarHBondContact OH-OE1 2.86Å; Y90-F105 HydrophobicContact CD1-CE2 4.26Å; Y90-F105 HydrophobicContact CD1-CZ 4.43Å; Y90-F105 AromaticContact CE1-CE2 3.96Å; Y90-F105 HydrophobicContact CE1-CE2 3.96Å; Y90-F105 HydrophobicContact CE1-CZ 4.19Å; Y90-L133 HydrophobicContact CD2-CD1 3.99Å; Y90-L133 HydrophobicContact CG-CD1 4.18Å; Y90-L137 HydrophobicContact CD2-CD2 4.3Å; Y90-L137 HydrophobicContact CE2-CD1 4.11Å; Y90-L137 HydrophobicContact CE2-CD2 3.99Å
91	I	85.2	Confident	84.7	Confident	2 Å²	2	44.6 Å²	44.6	1%	0.01	25%	0.247	C	C	.	.	H	α-helix	trans	-65.8	-46.9	177.7	-64.2	165.4	0	0	0	111	L87 F88 K93 K94 D95 G96 T194 L195	L87-I91 HydrophobicContact CG-CD1 4.23Å; L87-I91 WeakPolarHBondContact O-CG1 3.38Å; L87-I91 PolarHBondContact O-N 3.49Å; F88-I91 PolarHBondContact O-N 2.77Å; I91-K93 VanDerWaalsContact C-N 3.28Å; I91-K93 PolarHBondContact O-N 3.3Å; I91-K94 PolarHBondContact O-N 3Å; I91-D95 WeakPolarHBondContact O-CA 3.46Å; I91-D95 PolarHBondContact O-N 3.32Å; I91-G96 PolarHBondContact O-N 2.99Å; I91-G96 VanDerWaalsContact O-N 3.13Å; I91-T194 HydrophobicContact CD1-CG2 4.16Å; I91-T194 HydrophobicContact CG2-CG2 4.45Å; I91-L195 HydrophobicContact CD1-CD2 3.61Å; I91-L195 HydrophobicContact CD1-CG 3.98Å; I91-L195 HydrophobicContact CG1-CD2 3.89Å
92	V	77.9	Confident	85.6	Confident	25 Å²	25	40.9 Å²	40.9	15%	0.152	23%	0.232	C	C	.	.	H	α-helix	trans	-59.8	-41.6	176.9	177.6	0	0	0	0	111.4	F88 K94 D95 K633	F88-V92 HydrophobicContact CD1-CG2 3.37Å; F88-V92 HydrophobicContact CE1-CB 4.5Å; F88-V92 HydrophobicContact CE1-CG2 3.02Å; F88-V92 HydrophobicContact CG-CG2 4.4Å; F88-V92 HydrophobicContact CZ-CG2 3.78Å; F88-V92 WeakPolarHBondContact O-CG2 3.1Å; F88-V92 PolarHBondContact O-N 2.69Å; V92-K94 PolarHBondContact O-N 2.89Å; V92-D95 PolarHBondContact O-N 3.27Å; V92-K633 HydrophobicContact CG1-CB 4.42Å; V92-K633 HydrophobicContact CG1-CD 4.48Å; V92-K633 HydrophobicContact CG1-CG 4.45Å; V92-K633 HydrophobicContact CG2-CB 4.15Å; V92-K633 HydrophobicContact CG2-CD 4.21Å
93	K	77.2	Confident	86.4	Confident	82 Å²	82	40.5 Å²	40.5	36%	0.357	23%	0.229	S	C	.	.	H	α-helix	trans	-63.6	-27.4	-179.4	173.2	-178	177.8	-167	0	113.3	D89 Y90 I91 T555 N556	D89-K93 WeakPolarHBondContact O-CB 3.46Å; D89-K93 PolarHBondContact O-N 2.86Å; Y90-K93 PolarHBondContact O-N 3.01Å; I91-K93 VanDerWaalsContact C-N 3.28Å; I91-K93 PolarHBondContact O-N 3.3Å; K93-T555 VanDerWaalsContact CG-CB 3.5Å; K93-T555 HydrophobicContact CG-CG2 4.46Å; K93-T555 PolarHBondContact O-OG1 3.16Å; K93-N556 VanDerWaalsContact CG-OD1 3.32Å; K93-N556 WeakPolarHBondContact CG-OD1 3.47Å
94	K	84	Confident	87.2	Confident	90 Å²	90	42.5 Å²	42.5	39%	0.391	24%	0.235	S	C	.	.	H	α-helix	trans	-102.6	-12.5	178.6	-69.9	-70.5	-156.1	90.6	0	114.2	Y90 I91 V92 G96 L97 E101	Y90-K94 HydrophobicContact CD1-CG 4.36Å; Y90-K94 HydrophobicContact CE1-CG 4.06Å; Y90-K94 PolarHBondContact O-N 3.25Å; I91-K94 PolarHBondContact O-N 3Å; V92-K94 PolarHBondContact O-N 2.89Å; K94-G96 CarbonylContact C-O 3.57Å; K94-G96 WeakPolarHBondContact CB-O 3.2Å; K94-L97 HydrophobicContact CB-CD2 3.69Å; K94-L97 HydrophobicContact CG-CD2 3.69Å; K94-E101 IonicContact NZ-OE1 2.73Å; K94-E101 PolarHBondContact NZ-OE1 2.86Å; K94-E101 IonicContact NZ-OE2 2.72Å; K94-E101 PolarHBondContact NZ-OE2 2.93Å
95	D	83.8	Confident	88.1	Confident	100 Å²	100	41.1 Å²	41.1	54%	0.535	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	41.4	-166.9	-156.4	26.4	0	0	0	115.1	I91 V92 K633	I91-D95 WeakPolarHBondContact O-CA 3.46Å; I91-D95 PolarHBondContact O-N 3.32Å; V92-D95 PolarHBondContact O-N 3.27Å; D95-K633 IonicContact OD1-NZ 2.72Å; D95-K633 PolarHBondContact OD1-NZ 2.85Å
96	G	88.7	Confident	88.8	Confident	12 Å²	12	39.6 Å²	39.6	12%	0.124	20%	0.203	C	C	.	.	S	Bend	trans	97.9	169.1	-167.9	0	0	0	0	0	112.3	I91 K94 L195	I91-G96 PolarHBondContact O-N 2.99Å; I91-G96 VanDerWaalsContact O-N 3.13Å; K94-G96 CarbonylContact C-O 3.57Å; K94-G96 WeakPolarHBondContact CB-O 3.2Å; G96-L195 CarbonylContact C-O 3.53Å
97	L	93	Very high	89.5	Confident	8 Å²	8	38.3 Å²	38.3	4%	0.042	20%	0.197	C	C	.	.			trans	-127.4	143.1	-169.9	-55.3	180	0	0	0	111	Y90 K94 E101 A102 F105 L195	Y90-L97 HydrophobicContact CD1-CD1 4.45Å; Y90-L97 HydrophobicContact CD1-CD2 3.92Å; Y90-L97 HydrophobicContact CE1-CD1 4.5Å; Y90-L97 HydrophobicContact CE1-CD2 3.71Å; K94-L97 HydrophobicContact CB-CD2 3.69Å; K94-L97 HydrophobicContact CG-CD2 3.69Å; L97-E101 HydrophobicContact CB-CB 4.5Å; L97-E101 HydrophobicContact CD1-CG 4.42Å; L97-E101 HydrophobicContact CD2-CG 4.4Å; L97-A102 HydrophobicContact CB-CB 4.13Å; L97-F105 HydrophobicContact CD1-CD2 3.81Å; L97-F105 HydrophobicContact CD1-CE2 3.99Å; L97-L195 WeakPolarHBondContact CB-O 3.36Å; L97-L195 HydrophobicContact CD1-CD2 3.64Å; L97-L195 WeakPolarHBondContact CG-O 3.28Å; L97-L195 PolarHBondContact N-O 2.9Å
98	L	94.7	Very high	89.9	Confident	138 Å²	138	39.5 Å²	39.5	72%	0.723	20%	0.202	S	C	*	.			trans	-62.7	148.2	170.9	-60.4	178.3	0	0	0	110.3	P100 E101 A102	L98-P100 VanDerWaalsContact C-CD 3.42Å; L98-P100 VanDerWaalsContact C-N 3.34Å; L98-P100 VanDerWaalsContact O-N 3.13Å; L98-E101 PolarHBondContact O-N 2.87Å; L98-A102 PolarHBondContact O-N 3.11Å
99	E	95.9	Very high	90.7	Very high	31 Å²	31	39.6 Å²	39.6	15%	0.145	20%	0.203	C	C	.	.	H	α-helix	trans	-49.2	-42.6	-175	-71.7	-165.5	-166.8	0	0	115.1	R103 L196 S226 V229 W255	E99-R103 VanDerWaalsContact O-CB 3.3Å; E99-R103 WeakPolarHBondContact O-CB 3.25Å; E99-R103 PolarHBondContact O-N 2.84Å; E99-L196 HydrophobicContact CB-CD2 4.46Å; E99-L196 HydrophobicContact CG-CD2 3.97Å; E99-S226 VanDerWaalsContact CD-OG 3.28Å; E99-S226 WeakPolarHBondContact OE1-CB 3.3Å; E99-S226 PolarHBondContact OE1-N 3.18Å; E99-S226 PolarHBondContact OE1-OG 2.85Å; E99-S226 PolarHBondContact OE2-OG 2.66Å; E99-S226 VanDerWaalsContact OE2-OG 3.09Å; E99-V229 HydrophobicContact CG-CG2 3.95Å; E99-V229 WeakPolarHBondContact OE1-CG2 3.3Å; E99-V229 WeakPolarHBondContact OE2-CG2 3.49Å; E99-W255 HydrophobicContact CB-CZ2 4.23Å; E99-W255 WeakPolarHBondContact O-CZ2 3.48Å; E99-W255 PolarHBondContact OE2-NE1 3.3Å
100	P	95.7	Very high	91.6	Very high	71 Å²	71	37.3 Å²	37.3	46%	0.461	19%	0.19	S	C	.	.	H	α-helix	trans	-63.8	-43.7	178.6	-21.8	34.7	0	0	0	112.6	L98 R103 L104	L98-P100 VanDerWaalsContact C-CD 3.42Å; L98-P100 VanDerWaalsContact C-N 3.34Å; L98-P100 VanDerWaalsContact O-N 3.13Å; P100-R103 WeakPolarHBondContact O-CB 3.33Å; P100-R103 PolarHBondContact O-N 2.91Å; P100-L104 WeakPolarHBondContact O-CG 3.46Å; P100-L104 PolarHBondContact O-N 2.72Å
101	E	94.6	Very high	92.2	Very high	44 Å²	44	35.9 Å²	35.9	21%	0.206	19%	0.185	C	C	.	.	H	α-helix	trans	-66.7	-45.1	178.9	-174.2	175.4	-155.7	0	0	110.7	Y90 K94 L97 L98 R103 L104 F105	Y90-E101 WeakPolarHBondContact CE1-OE1 3.12Å; Y90-E101 PolarHBondContact OH-OE1 2.86Å; K94-E101 IonicContact NZ-OE1 2.73Å; K94-E101 PolarHBondContact NZ-OE1 2.86Å; K94-E101 IonicContact NZ-OE2 2.72Å; K94-E101 PolarHBondContact NZ-OE2 2.93Å; L97-E101 HydrophobicContact CB-CB 4.5Å; L97-E101 HydrophobicContact CD1-CG 4.42Å; L97-E101 HydrophobicContact CD2-CG 4.4Å; L98-E101 PolarHBondContact O-N 2.87Å; E101-R103 VanDerWaalsContact C-N 3.28Å; E101-R103 PolarHBondContact O-N 3.48Å; E101-L104 WeakPolarHBondContact O-CB 3.38Å; E101-L104 PolarHBondContact O-N 2.94Å; E101-F105 HydrophobicContact CG-CE2 4.18Å; E101-F105 WeakPolarHBondContact O-CD2 3.36Å; E101-F105 PolarHBondContact O-N 3.36Å
102	A	95.9	Very high	92.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-57.8	-40.1	173.2	0	0	0	0	0	112	L97 L98 L104 F105 F106 L195 L196	L97-A102 HydrophobicContact CB-CB 4.13Å; L98-A102 PolarHBondContact O-N 3.11Å; A102-L104 VanDerWaalsContact C-N 3.33Å; A102-L104 PolarHBondContact O-N 2.98Å; A102-F105 PolarHBondContact O-N 3.03Å; A102-F106 WeakPolarHBondContact O-CB 3.15Å; A102-F106 PolarHBondContact O-N 3.04Å; A102-L195 HydrophobicContact CB-CB 4.37Å; A102-L196 HydrophobicContact CB-CD2 3.47Å; A102-L196 VanDerWaalsContact CB-CD2 3.47Å; A102-L196 HydrophobicContact CB-CG 4.13Å
103	R	96.5	Very high	93.6	Very high	4 Å²	4	34.8 Å²	34.8	2%	0.015	18%	0.179	C	C	.	.	H	α-helix	trans	-64.9	-32.6	178.3	-162.4	-172.9	-54.7	128.2	9.8	112.8	E99 P100 E101 F106 R107 W255 R258 D259	E99-R103 VanDerWaalsContact O-CB 3.3Å; E99-R103 WeakPolarHBondContact O-CB 3.25Å; E99-R103 PolarHBondContact O-N 2.84Å; P100-R103 WeakPolarHBondContact O-CB 3.33Å; P100-R103 PolarHBondContact O-N 2.91Å; E101-R103 VanDerWaalsContact C-N 3.28Å; E101-R103 PolarHBondContact O-N 3.48Å; R103-F106 PolarHBondContact O-N 3.34Å; R103-R107 HydrophobicContact CG-CG 4.36Å; R103-R107 WeakPolarHBondContact O-CB 3.47Å; R103-R107 WeakPolarHBondContact O-CG 3.46Å; R103-R107 PolarHBondContact O-N 3.11Å; R103-W255 HydrophobicContact CB-CH2 3.68Å; R103-W255 HydrophobicContact CB-CZ2 3.88Å; R103-W255 HydrophobicContact CB-CZ3 4.18Å; R103-W255 WeakPolarHBondContact CD-O 3.11Å; R103-W255 HydrophobicContact CG-CE3 4.28Å; R103-W255 HydrophobicContact CG-CH2 4.01Å; R103-W255 HydrophobicContact CG-CZ2 4.3Å; R103-W255 HydrophobicContact CG-CZ3 3.99Å; R103-W255 PolarHBondContact NE-O 2.9Å; R103-R258 VanDerWaalsContact CD-O 3.31Å; R103-R258 WeakPolarHBondContact CD-O 3.31Å; R103-R258 PolarHBondContact NH1-O 3.26Å; R103-D259 IonicContact CZ-OD2 3.23Å; R103-D259 IonicContact NH1-OD2 2.75Å; R103-D259 PolarHBondContact NH1-OD2 2.86Å; R103-D259 IonicContact NH2-OD2 2.77Å
104	L	95.2	Very high	94.5	Very high	91 Å²	91	30.9 Å²	30.9	48%	0.476	16%	0.162	S	C	.	.	H	α-helix	trans	-62.7	-44.3	175	-60.7	-172.6	0	0	0	112	P100 E101 A102 Q108 F260	P100-L104 WeakPolarHBondContact O-CG 3.46Å; P100-L104 PolarHBondContact O-N 2.72Å; E101-L104 WeakPolarHBondContact O-CB 3.38Å; E101-L104 PolarHBondContact O-N 2.94Å; A102-L104 VanDerWaalsContact C-N 3.33Å; A102-L104 PolarHBondContact O-N 2.98Å; L104-Q108 WeakPolarHBondContact O-CG 3.14Å; L104-Q108 PolarHBondContact O-NE2 3.41Å; L104-F260 HydrophobicContact CD2-CE2 4.46Å; L104-F260 HydrophobicContact CD2-CZ 3.73Å
105	F	95.7	Very high	95.1	Very high	9 Å²	9	27.5 Å²	27.5	4%	0.039	15%	0.147	C	C	.	.	H	α-helix	trans	-71.5	-42.5	174.6	-63.7	-64.2	0	0	0	111.2	L87 Y90 L97 E101 A102 R107 Q108 I109 L133 L139 L195	L87-F105 HydrophobicContact CD1-CB 4.45Å; L87-F105 HydrophobicContact CD1-CD1 3.91Å; L87-F105 HydrophobicContact CD1-CD2 4.21Å; L87-F105 HydrophobicContact CD1-CE1 4.2Å; L87-F105 HydrophobicContact CD1-CE2 4.46Å; L87-F105 HydrophobicContact CD1-CG 3.93Å; L87-F105 HydrophobicContact CD1-CZ 4.46Å; Y90-F105 HydrophobicContact CD1-CE2 4.26Å; Y90-F105 HydrophobicContact CD1-CZ 4.43Å; Y90-F105 AromaticContact CE1-CE2 3.96Å; Y90-F105 HydrophobicContact CE1-CE2 3.96Å; Y90-F105 HydrophobicContact CE1-CZ 4.19Å; L97-F105 HydrophobicContact CD1-CD2 3.81Å; L97-F105 HydrophobicContact CD1-CE2 3.99Å; E101-F105 HydrophobicContact CG-CE2 4.18Å; E101-F105 WeakPolarHBondContact O-CD2 3.36Å; E101-F105 PolarHBondContact O-N 3.36Å; A102-F105 PolarHBondContact O-N 3.03Å; F105-R107 PolarHBondContact O-N 3.07Å; F105-Q108 WeakPolarHBondContact O-CB 3.49Å; F105-Q108 PolarHBondContact O-N 2.69Å; F105-Q108 VanDerWaalsContact O-N 3.1Å; F105-I109 WeakPolarHBondContact O-CG1 3.25Å; F105-I109 PolarHBondContact O-N 3.28Å; F105-L133 HydrophobicContact CD1-CD2 4.05Å; F105-L133 HydrophobicContact CE1-CD1 4.37Å; F105-L133 HydrophobicContact CE1-CD2 3.62Å; F105-L139 HydrophobicContact CB-CD1 4.34Å; F105-L139 HydrophobicContact CD1-CD1 4.41Å; F105-L195 HydrophobicContact CB-CD2 4.47Å
106	F	97.1	Very high	95.6	Very high	1 Å²	1	22.8 Å²	22.8	0%	0.004	12%	0.122	C	C	.	.	H	α-helix	trans	-68.7	-35	-175.5	-150.8	-112.4	0	0	0	113.8	A102 R103 Q108 I109 I110 M188 L192 L195 M236 W255	A102-F106 WeakPolarHBondContact O-CB 3.15Å; A102-F106 PolarHBondContact O-N 3.04Å; R103-F106 PolarHBondContact O-N 3.34Å; F106-Q108 VanDerWaalsContact C-N 3.29Å; F106-Q108 PolarHBondContact O-N 2.8Å; F106-I109 HydrophobicContact CD2-CB 4.5Å; F106-I109 HydrophobicContact CD2-CD1 3.93Å; F106-I109 PolarHBondContact O-N 2.9Å; F106-I110 HydrophobicContact CD1-CD1 3.56Å; F106-I110 HydrophobicContact CD1-CG1 4.01Å; F106-I110 HydrophobicContact CE1-CD1 3.8Å; F106-I110 HydrophobicContact CE1-CG1 4.01Å; F106-I110 VanDerWaalsContact O-CG1 3.31Å; F106-I110 WeakPolarHBondContact O-CG1 3.3Å; F106-I110 PolarHBondContact O-N 3.36Å; F106-M188 HydrophobicContact CE2-CB 4.36Å; F106-M188 VanDerWaalsContact CE2-O 3.28Å; F106-M188 WeakPolarHBondContact CE2-O 3.5Å; F106-M188 HydrophobicContact CZ-CB 4.06Å; F106-M188 HydrophobicContact CZ-CE 4.18Å; F106-M188 WeakPolarHBondContact CZ-O 3.32Å; F106-L192 HydrophobicContact CB-CD1 4.44Å; F106-L192 HydrophobicContact CD1-CD1 4.08Å; F106-L192 HydrophobicContact CD1-CD2 4.43Å; F106-L192 HydrophobicContact CD2-CB 4.18Å; F106-L192 HydrophobicContact CD2-CD1 4.07Å; F106-L192 HydrophobicContact CE1-CB 4.28Å; F106-L192 HydrophobicContact CE1-CD1 4.33Å; F106-L192 HydrophobicContact CE1-CD2 4Å; F106-L192 HydrophobicContact CE1-CG 4.44Å; F106-L192 HydrophobicContact CE2-CB 3.65Å; F106-L192 HydrophobicContact CE2-CD1 4.34Å; F106-L192 HydrophobicContact CE2-CG 4.46Å; F106-L192 HydrophobicContact CG-CD1 3.94Å; F106-L192 HydrophobicContact CZ-CB 3.69Å; F106-L192 HydrophobicContact CZ-CD1 4.45Å; F106-L192 HydrophobicContact CZ-CD2 4.2Å; F106-L192 HydrophobicContact CZ-CG 4.32Å; F106-L195 HydrophobicContact CD2-CD1 3.95Å; F106-M236 HydrophobicContact CE1-CE 4.21Å; F106-M236 HydrophobicContact CE1-SD 4.08Å; F106-M236 HydrophobicContact CZ-CE 3.81Å; F106-M236 HydrophobicContact CZ-SD 4.03Å; F106-W255 HydrophobicContact CB-CH2 4.5Å; F106-W255 HydrophobicContact CB-CZ3 4.23Å; F106-W255 HydrophobicContact CD1-CZ3 4.05Å; F106-W255 HydrophobicContact CG-CZ3 4.45Å
107	R	97	Very high	95.8	Very high	14 Å²	14	22.9 Å²	22.9	5%	0.053	12%	0.119	C	C	.	.	H	α-helix	trans	-59	-40	169.4	-79.6	172.1	69.8	92	-7.4	111.7	R103 F105 A111 V256 F262 L264	R103-R107 HydrophobicContact CG-CG 4.36Å; R103-R107 WeakPolarHBondContact O-CB 3.47Å; R103-R107 WeakPolarHBondContact O-CG 3.46Å; R103-R107 PolarHBondContact O-N 3.11Å; F105-R107 PolarHBondContact O-N 3.07Å; R107-A111 WeakPolarHBondContact O-CB 3.36Å; R107-A111 PolarHBondContact O-N 3.17Å; R107-V256 WeakPolarHBondContact CD-O 3.28Å; R107-V256 HydrophobicContact CG-CG1 3.8Å; R107-V256 PolarHBondContact NH1-O 3.13Å; R107-F262 PolarHBondContact NH2-O 3.12Å; R107-L264 HydrophobicContact CB-CD1 3.99Å; R107-L264 HydrophobicContact CB-CD2 4.22Å; R107-L264 HydrophobicContact CG-CD1 4.4Å; R107-L264 HydrophobicContact CG-CD2 4.32Å; R107-L264 WeakPolarHBondContact O-CD2 3.38Å
108	Q	96.7	Very high	95.8	Very high	25 Å²	25	26.8 Å²	26.8	12%	0.117	14%	0.137	C	C	.	.	H	α-helix	trans	-68.9	-36.3	176.8	-68.2	173.7	91.5	0	0	112.3	N74 L104 F105 F106 A112 L139	N74-Q108 HydrophobicContact CB-CB 4.46Å; N74-Q108 PolarHBondContact ND2-OE1 2.94Å; L104-Q108 WeakPolarHBondContact O-CG 3.14Å; L104-Q108 PolarHBondContact O-NE2 3.41Å; F105-Q108 WeakPolarHBondContact O-CB 3.49Å; F105-Q108 PolarHBondContact O-N 2.69Å; F105-Q108 VanDerWaalsContact O-N 3.1Å; F106-Q108 VanDerWaalsContact C-N 3.29Å; F106-Q108 PolarHBondContact O-N 2.8Å; Q108-A112 WeakPolarHBondContact O-CB 3.47Å; Q108-A112 PolarHBondContact O-N 3.06Å; Q108-L139 HydrophobicContact CB-CB 3.94Å; Q108-L139 HydrophobicContact CB-CD2 4.07Å; Q108-L139 HydrophobicContact CB-CG 4.48Å
109	I	97.2	Very high	95.7	Very high	3 Å²	3	22.9 Å²	22.9	2%	0.015	12%	0.117	C	C	.	.	H	α-helix	trans	-65.8	-49.8	174.2	-64.9	153.4	0	0	0	110.7	L87 F105 F106 A111 A112 V113 L131 L139 M188 L191 L195	L87-I109 HydrophobicContact CD2-CD1 4.42Å; F105-I109 WeakPolarHBondContact O-CG1 3.25Å; F105-I109 PolarHBondContact O-N 3.28Å; F106-I109 HydrophobicContact CD2-CB 4.5Å; F106-I109 HydrophobicContact CD2-CD1 3.93Å; F106-I109 PolarHBondContact O-N 2.9Å; I109-A111 VanDerWaalsContact C-N 3.31Å; I109-A111 PolarHBondContact O-N 3.49Å; I109-A112 PolarHBondContact O-N 3.34Å; I109-V113 HydrophobicContact CG2-CG2 4.22Å; I109-V113 WeakPolarHBondContact O-CG2 3.46Å; I109-V113 PolarHBondContact O-N 3.43Å; I109-L131 HydrophobicContact CD1-CD1 4.18Å; I109-L131 HydrophobicContact CG1-CD1 4.3Å; I109-L131 HydrophobicContact CG1-CD2 4.35Å; I109-L139 HydrophobicContact CD1-CD1 3.84Å; I109-L139 HydrophobicContact CG1-CD1 3.52Å; I109-L139 HydrophobicContact CG1-CD2 3.96Å; I109-L139 HydrophobicContact CG1-CG 4.4Å; I109-M188 HydrophobicContact CG2-CE 4.21Å; I109-M188 HydrophobicContact CG2-CG 4.09Å; I109-M188 HydrophobicContact CG2-SD 4.48Å; I109-L191 HydrophobicContact CD1-CD2 3.65Å; I109-L191 HydrophobicContact CD1-CG 4.27Å; I109-L191 HydrophobicContact CG1-CD2 4.32Å; I109-L191 HydrophobicContact CG2-CD2 4.05Å; I109-L195 HydrophobicContact CD1-CD1 4.17Å
110	I	97.6	Very high	95.3	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-57.7	-44.8	177.7	-66.1	161.4	0	0	0	110.5	F106 T114 M188 L250 L251 V256 L264	F106-I110 HydrophobicContact CD1-CD1 3.56Å; F106-I110 HydrophobicContact CD1-CG1 4.01Å; F106-I110 HydrophobicContact CE1-CD1 3.8Å; F106-I110 HydrophobicContact CE1-CG1 4.01Å; F106-I110 VanDerWaalsContact O-CG1 3.31Å; F106-I110 WeakPolarHBondContact O-CG1 3.3Å; F106-I110 PolarHBondContact O-N 3.36Å; I110-T114 VanDerWaalsContact O-CB 3.25Å; I110-T114 WeakPolarHBondContact O-CB 3.46Å; I110-T114 PolarHBondContact O-N 3.04Å; I110-T114 PolarHBondContact O-OG1 2.89Å; I110-M188 HydrophobicContact CB-CE 4.24Å; I110-M188 HydrophobicContact CG1-CE 3.53Å; I110-L250 HydrophobicContact CD1-CB 4.23Å; I110-L250 HydrophobicContact CG1-CB 4.38Å; I110-L250 HydrophobicContact CG1-CD1 4.44Å; I110-L250 HydrophobicContact CG2-CB 3.96Å; I110-L251 HydrophobicContact CG2-CD2 3.89Å; I110-V256 HydrophobicContact CD1-CB 4.4Å; I110-V256 HydrophobicContact CD1-CG1 3.75Å; I110-V256 HydrophobicContact CD1-CG2 3.67Å; I110-L264 HydrophobicContact CB-CD2 3.74Å; I110-L264 HydrophobicContact CG2-CD2 3.63Å
111	A	97.1	Very high	95.1	Very high	3 Å²	3	19.2 Å²	19.2	3%	0.025	10%	0.099	C	C	.	.	H	α-helix	trans	-59.4	-50.1	177.1	0	0	0	0	0	111.9	R107 I109 F115 L264 W266	R107-A111 WeakPolarHBondContact O-CB 3.36Å; R107-A111 PolarHBondContact O-N 3.17Å; I109-A111 VanDerWaalsContact C-N 3.31Å; I109-A111 PolarHBondContact O-N 3.49Å; A111-F115 WeakPolarHBondContact O-CB 3.1Å; A111-F115 PolarHBondContact O-N 3.34Å; A111-L264 HydrophobicContact CB-CD1 4.31Å; A111-L264 HydrophobicContact CB-CG 4.48Å; A111-W266 HydrophobicContact CB-CB 4.41Å
112	A	96.3	Very high	94.9	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.008	9%	0.089	C	C	.	.	H	α-helix	trans	-60.3	-49.8	178.5	0	0	0	0	0	112.4	H72 N74 I75 Q108 I109 F115 V116 L141	H72-A112 PolarHBondContact CE1-N 3.48Å; N74-A112 HydrophobicContact CB-CB 4.07Å; I75-A112 HydrophobicContact CG1-CB 4.28Å; Q108-A112 WeakPolarHBondContact O-CB 3.47Å; Q108-A112 PolarHBondContact O-N 3.06Å; I109-A112 PolarHBondContact O-N 3.34Å; A112-F115 PolarHBondContact O-N 2.88Å; A112-V116 VanDerWaalsContact O-CG2 3.29Å; A112-V116 WeakPolarHBondContact O-CG2 3.23Å; A112-V116 PolarHBondContact O-N 3.43Å; A112-L141 HydrophobicContact CB-CD2 4.13Å
113	V	96.3	Very high	94.6	Very high	3 Å²	3	17.1 Å²	17.1	2%	0.018	9%	0.089	C	C	.	.	H	α-helix	trans	-68.7	-38.8	-176.2	178.4	0	0	0	0	111.4	I109 F115 V116 H117 L126 D184 M188	I109-V113 HydrophobicContact CG2-CG2 4.22Å; I109-V113 WeakPolarHBondContact O-CG2 3.46Å; I109-V113 PolarHBondContact O-N 3.43Å; V113-F115 VanDerWaalsContact C-N 3.33Å; V113-F115 PolarHBondContact O-N 2.62Å; V113-V116 PolarHBondContact O-N 3.02Å; V113-H117 VanDerWaalsContact CG1-CE1 3.45Å; V113-H117 WeakPolarHBondContact CG1-CE1 3.39Å; V113-H117 WeakPolarHBondContact CG1-NE2 3.41Å; V113-H117 PolarHBondContact O-CD2 3.24Å; V113-H117 VanDerWaalsContact O-CG 3.31Å; V113-H117 PolarHBondContact O-N 3.15Å; V113-L126 HydrophobicContact CG1-CD1 4.15Å; V113-L126 HydrophobicContact CG2-CD1 3.59Å; V113-L126 HydrophobicContact CG2-CD2 4.05Å; V113-D184 HydrophobicContact CG1-CB 4.23Å; V113-M188 HydrophobicContact CB-SD 3.78Å; V113-M188 HydrophobicContact CG1-SD 3.66Å; V113-M188 HydrophobicContact CG2-CG 4.44Å; V113-M188 HydrophobicContact CG2-SD 3.84Å
114	T	96.4	Very high	94.3	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.006	9%	0.093	C	C	.	.	H	α-helix	trans	-61	-43.2	173.9	-53.4	0	0	0	0	111.1	I110 V116 H117 E118 A247 L251 W266	I110-T114 VanDerWaalsContact O-CB 3.25Å; I110-T114 WeakPolarHBondContact O-CB 3.46Å; I110-T114 PolarHBondContact O-N 3.04Å; I110-T114 PolarHBondContact O-OG1 2.89Å; T114-V116 PolarHBondContact O-N 3Å; T114-H117 PolarHBondContact O-N 2.92Å; T114-E118 HydrophobicContact CG2-CG 4.32Å; T114-E118 WeakPolarHBondContact O-CB 3.24Å; T114-E118 VanDerWaalsContact O-CG 3.3Å; T114-E118 WeakPolarHBondContact O-CG 3.37Å; T114-E118 PolarHBondContact O-N 2.83Å; T114-A247 HydrophobicContact CG2-CB 4.35Å; T114-A247 PolarHBondContact OG1-O 2.64Å; T114-L251 HydrophobicContact CG2-CD1 4.37Å; T114-L251 HydrophobicContact CG2-CD2 4.39Å; T114-W266 HydrophobicContact CG2-CB 4.04Å; T114-W266 HydrophobicContact CG2-CD2 3.79Å; T114-W266 HydrophobicContact CG2-CE3 4.29Å; T114-W266 HydrophobicContact CG2-CG 3.65Å
115	F	95.5	Very high	93.8	Very high	19 Å²	19	14.3 Å²	14.3	8%	0.083	7%	0.073	C	C	.	.	H	α-helix	trans	-62.2	-41.4	175.3	-178.3	-94.5	0	0	0	112.8	L70 H71 H72 I75 A111 A112 V113 N119 W266	L70-F115 HydrophobicContact CB-CE1 4.49Å; L70-F115 HydrophobicContact CD2-CD1 4.24Å; L70-F115 HydrophobicContact CD2-CE1 4.03Å; H71-F115 VanDerWaalsContact O-CZ 3.25Å; H71-F115 WeakPolarHBondContact O-CZ 3.45Å; H72-F115 HydrophobicContact CB-CD1 3.6Å; H72-F115 HydrophobicContact CB-CE1 3.79Å; H72-F115 HydrophobicContact CB-CG 4.01Å; H72-F115 HydrophobicContact CB-CZ 4.38Å; H72-F115 AromaticContact CD2-CG 3.93Å; I75-F115 HydrophobicContact CD1-CD1 3.96Å; I75-F115 HydrophobicContact CD1-CE1 4.47Å; A111-F115 WeakPolarHBondContact O-CB 3.1Å; A111-F115 PolarHBondContact O-N 3.34Å; A112-F115 PolarHBondContact O-N 2.88Å; V113-F115 VanDerWaalsContact C-N 3.33Å; V113-F115 PolarHBondContact O-N 2.62Å; F115-N119 WeakPolarHBondContact CE1-ND2 3.39Å; F115-N119 WeakPolarHBondContact CE2-ND2 3.4Å; F115-N119 VanDerWaalsContact CZ-ND2 3.31Å; F115-N119 WeakPolarHBondContact CZ-ND2 3.29Å; F115-N119 PolarHBondContact O-N 3.01Å; F115-N119 PolarHBondContact O-ND2 3.33Å; F115-W266 HydrophobicContact CB-CE3 4.11Å; F115-W266 HydrophobicContact CD2-CE3 4.13Å; F115-W266 HydrophobicContact CD2-CZ3 4.17Å
116	V	94.3	Very high	93.6	Very high	1 Å²	1	13.9 Å²	13.9	1%	0.006	7%	0.071	C	C	.	.	H	α-helix	trans	-60.5	-47.2	175.2	172.8	0	0	0	0	110.6	L70 I75 A112 V113 T114 N119 F121 L141 F144	L70-V116 HydrophobicContact CD1-CG1 4.5Å; L70-V116 HydrophobicContact CD1-CG2 4.27Å; L70-V116 HydrophobicContact CD2-CG2 4.33Å; I75-V116 HydrophobicContact CD1-CG2 3.65Å; A112-V116 VanDerWaalsContact O-CG2 3.29Å; A112-V116 WeakPolarHBondContact O-CG2 3.23Å; A112-V116 PolarHBondContact O-N 3.43Å; V113-V116 PolarHBondContact O-N 3.02Å; T114-V116 PolarHBondContact O-N 3Å; V116-N119 PolarHBondContact O-N 3.18Å; V116-F121 CarbonylContact C-O 3.49Å; V116-F121 HydrophobicContact CG1-CB 3.7Å; V116-F121 PolarHBondContact O-N 3.31Å; V116-F121 VanDerWaalsContact O-O 3.1Å; V116-L141 HydrophobicContact CG2-CD2 4.48Å; V116-F144 HydrophobicContact CG1-CE1 4.33Å; V116-F144 HydrophobicContact CG2-CE1 3.86Å; V116-F144 HydrophobicContact CG2-CZ 4.21Å
117	H	94	Very high	93	Very high	13 Å²	13	15.2 Å²	15.2	6%	0.06	8%	0.077	C	C	.	.	H	α-helix	trans	-62.9	-44.9	179.3	-68.6	-177.5	0	0	0	112.6	V113 T114 N119 G120 F121 L154 N181 D184	V113-H117 VanDerWaalsContact CG1-CE1 3.45Å; V113-H117 WeakPolarHBondContact CG1-CE1 3.39Å; V113-H117 WeakPolarHBondContact CG1-NE2 3.41Å; V113-H117 PolarHBondContact O-CD2 3.24Å; V113-H117 VanDerWaalsContact O-CG 3.31Å; V113-H117 PolarHBondContact O-N 3.15Å; T114-H117 PolarHBondContact O-N 2.92Å; H117-N119 VanDerWaalsContact C-N 3.27Å; H117-N119 PolarHBondContact O-N 2.86Å; H117-G120 WeakPolarHBondContact O-CA 3.38Å; H117-G120 PolarHBondContact O-N 2.95Å; H117-F121 VanDerWaalsContact CA-O 3.3Å; H117-F121 WeakPolarHBondContact CA-O 3.37Å; H117-F121 PolarHBondContact CD2-O 2.86Å; H117-F121 PolarHBondContact N-O 3.05Å; H117-L154 HydrophobicContact CB-CD2 3.77Å; H117-L154 WeakPolarHBondContact O-CD2 3.47Å; H117-N181 VanDerWaalsContact CE1-CA 3.49Å; H117-N181 WeakPolarHBondContact CE1-CA 3.43Å; H117-N181 VanDerWaalsContact CE1-CB 3.49Å; H117-N181 WeakPolarHBondContact CE1-CB 3.37Å; H117-D184 IonicContact CD2-OD2 2.88Å; H117-D184 IonicContact CE1-OD2 2.71Å; H117-D184 IonicContact NE2-OD2 2.79Å; H117-D184 PolarHBondContact NE2-OD2 3.01Å
118	E	93	Very high	92.3	Very high	91 Å²	91	14.5 Å²	14.5	43%	0.425	7%	0.074	S	C	.	.	H	α-helix	trans	-70.2	-21.7	-179.5	-67.9	-73.7	116.6	0	0	113.2	T114 G120 K248 W266	T114-E118 HydrophobicContact CG2-CG 4.32Å; T114-E118 WeakPolarHBondContact O-CB 3.24Å; T114-E118 VanDerWaalsContact O-CG 3.3Å; T114-E118 WeakPolarHBondContact O-CG 3.37Å; T114-E118 PolarHBondContact O-N 2.83Å; E118-G120 PolarHBondContact O-N 3.16Å; E118-K248 WeakPolarHBondContact OE1-CE 3.3Å; E118-K248 IonicContact OE1-NZ 2.66Å; E118-K248 PolarHBondContact OE1-NZ 3.12Å; E118-K248 WeakPolarHBondContact OE2-CE 3.3Å; E118-K248 IonicContact OE2-NZ 3.11Å; E118-K248 PolarHBondContact OE2-NZ 3.35Å; E118-W266 HydrophobicContact CB-CE3 4.49Å; E118-W266 HydrophobicContact CB-CH2 3.66Å; E118-W266 HydrophobicContact CB-CZ3 3.62Å; E118-W266 HydrophobicContact CG-CE3 4.41Å; E118-W266 HydrophobicContact CG-CH2 3.6Å; E118-W266 HydrophobicContact CG-CZ2 4.03Å; E118-W266 HydrophobicContact CG-CZ3 3.82Å
119	N	90.8	Very high	91.5	Very high	56 Å²	56	14.8 Å²	14.8	30%	0.299	8%	0.076	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	1.9	168.7	-79.3	-89.9	0	0	0	113.6	L70 F115 V116 H117 F121 K149	L70-N119 HydrophobicContact CD2-CB 3.71Å; F115-N119 WeakPolarHBondContact CE1-ND2 3.39Å; F115-N119 WeakPolarHBondContact CE2-ND2 3.4Å; F115-N119 VanDerWaalsContact CZ-ND2 3.31Å; F115-N119 WeakPolarHBondContact CZ-ND2 3.29Å; F115-N119 PolarHBondContact O-N 3.01Å; F115-N119 PolarHBondContact O-ND2 3.33Å; V116-N119 PolarHBondContact O-N 3.18Å; H117-N119 VanDerWaalsContact C-N 3.27Å; H117-N119 PolarHBondContact O-N 2.86Å; N119-F121 HydrophobicContact CB-CD2 3.92Å; N119-F121 HydrophobicContact CB-CE2 4.31Å; N119-F121 WeakPolarHBondContact O-CD2 3.47Å; N119-K149 PolarHBondContact O-NZ 2.91Å; N119-K149 VanDerWaalsContact O-NZ 3.07Å
120	G	88.8	Confident	91	Very high	19 Å²	19	15.2 Å²	15.2	20%	0.196	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.1	17.5	179.2	0	0	0	0	0	114.7	H117 E118 K149	H117-G120 WeakPolarHBondContact O-CA 3.38Å; H117-G120 PolarHBondContact O-N 2.95Å; E118-G120 PolarHBondContact O-N 3.16Å; G120-K149 WeakPolarHBondContact O-CA 3.38Å
121	F	90.2	Very high	90.7	Very high	5 Å²	5	15.4 Å²	15.4	2%	0.022	8%	0.079	C	C	.	.			trans	-106.1	154.1	176.6	-65.6	-97.9	0	0	0	111.1	A66 H69 L70 V116 H117 N119 A148 K149 L154	A66-F121 HydrophobicContact CB-CD1 4.06Å; A66-F121 HydrophobicContact CB-CE1 3.7Å; A66-F121 HydrophobicContact CB-CZ 4.35Å; H69-F121 HydrophobicContact CB-CE2 4.36Å; H69-F121 HydrophobicContact CB-CZ 4.42Å; L70-F121 HydrophobicContact CD1-CB 4.43Å; L70-F121 HydrophobicContact CD1-CD1 4.48Å; L70-F121 HydrophobicContact CD1-CD2 4.21Å; L70-F121 HydrophobicContact CD1-CG 4.17Å; L70-F121 HydrophobicContact CD2-CD2 3.88Å; L70-F121 HydrophobicContact CD2-CE2 4.24Å; L70-F121 HydrophobicContact CG-CD2 4.21Å; L70-F121 HydrophobicContact CG-CE2 4.28Å; V116-F121 CarbonylContact C-O 3.49Å; V116-F121 HydrophobicContact CG1-CB 3.7Å; V116-F121 PolarHBondContact O-N 3.31Å; V116-F121 VanDerWaalsContact O-O 3.1Å; H117-F121 VanDerWaalsContact CA-O 3.3Å; H117-F121 WeakPolarHBondContact CA-O 3.37Å; H117-F121 PolarHBondContact CD2-O 2.86Å; H117-F121 PolarHBondContact N-O 3.05Å; N119-F121 HydrophobicContact CB-CD2 3.92Å; N119-F121 HydrophobicContact CB-CE2 4.31Å; N119-F121 WeakPolarHBondContact O-CD2 3.47Å; F121-A148 CarbonylContact C-O 3.55Å; F121-A148 VanDerWaalsContact CA-O 3.32Å; F121-A148 WeakPolarHBondContact CA-O 3.16Å; F121-K149 HydrophobicContact CD1-CB 3.77Å; F121-K149 HydrophobicContact CD1-CD 4.38Å; F121-K149 HydrophobicContact CD2-CD 4.23Å; F121-K149 HydrophobicContact CE1-CB 3.84Å; F121-K149 HydrophobicContact CE1-CD 3.98Å; F121-K149 HydrophobicContact CE2-CD 3.84Å; F121-K149 HydrophobicContact CG-CB 4.3Å; F121-K149 HydrophobicContact CG-CD 4.5Å; F121-K149 HydrophobicContact CZ-CB 4.43Å; F121-K149 HydrophobicContact CZ-CD 3.7Å; F121-L154 VanDerWaalsContact C-CD1 3.47Å; F121-L154 WeakPolarHBondContact O-CD1 3.46Å
122	A	91.1	Very high	90.4	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.087	C	C	.	.	B	Isolated β-bridge	trans	-123.5	147.9	161.5	0	0	0	0	0	109.4	R124 C147 A148 L154 D184	A122-R124 HydrophobicContact CB-CG 4.04Å; A122-C147 CarbonylContact O-C 3.51Å; A122-C147 WeakPolarHBondContact O-CA 3.5Å; A122-C147 WeakPolarHBondContact O-CB 3.34Å; A122-A148 PolarHBondContact N-O 3.16Å; A122-A148 PolarHBondContact O-N 2.91Å; A122-L154 HydrophobicContact CB-CD1 3.92Å; A122-D184 WeakPolarHBondContact CA-OD2 3.39Å
123	H	90.7	Very high	90	Very high	1 Å²	1	17 Å²	17	1%	0.005	9%	0.086	C	C	.	.			trans	-84.1	-47.8	-174.5	-163.9	-65.2	0	0	0	112.5	D125 L126 I142 D143 F144 L146 D184	H123-D125 PolarHBondContact O-N 2.92Å; H123-L126 HydrophobicContact CB-CD2 3.74Å; H123-L126 HydrophobicContact CB-CG 3.96Å; H123-I142 PolarHBondContact CE1-O 2.87Å; H123-I142 PolarHBondContact NE2-O 3.31Å; H123-I142 VanDerWaalsContact NE2-O 3.13Å; H123-D143 PolarHBondContact CE1-O 2.64Å; H123-F144 AromaticContact CD2-CD1 3.97Å; H123-F144 AromaticContact CD2-CE1 3.64Å; H123-F144 AromaticContact CD2-CZ 3.9Å; H123-L146 CarbonylContact O-C 3.43Å; H123-D184 PolarHBondContact N-OD1 2.82Å; H123-D184 PolarHBondContact N-OD2 2.82Å
124	R	88.4	Confident	89.5	Confident	25 Å²	25	17.4 Å²	17.4	9%	0.094	9%	0.089	C	C	.	.	S	Bend	trans	62.3	21.5	175.5	-43.8	-175.5	-58.9	158.1	-7.3	115.9	A122 L146 C147 Y178 D184	A122-R124 HydrophobicContact CB-CG 4.04Å; R124-L146 PolarHBondContact NE-O 2.97Å; R124-L146 PolarHBondContact NH2-O 2.93Å; R124-C147 PolarHBondContact NH2-O 3.22Å; R124-Y178 PolarHBondContact NH1-OH 2.85Å; R124-D184 WeakPolarHBondContact CA-OD1 3.44Å; R124-D184 PolarHBondContact N-OD1 3.47Å
125	D	86.2	Confident	88.8	Confident	11 Å²	11	24.5 Å²	24.5	6%	0.059	12%	0.122	C	C	.	.			trans	-159.5	46.1	173.3	-166.7	33.7	0	0	0	109.8	H123 K127 N130 L146 G163 S164	H123-D125 PolarHBondContact O-N 2.92Å; D125-K127 PolarHBondContact O-N 3.17Å; D125-K127 IonicContact OD1-NZ 3.81Å; D125-K127 PolarHBondContact OD1-NZ 2.81Å; D125-K127 IonicContact OD2-NZ 3.56Å; D125-K127 PolarHBondContact OD2-NZ 2.89Å; D125-N130 PolarHBondContact O-ND2 2.73Å; D125-N130 PolarHBondContact OD2-ND2 2.98Å; D125-L146 HydrophobicContact CB-CB 4.31Å; D125-L146 HydrophobicContact CB-CD1 3.82Å; D125-G163 VanDerWaalsContact OD1-CA 3.26Å; D125-G163 WeakPolarHBondContact OD1-CA 3.38Å; D125-S164 PolarHBondContact OD1-N 3.36Å
126	L	90.9	Very high	88.3	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.143	C	C	.	.			trans	-75.7	112.5	176.9	-64.9	176.3	0	0	0	109.3	V113 H123 L141 D184 M188	V113-L126 HydrophobicContact CG1-CD1 4.15Å; V113-L126 HydrophobicContact CG2-CD1 3.59Å; V113-L126 HydrophobicContact CG2-CD2 4.05Å; H123-L126 HydrophobicContact CB-CD2 3.74Å; H123-L126 HydrophobicContact CB-CG 3.96Å; L126-L141 HydrophobicContact CD2-CD1 3.61Å; L126-L141 HydrophobicContact CD2-CD2 4.21Å; L126-D184 HydrophobicContact CD1-CB 3.73Å; L126-M188 HydrophobicContact CD1-CG 3.79Å; L126-M188 HydrophobicContact CD1-SD 4.36Å
127	K	85.4	Confident	87.9	Confident	28 Å²	28	31.6 Å²	31.6	12%	0.122	16%	0.161	C	C	.	.			trans	-152.6	157.8	-179.7	64.4	-173	179.3	-138.3	0	110.4	D125 E129 N130 S164 Y167	D125-K127 PolarHBondContact O-N 3.17Å; D125-K127 IonicContact OD1-NZ 3.81Å; D125-K127 PolarHBondContact OD1-NZ 2.81Å; D125-K127 IonicContact OD2-NZ 3.56Å; D125-K127 PolarHBondContact OD2-NZ 2.89Å; K127-E129 WeakPolarHBondContact CB-OE2 3.48Å; K127-E129 WeakPolarHBondContact CD-OE2 3.05Å; K127-E129 HydrophobicContact CG-CB 4.42Å; K127-E129 VanDerWaalsContact CG-OE2 3.27Å; K127-E129 WeakPolarHBondContact CG-OE2 3.32Å; K127-E129 PolarHBondContact O-N 2.98Å; K127-N130 WeakPolarHBondContact CE-ND2 3.06Å; K127-N130 WeakPolarHBondContact CE-OD1 3.32Å; K127-N130 HydrophobicContact CG-CB 4.04Å; K127-N130 PolarHBondContact O-N 2.92Å; K127-S164 VanDerWaalsContact CD-OG 3.28Å; K127-S164 WeakPolarHBondContact CD-OG 3.49Å; K127-S164 PolarHBondContact NZ-OG 2.82Å; K127-Y167 HydrophobicContact CB-CD1 4.32Å; K127-Y167 HydrophobicContact CB-CD2 3.75Å; K127-Y167 HydrophobicContact CB-CE1 4.48Å; K127-Y167 HydrophobicContact CB-CE2 3.89Å; K127-Y167 HydrophobicContact CB-CG 4Å
128	P	82.2	Confident	87.7	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-53.1	-33.5	179.9	-30.2	38	0	0	0	115.6	F88 N130 L131 Y167 L191 T194	F88-P128 HydrophobicContact CB-CB 3.62Å; F88-P128 HydrophobicContact CD2-CB 3.54Å; F88-P128 HydrophobicContact CD2-CG 3.88Å; F88-P128 HydrophobicContact CG-CB 4.07Å; P128-N130 VanDerWaalsContact C-N 3.26Å; P128-N130 PolarHBondContact O-N 3.22Å; P128-L131 PolarHBondContact O-N 2.93Å; P128-Y167 VanDerWaalsContact CD-OH 3.25Å; P128-Y167 WeakPolarHBondContact CD-OH 3.37Å; P128-Y167 HydrophobicContact CG-CE1 4.33Å; P128-Y167 WeakPolarHBondContact CG-OH 3Å; P128-L191 HydrophobicContact CB-CD1 4.49Å; P128-L191 HydrophobicContact CG-CD1 3.67Å; P128-T194 HydrophobicContact CG-CG2 4.29Å
129	E	79.1	Confident	87.8	Confident	31 Å²	31	34 Å²	34	15%	0.145	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-70.7	-23.8	178.7	-53.8	95.7	141.1	0	0	112.3	K127 L131	K127-E129 WeakPolarHBondContact CB-OE2 3.48Å; K127-E129 WeakPolarHBondContact CD-OE2 3.05Å; K127-E129 HydrophobicContact CG-CB 4.42Å; K127-E129 VanDerWaalsContact CG-OE2 3.27Å; K127-E129 WeakPolarHBondContact CG-OE2 3.32Å; K127-E129 PolarHBondContact O-N 2.98Å; E129-L131 VanDerWaalsContact C-N 3.27Å
130	N	87.5	Confident	87.9	Confident	12 Å²	12	31.7 Å²	31.7	6%	0.064	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-91	14.6	174.5	-70.5	-3.9	0	0	0	112.4	D125 K127 P128 I142	D125-N130 PolarHBondContact O-ND2 2.73Å; D125-N130 PolarHBondContact OD2-ND2 2.98Å; K127-N130 WeakPolarHBondContact CE-ND2 3.06Å; K127-N130 WeakPolarHBondContact CE-OD1 3.32Å; K127-N130 HydrophobicContact CG-CB 4.04Å; K127-N130 PolarHBondContact O-N 2.92Å; P128-N130 VanDerWaalsContact C-N 3.26Å; P128-N130 PolarHBondContact O-N 3.22Å; N130-I142 VanDerWaalsContact C-CG1 3.41Å; N130-I142 HydrophobicContact CB-CG1 4.25Å; N130-I142 WeakPolarHBondContact O-CG1 3.42Å; N130-I142 PolarHBondContact O-N 2.77Å
131	L	91.7	Very high	88.1	Confident	3 Å²	3	30.9 Å²	30.9	2%	0.016	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	102.3	-179.4	-65	168.2	0	0	0	108.9	L87 I109 P128 E129 L139 L141 L191	L87-L131 HydrophobicContact CB-CB 3.94Å; L87-L131 VanDerWaalsContact CB-O 3.26Å; L87-L131 WeakPolarHBondContact CB-O 3.45Å; L87-L131 HydrophobicContact CD2-CB 3.94Å; L87-L131 HydrophobicContact CD2-CD1 3.78Å; L87-L131 HydrophobicContact CD2-CG 4.49Å; L87-L131 PolarHBondContact N-O 2.82Å; I109-L131 HydrophobicContact CD1-CD1 4.18Å; I109-L131 HydrophobicContact CG1-CD1 4.3Å; I109-L131 HydrophobicContact CG1-CD2 4.35Å; P128-L131 PolarHBondContact O-N 2.93Å; E129-L131 VanDerWaalsContact C-N 3.27Å; L131-L139 HydrophobicContact CB-CD1 4.5Å; L131-L139 HydrophobicContact CD2-CD1 4.31Å; L131-L139 HydrophobicContact CD2-CD2 4.03Å; L131-L139 HydrophobicContact CD2-CG 4.32Å; L131-L141 HydrophobicContact CD2-CB 4.29Å; L131-L141 HydrophobicContact CD2-CD1 3.67Å; L131-L191 HydrophobicContact CD1-CD1 3.9Å; L131-L191 HydrophobicContact CD1-CD2 3.47Å; L131-L191 VanDerWaalsContact CD1-CD2 3.47Å; L131-L191 HydrophobicContact CD1-CG 4.33Å
132	L	89.7	Confident	88	Confident	36 Å²	36	32.6 Å²	32.6	19%	0.188	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	162.3	177.7	-55.9	-172.5	0	0	0	111.8	C82 G85 E86 L139 K140 I142	C82-L132 HydrophobicContact CB-CB 3.66Å; C82-L132 HydrophobicContact CB-CD1 3.83Å; C82-L132 HydrophobicContact CB-CG 4.41Å; G85-L132 CarbonylContact O-C 3.59Å; G85-L132 VanDerWaalsContact O-CA 3.29Å; G85-L132 WeakPolarHBondContact O-CA 3.31Å; E86-L132 HydrophobicContact CG-CD2 3.91Å; L132-L139 CarbonylContact O-C 3.41Å; L132-L139 WeakPolarHBondContact O-CA 3.39Å; L132-K140 HydrophobicContact CB-CB 4.41Å; L132-K140 PolarHBondContact N-O 2.91Å; L132-K140 PolarHBondContact O-N 3.13Å; L132-I142 HydrophobicContact CD1-CD1 4.08Å; L132-I142 HydrophobicContact CD1-CG2 3.9Å; L132-I142 HydrophobicContact CD2-CD1 4.07Å; L132-I142 HydrophobicContact CG-CD1 3.87Å; L132-I142 HydrophobicContact CG-CG1 4.16Å; L132-I142 HydrophobicContact CG-CG2 4.02Å
133	L	89	Confident	87.4	Confident	1 Å²	1	35.4 Å²	35.4	1%	0.005	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	140	174.9	-61.7	179.4	0	0	0	111.1	C82 G84 G85 L87 Y90 F105 L137 R138 L139	C82-L133 CarbonylContact C-O 3.58Å; C82-L133 WeakPolarHBondContact CB-O 3.25Å; G84-L133 VanDerWaalsContact CA-O 3.23Å; G84-L133 WeakPolarHBondContact CA-O 3.5Å; G84-L133 PolarHBondContact N-O 3.49Å; G85-L133 PolarHBondContact O-N 3.44Å; L87-L133 HydrophobicContact CD1-CD1 4.39Å; L87-L133 HydrophobicContact CD1-CD2 4.26Å; Y90-L133 HydrophobicContact CD2-CD1 3.99Å; Y90-L133 HydrophobicContact CG-CD1 4.18Å; F105-L133 HydrophobicContact CD1-CD2 4.05Å; F105-L133 HydrophobicContact CE1-CD1 4.37Å; F105-L133 HydrophobicContact CE1-CD2 3.62Å; L133-L137 HydrophobicContact CD1-CD2 4.12Å; L133-R138 CarbonylContact C-O 3.51Å; L133-R138 WeakPolarHBondContact CA-O 3.15Å; L133-L139 HydrophobicContact CD2-CB 4.32Å
134	T	85.1	Confident	86.9	Confident	13 Å²	13	35.4 Å²	35.4	8%	0.08	17%	0.168	C	C	.	.			trans	-74	170.7	161.8	71.8	0	0	0	0	110.5	D136 L137 R138 K140	T134-D136 PolarHBondContact O-N 3.06Å; T134-D136 PolarHBondContact OG1-N 2.82Å; T134-D136 PolarHBondContact OG1-OD2 2.64Å; T134-L137 WeakPolarHBondContact O-CA 3.48Å; T134-L137 PolarHBondContact O-N 2.88Å; T134-R138 HydrophobicContact CG2-CB 4.17Å; T134-R138 PolarHBondContact N-O 2.88Å; T134-R138 WeakPolarHBondContact OG1-CB 3.32Å; T134-R138 PolarHBondContact OG1-N 3.41Å; T134-R138 VanDerWaalsContact OG1-N 3.12Å; T134-K140 HydrophobicContact CG2-CG 4.05Å
135	E	81.1	Confident	85.8	Confident	149 Å²	149	34.8 Å²	34.8	70%	0.696	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.1	-46.2	168.7	-140.9	150.3	146.3	0	0	112	S83 L137	S83-E135 WeakPolarHBondContact OG-CB 3.44Å; S83-E135 PolarHBondContact OG-N 3.34Å; S83-E135 PolarHBondContact OG-OE2 2.86Å; E135-L137 PolarHBondContact O-N 2.87Å
136	D	84.3	Confident	84.8	Confident	98 Å²	98	35.7 Å²	35.7	52%	0.524	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	20.4	179.1	-19.3	-97.9	0	0	0	113.3	T134 R138 K319	T134-D136 PolarHBondContact O-N 3.06Å; T134-D136 PolarHBondContact OG1-N 2.82Å; T134-D136 PolarHBondContact OG1-OD2 2.64Å; D136-R138 HydrophobicContact CB-CG 4.33Å; D136-R138 PolarHBondContact O-N 2.79Å; D136-K319 IonicContact OD2-NZ 3.31Å
137	L	86.3	Confident	83.8	Confident	71 Å²	71	36 Å²	36	37%	0.372	18%	0.176	S	C	.	.			trans	50.7	28.1	-176.8	-57.1	177.4	0	0	0	114.8	Y90 L133 T134 E135	Y90-L137 HydrophobicContact CD2-CD2 4.3Å; Y90-L137 HydrophobicContact CE2-CD1 4.11Å; Y90-L137 HydrophobicContact CE2-CD2 3.99Å; L133-L137 HydrophobicContact CD1-CD2 4.12Å; T134-L137 WeakPolarHBondContact O-CA 3.48Å; T134-L137 PolarHBondContact O-N 2.88Å; E135-L137 PolarHBondContact O-N 2.87Å
138	R	91.1	Very high	82.8	Confident	154 Å²	154	35.2 Å²	35.2	58%	0.581	18%	0.175	S	C	*	.			trans	-81.2	133.4	173.4	-55.2	-55.9	-175	158.8	0.1	110	L133 T134 D136	L133-R138 CarbonylContact C-O 3.51Å; L133-R138 WeakPolarHBondContact CA-O 3.15Å; T134-R138 HydrophobicContact CG2-CB 4.17Å; T134-R138 PolarHBondContact N-O 2.88Å; T134-R138 WeakPolarHBondContact OG1-CB 3.32Å; T134-R138 PolarHBondContact OG1-N 3.41Å; T134-R138 VanDerWaalsContact OG1-N 3.12Å; D136-R138 HydrophobicContact CB-CG 4.33Å; D136-R138 PolarHBondContact O-N 2.79Å
139	L	94.5	Very high	82.1	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	139.7	-174	176.8	145	0	0	0	112	N74 L87 F105 Q108 I109 L131 L132 L133	N74-L139 VanDerWaalsContact CA-O 3.24Å; N74-L139 WeakPolarHBondContact CA-O 3.34Å; N74-L139 HydrophobicContact CB-CD2 4.34Å; N74-L139 WeakPolarHBondContact CB-O 3.41Å; N74-L139 PolarHBondContact ND2-O 3.4Å; L87-L139 HydrophobicContact CD2-CD1 3.87Å; F105-L139 HydrophobicContact CB-CD1 4.34Å; F105-L139 HydrophobicContact CD1-CD1 4.41Å; Q108-L139 HydrophobicContact CB-CB 3.94Å; Q108-L139 HydrophobicContact CB-CD2 4.07Å; Q108-L139 HydrophobicContact CB-CG 4.48Å; I109-L139 HydrophobicContact CD1-CD1 3.84Å; I109-L139 HydrophobicContact CG1-CD1 3.52Å; I109-L139 HydrophobicContact CG1-CD2 3.96Å; I109-L139 HydrophobicContact CG1-CG 4.4Å; L131-L139 HydrophobicContact CB-CD1 4.5Å; L131-L139 HydrophobicContact CD2-CD1 4.31Å; L131-L139 HydrophobicContact CD2-CD2 4.03Å; L131-L139 HydrophobicContact CD2-CG 4.32Å; L132-L139 CarbonylContact O-C 3.41Å; L132-L139 WeakPolarHBondContact O-CA 3.39Å; L133-L139 HydrophobicContact CD2-CB 4.32Å
140	K	92.3	Very high	81.1	Confident	8 Å²	8	40 Å²	40	4%	0.035	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	107.5	-176	-65.2	-66.9	-172.7	160.2	0	110.9	Q73 C76 E80 L132 T134	Q73-K140 WeakPolarHBondContact O-CE 3.47Å; Q73-K140 PolarHBondContact O-NZ 2.94Å; C76-K140 HydrophobicContact CB-CB 4.17Å; E80-K140 VanDerWaalsContact CD-CE 3.46Å; E80-K140 WeakPolarHBondContact OE1-CE 3.46Å; E80-K140 IonicContact OE1-NZ 3.88Å; E80-K140 PolarHBondContact OE1-NZ 2.92Å; E80-K140 WeakPolarHBondContact OE2-CE 3.45Å; E80-K140 IonicContact OE2-NZ 3.74Å; E80-K140 PolarHBondContact OE2-NZ 3.34Å; L132-K140 HydrophobicContact CB-CB 4.41Å; L132-K140 PolarHBondContact N-O 2.91Å; L132-K140 PolarHBondContact O-N 3.13Å; T134-K140 HydrophobicContact CG2-CG 4.05Å
141	L	93.5	Very high	79.4	Confident	2 Å²	2	49 Å²	49	1%	0.01	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	131.5	174.5	-178.1	60.1	0	0	0	111.1	N74 I75 C76 A112 V116 L126 L131 F144	N74-L141 PolarHBondContact O-N 3.02Å; I75-L141 HydrophobicContact CG1-CB 4.45Å; C76-L141 WeakPolarHBondContact CB-O 3.45Å; C76-L141 PolarHBondContact N-O 2.83Å; A112-L141 HydrophobicContact CB-CD2 4.13Å; V116-L141 HydrophobicContact CG2-CD2 4.48Å; L126-L141 HydrophobicContact CD2-CD1 3.61Å; L126-L141 HydrophobicContact CD2-CD2 4.21Å; L131-L141 HydrophobicContact CD2-CB 4.29Å; L131-L141 HydrophobicContact CD2-CD1 3.67Å; L141-F144 HydrophobicContact CD2-CZ 3.98Å; L141-F144 HydrophobicContact CG-CE2 4.38Å; L141-F144 HydrophobicContact CG-CZ 4.04Å
142	I	88.2	Confident	77.4	Confident	41 Å²	41	54.3 Å²	54.3	21%	0.21	27%	0.274	C	S	.	.			trans	-128.8	169.6	-178.2	59	154.6	0	0	0	112.7	C76 H123 N130 L132	C76-I142 HydrophobicContact CB-CG2 3.36Å; H123-I142 PolarHBondContact CE1-O 2.87Å; H123-I142 PolarHBondContact NE2-O 3.31Å; H123-I142 VanDerWaalsContact NE2-O 3.13Å; N130-I142 VanDerWaalsContact C-CG1 3.41Å; N130-I142 HydrophobicContact CB-CG1 4.25Å; N130-I142 WeakPolarHBondContact O-CG1 3.42Å; N130-I142 PolarHBondContact O-N 2.77Å; L132-I142 HydrophobicContact CD1-CD1 4.08Å; L132-I142 HydrophobicContact CD1-CG2 3.9Å; L132-I142 HydrophobicContact CD2-CD1 4.07Å; L132-I142 HydrophobicContact CG-CD1 3.87Å; L132-I142 HydrophobicContact CG-CG1 4.16Å; L132-I142 HydrophobicContact CG-CG2 4.02Å
143	D	78.8	Confident	75.8	Confident	60 Å²	60	54.1 Å²	54.1	32%	0.321	28%	0.281	S	S	.	.			trans	60.7	72.3	174.3	-151.8	-12.1	0	0	0	116.2	K46 H123 G145	K46-D143 IonicContact NZ-OD1 2.76Å; H123-D143 PolarHBondContact CE1-O 2.64Å; D143-G145 PolarHBondContact O-N 3.21Å; D143-G145 PolarHBondContact OD1-N 2.82Å
144	F	79.3	Confident	74.3	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-77.4	12.9	170.3	-66.1	-98.2	0	0	0	112.7	E63 A66 L67 L70 I75 V116 H123 L141 L146 C147	E63-F144 HydrophobicContact CG-CB 4.17Å; A66-F144 HydrophobicContact CB-CB 4.03Å; A66-F144 HydrophobicContact CB-CD1 4.37Å; A66-F144 HydrophobicContact CB-CG 4.39Å; L67-F144 HydrophobicContact CD2-CD2 3.6Å; L67-F144 HydrophobicContact CD2-CE2 3.95Å; L67-F144 HydrophobicContact CD2-CG 4.42Å; L67-F144 HydrophobicContact CG-CD2 4.22Å; L70-F144 HydrophobicContact CD1-CD1 3.74Å; L70-F144 HydrophobicContact CD1-CE1 3.52Å; L70-F144 HydrophobicContact CD1-CZ 4.24Å; I75-F144 HydrophobicContact CD1-CZ 4.19Å; I75-F144 HydrophobicContact CG1-CZ 4.4Å; I75-F144 HydrophobicContact CG2-CE2 3.74Å; I75-F144 HydrophobicContact CG2-CZ 3.85Å; V116-F144 HydrophobicContact CG1-CE1 4.33Å; V116-F144 HydrophobicContact CG2-CE1 3.86Å; V116-F144 HydrophobicContact CG2-CZ 4.21Å; H123-F144 AromaticContact CD2-CD1 3.97Å; H123-F144 AromaticContact CD2-CE1 3.64Å; H123-F144 AromaticContact CD2-CZ 3.9Å; L141-F144 HydrophobicContact CD2-CZ 3.98Å; L141-F144 HydrophobicContact CG-CE2 4.38Å; L141-F144 HydrophobicContact CG-CZ 4.04Å; F144-L146 PolarHBondContact O-N 3.29Å; F144-L146 VanDerWaalsContact O-N 3.09Å; F144-C147 HydrophobicContact CB-CB 4.07Å; F144-C147 HydrophobicContact CD1-CB 4.14Å; F144-C147 VanDerWaalsContact O-CB 3.3Å; F144-C147 WeakPolarHBondContact O-CB 3.37Å; F144-C147 PolarHBondContact O-N 3.41Å; F144-C147 PolarHBondContact O-SG 3.25Å
145	G	64.9	Low	72.8	Confident	12 Å²	12	63.1 Å²	63.1	12%	0.124	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-60.9	-17.7	177.7	0	0	0	0	0	114.7	R59 D143	R59-G145 WeakPolarHBondContact CB-O 3.37Å; D143-G145 PolarHBondContact O-N 3.21Å; D143-G145 PolarHBondContact OD1-N 2.82Å
146	L	66.1	Low	71.1	Confident	30 Å²	30	57.8 Å²	57.8	16%	0.157	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-108.5	5.6	173.2	-63.7	177.7	0	0	0	113.8	H123 R124 D125 F144 C162	H123-L146 CarbonylContact O-C 3.43Å; R124-L146 PolarHBondContact NE-O 2.97Å; R124-L146 PolarHBondContact NH2-O 2.93Å; D125-L146 HydrophobicContact CB-CB 4.31Å; D125-L146 HydrophobicContact CB-CD1 3.82Å; F144-L146 PolarHBondContact O-N 3.29Å; F144-L146 VanDerWaalsContact O-N 3.09Å; L146-C162 HydrophobicContact CD1-CB 4.13Å; L146-C162 HydrophobicContact CD2-CB 4.01Å; L146-C162 HydrophobicContact CG-CB 4.47Å
147	C	70.3	Confident	69.8	Low	7 Å²	7	58.1 Å²	58.1	5%	0.047	30%	0.296	C	S	.	.			trans	-62.5	159.7	-179.5	84.6	0	0	0	0	112.1	A122 R124 F144	A122-C147 CarbonylContact O-C 3.51Å; A122-C147 WeakPolarHBondContact O-CA 3.5Å; A122-C147 WeakPolarHBondContact O-CB 3.34Å; R124-C147 PolarHBondContact NH2-O 3.22Å; F144-C147 HydrophobicContact CB-CB 4.07Å; F144-C147 HydrophobicContact CD1-CB 4.14Å; F144-C147 VanDerWaalsContact O-CB 3.3Å; F144-C147 WeakPolarHBondContact O-CB 3.37Å; F144-C147 PolarHBondContact O-N 3.41Å; F144-C147 PolarHBondContact O-SG 3.25Å
148	A	64.4	Low	68.4	Low	11 Å²	11	56 Å²	56	9%	0.091	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-135.9	135	168.7	0	0	0	0	0	110.5	F121 A122 L158	F121-A148 CarbonylContact C-O 3.55Å; F121-A148 VanDerWaalsContact CA-O 3.32Å; F121-A148 WeakPolarHBondContact CA-O 3.16Å; A122-A148 PolarHBondContact N-O 3.16Å; A122-A148 PolarHBondContact O-N 2.91Å; A148-L158 HydrophobicContact CB-CD1 3.78Å; A148-L158 HydrophobicContact CB-CD2 4.24Å
149	K	66.6	Low	66.4	Low	118 Å²	118	55.5 Å²	55.5	51%	0.513	29%	0.287	S	S	.	.			trans	-110.7	95.3	161.5	177.9	155.5	-175.2	155.4	0	107.5	N119 G120 F121	N119-K149 PolarHBondContact O-NZ 2.91Å; N119-K149 VanDerWaalsContact O-NZ 3.07Å; G120-K149 WeakPolarHBondContact O-CA 3.38Å; F121-K149 HydrophobicContact CD1-CB 3.77Å; F121-K149 HydrophobicContact CD1-CD 4.38Å; F121-K149 HydrophobicContact CD2-CD 4.23Å; F121-K149 HydrophobicContact CE1-CB 3.84Å; F121-K149 HydrophobicContact CE1-CD 3.98Å; F121-K149 HydrophobicContact CE2-CD 3.84Å; F121-K149 HydrophobicContact CG-CB 4.3Å; F121-K149 HydrophobicContact CG-CD 4.5Å; F121-K149 HydrophobicContact CZ-CB 4.43Å; F121-K149 HydrophobicContact CZ-CD 3.7Å
150	P	59.7	Low	64.3	Low	15 Å²	15	59.3 Å²	59.3	10%	0.097	31%	0.31	C	S	.	.			trans	-71.3	139.9	-175.1	-13.3	28.7	0	0	0	110.6	C152 G153 S156 L158	P150-C152 VanDerWaalsContact C-N 3.31Å; P150-C152 PolarHBondContact O-N 3.06Å; P150-G153 WeakPolarHBondContact CB-O 3.42Å; P150-G153 WeakPolarHBondContact O-CA 3.49Å; P150-G153 PolarHBondContact O-N 3.09Å; P150-S156 WeakPolarHBondContact CB-OG 3.32Å; P150-L158 HydrophobicContact CG-CD2 4.35Å
151	E	50.5	Low	62.2	Low	201 Å²	201	62.7 Å²	62.7	94%	0.939	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-36.7	-171.9	-64.4	176.4	168.2	0	0	112.8	G153	E151-G153 VanDerWaalsContact C-N 3.26Å; E151-G153 PolarHBondContact O-N 3.26Å
152	C	49.9	Very low	60.3	Low	114 Å²	114	63.3 Å²	63.3	77%	0.77	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	21.6	174.3	-54.6	0	0	0	0	113.1	P150	P150-C152 VanDerWaalsContact C-N 3.31Å; P150-C152 PolarHBondContact O-N 3.06Å
153	G	56.5	Low	58.8	Low	31 Å²	31	63 Å²	63	32%	0.32	35%	0.346	S	S	.	.			trans	77.9	173.5	-178.7	0	0	0	0	0	114.3	P150 E151 K155 S156	P150-G153 WeakPolarHBondContact CB-O 3.42Å; P150-G153 WeakPolarHBondContact O-CA 3.49Å; P150-G153 PolarHBondContact O-N 3.09Å; E151-G153 VanDerWaalsContact C-N 3.26Å; E151-G153 PolarHBondContact O-N 3.26Å; G153-K155 PolarHBondContact O-N 3.29Å; G153-S156 PolarHBondContact O-N 3.26Å; G153-S156 PolarHBondContact O-OG 3.28Å
154	L	57.7	Low	58.3	Low	28 Å²	28	61.9 Å²	61.9	15%	0.147	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-16.2	-162.4	-151.5	57.9	0	0	0	115.9	H117 F121 A122 N181	H117-L154 HydrophobicContact CB-CD2 3.77Å; H117-L154 WeakPolarHBondContact O-CD2 3.47Å; F121-L154 VanDerWaalsContact C-CD1 3.47Å; F121-L154 WeakPolarHBondContact O-CD1 3.46Å; A122-L154 HydrophobicContact CB-CD1 3.92Å; L154-N181 HydrophobicContact CD2-CB 3.66Å; L154-N181 HydrophobicContact CG-CB 3.94Å
155	K	53.1	Low	58.1	Low	175 Å²	175	64.7 Å²	64.7	76%	0.761	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-20	176.7	-64.4	-176.7	-179.5	179	0	114.1	G153 C179	G153-K155 PolarHBondContact O-N 3.29Å; K155-C179 PolarHBondContact O-SG 3.14Å
156	S	44.7	Very low	59.1	Low	37 Å²	37	64.8 Å²	64.8	26%	0.259	36%	0.36	S	S	.	.	S	Bend	trans	-74.3	138.1	-176.8	74.3	0	0	0	0	111.6	P150 G153	P150-S156 WeakPolarHBondContact CB-OG 3.32Å; G153-S156 PolarHBondContact O-N 3.26Å; G153-S156 PolarHBondContact O-OG 3.28Å
157	F	57.9	Low	60.2	Low	106 Å²	106	63.6 Å²	63.6	47%	0.465	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-74.4	140.2	-165.3	-60.9	-69.7	0	0	0	114.9	E177 Y178	F157-E177 HydrophobicContact CB-CB 3.5Å; F157-E177 HydrophobicContact CB-CG 3.64Å; F157-E177 HydrophobicContact CD1-CB 4.02Å; F157-E177 HydrophobicContact CD2-CB 4.34Å; F157-E177 HydrophobicContact CG-CB 3.73Å; F157-E177 HydrophobicContact CG-CG 4.31Å; F157-Y178 WeakPolarHBondContact CA-O 3.29Å
158	L	56.5	Low	61.1	Low	27 Å²	27	63.8 Å²	63.8	14%	0.141	36%	0.355	C	S	.	.	B	Isolated β-bridge	trans	-103.3	142.7	177.3	-59.7	173.3	0	0	0	110.5	A148 P150 Y178	A148-L158 HydrophobicContact CB-CD1 3.78Å; A148-L158 HydrophobicContact CB-CD2 4.24Å; P150-L158 HydrophobicContact CG-CD2 4.35Å; L158-Y178 HydrophobicContact CB-CD1 4.33Å; L158-Y178 HydrophobicContact CB-CD2 4.48Å; L158-Y178 HydrophobicContact CB-CE1 3.91Å; L158-Y178 HydrophobicContact CB-CE2 4.06Å; L158-Y178 HydrophobicContact CD1-CE2 4.07Å; L158-Y178 PolarHBondContact N-O 3.4Å; L158-Y178 VanDerWaalsContact O-CD1 3.24Å; L158-Y178 WeakPolarHBondContact O-CD1 3.4Å; L158-Y178 WeakPolarHBondContact O-CE1 3.46Å; L158-Y178 PolarHBondContact O-N 3.22Å
159	K	48.6	Very low	62.5	Low	143 Å²	143	63.3 Å²	63.3	62%	0.622	35%	0.351	S	S	*	.			trans	-110.9	-4.9	-175.4	-50.7	-163.7	-169.7	-148.5	0	114.5	E177	K159-E177 HydrophobicContact CD-CG 4.32Å; K159-E177 WeakPolarHBondContact CE-OE1 3.38Å; K159-E177 HydrophobicContact CG-CG 3.98Å; K159-E177 IonicContact NZ-OE1 2.6Å; K159-E177 PolarHBondContact NZ-OE1 3.13Å
160	T	50.5	Low	63.8	Low	79 Å²	79	57.9 Å²	57.9	49%	0.485	33%	0.328	S	S	.	.			trans	-94.1	121	-176.2	-35.9	0	0	0	0	110.7	C162 Y178	T160-C162 PolarHBondContact O-N 2.65Å; T160-Y178 PolarHBondContact O-OH 2.63Å
161	C	48.1	Very low	65.3	Low	80 Å²	80	57.7 Å²	57.7	54%	0.541	33%	0.326	S	S	.	.			trans	-72.5	117.8	166.6	-57.1	0	0	0	0	108.8	L172	C161-L172 HydrophobicContact CB-CD2 3.98Å; C161-L172 PolarHBondContact SG-O 3.19Å
162	C	54.9	Low	67.1	Low	15 Å²	15	48.8 Å²	48.8	10%	0.101	29%	0.285	C	S	.	.			trans	-141.8	158.6	-179.5	-70.2	0	0	0	0	109.1	L146 T160	L146-C162 HydrophobicContact CD1-CB 4.13Å; L146-C162 HydrophobicContact CD2-CB 4.01Å; L146-C162 HydrophobicContact CG-CB 4.47Å; T160-C162 PolarHBondContact O-N 2.65Å
163	G	56.7	Low	68.8	Low	35 Å²	35	45.2 Å²	45.2	36%	0.361	26%	0.258	S	S	.	.	S	Bend	trans	97.1	172.7	174.9	0	0	0	0	0	115	D125	D125-G163 VanDerWaalsContact OD1-CA 3.26Å; D125-G163 WeakPolarHBondContact OD1-CA 3.38Å
164	S	67.7	Low	70.2	Confident	36 Å²	36	46 Å²	46	25%	0.252	26%	0.258	S	S	.	.			trans	-74.3	130.9	-179.7	-67.8	0	0	0	0	112.6	D125 K127 A166 Y167 A168	D125-S164 PolarHBondContact OD1-N 3.36Å; K127-S164 VanDerWaalsContact CD-OG 3.28Å; K127-S164 WeakPolarHBondContact CD-OG 3.49Å; K127-S164 PolarHBondContact NZ-OG 2.82Å; S164-A166 PolarHBondContact O-N 2.95Å; S164-A166 VanDerWaalsContact O-N 3.12Å; S164-Y167 PolarHBondContact O-N 3.34Å; S164-A168 PolarHBondContact O-N 3.27Å
165	P	75.9	Confident	71.3	Confident	58 Å²	58	47 Å²	47	38%	0.377	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-50.3	-40.6	-172.3	-33.8	37.4	0	0	0	117.1	Y167 A168 Y211 I214	P165-Y167 VanDerWaalsContact C-N 3.33Å; P165-Y167 PolarHBondContact O-N 2.6Å; P165-A168 PolarHBondContact O-N 3.04Å; P165-Y211 HydrophobicContact CB-CE1 4.1Å; P165-I214 WeakPolarHBondContact O-CD1 3.15Å
166	A	84.5	Confident	72.6	Confident	14 Å²	14	44.9 Å²	44.9	12%	0.116	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-71.4	-24.3	-177.4	0	0	0	0	0	114.2	S164 L200	S164-A166 PolarHBondContact O-N 2.95Å; S164-A166 VanDerWaalsContact O-N 3.12Å; A166-L200 HydrophobicContact CB-CD1 3.57Å; A166-L200 HydrophobicContact CB-CD2 3.9Å; A166-L200 HydrophobicContact CB-CG 4.37Å
167	Y	90	Very high	74.4	Confident	6 Å²	6	47.7 Å²	47.7	2%	0.024	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-98.7	-5.9	179	-60.2	-85.3	0	0	0	112.5	K127 P128 S164 P165 S187 V190 L200 W630	K127-Y167 HydrophobicContact CB-CD1 4.32Å; K127-Y167 HydrophobicContact CB-CD2 3.75Å; K127-Y167 HydrophobicContact CB-CE1 4.48Å; K127-Y167 HydrophobicContact CB-CE2 3.89Å; K127-Y167 HydrophobicContact CB-CG 4Å; P128-Y167 VanDerWaalsContact CD-OH 3.25Å; P128-Y167 WeakPolarHBondContact CD-OH 3.37Å; P128-Y167 HydrophobicContact CG-CE1 4.33Å; P128-Y167 WeakPolarHBondContact CG-OH 3Å; S164-Y167 PolarHBondContact O-N 3.34Å; P165-Y167 VanDerWaalsContact C-N 3.33Å; P165-Y167 PolarHBondContact O-N 2.6Å; Y167-S187 WeakPolarHBondContact O-CB 3.17Å; Y167-S187 PolarHBondContact O-OG 3.14Å; Y167-V190 HydrophobicContact CD1-CB 3.87Å; Y167-V190 HydrophobicContact CD1-CG1 3.41Å; Y167-V190 VanDerWaalsContact CD1-CG1 3.41Å; Y167-V190 HydrophobicContact CE1-CB 4.32Å; Y167-V190 HydrophobicContact CE1-CG1 3.57Å; Y167-V190 HydrophobicContact CG-CG1 4.21Å; Y167-L200 HydrophobicContact CE1-CD2 4.21Å; Y167-L200 HydrophobicContact CE2-CD2 4.31Å; Y167-W630 AromaticContact CZ-NE1 3.87Å; Y167-W630 PolarHBondContact OH-NE1 3.01Å
168	A	89	Confident	75.7	Confident	10 Å²	10	43 Å²	43	8%	0.083	26%	0.255	C	S	.	.			trans	-73	138.9	-179.6	0	0	0	0	0	111.6	S164 P165 L172 I173 W186	S164-A168 PolarHBondContact O-N 3.27Å; P165-A168 PolarHBondContact O-N 3.04Å; A168-L172 HydrophobicContact CB-CD2 4.26Å; A168-I173 HydrophobicContact CB-CD1 4.04Å; A168-I173 HydrophobicContact CB-CG1 3.93Å; A168-W186 PolarHBondContact O-NE1 3.07Å; A168-W186 VanDerWaalsContact O-NE1 3.1Å
169	A	93.2	Very high	77.1	Confident	1 Å²	1	41.8 Å²	41.8	1%	0.008	25%	0.249	C	C	.	.			trans	-74.9	152.9	178.2	0	0	0	0	0	112.3	E171 L172 I173 A183 W186	A169-E171 VanDerWaalsContact C-N 3.27Å; A169-E171 VanDerWaalsContact CB-CD 3.42Å; A169-E171 HydrophobicContact CB-CG 4.36Å; A169-E171 VanDerWaalsContact CB-OE1 3.26Å; A169-E171 WeakPolarHBondContact CB-OE1 3.4Å; A169-E171 WeakPolarHBondContact CB-OE2 3.36Å; A169-E171 PolarHBondContact O-N 3.36Å; A169-L172 WeakPolarHBondContact O-CB 3.37Å; A169-L172 PolarHBondContact O-N 3.48Å; A169-I173 PolarHBondContact O-N 3.46Å; A169-A183 HydrophobicContact CB-CB 4.14Å; A169-W186 VanDerWaalsContact CA-CD1 3.49Å; A169-W186 HydrophobicContact CB-CB 3.81Å; A169-W186 HydrophobicContact CB-CD2 4.38Å; A169-W186 HydrophobicContact CB-CG 3.76Å
170	P	93.7	Very high	79	Confident	4 Å²	4	35 Å²	35	3%	0.026	22%	0.219	C	C	.	.	H	α-helix	trans	-55.8	-37.9	-178.9	-26.9	35.2	0	0	0	113.8	L172 I173 S174 W186 I214 M215 T239	P170-L172 VanDerWaalsContact C-N 3.3Å; P170-L172 PolarHBondContact O-N 2.7Å; P170-I173 PolarHBondContact O-N 3.09Å; P170-S174 WeakPolarHBondContact O-CB 3.34Å; P170-S174 PolarHBondContact O-N 3.47Å; P170-S174 PolarHBondContact O-OG 2.97Å; P170-W186 HydrophobicContact CG-CE3 4.23Å; P170-W186 HydrophobicContact CG-CH2 3.68Å; P170-W186 HydrophobicContact CG-CZ2 3.99Å; P170-W186 HydrophobicContact CG-CZ3 3.8Å; P170-I214 HydrophobicContact CB-CG2 4.42Å; P170-I214 HydrophobicContact CG-CG2 3.82Å; P170-I214 WeakPolarHBondContact CG-O 3.3Å; P170-M215 HydrophobicContact CB-SD 3.78Å; P170-T239 HydrophobicContact CG-CG2 4.16Å
171	E	92.4	Very high	81	Confident	11 Å²	11	33.1 Å²	33.1	5%	0.051	21%	0.206	C	C	.	.	H	α-helix	trans	-63.2	-33.5	175.8	63.4	-84	-165.7	0	0	113	A169 S174 G175 K176 Y178 R244	A169-E171 VanDerWaalsContact C-N 3.27Å; A169-E171 VanDerWaalsContact CB-CD 3.42Å; A169-E171 HydrophobicContact CB-CG 4.36Å; A169-E171 VanDerWaalsContact CB-OE1 3.26Å; A169-E171 WeakPolarHBondContact CB-OE1 3.4Å; A169-E171 WeakPolarHBondContact CB-OE2 3.36Å; A169-E171 PolarHBondContact O-N 3.36Å; E171-S174 WeakPolarHBondContact CA-OG 3.5Å; E171-S174 PolarHBondContact O-OG 2.99Å; E171-G175 PolarHBondContact O-N 3.09Å; E171-K176 WeakPolarHBondContact O-CB 3.47Å; E171-K176 PolarHBondContact O-N 2.99Å; E171-Y178 HydrophobicContact CG-CG 4.49Å; E171-R244 IonicContact OE1-CZ 3.62Å; E171-R244 IonicContact OE1-NH1 2.7Å; E171-R244 PolarHBondContact OE1-NH1 3.44Å; E171-R244 IonicContact OE1-NH2 2.65Å; E171-R244 PolarHBondContact OE1-NH2 2.97Å; E171-R244 IonicContact OE2-CZ 2.67Å; E171-R244 IonicContact OE2-NH1 3.57Å; E171-R244 IonicContact OE2-NH2 2.69Å; E171-R244 PolarHBondContact OE2-NH2 3.19Å
172	L	88.1	Confident	83.2	Confident	14 Å²	14	31 Å²	31	7%	0.073	19%	0.188	C	C	.	.	H	α-helix	trans	-76.1	-43	177.5	-167.5	159.8	0	0	0	110.9	C161 A168 A169 P170 S174 G175 Y178	C161-L172 HydrophobicContact CB-CD2 3.98Å; C161-L172 PolarHBondContact SG-O 3.19Å; A168-L172 HydrophobicContact CB-CD2 4.26Å; A169-L172 WeakPolarHBondContact O-CB 3.37Å; A169-L172 PolarHBondContact O-N 3.48Å; P170-L172 VanDerWaalsContact C-N 3.3Å; P170-L172 PolarHBondContact O-N 2.7Å; L172-S174 VanDerWaalsContact C-N 3.34Å; L172-S174 PolarHBondContact O-N 3.05Å; L172-G175 PolarHBondContact O-N 2.66Å; L172-Y178 HydrophobicContact CD1-CE1 4.11Å; L172-Y178 HydrophobicContact CD1-CE2 4.16Å; L172-Y178 HydrophobicContact CG-CE1 4.04Å
173	I	85.8	Confident	85.1	Confident	39 Å²	39	30.4 Å²	30.4	20%	0.2	19%	0.185	C	C	.	.	H	α-helix	trans	-64.1	-38.4	176.6	-70	160.6	0	0	0	111.6	A168 A169 P170 G175 Y211 I214	A168-I173 HydrophobicContact CB-CD1 4.04Å; A168-I173 HydrophobicContact CB-CG1 3.93Å; A169-I173 PolarHBondContact O-N 3.46Å; P170-I173 PolarHBondContact O-N 3.09Å; I173-G175 PolarHBondContact O-N 3.49Å; I173-Y211 HydrophobicContact CB-CD1 4.48Å; I173-Y211 HydrophobicContact CD1-CD1 3.94Å; I173-Y211 HydrophobicContact CD1-CE1 4.29Å; I173-Y211 HydrophobicContact CG1-CD1 4.05Å; I173-Y211 HydrophobicContact CG1-CE1 4.06Å; I173-Y211 HydrophobicContact CG2-CD1 3.58Å; I173-Y211 HydrophobicContact CG2-CD2 4.25Å; I173-Y211 HydrophobicContact CG2-CE1 4.08Å; I173-Y211 HydrophobicContact CG2-CG 3.68Å; I173-I214 HydrophobicContact CD1-CB 3.93Å; I173-I214 HydrophobicContact CD1-CD1 3.62Å; I173-I214 HydrophobicContact CD1-CG1 4.37Å; I173-I214 HydrophobicContact CD1-CG2 3.44Å; I173-I214 VanDerWaalsContact CD1-CG2 3.44Å
174	S	85.9	Confident	86.9	Confident	48 Å²	48	28.8 Å²	28.8	34%	0.336	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	3.1	174.7	55.6	0	0	0	0	114.1	P170 E171 L172 K176	P170-S174 WeakPolarHBondContact O-CB 3.34Å; P170-S174 PolarHBondContact O-N 3.47Å; P170-S174 PolarHBondContact O-OG 2.97Å; E171-S174 WeakPolarHBondContact CA-OG 3.5Å; E171-S174 PolarHBondContact O-OG 2.99Å; L172-S174 VanDerWaalsContact C-N 3.34Å; L172-S174 PolarHBondContact O-N 3.05Å; S174-K176 PolarHBondContact O-N 2.99Å; S174-K176 WeakPolarHBondContact OG-CD 3.26Å
175	G	80.9	Confident	88.3	Confident	50 Å²	50	27.2 Å²	27.2	52%	0.515	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.6	20.3	177.3	0	0	0	0	0	114	E171 L172 I173	E171-G175 PolarHBondContact O-N 3.09Å; L172-G175 PolarHBondContact O-N 2.66Å; I173-G175 PolarHBondContact O-N 3.49Å
176	K	80.2	Confident	89.3	Confident	129 Å²	129	24.5 Å²	24.5	56%	0.561	14%	0.139	S	C	*	.			trans	-78.5	161.8	-179.9	-66.5	178.8	-176.6	177.5	0	111	E171 S174 Y178	E171-K176 WeakPolarHBondContact O-CB 3.47Å; E171-K176 PolarHBondContact O-N 2.99Å; S174-K176 PolarHBondContact O-N 2.99Å; S174-K176 WeakPolarHBondContact OG-CD 3.26Å; K176-Y178 PolarHBondContact O-N 3.01Å
177	E	81.3	Confident	89.9	Confident	97 Å²	97	24.1 Å²	24.1	45%	0.453	14%	0.135	S	C	.	.			trans	-65	120.8	165.5	-94.4	177.3	-134.1	0	0	110.3	F157 K159	F157-E177 HydrophobicContact CB-CB 3.5Å; F157-E177 HydrophobicContact CB-CG 3.64Å; F157-E177 HydrophobicContact CD1-CB 4.02Å; F157-E177 HydrophobicContact CD2-CB 4.34Å; F157-E177 HydrophobicContact CG-CB 3.73Å; F157-E177 HydrophobicContact CG-CG 4.31Å; K159-E177 HydrophobicContact CD-CG 4.32Å; K159-E177 WeakPolarHBondContact CE-OE1 3.38Å; K159-E177 HydrophobicContact CG-CG 3.98Å; K159-E177 IonicContact NZ-OE1 2.6Å; K159-E177 PolarHBondContact NZ-OE1 3.13Å
178	Y	84.9	Confident	90.3	Very high	6 Å²	6	23.9 Å²	23.9	2%	0.024	14%	0.135	C	C	.	.	B	Isolated β-bridge	trans	-129.3	150.8	-174.4	69	-86.8	0	0	0	113.7	R124 F157 L158 T160 E171 L172 K176 A183	R124-Y178 PolarHBondContact NH1-OH 2.85Å; F157-Y178 WeakPolarHBondContact CA-O 3.29Å; L158-Y178 HydrophobicContact CB-CD1 4.33Å; L158-Y178 HydrophobicContact CB-CD2 4.48Å; L158-Y178 HydrophobicContact CB-CE1 3.91Å; L158-Y178 HydrophobicContact CB-CE2 4.06Å; L158-Y178 HydrophobicContact CD1-CE2 4.07Å; L158-Y178 PolarHBondContact N-O 3.4Å; L158-Y178 VanDerWaalsContact O-CD1 3.24Å; L158-Y178 WeakPolarHBondContact O-CD1 3.4Å; L158-Y178 WeakPolarHBondContact O-CE1 3.46Å; L158-Y178 PolarHBondContact O-N 3.22Å; T160-Y178 PolarHBondContact O-OH 2.63Å; E171-Y178 HydrophobicContact CG-CG 4.49Å; L172-Y178 HydrophobicContact CD1-CE1 4.11Å; L172-Y178 HydrophobicContact CD1-CE2 4.16Å; L172-Y178 HydrophobicContact CG-CE1 4.04Å; K176-Y178 PolarHBondContact O-N 3.01Å; Y178-A183 HydrophobicContact CD2-CB 3.98Å; Y178-A183 HydrophobicContact CE2-CB 4.3Å
179	C	87	Confident	90.7	Very high	3 Å²	3	23.4 Å²	23.4	2%	0.02	13%	0.131	C	C	.	.			trans	-85.7	128	169.7	-53.6	0	0	0	0	109.1	K155 N181 E182 A183 K242	K155-C179 PolarHBondContact O-SG 3.14Å; C179-N181 VanDerWaalsContact C-N 3.31Å; C179-N181 WeakPolarHBondContact CB-OD1 3.37Å; C179-N181 PolarHBondContact O-N 2.79Å; C179-E182 HydrophobicContact CB-CB 4.34Å; C179-E182 HydrophobicContact CB-CG 4.06Å; C179-E182 WeakPolarHBondContact CB-OE2 3.3Å; C179-E182 PolarHBondContact O-N 3.25Å; C179-A183 PolarHBondContact O-N 3.05Å; C179-K242 PolarHBondContact SG-NZ 2.79Å
180	G	88	Confident	90.9	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-63.3	-33.7	-170.5	0	0	0	0	0	114.3	D184	G180-D184 PolarHBondContact O-N 2.76Å; G180-D184 VanDerWaalsContact O-N 3.08Å
181	N	92.5	Very high	91	Very high	39 Å²	39	23.2 Å²	23.2	21%	0.209	13%	0.129	C	C	.	.	H	α-helix	trans	-69.1	-38.6	177.3	62.5	-51.3	0	0	0	113.1	H117 L154 C179 A183 D184 I185	H117-N181 VanDerWaalsContact CE1-CA 3.49Å; H117-N181 WeakPolarHBondContact CE1-CA 3.43Å; H117-N181 VanDerWaalsContact CE1-CB 3.49Å; H117-N181 WeakPolarHBondContact CE1-CB 3.37Å; L154-N181 HydrophobicContact CD2-CB 3.66Å; L154-N181 HydrophobicContact CG-CB 3.94Å; C179-N181 VanDerWaalsContact C-N 3.31Å; C179-N181 WeakPolarHBondContact CB-OD1 3.37Å; C179-N181 PolarHBondContact O-N 2.79Å; N181-A183 VanDerWaalsContact C-N 3.31Å; N181-D184 PolarHBondContact O-N 2.66Å; N181-I185 WeakPolarHBondContact O-CG1 3.37Å; N181-I185 PolarHBondContact O-N 3.31Å
182	E	95.3	Very high	91.2	Very high	36 Å²	36	22.7 Å²	22.7	17%	0.168	13%	0.127	C	C	.	.	H	α-helix	trans	-65.2	-40.3	178.7	-66.3	170	177.8	0	0	109.8	C179 I185 W186 P241 K242 R244	C179-E182 HydrophobicContact CB-CB 4.34Å; C179-E182 HydrophobicContact CB-CG 4.06Å; C179-E182 WeakPolarHBondContact CB-OE2 3.3Å; C179-E182 PolarHBondContact O-N 3.25Å; E182-I185 PolarHBondContact O-N 3.08Å; E182-W186 PolarHBondContact O-N 3.18Å; E182-P241 HydrophobicContact CB-CB 4Å; E182-K242 IonicContact OE1-NZ 2.68Å; E182-K242 PolarHBondContact OE1-NZ 3.1Å; E182-K242 IonicContact OE2-NZ 3.42Å; E182-K242 PolarHBondContact OE2-NZ 3.42Å; E182-R244 VanDerWaalsContact C-NH1 3.29Å; E182-R244 WeakPolarHBondContact O-CD 3.4Å; E182-R244 PolarHBondContact O-NH1 3.06Å
183	A	93.5	Very high	91.6	Very high	3 Å²	3	22 Å²	22	3%	0.025	12%	0.123	C	C	.	.	H	α-helix	trans	-64.5	-41.8	173.5	0	0	0	0	0	112.8	A169 Y178 C179 N181 I185 W186 S187	A169-A183 HydrophobicContact CB-CB 4.14Å; Y178-A183 HydrophobicContact CD2-CB 3.98Å; Y178-A183 HydrophobicContact CE2-CB 4.3Å; C179-A183 PolarHBondContact O-N 3.05Å; N181-A183 VanDerWaalsContact C-N 3.31Å; A183-I185 VanDerWaalsContact C-N 3.29Å; A183-I185 PolarHBondContact O-N 2.76Å; A183-W186 WeakPolarHBondContact O-CB 3.42Å; A183-W186 PolarHBondContact O-N 3.4Å; A183-W186 VanDerWaalsContact O-N 3.13Å; A183-S187 PolarHBondContact O-N 2.83Å; A183-S187 VanDerWaalsContact O-N 3.12Å; A183-S187 PolarHBondContact O-OG 2.93Å
184	D	94.8	Very high	92	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-58.2	-38.5	175.8	-79.3	-21.9	0	0	0	112.2	V113 H117 A122 H123 R124 L126 G180 N181 W186 S187 M188	V113-D184 HydrophobicContact CG1-CB 4.23Å; H117-D184 IonicContact CD2-OD2 2.88Å; H117-D184 IonicContact CE1-OD2 2.71Å; H117-D184 IonicContact NE2-OD2 2.79Å; H117-D184 PolarHBondContact NE2-OD2 3.01Å; A122-D184 WeakPolarHBondContact CA-OD2 3.39Å; H123-D184 PolarHBondContact N-OD1 2.82Å; H123-D184 PolarHBondContact N-OD2 2.82Å; R124-D184 WeakPolarHBondContact CA-OD1 3.44Å; R124-D184 PolarHBondContact N-OD1 3.47Å; L126-D184 HydrophobicContact CD1-CB 3.73Å; G180-D184 PolarHBondContact O-N 2.76Å; G180-D184 VanDerWaalsContact O-N 3.08Å; N181-D184 PolarHBondContact O-N 2.66Å; D184-W186 PolarHBondContact O-N 2.89Å; D184-S187 PolarHBondContact O-N 2.9Å; D184-M188 WeakPolarHBondContact O-CG 3.43Å; D184-M188 PolarHBondContact O-N 3.23Å
185	I	97.8	Very high	92.4	Very high	4 Å²	4	17.9 Å²	17.9	2%	0.021	10%	0.098	C	C	.	.	H	α-helix	trans	-64.1	-39.1	176.2	-60.3	-54.8	0	0	0	112	N181 E182 A183 M188 G189 M236 R244 I245 A247 L250	N181-I185 WeakPolarHBondContact O-CG1 3.37Å; N181-I185 PolarHBondContact O-N 3.31Å; E182-I185 PolarHBondContact O-N 3.08Å; A183-I185 VanDerWaalsContact C-N 3.29Å; A183-I185 PolarHBondContact O-N 2.76Å; I185-M188 HydrophobicContact CD1-SD 4.03Å; I185-M188 WeakPolarHBondContact O-CB 3.31Å; I185-M188 PolarHBondContact O-N 3.27Å; I185-G189 PolarHBondContact O-N 3.18Å; I185-M236 HydrophobicContact CG2-CB 4.27Å; I185-M236 HydrophobicContact CG2-CE 3.94Å; I185-M236 HydrophobicContact CG2-CG 4.27Å; I185-R244 HydrophobicContact CB-CG 4.35Å; I185-R244 HydrophobicContact CG2-CG 3.86Å; I185-I245 HydrophobicContact CG2-CG2 4.04Å; I185-I245 WeakPolarHBondContact CG2-O 3.33Å; I185-A247 HydrophobicContact CD1-CB 4.16Å; I185-L250 HydrophobicContact CD1-CD1 3.9Å
186	W	97.4	Very high	93.1	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-61.5	-48.4	175.1	173.5	-82.1	0	0	0	110.7	A168 A169 P170 E182 A183 D184 M188 G189 V190 F202 I214 L237 T239	A168-W186 PolarHBondContact O-NE1 3.07Å; A168-W186 VanDerWaalsContact O-NE1 3.1Å; A169-W186 VanDerWaalsContact CA-CD1 3.49Å; A169-W186 HydrophobicContact CB-CB 3.81Å; A169-W186 HydrophobicContact CB-CD2 4.38Å; A169-W186 HydrophobicContact CB-CG 3.76Å; P170-W186 HydrophobicContact CG-CE3 4.23Å; P170-W186 HydrophobicContact CG-CH2 3.68Å; P170-W186 HydrophobicContact CG-CZ2 3.99Å; P170-W186 HydrophobicContact CG-CZ3 3.8Å; E182-W186 PolarHBondContact O-N 3.18Å; A183-W186 WeakPolarHBondContact O-CB 3.42Å; A183-W186 PolarHBondContact O-N 3.4Å; A183-W186 VanDerWaalsContact O-N 3.13Å; D184-W186 PolarHBondContact O-N 2.89Å; W186-M188 VanDerWaalsContact C-N 3.27Å; W186-M188 PolarHBondContact O-N 3.47Å; W186-G189 WeakPolarHBondContact O-CA 3.47Å; W186-G189 PolarHBondContact O-N 3.39Å; W186-V190 PolarHBondContact O-N 3.04Å; W186-F202 AromaticContact CH2-CE2 3.82Å; W186-F202 HydrophobicContact CH2-CE2 3.82Å; W186-F202 AromaticContact CH2-CZ 3.79Å; W186-F202 HydrophobicContact CH2-CZ 3.79Å; W186-F202 HydrophobicContact CZ2-CD2 4.03Å; W186-F202 AromaticContact CZ2-CE2 3.29Å; W186-F202 HydrophobicContact CZ2-CE2 3.29Å; W186-F202 AromaticContact CZ2-CZ 3.77Å; W186-F202 HydrophobicContact CZ2-CZ 3.77Å; W186-I214 HydrophobicContact CH2-CG2 4.43Å; W186-I214 HydrophobicContact CZ2-CG2 3.72Å; W186-L237 HydrophobicContact CD2-CD2 3.94Å; W186-L237 HydrophobicContact CE3-CB 4.49Å; W186-L237 HydrophobicContact CE3-CD2 4.08Å; W186-L237 HydrophobicContact CG-CD2 4.44Å; W186-L237 HydrophobicContact CH2-CD2 4.42Å; W186-L237 HydrophobicContact CZ2-CD2 4.28Å; W186-L237 VanDerWaalsContact CZ3-C 3.49Å; W186-L237 HydrophobicContact CZ3-CB 4.22Å; W186-L237 HydrophobicContact CZ3-CD2 4.33Å; W186-L237 WeakPolarHBondContact CZ3-O 3.28Å; W186-T239 HydrophobicContact CH2-CG2 4.32Å; W186-T239 HydrophobicContact CZ3-CG2 4.24Å
187	S	96	Very high	93.8	Very high	7 Å²	7	10.8 Å²	10.8	5%	0.049	6%	0.055	C	C	.	.	H	α-helix	trans	-59.6	-37.7	177.1	-54.4	0	0	0	0	112	Y167 A183 D184 V190 L191	Y167-S187 WeakPolarHBondContact O-CB 3.17Å; Y167-S187 PolarHBondContact O-OG 3.14Å; A183-S187 PolarHBondContact O-N 2.83Å; A183-S187 VanDerWaalsContact O-N 3.12Å; A183-S187 PolarHBondContact O-OG 2.93Å; D184-S187 PolarHBondContact O-N 2.9Å; S187-V190 PolarHBondContact O-N 2.95Å; S187-L191 VanDerWaalsContact O-CB 3.27Å; S187-L191 WeakPolarHBondContact O-CB 3.43Å; S187-L191 PolarHBondContact O-N 3.41Å
188	M	97.8	Very high	94.2	Very high	1 Å²	1	6.2 Å²	6.2	1%	0.005	3%	0.034	C	C	.	.	H	α-helix	trans	-64.4	-35.3	170.5	-71.8	172.4	59.9	0	0	113	F106 I109 I110 V113 L126 D184 I185 W186 L191 L192 M236 L250	F106-M188 HydrophobicContact CE2-CB 4.36Å; F106-M188 VanDerWaalsContact CE2-O 3.28Å; F106-M188 WeakPolarHBondContact CE2-O 3.5Å; F106-M188 HydrophobicContact CZ-CB 4.06Å; F106-M188 HydrophobicContact CZ-CE 4.18Å; F106-M188 WeakPolarHBondContact CZ-O 3.32Å; I109-M188 HydrophobicContact CG2-CE 4.21Å; I109-M188 HydrophobicContact CG2-CG 4.09Å; I109-M188 HydrophobicContact CG2-SD 4.48Å; I110-M188 HydrophobicContact CB-CE 4.24Å; I110-M188 HydrophobicContact CG1-CE 3.53Å; V113-M188 HydrophobicContact CB-SD 3.78Å; V113-M188 HydrophobicContact CG1-SD 3.66Å; V113-M188 HydrophobicContact CG2-CG 4.44Å; V113-M188 HydrophobicContact CG2-SD 3.84Å; L126-M188 HydrophobicContact CD1-CG 3.79Å; L126-M188 HydrophobicContact CD1-SD 4.36Å; D184-M188 WeakPolarHBondContact O-CG 3.43Å; D184-M188 PolarHBondContact O-N 3.23Å; I185-M188 HydrophobicContact CD1-SD 4.03Å; I185-M188 WeakPolarHBondContact O-CB 3.31Å; I185-M188 PolarHBondContact O-N 3.27Å; W186-M188 VanDerWaalsContact C-N 3.27Å; W186-M188 PolarHBondContact O-N 3.47Å; M188-L191 WeakPolarHBondContact O-CB 3.35Å; M188-L191 PolarHBondContact O-N 3.18Å; M188-L192 PolarHBondContact O-N 3.25Å; M188-M236 HydrophobicContact CB-CE 3.49Å; M188-M236 VanDerWaalsContact CB-CE 3.49Å; M188-M236 HydrophobicContact CE-CE 4.19Å; M188-L250 HydrophobicContact CE-CD1 3.9Å
189	G	98	Very high	94.5	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-65.4	-44.6	174.3	0	0	0	0	0	112.4	I185 W186 L191 L192 Y193	I185-G189 PolarHBondContact O-N 3.18Å; W186-G189 WeakPolarHBondContact O-CA 3.47Å; W186-G189 PolarHBondContact O-N 3.39Å; G189-L191 VanDerWaalsContact C-N 3.28Å; G189-L191 PolarHBondContact O-N 2.98Å; G189-L192 PolarHBondContact O-N 3.14Å; G189-Y193 PolarHBondContact O-N 3.2Å
190	V	96.8	Very high	94.7	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-61.9	-39.4	174.2	178.9	0	0	0	0	110.8	Y167 W186 S187 T194 L200 P201 F202 L237	Y167-V190 HydrophobicContact CD1-CB 3.87Å; Y167-V190 HydrophobicContact CD1-CG1 3.41Å; Y167-V190 VanDerWaalsContact CD1-CG1 3.41Å; Y167-V190 HydrophobicContact CE1-CB 4.32Å; Y167-V190 HydrophobicContact CE1-CG1 3.57Å; Y167-V190 HydrophobicContact CG-CG1 4.21Å; W186-V190 PolarHBondContact O-N 3.04Å; S187-V190 PolarHBondContact O-N 2.95Å; V190-T194 WeakPolarHBondContact O-CB 3.35Å; V190-T194 PolarHBondContact O-N 2.8Å; V190-T194 PolarHBondContact O-OG1 2.94Å; V190-L200 HydrophobicContact CG1-CD2 3.89Å; V190-P201 HydrophobicContact CB-CG 4.3Å; V190-P201 HydrophobicContact CG1-CG 3.94Å; V190-P201 HydrophobicContact CG2-CG 4.2Å; V190-F202 HydrophobicContact CG2-CD2 4.47Å; V190-F202 HydrophobicContact CG2-CE2 4.33Å; V190-L237 HydrophobicContact CG2-CD2 3.83Å
191	L	95.5	Very high	95	Very high	1 Å²	1	11.2 Å²	11.2	1%	0.005	5%	0.054	C	C	.	.	H	α-helix	trans	-66.9	-41.6	175.8	175.2	64	0	0	0	113	I109 P128 L131 S187 M188 G189 T194 L195	I109-L191 HydrophobicContact CD1-CD2 3.65Å; I109-L191 HydrophobicContact CD1-CG 4.27Å; I109-L191 HydrophobicContact CG1-CD2 4.32Å; I109-L191 HydrophobicContact CG2-CD2 4.05Å; P128-L191 HydrophobicContact CB-CD1 4.49Å; P128-L191 HydrophobicContact CG-CD1 3.67Å; L131-L191 HydrophobicContact CD1-CD1 3.9Å; L131-L191 HydrophobicContact CD1-CD2 3.47Å; L131-L191 VanDerWaalsContact CD1-CD2 3.47Å; L131-L191 HydrophobicContact CD1-CG 4.33Å; S187-L191 VanDerWaalsContact O-CB 3.27Å; S187-L191 WeakPolarHBondContact O-CB 3.43Å; S187-L191 PolarHBondContact O-N 3.41Å; M188-L191 WeakPolarHBondContact O-CB 3.35Å; M188-L191 PolarHBondContact O-N 3.18Å; G189-L191 VanDerWaalsContact C-N 3.28Å; G189-L191 PolarHBondContact O-N 2.98Å; L191-T194 WeakPolarHBondContact O-CB 3.09Å; L191-T194 PolarHBondContact O-N 3.03Å; L191-L195 HydrophobicContact CD1-CD1 4.37Å; L191-L195 HydrophobicContact CD1-CG 4.48Å; L191-L195 HydrophobicContact CG-CD1 4.18Å; L191-L195 WeakPolarHBondContact O-CB 3.45Å; L191-L195 WeakPolarHBondContact O-CG 3.45Å; L191-L195 PolarHBondContact O-N 3.5Å
192	L	97.4	Very high	95.1	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-62	-44.6	174.3	-179.2	57.9	0	0	0	111.3	F106 M188 G189 T194 L195 L196 L232 L233 M236 W255	F106-L192 HydrophobicContact CB-CD1 4.44Å; F106-L192 HydrophobicContact CD1-CD1 4.08Å; F106-L192 HydrophobicContact CD1-CD2 4.43Å; F106-L192 HydrophobicContact CD2-CB 4.18Å; F106-L192 HydrophobicContact CD2-CD1 4.07Å; F106-L192 HydrophobicContact CE1-CB 4.28Å; F106-L192 HydrophobicContact CE1-CD1 4.33Å; F106-L192 HydrophobicContact CE1-CD2 4Å; F106-L192 HydrophobicContact CE1-CG 4.44Å; F106-L192 HydrophobicContact CE2-CB 3.65Å; F106-L192 HydrophobicContact CE2-CD1 4.34Å; F106-L192 HydrophobicContact CE2-CG 4.46Å; F106-L192 HydrophobicContact CG-CD1 3.94Å; F106-L192 HydrophobicContact CZ-CB 3.69Å; F106-L192 HydrophobicContact CZ-CD1 4.45Å; F106-L192 HydrophobicContact CZ-CD2 4.2Å; F106-L192 HydrophobicContact CZ-CG 4.32Å; M188-L192 PolarHBondContact O-N 3.25Å; G189-L192 PolarHBondContact O-N 3.14Å; L192-T194 VanDerWaalsContact C-N 3.33Å; L192-T194 PolarHBondContact O-N 2.8Å; L192-L195 PolarHBondContact O-N 3.18Å; L192-L196 HydrophobicContact CD1-CD1 3.76Å; L192-L196 HydrophobicContact CD1-CG 4.25Å; L192-L196 HydrophobicContact CG-CD1 3.94Å; L192-L196 WeakPolarHBondContact O-CG 3.45Å; L192-L196 PolarHBondContact O-N 2.9Å; L192-L196 VanDerWaalsContact O-N 3.12Å; L192-L232 HydrophobicContact CD2-CD2 3.61Å; L192-L232 HydrophobicContact CD2-CG 3.85Å; L192-L233 HydrophobicContact CB-CD2 4.03Å; L192-L233 HydrophobicContact CD2-CD2 3.91Å; L192-L233 HydrophobicContact CD2-CG 4.28Å; L192-L233 HydrophobicContact CG-CD2 3.93Å; L192-M236 HydrophobicContact CD2-SD 4.36Å; L192-W255 HydrophobicContact CD1-CH2 3.71Å; L192-W255 HydrophobicContact CD1-CZ3 3.86Å
193	Y	97.2	Very high	94.7	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-59.3	-46.4	174.9	-168.2	-83.9	0	0	0	111.3	G189 L195 L196 C197 R199 P201 Y219 D220 L233	G189-Y193 PolarHBondContact O-N 3.2Å; Y193-L195 PolarHBondContact O-N 3.35Å; Y193-L196 PolarHBondContact O-N 2.94Å; Y193-C197 HydrophobicContact CD1-CB 4.02Å; Y193-C197 HydrophobicContact CE1-CB 3.73Å; Y193-C197 VanDerWaalsContact O-CB 3.3Å; Y193-C197 WeakPolarHBondContact O-CB 3.44Å; Y193-C197 PolarHBondContact O-N 3.41Å; Y193-C197 PolarHBondContact O-SG 2.86Å; Y193-R199 WeakPolarHBondContact CD1-O 3.43Å; Y193-R199 HydrophobicContact CE1-CG 4.17Å; Y193-P201 HydrophobicContact CD1-CB 3.65Å; Y193-P201 HydrophobicContact CD1-CG 4.01Å; Y193-P201 HydrophobicContact CD2-CB 4.03Å; Y193-P201 HydrophobicContact CE1-CB 3.92Å; Y193-P201 HydrophobicContact CE2-CB 4.29Å; Y193-P201 HydrophobicContact CG-CB 3.7Å; Y193-P201 HydrophobicContact CG-CG 4.03Å; Y193-Y219 AromaticContact CD2-CD2 3.93Å; Y193-Y219 HydrophobicContact CD2-CD2 3.93Å; Y193-Y219 HydrophobicContact CD2-CE2 4.15Å; Y193-Y219 AromaticContact CE2-CD2 3.58Å; Y193-Y219 HydrophobicContact CE2-CD2 3.58Å; Y193-Y219 HydrophobicContact CE2-CE2 4.08Å; Y193-D220 WeakPolarHBondContact CE2-O 3.36Å; Y193-D220 PolarHBondContact OH-O 3.3Å; Y193-L233 HydrophobicContact CD2-CD1 4.05Å; Y193-L233 HydrophobicContact CD2-CD2 4.43Å
194	T	93.9	Very high	94.3	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-59.5	-44.9	177.5	-59	0	0	0	0	112.1	I91 P128 V190 L191 L192 L196 G198 W630	I91-T194 HydrophobicContact CD1-CG2 4.16Å; I91-T194 HydrophobicContact CG2-CG2 4.45Å; P128-T194 HydrophobicContact CG-CG2 4.29Å; V190-T194 WeakPolarHBondContact O-CB 3.35Å; V190-T194 PolarHBondContact O-N 2.8Å; V190-T194 PolarHBondContact O-OG1 2.94Å; L191-T194 WeakPolarHBondContact O-CB 3.09Å; L191-T194 PolarHBondContact O-N 3.03Å; L192-T194 VanDerWaalsContact C-N 3.33Å; L192-T194 PolarHBondContact O-N 2.8Å; T194-L196 VanDerWaalsContact C-N 3.31Å; T194-L196 PolarHBondContact O-N 2.79Å; T194-G198 PolarHBondContact O-N 2.86Å; T194-G198 VanDerWaalsContact O-N 3.1Å; T194-W630 HydrophobicContact CG2-CH2 3.95Å; T194-W630 HydrophobicContact CG2-CZ2 3.54Å
195	L	95	Very high	93.4	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-58.8	-41.6	177.1	-80.2	160.3	0	0	0	111.8	L87 I91 G96 L97 A102 F105 F106 I109 L191 L192 Y193	L87-L195 HydrophobicContact CD1-CD2 4.23Å; L87-L195 HydrophobicContact CD2-CD2 4.22Å; L87-L195 HydrophobicContact CG-CD2 4.37Å; I91-L195 HydrophobicContact CD1-CD2 3.61Å; I91-L195 HydrophobicContact CD1-CG 3.98Å; I91-L195 HydrophobicContact CG1-CD2 3.89Å; G96-L195 CarbonylContact C-O 3.53Å; L97-L195 WeakPolarHBondContact CB-O 3.36Å; L97-L195 HydrophobicContact CD1-CD2 3.64Å; L97-L195 WeakPolarHBondContact CG-O 3.28Å; L97-L195 PolarHBondContact N-O 2.9Å; A102-L195 HydrophobicContact CB-CB 4.37Å; F105-L195 HydrophobicContact CB-CD2 4.47Å; F106-L195 HydrophobicContact CD2-CD1 3.95Å; I109-L195 HydrophobicContact CD1-CD1 4.17Å; L191-L195 HydrophobicContact CD1-CD1 4.37Å; L191-L195 HydrophobicContact CD1-CG 4.48Å; L191-L195 HydrophobicContact CG-CD1 4.18Å; L191-L195 WeakPolarHBondContact O-CB 3.45Å; L191-L195 WeakPolarHBondContact O-CG 3.45Å; L191-L195 PolarHBondContact O-N 3.5Å; L192-L195 PolarHBondContact O-N 3.18Å; Y193-L195 PolarHBondContact O-N 3.35Å
196	L	95.5	Very high	92.4	Very high	13 Å²	13	22.3 Å²	22.3	7%	0.068	11%	0.114	C	C	.	.	H	α-helix	trans	-87.2	-33.1	-173.9	-68.2	168	0	0	0	114.1	E99 A102 L192 Y193 T194 L225 V229	E99-L196 HydrophobicContact CB-CD2 4.46Å; E99-L196 HydrophobicContact CG-CD2 3.97Å; A102-L196 HydrophobicContact CB-CD2 3.47Å; A102-L196 VanDerWaalsContact CB-CD2 3.47Å; A102-L196 HydrophobicContact CB-CG 4.13Å; L192-L196 HydrophobicContact CD1-CD1 3.76Å; L192-L196 HydrophobicContact CD1-CG 4.25Å; L192-L196 HydrophobicContact CG-CD1 3.94Å; L192-L196 WeakPolarHBondContact O-CG 3.45Å; L192-L196 PolarHBondContact O-N 2.9Å; L192-L196 VanDerWaalsContact O-N 3.12Å; Y193-L196 PolarHBondContact O-N 2.94Å; T194-L196 VanDerWaalsContact C-N 3.31Å; T194-L196 PolarHBondContact O-N 2.79Å; L196-L225 HydrophobicContact CB-CD2 4.12Å; L196-V229 HydrophobicContact CD1-CG1 3.58Å; L196-V229 HydrophobicContact CD1-CG2 4.09Å
197	C	94.1	Very high	91.4	Very high	17 Å²	17	25.5 Å²	25.5	12%	0.115	13%	0.134	C	C	.	.	H	α-helix	trans	-109.4	-3.3	-169.8	-55.2	0	0	0	0	113.9	Y193 R199	Y193-C197 HydrophobicContact CD1-CB 4.02Å; Y193-C197 HydrophobicContact CE1-CB 3.73Å; Y193-C197 VanDerWaalsContact O-CB 3.3Å; Y193-C197 WeakPolarHBondContact O-CB 3.44Å; Y193-C197 PolarHBondContact O-N 3.41Å; Y193-C197 PolarHBondContact O-SG 2.86Å; C197-R199 HydrophobicContact CB-CG 4.15Å; C197-R199 PolarHBondContact O-N 3.33Å
198	G	90.4	Very high	90.8	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.01	16%	0.156	C	C	.	.	S	Bend	trans	65.9	-2.1	-177.4	0	0	0	0	0	115.2	T194 W630 K633	T194-G198 PolarHBondContact O-N 2.86Å; T194-G198 VanDerWaalsContact O-N 3.1Å; G198-W630 WeakPolarHBondContact O-CH2 3.47Å; G198-K633 PolarHBondContact O-NZ 3.18Å
199	R	89.9	Confident	90.3	Very high	96 Å²	96	31.3 Å²	31.3	36%	0.362	17%	0.169	S	C	.	.	S	Bend	trans	-136.6	161.2	-175.2	70.5	-175.5	176.9	103.8	-16.8	111.4	Y193 C197 D220 W630	Y193-R199 WeakPolarHBondContact CD1-O 3.43Å; Y193-R199 HydrophobicContact CE1-CG 4.17Å; C197-R199 HydrophobicContact CB-CG 4.15Å; C197-R199 PolarHBondContact O-N 3.33Å; R199-D220 IonicContact CZ-OD2 3.37Å; R199-D220 VanDerWaalsContact CZ-OD2 3.23Å; R199-D220 IonicContact NH1-OD2 3.49Å; R199-D220 PolarHBondContact NH1-OD2 3.43Å; R199-D220 IonicContact NH2-OD2 3.7Å; R199-D220 PolarHBondContact NH2-OD2 2.89Å; R199-W630 VanDerWaalsContact CA-CH2 3.46Å
200	L	91.2	Very high	89.8	Confident	7 Å²	7	32.1 Å²	32.1	4%	0.037	17%	0.173	C	C	.	.			trans	-69.4	149.6	171.7	-74.7	168.7	0	0	0	111.9	A166 Y167 V190 D203 W630	A166-L200 HydrophobicContact CB-CD1 3.57Å; A166-L200 HydrophobicContact CB-CD2 3.9Å; A166-L200 HydrophobicContact CB-CG 4.37Å; Y167-L200 HydrophobicContact CE1-CD2 4.21Å; Y167-L200 HydrophobicContact CE2-CD2 4.31Å; V190-L200 HydrophobicContact CG1-CD2 3.89Å; L200-D203 HydrophobicContact CB-CB 3.95Å; L200-D203 HydrophobicContact CD1-CB 4.22Å; L200-W630 HydrophobicContact CB-CZ2 4.5Å; L200-W630 HydrophobicContact CD1-CD2 4.11Å; L200-W630 HydrophobicContact CD1-CG 4.28Å; L200-W630 HydrophobicContact CD1-CZ2 4.39Å; L200-W630 HydrophobicContact CD2-CZ2 3.84Å; L200-W630 HydrophobicContact CG-CD2 4.14Å; L200-W630 HydrophobicContact CG-CH2 4.21Å; L200-W630 HydrophobicContact CG-CZ2 3.54Å
201	P	95	Very high	89.4	Confident	10 Å²	10	36.6 Å²	36.6	7%	0.065	19%	0.191	C	C	.	.	S	Bend	trans	-74.2	-27.3	169.4	27.8	-30.3	0	0	0	112.8	V190 Y193 Y219	V190-P201 HydrophobicContact CB-CG 4.3Å; V190-P201 HydrophobicContact CG1-CG 3.94Å; V190-P201 HydrophobicContact CG2-CG 4.2Å; Y193-P201 HydrophobicContact CD1-CB 3.65Å; Y193-P201 HydrophobicContact CD1-CG 4.01Å; Y193-P201 HydrophobicContact CD2-CB 4.03Å; Y193-P201 HydrophobicContact CE1-CB 3.92Å; Y193-P201 HydrophobicContact CE2-CB 4.29Å; Y193-P201 HydrophobicContact CG-CB 3.7Å; Y193-P201 HydrophobicContact CG-CG 4.03Å; P201-Y219 HydrophobicContact CB-CD2 4.4Å; P201-Y219 HydrophobicContact CB-CG 4.1Å; P201-Y219 WeakPolarHBondContact O-CB 3.33Å
202	F	93.9	Very high	89.2	Confident	2 Å²	2	43.6 Å²	43.6	1%	0.009	22%	0.221	C	C	.	.	S	Bend	trans	-130.9	103.9	179	-42.1	-73.5	0	0	0	109	W186 V190 K213 I214 H218 Y219 L237	W186-F202 AromaticContact CH2-CE2 3.82Å; W186-F202 HydrophobicContact CH2-CE2 3.82Å; W186-F202 AromaticContact CH2-CZ 3.79Å; W186-F202 HydrophobicContact CH2-CZ 3.79Å; W186-F202 HydrophobicContact CZ2-CD2 4.03Å; W186-F202 AromaticContact CZ2-CE2 3.29Å; W186-F202 HydrophobicContact CZ2-CE2 3.29Å; W186-F202 AromaticContact CZ2-CZ 3.77Å; W186-F202 HydrophobicContact CZ2-CZ 3.77Å; V190-F202 HydrophobicContact CG2-CD2 4.47Å; V190-F202 HydrophobicContact CG2-CE2 4.33Å; F202-K213 HydrophobicContact CB-CB 4.21Å; F202-K213 HydrophobicContact CD1-CB 4.3Å; F202-I214 HydrophobicContact CB-CD1 4.37Å; F202-I214 HydrophobicContact CB-CG1 3.55Å; F202-I214 HydrophobicContact CD2-CG1 3.79Å; F202-I214 HydrophobicContact CG-CG1 3.71Å; F202-H218 WeakPolarHBondContact CE1-O 3.39Å; F202-Y219 HydrophobicContact CE1-CD1 4.07Å; F202-Y219 HydrophobicContact CE1-CG 4.39Å; F202-Y219 AromaticContact CZ-CD1 3.89Å; F202-Y219 HydrophobicContact CZ-CD1 3.89Å; F202-Y219 HydrophobicContact CZ-CG 4.42Å; F202-L237 HydrophobicContact CE2-CD1 4.49Å; F202-L237 HydrophobicContact CE2-CD2 4.28Å; F202-L237 HydrophobicContact CZ-CD1 4.47Å
203	D	88.2	Confident	89.1	Confident	48 Å²	48	47.4 Å²	47.4	26%	0.257	24%	0.238	S	C	.	.			trans	-142.6	155.1	-176.5	-157.6	-0.3	0	0	0	111.8	L200 K213 R634	L200-D203 HydrophobicContact CB-CB 3.95Å; L200-D203 HydrophobicContact CD1-CB 4.22Å; D203-K213 WeakPolarHBondContact O-CD 3.41Å; D203-K213 PolarHBondContact O-NZ 3.23Å; D203-R634 IonicContact OD1-CZ 2.69Å; D203-R634 IonicContact OD1-NH2 3.68Å; D203-R634 PolarHBondContact OD1-NH2 3.31Å; D203-R634 IonicContact OD2-CZ 2.64Å; D203-R634 IonicContact OD2-NH2 3.17Å; D203-R634 PolarHBondContact OD2-NH2 3.01Å
204	D	84.5	Confident	88.9	Confident	47 Å²	47	47.4 Å²	47.4	25%	0.251	24%	0.238	S	C	.	.			trans	-167.5	172.8	177.4	-148	-91	0	0	0	109.9	N206 V209 I210 K213 R634	D204-N206 WeakPolarHBondContact OD1-CB 3.45Å; D204-N206 PolarHBondContact OD1-N 3.02Å; D204-V209 HydrophobicContact CB-CB 4.14Å; D204-V209 HydrophobicContact CB-CG1 4.37Å; D204-V209 WeakPolarHBondContact OD2-CG1 3.36Å; D204-I210 HydrophobicContact CB-CD1 4.41Å; D204-I210 HydrophobicContact CB-CG1 3.54Å; D204-K213 IonicContact OD2-NZ 2.93Å; D204-K213 PolarHBondContact OD2-NZ 3.42Å; D204-R634 PolarHBondContact O-NH1 3.36Å; D204-R634 VanDerWaalsContact O-NH1 3.16Å
205	D	75.8	Confident	88.9	Confident	140 Å²	140	51.3 Å²	51.3	75%	0.749	26%	0.257	S	S	*	.	S	Bend	trans	-84.8	-25.2	162.2	-70.2	-49.3	0	0	0	111.2	R634	D205-R634 IonicContact OD1-CZ 2.71Å; D205-R634 IonicContact OD1-NH1 2.64Å; D205-R634 PolarHBondContact OD1-NH1 3.35Å
206	N	76.1	Confident	88.9	Confident	78 Å²	78	53.7 Å²	53.7	42%	0.417	28%	0.276	S	S	.	.	S	Bend	trans	-99.4	111.2	179.5	-173.1	-23	0	0	0	111.4	D204 T208 V209 I210	D204-N206 WeakPolarHBondContact OD1-CB 3.45Å; D204-N206 PolarHBondContact OD1-N 3.02Å; N206-T208 PolarHBondContact O-N 2.88Å; N206-T208 WeakPolarHBondContact OD1-CB 3.31Å; N206-T208 PolarHBondContact OD1-N 3.06Å; N206-T208 PolarHBondContact OD1-OG1 3.29Å; N206-V209 HydrophobicContact CB-CB 4.38Å; N206-V209 HydrophobicContact CB-CG2 4Å; N206-V209 WeakPolarHBondContact O-CA 3.44Å; N206-V209 WeakPolarHBondContact O-CB 3.45Å; N206-V209 PolarHBondContact O-N 3.33Å; N206-I210 PolarHBondContact O-N 3.41Å
207	V	76.6	Confident	88.9	Confident	68 Å²	68	53.5 Å²	53.5	41%	0.412	28%	0.278	S	S	.	.	H	α-helix	trans	-50.7	-31.9	176.8	-178.5	0	0	0	0	113.1	V209 I210 Y211	V207-V209 VanDerWaalsContact C-N 3.3Å; V207-V209 PolarHBondContact O-N 2.89Å; V207-I210 PolarHBondContact O-N 3.1Å; V207-Y211 HydrophobicContact CG1-CD1 4.46Å; V207-Y211 HydrophobicContact CG1-CD2 4.22Å; V207-Y211 HydrophobicContact CG1-CE1 3.98Å; V207-Y211 HydrophobicContact CG1-CE2 3.7Å; V207-Y211 VanDerWaalsContact O-CG 3.31Å; V207-Y211 PolarHBondContact O-N 3.46Å
208	T	82.9	Confident	88.9	Confident	85 Å²	85	60.3 Å²	60.3	52%	0.521	31%	0.308	S	S	.	.	H	α-helix	trans	-66.5	-32.8	176.4	-38.2	0	0	0	0	112.1	N206 K212	N206-T208 PolarHBondContact O-N 2.88Å; N206-T208 WeakPolarHBondContact OD1-CB 3.31Å; N206-T208 PolarHBondContact OD1-N 3.06Å; N206-T208 PolarHBondContact OD1-OG1 3.29Å; T208-K212 WeakPolarHBondContact O-CG 3.45Å; T208-K212 PolarHBondContact O-N 2.75Å
209	V	88	Confident	89.1	Confident	45 Å²	45	62 Å²	62	27%	0.273	31%	0.314	S	S	.	.	H	α-helix	trans	-81.1	-36.3	176.1	-175.3	0	0	0	0	110.6	D204 N206 V207 Y211 K212 K213	D204-V209 HydrophobicContact CB-CB 4.14Å; D204-V209 HydrophobicContact CB-CG1 4.37Å; D204-V209 WeakPolarHBondContact OD2-CG1 3.36Å; N206-V209 HydrophobicContact CB-CB 4.38Å; N206-V209 HydrophobicContact CB-CG2 4Å; N206-V209 WeakPolarHBondContact O-CA 3.44Å; N206-V209 WeakPolarHBondContact O-CB 3.45Å; N206-V209 PolarHBondContact O-N 3.33Å; V207-V209 VanDerWaalsContact C-N 3.3Å; V207-V209 PolarHBondContact O-N 2.89Å; V209-Y211 VanDerWaalsContact C-N 3.31Å; V209-Y211 PolarHBondContact O-N 3.21Å; V209-K212 PolarHBondContact O-N 3.25Å; V209-K212 VanDerWaalsContact O-N 3.14Å; V209-K213 HydrophobicContact CG1-CD 4.17Å; V209-K213 HydrophobicContact CG1-CG 4.42Å; V209-K213 WeakPolarHBondContact O-CG 3.39Å; V209-K213 PolarHBondContact O-N 3.45Å
210	I	87	Confident	89.4	Confident	17 Å²	17	61.9 Å²	61.9	9%	0.087	32%	0.321	C	S	.	.	H	α-helix	trans	-54.2	-49.5	168.2	-54.8	-178.8	0	0	0	109.9	D204 N206 V207 K212 K213 I214	D204-I210 HydrophobicContact CB-CD1 4.41Å; D204-I210 HydrophobicContact CB-CG1 3.54Å; N206-I210 PolarHBondContact O-N 3.41Å; V207-I210 PolarHBondContact O-N 3.1Å; I210-K212 PolarHBondContact O-N 3.03Å; I210-K213 PolarHBondContact O-N 3.06Å; I210-I214 HydrophobicContact CG2-CD1 3.75Å; I210-I214 HydrophobicContact CG2-CG1 4.36Å; I210-I214 WeakPolarHBondContact O-CG1 3.41Å; I210-I214 PolarHBondContact O-N 2.88Å
211	Y	89.4	Confident	89.5	Confident	93 Å²	93	64.3 Å²	64.3	37%	0.365	33%	0.332	S	S	.	.	H	α-helix	trans	-61.4	-38.9	177	-66.8	-21	0	0	0	113	P165 I173 V207 V209 M215	P165-Y211 HydrophobicContact CB-CE1 4.1Å; I173-Y211 HydrophobicContact CB-CD1 4.48Å; I173-Y211 HydrophobicContact CD1-CD1 3.94Å; I173-Y211 HydrophobicContact CD1-CE1 4.29Å; I173-Y211 HydrophobicContact CG1-CD1 4.05Å; I173-Y211 HydrophobicContact CG1-CE1 4.06Å; I173-Y211 HydrophobicContact CG2-CD1 3.58Å; I173-Y211 HydrophobicContact CG2-CD2 4.25Å; I173-Y211 HydrophobicContact CG2-CE1 4.08Å; I173-Y211 HydrophobicContact CG2-CG 3.68Å; V207-Y211 HydrophobicContact CG1-CD1 4.46Å; V207-Y211 HydrophobicContact CG1-CD2 4.22Å; V207-Y211 HydrophobicContact CG1-CE1 3.98Å; V207-Y211 HydrophobicContact CG1-CE2 3.7Å; V207-Y211 VanDerWaalsContact O-CG 3.31Å; V207-Y211 PolarHBondContact O-N 3.46Å; V209-Y211 VanDerWaalsContact C-N 3.31Å; V209-Y211 PolarHBondContact O-N 3.21Å; Y211-M215 VanDerWaalsContact O-CB 3.29Å; Y211-M215 WeakPolarHBondContact O-CB 3.28Å; Y211-M215 WeakPolarHBondContact O-CG 3.29Å; Y211-M215 PolarHBondContact O-N 2.87Å
212	K	92.1	Very high	89.5	Confident	149 Å²	149	64.4 Å²	64.4	65%	0.648	33%	0.332	S	S	*	.	H	α-helix	trans	-63.4	-44.1	173.3	-74.5	176.7	179.3	-174.9	0	112.2	T208 V209 I210 M215 A216	T208-K212 WeakPolarHBondContact O-CG 3.45Å; T208-K212 PolarHBondContact O-N 2.75Å; V209-K212 PolarHBondContact O-N 3.25Å; V209-K212 VanDerWaalsContact O-N 3.14Å; I210-K212 PolarHBondContact O-N 3.03Å; K212-M215 PolarHBondContact O-N 3.38Å; K212-A216 WeakPolarHBondContact O-CB 3.44Å; K212-A216 PolarHBondContact O-N 2.99Å
213	K	94.2	Very high	89.5	Confident	79 Å²	79	73.8 Å²	73.8	34%	0.343	37%	0.373	S	S	.	.	H	α-helix	trans	-60.7	-48.5	177.3	-73.1	168.7	169.7	168.4	0	111.1	F202 D203 D204 V209 I210 A216 G217	F202-K213 HydrophobicContact CB-CB 4.21Å; F202-K213 HydrophobicContact CD1-CB 4.3Å; D203-K213 WeakPolarHBondContact O-CD 3.41Å; D203-K213 PolarHBondContact O-NZ 3.23Å; D204-K213 IonicContact OD2-NZ 2.93Å; D204-K213 PolarHBondContact OD2-NZ 3.42Å; V209-K213 HydrophobicContact CG1-CD 4.17Å; V209-K213 HydrophobicContact CG1-CG 4.42Å; V209-K213 WeakPolarHBondContact O-CG 3.39Å; V209-K213 PolarHBondContact O-N 3.45Å; I210-K213 PolarHBondContact O-N 3.06Å; K213-A216 PolarHBondContact O-N 3.46Å; K213-G217 PolarHBondContact O-N 3.33Å
214	I	94	Very high	89.7	Confident	0 Å²	0	80.9 Å²	80.9	0%	0	40%	0.396	C	S	.	.	H	α-helix	trans	-63.3	-45	177.1	-66.9	171.1	0	0	0	111.9	P165 P170 I173 W186 F202 I210 A216 G217	P165-I214 WeakPolarHBondContact O-CD1 3.15Å; P170-I214 HydrophobicContact CB-CG2 4.42Å; P170-I214 HydrophobicContact CG-CG2 3.82Å; P170-I214 WeakPolarHBondContact CG-O 3.3Å; I173-I214 HydrophobicContact CD1-CB 3.93Å; I173-I214 HydrophobicContact CD1-CD1 3.62Å; I173-I214 HydrophobicContact CD1-CG1 4.37Å; I173-I214 HydrophobicContact CD1-CG2 3.44Å; I173-I214 VanDerWaalsContact CD1-CG2 3.44Å; W186-I214 HydrophobicContact CH2-CG2 4.43Å; W186-I214 HydrophobicContact CZ2-CG2 3.72Å; F202-I214 HydrophobicContact CB-CD1 4.37Å; F202-I214 HydrophobicContact CB-CG1 3.55Å; F202-I214 HydrophobicContact CD2-CG1 3.79Å; F202-I214 HydrophobicContact CG-CG1 3.71Å; I210-I214 HydrophobicContact CG2-CD1 3.75Å; I210-I214 HydrophobicContact CG2-CG1 4.36Å; I210-I214 WeakPolarHBondContact O-CG1 3.41Å; I210-I214 PolarHBondContact O-N 2.88Å; I214-A216 VanDerWaalsContact C-N 3.27Å; I214-A216 PolarHBondContact O-N 3.35Å; I214-G217 PolarHBondContact O-N 3.02Å; I214-G217 VanDerWaalsContact O-N 3.13Å
215	M	93.1	Very high	90.3	Very high	82 Å²	82	78.9 Å²	78.9	40%	0.404	39%	0.386	S	S	.	.	H	α-helix	trans	-65.6	-28	178.8	-71.9	-62.7	-54.8	0	0	113.3	P170 Y211 K212	P170-M215 HydrophobicContact CB-SD 3.78Å; Y211-M215 VanDerWaalsContact O-CB 3.29Å; Y211-M215 WeakPolarHBondContact O-CB 3.28Å; Y211-M215 WeakPolarHBondContact O-CG 3.29Å; Y211-M215 PolarHBondContact O-N 2.87Å; K212-M215 PolarHBondContact O-N 3.38Å
216	A	95.3	Very high	91.3	Very high	50 Å²	50	73.6 Å²	73.6	41%	0.413	36%	0.36	S	S	.	.	H	α-helix	trans	-78.1	-33.2	171.3	0	0	0	0	0	112.6	K212 K213 I214 H218	K212-A216 WeakPolarHBondContact O-CB 3.44Å; K212-A216 PolarHBondContact O-N 2.99Å; K213-A216 PolarHBondContact O-N 3.46Å; I214-A216 VanDerWaalsContact C-N 3.27Å; I214-A216 PolarHBondContact O-N 3.35Å; A216-H218 PolarHBondContact O-N 3.39Å
217	G	94.7	Very high	92.2	Very high	10 Å²	10	74.3 Å²	74.3	10%	0.103	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.1	7.7	-178.5	0	0	0	0	0	114.9	K213 I214 Y219	K213-G217 PolarHBondContact O-N 3.33Å; I214-G217 PolarHBondContact O-N 3.02Å; I214-G217 VanDerWaalsContact O-N 3.13Å; G217-Y219 WeakPolarHBondContact O-CD1 3.37Å
218	H	94.6	Very high	93.2	Very high	159 Å²	159	72.6 Å²	72.6	74%	0.736	36%	0.362	S	S	*	.			trans	-83.9	125.9	176	-61	168.3	0	0	0	110.6	F202 A216	F202-H218 WeakPolarHBondContact CE1-O 3.39Å; A216-H218 PolarHBondContact O-N 3.39Å
219	Y	95.7	Very high	93.9	Very high	37 Å²	37	68.6 Å²	68.6	15%	0.145	34%	0.337	C	S	.	.			trans	-137.9	157.5	176.6	60.4	-84.7	0	0	0	109.3	Y193 P201 F202 G217 E221 L233 R234 L237	Y193-Y219 AromaticContact CD2-CD2 3.93Å; Y193-Y219 HydrophobicContact CD2-CD2 3.93Å; Y193-Y219 HydrophobicContact CD2-CE2 4.15Å; Y193-Y219 AromaticContact CE2-CD2 3.58Å; Y193-Y219 HydrophobicContact CE2-CD2 3.58Å; Y193-Y219 HydrophobicContact CE2-CE2 4.08Å; P201-Y219 HydrophobicContact CB-CD2 4.4Å; P201-Y219 HydrophobicContact CB-CG 4.1Å; P201-Y219 WeakPolarHBondContact O-CB 3.33Å; F202-Y219 HydrophobicContact CE1-CD1 4.07Å; F202-Y219 HydrophobicContact CE1-CG 4.39Å; F202-Y219 AromaticContact CZ-CD1 3.89Å; F202-Y219 HydrophobicContact CZ-CD1 3.89Å; F202-Y219 HydrophobicContact CZ-CG 4.42Å; G217-Y219 WeakPolarHBondContact O-CD1 3.37Å; Y219-E221 HydrophobicContact CD2-CG 4.36Å; Y219-E221 HydrophobicContact CE2-CG 3.76Å; Y219-L233 HydrophobicContact CE2-CB 4.4Å; Y219-L233 WeakPolarHBondContact OH-CB 3.22Å; Y219-R234 PolarHBondContact OH-N 2.71Å; Y219-L237 HydrophobicContact CD1-CD1 3.94Å; Y219-L237 HydrophobicContact CE1-CB 3.94Å; Y219-L237 HydrophobicContact CE1-CD1 3.63Å; Y219-L237 HydrophobicContact CE1-CG 4.43Å; Y219-L237 HydrophobicContact CE2-CD1 4.29Å; Y219-L237 HydrophobicContact CG-CD1 4.42Å
220	D	95	Very high	94.3	Very high	94 Å²	94	69.7 Å²	69.7	50%	0.503	34%	0.337	S	S	.	.			trans	-70.6	135	177.9	-45.2	-49.7	0	0	0	110.3	Y193 R199 P222	Y193-D220 WeakPolarHBondContact CE2-O 3.36Å; Y193-D220 PolarHBondContact OH-O 3.3Å; R199-D220 IonicContact CZ-OD2 3.37Å; R199-D220 VanDerWaalsContact CZ-OD2 3.23Å; R199-D220 IonicContact NH1-OD2 3.49Å; R199-D220 PolarHBondContact NH1-OD2 3.43Å; R199-D220 IonicContact NH2-OD2 3.7Å; R199-D220 PolarHBondContact NH2-OD2 2.89Å; D220-P222 VanDerWaalsContact O-CD 3.32Å; D220-P222 WeakPolarHBondContact O-CD 3.47Å
221	E	94.5	Very high	94.8	Very high	58 Å²	58	72 Å²	72	27%	0.271	36%	0.355	S	S	.	.			trans	-105.6	99.2	168.2	-77	-177.4	-157.5	0	0	110.4	Y219 R230 R234	Y219-E221 HydrophobicContact CD2-CG 4.36Å; Y219-E221 HydrophobicContact CE2-CG 3.76Å; E221-R230 HydrophobicContact CB-CG 4.32Å; E221-R230 HydrophobicContact CG-CG 4.25Å; E221-R230 VanDerWaalsContact OE2-CD 3.31Å; E221-R230 WeakPolarHBondContact OE2-CD 3.45Å; E221-R234 WeakPolarHBondContact OE1-CG 3.46Å; E221-R234 IonicContact OE1-CZ 2.7Å; E221-R234 IonicContact OE1-NE 2.67Å; E221-R234 PolarHBondContact OE1-NE 2.69Å; E221-R234 IonicContact OE1-NH2 2.8Å; E221-R234 PolarHBondContact OE1-NH2 3.23Å; E221-R234 IonicContact OE2-CZ 3.53Å; E221-R234 IonicContact OE2-NE 3.44Å; E221-R234 PolarHBondContact OE2-NE 3.01Å; E221-R234 IonicContact OE2-NH2 2.78Å; E221-R234 PolarHBondContact OE2-NH2 3.32Å
222	P	94	Very high	95.2	Very high	11 Å²	11	67.6 Å²	67.6	7%	0.071	34%	0.337	C	S	.	.			trans	-61	139.6	178.7	-23.7	32.8	0	0	0	113.2	D220 W224 L225	D220-P222 VanDerWaalsContact O-CD 3.32Å; D220-P222 WeakPolarHBondContact O-CD 3.47Å; P222-W224 HydrophobicContact CB-CD2 3.5Å; P222-W224 VanDerWaalsContact CB-CD2 3.5Å; P222-W224 HydrophobicContact CB-CE3 3.74Å; P222-W224 HydrophobicContact CB-CG 4.2Å; P222-W224 HydrophobicContact CB-CH2 3.69Å; P222-W224 HydrophobicContact CB-CZ2 3.43Å; P222-W224 VanDerWaalsContact CB-CZ2 3.43Å; P222-W224 HydrophobicContact CB-CZ3 3.83Å; P222-W224 HydrophobicContact CG-CH2 4.18Å; P222-W224 HydrophobicContact CG-CZ2 3.77Å; P222-W224 PolarHBondContact O-N 2.86Å; P222-W224 VanDerWaalsContact O-N 3.14Å; P222-L225 HydrophobicContact CB-CG 4.34Å; P222-L225 HydrophobicContact CG-CD1 4.44Å; P222-L225 PolarHBondContact O-N 3.48Å
223	K	93.3	Very high	95.5	Very high	199 Å²	199	60.5 Å²	60.5	87%	0.865	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-24.5	-177.2	-65	-175.2	-179.2	-179.6	0	113.8	L225	K223-L225 VanDerWaalsContact C-N 3.32Å
224	W	93.8	Very high	95.7	Very high	197 Å²	197	62.9 Å²	62.9	75%	0.746	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-12.5	178.3	61.5	83	0	0	0	114.2	P222	P222-W224 HydrophobicContact CB-CD2 3.5Å; P222-W224 VanDerWaalsContact CB-CD2 3.5Å; P222-W224 HydrophobicContact CB-CE3 3.74Å; P222-W224 HydrophobicContact CB-CG 4.2Å; P222-W224 HydrophobicContact CB-CH2 3.69Å; P222-W224 HydrophobicContact CB-CZ2 3.43Å; P222-W224 VanDerWaalsContact CB-CZ2 3.43Å; P222-W224 HydrophobicContact CB-CZ3 3.83Å; P222-W224 HydrophobicContact CG-CH2 4.18Å; P222-W224 HydrophobicContact CG-CZ2 3.77Å; P222-W224 PolarHBondContact O-N 2.86Å; P222-W224 VanDerWaalsContact O-N 3.14Å
225	L	96	Very high	95.9	Very high	5 Å²	5	64.2 Å²	64.2	3%	0.026	32%	0.322	C	S	.	.	S	Bend	trans	-76.5	135	172.2	-59.4	-174.9	0	0	0	110.3	L196 P222 K223 V229 R230 L233	L196-L225 HydrophobicContact CB-CD2 4.12Å; P222-L225 HydrophobicContact CB-CG 4.34Å; P222-L225 HydrophobicContact CG-CD1 4.44Å; P222-L225 PolarHBondContact O-N 3.48Å; K223-L225 VanDerWaalsContact C-N 3.32Å; L225-V229 HydrophobicContact CB-CB 4.44Å; L225-V229 HydrophobicContact CB-CG1 3.95Å; L225-V229 HydrophobicContact CD1-CG1 3.93Å; L225-V229 HydrophobicContact CD2-CG1 4.31Å; L225-V229 HydrophobicContact CG-CG1 4.29Å; L225-R230 HydrophobicContact CB-CG 3.91Å; L225-R230 HydrophobicContact CD1-CG 4.49Å; L225-R230 PolarHBondContact O-NE 3.49Å; L225-R230 PolarHBondContact O-NH2 3.25Å; L225-L233 HydrophobicContact CD1-CD1 4.07Å
226	S	96.5	Very high	96.1	Very high	30 Å²	30	60.3 Å²	60.3	21%	0.21	30%	0.303	C	S	.	.			trans	-60.3	156.1	177.1	67.5	0	0	0	0	112.1	E99 S228 V229 R230	E99-S226 VanDerWaalsContact CD-OG 3.28Å; E99-S226 WeakPolarHBondContact OE1-CB 3.3Å; E99-S226 PolarHBondContact OE1-N 3.18Å; E99-S226 PolarHBondContact OE1-OG 2.85Å; E99-S226 PolarHBondContact OE2-OG 2.66Å; E99-S226 VanDerWaalsContact OE2-OG 3.09Å; S226-S228 PolarHBondContact O-N 3.43Å; S226-V229 PolarHBondContact O-N 3.08Å; S226-V229 PolarHBondContact OG-N 3.03Å; S226-V229 VanDerWaalsContact OG-N 3.16Å; S226-R230 PolarHBondContact O-N 2.95Å
227	S	96.4	Very high	96.3	Very high	92 Å²	92	58.2 Å²	58.2	64%	0.643	29%	0.285	S	S	*	.	H	α-helix	trans	-55.7	-33.9	171.7	50.1	0	0	0	0	112.1	R230 S231	S227-R230 PolarHBondContact O-N 3.12Å; S227-S231 VanDerWaalsContact O-CB 3.31Å; S227-S231 WeakPolarHBondContact O-CB 3.09Å; S227-S231 PolarHBondContact O-N 2.89Å
228	S	96.8	Very high	96.4	Very high	33 Å²	33	60.7 Å²	60.7	23%	0.231	29%	0.294	C	S	.	.	H	α-helix	trans	-69.9	-40.9	178.2	-153.7	0	0	0	0	112.5	S226 L232	S226-S228 PolarHBondContact O-N 3.43Å; S228-L232 WeakPolarHBondContact O-CB 3.5Å; S228-L232 PolarHBondContact O-N 2.64Å
229	V	97.3	Very high	96.5	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-63	-47.8	170.7	160.3	0	0	0	0	111.6	E99 L196 L225 S226 S231 L232 L233 W255	E99-V229 HydrophobicContact CG-CG2 3.95Å; E99-V229 WeakPolarHBondContact OE1-CG2 3.3Å; E99-V229 WeakPolarHBondContact OE2-CG2 3.49Å; L196-V229 HydrophobicContact CD1-CG1 3.58Å; L196-V229 HydrophobicContact CD1-CG2 4.09Å; L225-V229 HydrophobicContact CB-CB 4.44Å; L225-V229 HydrophobicContact CB-CG1 3.95Å; L225-V229 HydrophobicContact CD1-CG1 3.93Å; L225-V229 HydrophobicContact CD2-CG1 4.31Å; L225-V229 HydrophobicContact CG-CG1 4.29Å; S226-V229 PolarHBondContact O-N 3.08Å; S226-V229 PolarHBondContact OG-N 3.03Å; S226-V229 VanDerWaalsContact OG-N 3.16Å; V229-S231 VanDerWaalsContact C-N 3.33Å; V229-S231 PolarHBondContact O-N 2.85Å; V229-L232 WeakPolarHBondContact O-CB 3.47Å; V229-L232 PolarHBondContact O-N 3.08Å; V229-L232 VanDerWaalsContact O-N 3.16Å; V229-L233 HydrophobicContact CG1-CD1 3.65Å; V229-L233 HydrophobicContact CG1-CG 4.24Å; V229-L233 WeakPolarHBondContact O-CG 3.38Å; V229-L233 PolarHBondContact O-N 2.84Å; V229-W255 HydrophobicContact CG2-CD2 4.15Å; V229-W255 HydrophobicContact CG2-CG 4.16Å; V229-W255 HydrophobicContact CG2-CZ2 4.09Å
230	R	97.5	Very high	96.5	Very high	69 Å²	69	56.9 Å²	56.9	26%	0.26	28%	0.284	S	S	.	.	H	α-helix	trans	-65	-38.6	-178	-72.7	-179.7	-74.9	124.5	-9	111.5	E221 L225 S226 S227 R234	E221-R230 HydrophobicContact CB-CG 4.32Å; E221-R230 HydrophobicContact CG-CG 4.25Å; E221-R230 VanDerWaalsContact OE2-CD 3.31Å; E221-R230 WeakPolarHBondContact OE2-CD 3.45Å; L225-R230 HydrophobicContact CB-CG 3.91Å; L225-R230 HydrophobicContact CD1-CG 4.49Å; L225-R230 PolarHBondContact O-NE 3.49Å; L225-R230 PolarHBondContact O-NH2 3.25Å; S226-R230 PolarHBondContact O-N 2.95Å; S227-R230 PolarHBondContact O-N 3.12Å; R230-R234 WeakPolarHBondContact O-CB 3.34Å; R230-R234 WeakPolarHBondContact O-CD 3.3Å; R230-R234 WeakPolarHBondContact O-CG 3.35Å; R230-R234 PolarHBondContact O-N 2.8Å
231	S	96.7	Very high	96.5	Very high	66 Å²	66	53.8 Å²	53.8	46%	0.462	27%	0.269	S	S	.	.	H	α-helix	trans	-59.1	-48.1	169.7	-169	0	0	0	0	112.3	S227 V229 R234 S235	S227-S231 VanDerWaalsContact O-CB 3.31Å; S227-S231 WeakPolarHBondContact O-CB 3.09Å; S227-S231 PolarHBondContact O-N 2.89Å; V229-S231 VanDerWaalsContact C-N 3.33Å; V229-S231 PolarHBondContact O-N 2.85Å; S231-R234 PolarHBondContact O-N 3.5Å; S231-S235 PolarHBondContact O-N 2.88Å
232	L	98.1	Very high	96.6	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-59	-52.6	177.8	-179.2	52.5	0	0	0	111.8	L192 S228 V229 R234 S235 M236 L250 W255 V256	L192-L232 HydrophobicContact CD2-CD2 3.61Å; L192-L232 HydrophobicContact CD2-CG 3.85Å; S228-L232 WeakPolarHBondContact O-CB 3.5Å; S228-L232 PolarHBondContact O-N 2.64Å; V229-L232 WeakPolarHBondContact O-CB 3.47Å; V229-L232 PolarHBondContact O-N 3.08Å; V229-L232 VanDerWaalsContact O-N 3.16Å; L232-R234 VanDerWaalsContact C-N 3.34Å; L232-R234 PolarHBondContact O-N 3.37Å; L232-S235 PolarHBondContact O-N 3.35Å; L232-S235 PolarHBondContact O-OG 3.17Å; L232-M236 HydrophobicContact CD1-CG 4.02Å; L232-M236 HydrophobicContact CD1-SD 3.8Å; L232-M236 HydrophobicContact CG-SD 4.03Å; L232-M236 WeakPolarHBondContact O-CG 3.33Å; L232-M236 PolarHBondContact O-N 3.37Å; L232-L250 HydrophobicContact CD1-CD2 3.52Å; L232-W255 HydrophobicContact CD2-CB 4.26Å; L232-W255 HydrophobicContact CD2-CD2 4.14Å; L232-W255 HydrophobicContact CD2-CE3 3.5Å; L232-W255 VanDerWaalsContact CD2-CE3 3.5Å; L232-W255 HydrophobicContact CD2-CG 4.46Å; L232-W255 HydrophobicContact CD2-CZ3 4.19Å; L232-V256 HydrophobicContact CD2-CG2 4.26Å
233	L	98.3	Very high	96.7	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-56.2	-45.4	178.3	-72.6	168.5	0	0	0	111.8	L192 Y193 Y219 L225 V229 S235 M236 L237	L192-L233 HydrophobicContact CB-CD2 4.03Å; L192-L233 HydrophobicContact CD2-CD2 3.91Å; L192-L233 HydrophobicContact CD2-CG 4.28Å; L192-L233 HydrophobicContact CG-CD2 3.93Å; Y193-L233 HydrophobicContact CD2-CD1 4.05Å; Y193-L233 HydrophobicContact CD2-CD2 4.43Å; Y219-L233 HydrophobicContact CE2-CB 4.4Å; Y219-L233 WeakPolarHBondContact OH-CB 3.22Å; L225-L233 HydrophobicContact CD1-CD1 4.07Å; V229-L233 HydrophobicContact CG1-CD1 3.65Å; V229-L233 HydrophobicContact CG1-CG 4.24Å; V229-L233 WeakPolarHBondContact O-CG 3.38Å; V229-L233 PolarHBondContact O-N 2.84Å; L233-S235 VanDerWaalsContact C-N 3.3Å; L233-S235 PolarHBondContact O-N 3.04Å; L233-M236 PolarHBondContact O-N 2.78Å; L233-L237 WeakPolarHBondContact O-CB 3.36Å; L233-L237 PolarHBondContact O-N 3.13Å
234	R	97.8	Very high	96.9	Very high	128 Å²	128	54.3 Å²	54.3	48%	0.483	27%	0.269	S	S	.	.	H	α-helix	trans	-58.6	-37.9	174.6	-71	166.4	-172.7	-165.3	0.4	112.8	Y219 E221 R230 S231 L232 Q238	Y219-R234 PolarHBondContact OH-N 2.71Å; E221-R234 WeakPolarHBondContact OE1-CG 3.46Å; E221-R234 IonicContact OE1-CZ 2.7Å; E221-R234 IonicContact OE1-NE 2.67Å; E221-R234 PolarHBondContact OE1-NE 2.69Å; E221-R234 IonicContact OE1-NH2 2.8Å; E221-R234 PolarHBondContact OE1-NH2 3.23Å; E221-R234 IonicContact OE2-CZ 3.53Å; E221-R234 IonicContact OE2-NE 3.44Å; E221-R234 PolarHBondContact OE2-NE 3.01Å; E221-R234 IonicContact OE2-NH2 2.78Å; E221-R234 PolarHBondContact OE2-NH2 3.32Å; R230-R234 WeakPolarHBondContact O-CB 3.34Å; R230-R234 WeakPolarHBondContact O-CD 3.3Å; R230-R234 WeakPolarHBondContact O-CG 3.35Å; R230-R234 PolarHBondContact O-N 2.8Å; S231-R234 PolarHBondContact O-N 3.5Å; L232-R234 VanDerWaalsContact C-N 3.34Å; L232-R234 PolarHBondContact O-N 3.37Å; R234-Q238 WeakPolarHBondContact O-CG 3.46Å; R234-Q238 PolarHBondContact O-NE2 3.42Å
235	S	98	Very high	97.1	Very high	28 Å²	28	46.3 Å²	46.3	20%	0.196	24%	0.24	C	C	.	.	H	α-helix	trans	-74.3	-25.6	178	78.3	0	0	0	0	113.9	S231 L232 L233 R244 I245	S231-S235 PolarHBondContact O-N 2.88Å; L232-S235 PolarHBondContact O-N 3.35Å; L232-S235 PolarHBondContact O-OG 3.17Å; L233-S235 VanDerWaalsContact C-N 3.3Å; L233-S235 PolarHBondContact O-N 3.04Å; S235-R244 WeakPolarHBondContact O-CA 3.08Å; S235-I245 PolarHBondContact O-N 2.85Å
236	M	98.4	Very high	97.1	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-90	-35.6	178.9	-62.7	-173.1	79.3	0	0	112.9	F106 I185 M188 L192 L232 L233 Q238 R244 I245 L250	F106-M236 HydrophobicContact CE1-CE 4.21Å; F106-M236 HydrophobicContact CE1-SD 4.08Å; F106-M236 HydrophobicContact CZ-CE 3.81Å; F106-M236 HydrophobicContact CZ-SD 4.03Å; I185-M236 HydrophobicContact CG2-CB 4.27Å; I185-M236 HydrophobicContact CG2-CE 3.94Å; I185-M236 HydrophobicContact CG2-CG 4.27Å; M188-M236 HydrophobicContact CB-CE 3.49Å; M188-M236 VanDerWaalsContact CB-CE 3.49Å; M188-M236 HydrophobicContact CE-CE 4.19Å; L192-M236 HydrophobicContact CD2-SD 4.36Å; L232-M236 HydrophobicContact CD1-CG 4.02Å; L232-M236 HydrophobicContact CD1-SD 3.8Å; L232-M236 HydrophobicContact CG-SD 4.03Å; L232-M236 WeakPolarHBondContact O-CG 3.33Å; L232-M236 PolarHBondContact O-N 3.37Å; L233-M236 PolarHBondContact O-N 2.78Å; M236-Q238 VanDerWaalsContact C-N 3.29Å; M236-Q238 PolarHBondContact O-N 2.91Å; M236-R244 VanDerWaalsContact O-CD 3.24Å; M236-R244 WeakPolarHBondContact O-CD 3.22Å; M236-R244 WeakPolarHBondContact O-CG 3.49Å; M236-I245 HydrophobicContact CB-CG2 4.45Å; M236-I245 HydrophobicContact CG-CG2 3.6Å; M236-L250 HydrophobicContact CE-CD1 3.8Å; M236-L250 HydrophobicContact CE-CD2 4.31Å; M236-L250 HydrophobicContact CG-CD2 4.34Å; M236-L250 HydrophobicContact SD-CD2 4.05Å
237	L	98.1	Very high	97	Very high	7 Å²	7	51.7 Å²	51.7	4%	0.037	26%	0.262	C	S	.	.	S	Bend	trans	-94.1	35.3	-178.8	-63.3	177.1	0	0	0	112.5	W186 V190 F202 Y219 L233 T239	W186-L237 HydrophobicContact CD2-CD2 3.94Å; W186-L237 HydrophobicContact CE3-CB 4.49Å; W186-L237 HydrophobicContact CE3-CD2 4.08Å; W186-L237 HydrophobicContact CG-CD2 4.44Å; W186-L237 HydrophobicContact CH2-CD2 4.42Å; W186-L237 HydrophobicContact CZ2-CD2 4.28Å; W186-L237 VanDerWaalsContact CZ3-C 3.49Å; W186-L237 HydrophobicContact CZ3-CB 4.22Å; W186-L237 HydrophobicContact CZ3-CD2 4.33Å; W186-L237 WeakPolarHBondContact CZ3-O 3.28Å; V190-L237 HydrophobicContact CG2-CD2 3.83Å; F202-L237 HydrophobicContact CE2-CD1 4.49Å; F202-L237 HydrophobicContact CE2-CD2 4.28Å; F202-L237 HydrophobicContact CZ-CD1 4.47Å; Y219-L237 HydrophobicContact CD1-CD1 3.94Å; Y219-L237 HydrophobicContact CE1-CB 3.94Å; Y219-L237 HydrophobicContact CE1-CD1 3.63Å; Y219-L237 HydrophobicContact CE1-CG 4.43Å; Y219-L237 HydrophobicContact CE2-CD1 4.29Å; Y219-L237 HydrophobicContact CG-CD1 4.42Å; L233-L237 WeakPolarHBondContact O-CB 3.36Å; L233-L237 PolarHBondContact O-N 3.13Å; L237-T239 PolarHBondContact O-N 2.59Å
238	Q	98	Very high	96.9	Very high	61 Å²	61	52.1 Å²	52.1	29%	0.285	25%	0.252	S	S	.	.			trans	-70.5	125.6	169.3	-71.9	-65.3	-58.6	0	0	110.5	R234 M236 D240 K243 R244	R234-Q238 WeakPolarHBondContact O-CG 3.46Å; R234-Q238 PolarHBondContact O-NE2 3.42Å; M236-Q238 VanDerWaalsContact C-N 3.29Å; M236-Q238 PolarHBondContact O-N 2.91Å; Q238-D240 VanDerWaalsContact C-N 3.29Å; Q238-D240 WeakPolarHBondContact CB-O 3.37Å; Q238-K243 HydrophobicContact CB-CB 4.2Å; Q238-K243 HydrophobicContact CG-CB 3.96Å; Q238-R244 HydrophobicContact CB-CB 4.22Å; Q238-R244 HydrophobicContact CB-CG 4.3Å; Q238-R244 VanDerWaalsContact O-CZ 3.28Å; Q238-R244 PolarHBondContact O-NE 3.2Å; Q238-R244 PolarHBondContact O-NH2 3.18Å
239	T	96.4	Very high	96.9	Very high	60 Å²	60	53.7 Å²	53.7	37%	0.368	26%	0.258	S	S	.	.	S	Bend	trans	-70.1	-27.3	175.6	50.7	0	0	0	0	112.7	P170 W186 L237 P241	P170-T239 HydrophobicContact CG-CG2 4.16Å; W186-T239 HydrophobicContact CH2-CG2 4.32Å; W186-T239 HydrophobicContact CZ3-CG2 4.24Å; L237-T239 PolarHBondContact O-N 2.59Å; T239-P241 WeakPolarHBondContact O-CD 3.27Å
240	D	95.8	Very high	96.8	Very high	57 Å²	57	53.7 Å²	53.7	31%	0.305	26%	0.258	S	S	.	.	S	Bend	trans	-82.3	111.9	164.8	178.8	-8.2	0	0	0	109.5	Q238 K242 K243	Q238-D240 VanDerWaalsContact C-N 3.29Å; Q238-D240 WeakPolarHBondContact CB-O 3.37Å; D240-K242 PolarHBondContact O-N 2.93Å; D240-K242 VanDerWaalsContact O-N 3.15Å; D240-K242 WeakPolarHBondContact OD1-CB 3.29Å; D240-K242 PolarHBondContact OD1-N 3.35Å; D240-K243 HydrophobicContact CB-CB 4.36Å; D240-K243 HydrophobicContact CB-CD 4Å; D240-K243 HydrophobicContact CB-CG 4.21Å; D240-K243 PolarHBondContact O-N 3.29Å; D240-K243 WeakPolarHBondContact OD2-CD 3.28Å; D240-K243 WeakPolarHBondContact OD2-CE 3.25Å; D240-K243 WeakPolarHBondContact OD2-CG 3.31Å; D240-K243 IonicContact OD2-NZ 2.8Å
241	P	95.3	Very high	96.7	Very high	29 Å²	29	51.2 Å²	51.2	19%	0.188	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-16.6	-178	28	-35.5	0	0	0	113.5	E182 T239 R244	E182-P241 HydrophobicContact CB-CB 4Å; T239-P241 WeakPolarHBondContact O-CD 3.27Å; P241-R244 WeakPolarHBondContact O-CB 3.29Å
242	K	95	Very high	96.6	Very high	124 Å²	124	52.4 Å²	52.4	54%	0.539	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-15.5	177.8	-56.6	-45.8	-174.7	-158.7	0	113.7	C179 E182 D240	C179-K242 PolarHBondContact SG-NZ 2.79Å; E182-K242 IonicContact OE1-NZ 2.68Å; E182-K242 PolarHBondContact OE1-NZ 3.1Å; E182-K242 IonicContact OE2-NZ 3.42Å; E182-K242 PolarHBondContact OE2-NZ 3.42Å; D240-K242 PolarHBondContact O-N 2.93Å; D240-K242 VanDerWaalsContact O-N 3.15Å; D240-K242 WeakPolarHBondContact OD1-CB 3.29Å; D240-K242 PolarHBondContact OD1-N 3.35Å
243	K	97.3	Very high	96.5	Very high	142 Å²	142	53.7 Å²	53.7	62%	0.617	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-9.8	170.7	-66	175.4	-172.5	163.6	0	112.9	Q238 D240	Q238-K243 HydrophobicContact CB-CB 4.2Å; Q238-K243 HydrophobicContact CG-CB 3.96Å; D240-K243 HydrophobicContact CB-CB 4.36Å; D240-K243 HydrophobicContact CB-CD 4Å; D240-K243 HydrophobicContact CB-CG 4.21Å; D240-K243 PolarHBondContact O-N 3.29Å; D240-K243 WeakPolarHBondContact OD2-CD 3.28Å; D240-K243 WeakPolarHBondContact OD2-CE 3.25Å; D240-K243 WeakPolarHBondContact OD2-CG 3.31Å; D240-K243 IonicContact OD2-NZ 2.8Å
244	R	97.8	Very high	96.3	Very high	12 Å²	12	58 Å²	58	5%	0.045	29%	0.288	C	S	.	.	S	Bend	trans	-71.6	133.8	-176.4	-147.3	174.6	-69.8	151.9	0.4	110.6	E171 E182 I185 S235 M236 Q238 P241	E171-R244 IonicContact OE1-CZ 3.62Å; E171-R244 IonicContact OE1-NH1 2.7Å; E171-R244 PolarHBondContact OE1-NH1 3.44Å; E171-R244 IonicContact OE1-NH2 2.65Å; E171-R244 PolarHBondContact OE1-NH2 2.97Å; E171-R244 IonicContact OE2-CZ 2.67Å; E171-R244 IonicContact OE2-NH1 3.57Å; E171-R244 IonicContact OE2-NH2 2.69Å; E171-R244 PolarHBondContact OE2-NH2 3.19Å; E182-R244 VanDerWaalsContact C-NH1 3.29Å; E182-R244 WeakPolarHBondContact O-CD 3.4Å; E182-R244 PolarHBondContact O-NH1 3.06Å; I185-R244 HydrophobicContact CB-CG 4.35Å; I185-R244 HydrophobicContact CG2-CG 3.86Å; S235-R244 WeakPolarHBondContact O-CA 3.08Å; M236-R244 VanDerWaalsContact O-CD 3.24Å; M236-R244 WeakPolarHBondContact O-CD 3.22Å; M236-R244 WeakPolarHBondContact O-CG 3.49Å; Q238-R244 HydrophobicContact CB-CB 4.22Å; Q238-R244 HydrophobicContact CB-CG 4.3Å; Q238-R244 VanDerWaalsContact O-CZ 3.28Å; Q238-R244 PolarHBondContact O-NE 3.2Å; Q238-R244 PolarHBondContact O-NH2 3.18Å; P241-R244 WeakPolarHBondContact O-CB 3.29Å
245	I	98.1	Very high	96.3	Very high	29 Å²	29	52 Å²	52	15%	0.149	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-58.6	146.4	178.8	-169.9	164.4	0	0	0	111.6	I185 S235 M236 D249 L250	I185-I245 HydrophobicContact CG2-CG2 4.04Å; I185-I245 WeakPolarHBondContact CG2-O 3.33Å; S235-I245 PolarHBondContact O-N 2.85Å; M236-I245 HydrophobicContact CB-CG2 4.45Å; M236-I245 HydrophobicContact CG-CG2 3.6Å; I245-D249 HydrophobicContact CD1-CB 4.17Å; I245-D249 HydrophobicContact CG1-CB 3.7Å; I245-L250 HydrophobicContact CD1-CD2 3.91Å; I245-L250 HydrophobicContact CD1-CG 4.4Å; I245-L250 HydrophobicContact CG1-CD2 4.29Å; I245-L250 HydrophobicContact CG1-CG 4.35Å; I245-L250 HydrophobicContact CG2-CD2 3.85Å; I245-L250 HydrophobicContact CG2-CG 4.19Å
246	K	95.9	Very high	96.2	Very high	137 Å²	137	50.7 Å²	50.7	60%	0.596	26%	0.256	S	S	*	.	P	Polyproline II helix	trans	-92.6	157	-177.7	-53	162.1	-164.4	133.8	0	111.2	K248 D249 L250	K246-K248 PolarHBondContact O-N 3.24Å; K246-K248 VanDerWaalsContact O-N 3.16Å; K246-D249 VanDerWaalsContact CB-OD2 3.23Å; K246-D249 WeakPolarHBondContact CB-OD2 3.37Å; K246-D249 WeakPolarHBondContact CD-OD2 3.21Å; K246-D249 WeakPolarHBondContact CG-OD2 3.37Å; K246-D249 PolarHBondContact N-OD2 2.72Å; K246-D249 VanDerWaalsContact N-OD2 3.15Å; K246-D249 PolarHBondContact O-N 2.87Å; K246-L250 PolarHBondContact O-N 3.13Å; K246-L250 VanDerWaalsContact O-N 3.12Å
247	A	94.9	Very high	96	Very high	11 Å²	11	52.3 Å²	52.3	9%	0.091	27%	0.27	C	S	.	.	H	α-helix	trans	-51.9	-38.9	177.2	0	0	0	0	0	113.5	T114 I185	T114-A247 HydrophobicContact CG2-CB 4.35Å; T114-A247 PolarHBondContact OG1-O 2.64Å; I185-A247 HydrophobicContact CD1-CB 4.16Å
248	K	93.5	Very high	95.9	Very high	101 Å²	101	58.5 Å²	58.5	44%	0.439	29%	0.292	S	S	.	.	H	α-helix	trans	-68.4	-38.7	176.3	-78.9	176.2	166.5	156.1	0	113.5	E118 K246 L250 L251	E118-K248 WeakPolarHBondContact OE1-CE 3.3Å; E118-K248 IonicContact OE1-NZ 2.66Å; E118-K248 PolarHBondContact OE1-NZ 3.12Å; E118-K248 WeakPolarHBondContact OE2-CE 3.3Å; E118-K248 IonicContact OE2-NZ 3.11Å; E118-K248 PolarHBondContact OE2-NZ 3.35Å; K246-K248 PolarHBondContact O-N 3.24Å; K246-K248 VanDerWaalsContact O-N 3.16Å; K248-L250 VanDerWaalsContact C-N 3.27Å; K248-L250 PolarHBondContact O-N 3.41Å; K248-L251 HydrophobicContact CB-CD1 4.48Å; K248-L251 HydrophobicContact CG-CD1 4.39Å; K248-L251 VanDerWaalsContact O-CB 3.3Å; K248-L251 WeakPolarHBondContact O-CB 3.15Å; K248-L251 WeakPolarHBondContact O-CG 3.32Å; K248-L251 PolarHBondContact O-N 2.95Å
249	D	95.8	Very high	95.6	Very high	67 Å²	67	60.6 Å²	60.6	36%	0.358	31%	0.306	S	S	.	.	H	α-helix	trans	-68.9	-31.4	-179.4	-46.2	-26.9	0	0	0	110.3	I245 K246 L251 V252 H253	I245-D249 HydrophobicContact CD1-CB 4.17Å; I245-D249 HydrophobicContact CG1-CB 3.7Å; K246-D249 VanDerWaalsContact CB-OD2 3.23Å; K246-D249 WeakPolarHBondContact CB-OD2 3.37Å; K246-D249 WeakPolarHBondContact CD-OD2 3.21Å; K246-D249 WeakPolarHBondContact CG-OD2 3.37Å; K246-D249 PolarHBondContact N-OD2 2.72Å; K246-D249 VanDerWaalsContact N-OD2 3.15Å; K246-D249 PolarHBondContact O-N 2.87Å; D249-L251 VanDerWaalsContact C-N 3.28Å; D249-L251 PolarHBondContact O-N 3.47Å; D249-V252 WeakPolarHBondContact O-CG2 3.48Å; D249-V252 PolarHBondContact O-N 3.01Å; D249-H253 PolarHBondContact O-N 2.68Å
250	L	96.7	Very high	95.4	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-63.7	-26.2	172.9	-68.3	172.7	0	0	0	114	I110 I185 M188 L232 M236 I245 K246 K248 V252 H253 V256	I110-L250 HydrophobicContact CD1-CB 4.23Å; I110-L250 HydrophobicContact CG1-CB 4.38Å; I110-L250 HydrophobicContact CG1-CD1 4.44Å; I110-L250 HydrophobicContact CG2-CB 3.96Å; I185-L250 HydrophobicContact CD1-CD1 3.9Å; M188-L250 HydrophobicContact CE-CD1 3.9Å; L232-L250 HydrophobicContact CD1-CD2 3.52Å; M236-L250 HydrophobicContact CE-CD1 3.8Å; M236-L250 HydrophobicContact CE-CD2 4.31Å; M236-L250 HydrophobicContact CG-CD2 4.34Å; M236-L250 HydrophobicContact SD-CD2 4.05Å; I245-L250 HydrophobicContact CD1-CD2 3.91Å; I245-L250 HydrophobicContact CD1-CG 4.4Å; I245-L250 HydrophobicContact CG1-CD2 4.29Å; I245-L250 HydrophobicContact CG1-CG 4.35Å; I245-L250 HydrophobicContact CG2-CD2 3.85Å; I245-L250 HydrophobicContact CG2-CG 4.19Å; K246-L250 PolarHBondContact O-N 3.13Å; K246-L250 VanDerWaalsContact O-N 3.12Å; K248-L250 VanDerWaalsContact C-N 3.27Å; K248-L250 PolarHBondContact O-N 3.41Å; L250-V252 PolarHBondContact O-N 3.09Å; L250-H253 PolarHBondContact O-N 3.16Å; L250-V256 WeakPolarHBondContact O-CB 3.5Å; L250-V256 WeakPolarHBondContact O-CG1 3.32Å
251	L	95.2	Very high	94.9	Very high	16 Å²	16	65.9 Å²	65.9	8%	0.084	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-27.1	-179.6	-57.7	170	0	0	0	113.1	I110 T114 K248 D249 L264 W266	I110-L251 HydrophobicContact CG2-CD2 3.89Å; T114-L251 HydrophobicContact CG2-CD1 4.37Å; T114-L251 HydrophobicContact CG2-CD2 4.39Å; K248-L251 HydrophobicContact CB-CD1 4.48Å; K248-L251 HydrophobicContact CG-CD1 4.39Å; K248-L251 VanDerWaalsContact O-CB 3.3Å; K248-L251 WeakPolarHBondContact O-CB 3.15Å; K248-L251 WeakPolarHBondContact O-CG 3.32Å; K248-L251 PolarHBondContact O-N 2.95Å; D249-L251 VanDerWaalsContact C-N 3.28Å; D249-L251 PolarHBondContact O-N 3.47Å; L251-L264 HydrophobicContact CD2-CB 4.27Å; L251-L264 HydrophobicContact CD2-CD2 4.11Å; L251-L264 HydrophobicContact CD2-CG 4.17Å; L251-W266 HydrophobicContact CD1-CG 4.41Å; L251-W266 HydrophobicContact CD2-CB 4.11Å; L251-W266 HydrophobicContact CD2-CG 4.28Å
252	V	94.2	Very high	94.4	Very high	92 Å²	92	70.5 Å²	70.5	56%	0.558	35%	0.347	S	S	*	.	S	Bend	trans	-117	1.1	-175.3	-66	0	0	0	0	112.8	D249 L250 T263	D249-V252 WeakPolarHBondContact O-CG2 3.48Å; D249-V252 PolarHBondContact O-N 3.01Å; L250-V252 PolarHBondContact O-N 3.09Å; V252-T263 HydrophobicContact CG1-CG2 3.74Å
253	H	96.1	Very high	94	Very high	26 Å²	26	68.7 Å²	68.7	12%	0.12	35%	0.346	C	S	.	.			trans	-59.8	134.7	-179.4	-178.7	-88.6	0	0	0	110.9	D249 L250 W255 V256 A257	D249-H253 PolarHBondContact O-N 2.68Å; L250-H253 PolarHBondContact O-N 3.16Å; H253-W255 VanDerWaalsContact C-N 3.33Å; H253-W255 PolarHBondContact ND1-N 2.77Å; H253-W255 PolarHBondContact O-N 2.89Å; H253-W255 VanDerWaalsContact O-N 3.15Å; H253-V256 HydrophobicContact CB-CB 4.37Å; H253-V256 HydrophobicContact CB-CG2 4.07Å; H253-V256 WeakPolarHBondContact O-CA 3.35Å; H253-V256 WeakPolarHBondContact O-CB 3.19Å; H253-V256 PolarHBondContact O-N 3.24Å; H253-A257 PolarHBondContact O-N 2.93Å
254	P	94.9	Very high	93.8	Very high	91 Å²	91	62.8 Å²	62.8	59%	0.591	32%	0.321	S	S	*	.	H	α-helix	trans	-51.9	-43.9	-172.4	-31.6	36.5	0	0	0	114.8	V256 A257 R258	P254-V256 VanDerWaalsContact C-N 3.29Å; P254-V256 PolarHBondContact O-N 3.38Å; P254-A257 PolarHBondContact O-N 3.05Å; P254-R258 WeakPolarHBondContact O-CB 3.17Å; P254-R258 PolarHBondContact O-N 2.84Å
255	W	96.6	Very high	93.6	Very high	1 Å²	1	69.7 Å²	69.7	0%	0.004	35%	0.351	C	S	.	.	H	α-helix	trans	-64	-30.7	175.9	-173.6	80.2	0	0	0	113.9	E99 R103 F106 L192 V229 L232 H253	E99-W255 HydrophobicContact CB-CZ2 4.23Å; E99-W255 WeakPolarHBondContact O-CZ2 3.48Å; E99-W255 PolarHBondContact OE2-NE1 3.3Å; R103-W255 HydrophobicContact CB-CH2 3.68Å; R103-W255 HydrophobicContact CB-CZ2 3.88Å; R103-W255 HydrophobicContact CB-CZ3 4.18Å; R103-W255 WeakPolarHBondContact CD-O 3.11Å; R103-W255 HydrophobicContact CG-CE3 4.28Å; R103-W255 HydrophobicContact CG-CH2 4.01Å; R103-W255 HydrophobicContact CG-CZ2 4.3Å; R103-W255 HydrophobicContact CG-CZ3 3.99Å; R103-W255 PolarHBondContact NE-O 2.9Å; F106-W255 HydrophobicContact CB-CH2 4.5Å; F106-W255 HydrophobicContact CB-CZ3 4.23Å; F106-W255 HydrophobicContact CD1-CZ3 4.05Å; F106-W255 HydrophobicContact CG-CZ3 4.45Å; L192-W255 HydrophobicContact CD1-CH2 3.71Å; L192-W255 HydrophobicContact CD1-CZ3 3.86Å; V229-W255 HydrophobicContact CG2-CD2 4.15Å; V229-W255 HydrophobicContact CG2-CG 4.16Å; V229-W255 HydrophobicContact CG2-CZ2 4.09Å; L232-W255 HydrophobicContact CD2-CB 4.26Å; L232-W255 HydrophobicContact CD2-CD2 4.14Å; L232-W255 HydrophobicContact CD2-CE3 3.5Å; L232-W255 VanDerWaalsContact CD2-CE3 3.5Å; L232-W255 HydrophobicContact CD2-CG 4.46Å; L232-W255 HydrophobicContact CD2-CZ3 4.19Å; H253-W255 VanDerWaalsContact C-N 3.33Å; H253-W255 PolarHBondContact ND1-N 2.77Å; H253-W255 PolarHBondContact O-N 2.89Å; H253-W255 VanDerWaalsContact O-N 3.15Å
256	V	96.5	Very high	93.4	Very high	1 Å²	1	70.3 Å²	70.3	1%	0.006	35%	0.352	C	S	.	.	H	α-helix	trans	-79.7	-36	-179.6	-179.7	0	0	0	0	110.5	R107 I110 L232 L250 H253 P254 L264	R107-V256 WeakPolarHBondContact CD-O 3.28Å; R107-V256 HydrophobicContact CG-CG1 3.8Å; R107-V256 PolarHBondContact NH1-O 3.13Å; I110-V256 HydrophobicContact CD1-CB 4.4Å; I110-V256 HydrophobicContact CD1-CG1 3.75Å; I110-V256 HydrophobicContact CD1-CG2 3.67Å; L232-V256 HydrophobicContact CD2-CG2 4.26Å; L250-V256 WeakPolarHBondContact O-CB 3.5Å; L250-V256 WeakPolarHBondContact O-CG1 3.32Å; H253-V256 HydrophobicContact CB-CB 4.37Å; H253-V256 HydrophobicContact CB-CG2 4.07Å; H253-V256 WeakPolarHBondContact O-CA 3.35Å; H253-V256 WeakPolarHBondContact O-CB 3.19Å; H253-V256 PolarHBondContact O-N 3.24Å; P254-V256 VanDerWaalsContact C-N 3.29Å; P254-V256 PolarHBondContact O-N 3.38Å; V256-L264 HydrophobicContact CG1-CD2 4.2Å
257	A	94.6	Very high	93.4	Very high	34 Å²	34	68.4 Å²	68.4	28%	0.281	35%	0.345	S	S	.	.	H	α-helix	trans	-76.8	-24.8	175.2	0	0	0	0	0	113.5	H253 P254 D259 F260	H253-A257 PolarHBondContact O-N 2.93Å; P254-A257 PolarHBondContact O-N 3.05Å; A257-D259 PolarHBondContact O-N 3.35Å; A257-F260 WeakPolarHBondContact O-CB 3.27Å; A257-F260 PolarHBondContact O-N 2.82Å
258	R	94.6	Very high	93.2	Very high	137 Å²	137	69 Å²	69	52%	0.517	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	130.8	-178.4	177	171.1	-179.8	173.3	8.6	112.3	R103 P254 F260	R103-R258 VanDerWaalsContact CD-O 3.31Å; R103-R258 WeakPolarHBondContact CD-O 3.31Å; R103-R258 PolarHBondContact NH1-O 3.26Å; P254-R258 WeakPolarHBondContact O-CB 3.17Å; P254-R258 PolarHBondContact O-N 2.84Å; R258-F260 VanDerWaalsContact C-N 3.29Å; R258-F260 WeakPolarHBondContact O-CD2 3.43Å
259	D	92.4	Very high	92.8	Very high	105 Å²	105	70.7 Å²	70.7	56%	0.561	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.5	21.9	-177.3	-39.7	-30.4	0	0	0	113.6	R103 A257	R103-D259 IonicContact CZ-OD2 3.23Å; R103-D259 IonicContact NH1-OD2 2.75Å; R103-D259 PolarHBondContact NH1-OD2 2.86Å; R103-D259 IonicContact NH2-OD2 2.77Å; A257-D259 PolarHBondContact O-N 3.35Å
260	F	91.7	Very high	92	Very high	57 Å²	57	70.7 Å²	70.7	25%	0.25	36%	0.357	C	S	.	.			trans	-133.6	122.6	173.1	-69.5	-87.7	0	0	0	113.3	L104 A257 R258 F262	L104-F260 HydrophobicContact CD2-CE2 4.46Å; L104-F260 HydrophobicContact CD2-CZ 3.73Å; A257-F260 WeakPolarHBondContact O-CB 3.27Å; A257-F260 PolarHBondContact O-N 2.82Å; R258-F260 VanDerWaalsContact C-N 3.29Å; R258-F260 WeakPolarHBondContact O-CD2 3.43Å; F260-F262 HydrophobicContact CD1-CE1 4.36Å; F260-F262 HydrophobicContact CD1-CZ 4.15Å; F260-F262 PolarHBondContact O-N 2.93Å
261	N	86.6	Confident	91	Very high	172 Å²	172	76.5 Å²	76.5	92%	0.92	38%	0.384	S	S	*	.	S	Bend	trans	-71.4	7.7	178.1	-58.8	4.7	0	0	0	114.3
262	F	85.2	Confident	89.8	Confident	126 Å²	126	78.2 Å²	78.2	55%	0.553	40%	0.396	S	S	*	.	S	Bend	trans	-148.6	138.9	-177.4	59	-90.5	0	0	0	113.4	R107 F260	R107-F262 PolarHBondContact NH2-O 3.12Å; F260-F262 HydrophobicContact CD1-CE1 4.36Å; F260-F262 HydrophobicContact CD1-CZ 4.15Å; F260-F262 PolarHBondContact O-N 2.93Å
263	T	86.6	Confident	88.9	Confident	86 Å²	86	78.8 Å²	78.8	53%	0.528	41%	0.405	S	S	.	.			trans	-53.2	140.5	171.3	-50.6	0	0	0	0	111.1	V252 K265	V252-T263 HydrophobicContact CG1-CG2 3.74Å; T263-K265 PolarHBondContact O-N 3.36Å; T263-K265 VanDerWaalsContact O-N 3.09Å
264	L	92.8	Very high	88.2	Confident	18 Å²	18	82.7 Å²	82.7	9%	0.094	43%	0.425	C	S	.	.			trans	-63.8	111.5	-178.5	179.7	59.5	0	0	0	111.2	R107 I110 A111 L251 V256 W266	R107-L264 HydrophobicContact CB-CD1 3.99Å; R107-L264 HydrophobicContact CB-CD2 4.22Å; R107-L264 HydrophobicContact CG-CD1 4.4Å; R107-L264 HydrophobicContact CG-CD2 4.32Å; R107-L264 WeakPolarHBondContact O-CD2 3.38Å; I110-L264 HydrophobicContact CB-CD2 3.74Å; I110-L264 HydrophobicContact CG2-CD2 3.63Å; A111-L264 HydrophobicContact CB-CD1 4.31Å; A111-L264 HydrophobicContact CB-CG 4.48Å; L251-L264 HydrophobicContact CD2-CB 4.27Å; L251-L264 HydrophobicContact CD2-CD2 4.11Å; L251-L264 HydrophobicContact CD2-CG 4.17Å; V256-L264 HydrophobicContact CG1-CD2 4.2Å; L264-W266 PolarHBondContact O-N 3.37Å
265	K	93.2	Very high	87.9	Confident	156 Å²	156	80 Å²	80	68%	0.678	41%	0.406	S	S	*	.			trans	-77.3	117.9	172.3	-62.8	-174.8	-178.4	179.8	0	109.5	T263	T263-K265 PolarHBondContact O-N 3.36Å; T263-K265 VanDerWaalsContact O-N 3.09Å
266	W	94.8	Very high	87.7	Confident	42 Å²	42	81.6 Å²	81.6	16%	0.159	41%	0.414	C	S	.	.			trans	-100.4	-12	176.8	62.7	-91.8	0	0	0	112.6	H72 A111 T114 F115 E118 L251 L264	H72-W266 PolarHBondContact CD2-O 2.92Å; H72-W266 PolarHBondContact NE2-O 3.28Å; A111-W266 HydrophobicContact CB-CB 4.41Å; T114-W266 HydrophobicContact CG2-CB 4.04Å; T114-W266 HydrophobicContact CG2-CD2 3.79Å; T114-W266 HydrophobicContact CG2-CE3 4.29Å; T114-W266 HydrophobicContact CG2-CG 3.65Å; F115-W266 HydrophobicContact CB-CE3 4.11Å; F115-W266 HydrophobicContact CD2-CE3 4.13Å; F115-W266 HydrophobicContact CD2-CZ3 4.17Å; E118-W266 HydrophobicContact CB-CE3 4.49Å; E118-W266 HydrophobicContact CB-CH2 3.66Å; E118-W266 HydrophobicContact CB-CZ3 3.62Å; E118-W266 HydrophobicContact CG-CE3 4.41Å; E118-W266 HydrophobicContact CG-CH2 3.6Å; E118-W266 HydrophobicContact CG-CZ2 4.03Å; E118-W266 HydrophobicContact CG-CZ3 3.82Å; L251-W266 HydrophobicContact CD1-CG 4.41Å; L251-W266 HydrophobicContact CD2-CB 4.11Å; L251-W266 HydrophobicContact CD2-CG 4.28Å; L264-W266 PolarHBondContact O-N 3.37Å
267	Q	94.3	Very high	87.6	Confident	97 Å²	97	89.6 Å²	89.6	45%	0.453	44%	0.444	S	S	.	.	S	Bend	trans	-62.6	146.8	177.3	-61.7	82.7	-3.8	0	0	110	Q73	Q73-Q267 PolarHBondContact NE2-O 2.79Å
268	S	90.7	Very high	87.6	Confident	25 Å²	25	93 Å²	93	18%	0.175	46%	0.455	C	S	.	.			trans	-67.7	135.6	177.5	-169.9	0	0	0	0	111.7	H71 Y270	H71-S268 WeakPolarHBondContact O-CB 3.31Å; H71-S268 PolarHBondContact O-OG 2.81Å; S268-Y270 PolarHBondContact O-N 2.93Å; S268-Y270 WeakPolarHBondContact OG-CB 3.26Å; S268-Y270 PolarHBondContact OG-N 2.69Å; S268-Y270 PolarHBondContact OG-O 3.34Å
269	L	85.9	Confident	87.7	Confident	135 Å²	135	86.5 Å²	86.5	71%	0.707	43%	0.43	S	S	*	.	S	Bend	trans	-71.3	-5.5	165.2	-60.5	177.6	0	0	0	112.3	Q73	Q73-L269 HydrophobicContact CB-CD1 4.21Å; Q73-L269 HydrophobicContact CG-CD1 4.18Å; Q73-L269 HydrophobicContact CG-CG 4.39Å
270	Y	79.1	Confident	87.9	Confident	67 Å²	67	81.5 Å²	81.5	26%	0.263	40%	0.403	S	S	.	.			trans	-109.3	125.7	-178	-48.2	-46.7	0	0	0	111	H71 Q73 S268	H71-Y270 HydrophobicContact CB-CD2 4.49Å; Q73-Y270 HydrophobicContact CB-CE2 4.44Å; S268-Y270 PolarHBondContact O-N 2.93Å; S268-Y270 WeakPolarHBondContact OG-CB 3.26Å; S268-Y270 PolarHBondContact OG-N 2.69Å; S268-Y270 PolarHBondContact OG-O 3.34Å
271	Q	75.8	Confident	88.1	Confident	122 Å²	122	82.9 Å²	82.9	57%	0.57	41%	0.411	S	S	*	.			trans	-114.5	99.4	176.6	-60	-173.1	24.7	0	0	109.2	S273 I274	Q271-S273 PolarHBondContact O-N 2.93Å; Q271-I274 HydrophobicContact CB-CD1 4.11Å; Q271-I274 HydrophobicContact CB-CG1 4.13Å; Q271-I274 PolarHBondContact O-N 3.48Å
272	P	69.7	Low	88.6	Confident	52 Å²	52	76.6 Å²	76.6	34%	0.338	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-11.6	-176.4	-23.4	34.1	0	0	0	115.1	I274 W301	P272-I274 VanDerWaalsContact C-N 3.32Å; P272-W301 HydrophobicContact CB-CZ2 4.24Å
273	S	74.6	Confident	89.1	Confident	104 Å²	104	70.8 Å²	70.8	73%	0.727	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-22.3	169.8	43.6	0	0	0	0	113.5	Q271	Q271-S273 PolarHBondContact O-N 2.93Å
274	I	81.9	Confident	89.6	Confident	109 Å²	109	66.9 Å²	66.9	56%	0.559	33%	0.327	S	S	*	.			trans	-98.7	114.5	179.3	-56.6	-178.4	0	0	0	108.4	Q271 P272	Q271-I274 HydrophobicContact CB-CD1 4.11Å; Q271-I274 HydrophobicContact CB-CG1 4.13Å; Q271-I274 PolarHBondContact O-N 3.48Å; P272-I274 VanDerWaalsContact C-N 3.32Å
275	I	88.8	Confident	89.7	Confident	35 Å²	35	68.1 Å²	68.1	18%	0.179	34%	0.341	C	S	.	.			trans	-99.7	123.7	176.5	-65.7	172.6	0	0	0	108.4	R277 V280 V295 L298 K299 Y310	I275-R277 PolarHBondContact O-N 3.33Å; I275-V280 HydrophobicContact CG2-CG2 3.38Å; I275-V295 HydrophobicContact CD1-CG1 4.19Å; I275-V295 HydrophobicContact CG2-CG2 4.49Å; I275-L298 HydrophobicContact CD1-CB 4.25Å; I275-L298 HydrophobicContact CG2-CD1 4.28Å; I275-K299 HydrophobicContact CD1-CG 4.09Å; I275-Y310 WeakPolarHBondContact CA-OH 3.4Å; I275-Y310 HydrophobicContact CG2-CE2 4.03Å
276	D	92.6	Very high	89.8	Confident	34 Å²	34	62.4 Å²	62.4	18%	0.182	32%	0.315	C	S	.	.			trans	-69.8	117.8	-178.4	-177	-81.8	0	0	0	111	E278 C279 V280 Y310 L314 K317	D276-E278 PolarHBondContact O-N 3.04Å; D276-E278 PolarHBondContact OD1-N 3.33Å; D276-E278 VanDerWaalsContact OD1-N 3.15Å; D276-C279 HydrophobicContact CB-CB 4.17Å; D276-C279 PolarHBondContact O-N 3.28Å; D276-C279 PolarHBondContact OD1-N 3.4Å; D276-C279 PolarHBondContact OD1-SG 3.28Å; D276-V280 WeakPolarHBondContact O-CG2 3.48Å; D276-V280 PolarHBondContact O-N 3.42Å; D276-V280 VanDerWaalsContact O-N 3.1Å; D276-Y310 HydrophobicContact CB-CE2 4.26Å; D276-Y310 PolarHBondContact N-OH 3.36Å; D276-L314 HydrophobicContact CB-CD1 3.86Å; D276-K317 IonicContact OD1-NZ 2.67Å; D276-K317 PolarHBondContact OD1-NZ 3.3Å; D276-K317 WeakPolarHBondContact OD2-CE 3.37Å; D276-K317 IonicContact OD2-NZ 2.95Å; D276-K317 PolarHBondContact OD2-NZ 2.95Å
277	R	93.7	Very high	89.8	Confident	169 Å²	169	63.4 Å²	63.4	64%	0.638	32%	0.321	S	S	*	.	H	α-helix	trans	-67.7	-32.9	-171	-167.3	174.7	-174.2	-92.7	3.6	113.1	I275 M281	I275-R277 PolarHBondContact O-N 3.33Å; R277-M281 HydrophobicContact CG-CG 4.47Å; R277-M281 HydrophobicContact CG-SD 4.14Å; R277-M281 PolarHBondContact NH1-SD 3.15Å; R277-M281 WeakPolarHBondContact O-CB 3.45Å; R277-M281 WeakPolarHBondContact O-CG 3.43Å; R277-M281 PolarHBondContact O-N 3.42Å
278	E	95.2	Very high	89.7	Confident	106 Å²	106	64.8 Å²	64.8	50%	0.495	33%	0.326	S	S	.	.	H	α-helix	trans	-72.5	-46.3	178.6	-70.1	159.1	-133.7	0	0	111.1	D276 V280 M281 E282 K317 I323	D276-E278 PolarHBondContact O-N 3.04Å; D276-E278 PolarHBondContact OD1-N 3.33Å; D276-E278 VanDerWaalsContact OD1-N 3.15Å; E278-V280 PolarHBondContact O-N 3.22Å; E278-M281 PolarHBondContact O-N 2.99Å; E278-M281 VanDerWaalsContact O-N 3.13Å; E278-E282 PolarHBondContact O-N 3.46Å; E278-K317 IonicContact OE1-NZ 3.83Å; E278-K317 PolarHBondContact OE1-NZ 3.49Å; E278-K317 VanDerWaalsContact OE2-CE 3.26Å; E278-K317 WeakPolarHBondContact OE2-CE 3.25Å; E278-K317 IonicContact OE2-NZ 3.68Å; E278-K317 PolarHBondContact OE2-NZ 3.44Å; E278-I323 HydrophobicContact CB-CD1 3.97Å
279	C	95.8	Very high	89.9	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-59.6	-34.2	175.8	-61.8	0	0	0	0	111.6	D276 I283 Y310 L313	D276-C279 HydrophobicContact CB-CB 4.17Å; D276-C279 PolarHBondContact O-N 3.28Å; D276-C279 PolarHBondContact OD1-N 3.4Å; D276-C279 PolarHBondContact OD1-SG 3.28Å; C279-I283 WeakPolarHBondContact O-CD1 3.38Å; C279-I283 WeakPolarHBondContact O-CG1 3.42Å; C279-I283 PolarHBondContact O-N 3.27Å; C279-Y310 HydrophobicContact CB-CD2 3.93Å; C279-Y310 HydrophobicContact CB-CE2 3.89Å; C279-L313 HydrophobicContact CB-CB 4.09Å
280	V	96.3	Very high	90.4	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-74.8	-42.5	172.7	171.8	0	0	0	0	112.9	I275 D276 E278 E282 I283 A284 V291 I294 V295 L298 Y310	I275-V280 HydrophobicContact CG2-CG2 3.38Å; D276-V280 WeakPolarHBondContact O-CG2 3.48Å; D276-V280 PolarHBondContact O-N 3.42Å; D276-V280 VanDerWaalsContact O-N 3.1Å; E278-V280 PolarHBondContact O-N 3.22Å; V280-E282 VanDerWaalsContact C-N 3.25Å; V280-E282 PolarHBondContact O-N 3.24Å; V280-I283 PolarHBondContact O-N 3.42Å; V280-A284 VanDerWaalsContact O-CB 3.28Å; V280-A284 WeakPolarHBondContact O-CB 3Å; V280-A284 PolarHBondContact O-N 3.36Å; V280-V291 HydrophobicContact CG1-CB 4.49Å; V280-V291 HydrophobicContact CG1-CG1 3.89Å; V280-I294 HydrophobicContact CB-CG2 4.46Å; V280-I294 HydrophobicContact CG1-CB 3.81Å; V280-I294 HydrophobicContact CG1-CG2 3.7Å; V280-I294 HydrophobicContact CG2-CG2 4.29Å; V280-V295 HydrophobicContact CG1-CG2 4.02Å; V280-L298 HydrophobicContact CG2-CD1 3.65Å; V280-Y310 HydrophobicContact CG2-CD2 4.07Å; V280-Y310 HydrophobicContact CG2-CE2 4.05Å
281	M	96.6	Very high	91.2	Very high	85 Å²	85	61.9 Å²	61.9	42%	0.419	32%	0.322	S	S	.	.	H	α-helix	trans	-58.2	-39.3	178.2	-82.3	172.2	60.4	0	0	111.8	R277 E278 A284 A285 V291	R277-M281 HydrophobicContact CG-CG 4.47Å; R277-M281 HydrophobicContact CG-SD 4.14Å; R277-M281 PolarHBondContact NH1-SD 3.15Å; R277-M281 WeakPolarHBondContact O-CB 3.45Å; R277-M281 WeakPolarHBondContact O-CG 3.43Å; R277-M281 PolarHBondContact O-N 3.42Å; E278-M281 PolarHBondContact O-N 2.99Å; E278-M281 VanDerWaalsContact O-N 3.13Å; M281-A284 PolarHBondContact O-N 3.26Å; M281-A285 VanDerWaalsContact O-CB 3.24Å; M281-A285 WeakPolarHBondContact O-CB 3.35Å; M281-A285 PolarHBondContact O-N 3.18Å; M281-V291 HydrophobicContact CG-CG2 3.7Å
282	E	96.9	Very high	92.2	Very high	40 Å²	40	61.1 Å²	61.1	19%	0.187	32%	0.322	C	S	.	.	H	α-helix	trans	-64.5	-46.3	176.6	-172.9	61.9	-162.7	0	0	112.2	E278 V280 A285 R286 L313 F324 L325	E278-E282 PolarHBondContact O-N 3.46Å; V280-E282 VanDerWaalsContact C-N 3.25Å; V280-E282 PolarHBondContact O-N 3.24Å; E282-A285 PolarHBondContact O-N 3.12Å; E282-R286 PolarHBondContact O-N 3.5Å; E282-L313 HydrophobicContact CB-CD1 4.4Å; E282-L313 HydrophobicContact CG-CD1 4.39Å; E282-F324 WeakPolarHBondContact OE1-CA 3.46Å; E282-L325 HydrophobicContact CG-CB 4.29Å; E282-L325 HydrophobicContact CG-CD1 4.22Å; E282-L325 HydrophobicContact CG-CG 3.88Å; E282-L325 PolarHBondContact OE1-N 3.29Å
283	I	96.8	Very high	93.4	Very high	4 Å²	4	60.2 Å²	60.2	2%	0.021	32%	0.319	C	S	.	.	H	α-helix	trans	-63.4	-44	176.2	-66.8	167.9	0	0	0	111	C279 V280 A285 R286 E287 I294 L306 T309 L313 L325	C279-I283 WeakPolarHBondContact O-CD1 3.38Å; C279-I283 WeakPolarHBondContact O-CG1 3.42Å; C279-I283 PolarHBondContact O-N 3.27Å; V280-I283 PolarHBondContact O-N 3.42Å; I283-A285 VanDerWaalsContact C-N 3.34Å; I283-A285 PolarHBondContact O-N 3.44Å; I283-R286 PolarHBondContact O-N 2.95Å; I283-E287 HydrophobicContact CG2-CG 4.46Å; I283-E287 WeakPolarHBondContact O-CB 2.77Å; I283-E287 WeakPolarHBondContact O-CG 3.5Å; I283-E287 PolarHBondContact O-N 2.81Å; I283-I294 HydrophobicContact CB-CG2 4.47Å; I283-I294 HydrophobicContact CG2-CD1 3.93Å; I283-I294 HydrophobicContact CG2-CG1 4.2Å; I283-I294 HydrophobicContact CG2-CG2 4.05Å; I283-L306 HydrophobicContact CD1-CD1 4.45Å; I283-L306 HydrophobicContact CG2-CD1 3.62Å; I283-T309 HydrophobicContact CD1-CG2 4.02Å; I283-T309 HydrophobicContact CG1-CG2 4.07Å; I283-L313 HydrophobicContact CD1-CD1 4.2Å; I283-L313 HydrophobicContact CG1-CD1 3.96Å; I283-L325 HydrophobicContact CG1-CD1 3.97Å
284	A	96.4	Very high	94.4	Very high	4 Å²	4	55.5 Å²	55.5	3%	0.033	29%	0.286	C	S	.	.	H	α-helix	trans	-62.4	-41.1	178.3	0	0	0	0	0	111.8	V280 M281 E287 F288 V289 V291 I294	V280-A284 VanDerWaalsContact O-CB 3.28Å; V280-A284 WeakPolarHBondContact O-CB 3Å; V280-A284 PolarHBondContact O-N 3.36Å; M281-A284 PolarHBondContact O-N 3.26Å; A284-E287 PolarHBondContact O-N 3.17Å; A284-F288 PolarHBondContact O-N 3.07Å; A284-V289 WeakPolarHBondContact CB-O 3.33Å; A284-V289 PolarHBondContact O-N 3.35Å; A284-V289 VanDerWaalsContact O-N 3.16Å; A284-V291 HydrophobicContact CB-CG2 4.25Å; A284-I294 HydrophobicContact CB-CG1 3.96Å
285	A	95.2	Very high	95	Very high	45 Å²	45	51.6 Å²	51.6	37%	0.372	27%	0.267	S	S	.	.	H	α-helix	trans	-66.9	-38	176.5	0	0	0	0	0	113	M281 E282 I283	M281-A285 VanDerWaalsContact O-CB 3.24Å; M281-A285 WeakPolarHBondContact O-CB 3.35Å; M281-A285 PolarHBondContact O-N 3.18Å; E282-A285 PolarHBondContact O-N 3.12Å; I283-A285 VanDerWaalsContact C-N 3.34Å; I283-A285 PolarHBondContact O-N 3.44Å
286	R	95	Very high	95.2	Very high	36 Å²	36	54 Å²	54	14%	0.136	28%	0.28	C	S	.	.	H	α-helix	trans	-69	-42	174.3	177.2	-173.4	156.4	84.4	4.7	112.4	E282 I283 F288 L325 P326 P327 K328	E282-R286 PolarHBondContact O-N 3.5Å; I283-R286 PolarHBondContact O-N 2.95Å; R286-F288 VanDerWaalsContact C-N 3.34Å; R286-F288 WeakPolarHBondContact O-CD2 3.42Å; R286-F288 WeakPolarHBondContact O-CE2 3.48Å; R286-L325 HydrophobicContact CB-CD1 4.32Å; R286-P326 PolarHBondContact NH1-O 3.09Å; R286-P327 PolarHBondContact NH1-O 3.2Å; R286-K328 HydrophobicContact CG-CB 4.49Å
287	E	93.5	Very high	95.2	Very high	62 Å²	62	57.6 Å²	57.6	29%	0.29	29%	0.294	S	S	.	.	H	α-helix	trans	-89.8	1.2	-173.1	-62.8	-59.2	136.3	0	0	113.5	I283 A284 V289 K328	I283-E287 HydrophobicContact CG2-CG 4.46Å; I283-E287 WeakPolarHBondContact O-CB 2.77Å; I283-E287 WeakPolarHBondContact O-CG 3.5Å; I283-E287 PolarHBondContact O-N 2.81Å; A284-E287 PolarHBondContact O-N 3.17Å; E287-V289 HydrophobicContact CB-CG2 4.2Å; E287-K328 IonicContact OE2-NZ 2.71Å; E287-K328 PolarHBondContact OE2-NZ 2.94Å
288	F	93.8	Very high	95.1	Very high	126 Å²	126	49.6 Å²	49.6	55%	0.553	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.7	44.9	178.1	-62.2	-94.9	0	0	0	113.6	A284 R286 K328 S331	A284-F288 PolarHBondContact O-N 3.07Å; R286-F288 VanDerWaalsContact C-N 3.34Å; R286-F288 WeakPolarHBondContact O-CD2 3.42Å; R286-F288 WeakPolarHBondContact O-CE2 3.48Å; F288-K328 HydrophobicContact CE2-CB 4.48Å; F288-S331 VanDerWaalsContact CZ-CB 3.43Å
289	V	94.9	Very high	94.8	Very high	63 Å²	63	50.5 Å²	50.5	38%	0.382	27%	0.266	S	S	.	.	S	Bend	trans	-131.9	168.3	178.9	-66.7	0	0	0	0	111.3	A284 E287 A293 I294	A284-V289 WeakPolarHBondContact CB-O 3.33Å; A284-V289 PolarHBondContact O-N 3.35Å; A284-V289 VanDerWaalsContact O-N 3.16Å; E287-V289 HydrophobicContact CB-CG2 4.2Å; V289-A293 HydrophobicContact CB-CB 4.42Å; V289-I294 HydrophobicContact CG2-CD1 3.59Å; V289-I294 HydrophobicContact CG2-CG1 3.7Å
290	S	96.1	Very high	94.4	Very high	67 Å²	67	55.6 Å²	55.6	47%	0.469	29%	0.29	S	S	.	.			trans	-69.3	153.2	175	65.7	0	0	0	0	112.4	D292 A293 I294	S290-D292 VanDerWaalsContact C-N 3.26Å; S290-D292 PolarHBondContact O-N 3.45Å; S290-A293 PolarHBondContact O-N 2.65Å; S290-A293 WeakPolarHBondContact OG-CB 3.07Å; S290-A293 PolarHBondContact OG-N 3.42Å; S290-I294 PolarHBondContact O-N 2.7Å
291	V	95.9	Very high	93.9	Very high	37 Å²	37	58.4 Å²	58.4	22%	0.224	30%	0.301	C	S	.	.	H	α-helix	trans	-52.5	-46.8	171.8	168	0	0	0	0	110.3	V280 M281 A284 A293 I294 V295	V280-V291 HydrophobicContact CG1-CB 4.49Å; V280-V291 HydrophobicContact CG1-CG1 3.89Å; M281-V291 HydrophobicContact CG-CG2 3.7Å; A284-V291 HydrophobicContact CB-CG2 4.25Å; V291-A293 VanDerWaalsContact C-N 3.32Å; V291-A293 PolarHBondContact O-N 3.07Å; V291-I294 PolarHBondContact O-N 3.31Å; V291-I294 VanDerWaalsContact O-N 3.09Å; V291-V295 HydrophobicContact CG1-CG2 4.17Å; V291-V295 WeakPolarHBondContact O-CG2 3.49Å; V291-V295 PolarHBondContact O-N 3.26Å
292	D	95.7	Very high	93.4	Very high	105 Å²	105	60 Å²	60	56%	0.561	31%	0.306	S	S	*	.	H	α-helix	trans	-64.7	-32.5	-178.5	-55	-76.8	0	0	0	113.5	S290 I294 V295 N296	S290-D292 VanDerWaalsContact C-N 3.26Å; S290-D292 PolarHBondContact O-N 3.45Å; D292-I294 VanDerWaalsContact C-N 3.32Å; D292-I294 PolarHBondContact O-N 3.48Å; D292-V295 PolarHBondContact O-N 2.94Å; D292-N296 VanDerWaalsContact O-CB 3.3Å; D292-N296 WeakPolarHBondContact O-CB 3.3Å; D292-N296 VanDerWaalsContact O-CG 3.22Å; D292-N296 PolarHBondContact O-N 2.96Å; D292-N296 PolarHBondContact O-ND2 3.45Å
293	A	95.7	Very high	92.9	Very high	34 Å²	34	61.5 Å²	61.5	28%	0.281	31%	0.31	S	S	.	.	H	α-helix	trans	-66.6	-34	174.1	0	0	0	0	0	112.2	V289 S290 V291 K297	V289-A293 HydrophobicContact CB-CB 4.42Å; S290-A293 PolarHBondContact O-N 2.65Å; S290-A293 WeakPolarHBondContact OG-CB 3.07Å; S290-A293 PolarHBondContact OG-N 3.42Å; V291-A293 VanDerWaalsContact C-N 3.32Å; V291-A293 PolarHBondContact O-N 3.07Å; A293-K297 VanDerWaalsContact O-CG 3.31Å; A293-K297 WeakPolarHBondContact O-CG 3.32Å; A293-K297 PolarHBondContact O-N 3.03Å
294	I	96	Very high	92.6	Very high	4 Å²	4	64.7 Å²	64.7	2%	0.021	33%	0.327	C	S	.	.	H	α-helix	trans	-75.9	-44.6	172.3	-61.8	-59.6	0	0	0	111.1	V280 I283 A284 V289 S290 V291 D292 N296 K297 L298 L306	V280-I294 HydrophobicContact CB-CG2 4.46Å; V280-I294 HydrophobicContact CG1-CB 3.81Å; V280-I294 HydrophobicContact CG1-CG2 3.7Å; V280-I294 HydrophobicContact CG2-CG2 4.29Å; I283-I294 HydrophobicContact CB-CG2 4.47Å; I283-I294 HydrophobicContact CG2-CD1 3.93Å; I283-I294 HydrophobicContact CG2-CG1 4.2Å; I283-I294 HydrophobicContact CG2-CG2 4.05Å; A284-I294 HydrophobicContact CB-CG1 3.96Å; V289-I294 HydrophobicContact CG2-CD1 3.59Å; V289-I294 HydrophobicContact CG2-CG1 3.7Å; S290-I294 PolarHBondContact O-N 2.7Å; V291-I294 PolarHBondContact O-N 3.31Å; V291-I294 VanDerWaalsContact O-N 3.09Å; D292-I294 VanDerWaalsContact C-N 3.32Å; D292-I294 PolarHBondContact O-N 3.48Å; I294-N296 VanDerWaalsContact C-N 3.29Å; I294-N296 PolarHBondContact O-N 3.43Å; I294-K297 PolarHBondContact O-N 3.42Å; I294-L298 HydrophobicContact CG2-CD1 3.78Å; I294-L298 HydrophobicContact CG2-CG 4.2Å; I294-L298 WeakPolarHBondContact O-CB 3.48Å; I294-L298 WeakPolarHBondContact O-CG 3.4Å; I294-L298 PolarHBondContact O-N 2.89Å; I294-L306 HydrophobicContact CD1-CD1 4.31Å; I294-L306 HydrophobicContact CG2-CD1 4.18Å
295	V	94.3	Very high	92.4	Very high	28 Å²	28	66.8 Å²	66.8	17%	0.17	34%	0.336	C	S	.	.	H	α-helix	trans	-53.9	-46.8	175.5	167.5	0	0	0	0	110.9	I275 V280 V291 D292 L298 K299	I275-V295 HydrophobicContact CD1-CG1 4.19Å; I275-V295 HydrophobicContact CG2-CG2 4.49Å; V280-V295 HydrophobicContact CG1-CG2 4.02Å; V291-V295 HydrophobicContact CG1-CG2 4.17Å; V291-V295 WeakPolarHBondContact O-CG2 3.49Å; V291-V295 PolarHBondContact O-N 3.26Å; D292-V295 PolarHBondContact O-N 2.94Å; V295-L298 PolarHBondContact O-N 2.91Å; V295-K299 HydrophobicContact CG1-CD 4.39Å; V295-K299 WeakPolarHBondContact O-CG 3.25Å; V295-K299 PolarHBondContact O-N 3.44Å
296	N	93.2	Very high	92.3	Very high	85 Å²	85	66 Å²	66	46%	0.455	33%	0.325	S	S	.	.	H	α-helix	trans	-69.7	-35.3	-177.2	-70.1	-23.7	0	0	0	112.7	D292 I294 K299	D292-N296 VanDerWaalsContact O-CB 3.3Å; D292-N296 WeakPolarHBondContact O-CB 3.3Å; D292-N296 VanDerWaalsContact O-CG 3.22Å; D292-N296 PolarHBondContact O-N 2.96Å; D292-N296 PolarHBondContact O-ND2 3.45Å; I294-N296 VanDerWaalsContact C-N 3.29Å; I294-N296 PolarHBondContact O-N 3.43Å; N296-K299 PolarHBondContact OD1-NZ 2.91Å
297	K	93.2	Very high	92.2	Very high	110 Å²	110	64.3 Å²	64.3	48%	0.478	32%	0.319	S	S	.	.	H	α-helix	trans	-66.7	-41.5	170.4	-71.1	173.3	-177	-179.4	0	112.3	A293 I294 K299 E300 L306	A293-K297 VanDerWaalsContact O-CG 3.31Å; A293-K297 WeakPolarHBondContact O-CG 3.32Å; A293-K297 PolarHBondContact O-N 3.03Å; I294-K297 PolarHBondContact O-N 3.42Å; K297-K299 VanDerWaalsContact C-N 3.33Å; K297-K299 PolarHBondContact O-N 3.06Å; K297-E300 VanDerWaalsContact O-CB 3.32Å; K297-E300 WeakPolarHBondContact O-CB 3.45Å; K297-E300 PolarHBondContact O-N 2.95Å; K297-E300 VanDerWaalsContact O-N 3.15Å; K297-L306 HydrophobicContact CB-CD2 3.6Å; K297-L306 HydrophobicContact CD-CD2 4.06Å; K297-L306 HydrophobicContact CG-CD2 4.47Å
298	L	91	Very high	92.1	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-65.4	-33.4	178.7	-75.2	172.8	0	0	0	112.7	I275 V280 I294 V295 E300 W301 L306 Y310	I275-L298 HydrophobicContact CD1-CB 4.25Å; I275-L298 HydrophobicContact CG2-CD1 4.28Å; V280-L298 HydrophobicContact CG2-CD1 3.65Å; I294-L298 HydrophobicContact CG2-CD1 3.78Å; I294-L298 HydrophobicContact CG2-CG 4.2Å; I294-L298 WeakPolarHBondContact O-CB 3.48Å; I294-L298 WeakPolarHBondContact O-CG 3.4Å; I294-L298 PolarHBondContact O-N 2.89Å; V295-L298 PolarHBondContact O-N 2.91Å; L298-E300 PolarHBondContact O-N 3.16Å; L298-W301 PolarHBondContact O-N 2.91Å; L298-L306 HydrophobicContact CD2-CD1 4.47Å; L298-L306 HydrophobicContact CD2-CG 3.95Å; L298-L306 HydrophobicContact CG-CG 4.41Å; L298-Y310 HydrophobicContact CD1-CD1 4.26Å; L298-Y310 HydrophobicContact CD1-CD2 3.78Å; L298-Y310 HydrophobicContact CD1-CE2 4.36Å; L298-Y310 HydrophobicContact CD1-CG 3.73Å; L298-Y310 HydrophobicContact CD2-CD1 4.15Å; L298-Y310 HydrophobicContact CD2-CG 3.99Å
299	K	89	Confident	92.1	Very high	125 Å²	125	56.3 Å²	56.3	54%	0.543	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-23.8	173.1	-74.1	169.9	-171.9	159.9	0	113.6	I275 V295 N296 K297 W301	I275-K299 HydrophobicContact CD1-CG 4.09Å; V295-K299 HydrophobicContact CG1-CD 4.39Å; V295-K299 WeakPolarHBondContact O-CG 3.25Å; V295-K299 PolarHBondContact O-N 3.44Å; N296-K299 PolarHBondContact OD1-NZ 2.91Å; K297-K299 VanDerWaalsContact C-N 3.33Å; K297-K299 PolarHBondContact O-N 3.06Å; K299-W301 VanDerWaalsContact C-N 3.26Å; K299-W301 PolarHBondContact O-N 3.4Å
300	E	87.2	Confident	92.1	Very high	108 Å²	108	53.5 Å²	53.5	51%	0.505	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-18.2	176	-54.1	178.8	161.7	0	0	112.8	K297 L298 K302	K297-E300 VanDerWaalsContact O-CB 3.32Å; K297-E300 WeakPolarHBondContact O-CB 3.45Å; K297-E300 PolarHBondContact O-N 2.95Å; K297-E300 VanDerWaalsContact O-N 3.15Å; L298-E300 PolarHBondContact O-N 3.16Å; E300-K302 VanDerWaalsContact C-N 3.32Å; E300-K302 HydrophobicContact CB-CD 4.4Å; E300-K302 HydrophobicContact CB-CG 4.17Å; E300-K302 PolarHBondContact O-N 3.16Å; E300-K302 IonicContact OE1-NZ 3.3Å; E300-K302 WeakPolarHBondContact OE2-CD 3.41Å; E300-K302 WeakPolarHBondContact OE2-CE 3.28Å; E300-K302 IonicContact OE2-NZ 3.45Å; E300-K302 PolarHBondContact OE2-NZ 3.02Å
301	W	84.7	Confident	91.8	Very high	59 Å²	59	51 Å²	51	22%	0.223	25%	0.25	C	S	.	.			trans	44.3	50.5	179.2	-70.8	104.6	0	0	0	113.9	P272 L298 K299 Y303 T307 Y310 L311	P272-W301 HydrophobicContact CB-CZ2 4.24Å; L298-W301 PolarHBondContact O-N 2.91Å; K299-W301 VanDerWaalsContact C-N 3.26Å; K299-W301 PolarHBondContact O-N 3.4Å; W301-Y303 VanDerWaalsContact C-N 3.26Å; W301-Y303 HydrophobicContact CB-CE2 4.25Å; W301-Y303 WeakPolarHBondContact O-CD2 3.44Å; W301-Y303 VanDerWaalsContact O-CE2 3.32Å; W301-Y303 WeakPolarHBondContact O-CE2 3.27Å; W301-Y303 PolarHBondContact O-N 2.87Å; W301-T307 HydrophobicContact CE3-CG2 3.71Å; W301-T307 HydrophobicContact CZ3-CG2 3.93Å; W301-Y310 HydrophobicContact CH2-CD1 4.32Å; W301-Y310 AromaticContact CH2-CE1 3.98Å; W301-Y310 HydrophobicContact CH2-CE1 3.98Å; W301-L311 HydrophobicContact CH2-CD2 4.22Å; W301-L311 HydrophobicContact CZ3-CD1 4.18Å; W301-L311 HydrophobicContact CZ3-CD2 3.99Å; W301-L311 HydrophobicContact CZ3-CG 4.18Å
302	K	87	Confident	91.5	Very high	119 Å²	119	49.2 Å²	49.2	52%	0.517	24%	0.24	S	C	.	.			trans	-71.4	-11	-176.6	-81.1	174.6	171.8	159.1	0	115.3	E300 D304	E300-K302 VanDerWaalsContact C-N 3.32Å; E300-K302 HydrophobicContact CB-CD 4.4Å; E300-K302 HydrophobicContact CB-CG 4.17Å; E300-K302 PolarHBondContact O-N 3.16Å; E300-K302 IonicContact OE1-NZ 3.3Å; E300-K302 WeakPolarHBondContact OE2-CD 3.41Å; E300-K302 WeakPolarHBondContact OE2-CE 3.28Å; E300-K302 IonicContact OE2-NZ 3.45Å; E300-K302 PolarHBondContact OE2-NZ 3.02Å; K302-D304 HydrophobicContact CB-CB 4.35Å; K302-D304 PolarHBondContact O-N 3.11Å
303	Y	86.1	Confident	91.4	Very high	70 Å²	70	44.2 Å²	44.2	28%	0.275	21%	0.213	S	C	.	.			trans	55.5	32.2	-173.3	-67.2	-89.9	0	0	0	113.4	T68 H71 L78 W301 T307 L311	T68-Y303 WeakPolarHBondContact CA-OH 3.41Å; T68-Y303 HydrophobicContact CG2-CD1 4.37Å; T68-Y303 HydrophobicContact CG2-CD2 3.5Å; T68-Y303 VanDerWaalsContact CG2-CD2 3.5Å; T68-Y303 HydrophobicContact CG2-CE1 4.19Å; T68-Y303 HydrophobicContact CG2-CE2 3.31Å; T68-Y303 HydrophobicContact CG2-CG 4.05Å; T68-Y303 PolarHBondContact O-OH 3.3Å; H71-Y303 PolarHBondContact CE1-OH 3.14Å; H71-Y303 PolarHBondContact NE2-OH 3.31Å; L78-Y303 HydrophobicContact CD1-CD1 3.79Å; L78-Y303 HydrophobicContact CD1-CE1 4Å; W301-Y303 VanDerWaalsContact C-N 3.26Å; W301-Y303 HydrophobicContact CB-CE2 4.25Å; W301-Y303 WeakPolarHBondContact O-CD2 3.44Å; W301-Y303 VanDerWaalsContact O-CE2 3.32Å; W301-Y303 WeakPolarHBondContact O-CE2 3.27Å; W301-Y303 PolarHBondContact O-N 2.87Å; Y303-T307 HydrophobicContact CD1-CG2 4.23Å; Y303-T307 HydrophobicContact CG-CG2 4.4Å; Y303-T307 PolarHBondContact N-OG1 3.41Å; Y303-L311 HydrophobicContact CE1-CD1 4.39Å
304	D	90.4	Very high	91.2	Very high	71 Å²	71	44.8 Å²	44.8	38%	0.38	21%	0.211	S	C	.	.	S	Bend	trans	-82.8	-174.4	172.2	72.9	-28.5	0	0	0	111.9	K302 L306 T307 A308	K302-D304 HydrophobicContact CB-CB 4.35Å; K302-D304 PolarHBondContact O-N 3.11Å; D304-L306 VanDerWaalsContact C-N 3.28Å; D304-L306 PolarHBondContact O-N 2.94Å; D304-L306 PolarHBondContact OD1-N 3.42Å; D304-L306 WeakPolarHBondContact OD2-CB 3.49Å; D304-T307 PolarHBondContact O-N 3Å; D304-T307 VanDerWaalsContact OD1-CB 3.3Å; D304-T307 WeakPolarHBondContact OD1-CB 3.27Å; D304-T307 PolarHBondContact OD1-N 2.96Å; D304-T307 PolarHBondContact OD1-OG1 3.24Å; D304-A308 WeakPolarHBondContact O-CB 3.5Å; D304-A308 PolarHBondContact O-N 3.03Å
305	H	92.2	Very high	90.7	Very high	49 Å²	49	46 Å²	46	23%	0.227	22%	0.217	C	C	.	.	H	α-helix	trans	-63	-31.6	179.4	-167.3	-99.9	0	0	0	113.4	H36 T309	H36-H305 AromaticContact CD2-NE2 3.65Å; H36-H305 AromaticContact NE2-CE1 3.55Å; H36-H305 AromaticContact NE2-NE2 3.2Å; H36-H305 PolarHBondContact NE2-NE2 2.93Å; H36-H305 VanDerWaalsContact NE2-NE2 3.2Å; H305-T309 WeakPolarHBondContact O-CB 3.3Å; H305-T309 PolarHBondContact O-N 2.83Å; H305-T309 PolarHBondContact O-OG1 3.09Å
306	L	94	Very high	90.6	Very high	28 Å²	28	46.9 Å²	46.9	15%	0.147	22%	0.217	C	C	.	.	H	α-helix	trans	-65.5	-49.8	173.5	173.1	60.4	0	0	0	110.8	I283 I294 K297 L298 D304 A308 T309 Y310	I283-L306 HydrophobicContact CD1-CD1 4.45Å; I283-L306 HydrophobicContact CG2-CD1 3.62Å; I294-L306 HydrophobicContact CD1-CD1 4.31Å; I294-L306 HydrophobicContact CG2-CD1 4.18Å; K297-L306 HydrophobicContact CB-CD2 3.6Å; K297-L306 HydrophobicContact CD-CD2 4.06Å; K297-L306 HydrophobicContact CG-CD2 4.47Å; L298-L306 HydrophobicContact CD2-CD1 4.47Å; L298-L306 HydrophobicContact CD2-CG 3.95Å; L298-L306 HydrophobicContact CG-CG 4.41Å; D304-L306 VanDerWaalsContact C-N 3.28Å; D304-L306 PolarHBondContact O-N 2.94Å; D304-L306 PolarHBondContact OD1-N 3.42Å; D304-L306 WeakPolarHBondContact OD2-CB 3.49Å; L306-A308 VanDerWaalsContact C-N 3.31Å; L306-A308 PolarHBondContact O-N 2.97Å; L306-T309 PolarHBondContact O-N 3.42Å; L306-Y310 PolarHBondContact O-N 3.27Å
307	T	91.5	Very high	90.5	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.006	21%	0.209	C	C	.	.	H	α-helix	trans	-58	-44.6	176.4	-52.3	0	0	0	0	111	W301 Y303 D304 L311	W301-T307 HydrophobicContact CE3-CG2 3.71Å; W301-T307 HydrophobicContact CZ3-CG2 3.93Å; Y303-T307 HydrophobicContact CD1-CG2 4.23Å; Y303-T307 HydrophobicContact CG-CG2 4.4Å; Y303-T307 PolarHBondContact N-OG1 3.41Å; D304-T307 PolarHBondContact O-N 3Å; D304-T307 VanDerWaalsContact OD1-CB 3.3Å; D304-T307 WeakPolarHBondContact OD1-CB 3.27Å; D304-T307 PolarHBondContact OD1-N 2.96Å; D304-T307 PolarHBondContact OD1-OG1 3.24Å; T307-L311 HydrophobicContact CG2-CD1 3.91Å; T307-L311 WeakPolarHBondContact O-CB 3.22Å; T307-L311 VanDerWaalsContact O-CG 3.25Å; T307-L311 WeakPolarHBondContact O-CG 3.31Å; T307-L311 PolarHBondContact O-N 3.28Å
308	A	92	Very high	90.1	Very high	15 Å²	15	44.9 Å²	44.9	12%	0.124	22%	0.215	C	C	.	.	H	α-helix	trans	-63	-46.9	176.6	0	0	0	0	0	112.3	Y17 D304 L306 Y310 L311 I312	Y17-A308 WeakPolarHBondContact OH-CB 3.2Å; D304-A308 WeakPolarHBondContact O-CB 3.5Å; D304-A308 PolarHBondContact O-N 3.03Å; L306-A308 VanDerWaalsContact C-N 3.31Å; L306-A308 PolarHBondContact O-N 2.97Å; A308-Y310 PolarHBondContact O-N 3.36Å; A308-L311 PolarHBondContact O-N 3.09Å; A308-I312 WeakPolarHBondContact O-CB 3.41Å; A308-I312 VanDerWaalsContact O-CG1 3.25Å; A308-I312 WeakPolarHBondContact O-CG1 3.45Å; A308-I312 PolarHBondContact O-N 2.82Å
309	T	94.6	Very high	89.8	Confident	5 Å²	5	50.4 Å²	50.4	3%	0.031	24%	0.239	C	C	.	.	H	α-helix	trans	-58.1	-50.9	177.9	-60.5	0	0	0	0	111.1	H36 I283 H305 L306 L311 I312 L313 L325	H36-T309 PolarHBondContact CE1-OG1 3.27Å; H36-T309 PolarHBondContact NE2-OG1 2.84Å; I283-T309 HydrophobicContact CD1-CG2 4.02Å; I283-T309 HydrophobicContact CG1-CG2 4.07Å; H305-T309 WeakPolarHBondContact O-CB 3.3Å; H305-T309 PolarHBondContact O-N 2.83Å; H305-T309 PolarHBondContact O-OG1 3.09Å; L306-T309 PolarHBondContact O-N 3.42Å; T309-L311 PolarHBondContact O-N 2.9Å; T309-I312 PolarHBondContact O-N 3.15Å; T309-L313 WeakPolarHBondContact O-CG 3.4Å; T309-L313 PolarHBondContact O-N 2.95Å; T309-L325 HydrophobicContact CG2-CD1 4.18Å; T309-L325 HydrophobicContact CG2-CD2 4.33Å
310	Y	94.1	Very high	89.8	Confident	3 Å²	3	47.9 Å²	47.9	1%	0.012	25%	0.249	C	C	.	.	H	α-helix	trans	-58.2	-47.1	178	168.3	-101	0	0	0	112.4	I275 D276 C279 V280 L298 W301 L306 A308 I312 L313 L314	I275-Y310 WeakPolarHBondContact CA-OH 3.4Å; I275-Y310 HydrophobicContact CG2-CE2 4.03Å; D276-Y310 HydrophobicContact CB-CE2 4.26Å; D276-Y310 PolarHBondContact N-OH 3.36Å; C279-Y310 HydrophobicContact CB-CD2 3.93Å; C279-Y310 HydrophobicContact CB-CE2 3.89Å; V280-Y310 HydrophobicContact CG2-CD2 4.07Å; V280-Y310 HydrophobicContact CG2-CE2 4.05Å; L298-Y310 HydrophobicContact CD1-CD1 4.26Å; L298-Y310 HydrophobicContact CD1-CD2 3.78Å; L298-Y310 HydrophobicContact CD1-CE2 4.36Å; L298-Y310 HydrophobicContact CD1-CG 3.73Å; L298-Y310 HydrophobicContact CD2-CD1 4.15Å; L298-Y310 HydrophobicContact CD2-CG 3.99Å; W301-Y310 HydrophobicContact CH2-CD1 4.32Å; W301-Y310 AromaticContact CH2-CE1 3.98Å; W301-Y310 HydrophobicContact CH2-CE1 3.98Å; L306-Y310 PolarHBondContact O-N 3.27Å; A308-Y310 PolarHBondContact O-N 3.36Å; Y310-I312 VanDerWaalsContact C-N 3.32Å; Y310-I312 PolarHBondContact O-N 3.17Å; Y310-L313 PolarHBondContact O-N 2.91Å; Y310-L314 HydrophobicContact CE1-CD2 4.32Å; Y310-L314 WeakPolarHBondContact O-CB 3.35Å; Y310-L314 PolarHBondContact O-N 3.03Å
311	L	89.6	Confident	90	Very high	15 Å²	15	46.7 Å²	46.7	8%	0.079	25%	0.246	C	C	.	.	H	α-helix	trans	-65.5	-34.5	-179.6	-74.2	173.1	0	0	0	112.6	Y79 W301 Y303 T307 A308 T309 M315	Y79-L311 HydrophobicContact CD1-CB 4.4Å; Y79-L311 HydrophobicContact CE1-CB 3.55Å; Y79-L311 HydrophobicContact CE1-CD1 3.99Å; Y79-L311 HydrophobicContact CE1-CG 4.31Å; Y79-L311 PolarHBondContact OH-O 2.92Å; Y79-L311 VanDerWaalsContact OH-O 3.06Å; W301-L311 HydrophobicContact CH2-CD2 4.22Å; W301-L311 HydrophobicContact CZ3-CD1 4.18Å; W301-L311 HydrophobicContact CZ3-CD2 3.99Å; W301-L311 HydrophobicContact CZ3-CG 4.18Å; Y303-L311 HydrophobicContact CE1-CD1 4.39Å; T307-L311 HydrophobicContact CG2-CD1 3.91Å; T307-L311 WeakPolarHBondContact O-CB 3.22Å; T307-L311 VanDerWaalsContact O-CG 3.25Å; T307-L311 WeakPolarHBondContact O-CG 3.31Å; T307-L311 PolarHBondContact O-N 3.28Å; A308-L311 PolarHBondContact O-N 3.09Å; T309-L311 PolarHBondContact O-N 2.9Å; L311-M315 PolarHBondContact O-N 3.22Å; L311-M315 VanDerWaalsContact O-N 3.07Å
312	I	90.9	Very high	90.4	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-71.3	-40.9	174.7	-68.8	166.1	0	0	0	111	H36 T39 T41 V43 Y79 A308 T309 Y310 M315 R316	H36-I312 HydrophobicContact CB-CD1 3.84Å; T39-I312 HydrophobicContact CG2-CG2 4.08Å; T39-I312 WeakPolarHBondContact OG1-CG2 3.39Å; T41-I312 HydrophobicContact CG2-CG2 3.94Å; V43-I312 HydrophobicContact CG1-CD1 3.98Å; Y79-I312 HydrophobicContact CD2-CG1 3.87Å; Y79-I312 HydrophobicContact CE2-CG1 4.18Å; Y79-I312 HydrophobicContact CG-CG1 4.26Å; A308-I312 WeakPolarHBondContact O-CB 3.41Å; A308-I312 VanDerWaalsContact O-CG1 3.25Å; A308-I312 WeakPolarHBondContact O-CG1 3.45Å; A308-I312 PolarHBondContact O-N 2.82Å; T309-I312 PolarHBondContact O-N 3.15Å; Y310-I312 VanDerWaalsContact C-N 3.32Å; Y310-I312 PolarHBondContact O-N 3.17Å; I312-M315 WeakPolarHBondContact O-CB 3.48Å; I312-M315 PolarHBondContact O-N 2.81Å; I312-R316 WeakPolarHBondContact O-CG 3.48Å; I312-R316 PolarHBondContact O-N 2.92Å
313	L	93.8	Very high	90.8	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-62.1	-44	173.7	-70	-168.5	0	0	0	111.9	T39 C279 E282 I283 T309 Y310 M315 R316 K317 I323 L325	T39-L313 HydrophobicContact CG2-CD2 3.76Å; C279-L313 HydrophobicContact CB-CB 4.09Å; E282-L313 HydrophobicContact CB-CD1 4.4Å; E282-L313 HydrophobicContact CG-CD1 4.39Å; I283-L313 HydrophobicContact CD1-CD1 4.2Å; I283-L313 HydrophobicContact CG1-CD1 3.96Å; T309-L313 WeakPolarHBondContact O-CG 3.4Å; T309-L313 PolarHBondContact O-N 2.95Å; Y310-L313 PolarHBondContact O-N 2.91Å; L313-M315 VanDerWaalsContact C-N 3.29Å; L313-M315 PolarHBondContact O-N 3.14Å; L313-R316 WeakPolarHBondContact O-CB 3.44Å; L313-R316 PolarHBondContact O-N 2.78Å; L313-R316 VanDerWaalsContact O-N 3.11Å; L313-K317 PolarHBondContact O-N 3.5Å; L313-I323 HydrophobicContact CD2-CB 4.19Å; L313-I323 WeakPolarHBondContact CD2-O 3.42Å; L313-L325 HydrophobicContact CD1-CD1 4.22Å; L313-L325 HydrophobicContact CD1-CD2 4.27Å; L313-L325 HydrophobicContact CD1-CG 4.21Å; L313-L325 HydrophobicContact CD2-CD2 3.95Å; L313-L325 HydrophobicContact CG-CD2 4.45Å
314	L	90.2	Very high	91.2	Very high	46 Å²	46	47.4 Å²	47.4	24%	0.241	26%	0.261	C	S	.	.	H	α-helix	trans	-60.5	-38.9	175.8	-176.4	63	0	0	0	111.9	D276 Y310 S318	D276-L314 HydrophobicContact CB-CD1 3.86Å; Y310-L314 HydrophobicContact CE1-CD2 4.32Å; Y310-L314 WeakPolarHBondContact O-CB 3.35Å; Y310-L314 PolarHBondContact O-N 3.03Å; L314-S318 WeakPolarHBondContact O-CB 3.15Å; L314-S318 PolarHBondContact O-N 3.03Å; L314-S318 PolarHBondContact O-OG 3.31Å
315	M	86.3	Confident	91.4	Very high	28 Å²	28	44.9 Å²	44.9	14%	0.138	25%	0.248	C	C	.	.	H	α-helix	trans	-63.6	-45.6	172.4	-176.7	-173.7	69.7	0	0	111.7	T41 Y79 L311 I312 L313 S318 K319	T41-M315 HydrophobicContact CG2-CE 3.6Å; Y79-M315 HydrophobicContact CE2-CB 4.44Å; Y79-M315 HydrophobicContact CE2-CE 4.48Å; Y79-M315 HydrophobicContact CE2-SD 3.89Å; L311-M315 PolarHBondContact O-N 3.22Å; L311-M315 VanDerWaalsContact O-N 3.07Å; I312-M315 WeakPolarHBondContact O-CB 3.48Å; I312-M315 PolarHBondContact O-N 2.81Å; L313-M315 VanDerWaalsContact C-N 3.29Å; L313-M315 PolarHBondContact O-N 3.14Å; M315-S318 PolarHBondContact O-N 2.94Å; M315-S318 PolarHBondContact O-OG 2.85Å; M315-K319 PolarHBondContact O-N 2.75Å
316	R	90.8	Very high	91.4	Very high	47 Å²	47	45.5 Å²	45.5	18%	0.177	26%	0.256	C	S	.	.	H	α-helix	trans	-59.6	-49	177.4	-71.5	174.5	70.6	86.6	3.3	111.4	T39 T41 I312 L313 S318 K319 G320 L321 P322 I323	T39-R316 PolarHBondContact O-NH1 3.03Å; T41-R316 WeakPolarHBondContact OG1-CD 3.38Å; T41-R316 PolarHBondContact OG1-NH1 3.07Å; I312-R316 WeakPolarHBondContact O-CG 3.48Å; I312-R316 PolarHBondContact O-N 2.92Å; L313-R316 WeakPolarHBondContact O-CB 3.44Å; L313-R316 PolarHBondContact O-N 2.78Å; L313-R316 VanDerWaalsContact O-N 3.11Å; R316-S318 VanDerWaalsContact C-N 3.31Å; R316-S318 PolarHBondContact O-N 2.68Å; R316-K319 CarbonylContact O-C 3.49Å; R316-K319 WeakPolarHBondContact O-CA 3.31Å; R316-K319 PolarHBondContact O-N 2.93Å; R316-G320 PolarHBondContact O-N 3.19Å; R316-L321 CarbonylContact C-O 3.49Å; R316-L321 HydrophobicContact CB-CB 4.03Å; R316-L321 HydrophobicContact CG-CB 4.49Å; R316-L321 WeakPolarHBondContact O-CB 3.38Å; R316-L321 PolarHBondContact O-N 3.43Å; R316-P322 VanDerWaalsContact CZ-O 3.26Å; R316-P322 PolarHBondContact NE-O 3.4Å; R316-P322 PolarHBondContact NH2-O 3.14Å; R316-I323 HydrophobicContact CB-CG2 4.38Å
317	K	91.3	Very high	91	Very high	64 Å²	64	49.2 Å²	49.2	28%	0.278	28%	0.282	S	S	.	.	H	α-helix	trans	-54.2	-45.8	174.3	-173.9	172.7	176.4	171.1	0	111.9	D276 E278 L313 K319 G320 I323	D276-K317 IonicContact OD1-NZ 2.67Å; D276-K317 PolarHBondContact OD1-NZ 3.3Å; D276-K317 WeakPolarHBondContact OD2-CE 3.37Å; D276-K317 IonicContact OD2-NZ 2.95Å; D276-K317 PolarHBondContact OD2-NZ 2.95Å; E278-K317 IonicContact OE1-NZ 3.83Å; E278-K317 PolarHBondContact OE1-NZ 3.49Å; E278-K317 VanDerWaalsContact OE2-CE 3.26Å; E278-K317 WeakPolarHBondContact OE2-CE 3.25Å; E278-K317 IonicContact OE2-NZ 3.68Å; E278-K317 PolarHBondContact OE2-NZ 3.44Å; L313-K317 PolarHBondContact O-N 3.5Å; K317-K319 PolarHBondContact O-N 3.48Å; K317-K319 VanDerWaalsContact O-N 3.15Å; K317-G320 PolarHBondContact O-N 2.86Å; K317-I323 HydrophobicContact CB-CG2 3.85Å
318	S	85.1	Confident	90.7	Very high	89 Å²	89	53.1 Å²	53.1	62%	0.622	30%	0.299	S	S	*	.	H	α-helix	trans	-66.1	-13.2	177.8	74	0	0	0	0	115	L314 M315 R316	L314-S318 WeakPolarHBondContact O-CB 3.15Å; L314-S318 PolarHBondContact O-N 3.03Å; L314-S318 PolarHBondContact O-OG 3.31Å; M315-S318 PolarHBondContact O-N 2.94Å; M315-S318 PolarHBondContact O-OG 2.85Å; R316-S318 VanDerWaalsContact C-N 3.31Å; R316-S318 PolarHBondContact O-N 2.68Å
319	K	84.8	Confident	89.7	Confident	116 Å²	116	60.8 Å²	60.8	50%	0.504	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	9	172.4	-68.3	-162.5	170	-146.7	0	113.2	D136 M315 R316 K317 L321	D136-K319 IonicContact OD2-NZ 3.31Å; M315-K319 PolarHBondContact O-N 2.75Å; R316-K319 CarbonylContact O-C 3.49Å; R316-K319 WeakPolarHBondContact O-CA 3.31Å; R316-K319 PolarHBondContact O-N 2.93Å; K317-K319 PolarHBondContact O-N 3.48Å; K317-K319 VanDerWaalsContact O-N 3.15Å; K319-L321 HydrophobicContact CB-CD1 4.11Å; K319-L321 HydrophobicContact CB-CG 4.03Å; K319-L321 PolarHBondContact O-N 2.97Å
320	G	90.2	Very high	88.3	Confident	73 Å²	73	64.7 Å²	64.7	75%	0.753	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.5	11.9	-175	0	0	0	0	0	114.6	R316 K317	R316-G320 PolarHBondContact O-N 3.19Å; K317-G320 PolarHBondContact O-N 2.86Å
321	L	91.4	Very high	86.4	Confident	82 Å²	82	66.2 Å²	66.2	43%	0.429	39%	0.389	S	S	.	.			trans	-84.5	143.4	-177.8	-62.1	174.8	0	0	0	111.1	R316 K319 I323	R316-L321 CarbonylContact C-O 3.49Å; R316-L321 HydrophobicContact CB-CB 4.03Å; R316-L321 HydrophobicContact CG-CB 4.49Å; R316-L321 WeakPolarHBondContact O-CB 3.38Å; R316-L321 PolarHBondContact O-N 3.43Å; K319-L321 HydrophobicContact CB-CD1 4.11Å; K319-L321 HydrophobicContact CB-CG 4.03Å; K319-L321 PolarHBondContact O-N 2.97Å; L321-I323 PolarHBondContact O-N 3.44Å
322	P	92.5	Very high	84.3	Confident	80 Å²	80	70.7 Å²	70.7	52%	0.519	42%	0.419	S	S	.	.			trans	-55.1	133.1	178.6	-26.5	34.1	0	0	0	112.7	R316 F324	R316-P322 VanDerWaalsContact CZ-O 3.26Å; R316-P322 PolarHBondContact NE-O 3.4Å; R316-P322 PolarHBondContact NH2-O 3.14Å; P322-F324 HydrophobicContact CB-CD2 4.23Å
323	I	95	Very high	82.2	Confident	25 Å²	25	79.4 Å²	79.4	13%	0.128	46%	0.46	C	S	.	.			trans	-92.2	-4	-179.3	58.4	171.1	0	0	0	114.5	E278 L313 R316 K317 L321 L325	E278-I323 HydrophobicContact CB-CD1 3.97Å; L313-I323 HydrophobicContact CD2-CB 4.19Å; L313-I323 WeakPolarHBondContact CD2-O 3.42Å; R316-I323 HydrophobicContact CB-CG2 4.38Å; K317-I323 HydrophobicContact CB-CG2 3.85Å; L321-I323 PolarHBondContact O-N 3.44Å; I323-L325 PolarHBondContact O-N 3.2Å
324	F	94	Very high	79.7	Confident	158 Å²	158	89.9 Å²	89.9	69%	0.693	50%	0.499	S	S	*	.	P	Polyproline II helix	trans	-55.3	136.8	-176.8	-63.3	-66.5	0	0	0	113.2	E282 P322	E282-F324 WeakPolarHBondContact OE1-CA 3.46Å; P322-F324 HydrophobicContact CB-CD2 4.23Å
325	L	94.5	Very high	77.2	Confident	18 Å²	18	96 Å²	96	9%	0.094	53%	0.531	C	S	.	.	P	Polyproline II helix	trans	-100.9	150.4	171.3	-61.7	178.7	0	0	0	109.6	L38 T39 E282 I283 R286 T309 L313 I323	L38-L325 HydrophobicContact CB-CD2 4.25Å; L38-L325 WeakPolarHBondContact O-CD2 3.41Å; T39-L325 HydrophobicContact CG2-CD2 3.65Å; E282-L325 HydrophobicContact CG-CB 4.29Å; E282-L325 HydrophobicContact CG-CD1 4.22Å; E282-L325 HydrophobicContact CG-CG 3.88Å; E282-L325 PolarHBondContact OE1-N 3.29Å; I283-L325 HydrophobicContact CG1-CD1 3.97Å; R286-L325 HydrophobicContact CB-CD1 4.32Å; T309-L325 HydrophobicContact CG2-CD1 4.18Å; T309-L325 HydrophobicContact CG2-CD2 4.33Å; L313-L325 HydrophobicContact CD1-CD1 4.22Å; L313-L325 HydrophobicContact CD1-CD2 4.27Å; L313-L325 HydrophobicContact CD1-CG 4.21Å; L313-L325 HydrophobicContact CD2-CD2 3.95Å; L313-L325 HydrophobicContact CG-CD2 4.45Å; I323-L325 PolarHBondContact O-N 3.2Å
326	P	92.6	Very high	74.7	Confident	63 Å²	63	100.3 Å²	100.3	41%	0.409	56%	0.564	S	S	.	*	P	Polyproline II helix	trans	-64.1	157.2	169.7	28.1	-33.5	0	0	0	110.6	L38 R286	L38-P326 WeakPolarHBondContact O-CD 3.45Å; R286-P326 PolarHBondContact NH1-O 3.09Å
327	P	85.3	Confident	71.9	Confident	105 Å²	105	101 Å²	101	68%	0.682	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-62.1	161.1	170	27.8	-34.7	0	0	0	111.5	R286	R286-P327 PolarHBondContact NH1-O 3.2Å
328	K	84.6	Confident	68.8	Low	84 Å²	84	108.1 Å²	108.1	37%	0.365	62%	0.616	S	S	.	*	P	Polyproline II helix	trans	-84.6	122.7	178.2	-165.9	168.3	179.3	175.5	0	109	R286 E287 F288 G330 S331	R286-K328 HydrophobicContact CG-CB 4.49Å; E287-K328 IonicContact OE2-NZ 2.71Å; E287-K328 PolarHBondContact OE2-NZ 2.94Å; F288-K328 HydrophobicContact CE2-CB 4.48Å; K328-G330 PolarHBondContact O-N 2.83Å; K328-S331 PolarHBondContact O-N 3.27Å; K328-S331 VanDerWaalsContact O-N 3.13Å; K328-S331 PolarHBondContact O-OG 3.37Å
329	L	72.6	Confident	66.2	Low	176 Å²	176	112 Å²	112	92%	0.921	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.9	134.8	178.6	-81.4	83.8	0	0	0	109.9
330	G	65.6	Low	63.4	Low	86 Å²	86	111 Å²	111	89%	0.887	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	86.1	-4.2	-177.3	0	0	0	0	0	115.8	K328	K328-G330 PolarHBondContact O-N 2.83Å
331	S	53.7	Low	60.5	Low	35 Å²	35	116.1 Å²	116.1	25%	0.245	64%	0.641	C	S	.	*	S	Bend	trans	-74.8	143.8	170.1	66.1	0	0	0	0	111.5	F288 K328 Q333	F288-S331 VanDerWaalsContact CZ-CB 3.43Å; K328-S331 PolarHBondContact O-N 3.27Å; K328-S331 VanDerWaalsContact O-N 3.13Å; K328-S331 PolarHBondContact O-OG 3.37Å; S331-Q333 PolarHBondContact O-N 3.27Å
332	P	44.4	Very low	57.6	Low	109 Å²	109	123.2 Å²	123.2	71%	0.708	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-57.5	137.7	171.9	25.9	-34.2	0	0	0	110.2
333	Q	46.8	Very low	54.6	Low	183 Å²	183	127.5 Å²	127.5	86%	0.855	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-57.9	145.2	175.2	-68.7	-178.1	-8.4	0	0	109.8	S331 L335	S331-Q333 PolarHBondContact O-N 3.27Å; Q333-L335 PolarHBondContact O-N 3.04Å
334	R	42.8	Very low	51.2	Low	221 Å²	221	134.9 Å²	134.9	83%	0.834	71%	0.709	S	S	*	*			trans	-55.8	115	170.7	-78	-173	176.9	-177	1.7	108.3	S336	R334-S336 PolarHBondContact O-N 3.49Å; R334-S336 VanDerWaalsContact O-N 3.07Å
335	L	36.1	Very low	48.2	Very low	174 Å²	174	135.1 Å²	135.1	91%	0.911	72%	0.716	S	S	*	*			trans	-52.5	117	171	-81.3	162	0	0	0	108.6	Q333 G337	Q333-L335 PolarHBondContact O-N 3.04Å; L335-G337 PolarHBondContact O-N 3.37Å
336	S	34.1	Very low	45.1	Very low	118 Å²	118	141.2 Å²	141.2	83%	0.825	75%	0.747	S	S	*	*			trans	-75.6	72.3	-178.1	54.2	0	0	0	0	110.4	R334 K338	R334-S336 PolarHBondContact O-N 3.49Å; R334-S336 VanDerWaalsContact O-N 3.07Å; S336-K338 PolarHBondContact O-N 3.2Å
337	G	31.4	Very low	41.8	Very low	61 Å²	61	143.9 Å²	143.9	63%	0.629	77%	0.767	S	S	*	*			trans	-54.9	130.1	169.5	0	0	0	0	0	110	L335 L339	L335-G337 PolarHBondContact O-N 3.37Å; G337-L339 PolarHBondContact O-N 3.23Å
338	K	27.1	Very low	39	Very low	214 Å²	214	143.8 Å²	143.8	93%	0.93	77%	0.769	S	S	*	*			trans	-64.8	91.7	-173.2	-68	178.5	177.7	178	0	111.8	S336 S340	S336-K338 PolarHBondContact O-N 3.2Å; K338-S340 PolarHBondContact O-N 2.83Å
339	L	30	Very low	36.4	Very low	172 Å²	172	145.4 Å²	145.4	90%	0.901	79%	0.788	S	S	*	*			trans	-88.9	89.5	159.9	-86.3	166.6	0	0	0	109.1	G337	G337-L339 PolarHBondContact O-N 3.23Å
340	S	27	Very low	34.2	Very low	93 Å²	93	143.1 Å²	143.1	65%	0.65	78%	0.781	S	S	*	*			trans	-64.7	148.1	163.5	-170	0	0	0	0	109.7	K338	K338-S340 PolarHBondContact O-N 2.83Å
341	H	27.8	Very low	32.3	Very low	182 Å²	182	146.1 Å²	146.1	84%	0.843	78%	0.775	S	S	*	*			trans	62.3	74.7	172.5	-70.8	58	0	0	0	117
342	R	31	Very low	30.9	Very low	230 Å²	230	152.9 Å²	152.9	87%	0.868	80%	0.803	S	S	*	*	S	Bend		-143.4	146	127.2	-144.3	170	-176.4	170.8	2.2	111.4
343	Q	29.6	Very low	29.9	Very low	170 Å²	170	151.3 Å²	151.3	79%	0.794	80%	0.799	S	S	*	*			trans	-43.2	145.5	-161.5	-72.1	138.2	-56.4	0	0	117.4	I345	Q343-I345 PolarHBondContact O-N 2.98Å
344	Q	25	Very low	28.8	Very low	181 Å²	181	147.5 Å²	147.5	85%	0.846	79%	0.793	S	S	*	*			trans	-60.1	127.8	170.1	-63.6	159.4	-58.2	0	0	110.9
345	I	29.3	Very low	27.8	Very low	163 Å²	163	143.6 Å²	143.6	84%	0.836	79%	0.787	S	S	*	*			trans	-122.5	116.9	148.5	-63.8	-178.7	0	0	0	105.6	Q343 S347	Q343-I345 PolarHBondContact O-N 2.98Å; I345-S347 PolarHBondContact O-N 3.5Å
346	I	29.6	Very low	27.4	Very low	146 Å²	146	142.9 Å²	142.9	75%	0.749	78%	0.779	S	S	*	*			trans	-77.9	116.7	-177.8	-62.7	170.6	0	0	0	108.2
347	S	23.5	Very low	27.1	Very low	119 Å²	119	145.3 Å²	145.3	83%	0.832	78%	0.783	S	S	*	*			trans	-95.3	113	161.4	57.1	0	0	0	0	109.3	I345	I345-S347 PolarHBondContact O-N 3.5Å
348	S	26.1	Very low	26.9	Very low	103 Å²	103	148.5 Å²	148.5	72%	0.72	79%	0.785	S	S	*	*			trans	-130.4	137.4	163.8	-163.1	0	0	0	0	108.8
349	P	31.3	Very low	26.9	Very low	118 Å²	118	144.1 Å²	144.1	77%	0.766	78%	0.779	S	S	*	*			trans	-104.7	133.8	-163.4	36.7	-31.4	0	0	0	114.2
350	T	25.8	Very low	26.7	Very low	127 Å²	127	143.6 Å²	143.6	78%	0.779	78%	0.778	S	S	*	*			trans	-153.3	144.9	166	12.5	0	0	0	0	114.6
351	I	26.3	Very low	26.6	Very low	149 Å²	149	148.6 Å²	148.6	76%	0.764	79%	0.791	S	S	*	*			trans	67.8	96.7	145.2	-65.3	163.4	0	0	0	118.7
352	H	23.5	Very low	26.8	Very low	178 Å²	178	145.2 Å²	145.2	82%	0.824	79%	0.787	S	S	*	*				50.6	125.8	110.4	-105	-111.7	0	0	0	121.9
353	A	22.8	Very low	26.8	Very low	76 Å²	76	142.2 Å²	142.2	63%	0.628	79%	0.789	S	S	*	*				83.5	115.5	127.1	0	0	0	0	0	121.9
354	S	23.5	Very low	26.9	Very low	102 Å²	102	142.1 Å²	142.1	71%	0.713	79%	0.794	S	S	*	*				71	117.8	117.5	-62.2	0	0	0	0	122.9
355	L	23.7	Very low	27.3	Very low	139 Å²	139	141 Å²	141	73%	0.728	79%	0.793	S	S	*	*			trans	71.8	145.7	138.7	-80.7	93.3	0	0	0	120.9
356	E	26.9	Very low	27.5	Very low	159 Å²	159	137.4 Å²	137.4	74%	0.743	79%	0.788	S	S	*	*			trans	63.1	88.8	147.5	-71.4	170.4	-173.4	0	0	119.6	I358	E356-I358 PolarHBondContact O-N 3.24Å
357	N	27.1	Very low	27.6	Very low	170 Å²	170	136 Å²	136	91%	0.909	79%	0.791	S	S	*	*			trans	-61	96.8	147.5	-70.6	26.7	0	0	0	110.2
358	I	26.8	Very low	28	Very low	128 Å²	128	134.4 Å²	134.4	66%	0.656	79%	0.785	S	S	*	*			trans	-142.4	109.3	145	-54.2	-178.2	0	0	0	107.4	E356	E356-I358 PolarHBondContact O-N 3.24Å
359	C	27.2	Very low	28.3	Very low	121 Å²	121	135 Å²	135	82%	0.818	79%	0.785	S	S	*	*			trans	-150.5	126.2	159.5	-83.5	0	0	0	0	106.4
360	D	26	Very low	28.3	Very low	161 Å²	161	137.8 Å²	137.8	86%	0.861	79%	0.789	S	S	*	*			trans	171.6	81.7	149.9	-89.6	-13.9	0	0	0	106.6
361	E	26.5	Very low	28.5	Very low	199 Å²	199	138.7 Å²	138.7	93%	0.93	79%	0.79	S	S	*	*			trans	175.9	113.2	159.8	-106	169.6	-148.8	0	0	108.1
362	S	31.6	Very low	28.8	Very low	110 Å²	110	135 Å²	135	77%	0.769	78%	0.781	S	S	*	*			trans	-162.9	87.5	168.2	61.9	0	0	0	0	110.4
363	D	30	Very low	29.2	Very low	167 Å²	167	132.1 Å²	132.1	89%	0.893	78%	0.776	S	S	*	*			trans	-78.1	134.4	155.2	-65	-49.2	0	0	0	108.2
364	D	32.7	Very low	29.8	Very low	169 Å²	169	135.3 Å²	135.3	90%	0.904	78%	0.781	S	S	*	*			trans	-141.6	131.7	167.2	-100.8	-41.7	0	0	0	107
365	D	32.4	Very low	30.3	Very low	157 Å²	157	139 Å²	139	84%	0.84	79%	0.787	S	S	*	*			trans	-134.6	139.9	-166.9	-167.8	11.8	0	0	0	112.9
366	A	34.8	Very low	30.7	Very low	87 Å²	87	137.5 Å²	137.5	72%	0.719	79%	0.789	S	S	*	*			trans	58.1	151.8	171.1	0	0	0	0	0	119.5
367	S	31.1	Very low	31	Very low	116 Å²	116	135 Å²	135	81%	0.811	79%	0.788	S	S	*	*			cis	-175.1	161.9	-22.6	63.6	0	0	0	0	108.1
368	A	31.4	Very low	31.4	Very low	87 Å²	87	135.1 Å²	135.1	72%	0.719	78%	0.784	S	S	*	*			cis	-133.5	-116.4	-11	0	0	0	0	0	108.9
369	V	32	Very low	31.7	Very low	116 Å²	116	135.7 Å²	135.7	70%	0.703	79%	0.787	S	S	*	*			cis	-155.1	141.3	-0.5	-141.9	0	0	0	0	109.1
370	M	31.5	Very low	32	Very low	175 Å²	175	135.1 Å²	135.1	86%	0.862	78%	0.779	S	S	*	*			trans	65.5	147.5	167.8	-51	-179.8	-170.6	0	0	116.3
371	D	30.7	Very low	32.2	Very low	147 Å²	147	132.8 Å²	132.8	79%	0.786	77%	0.766	S	S	*	*			cis	-149.4	168.5	2.2	-149.3	-10.8	0	0	0	112.5
372	A	32.1	Very low	32.5	Very low	71 Å²	71	131.1 Å²	131.1	59%	0.587	76%	0.756	S	S	*	*			trans	29.9	141.4	148.7	0	0	0	0	0	122.2
373	T	32.7	Very low	32.5	Very low	117 Å²	117	133.6 Å²	133.6	72%	0.718	75%	0.753	S	S	*	*			cis	-174.9	161.9	2.9	15.1	0	0	0	0	110.9
374	I	34.7	Very low	32.6	Very low	144 Å²	144	132.3 Å²	132.3	74%	0.738	75%	0.745	S	S	*	*			trans	70.2	140.2	147.3	-72.1	163.8	0	0	0	116.9
375	E	33.8	Very low	32.6	Very low	178 Å²	178	131 Å²	131	83%	0.832	74%	0.737	S	S	*	*			cis	-139.8	-172.8	7.1	-146.6	152.9	-134.7	0	0	113.3
376	S	32.5	Very low	32.3	Very low	109 Å²	109	129.9 Å²	129.9	76%	0.762	73%	0.732	S	S	*	*			trans	-141.7	143.6	-160.3	62	0	0	0	0	117.5
377	S	34.6	Very low	32	Very low	106 Å²	106	132.9 Å²	132.9	74%	0.741	74%	0.736	S	S	*	*			trans	-159.9	120.4	151.6	50	0	0	0	0	109.2
378	Q	35.4	Very low	32	Very low	173 Å²	173	133.3 Å²	133.3	81%	0.808	73%	0.733	S	S	*	*				64.4	138.8	81.9	-67.9	-171	7.8	0	0	113.5
379	I	32.8	Very low	31.8	Very low	140 Å²	140	140.1 Å²	140.1	72%	0.718	74%	0.742	S	S	*	*			cis	-168.8	155.9	5.9	-112.6	168.1	0	0	0	106.7
380	V	32.9	Very low	31.5	Very low	109 Å²	109	142.9 Å²	142.9	66%	0.661	75%	0.749	S	S	*	*			cis	-169.6	152	-19.4	72	0	0	0	0	109.9
381	D	30.5	Very low	31.3	Very low	111 Å²	111	140 Å²	140	59%	0.594	74%	0.742	S	S	*	*			trans	59.7	155.9	161.3	-79.8	-2.6	0	0	0	120
382	K	33.5	Very low	31	Very low	165 Å²	165	138.3 Å²	138.3	72%	0.717	74%	0.74	S	S	*	*			cis	-157.8	124.3	22.7	-134.9	149.2	-166.6	117.1	0	114.9
383	K	31.5	Very low	30.6	Very low	162 Å²	162	140.1 Å²	140.1	70%	0.704	75%	0.749	S	S	*	*				49.8	124.7	129.9	-70.7	-170	167.2	-167.1	0	123.8
384	I	30.5	Very low	30.4	Very low	139 Å²	139	138.7 Å²	138.7	71%	0.713	75%	0.749	S	S	*	*				67.5	137.6	118.1	-63.2	171.3	0	0	0	117.4
385	N	32.5	Very low	30	Very low	141 Å²	141	139.4 Å²	139.4	75%	0.754	75%	0.754	S	S	*	*			cis	-148.6	165.5	25.2	-149.5	12.6	0	0	0	113.8
386	D	26.6	Very low	29.9	Very low	135 Å²	135	139 Å²	139	72%	0.722	76%	0.758	S	S	*	*			trans	-79.9	149.2	157.7	-67.8	-67.6	0	0	0	112
387	N	29.9	Very low	29.7	Very low	149 Å²	149	138.5 Å²	138.5	80%	0.797	75%	0.754	S	S	*	*				175.9	156.3	117.3	-106	-53.5	0	0	0	116.6
388	T	30.9	Very low	29.4	Very low	125 Å²	125	143.1 Å²	143.1	77%	0.767	76%	0.757	S	S	*	*			trans	76.5	114.2	159.7	-25.6	0	0	0	0	119.3
389	Y	26.1	Very low	29.3	Very low	231 Å²	231	144.3 Å²	144.3	91%	0.906	76%	0.762	S	S	*	*			trans	-98.5	132.3	155.3	-89.2	-97.3	0	0	0	110.2
390	M	25.6	Very low	29.4	Very low	173 Å²	173	142.5 Å²	142.5	85%	0.852	76%	0.758	S	S	*	*			trans	-170.5	159.6	141.1	-104.2	-120.1	174.7	0	0	114.2
391	T	26.9	Very low	29.2	Very low	116 Å²	116	141.1 Å²	141.1	71%	0.712	76%	0.758	S	S	*	*			trans	69.7	115.6	161.3	46.6	0	0	0	0	121.8
392	C	25.2	Very low	29.3	Very low	110 Å²	110	143.2 Å²	143.2	74%	0.743	77%	0.767	S	S	*	*				83.8	93.6	127.2	-65.6	0	0	0	0	122.3
393	S	24.1	Very low	29.2	Very low	110 Å²	110	143.8 Å²	143.8	77%	0.769	77%	0.773	S	S	*	*				63.3	143.1	112.9	66.5	0	0	0	0	123.4
394	A	27.7	Very low	29.3	Very low	86 Å²	86	140.5 Å²	140.5	71%	0.711	78%	0.775	S	S	*	*			trans	103.5	124.9	151.7	0	0	0	0	0	117.7
395	D	26.4	Very low	29.2	Very low	159 Å²	159	137.2 Å²	137.2	85%	0.85	78%	0.776	S	S	*	*			trans	41.2	115.5	145.4	-52.2	-19.9	0	0	0	120.4
396	D	31.4	Very low	29.1	Very low	170 Å²	170	137.4 Å²	137.4	91%	0.909	78%	0.776	S	S	*	*			trans	-128.8	105.1	162.1	-141.5	-19.4	0	0	0	110
397	S	28	Very low	29.3	Very low	99 Å²	99	139 Å²	139	69%	0.692	78%	0.779	S	S	*	*			trans	-154.2	105.5	167.2	70.1	0	0	0	0	110.9
398	Y	30.1	Very low	29.2	Very low	202 Å²	202	139.7 Å²	139.7	79%	0.792	78%	0.778	S	S	*	*			trans	-167.3	129.9	145.4	-99	-61	0	0	0	110.9	T400	Y398-T400 WeakPolarHBondContact CD1-OG1 3.49Å
399	H	32.5	Very low	29.2	Very low	199 Å²	199	139 Å²	139	92%	0.921	77%	0.774	S	S	*	*			trans	-143.5	78.5	146.2	-120.1	-58.2	0	0	0	110.6
400	T	34.3	Very low	29.3	Very low	102 Å²	102	136.7 Å²	136.7	63%	0.626	77%	0.773	S	S	*	*			trans	-56.7	162.8	163.2	-49.9	0	0	0	0	111.3	Y398	Y398-T400 WeakPolarHBondContact CD1-OG1 3.49Å
401	A	29.4	Very low	29.4	Very low	80 Å²	80	132.9 Å²	132.9	66%	0.661	77%	0.77	S	S	*	*			cis	-175.2	161.4	-43.8	0	0	0	0	0	107.7
402	I	32.5	Very low	29.5	Very low	155 Å²	155	131.5 Å²	131.5	80%	0.795	77%	0.77	S	S	*	*			trans	-145.8	101.5	157.3	-61.8	-173.2	0	0	0	104.3
403	E	31.9	Very low	29.8	Very low	177 Å²	177	134.5 Å²	134.5	83%	0.827	78%	0.779	S	S	*	*				63.9	138.1	92.8	-67.9	-169.7	148.7	0	0	115.4
404	A	32.1	Very low	29.9	Very low	92 Å²	92	132.7 Å²	132.7	76%	0.76	78%	0.777	S	S	*	*			cis	-165.9	141.2	-17.4	0	0	0	0	0	111.4
405	G	29.6	Very low	30	Very low	71 Å²	71	134.2 Å²	134.2	73%	0.732	78%	0.781	S	S	*	*			trans	58.3	171	156	0	0	0	0	0	121
406	L	31	Very low	30.2	Very low	145 Å²	145	132.5 Å²	132.5	76%	0.759	77%	0.772	S	S	*	*			cis	-163.7	151.1	-17.6	-107	165.2	0	0	0	108
407	E	29.5	Very low	30.1	Very low	167 Å²	167	130.9 Å²	130.9	78%	0.78	76%	0.763	S	S	*	*			trans	36.1	153.8	146.3	-73.7	164.8	-167.7	0	0	123
408	E	28.4	Very low	30	Very low	164 Å²	164	135.4 Å²	135.4	77%	0.766	77%	0.771	S	S	*	*			cis	-168.6	179.8	-23.9	-154.5	-170	-151.7	0	0	108.7
409	T	30.1	Very low	30	Very low	111 Å²	111	132.9 Å²	132.9	68%	0.681	78%	0.776	S	S	*	*			trans	81.7	115.6	159.9	69.2	0	0	0	0	122.8
410	M	27.8	Very low	29.7	Very low	182 Å²	182	127.2 Å²	127.2	90%	0.897	76%	0.764	S	S	*	*				65.8	127.1	125.1	-65.6	-159.8	167.5	0	0	125.9
411	A	29.4	Very low	29.3	Very low	94 Å²	94	131.2 Å²	131.2	78%	0.777	78%	0.775	S	S	*	*				76.5	97.1	128.5	0	0	0	0	0	122.7
412	A	28.2	Very low	29.2	Very low	87 Å²	87	138.9 Å²	138.9	72%	0.719	79%	0.787	S	S	*	*			trans	17	127.1	134.5	0	0	0	0	0	121.8
413	N	31.4	Very low	29.1	Very low	173 Å²	173	139.9 Å²	139.9	93%	0.925	79%	0.788	S	S	*	*				-179.1	157.8	110.9	-95.2	-41	0	0	0	113.7
414	G	26.1	Very low	28.9	Very low	72 Å²	72	139.6 Å²	139.6	74%	0.742	79%	0.787	S	S	*	*			trans	106.5	117.5	140.8	0	0	0	0	0	120.7
415	C	29.3	Very low	28.7	Very low	118 Å²	118	141.7 Å²	141.7	80%	0.797	79%	0.786	S	S	*	*			trans	57.4	111.9	142.4	-74.1	0	0	0	0	123.9
416	D	31	Very low	28.8	Very low	123 Å²	123	145.8 Å²	145.8	66%	0.658	79%	0.789	S	S	*	*				74	102.6	118.7	-70	-61.5	0	0	0	123.7
417	N	29.2	Very low	28.8	Very low	135 Å²	135	146.6 Å²	146.6	72%	0.722	79%	0.794	S	S	*	*				52.2	127.5	106.8	-76.1	-55.1	0	0	0	121.2
418	K	26.8	Very low	28.6	Very low	195 Å²	195	143 Å²	143	85%	0.848	79%	0.793	S	S	*	*			trans	71.7	95.6	159.3	-58	172.9	-177.4	173.8	0	117.9
419	V	29.2	Very low	28.5	Very low	148 Å²	148	143.9 Å²	143.9	90%	0.897	80%	0.797	S	S	*	*				-129	131.6	117.9	174.9	0	0	0	0	107.8
420	A	26.5	Very low	28.4	Very low	81 Å²	81	145 Å²	145	67%	0.669	80%	0.803	S	S	*	*			trans	-101.6	175.3	169.9	0	0	0	0	0	109.7
421	E	26.4	Very low	28.2	Very low	185 Å²	185	143 Å²	143	86%	0.864	80%	0.796	S	S	*	*			trans	62.9	85	173.2	-54.1	-167.2	129.7	0	0	116.6
422	R	27.6	Very low	28.2	Very low	242 Å²	242	144 Å²	144	91%	0.913	79%	0.793	S	S	*	*			trans	-171	86.6	138.5	-103.7	160	-167.3	-155.6	4.3	111
423	Q	29.2	Very low	28	Very low	176 Å²	176	148.7 Å²	148.7	82%	0.822	80%	0.797	S	S	*	*			trans	-167.3	95.4	133.3	-154.7	63.4	18.1	0	0	110.6
424	Q	29	Very low	27.7	Very low	171 Å²	171	145.1 Å²	145.1	80%	0.799	79%	0.791	S	S	*	*			trans	-116.9	153.6	158.2	-81.8	-168.8	-6.1	0	0	108.7
425	N	27.9	Very low	27.7	Very low	136 Å²	136	147.3 Å²	147.3	73%	0.727	79%	0.79	S	S	*	*			trans	59.2	96	170.4	-56.9	-25.4	0	0	0	116.5
426	I	30.8	Very low	27.4	Very low	157 Å²	157	149.8 Å²	149.8	81%	0.805	80%	0.795	S	S	*	*	S	Bend		-160	98.2	112.9	-90.5	147.5	0	0	0	108
427	N	30.3	Very low	27.1	Very low	162 Å²	162	150.8 Å²	150.8	87%	0.866	80%	0.798	S	S	*	*			trans	166.5	128.5	132.3	-89.7	-31.9	0	0	0	109.2
428	A	26.3	Very low	27	Very low	91 Å²	91	149.9 Å²	149.9	75%	0.752	80%	0.8	S	S	*	*			trans	-116.5	172	-172.6	0	0	0	0	0	111.7
429	Q	25.3	Very low	27	Very low	183 Å²	183	149.6 Å²	149.6	86%	0.855	79%	0.794	S	S	*	*			trans	59.9	81.2	160.4	-60	-178.4	-2.9	0	0	117.8
430	V	28.5	Very low	26.9	Very low	134 Å²	134	148 Å²	148	81%	0.812	79%	0.786	S	S	*	*			trans	-125.2	107.3	131	-179.8	0	0	0	0	108	T432	V430-T432 HydrophobicContact CG1-CG2 4.15Å
431	N	24.1	Very low	26.9	Very low	140 Å²	140	149.4 Å²	149.4	75%	0.749	79%	0.788	S	S	*	*			trans	-106.8	88.6	-175.3	-177.3	4.2	0	0	0	110.6
432	T	29.2	Very low	27	Very low	115 Å²	115	145.1 Å²	145.1	71%	0.706	78%	0.776	S	S	*	*			trans	-110.5	95.4	176.3	52	0	0	0	0	111.2	V430 A434	V430-T432 HydrophobicContact CG1-CG2 4.15Å; T432-A434 PolarHBondContact O-N 3.21Å
433	K	23.7	Very low	26.9	Very low	186 Å²	186	138.2 Å²	138.2	81%	0.809	76%	0.762	S	S	*	*			trans	-65	96.7	169.3	-72.3	-177.4	176.9	179	0	110.5	V435	K433-V435 PolarHBondContact O-N 2.86Å
434	A	26.4	Very low	26.8	Very low	97 Å²	97	135.3 Å²	135.3	80%	0.802	75%	0.75	S	S	*	*			trans	-75.6	100.2	170	0	0	0	0	0	110.1	T432 L436	T432-A434 PolarHBondContact O-N 3.21Å; A434-L436 PolarHBondContact O-N 3.16Å
435	V	25	Very low	26.7	Very low	119 Å²	119	135.7 Å²	135.7	72%	0.721	75%	0.746	S	S	*	*			trans	-74.8	117.6	175.3	179.6	0	0	0	0	109.6	K433 I437	K433-V435 PolarHBondContact O-N 2.86Å; V435-I437 HydrophobicContact CG1-CG1 4.18Å; V435-I437 PolarHBondContact O-N 3.45Å
436	L	23.8	Very low	26.7	Very low	170 Å²	170	133.8 Å²	133.8	89%	0.89	74%	0.742	S	S	*	*			trans	-75	112.3	173.4	-75.7	164.4	0	0	0	110.1	A434	A434-L436 PolarHBondContact O-N 3.16Å
437	I	25.1	Very low	26.7	Very low	143 Å²	143	131.7 Å²	131.7	73%	0.733	74%	0.737	S	S	*	*			trans	-108.4	127.3	170.1	-56.6	179.6	0	0	0	108.1	V435	V435-I437 HydrophobicContact CG1-CG1 4.18Å; V435-I437 PolarHBondContact O-N 3.45Å
438	P	25.3	Very low	26.6	Very low	117 Å²	117	130 Å²	130	76%	0.76	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-70.7	144.4	179.8	29.4	-34.7	0	0	0	111.7
439	R	28.5	Very low	26.8	Very low	189 Å²	189	132.7 Å²	132.7	71%	0.713	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-80.9	135.9	172.7	-64.9	-175.8	-179.8	-163.7	-2.6	110.6	H69	H69-R439 PolarHBondContact CD2-NH1 3.41Å; H69-R439 VanDerWaalsContact CD2-NH1 3.28Å; H69-R439 PolarHBondContact NE2-NH1 2.93Å
440	P	27.1	Very low	26.9	Very low	114 Å²	114	127 Å²	127	74%	0.74	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-71.6	156.1	166.3	31.8	-34.5	0	0	0	111.1
441	P	26.1	Very low	27	Very low	110 Å²	110	129.9 Å²	129.9	71%	0.714	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-72.9	154	174	31.5	-35.2	0	0	0	111.9	T443	P441-T443 PolarHBondContact O-N 2.94Å
442	P	28.4	Very low	27.3	Very low	95 Å²	95	130.9 Å²	130.9	62%	0.617	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-73.6	117.9	-179.1	28.8	-34.1	0	0	0	112.4
443	T	25	Very low	27.1	Very low	98 Å²	98	130 Å²	130	60%	0.601	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-78.7	119.8	176.1	-51.9	0	0	0	0	111.5	P441 Y445	P441-T443 PolarHBondContact O-N 2.94Å; T443-Y445 HydrophobicContact CG2-CD2 4.09Å; T443-Y445 HydrophobicContact CG2-CE2 3.48Å; T443-Y445 VanDerWaalsContact CG2-CE2 3.48Å
444	I	27.3	Very low	27.4	Very low	114 Å²	114	127 Å²	127	59%	0.585	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-85.1	122.9	175.5	-61.3	157.9	0	0	0	109.5	Y61	Y61-I444 HydrophobicContact CD1-CD1 3.99Å; Y61-I444 HydrophobicContact CE1-CD1 3.56Å
445	Y	27	Very low	27.2	Very low	179 Å²	179	130.4 Å²	130.4	70%	0.702	73%	0.725	S	S	*	*			trans	-105.1	150.5	169.6	-69.7	-88.2	0	0	0	111.1	T443	T443-Y445 HydrophobicContact CG2-CD2 4.09Å; T443-Y445 HydrophobicContact CG2-CE2 3.48Å; T443-Y445 VanDerWaalsContact CG2-CE2 3.48Å
446	C	27.1	Very low	27.2	Very low	96 Å²	96	134.8 Å²	134.8	65%	0.649	74%	0.735	S	S	*	*			trans	-137.3	163.5	170.9	-83.7	0	0	0	0	109.5
447	T	31.3	Very low	27.1	Very low	113 Å²	113	132.9 Å²	132.9	69%	0.693	73%	0.725	S	S	*	*			trans	-71.1	157.3	-169.7	46.1	0	0	0	0	114	D449	T447-D449 VanDerWaalsContact C-N 3.31Å; T447-D449 PolarHBondContact O-N 2.93Å
448	P	28.8	Very low	27	Very low	128 Å²	128	137.3 Å²	137.3	83%	0.831	73%	0.733	S	S	*	*	S	Bend	trans	-85.1	40	-161.6	35.9	-38.4	0	0	0	116.1	G450	P448-G450 PolarHBondContact O-N 3.34Å
449	D	30.5	Very low	26.8	Very low	146 Å²	146	137.7 Å²	137.7	78%	0.781	73%	0.733	S	S	*	*			trans	-98	68.2	177.2	-59.5	-68.2	0	0	0	110.9	T447	T447-D449 VanDerWaalsContact C-N 3.31Å; T447-D449 PolarHBondContact O-N 2.93Å
450	G	27.8	Very low	26.7	Very low	64 Å²	64	132 Å²	132	66%	0.66	73%	0.727	S	S	*	*			trans	-74.2	139.4	-156.8	0	0	0	0	0	118.2	P448	P448-G450 PolarHBondContact O-N 3.34Å
451	K	30.5	Very low	26.5	Very low	194 Å²	194	133 Å²	133	84%	0.843	73%	0.734	S	S	*	*			trans	-159.3	95.3	143.2	-98.1	139.4	-172.9	175.8	0	107.8
452	I	29	Very low	26.5	Very low	162 Å²	162	135.9 Å²	135.9	83%	0.831	74%	0.738	S	S	*	*				71.5	125.7	94.7	-70	165.6	0	0	0	110.8
453	S	26.1	Very low	26.3	Very low	95 Å²	95	137.6 Å²	137.6	66%	0.664	74%	0.741	S	S	*	*			cis	-158.7	165.4	-3.8	-156.7	0	0	0	0	106.4
454	T	29.7	Very low	26.4	Very low	124 Å²	124	141.4 Å²	141.4	76%	0.761	75%	0.751	S	S	*	*			cis	-154.4	156.9	43.3	44	0	0	0	0	115
455	F	22.7	Very low	26.2	Very low	169 Å²	169	140 Å²	140	74%	0.741	75%	0.752	S	S	*	*			trans	-9.7	143.3	153.3	-79	-104	0	0	0	120
456	F	25.1	Very low	26.3	Very low	211 Å²	211	141 Å²	141	93%	0.925	76%	0.763	S	S	*	*				-147.9	147.8	102.5	-114.3	-76.5	0	0	0	112.4
457	L	21.1	Very low	26.3	Very low	129 Å²	129	139.8 Å²	139.8	68%	0.675	77%	0.767	S	S	*	*			trans	-106.5	134.4	177.5	-158.8	87.5	0	0	0	108.8
458	W	23.7	Very low	26.2	Very low	237 Å²	237	139.8 Å²	139.8	90%	0.898	77%	0.772	S	S	*	*			trans	-148	110.3	156.3	-142.4	52.6	0	0	0	112.8	A460	W458-A460 HydrophobicContact CD2-CB 4.41Å; W458-A460 HydrophobicContact CE3-CB 3.96Å; W458-A460 HydrophobicContact CH2-CB 4.28Å; W458-A460 HydrophobicContact CZ3-CB 3.9Å
459	T	21.2	Very low	26.1	Very low	124 Å²	124	142 Å²	142	76%	0.761	78%	0.775	S	S	*	*			trans	-98.8	115.7	173.9	-41.5	0	0	0	0	107.9
460	A	25.8	Very low	26.1	Very low	71 Å²	71	139 Å²	139	59%	0.587	78%	0.78	S	S	*	*			trans	-146.9	77.8	176.8	0	0	0	0	0	110.5	W458	W458-A460 HydrophobicContact CD2-CB 4.41Å; W458-A460 HydrophobicContact CE3-CB 3.96Å; W458-A460 HydrophobicContact CH2-CB 4.28Å; W458-A460 HydrophobicContact CZ3-CB 3.9Å
461	C	23.5	Very low	26	Very low	133 Å²	133	139.1 Å²	139.1	90%	0.899	78%	0.781	S	S	*	*			trans	-90.3	143.8	159.7	-159.8	0	0	0	0	108.3
462	Q	24.4	Very low	25.9	Very low	171 Å²	171	141.4 Å²	141.4	80%	0.799	79%	0.786	S	S	*	*			trans	-118	153.7	-168.7	-169	-174.7	19.6	0	0	110
463	I	25	Very low	25.7	Very low	131 Å²	131	140 Å²	140	67%	0.672	79%	0.785	S	S	*	*			trans	143.1	130.6	137.6	-75	162.8	0	0	0	114
464	H	26.1	Very low	25.7	Very low	178 Å²	178	145 Å²	145	82%	0.824	80%	0.795	S	S	*	*			trans	62.3	147.9	162.1	-70.2	-31.9	0	0	0	120.3
465	S	23.6	Very low	25.5	Very low	86 Å²	86	146.5 Å²	146.5	60%	0.601	79%	0.794	S	S	*	*			cis	-165.8	163.1	-11.6	50.5	0	0	0	0	112.2
466	Q	29.1	Very low	25.7	Very low	198 Å²	198	150 Å²	150	93%	0.925	80%	0.802	S	S	*	*			trans	71.4	144.3	174.4	-46.3	-177.2	17	0	0	114.7
467	G	28.1	Very low	25.6	Very low	72 Å²	72	149.1 Å²	149.1	74%	0.742	80%	0.798	S	S	*	*			cis	179.5	170.4	-8.2	0	0	0	0	0	112.8
468	S	27.6	Very low	25.9	Very low	112 Å²	112	149.9 Å²	149.9	78%	0.783	81%	0.808	S	S	*	*			trans	67.4	114.7	166.6	-157.4	0	0	0	0	121.3
469	L	28.4	Very low	26.1	Very low	174 Å²	174	146.4 Å²	146.4	91%	0.911	80%	0.802	S	S	*	*			trans	23.5	126.5	137.1	-68.5	148.7	0	0	0	121.2
470	G	29.2	Very low	26.1	Very low	85 Å²	85	147.5 Å²	147.5	88%	0.876	81%	0.808	S	S	*	*			trans	164.1	113.8	160.7	0	0	0	0	0	110.8
471	G	27.3	Very low	26.1	Very low	66 Å²	66	152.2 Å²	152.2	68%	0.68	82%	0.815	S	S	*	*			trans	-117.6	156	-176	0	0	0	0	0	113.3
472	Y	27.9	Very low	26.1	Very low	241 Å²	241	155 Å²	155	95%	0.945	82%	0.817	S	S	*	*			trans	-160.8	149.3	143.6	-100.3	-66.7	0	0	0	109.9
473	T	24.6	Very low	26.2	Very low	134 Å²	134	150.5 Å²	150.5	82%	0.822	82%	0.816	S	S	*	*			trans	-100.3	139.2	-175.2	45.8	0	0	0	0	112.3
474	F	26.8	Very low	26.1	Very low	199 Å²	199	153.4 Å²	153.4	87%	0.873	83%	0.825	S	S	*	*			trans	-143.3	142	151.4	-157.9	-99.1	0	0	0	111.4
475	Q	23.7	Very low	26	Very low	156 Å²	156	151.1 Å²	151.1	73%	0.729	82%	0.818	S	S	*	*			trans	-91.7	139.5	-178.1	-63.1	-178.6	-1.2	0	0	111.5
476	R	27.5	Very low	26	Very low	241 Å²	241	155.6 Å²	155.6	91%	0.909	83%	0.826	S	S	*	*			trans	-147.5	137.9	140.4	-114.5	173.3	-170	-161.8	1.8	111.3
477	K	23	Very low	25.8	Very low	194 Å²	194	153.4 Å²	153.4	84%	0.843	82%	0.819	S	S	*	*			trans	-83	137.1	-176.5	-60.8	170.7	-178.7	172.9	0	110.2
478	T	27.6	Very low	25.6	Very low	145 Å²	145	156.2 Å²	156.2	89%	0.89	82%	0.822	S	S	*	*			trans	-133.3	134.8	156.6	18.2	0	0	0	0	108.9
479	Q	26.9	Very low	25.5	Very low	164 Å²	164	162.2 Å²	162.2	77%	0.766	83%	0.827	S	S	*	*			trans	-82.2	131.2	-175.2	-69.1	-178.6	-16.5	0	0	111.1
480	V	23.1	Very low	25.5	Very low	146 Å²	146	158.7 Å²	158.7	89%	0.885	82%	0.823	S	S	*	*			trans	-82.5	121.1	153.6	178.9	0	0	0	0	107.5
481	K	25.5	Very low	25.3	Very low	171 Å²	171	162.7 Å²	162.7	74%	0.743	82%	0.824	S	S	*	*			trans	-126.5	116.2	169	-99.1	-174.3	173.7	178.8	0	109.9
482	M	22.8	Very low	25.3	Very low	192 Å²	192	168.8 Å²	168.8	95%	0.946	84%	0.835	S	S	*	*			trans	-68.1	139.7	159.1	-69.6	-126.3	-71.2	0	0	109.2
483	G	25.9	Very low	25.5	Very low	75 Å²	75	169.3 Å²	169.3	77%	0.773	84%	0.835	S	S	*	*			trans	-159.2	119.1	-179.4	0	0	0	0	0	111.4
484	F	23.5	Very low	25.9	Very low	193 Å²	193	172.3 Å²	172.3	85%	0.846	84%	0.84	S	S	*	*			trans	-81.7	135.7	-175.6	-117.5	-120.2	0	0	0	112.2
485	L	23.1	Very low	26.1	Very low	130 Å²	130	167.6 Å²	167.6	68%	0.681	84%	0.837	S	S	*	*				50.4	107.9	129.6	-169.6	99.3	0	0	0	119
486	K	24.4	Very low	26.5	Very low	179 Å²	179	167.4 Å²	167.4	78%	0.778	85%	0.846	S	S	*	*				173.9	161.2	121.5	-101	168.9	-171.1	174	0	116.7
487	I	26	Very low	26.8	Very low	152 Å²	152	160 Å²	160	78%	0.779	84%	0.837	S	S	*	*			trans	79	106.8	153.4	-69.1	152.7	0	0	0	119.2
488	V	22.9	Very low	27.4	Very low	132 Å²	132	156.7 Å²	156.7	80%	0.8	83%	0.833	S	S	*	*			trans	-54.8	130.6	155.9	173.1	0	0	0	0	112.5
489	R	25.6	Very low	27.6	Very low	238 Å²	238	159.4 Å²	159.4	90%	0.898	84%	0.835	S	S	*	*			trans	178.2	107.5	139.6	-102.9	167.1	-178.5	177.6	0.1	111.5
490	A	28.8	Very low	27.9	Very low	100 Å²	100	155.3 Å²	155.3	83%	0.826	84%	0.837	S	S	*	*			trans	-160.4	49.8	172.2	0	0	0	0	0	112.8
491	L	24.3	Very low	28.7	Very low	169 Å²	169	154.9 Å²	154.9	89%	0.885	84%	0.835	S	S	*	*			trans	-140.7	149.4	160.3	-78.6	178	0	0	0	106.9
492	E	27.6	Very low	29.4	Very low	194 Å²	194	152.5 Å²	152.5	91%	0.907	84%	0.837	S	S	*	*			trans	81.5	89	-166.4	-57.9	173.3	-179.4	0	0	115.1
493	R	32.7	Very low	29.9	Very low	251 Å²	251	148.6 Å²	148.6	95%	0.947	83%	0.829	S	S	*	*			trans	-165.6	83.7	150.6	-106	-171.8	-159	-167.7	5.3	110.4
494	E	32.4	Very low	30.2	Very low	198 Å²	198	156.3 Å²	156.3	93%	0.925	84%	0.835	S	S	*	*			trans	-157.6	90.8	158.5	-145.1	168.1	-123.2	0	0	110.6
495	A	31.8	Very low	30.7	Very low	100 Å²	100	153.5 Å²	153.5	83%	0.826	83%	0.833	S	S	*	*			trans	175.6	113.3	162.9	0	0	0	0	0	107.4
496	V	32.1	Very low	31.5	Very low	151 Å²	151	152.6 Å²	152.6	92%	0.915	84%	0.835	S	S	*	*			trans	-132.3	121.4	178	173.9	0	0	0	0	109.2
497	A	32.3	Very low	31.9	Very low	86 Å²	86	156.3 Å²	156.3	71%	0.711	84%	0.844	S	S	*	*			trans	-161.9	124.1	159	0	0	0	0	0	111.7
498	T	36.2	Very low	32.2	Very low	125 Å²	125	154.2 Å²	154.2	77%	0.767	84%	0.844	S	S	*	*			trans	44.7	98.4	144.7	59	0	0	0	0	121
499	E	32	Very low	32.7	Very low	201 Å²	201	154.5 Å²	154.5	94%	0.939	85%	0.845	S	S	*	*				40.7	137.4	117.9	-58.5	-175.6	164.7	0	0	122.6
500	G	33.3	Very low	33	Very low	78 Å²	78	152.9 Å²	152.9	80%	0.804	85%	0.845	S	S	*	*			trans	156.2	110.3	165.9	0	0	0	0	0	114.3
501	T	40	Very low	32.9	Very low	137 Å²	137	159.9 Å²	159.9	84%	0.84	85%	0.85	S	S	*	*			trans	-138.1	174.7	-179.1	56.8	0	0	0	0	110.9
502	P	39.7	Very low	33.3	Very low	121 Å²	121	158.4 Å²	158.4	79%	0.786	85%	0.848	S	S	*	*				-133	164.7	-52	37.3	-23.5	0	0	0	113
503	S	32.6	Very low	33.4	Very low	110 Å²	110	155 Å²	155	77%	0.769	84%	0.843	S	S	*	*			trans	-159.2	129.7	162.4	-174	0	0	0	0	115.9
504	R	33.7	Very low	33.1	Very low	238 Å²	238	152.9 Å²	152.9	90%	0.898	84%	0.84	S	S	*	*			trans	61.5	138.1	152.9	-74.3	177.8	166	172.8	-4.1	122.4
505	T	33.3	Very low	33	Very low	133 Å²	133	150 Å²	150	82%	0.816	84%	0.836	S	S	*	*			trans	-136.9	-170.6	174.3	58	0	0	0	0	107.2
506	P	39	Very low	32.8	Very low	112 Å²	112	149.8 Å²	149.8	73%	0.727	84%	0.835	S	S	*	*			cis	-125.9	176	-43.3	30.2	-13.1	0	0	0	112.4
507	R	33.6	Very low	32.4	Very low	256 Å²	256	153.8 Å²	153.8	97%	0.966	83%	0.834	S	S	*	*			trans	-144.3	147.9	140.8	-112.5	179.3	-174.2	-175.4	2.1	110.1
508	S	32.1	Very low	32.2	Very low	109 Å²	109	161.2 Å²	161.2	76%	0.762	84%	0.843	S	S	*	*			trans	-129.2	141.9	-169.5	58.5	0	0	0	0	112.5
509	V	34.7	Very low	31.5	Very low	137 Å²	137	161 Å²	161	83%	0.83	84%	0.841	S	S	*	*			trans	-137.1	113.2	157	-177.1	0	0	0	0	109.2
510	K	30.8	Very low	31.1	Very low	205 Å²	205	160.8 Å²	160.8	89%	0.891	84%	0.838	S	S	*	*			trans	27.5	105.9	156.2	-58.8	179.9	-178.7	178.4	0	118.2
511	R	26.5	Very low	30.7	Very low	246 Å²	246	162.8 Å²	162.8	93%	0.928	84%	0.838	S	S	*	*			trans	-129.2	120.7	152.9	-112.9	-178	170	169.2	-0.9	109.6
512	T	32.9	Very low	29.9	Very low	138 Å²	138	161.6 Å²	161.6	85%	0.847	84%	0.835	S	S	*	*			trans	-74.6	158.1	172.6	23.4	0	0	0	0	111.7
513	P	29.5	Very low	29.2	Very low	123 Å²	123	162.8 Å²	162.8	80%	0.799	84%	0.84	S	S	*	*			trans	-80.4	152	-156.7	30.2	-36.2	0	0	0	115.1	T515	P513-T515 PolarHBondContact O-N 3.31Å
514	K	25.8	Very low	28.8	Very low	207 Å²	207	163.4 Å²	163.4	90%	0.9	83%	0.831	S	S	*	*			trans	-75.5	115.9	173.8	-61	169.7	-176.6	169.7	0	110.2
515	T	30.7	Very low	28.4	Very low	136 Å²	136	164 Å²	164	83%	0.834	83%	0.833	S	S	*	*			trans	-73.5	159.4	163.4	43.5	0	0	0	0	111.2	P513 R517	P513-T515 PolarHBondContact O-N 3.31Å; T515-R517 PolarHBondContact O-N 3.32Å
516	A	27.4	Very low	28.1	Very low	97 Å²	97	167.6 Å²	167.6	80%	0.802	84%	0.837	S	S	*	*			trans	-70.2	121.2	-159.7	0	0	0	0	0	114.6	R518	A516-R518 PolarHBondContact O-N 2.9Å
517	R	25.2	Very low	27.4	Very low	235 Å²	235	168.7 Å²	168.7	89%	0.887	84%	0.836	S	S	*	*			trans	-68.9	84.5	175.8	-169.9	-174.4	-164.9	-176.6	5.4	111.4	T515 V519	T515-R517 PolarHBondContact O-N 3.32Å; R517-V519 PolarHBondContact O-N 3.48Å
518	R	26.6	Very low	27.1	Very low	241 Å²	241	164 Å²	164	91%	0.909	83%	0.831	S	S	*	*			trans	-64.7	119.5	168.3	-80.4	-173.9	171.2	-179.1	-1.8	109.5	A516 F520	A516-R518 PolarHBondContact O-N 2.9Å; R518-F520 PolarHBondContact O-N 2.86Å
519	V	22.8	Very low	26.9	Very low	121 Å²	121	170.5 Å²	170.5	73%	0.733	84%	0.838	S	S	*	*			trans	-85.5	98.5	-175	-179.3	0	0	0	0	110.5	R517	R517-V519 PolarHBondContact O-N 3.48Å
520	F	23.4	Very low	26.4	Very low	196 Å²	196	171.9 Å²	171.9	86%	0.86	84%	0.838	S	S	*	*			trans	-132.2	167.9	156.8	-94.6	-94.4	0	0	0	108.5	R518	R518-F520 PolarHBondContact O-N 2.86Å
521	C	24.1	Very low	26.2	Very low	121 Å²	121	169.7 Å²	169.7	82%	0.818	83%	0.834	S	S	*	*			trans	67	75.9	-174.8	-55.4	0	0	0	0	115.9
522	S	23.4	Very low	26.2	Very low	111 Å²	111	167 Å²	167	78%	0.776	83%	0.832	S	S	*	*			trans	-148.7	30.3	166.8	-165.6	0	0	0	0	116.2
523	V	25.1	Very low	25.9	Very low	146 Å²	146	167.6 Å²	167.6	89%	0.885	83%	0.829	S	S	*	*	S	Bend	trans	-137.7	29.5	173.9	-151.4	0	0	0	0	114.3
524	E	24.7	Very low	25.6	Very low	123 Å²	123	169.9 Å²	169.9	58%	0.575	83%	0.833	S	S	*	*			trans	-117.1	4.4	-178.9	-66.3	-169.9	133.5	0	0	115	R600	E524-R600 IonicContact OE1-CZ 3.23Å; E524-R600 VanDerWaalsContact OE1-CZ 3.24Å; E524-R600 IonicContact OE1-NH1 2.72Å; E524-R600 PolarHBondContact OE1-NH1 3.2Å; E524-R600 IonicContact OE1-NH2 3.15Å; E524-R600 PolarHBondContact OE1-NH2 2.76Å; E524-R600 IonicContact OE2-CZ 3.61Å; E524-R600 IonicContact OE2-NH1 2.59Å; E524-R600 PolarHBondContact OE2-NH1 3.3Å
525	R	25.7	Very low	25.6	Very low	251 Å²	251	165.9 Å²	165.9	95%	0.947	83%	0.826	S	S	*	*	S	Bend	trans	-92.5	11.7	-172.1	-65.7	-170.5	-179.5	-177.5	0.4	116.8
526	K	26	Very low	25.4	Very low	209 Å²	209	165.2 Å²	165.2	91%	0.909	83%	0.825	S	S	*	*	S	Bend	trans	-137.8	10.7	-173.9	-83.4	-164.3	174.4	-174.3	0	117.7
527	L	25.2	Very low	25.2	Very low	134 Å²	134	170.6 Å²	170.6	70%	0.702	83%	0.83	S	S	*	*	S	Bend	trans	-119.3	8.7	-178	-138.8	79.3	0	0	0	116.3
528	D	26.5	Very low	25.3	Very low	159 Å²	159	170 Å²	170	85%	0.85	83%	0.828	S	S	*	*	S	Bend	trans	-108.8	30.7	-166.9	-141.9	7	0	0	0	114.2
529	R	27.5	Very low	25.3	Very low	245 Å²	245	168.5 Å²	168.5	93%	0.925	83%	0.828	S	S	*	*	S	Bend	trans	-133.9	9.2	-178.7	-62.1	-165.6	-164.4	-164.5	6	116.2
530	M	24	Very low	25.6	Very low	165 Å²	165	171.4 Å²	171.4	81%	0.813	83%	0.83	S	S	*	*			trans	-119	23.3	-174.2	-74.1	-175.9	70	0	0	115.5
531	I	26.8	Very low	25.8	Very low	159 Å²	159	169.8 Å²	169.8	82%	0.815	83%	0.83	S	S	*	*	S	Bend	trans	-112.7	65.1	172.5	-49.8	-179.8	0	0	0	110
532	H	27.6	Very low	25.9	Very low	191 Å²	191	168.4 Å²	168.4	88%	0.884	83%	0.827	S	S	*	*	S	Bend	trans	-150.7	-0.9	171.7	-108.3	-67.8	0	0	0	115.7
533	L	25.5	Very low	26.1	Very low	149 Å²	149	169 Å²	169	78%	0.78	83%	0.831	S	S	*	*	S	Bend	trans	-104.2	-18.1	-166.2	-88.7	161.2	0	0	0	116.5
534	L	24.4	Very low	26.5	Very low	171 Å²	171	167.9 Å²	167.9	90%	0.895	83%	0.825	S	S	*	*	S	Bend	trans	-128.3	71.5	-175.5	-68.7	175.3	0	0	0	112.4
535	T	25.5	Very low	27.2	Very low	123 Å²	123	170.9 Å²	170.9	76%	0.755	84%	0.838	S	S	*	*	S	Bend	trans	-147.9	119.1	161.9	-55.7	0	0	0	0	108.1	K537	T535-K537 PolarHBondContact O-N 2.8Å; T535-K537 VanDerWaalsContact O-N 3.16Å
536	P	25.4	Very low	28.5	Very low	123 Å²	123	162.9 Å²	162.9	80%	0.799	82%	0.817	S	S	*	*			trans	-59	121.1	178.9	-24.6	34.1	0	0	0	110.9	R538	P536-R538 VanDerWaalsContact C-N 3.26Å; P536-R538 PolarHBondContact O-N 3.46Å
537	K	24.5	Very low	30.2	Very low	209 Å²	209	162.5 Å²	162.5	91%	0.909	82%	0.816	S	S	*	*			trans	-69.4	83.2	173.3	-73.6	-176.4	179.8	176.3	0	109.5	T535 K539	T535-K537 PolarHBondContact O-N 2.8Å; T535-K537 VanDerWaalsContact O-N 3.16Å; K537-K539 PolarHBondContact O-N 2.75Å
538	R	27.6	Very low	32.3	Very low	223 Å²	223	157.7 Å²	157.7	84%	0.842	79%	0.79	S	S	*	*			trans	-58.4	105.4	165.9	-110	-177.4	169.9	174.2	-3.2	108.2	P536 K540	P536-R538 VanDerWaalsContact C-N 3.26Å; P536-R538 PolarHBondContact O-N 3.46Å; R538-K540 PolarHBondContact O-N 2.98Å; R538-K540 VanDerWaalsContact O-N 3.16Å
539	K	26	Very low	34.5	Very low	210 Å²	210	151.9 Å²	151.9	91%	0.913	77%	0.765	S	S	*	*			trans	-55	117.8	159.5	-70.3	-178	178	-179.5	0	106.7	K537	K537-K539 PolarHBondContact O-N 2.75Å
540	K	29.4	Very low	36.2	Very low	181 Å²	181	147.3 Å²	147.3	79%	0.787	75%	0.752	S	S	*	*			trans	-131	142.8	161.3	-90.2	-153.9	167.5	-161	0	107.8	R538	R538-K540 PolarHBondContact O-N 2.98Å; R538-K540 VanDerWaalsContact O-N 3.16Å
541	L	26.9	Very low	37.8	Very low	162 Å²	162	142.7 Å²	142.7	85%	0.848	73%	0.726	S	S	*	*			trans	-57.6	145.4	-173.3	-83	59.1	0	0	0	111.4
542	A	25.9	Very low	38.8	Very low	93 Å²	93	142.6 Å²	142.6	77%	0.769	72%	0.719	S	S	*	*	S	Bend	trans	-70.2	162.1	153.6	0	0	0	0	0	109.3
543	S	28	Very low	39.8	Very low	122 Å²	122	137 Å²	137	85%	0.853	71%	0.706	S	S	*	*			trans	64.7	75.1	-178.1	-158.4	0	0	0	0	115.8
544	V	34	Very low	41	Very low	124 Å²	124	132 Å²	132	75%	0.752	68%	0.684	S	S	*	*			trans	-141.2	131.5	137.6	-175.2	0	0	0	0	106.5	T546	V544-T546 PolarHBondContact O-N 3.03Å
545	H	39	Very low	42.3	Very low	185 Å²	185	127.6 Å²	127.6	86%	0.856	66%	0.664	S	S	*	*			trans	-64.4	102.8	165.1	-83	-67.6	0	0	0	108.5	K547	H545-K547 PolarHBondContact O-N 2.91Å; H545-K547 VanDerWaalsContact O-N 3.13Å
546	T	52.1	Low	44.3	Very low	83 Å²	83	124.2 Å²	124.2	51%	0.509	64%	0.641	S	S	.	*	P	Polyproline II helix	trans	-58.1	118.1	174.6	46	0	0	0	0	108.9	V544 L548 W588	V544-T546 PolarHBondContact O-N 3.03Å; T546-L548 PolarHBondContact O-N 3.03Å; T546-W588 PolarHBondContact O-NE1 3.37Å
547	K	61.4	Low	46.6	Very low	202 Å²	202	119.1 Å²	119.1	88%	0.878	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-52.6	142	174	-77.7	-172.9	174	-177.3	0	109.9	H545	H545-K547 PolarHBondContact O-N 2.91Å; H545-K547 VanDerWaalsContact O-N 3.13Å
548	L	70.1	Confident	49.2	Very low	32 Å²	32	110.1 Å²	110.1	17%	0.168	57%	0.571	C	S	.	*	P	Polyproline II helix	trans	-60.1	137.8	173.9	-168.3	63.3	0	0	0	109.1	T546 K550 P565 W588 V609 R611	T546-L548 PolarHBondContact O-N 3.03Å; L548-K550 PolarHBondContact O-N 2.71Å; L548-P565 HydrophobicContact CD1-CB 4.3Å; L548-P565 HydrophobicContact CD2-CB 3.86Å; L548-P565 HydrophobicContact CD2-CG 3.57Å; L548-W588 HydrophobicContact CD1-CB 4.08Å; L548-W588 HydrophobicContact CD1-CD2 3.51Å; L548-W588 HydrophobicContact CD1-CE3 3.96Å; L548-W588 HydrophobicContact CD1-CG 3.53Å; L548-V609 HydrophobicContact CD1-CB 4.32Å; L548-V609 HydrophobicContact CD1-CG1 4.19Å; L548-V609 WeakPolarHBondContact CD1-O 3.47Å; L548-R611 HydrophobicContact CD2-CB 3.94Å; L548-R611 HydrophobicContact CG-CB 4.35Å
549	A	73.2	Confident	51.4	Low	38 Å²	38	102.9 Å²	102.9	31%	0.314	55%	0.551	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-69.5	121.4	-177.7	0	0	0	0	0	110.1	V610 R611	A549-V610 HydrophobicContact CB-CG1 4.27Å; A549-V610 WeakPolarHBondContact O-CA 3.49Å; A549-V610 WeakPolarHBondContact O-CB 3.42Å; A549-R611 PolarHBondContact O-N 2.89Å
550	K	63.9	Low	53.8	Low	149 Å²	149	92.9 Å²	92.9	65%	0.648	51%	0.508	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.5	141.6	166.5	-81.9	-175.2	160.5	-93.4	0	109.5	L548 D613	L548-K550 PolarHBondContact O-N 2.71Å; K550-D613 WeakPolarHBondContact CB-OD2 3.46Å; K550-D613 VanDerWaalsContact CD-OD1 3.24Å; K550-D613 WeakPolarHBondContact CD-OD1 3.32Å; K550-D613 WeakPolarHBondContact CE-OD1 3.48Å; K550-D613 WeakPolarHBondContact CG-OD1 3.3Å; K550-D613 IonicContact NZ-OD1 2.76Å; K550-D613 PolarHBondContact NZ-OD1 3.01Å
551	Y	56.5	Low	55.7	Low	67 Å²	67	88.3 Å²	88.3	26%	0.263	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	123.8	-172.7	-145.4	-113.3	0	0	0	111.4	V557 R611 I612 D613 R621	Y551-V557 HydrophobicContact CD1-CG2 3.88Å; Y551-V557 HydrophobicContact CE1-CG2 3.96Å; Y551-R611 PolarHBondContact N-O 3.27Å; Y551-I612 WeakPolarHBondContact O-CA 3.44Å; Y551-D613 PolarHBondContact N-OD2 2.6Å; Y551-D613 PolarHBondContact O-N 3.11Å; Y551-R621 VanDerWaalsContact CZ-CD 3.49Å; Y551-R621 VanDerWaalsContact CZ-NH1 3.33Å; Y551-R621 WeakPolarHBondContact OH-CD 3.42Å; Y551-R621 PolarHBondContact OH-NH1 2.94Å
552	K	49	Very low	57.3	Low	158 Å²	158	88.9 Å²	88.9	69%	0.687	50%	0.495	S	S	*	.			trans	-64.1	138.8	166.6	-69.4	-171.5	175.6	-175.2	0	109.1	S554	K552-S554 PolarHBondContact O-N 3.37Å
553	A	47.1	Very low	59.3	Low	72 Å²	72	87.8 Å²	87.8	60%	0.595	47%	0.473	S	S	*	.			trans	-53.5	129.4	-172.7	0	0	0	0	0	111.9	I612	A553-I612 HydrophobicContact CB-CG2 3.96Å
554	S	50.3	Low	62	Low	46 Å²	46	85 Å²	85	32%	0.322	45%	0.453	S	S	.	.			trans	-146.3	134.1	-168.9	168.5	0	0	0	0	109.3	K552 N556 V557	K552-S554 PolarHBondContact O-N 3.37Å; S554-N556 PolarHBondContact O-N 2.89Å; S554-V557 WeakPolarHBondContact O-CB 3.42Å; S554-V557 WeakPolarHBondContact O-CG2 3.23Å; S554-V557 PolarHBondContact O-N 2.99Å
555	T	52	Low	64.6	Low	78 Å²	78	80.6 Å²	80.6	48%	0.479	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	8	-166	-157.4	0	0	0	0	115.2	K93	K93-T555 VanDerWaalsContact CG-CB 3.5Å; K93-T555 HydrophobicContact CG-CG2 4.46Å; K93-T555 PolarHBondContact O-OG1 3.16Å
556	N	67.3	Low	67.1	Low	52 Å²	52	74.9 Å²	74.9	28%	0.278	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.6	1.2	171.6	-67.9	43.3	0	0	0	112.5	K93 S554 R622	K93-N556 VanDerWaalsContact CG-OD1 3.32Å; K93-N556 WeakPolarHBondContact CG-OD1 3.47Å; S554-N556 PolarHBondContact O-N 2.89Å; N556-R622 PolarHBondContact O-N 3.44Å; N556-R622 VanDerWaalsContact O-N 3.08Å
557	V	74.9	Confident	68.9	Low	16 Å²	16	74 Å²	74	10%	0.097	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	119.2	177.6	-173.5	0	0	0	0	109	Y551 S554 V610 I612 V620 R621	Y551-V557 HydrophobicContact CD1-CG2 3.88Å; Y551-V557 HydrophobicContact CE1-CG2 3.96Å; S554-V557 WeakPolarHBondContact O-CB 3.42Å; S554-V557 WeakPolarHBondContact O-CG2 3.23Å; S554-V557 PolarHBondContact O-N 2.99Å; V557-V610 HydrophobicContact CG1-CG2 3.83Å; V557-V610 HydrophobicContact CG2-CG2 4.47Å; V557-I612 HydrophobicContact CG1-CD1 3.79Å; V557-I612 HydrophobicContact CG1-CG1 4.24Å; V557-V620 WeakPolarHBondContact CA-O 3.47Å; V557-R621 HydrophobicContact CG2-CB 4Å; V557-R621 HydrophobicContact CG2-CG 4.18Å
558	S	78.1	Confident	70.3	Confident	20 Å²	20	64.3 Å²	64.3	14%	0.14	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	127	166.4	-59.5	0	0	0	0	108.8	G619 V620 R622 L640	S558-G619 CarbonylContact O-C 3.52Å; S558-G619 WeakPolarHBondContact O-CA 3.44Å; S558-V620 PolarHBondContact N-O 2.84Å; S558-V620 PolarHBondContact O-N 3.44Å; S558-R622 PolarHBondContact OG-NH2 2.91Å; S558-L640 WeakPolarHBondContact OG-CD1 3.5Å
559	V	75.4	Confident	71.3	Confident	70 Å²	70	62.8 Å²	62.8	42%	0.424	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	126.9	-179.8	-175.2	0	0	0	0	109	I612 I615 M617	V559-I612 HydrophobicContact CB-CD1 4.36Å; V559-I612 HydrophobicContact CG1-CD1 4.28Å; V559-I612 HydrophobicContact CG2-CD1 3.78Å; V559-I615 HydrophobicContact CG1-CD1 3.57Å; V559-I615 HydrophobicContact CG2-CD1 4.24Å; V559-M617 HydrophobicContact CG1-CB 4.04Å; V559-M617 HydrophobicContact CG1-CG 4.48Å; V559-M617 HydrophobicContact CG1-SD 3.76Å
560	I	76.1	Confident	72.2	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	118.7	-173.2	-64.2	157	0	0	0	109.4	H562 K563 V568 V618 V620 L645	I560-H562 PolarHBondContact O-N 2.93Å; I560-K563 HydrophobicContact CG2-CB 3.88Å; I560-K563 HydrophobicContact CG2-CD 3.78Å; I560-K563 HydrophobicContact CG2-CG 3.98Å; I560-V568 HydrophobicContact CD1-CG1 3.72Å; I560-V568 HydrophobicContact CD1-CG2 4.15Å; I560-V568 HydrophobicContact CG2-CG2 4.31Å; I560-V618 PolarHBondContact N-O 3.1Å; I560-V620 HydrophobicContact CD1-CB 4.05Å; I560-V620 HydrophobicContact CD1-CG2 3.44Å; I560-V620 VanDerWaalsContact CD1-CG2 3.44Å; I560-L645 HydrophobicContact CD1-CB 4.25Å; I560-L645 HydrophobicContact CD1-CD1 4.25Å; I560-L645 HydrophobicContact CD1-CD2 3.91Å; I560-L645 HydrophobicContact CD1-CG 4.37Å; I560-L645 HydrophobicContact CG1-CB 4.12Å; I560-L645 HydrophobicContact CG1-CD2 3.98Å; I560-L645 HydrophobicContact CG2-CD2 3.68Å
561	P	68.9	Low	73.6	Confident	85 Å²	85	61.6 Å²	61.6	55%	0.552	33%	0.331	S	S	*	.	S	Bend	trans	-67.1	120.7	177.3	26.7	-33.1	0	0	0	110.9	K563	P561-K563 PolarHBondContact O-N 3.15Å
562	H	60.7	Low	75.3	Confident	174 Å²	174	58.4 Å²	58.4	81%	0.806	32%	0.318	S	S	*	.	S	Bend	trans	41.7	45.8	163.8	-60.1	-79.6	0	0	0	117.5	I560	I560-H562 PolarHBondContact O-N 2.93Å
563	K	67	Low	77.5	Confident	70 Å²	70	52.5 Å²	52.5	30%	0.304	29%	0.294	S	S	.	.			trans	-106.9	141.7	166.8	-67.2	179.8	-178	175.9	0	111.1	I560 P561 V568 V618 N644 L645	I560-K563 HydrophobicContact CG2-CB 3.88Å; I560-K563 HydrophobicContact CG2-CD 3.78Å; I560-K563 HydrophobicContact CG2-CG 3.98Å; P561-K563 PolarHBondContact O-N 3.15Å; K563-V568 HydrophobicContact CB-CG2 3.74Å; K563-V618 WeakPolarHBondContact O-CG2 3.4Å; K563-N644 PolarHBondContact NZ-O 2.91Å; K563-L645 HydrophobicContact CD-CD2 3.63Å
564	C	85.7	Confident	79.6	Confident	64 Å²	64	53.7 Å²	53.7	43%	0.432	29%	0.29	S	S	.	.			trans	-62.5	137.3	174.3	176.6	0	0	0	0	110.4	E566 D567 V568	C564-E566 PolarHBondContact O-N 3.31Å; C564-E566 VanDerWaalsContact O-N 3.13Å; C564-D567 HydrophobicContact CB-CB 4.27Å; C564-D567 WeakPolarHBondContact CB-OD2 3.36Å; C564-D567 WeakPolarHBondContact O-CB 3.49Å; C564-D567 PolarHBondContact O-N 3.09Å; C564-V568 PolarHBondContact O-N 3.47Å
565	P	88.3	Confident	81.7	Confident	32 Å²	32	52 Å²	52	21%	0.208	28%	0.278	C	S	.	.	H	α-helix	trans	-53.8	-35.3	-179.7	-27.2	33.3	0	0	0	114.5	L548 V568 V569 W588 V609 V618	L548-P565 HydrophobicContact CD1-CB 4.3Å; L548-P565 HydrophobicContact CD2-CB 3.86Å; L548-P565 HydrophobicContact CD2-CG 3.57Å; P565-V568 PolarHBondContact O-N 3.17Å; P565-V569 WeakPolarHBondContact O-CG2 3.49Å; P565-V569 PolarHBondContact O-N 3.43Å; P565-V569 VanDerWaalsContact O-N 3.09Å; P565-W588 HydrophobicContact CB-CE3 4.26Å; P565-W588 HydrophobicContact CB-CH2 4.3Å; P565-W588 HydrophobicContact CB-CZ3 3.82Å; P565-V609 HydrophobicContact CB-CG1 3.99Å; P565-V618 HydrophobicContact CG-CG1 4.42Å; P565-V618 HydrophobicContact CG-CG2 3.77Å
566	E	91	Very high	83.7	Confident	64 Å²	64	48.3 Å²	48.3	30%	0.299	26%	0.255	S	S	.	.	H	α-helix	trans	-71.9	-34.1	179	-170.8	62.8	-160.7	0	0	112.1	C564 V569 R570 R585 W588	C564-E566 PolarHBondContact O-N 3.31Å; C564-E566 VanDerWaalsContact O-N 3.13Å; E566-V569 PolarHBondContact O-N 3.34Å; E566-R570 WeakPolarHBondContact O-CB 3.4Å; E566-R570 PolarHBondContact O-N 3.48Å; E566-R585 VanDerWaalsContact CD-NH2 3.34Å; E566-R585 IonicContact OE1-CZ 2.69Å; E566-R585 IonicContact OE1-NH1 2.82Å; E566-R585 PolarHBondContact OE1-NH1 2.84Å; E566-R585 IonicContact OE1-NH2 2.64Å; E566-R585 PolarHBondContact OE1-NH2 3.17Å; E566-R585 IonicContact OE2-CZ 2.72Å; E566-R585 IonicContact OE2-NH1 3.17Å; E566-R585 IonicContact OE2-NH2 3.29Å; E566-R585 PolarHBondContact OE2-NH2 3.35Å; E566-W588 HydrophobicContact CB-CZ3 4.44Å; E566-W588 WeakPolarHBondContact OE2-CZ3 3.5Å
567	D	89.5	Confident	84.8	Confident	64 Å²	64	52.4 Å²	52.4	34%	0.342	27%	0.273	S	S	.	.	H	α-helix	trans	-69.2	-40.1	174	-61.7	-25.2	0	0	0	110.8	C564 V569 R570 T571	C564-D567 HydrophobicContact CB-CB 4.27Å; C564-D567 WeakPolarHBondContact CB-OD2 3.36Å; C564-D567 WeakPolarHBondContact O-CB 3.49Å; C564-D567 PolarHBondContact O-N 3.09Å; D567-V569 PolarHBondContact O-N 2.88Å; D567-R570 PolarHBondContact O-N 2.95Å; D567-R570 IonicContact OD1-CZ 3.88Å; D567-R570 IonicContact OD1-NH1 3.32Å; D567-R570 PolarHBondContact OD1-NH1 3.43Å; D567-R570 IonicContact OD1-NH2 2.7Å; D567-R570 PolarHBondContact OD1-NH2 3.07Å; D567-T571 PolarHBondContact O-N 2.72Å; D567-T571 PolarHBondContact O-OG1 3.21Å
568	V	90.8	Very high	85.7	Confident	0 Å²	0	56 Å²	56	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-59.5	-46.2	173.6	177.9	0	0	0	0	110.8	I560 K563 C564 P565 R570 T571 L572 V609 V618 V620 L645	I560-V568 HydrophobicContact CD1-CG1 3.72Å; I560-V568 HydrophobicContact CD1-CG2 4.15Å; I560-V568 HydrophobicContact CG2-CG2 4.31Å; K563-V568 HydrophobicContact CB-CG2 3.74Å; C564-V568 PolarHBondContact O-N 3.47Å; P565-V568 PolarHBondContact O-N 3.17Å; V568-R570 VanDerWaalsContact C-N 3.33Å; V568-R570 PolarHBondContact O-N 3.23Å; V568-T571 PolarHBondContact O-N 2.73Å; V568-L572 HydrophobicContact CG1-CD1 4.15Å; V568-L572 WeakPolarHBondContact O-CB 3.22Å; V568-L572 VanDerWaalsContact O-CG 3.28Å; V568-L572 WeakPolarHBondContact O-CG 3.35Å; V568-L572 PolarHBondContact O-N 3.18Å; V568-V609 HydrophobicContact CB-CG1 4.33Å; V568-V609 HydrophobicContact CB-CG2 4.17Å; V568-V609 HydrophobicContact CG1-CG1 4.24Å; V568-V609 HydrophobicContact CG1-CG2 3.66Å; V568-V618 HydrophobicContact CG2-CG1 4.21Å; V568-V620 HydrophobicContact CG1-CG2 3.49Å; V568-V620 VanDerWaalsContact CG1-CG2 3.49Å; V568-L645 HydrophobicContact CG1-CD1 4Å; V568-L645 HydrophobicContact CG2-CD2 4.45Å
569	V	92.5	Very high	86.2	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-59.3	-42.9	174.3	172.5	0	0	0	0	111.7	P565 E566 D567 L573 R585 W588 V590 V609	P565-V569 WeakPolarHBondContact O-CG2 3.49Å; P565-V569 PolarHBondContact O-N 3.43Å; P565-V569 VanDerWaalsContact O-N 3.09Å; E566-V569 PolarHBondContact O-N 3.34Å; D567-V569 PolarHBondContact O-N 2.88Å; V569-L573 HydrophobicContact CG1-CD1 3.98Å; V569-L573 WeakPolarHBondContact O-CG 3.18Å; V569-L573 PolarHBondContact O-N 3.26Å; V569-L573 VanDerWaalsContact O-N 3.08Å; V569-R585 HydrophobicContact CG1-CG 4.22Å; V569-W588 HydrophobicContact CG2-CE3 3.89Å; V569-W588 HydrophobicContact CG2-CZ3 4.43Å; V569-V590 HydrophobicContact CG1-CG2 3.96Å; V569-V609 HydrophobicContact CG2-CB 4.22Å; V569-V609 HydrophobicContact CG2-CG2 3.53Å
570	R	92	Very high	86.8	Confident	118 Å²	118	58.8 Å²	58.8	45%	0.445	32%	0.319	S	S	.	.	H	α-helix	trans	-65.9	-45.9	-178.9	-160.1	-173.6	-47.2	106.4	12.7	112	E566 D567 V568 L573 N574	E566-R570 WeakPolarHBondContact O-CB 3.4Å; E566-R570 PolarHBondContact O-N 3.48Å; D567-R570 PolarHBondContact O-N 2.95Å; D567-R570 IonicContact OD1-CZ 3.88Å; D567-R570 IonicContact OD1-NH1 3.32Å; D567-R570 PolarHBondContact OD1-NH1 3.43Å; D567-R570 IonicContact OD1-NH2 2.7Å; D567-R570 PolarHBondContact OD1-NH2 3.07Å; V568-R570 VanDerWaalsContact C-N 3.33Å; V568-R570 PolarHBondContact O-N 3.23Å; R570-L573 PolarHBondContact O-N 2.7Å; R570-N574 VanDerWaalsContact O-CG 3.31Å; R570-N574 PolarHBondContact O-N 2.71Å; R570-N574 PolarHBondContact O-OD1 2.73Å
571	T	92.1	Very high	87.6	Confident	44 Å²	44	59.2 Å²	59.2	27%	0.27	32%	0.322	S	S	.	.	H	α-helix	trans	-62.1	-44.7	177.3	-56.7	0	0	0	0	111.1	D567 V568 L573 N574 V575 A643	D567-T571 PolarHBondContact O-N 2.72Å; D567-T571 PolarHBondContact O-OG1 3.21Å; V568-T571 PolarHBondContact O-N 2.73Å; T571-L573 PolarHBondContact O-N 3.3Å; T571-N574 PolarHBondContact O-N 3.45Å; T571-V575 HydrophobicContact CG2-CG2 4.35Å; T571-V575 WeakPolarHBondContact O-CB 3.42Å; T571-V575 WeakPolarHBondContact O-CG2 3.38Å; T571-V575 PolarHBondContact O-N 2.63Å; T571-A643 HydrophobicContact CG2-CB 3.62Å
572	L	92.9	Very high	88.7	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-59.8	-42.8	176.1	-73.4	173.9	0	0	0	112.6	V568 V575 F576 V590 F607 V609 V620 V639 L645	V568-L572 HydrophobicContact CG1-CD1 4.15Å; V568-L572 WeakPolarHBondContact O-CB 3.22Å; V568-L572 VanDerWaalsContact O-CG 3.28Å; V568-L572 WeakPolarHBondContact O-CG 3.35Å; V568-L572 PolarHBondContact O-N 3.18Å; L572-V575 PolarHBondContact O-N 3.25Å; L572-F576 WeakPolarHBondContact O-CD2 3.31Å; L572-F576 PolarHBondContact O-N 2.68Å; L572-V590 HydrophobicContact CB-CG2 4.35Å; L572-F607 HydrophobicContact CD1-CB 4.13Å; L572-F607 HydrophobicContact CD1-CD1 4.07Å; L572-F607 HydrophobicContact CD2-CD1 3.6Å; L572-F607 HydrophobicContact CD2-CE1 4.04Å; L572-F607 HydrophobicContact CG-CD1 4.47Å; L572-V609 HydrophobicContact CD1-CG2 4.34Å; L572-V620 HydrophobicContact CD1-CG1 4.31Å; L572-V620 HydrophobicContact CD1-CG2 3.85Å; L572-V639 HydrophobicContact CD2-CG1 3.73Å; L572-L645 HydrophobicContact CD2-CD1 3.94Å; L572-L645 HydrophobicContact CG-CD1 4.1Å
573	L	93.9	Very high	90.3	Very high	34 Å²	34	51.8 Å²	51.8	18%	0.178	29%	0.288	C	S	.	.	H	α-helix	trans	-59.8	-48.8	175.7	-75.1	164.4	0	0	0	111.4	V569 R570 T571 V575 F576 Q577 C583 R585 V590	V569-L573 HydrophobicContact CG1-CD1 3.98Å; V569-L573 WeakPolarHBondContact O-CG 3.18Å; V569-L573 PolarHBondContact O-N 3.26Å; V569-L573 VanDerWaalsContact O-N 3.08Å; R570-L573 PolarHBondContact O-N 2.7Å; T571-L573 PolarHBondContact O-N 3.3Å; L573-V575 VanDerWaalsContact C-N 3.35Å; L573-V575 PolarHBondContact O-N 2.75Å; L573-F576 PolarHBondContact O-N 2.76Å; L573-Q577 WeakPolarHBondContact O-CB 3.48Å; L573-Q577 PolarHBondContact O-N 2.71Å; L573-C583 HydrophobicContact CD2-CB 4.25Å; L573-R585 HydrophobicContact CD1-CB 4.26Å; L573-R585 HydrophobicContact CD2-CB 4.29Å; L573-V590 HydrophobicContact CD2-CG1 3.69Å; L573-V590 HydrophobicContact CD2-CG2 4.12Å; L573-V590 HydrophobicContact CG-CG1 4.2Å; L573-V590 HydrophobicContact CG-CG2 3.96Å
574	N	93.2	Very high	91.5	Very high	96 Å²	96	56.2 Å²	56.2	51%	0.513	31%	0.307	S	S	.	.	H	α-helix	trans	-60.4	-43	179.5	-67.7	-4.8	0	0	0	112	R570 T571 Q577 S578	R570-N574 VanDerWaalsContact O-CG 3.31Å; R570-N574 PolarHBondContact O-N 2.71Å; R570-N574 PolarHBondContact O-OD1 2.73Å; T571-N574 PolarHBondContact O-N 3.45Å; N574-Q577 PolarHBondContact O-N 3.07Å; N574-S578 PolarHBondContact O-N 3.26Å; N574-S578 PolarHBondContact O-OG 3.12Å
575	V	92.9	Very high	91.9	Very high	12 Å²	12	58.1 Å²	58.1	7%	0.073	31%	0.305	C	S	.	.	H	α-helix	trans	-72.9	-39	-178	172.2	0	0	0	0	112.5	T571 L572 L573 Q577 S578 K579 V639 L642 A643	T571-V575 HydrophobicContact CG2-CG2 4.35Å; T571-V575 WeakPolarHBondContact O-CB 3.42Å; T571-V575 WeakPolarHBondContact O-CG2 3.38Å; T571-V575 PolarHBondContact O-N 2.63Å; L572-V575 PolarHBondContact O-N 3.25Å; L573-V575 VanDerWaalsContact C-N 3.35Å; L573-V575 PolarHBondContact O-N 2.75Å; V575-Q577 VanDerWaalsContact C-N 3.26Å; V575-Q577 PolarHBondContact O-N 3.1Å; V575-S578 PolarHBondContact O-N 2.92Å; V575-S578 PolarHBondContact O-OG 2.71Å; V575-S578 VanDerWaalsContact O-OG 3.09Å; V575-K579 WeakPolarHBondContact O-CB 3.26Å; V575-K579 PolarHBondContact O-N 3.29Å; V575-K579 VanDerWaalsContact O-N 3.07Å; V575-V639 HydrophobicContact CG1-CB 4.23Å; V575-V639 HydrophobicContact CG1-CG1 4.07Å; V575-V639 HydrophobicContact CG1-CG2 4.26Å; V575-L642 HydrophobicContact CG1-CB 3.54Å; V575-L642 HydrophobicContact CG1-CD1 4.26Å; V575-L642 HydrophobicContact CG2-CB 4.24Å; V575-A643 HydrophobicContact CG2-CB 4.08Å
576	F	93.7	Very high	92.1	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-59.7	-42.2	169.5	-84.2	-60.3	0	0	0	111.1	L572 L573 K579 G580 V581 C583 V590 V605 F607 I635 V639	L572-F576 WeakPolarHBondContact O-CD2 3.31Å; L572-F576 PolarHBondContact O-N 2.68Å; L573-F576 PolarHBondContact O-N 2.76Å; F576-K579 PolarHBondContact O-N 3.28Å; F576-G580 PolarHBondContact O-N 2.86Å; F576-V581 HydrophobicContact CB-CB 4.32Å; F576-V581 HydrophobicContact CD1-CB 3.82Å; F576-V581 HydrophobicContact CD1-CG1 3.56Å; F576-V581 HydrophobicContact CD1-CG2 4.38Å; F576-V581 HydrophobicContact CE1-CG1 4.12Å; F576-V581 HydrophobicContact CG-CG1 4.41Å; F576-V581 WeakPolarHBondContact O-CA 3.28Å; F576-V581 WeakPolarHBondContact O-CB 3.42Å; F576-V581 PolarHBondContact O-N 2.89Å; F576-C583 HydrophobicContact CB-CB 3.83Å; F576-C583 HydrophobicContact CG-CB 4.37Å; F576-V590 HydrophobicContact CD2-CG1 3.63Å; F576-V590 HydrophobicContact CE2-CB 4.48Å; F576-V590 HydrophobicContact CE2-CG1 3.84Å; F576-V605 HydrophobicContact CE1-CG2 3.75Å; F576-V605 HydrophobicContact CZ-CG2 3.68Å; F576-F607 HydrophobicContact CE2-CB 4.34Å; F576-F607 HydrophobicContact CE2-CD1 4.39Å; F576-F607 HydrophobicContact CE2-CD2 4.18Å; F576-F607 HydrophobicContact CE2-CG 4.05Å; F576-F607 HydrophobicContact CZ-CD1 4.41Å; F576-F607 AromaticContact CZ-CD2 3.68Å; F576-F607 HydrophobicContact CZ-CD2 3.68Å; F576-F607 AromaticContact CZ-CE2 3.85Å; F576-F607 HydrophobicContact CZ-CE2 3.85Å; F576-F607 HydrophobicContact CZ-CG 4Å; F576-F607 HydrophobicContact CZ-CZ 4.3Å; F576-I635 HydrophobicContact CE1-CG2 4.3Å; F576-V639 HydrophobicContact CD1-CG2 3.84Å; F576-V639 HydrophobicContact CD2-CG1 4.41Å; F576-V639 HydrophobicContact CE1-CG1 4.3Å; F576-V639 HydrophobicContact CE1-CG2 3.74Å; F576-V639 HydrophobicContact CE2-CG1 4.12Å; F576-V639 HydrophobicContact CZ-CG1 4.07Å; F576-V639 HydrophobicContact CZ-CG2 4.31Å
577	Q	92.1	Very high	92.1	Very high	138 Å²	138	63.4 Å²	63.4	65%	0.645	33%	0.334	S	S	*	.	H	α-helix	trans	-69.1	-37	-177.9	-165.1	165.5	-6.9	0	0	112.4	L573 N574 V575 G580	L573-Q577 WeakPolarHBondContact O-CB 3.48Å; L573-Q577 PolarHBondContact O-N 2.71Å; N574-Q577 PolarHBondContact O-N 3.07Å; V575-Q577 VanDerWaalsContact C-N 3.26Å; V575-Q577 PolarHBondContact O-N 3.1Å; Q577-G580 PolarHBondContact O-N 2.72Å
578	S	92	Very high	92.3	Very high	92 Å²	92	62.7 Å²	62.7	64%	0.643	33%	0.326	S	S	*	.	H	α-helix	trans	-71	-34	174.6	68	0	0	0	0	113.3	N574 V575 G580	N574-S578 PolarHBondContact O-N 3.26Å; N574-S578 PolarHBondContact O-OG 3.12Å; V575-S578 PolarHBondContact O-N 2.92Å; V575-S578 PolarHBondContact O-OG 2.71Å; V575-S578 VanDerWaalsContact O-OG 3.09Å; S578-G580 PolarHBondContact O-N 2.98Å
579	K	89.1	Confident	92.4	Very high	88 Å²	88	63.8 Å²	63.8	38%	0.383	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	3.6	168.5	-83.2	-86.1	-179.4	168.7	0	113.9	V575 F576 V581 D638 L642	V575-K579 WeakPolarHBondContact O-CB 3.26Å; V575-K579 PolarHBondContact O-N 3.29Å; V575-K579 VanDerWaalsContact O-N 3.07Å; F576-K579 PolarHBondContact O-N 3.28Å; K579-V581 HydrophobicContact CB-CG2 4.15Å; K579-V581 PolarHBondContact O-N 2.98Å; K579-D638 WeakPolarHBondContact CE-OD1 3.32Å; K579-D638 IonicContact NZ-OD1 3.74Å; K579-D638 PolarHBondContact NZ-OD1 3.06Å; K579-D638 IonicContact NZ-OD2 2.89Å; K579-D638 PolarHBondContact NZ-OD2 3.41Å; K579-L642 HydrophobicContact CD-CD1 4.27Å; K579-L642 HydrophobicContact CG-CD1 3.9Å
580	G	89.6	Confident	92.5	Very high	59 Å²	59	63.8 Å²	63.8	61%	0.608	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.9	11.9	-179.1	0	0	0	0	0	114.6	F576 Q577 S578	F576-G580 PolarHBondContact O-N 2.86Å; Q577-G580 PolarHBondContact O-N 2.72Å; S578-G580 PolarHBondContact O-N 2.98Å
581	V	90.9	Very high	92.6	Very high	9 Å²	9	63.3 Å²	63.3	6%	0.055	33%	0.331	C	S	.	.			trans	-84	121.5	-179.2	177.5	0	0	0	0	109	F576 K579 C583 A594 I635	F576-V581 HydrophobicContact CB-CB 4.32Å; F576-V581 HydrophobicContact CD1-CB 3.82Å; F576-V581 HydrophobicContact CD1-CG1 3.56Å; F576-V581 HydrophobicContact CD1-CG2 4.38Å; F576-V581 HydrophobicContact CE1-CG1 4.12Å; F576-V581 HydrophobicContact CG-CG1 4.41Å; F576-V581 WeakPolarHBondContact O-CA 3.28Å; F576-V581 WeakPolarHBondContact O-CB 3.42Å; F576-V581 PolarHBondContact O-N 2.89Å; K579-V581 HydrophobicContact CB-CG2 4.15Å; K579-V581 PolarHBondContact O-N 2.98Å; V581-C583 PolarHBondContact O-N 3.36Å; V581-A594 HydrophobicContact CG1-CB 4.47Å; V581-A594 HydrophobicContact CG2-CB 4.17Å; V581-I635 HydrophobicContact CG2-CD1 4.46Å
582	V	92.8	Very high	92.7	Very high	77 Å²	77	61.2 Å²	61.2	47%	0.467	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	101.8	-175.7	-178	0	0	0	0	109.8	K593 K595	V582-K593 HydrophobicContact CB-CB 4.39Å; V582-K593 PolarHBondContact N-O 2.7Å; V582-K593 PolarHBondContact O-N 3.32Å; V582-K595 HydrophobicContact CG2-CD 4.4Å
583	C	93.8	Very high	92.7	Very high	26 Å²	26	65.7 Å²	65.7	18%	0.176	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	153.1	-176.9	60	0	0	0	0	113.8	L573 F576 V581 V590 R591	L573-C583 HydrophobicContact CD2-CB 4.25Å; F576-C583 HydrophobicContact CB-CB 3.83Å; F576-C583 HydrophobicContact CG-CB 4.37Å; V581-C583 PolarHBondContact O-N 3.36Å; C583-V590 HydrophobicContact CB-CG1 4.27Å; C583-R591 CarbonylContact C-O 3.56Å; C583-R591 VanDerWaalsContact CA-O 3.28Å; C583-R591 WeakPolarHBondContact CA-O 3.16Å
584	K	93.4	Very high	92.6	Very high	164 Å²	164	64.2 Å²	64.2	71%	0.713	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.8	137.3	161.8	-74	-162	173.9	-167.2	0	111.2	R591	K584-R591 PolarHBondContact N-O 2.72Å; K584-R591 PolarHBondContact O-N 3.27Å
585	R	94.6	Very high	92.3	Very high	104 Å²	104	64.8 Å²	64.8	39%	0.392	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	146.9	170	-172.4	-178.4	177.4	171	8.1	111.6	E566 V569 L573 G587 T589	E566-R585 VanDerWaalsContact CD-NH2 3.34Å; E566-R585 IonicContact OE1-CZ 2.69Å; E566-R585 IonicContact OE1-NH1 2.82Å; E566-R585 PolarHBondContact OE1-NH1 2.84Å; E566-R585 IonicContact OE1-NH2 2.64Å; E566-R585 PolarHBondContact OE1-NH2 3.17Å; E566-R585 IonicContact OE2-CZ 2.72Å; E566-R585 IonicContact OE2-NH1 3.17Å; E566-R585 IonicContact OE2-NH2 3.29Å; E566-R585 PolarHBondContact OE2-NH2 3.35Å; V569-R585 HydrophobicContact CG1-CG 4.22Å; L573-R585 HydrophobicContact CD1-CB 4.26Å; L573-R585 HydrophobicContact CD2-CB 4.29Å; R585-G587 WeakPolarHBondContact CG-O 3.48Å; R585-G587 PolarHBondContact NE-O 3.13Å; R585-T589 CarbonylContact C-O 3.55Å; R585-T589 WeakPolarHBondContact CA-O 3.49Å
586	K	91.6	Very high	91.7	Very high	172 Å²	172	67.2 Å²	67.2	75%	0.748	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-148.1	99.7	163.8	-174.9	-170.8	175.2	-166.3	0	109.1	W588 T589	K586-W588 PolarHBondContact O-N 3.31Å; K586-T589 PolarHBondContact N-O 3.12Å; K586-T589 PolarHBondContact O-N 3.42Å; K586-T589 VanDerWaalsContact O-N 3.14Å
587	G	91.9	Very high	91	Very high	35 Å²	35	72.9 Å²	72.9	36%	0.361	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.2	-127	-171.7	0	0	0	0	0	110.8	R585 T589	R585-G587 WeakPolarHBondContact CG-O 3.48Å; R585-G587 PolarHBondContact NE-O 3.13Å; G587-T589 VanDerWaalsContact C-N 3.32Å
588	W	92.6	Very high	90.4	Very high	48 Å²	48	71 Å²	71	18%	0.182	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-3.4	175.3	-56.8	112.6	0	0	0	114.3	T546 L548 P565 E566 V569 K586 V609	T546-W588 PolarHBondContact O-NE1 3.37Å; L548-W588 HydrophobicContact CD1-CB 4.08Å; L548-W588 HydrophobicContact CD1-CD2 3.51Å; L548-W588 HydrophobicContact CD1-CE3 3.96Å; L548-W588 HydrophobicContact CD1-CG 3.53Å; P565-W588 HydrophobicContact CB-CE3 4.26Å; P565-W588 HydrophobicContact CB-CH2 4.3Å; P565-W588 HydrophobicContact CB-CZ3 3.82Å; E566-W588 HydrophobicContact CB-CZ3 4.44Å; E566-W588 WeakPolarHBondContact OE2-CZ3 3.5Å; V569-W588 HydrophobicContact CG2-CE3 3.89Å; V569-W588 HydrophobicContact CG2-CZ3 4.43Å; K586-W588 PolarHBondContact O-N 3.31Å; W588-V609 HydrophobicContact CB-CB 4.47Å; W588-V609 PolarHBondContact O-N 3.31Å
589	T	92.8	Very high	89.8	Confident	23 Å²	23	68.2 Å²	68.2	14%	0.141	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	129.1	178.5	-38.4	0	0	0	0	111.5	R585 K586 G587 E606 F607 E608	R585-T589 CarbonylContact C-O 3.55Å; R585-T589 WeakPolarHBondContact CA-O 3.49Å; K586-T589 PolarHBondContact N-O 3.12Å; K586-T589 PolarHBondContact O-N 3.42Å; K586-T589 VanDerWaalsContact O-N 3.14Å; G587-T589 VanDerWaalsContact C-N 3.32Å; T589-E606 HydrophobicContact CG2-CB 3.91Å; T589-E606 HydrophobicContact CG2-CG 3.94Å; T589-F607 CarbonylContact C-O 3.58Å; T589-F607 WeakPolarHBondContact CA-O 3.44Å; T589-E608 HydrophobicContact CG2-CB 4.35Å
590	V	94.5	Very high	89.2	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	119.7	164.7	-178.3	0	0	0	0	108.2	V569 L572 L573 F576 C583 F607	V569-V590 HydrophobicContact CG1-CG2 3.96Å; L572-V590 HydrophobicContact CB-CG2 4.35Å; L573-V590 HydrophobicContact CD2-CG1 3.69Å; L573-V590 HydrophobicContact CD2-CG2 4.12Å; L573-V590 HydrophobicContact CG-CG1 4.2Å; L573-V590 HydrophobicContact CG-CG2 3.96Å; F576-V590 HydrophobicContact CD2-CG1 3.63Å; F576-V590 HydrophobicContact CE2-CB 4.48Å; F576-V590 HydrophobicContact CE2-CG1 3.84Å; C583-V590 HydrophobicContact CB-CG1 4.27Å; V590-F607 PolarHBondContact N-O 2.92Å; V590-F607 PolarHBondContact O-N 3.08Å
591	R	94.8	Very high	88.8	Confident	109 Å²	109	69.5 Å²	69.5	41%	0.411	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	116.2	177.3	-174.3	-177.5	-68.2	-158.1	-5.5	110.2	C583 K584 T604 V605 E606 L625	C583-R591 CarbonylContact C-O 3.56Å; C583-R591 VanDerWaalsContact CA-O 3.28Å; C583-R591 WeakPolarHBondContact CA-O 3.16Å; K584-R591 PolarHBondContact N-O 2.72Å; K584-R591 PolarHBondContact O-N 3.27Å; R591-T604 HydrophobicContact CG-CG2 4.24Å; R591-V605 CarbonylContact C-O 3.37Å; R591-V605 VanDerWaalsContact CA-O 3.3Å; R591-V605 WeakPolarHBondContact CA-O 3.44Å; R591-V605 WeakPolarHBondContact CG-O 3.39Å; R591-E606 HydrophobicContact CB-CG 3.89Å; R591-E606 HydrophobicContact CG-CG 3.77Å; R591-E606 IonicContact CZ-OE1 3.65Å; R591-E606 IonicContact NE-OE1 2.76Å; R591-E606 PolarHBondContact NE-OE1 2.97Å; R591-E606 IonicContact NH2-OE1 2.68Å; R591-E606 PolarHBondContact NH2-OE1 3.41Å; R591-E606 IonicContact NH2-OE2 2.79Å; R591-L625 HydrophobicContact CG-CD1 4.47Å
592	G	93.9	Very high	88.4	Confident	0 Å²	0	73.2 Å²	73.2	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	145.8	176	0	0	0	0	0	112.8	T604 V605	G592-T604 WeakPolarHBondContact O-CA 3.48Å; G592-V605 PolarHBondContact N-O 3.34Å; G592-V605 PolarHBondContact O-N 3.28Å
593	K	93.3	Very high	88	Confident	93 Å²	93	69.6 Å²	69.6	40%	0.404	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	107	170.5	-73.1	-169.9	167.9	-165.7	0	110.5	V582 V601 T604	V582-K593 HydrophobicContact CB-CB 4.39Å; V582-K593 PolarHBondContact N-O 2.7Å; V582-K593 PolarHBondContact O-N 3.32Å; K593-V601 HydrophobicContact CB-CG1 4.21Å; K593-V601 HydrophobicContact CB-CG2 4.49Å; K593-V601 HydrophobicContact CD-CG1 4.45Å; K593-V601 HydrophobicContact CD-CG2 4.36Å; K593-V601 HydrophobicContact CG-CG1 4.37Å; K593-T604 HydrophobicContact CG-CG2 3.94Å
594	A	90.6	Very high	87.9	Confident	3 Å²	3	69 Å²	69	3%	0.025	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	144.1	176.3	0	0	0	0	0	110	V581 V601 Y602 L603 I635	V581-A594 HydrophobicContact CG1-CB 4.47Å; V581-A594 HydrophobicContact CG2-CB 4.17Å; A594-V601 WeakPolarHBondContact O-CA 3.37Å; A594-Y602 HydrophobicContact CB-CD1 4.47Å; A594-Y602 HydrophobicContact CB-CE1 3.78Å; A594-Y602 HydrophobicContact CB-CE2 4.09Å; A594-Y602 PolarHBondContact O-N 3.5Å; A594-L603 HydrophobicContact CB-CB 4.12Å; A594-L603 PolarHBondContact N-O 3.22Å; A594-I635 HydrophobicContact CB-CD1 3.53Å
595	K	87.6	Confident	87.8	Confident	108 Å²	108	61.2 Å²	61.2	47%	0.47	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	146.2	-175.7	-71.9	-179.8	167.6	-163.8	0	111.2	V582 G599 R600 V601 Y602	V582-K595 HydrophobicContact CG2-CD 4.4Å; K595-G599 WeakPolarHBondContact CD-O 3.16Å; K595-G599 WeakPolarHBondContact CE-O 3.48Å; K595-R600 CarbonylContact C-O 3.6Å; K595-R600 VanDerWaalsContact CA-O 3.22Å; K595-R600 WeakPolarHBondContact CA-O 3.44Å; K595-V601 HydrophobicContact CG-CG2 3.93Å; K595-Y602 VanDerWaalsContact C-CE1 3.45Å; K595-Y602 WeakPolarHBondContact O-CE1 3.39Å
596	D	80.9	Confident	87.6	Confident	63 Å²	63	57.8 Å²	57.8	34%	0.337	31%	0.307	S	S	.	.			trans	-78.7	176.2	168.6	69.2	20.8	0	0	0	111.4	S598 G599 R600 Y602	D596-S598 PolarHBondContact O-N 2.77Å; D596-S598 VanDerWaalsContact O-N 3.12Å; D596-S598 VanDerWaalsContact OD1-CA 3.29Å; D596-S598 WeakPolarHBondContact OD1-CA 3.17Å; D596-S598 VanDerWaalsContact OD1-CB 3.31Å; D596-S598 WeakPolarHBondContact OD1-CB 3.24Å; D596-S598 PolarHBondContact OD1-N 3.05Å; D596-S598 PolarHBondContact OD1-OG 2.83Å; D596-S598 PolarHBondContact OD2-OG 3.36Å; D596-G599 WeakPolarHBondContact O-CA 3.43Å; D596-G599 PolarHBondContact O-N 2.87Å; D596-G599 PolarHBondContact OD1-N 3.02Å; D596-G599 VanDerWaalsContact OD1-N 3.11Å; D596-R600 PolarHBondContact N-O 3.01Å; D596-R600 WeakPolarHBondContact OD1-CB 3.5Å; D596-R600 PolarHBondContact OD1-N 3.36Å; D596-R600 VanDerWaalsContact OD1-N 3.07Å; D596-R600 WeakPolarHBondContact OD2-CB 3.36Å; D596-Y602 HydrophobicContact CB-CD1 4.35Å
597	A	78.9	Confident	87.7	Confident	119 Å²	119	49.6 Å²	49.6	98%	0.983	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-11.5	178.2	0	0	0	0	0	114.4
598	S	78.1	Confident	87.7	Confident	98 Å²	98	50 Å²	50	69%	0.685	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-6.7	170.9	81.5	0	0	0	0	113	D596 R600	D596-S598 PolarHBondContact O-N 2.77Å; D596-S598 VanDerWaalsContact O-N 3.12Å; D596-S598 VanDerWaalsContact OD1-CA 3.29Å; D596-S598 WeakPolarHBondContact OD1-CA 3.17Å; D596-S598 VanDerWaalsContact OD1-CB 3.31Å; D596-S598 WeakPolarHBondContact OD1-CB 3.24Å; D596-S598 PolarHBondContact OD1-N 3.05Å; D596-S598 PolarHBondContact OD1-OG 2.83Å; D596-S598 PolarHBondContact OD2-OG 3.36Å; S598-R600 VanDerWaalsContact C-N 3.35Å
599	G	79.8	Confident	87.6	Confident	35 Å²	35	47.8 Å²	47.8	36%	0.361	26%	0.256	S	S	.	.			trans	85.8	1.8	-176.4	0	0	0	0	0	114.5	K595 D596	K595-G599 WeakPolarHBondContact CD-O 3.16Å; K595-G599 WeakPolarHBondContact CE-O 3.48Å; D596-G599 WeakPolarHBondContact O-CA 3.43Å; D596-G599 PolarHBondContact O-N 2.87Å; D596-G599 PolarHBondContact OD1-N 3.02Å; D596-G599 VanDerWaalsContact OD1-N 3.11Å
600	R	76	Confident	87.5	Confident	128 Å²	128	46.7 Å²	46.7	48%	0.483	25%	0.249	S	C	.	.			trans	-68.8	132.5	176.2	-173.7	-162.9	-165.9	100.6	8.7	109.2	E524 K595 D596 S598 Y602	E524-R600 IonicContact OE1-CZ 3.23Å; E524-R600 VanDerWaalsContact OE1-CZ 3.24Å; E524-R600 IonicContact OE1-NH1 2.72Å; E524-R600 PolarHBondContact OE1-NH1 3.2Å; E524-R600 IonicContact OE1-NH2 3.15Å; E524-R600 PolarHBondContact OE1-NH2 2.76Å; E524-R600 IonicContact OE2-CZ 3.61Å; E524-R600 IonicContact OE2-NH1 2.59Å; E524-R600 PolarHBondContact OE2-NH1 3.3Å; K595-R600 CarbonylContact C-O 3.6Å; K595-R600 VanDerWaalsContact CA-O 3.22Å; K595-R600 WeakPolarHBondContact CA-O 3.44Å; D596-R600 PolarHBondContact N-O 3.01Å; D596-R600 WeakPolarHBondContact OD1-CB 3.5Å; D596-R600 PolarHBondContact OD1-N 3.36Å; D596-R600 VanDerWaalsContact OD1-N 3.07Å; D596-R600 WeakPolarHBondContact OD2-CB 3.36Å; S598-R600 VanDerWaalsContact C-N 3.35Å; R600-Y602 PolarHBondContact O-N 3.4Å
601	V	82	Confident	87.1	Confident	46 Å²	46	51.9 Å²	51.9	28%	0.279	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	109.2	174.7	178.7	0	0	0	0	108.8	K593 A594 K595 L603 T604	K593-V601 HydrophobicContact CB-CG1 4.21Å; K593-V601 HydrophobicContact CB-CG2 4.49Å; K593-V601 HydrophobicContact CD-CG1 4.45Å; K593-V601 HydrophobicContact CD-CG2 4.36Å; K593-V601 HydrophobicContact CG-CG1 4.37Å; A594-V601 WeakPolarHBondContact O-CA 3.37Å; K595-V601 HydrophobicContact CG-CG2 3.93Å; V601-L603 VanDerWaalsContact CG1-O 3.31Å; V601-L603 WeakPolarHBondContact CG1-O 3.07Å; V601-T604 WeakPolarHBondContact CG1-OG1 3.41Å
602	Y	81.7	Confident	86.3	Confident	87 Å²	87	46.8 Å²	46.8	34%	0.341	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	-36.2	175.1	67.9	-92.7	0	0	0	111.9	A594 K595 D596 R600 G627 S631 I635	A594-Y602 HydrophobicContact CB-CD1 4.47Å; A594-Y602 HydrophobicContact CB-CE1 3.78Å; A594-Y602 HydrophobicContact CB-CE2 4.09Å; A594-Y602 PolarHBondContact O-N 3.5Å; K595-Y602 VanDerWaalsContact C-CE1 3.45Å; K595-Y602 WeakPolarHBondContact O-CE1 3.39Å; D596-Y602 HydrophobicContact CB-CD1 4.35Å; R600-Y602 PolarHBondContact O-N 3.4Å; Y602-G627 WeakPolarHBondContact O-CA 3.41Å; Y602-S631 WeakPolarHBondContact CE2-OG 3.39Å; Y602-I635 HydrophobicContact CE2-CD1 4.45Å
603	L	85.9	Confident	85.4	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.005	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	143.6	-179.7	-175.2	79.3	0	0	0	111.7	A594 V601 V605 N626 S631 I635	A594-L603 HydrophobicContact CB-CB 4.12Å; A594-L603 PolarHBondContact N-O 3.22Å; V601-L603 VanDerWaalsContact CG1-O 3.31Å; V601-L603 WeakPolarHBondContact CG1-O 3.07Å; L603-V605 HydrophobicContact CD1-CG1 4.25Å; L603-V605 HydrophobicContact CD2-CG1 3.6Å; L603-V605 HydrophobicContact CG-CG1 3.78Å; L603-N626 CarbonylContact C-O 3.48Å; L603-N626 WeakPolarHBondContact CA-O 3.26Å; L603-N626 WeakPolarHBondContact CD1-O 3.45Å; L603-S631 WeakPolarHBondContact CD2-O 3.49Å; L603-I635 HydrophobicContact CD2-CB 3.93Å; L603-I635 HydrophobicContact CD2-CD1 3.7Å; L603-I635 HydrophobicContact CD2-CG1 4.29Å; L603-I635 HydrophobicContact CD2-CG2 4.1Å
604	T	90	Very high	84.4	Confident	13 Å²	13	49.2 Å²	49.2	8%	0.08	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	131.1	165.8	-59.3	0	0	0	0	109.9	R591 G592 K593 V601 L625 N626	R591-T604 HydrophobicContact CG-CG2 4.24Å; G592-T604 WeakPolarHBondContact O-CA 3.48Å; K593-T604 HydrophobicContact CG-CG2 3.94Å; V601-T604 WeakPolarHBondContact CG1-OG1 3.41Å; T604-L625 HydrophobicContact CG2-CB 4.01Å; T604-L625 HydrophobicContact CG2-CD1 4.03Å; T604-L625 WeakPolarHBondContact O-CB 3.44Å; T604-L625 PolarHBondContact O-N 2.84Å; T604-N626 PolarHBondContact N-O 2.69Å; T604-N626 PolarHBondContact O-N 2.89Å
605	V	91.5	Very high	83.6	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.006	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	154.4	-175.9	-54.7	0	0	0	0	111.5	F576 R591 G592 L603 F607 K623 Y632	F576-V605 HydrophobicContact CE1-CG2 3.75Å; F576-V605 HydrophobicContact CZ-CG2 3.68Å; R591-V605 CarbonylContact C-O 3.37Å; R591-V605 VanDerWaalsContact CA-O 3.3Å; R591-V605 WeakPolarHBondContact CA-O 3.44Å; R591-V605 WeakPolarHBondContact CG-O 3.39Å; G592-V605 PolarHBondContact N-O 3.34Å; G592-V605 PolarHBondContact O-N 3.28Å; L603-V605 HydrophobicContact CD1-CG1 4.25Å; L603-V605 HydrophobicContact CD2-CG1 3.6Å; L603-V605 HydrophobicContact CG-CG1 3.78Å; V605-F607 HydrophobicContact CB-CE2 4.46Å; V605-F607 HydrophobicContact CG2-CD2 4.17Å; V605-F607 HydrophobicContact CG2-CE2 4.16Å; V605-K623 CarbonylContact C-O 3.49Å; V605-K623 WeakPolarHBondContact CA-O 3.46Å; V605-Y632 HydrophobicContact CG1-CD2 3.69Å; V605-Y632 HydrophobicContact CG1-CE2 4.1Å
606	E	92.1	Very high	83	Confident	31 Å²	31	52.6 Å²	52.6	15%	0.145	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	134.2	164.9	-77.3	-173.5	137.1	0	0	110.7	T589 R591 K623 L625	T589-E606 HydrophobicContact CG2-CB 3.91Å; T589-E606 HydrophobicContact CG2-CG 3.94Å; R591-E606 HydrophobicContact CB-CG 3.89Å; R591-E606 HydrophobicContact CG-CG 3.77Å; R591-E606 IonicContact CZ-OE1 3.65Å; R591-E606 IonicContact NE-OE1 2.76Å; R591-E606 PolarHBondContact NE-OE1 2.97Å; R591-E606 IonicContact NH2-OE1 2.68Å; R591-E606 PolarHBondContact NH2-OE1 3.41Å; R591-E606 IonicContact NH2-OE2 2.79Å; E606-K623 HydrophobicContact CB-CB 4.37Å; E606-K623 PolarHBondContact N-O 2.9Å; E606-K623 PolarHBondContact O-N 3.27Å; E606-L625 HydrophobicContact CG-CD1 3.68Å; E606-L625 HydrophobicContact CG-CG 4.14Å
607	F	92.2	Very high	83.1	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	117.7	173.2	-85.2	-129.9	0	0	0	106.4	L572 F576 T589 V590 V605 V620 R621 R622 C636 V639 L640	L572-F607 HydrophobicContact CD1-CB 4.13Å; L572-F607 HydrophobicContact CD1-CD1 4.07Å; L572-F607 HydrophobicContact CD2-CD1 3.6Å; L572-F607 HydrophobicContact CD2-CE1 4.04Å; L572-F607 HydrophobicContact CG-CD1 4.47Å; F576-F607 HydrophobicContact CE2-CB 4.34Å; F576-F607 HydrophobicContact CE2-CD1 4.39Å; F576-F607 HydrophobicContact CE2-CD2 4.18Å; F576-F607 HydrophobicContact CE2-CG 4.05Å; F576-F607 HydrophobicContact CZ-CD1 4.41Å; F576-F607 AromaticContact CZ-CD2 3.68Å; F576-F607 HydrophobicContact CZ-CD2 3.68Å; F576-F607 AromaticContact CZ-CE2 3.85Å; F576-F607 HydrophobicContact CZ-CE2 3.85Å; F576-F607 HydrophobicContact CZ-CG 4Å; F576-F607 HydrophobicContact CZ-CZ 4.3Å; T589-F607 CarbonylContact C-O 3.58Å; T589-F607 WeakPolarHBondContact CA-O 3.44Å; V590-F607 PolarHBondContact N-O 2.92Å; V590-F607 PolarHBondContact O-N 3.08Å; V605-F607 HydrophobicContact CB-CE2 4.46Å; V605-F607 HydrophobicContact CG2-CD2 4.17Å; V605-F607 HydrophobicContact CG2-CE2 4.16Å; F607-V620 HydrophobicContact CB-CG1 4.28Å; F607-V620 HydrophobicContact CD1-CG1 3.38Å; F607-V620 HydrophobicContact CE1-CG1 3.95Å; F607-V620 HydrophobicContact CG-CG1 4.11Å; F607-R621 WeakPolarHBondContact CA-O 3.4Å; F607-R622 HydrophobicContact CD1-CG 4.46Å; F607-R622 HydrophobicContact CD2-CG 4.48Å; F607-R622 HydrophobicContact CE1-CG 4.04Å; F607-R622 HydrophobicContact CE2-CG 4.07Å; F607-R622 HydrophobicContact CZ-CG 3.82Å; F607-C636 HydrophobicContact CZ-CB 4.14Å; F607-V639 HydrophobicContact CD1-CG1 4.42Å; F607-V639 HydrophobicContact CE1-CB 4.4Å; F607-V639 HydrophobicContact CE1-CG1 3.87Å; F607-V639 HydrophobicContact CZ-CB 4.41Å; F607-V639 HydrophobicContact CZ-CG1 4.27Å; F607-L640 HydrophobicContact CE1-CD2 4.26Å; F607-L640 HydrophobicContact CE1-CG 4.29Å
608	E	91.8	Very high	83.4	Confident	45 Å²	45	47.5 Å²	47.5	21%	0.21	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	121.5	-178	-174.9	175.6	-161.2	0	0	109.6	T589 V610 R621	T589-E608 HydrophobicContact CG2-CB 4.35Å; E608-V610 HydrophobicContact CG-CG1 4.21Å; E608-R621 HydrophobicContact CB-CB 4.4Å; E608-R621 PolarHBondContact N-O 2.96Å; E608-R621 PolarHBondContact O-N 2.89Å; E608-R621 IonicContact OE2-CZ 2.69Å; E608-R621 VanDerWaalsContact OE2-CZ 3.29Å; E608-R621 IonicContact OE2-NE 2.85Å; E608-R621 PolarHBondContact OE2-NE 3.23Å; E608-R621 IonicContact OE2-NH2 3.73Å; E608-R621 PolarHBondContact OE2-NH2 2.83Å
609	V	91.4	Very high	83.9	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	130.4	173.8	-171.6	0	0	0	0	108.3	L548 P565 V568 V569 L572 W588 V618 G619 V620	L548-V609 HydrophobicContact CD1-CB 4.32Å; L548-V609 HydrophobicContact CD1-CG1 4.19Å; L548-V609 WeakPolarHBondContact CD1-O 3.47Å; P565-V609 HydrophobicContact CB-CG1 3.99Å; V568-V609 HydrophobicContact CB-CG1 4.33Å; V568-V609 HydrophobicContact CB-CG2 4.17Å; V568-V609 HydrophobicContact CG1-CG1 4.24Å; V568-V609 HydrophobicContact CG1-CG2 3.66Å; V569-V609 HydrophobicContact CG2-CB 4.22Å; V569-V609 HydrophobicContact CG2-CG2 3.53Å; L572-V609 HydrophobicContact CD1-CG2 4.34Å; W588-V609 HydrophobicContact CB-CB 4.47Å; W588-V609 PolarHBondContact O-N 3.31Å; V609-V618 HydrophobicContact CG1-CG1 3.42Å; V609-V618 VanDerWaalsContact CG1-CG1 3.42Å; V609-G619 CarbonylContact C-O 3.53Å; V609-G619 WeakPolarHBondContact CA-O 3.5Å; V609-V620 HydrophobicContact CG2-CG2 4.2Å
610	V	89.7	Confident	84.4	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	162.3	-175.5	-62.3	0	0	0	0	110.3	A549 V557 E608 V618 G619 R621	A549-V610 HydrophobicContact CB-CG1 4.27Å; A549-V610 WeakPolarHBondContact O-CA 3.49Å; A549-V610 WeakPolarHBondContact O-CB 3.42Å; V557-V610 HydrophobicContact CG1-CG2 3.83Å; V557-V610 HydrophobicContact CG2-CG2 4.47Å; E608-V610 HydrophobicContact CG-CG1 4.21Å; V610-V618 WeakPolarHBondContact O-CA 3.41Å; V610-G619 WeakPolarHBondContact CG2-O 3.32Å; V610-G619 PolarHBondContact N-O 3.22Å; V610-G619 PolarHBondContact O-N 3.12Å; V610-R621 HydrophobicContact CG1-CB 4.16Å; V610-R621 HydrophobicContact CG2-CB 4.46Å
611	R	86	Confident	84.9	Confident	109 Å²	109	38.5 Å²	38.5	41%	0.411	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	130.7	167.1	-159.1	167.9	180	151.7	-3.5	108.4	L548 A549 Y551 D616	L548-R611 HydrophobicContact CD2-CB 3.94Å; L548-R611 HydrophobicContact CG-CB 4.35Å; A549-R611 PolarHBondContact O-N 2.89Å; Y551-R611 PolarHBondContact N-O 3.27Å; R611-D616 IonicContact CZ-OD1 3.8Å; R611-D616 IonicContact CZ-OD2 2.64Å; R611-D616 IonicContact NE-OD1 2.71Å; R611-D616 PolarHBondContact NE-OD1 3.16Å; R611-D616 IonicContact NE-OD2 2.7Å; R611-D616 IonicContact NH2-OD1 3.17Å; R611-D616 PolarHBondContact NH2-OD1 2.99Å; R611-D616 IonicContact NH2-OD2 3.7Å; R611-D616 PolarHBondContact NH2-OD2 3.07Å
612	I	79.7	Confident	85.2	Confident	2 Å²	2	38.8 Å²	38.8	1%	0.01	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	106.9	-176.5	-52.6	175.2	0	0	0	108.1	Y551 A553 V557 V559 S614 I615 D616 M617	Y551-I612 WeakPolarHBondContact O-CA 3.44Å; A553-I612 HydrophobicContact CB-CG2 3.96Å; V557-I612 HydrophobicContact CG1-CD1 3.79Å; V557-I612 HydrophobicContact CG1-CG1 4.24Å; V559-I612 HydrophobicContact CB-CD1 4.36Å; V559-I612 HydrophobicContact CG1-CD1 4.28Å; V559-I612 HydrophobicContact CG2-CD1 3.78Å; I612-S614 PolarHBondContact O-N 2.79Å; I612-S614 VanDerWaalsContact O-N 3.16Å; I612-I615 HydrophobicContact CB-CD1 4.34Å; I612-I615 HydrophobicContact CB-CG1 3.93Å; I612-I615 HydrophobicContact CD1-CD1 4.24Å; I612-I615 HydrophobicContact CG2-CD1 4.15Å; I612-I615 HydrophobicContact CG2-CG1 3.77Å; I612-I615 PolarHBondContact O-N 2.88Å; I612-D616 WeakPolarHBondContact O-CA 3.31Å; I612-D616 PolarHBondContact O-N 2.71Å; I612-M617 PolarHBondContact N-O 3.42Å
613	D	74.1	Confident	85.2	Confident	61 Å²	61	39.9 Å²	39.9	33%	0.326	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-30.1	-168	-64.8	-67.9	0	0	0	114.1	K550 Y551 I615	K550-D613 WeakPolarHBondContact CB-OD2 3.46Å; K550-D613 VanDerWaalsContact CD-OD1 3.24Å; K550-D613 WeakPolarHBondContact CD-OD1 3.32Å; K550-D613 WeakPolarHBondContact CE-OD1 3.48Å; K550-D613 WeakPolarHBondContact CG-OD1 3.3Å; K550-D613 IonicContact NZ-OD1 2.76Å; K550-D613 PolarHBondContact NZ-OD1 3.01Å; Y551-D613 PolarHBondContact N-OD2 2.6Å; Y551-D613 PolarHBondContact O-N 3.11Å; D613-I615 VanDerWaalsContact C-N 3.33Å; D613-I615 PolarHBondContact O-N 3.38Å
614	S	72.1	Confident	85.1	Confident	83 Å²	83	42 Å²	42	58%	0.58	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-8.7	-174.5	58.4	0	0	0	0	115.2	I612	I612-S614 PolarHBondContact O-N 2.79Å; I612-S614 VanDerWaalsContact O-N 3.16Å
615	I	73.5	Confident	84.7	Confident	87 Å²	87	44.6 Å²	44.6	45%	0.446	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-143.8	6.2	-177.3	54.7	171.7	0	0	0	112.8	V559 I612 D613 M617	V559-I615 HydrophobicContact CG1-CD1 3.57Å; V559-I615 HydrophobicContact CG2-CD1 4.24Å; I612-I615 HydrophobicContact CB-CD1 4.34Å; I612-I615 HydrophobicContact CB-CG1 3.93Å; I612-I615 HydrophobicContact CD1-CD1 4.24Å; I612-I615 HydrophobicContact CG2-CD1 4.15Å; I612-I615 HydrophobicContact CG2-CG1 3.77Å; I612-I615 PolarHBondContact O-N 2.88Å; D613-I615 VanDerWaalsContact C-N 3.33Å; D613-I615 PolarHBondContact O-N 3.38Å; I615-M617 HydrophobicContact CD1-CB 4Å; I615-M617 HydrophobicContact CD1-CG 4.25Å; I615-M617 HydrophobicContact CG1-CB 4.09Å; I615-M617 HydrophobicContact CG1-CG 4.35Å; I615-M617 WeakPolarHBondContact O-CG 3.49Å; I615-M617 PolarHBondContact O-N 2.7Å
616	D	76.3	Confident	84.2	Confident	96 Å²	96	48.4 Å²	48.4	51%	0.513	24%	0.235	S	C	.	.			trans	48.6	8.8	-172.1	-154.6	39.3	0	0	0	117.7	R611 I612	R611-D616 IonicContact CZ-OD1 3.8Å; R611-D616 IonicContact CZ-OD2 2.64Å; R611-D616 IonicContact NE-OD1 2.71Å; R611-D616 PolarHBondContact NE-OD1 3.16Å; R611-D616 IonicContact NE-OD2 2.7Å; R611-D616 IonicContact NH2-OD1 3.17Å; R611-D616 PolarHBondContact NH2-OD1 2.99Å; R611-D616 IonicContact NH2-OD2 3.7Å; R611-D616 PolarHBondContact NH2-OD2 3.07Å; I612-D616 WeakPolarHBondContact O-CA 3.31Å; I612-D616 PolarHBondContact O-N 2.71Å
617	M	81.7	Confident	83.3	Confident	56 Å²	56	47.9 Å²	47.9	28%	0.276	24%	0.238	S	C	.	.			trans	-79.2	160	-179.1	-68.8	-160.5	172.8	0	0	113.4	V559 I612 I615	V559-M617 HydrophobicContact CG1-CB 4.04Å; V559-M617 HydrophobicContact CG1-CG 4.48Å; V559-M617 HydrophobicContact CG1-SD 3.76Å; I612-M617 PolarHBondContact N-O 3.42Å; I615-M617 HydrophobicContact CD1-CB 4Å; I615-M617 HydrophobicContact CD1-CG 4.25Å; I615-M617 HydrophobicContact CG1-CB 4.09Å; I615-M617 HydrophobicContact CG1-CG 4.35Å; I615-M617 WeakPolarHBondContact O-CG 3.49Å; I615-M617 PolarHBondContact O-N 2.7Å
618	V	86.7	Confident	82.4	Confident	19 Å²	19	51.2 Å²	51.2	12%	0.115	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	142.1	167.9	-178.3	0	0	0	0	109	I560 K563 P565 V568 V609 V610	I560-V618 PolarHBondContact N-O 3.1Å; K563-V618 WeakPolarHBondContact O-CG2 3.4Å; P565-V618 HydrophobicContact CG-CG1 4.42Å; P565-V618 HydrophobicContact CG-CG2 3.77Å; V568-V618 HydrophobicContact CG2-CG1 4.21Å; V609-V618 HydrophobicContact CG1-CG1 3.42Å; V609-V618 VanDerWaalsContact CG1-CG1 3.42Å; V610-V618 WeakPolarHBondContact O-CA 3.41Å
619	G	88	Confident	81.5	Confident	0 Å²	0	49 Å²	49	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	163.1	173.6	0	0	0	0	0	113.1	S558 V609 V610	S558-G619 CarbonylContact O-C 3.52Å; S558-G619 WeakPolarHBondContact O-CA 3.44Å; V609-G619 CarbonylContact C-O 3.53Å; V609-G619 WeakPolarHBondContact CA-O 3.5Å; V610-G619 WeakPolarHBondContact CG2-O 3.32Å; V610-G619 PolarHBondContact N-O 3.22Å; V610-G619 PolarHBondContact O-N 3.12Å
620	V	89.7	Confident	81	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	104.9	176.1	162.6	0	0	0	0	109.6	V557 S558 I560 V568 L572 F607 V609 R622 L640	V557-V620 WeakPolarHBondContact CA-O 3.47Å; S558-V620 PolarHBondContact N-O 2.84Å; S558-V620 PolarHBondContact O-N 3.44Å; I560-V620 HydrophobicContact CD1-CB 4.05Å; I560-V620 HydrophobicContact CD1-CG2 3.44Å; I560-V620 VanDerWaalsContact CD1-CG2 3.44Å; V568-V620 HydrophobicContact CG1-CG2 3.49Å; V568-V620 VanDerWaalsContact CG1-CG2 3.49Å; L572-V620 HydrophobicContact CD1-CG1 4.31Å; L572-V620 HydrophobicContact CD1-CG2 3.85Å; F607-V620 HydrophobicContact CB-CG1 4.28Å; F607-V620 HydrophobicContact CD1-CG1 3.38Å; F607-V620 HydrophobicContact CE1-CG1 3.95Å; F607-V620 HydrophobicContact CG-CG1 4.11Å; V609-V620 HydrophobicContact CG2-CG2 4.2Å; V620-R622 HydrophobicContact CG1-CG 4.33Å; V620-R622 PolarHBondContact O-N 3.49Å; V620-L640 HydrophobicContact CG1-CD2 4.26Å
621	R	87	Confident	80.6	Confident	72 Å²	72	51.7 Å²	51.7	27%	0.272	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	115.9	173.8	-174.1	171.3	79.4	154.4	-1.9	109.5	Y551 V557 F607 E608 V610	Y551-R621 VanDerWaalsContact CZ-CD 3.49Å; Y551-R621 VanDerWaalsContact CZ-NH1 3.33Å; Y551-R621 WeakPolarHBondContact OH-CD 3.42Å; Y551-R621 PolarHBondContact OH-NH1 2.94Å; V557-R621 HydrophobicContact CG2-CB 4Å; V557-R621 HydrophobicContact CG2-CG 4.18Å; F607-R621 WeakPolarHBondContact CA-O 3.4Å; E608-R621 HydrophobicContact CB-CB 4.4Å; E608-R621 PolarHBondContact N-O 2.96Å; E608-R621 PolarHBondContact O-N 2.89Å; E608-R621 IonicContact OE2-CZ 2.69Å; E608-R621 VanDerWaalsContact OE2-CZ 3.29Å; E608-R621 IonicContact OE2-NE 2.85Å; E608-R621 PolarHBondContact OE2-NE 3.23Å; E608-R621 IonicContact OE2-NH2 3.73Å; E608-R621 PolarHBondContact OE2-NH2 2.83Å; V610-R621 HydrophobicContact CG1-CB 4.16Å; V610-R621 HydrophobicContact CG2-CB 4.46Å
622	R	87.5	Confident	80.5	Confident	51 Å²	51	46.9 Å²	46.9	19%	0.192	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	141.1	178.4	-63.9	170.8	-82	168.1	-1.3	111.4	N556 S558 F607 V620 Y632	N556-R622 PolarHBondContact O-N 3.44Å; N556-R622 VanDerWaalsContact O-N 3.08Å; S558-R622 PolarHBondContact OG-NH2 2.91Å; F607-R622 HydrophobicContact CD1-CG 4.46Å; F607-R622 HydrophobicContact CD2-CG 4.48Å; F607-R622 HydrophobicContact CE1-CG 4.04Å; F607-R622 HydrophobicContact CE2-CG 4.07Å; F607-R622 HydrophobicContact CZ-CG 3.82Å; V620-R622 HydrophobicContact CG1-CG 4.33Å; V620-R622 PolarHBondContact O-N 3.49Å; R622-Y632 WeakPolarHBondContact CB-OH 3.34Å; R622-Y632 PolarHBondContact O-OH 2.7Å
623	K	83.2	Confident	80.7	Confident	110 Å²	110	47.3 Å²	47.3	48%	0.478	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	126.5	177.2	-176.3	174.7	-177.1	178.4	0	113	V605 E606 L625 Y632	V605-K623 CarbonylContact C-O 3.49Å; V605-K623 WeakPolarHBondContact CA-O 3.46Å; E606-K623 HydrophobicContact CB-CB 4.37Å; E606-K623 PolarHBondContact N-O 2.9Å; E606-K623 PolarHBondContact O-N 3.27Å; K623-L625 HydrophobicContact CD-CD2 4.04Å; K623-L625 HydrophobicContact CG-CD2 4.18Å; K623-Y632 WeakPolarHBondContact CA-OH 3.43Å; K623-Y632 PolarHBondContact N-OH 3.17Å
624	R	83.3	Confident	81.3	Confident	47 Å²	47	48 Å²	48	18%	0.177	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	131.9	166.4	-169.4	164.1	57.5	111.6	0.5	109.3	E86 D89 G627 S629 Y632	E86-R624 IonicContact OE1-CZ 3.64Å; E86-R624 IonicContact OE1-NH1 3.71Å; E86-R624 PolarHBondContact OE1-NH1 3.15Å; E86-R624 IonicContact OE1-NH2 3.35Å; E86-R624 PolarHBondContact OE1-NH2 2.67Å; E86-R624 IonicContact OE2-CZ 3.88Å; E86-R624 IonicContact OE2-NH1 3.19Å; E86-R624 IonicContact OE2-NH2 3.61Å; E86-R624 PolarHBondContact OE2-NH2 2.67Å; D89-R624 VanDerWaalsContact CG-NH2 3.32Å; D89-R624 IonicContact OD1-CZ 3.42Å; D89-R624 IonicContact OD1-NE 3.44Å; D89-R624 PolarHBondContact OD1-NE 2.98Å; D89-R624 IonicContact OD1-NH2 3.36Å; D89-R624 PolarHBondContact OD1-NH2 3.13Å; D89-R624 VanDerWaalsContact OD1-NH2 3.17Å; D89-R624 IonicContact OD2-CZ 2.65Å; D89-R624 IonicContact OD2-NH2 2.7Å; D89-R624 PolarHBondContact OD2-NH2 3.46Å; R624-G627 PolarHBondContact NH1-O 2.91Å; R624-S629 VanDerWaalsContact CZ-OG 3.22Å; R624-S629 PolarHBondContact NH1-OG 2.9Å; R624-S629 PolarHBondContact NH2-OG 3.22Å; R624-Y632 HydrophobicContact CB-CD1 4.01Å; R624-Y632 HydrophobicContact CB-CD2 3.7Å; R624-Y632 HydrophobicContact CB-CE1 4.09Å; R624-Y632 HydrophobicContact CB-CE2 3.78Å; R624-Y632 HydrophobicContact CB-CG 3.81Å; R624-Y632 HydrophobicContact CG-CD1 4.41Å; R624-Y632 HydrophobicContact CG-CD2 4.07Å; R624-Y632 HydrophobicContact CG-CG 3.94Å; R624-Y632 VanDerWaalsContact N-CE2 3.28Å; R624-Y632 PolarHBondContact N-OH 3.14Å
625	L	81.6	Confident	82	Confident	67 Å²	67	44.8 Å²	44.8	35%	0.351	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	-32.2	173.7	-68.6	-168.3	0	0	0	113.3	R591 T604 E606 K623	R591-L625 HydrophobicContact CG-CD1 4.47Å; T604-L625 HydrophobicContact CG2-CB 4.01Å; T604-L625 HydrophobicContact CG2-CD1 4.03Å; T604-L625 WeakPolarHBondContact O-CB 3.44Å; T604-L625 PolarHBondContact O-N 2.84Å; E606-L625 HydrophobicContact CG-CD1 3.68Å; E606-L625 HydrophobicContact CG-CG 4.14Å; K623-L625 HydrophobicContact CD-CD2 4.04Å; K623-L625 HydrophobicContact CG-CD2 4.18Å
626	N	79.9	Confident	82.7	Confident	81 Å²	81	40.7 Å²	40.7	43%	0.433	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	154.3	175.1	-179.2	60	0	0	0	109	L603 T604	L603-N626 CarbonylContact C-O 3.48Å; L603-N626 WeakPolarHBondContact CA-O 3.26Å; L603-N626 WeakPolarHBondContact CD1-O 3.45Å; T604-N626 PolarHBondContact N-O 2.69Å; T604-N626 PolarHBondContact O-N 2.89Å
627	G	74	Confident	83.2	Confident	20 Å²	20	39.5 Å²	39.5	21%	0.206	19%	0.188	C	C	.	.	S	Bend	trans	107.6	169.4	177.4	0	0	0	0	0	113	Y602 R624	Y602-G627 WeakPolarHBondContact O-CA 3.41Å; R624-G627 PolarHBondContact NH1-O 2.91Å
628	D	72.4	Confident	83.5	Confident	69 Å²	69	39 Å²	39	37%	0.369	19%	0.187	S	C	.	.			trans	-68.7	163.2	179.3	74.9	90	0	0	0	111.9	W630 S631 Y632	D628-W630 PolarHBondContact OD1-N 3.44Å; D628-S631 VanDerWaalsContact CG-OG 3.27Å; D628-S631 WeakPolarHBondContact OD1-CB 3.47Å; D628-S631 PolarHBondContact OD1-N 2.93Å; D628-S631 PolarHBondContact OD1-OG 2.94Å; D628-S631 WeakPolarHBondContact OD2-CB 3.29Å; D628-S631 PolarHBondContact OD2-OG 3.37Å; D628-Y632 PolarHBondContact O-N 3.05Å
629	S	74.8	Confident	83.5	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-79.4	-34.8	-166.9	-106.3	0	0	0	0	111.8	E86 F88 R624 Y632 K633	E86-S629 PolarHBondContact OE2-OG 2.79Å; F88-S629 WeakPolarHBondContact CD1-OG 3.43Å; F88-S629 WeakPolarHBondContact CE1-O 3.24Å; F88-S629 VanDerWaalsContact CG-CB 3.45Å; F88-S629 WeakPolarHBondContact CG-OG 3.47Å; R624-S629 VanDerWaalsContact CZ-OG 3.22Å; R624-S629 PolarHBondContact NH1-OG 2.9Å; R624-S629 PolarHBondContact NH2-OG 3.22Å; S629-Y632 WeakPolarHBondContact O-CB 3.15Å; S629-Y632 PolarHBondContact O-N 2.86Å; S629-K633 PolarHBondContact O-N 3.41Å; S629-K633 VanDerWaalsContact O-N 3.09Å
630	W	80.1	Confident	83.4	Confident	29 Å²	29	38.7 Å²	38.7	11%	0.11	18%	0.184	C	C	.	.	H	α-helix	trans	-70.2	-44.9	174.7	-77.1	110.4	0	0	0	113.1	F88 Y167 T194 G198 R199 L200 D628 Y632 K633 R634	F88-W630 AromaticContact CE2-CD2 3.87Å; F88-W630 HydrophobicContact CE2-CD2 3.87Å; F88-W630 AromaticContact CE2-CE2 3.45Å; F88-W630 VanDerWaalsContact CE2-CE2 3.45Å; F88-W630 HydrophobicContact CE2-CE3 4.32Å; F88-W630 HydrophobicContact CE2-CG 4.35Å; F88-W630 AromaticContact CE2-CH2 3.99Å; F88-W630 HydrophobicContact CE2-CH2 3.99Å; F88-W630 AromaticContact CE2-CZ2 3.55Å; F88-W630 HydrophobicContact CE2-CZ2 3.55Å; F88-W630 HydrophobicContact CE2-CZ3 4.37Å; F88-W630 AromaticContact CE2-NE1 3.75Å; F88-W630 AromaticContact CZ-CD2 3.7Å; F88-W630 HydrophobicContact CZ-CD2 3.7Å; F88-W630 AromaticContact CZ-CE2 3.81Å; F88-W630 AromaticContact CZ-CE3 3.88Å; F88-W630 HydrophobicContact CZ-CE3 3.88Å; F88-W630 HydrophobicContact CZ-CG 4.14Å; F88-W630 HydrophobicContact CZ-CH2 4.18Å; F88-W630 HydrophobicContact CZ-CZ2 4.08Å; F88-W630 HydrophobicContact CZ-CZ3 4.1Å; Y167-W630 AromaticContact CZ-NE1 3.87Å; Y167-W630 PolarHBondContact OH-NE1 3.01Å; T194-W630 HydrophobicContact CG2-CH2 3.95Å; T194-W630 HydrophobicContact CG2-CZ2 3.54Å; G198-W630 WeakPolarHBondContact O-CH2 3.47Å; R199-W630 VanDerWaalsContact CA-CH2 3.46Å; L200-W630 HydrophobicContact CB-CZ2 4.5Å; L200-W630 HydrophobicContact CD1-CD2 4.11Å; L200-W630 HydrophobicContact CD1-CG 4.28Å; L200-W630 HydrophobicContact CD1-CZ2 4.39Å; L200-W630 HydrophobicContact CD2-CZ2 3.84Å; L200-W630 HydrophobicContact CG-CD2 4.14Å; L200-W630 HydrophobicContact CG-CH2 4.21Å; L200-W630 HydrophobicContact CG-CZ2 3.54Å; D628-W630 PolarHBondContact OD1-N 3.44Å; W630-Y632 PolarHBondContact O-N 3.2Å; W630-K633 HydrophobicContact CZ3-CD 4.17Å; W630-K633 PolarHBondContact O-N 3.4Å; W630-K633 VanDerWaalsContact O-N 3.15Å; W630-R634 WeakPolarHBondContact O-CB 3.49Å; W630-R634 PolarHBondContact O-N 2.89Å
631	S	81.6	Confident	83.2	Confident	26 Å²	26	44.6 Å²	44.6	18%	0.182	22%	0.216	C	C	.	.	H	α-helix	trans	-53.5	-40.4	171.5	-72.5	0	0	0	0	111.5	Y602 L603 D628 I635	Y602-S631 WeakPolarHBondContact CE2-OG 3.39Å; L603-S631 WeakPolarHBondContact CD2-O 3.49Å; D628-S631 VanDerWaalsContact CG-OG 3.27Å; D628-S631 WeakPolarHBondContact OD1-CB 3.47Å; D628-S631 PolarHBondContact OD1-N 2.93Å; D628-S631 PolarHBondContact OD1-OG 2.94Å; D628-S631 WeakPolarHBondContact OD2-CB 3.29Å; D628-S631 PolarHBondContact OD2-OG 3.37Å; S631-I635 WeakPolarHBondContact O-CB 3.41Å; S631-I635 PolarHBondContact O-N 3.44Å; S631-I635 VanDerWaalsContact O-N 3.09Å
632	Y	84.1	Confident	83.1	Confident	8 Å²	8	46 Å²	46	3%	0.031	23%	0.228	C	C	.	.	H	α-helix	trans	-64	-49.3	176.3	173.9	-115.3	0	0	0	112.5	V605 R622 K623 R624 D628 S629 W630 C636	V605-Y632 HydrophobicContact CG1-CD2 3.69Å; V605-Y632 HydrophobicContact CG1-CE2 4.1Å; R622-Y632 WeakPolarHBondContact CB-OH 3.34Å; R622-Y632 PolarHBondContact O-OH 2.7Å; K623-Y632 WeakPolarHBondContact CA-OH 3.43Å; K623-Y632 PolarHBondContact N-OH 3.17Å; R624-Y632 HydrophobicContact CB-CD1 4.01Å; R624-Y632 HydrophobicContact CB-CD2 3.7Å; R624-Y632 HydrophobicContact CB-CE1 4.09Å; R624-Y632 HydrophobicContact CB-CE2 3.78Å; R624-Y632 HydrophobicContact CB-CG 3.81Å; R624-Y632 HydrophobicContact CG-CD1 4.41Å; R624-Y632 HydrophobicContact CG-CD2 4.07Å; R624-Y632 HydrophobicContact CG-CG 3.94Å; R624-Y632 VanDerWaalsContact N-CE2 3.28Å; R624-Y632 PolarHBondContact N-OH 3.14Å; D628-Y632 PolarHBondContact O-N 3.05Å; S629-Y632 WeakPolarHBondContact O-CB 3.15Å; S629-Y632 PolarHBondContact O-N 2.86Å; W630-Y632 PolarHBondContact O-N 3.2Å; Y632-C636 WeakPolarHBondContact CE2-SG 3.5Å; Y632-C636 WeakPolarHBondContact O-CB 3.42Å; Y632-C636 PolarHBondContact O-N 3.13Å; Y632-C636 PolarHBondContact O-SG 3.47Å
633	K	83.8	Confident	82.9	Confident	12 Å²	12	43.9 Å²	43.9	5%	0.052	22%	0.221	C	C	.	.	H	α-helix	trans	-60.9	-53.8	178.1	177.4	168.3	171.9	178.5	0	111	F88 V92 D95 G198 S629 W630 I635 C636 E637	F88-K633 HydrophobicContact CE1-CB 4.49Å; V92-K633 HydrophobicContact CG1-CB 4.42Å; V92-K633 HydrophobicContact CG1-CD 4.48Å; V92-K633 HydrophobicContact CG1-CG 4.45Å; V92-K633 HydrophobicContact CG2-CB 4.15Å; V92-K633 HydrophobicContact CG2-CD 4.21Å; D95-K633 IonicContact OD1-NZ 2.72Å; D95-K633 PolarHBondContact OD1-NZ 2.85Å; G198-K633 PolarHBondContact O-NZ 3.18Å; S629-K633 PolarHBondContact O-N 3.41Å; S629-K633 VanDerWaalsContact O-N 3.09Å; W630-K633 HydrophobicContact CZ3-CD 4.17Å; W630-K633 PolarHBondContact O-N 3.4Å; W630-K633 VanDerWaalsContact O-N 3.15Å; K633-I635 PolarHBondContact O-N 2.93Å; K633-C636 WeakPolarHBondContact O-CA 3.37Å; K633-C636 WeakPolarHBondContact O-CB 3.44Å; K633-C636 PolarHBondContact O-N 2.94Å; K633-E637 WeakPolarHBondContact CE-OE1 3.29Å; K633-E637 WeakPolarHBondContact CE-OE2 3.48Å; K633-E637 HydrophobicContact CG-CG 4.33Å; K633-E637 WeakPolarHBondContact CG-OE2 3.44Å; K633-E637 IonicContact NZ-OE1 3.24Å; K633-E637 PolarHBondContact NZ-OE1 3.07Å; K633-E637 WeakPolarHBondContact O-CG 3.16Å; K633-E637 PolarHBondContact O-N 3.24Å
634	R	85.5	Confident	82.8	Confident	76 Å²	76	45 Å²	45	29%	0.287	23%	0.233	S	C	.	.	H	α-helix	trans	-55.4	-49.3	-178.1	-168.4	177.7	-61.4	178.2	7.1	112	D203 D204 D205 W630 C636 E637 D638	D203-R634 IonicContact OD1-CZ 2.69Å; D203-R634 IonicContact OD1-NH2 3.68Å; D203-R634 PolarHBondContact OD1-NH2 3.31Å; D203-R634 IonicContact OD2-CZ 2.64Å; D203-R634 IonicContact OD2-NH2 3.17Å; D203-R634 PolarHBondContact OD2-NH2 3.01Å; D204-R634 PolarHBondContact O-NH1 3.36Å; D204-R634 VanDerWaalsContact O-NH1 3.16Å; D205-R634 IonicContact OD1-CZ 2.71Å; D205-R634 IonicContact OD1-NH1 2.64Å; D205-R634 PolarHBondContact OD1-NH1 3.35Å; W630-R634 WeakPolarHBondContact O-CB 3.49Å; W630-R634 PolarHBondContact O-N 2.89Å; R634-C636 VanDerWaalsContact C-N 3.31Å; R634-C636 PolarHBondContact O-N 2.94Å; R634-E637 PolarHBondContact O-N 3.43Å; R634-D638 VanDerWaalsContact O-CB 3.25Å; R634-D638 WeakPolarHBondContact O-CB 3.46Å; R634-D638 PolarHBondContact O-N 3.42Å
635	I	88	Confident	82.2	Confident	14 Å²	14	44.4 Å²	44.4	7%	0.072	23%	0.233	C	C	.	.	H	α-helix	trans	-67.4	-29.7	177.3	-79.3	178.2	0	0	0	112.5	F576 V581 A594 Y602 L603 S631 K633 V639	F576-I635 HydrophobicContact CE1-CG2 4.3Å; V581-I635 HydrophobicContact CG2-CD1 4.46Å; A594-I635 HydrophobicContact CB-CD1 3.53Å; Y602-I635 HydrophobicContact CE2-CD1 4.45Å; L603-I635 HydrophobicContact CD2-CB 3.93Å; L603-I635 HydrophobicContact CD2-CD1 3.7Å; L603-I635 HydrophobicContact CD2-CG1 4.29Å; L603-I635 HydrophobicContact CD2-CG2 4.1Å; S631-I635 WeakPolarHBondContact O-CB 3.41Å; S631-I635 PolarHBondContact O-N 3.44Å; S631-I635 VanDerWaalsContact O-N 3.09Å; K633-I635 PolarHBondContact O-N 2.93Å; I635-V639 HydrophobicContact CG2-CG2 4.29Å; I635-V639 VanDerWaalsContact O-CB 3.31Å; I635-V639 WeakPolarHBondContact O-CB 3.12Å; I635-V639 WeakPolarHBondContact O-CG2 3.12Å; I635-V639 PolarHBondContact O-N 3.3Å; I635-V639 VanDerWaalsContact O-N 3.11Å
636	C	88.1	Confident	82.2	Confident	2 Å²	2	43.3 Å²	43.3	1%	0.014	23%	0.227	C	C	.	.	H	α-helix	trans	-71.4	-42.5	176	-72.6	0	0	0	0	113	F607 Y632 K633 R634 L640	F607-C636 HydrophobicContact CZ-CB 4.14Å; Y632-C636 WeakPolarHBondContact CE2-SG 3.5Å; Y632-C636 WeakPolarHBondContact O-CB 3.42Å; Y632-C636 PolarHBondContact O-N 3.13Å; Y632-C636 PolarHBondContact O-SG 3.47Å; K633-C636 WeakPolarHBondContact O-CA 3.37Å; K633-C636 WeakPolarHBondContact O-CB 3.44Å; K633-C636 PolarHBondContact O-N 2.94Å; R634-C636 VanDerWaalsContact C-N 3.31Å; R634-C636 PolarHBondContact O-N 2.94Å; C636-L640 WeakPolarHBondContact O-CB 3.43Å; C636-L640 VanDerWaalsContact O-CG 3.29Å; C636-L640 WeakPolarHBondContact O-CG 3.16Å; C636-L640 PolarHBondContact O-N 3.47Å; C636-L640 VanDerWaalsContact O-N 3.14Å
637	E	86.5	Confident	82.4	Confident	71 Å²	71	41.3 Å²	41.3	33%	0.332	22%	0.216	S	C	.	.	H	α-helix	trans	-65.8	-49	176	-66.1	170.1	130.2	0	0	110.5	K633 R634 V639 L640 N641	K633-E637 WeakPolarHBondContact CE-OE1 3.29Å; K633-E637 WeakPolarHBondContact CE-OE2 3.48Å; K633-E637 HydrophobicContact CG-CG 4.33Å; K633-E637 WeakPolarHBondContact CG-OE2 3.44Å; K633-E637 IonicContact NZ-OE1 3.24Å; K633-E637 PolarHBondContact NZ-OE1 3.07Å; K633-E637 WeakPolarHBondContact O-CG 3.16Å; K633-E637 PolarHBondContact O-N 3.24Å; R634-E637 PolarHBondContact O-N 3.43Å; E637-V639 VanDerWaalsContact C-N 3.33Å; E637-V639 PolarHBondContact O-N 2.97Å; E637-L640 PolarHBondContact O-N 2.73Å; E637-N641 VanDerWaalsContact O-CB 3.26Å; E637-N641 WeakPolarHBondContact O-CB 3.41Å; E637-N641 PolarHBondContact O-N 3.31Å; E637-N641 PolarHBondContact O-ND2 2.88Å
638	D	86.9	Confident	82.8	Confident	46 Å²	46	42.5 Å²	42.5	25%	0.246	22%	0.217	C	C	.	.	H	α-helix	trans	-48.9	-50.6	173.8	-91.9	-37.5	0	0	0	113	K579 R634 L642	K579-D638 WeakPolarHBondContact CE-OD1 3.32Å; K579-D638 IonicContact NZ-OD1 3.74Å; K579-D638 PolarHBondContact NZ-OD1 3.06Å; K579-D638 IonicContact NZ-OD2 2.89Å; K579-D638 PolarHBondContact NZ-OD2 3.41Å; R634-D638 VanDerWaalsContact O-CB 3.25Å; R634-D638 WeakPolarHBondContact O-CB 3.46Å; R634-D638 PolarHBondContact O-N 3.42Å; D638-L642 VanDerWaalsContact O-CB 3.27Å; D638-L642 WeakPolarHBondContact O-CB 3.4Å; D638-L642 WeakPolarHBondContact O-CG 3.44Å; D638-L642 PolarHBondContact O-N 3.3Å
639	V	87.7	Confident	83.4	Confident	1 Å²	1	40.9 Å²	40.9	1%	0.006	21%	0.208	C	C	.	.	H	α-helix	trans	-73.8	-34.3	-174	168.9	0	0	0	0	111.8	L572 V575 F576 F607 I635 E637 A643	L572-V639 HydrophobicContact CD2-CG1 3.73Å; V575-V639 HydrophobicContact CG1-CB 4.23Å; V575-V639 HydrophobicContact CG1-CG1 4.07Å; V575-V639 HydrophobicContact CG1-CG2 4.26Å; F576-V639 HydrophobicContact CD1-CG2 3.84Å; F576-V639 HydrophobicContact CD2-CG1 4.41Å; F576-V639 HydrophobicContact CE1-CG1 4.3Å; F576-V639 HydrophobicContact CE1-CG2 3.74Å; F576-V639 HydrophobicContact CE2-CG1 4.12Å; F576-V639 HydrophobicContact CZ-CG1 4.07Å; F576-V639 HydrophobicContact CZ-CG2 4.31Å; F607-V639 HydrophobicContact CD1-CG1 4.42Å; F607-V639 HydrophobicContact CE1-CB 4.4Å; F607-V639 HydrophobicContact CE1-CG1 3.87Å; F607-V639 HydrophobicContact CZ-CB 4.41Å; F607-V639 HydrophobicContact CZ-CG1 4.27Å; I635-V639 HydrophobicContact CG2-CG2 4.29Å; I635-V639 VanDerWaalsContact O-CB 3.31Å; I635-V639 WeakPolarHBondContact O-CB 3.12Å; I635-V639 WeakPolarHBondContact O-CG2 3.12Å; I635-V639 PolarHBondContact O-N 3.3Å; I635-V639 VanDerWaalsContact O-N 3.11Å; E637-V639 VanDerWaalsContact C-N 3.33Å; E637-V639 PolarHBondContact O-N 2.97Å; V639-A643 WeakPolarHBondContact O-CB 3.5Å; V639-A643 PolarHBondContact O-N 2.6Å; V639-A643 VanDerWaalsContact O-N 3.16Å
640	L	86.1	Confident	84	Confident	10 Å²	10	43.5 Å²	43.5	5%	0.052	22%	0.221	C	C	.	.	H	α-helix	trans	-71.1	-49.2	174.9	-73.5	172.8	0	0	0	111.4	S558 F607 V620 C636 E637 L642 A643 N644 L645	S558-L640 WeakPolarHBondContact OG-CD1 3.5Å; F607-L640 HydrophobicContact CE1-CD2 4.26Å; F607-L640 HydrophobicContact CE1-CG 4.29Å; V620-L640 HydrophobicContact CG1-CD2 4.26Å; C636-L640 WeakPolarHBondContact O-CB 3.43Å; C636-L640 VanDerWaalsContact O-CG 3.29Å; C636-L640 WeakPolarHBondContact O-CG 3.16Å; C636-L640 PolarHBondContact O-N 3.47Å; C636-L640 VanDerWaalsContact O-N 3.14Å; E637-L640 PolarHBondContact O-N 2.73Å; L640-L642 PolarHBondContact O-N 3.43Å; L640-A643 CarbonylContact O-C 3.54Å; L640-A643 PolarHBondContact O-N 3.26Å; L640-N644 PolarHBondContact O-N 3.32Å; L640-L645 HydrophobicContact CD2-CB 3.88Å; L640-L645 PolarHBondContact O-N 3.46Å; L640-L645 VanDerWaalsContact O-N 3.08Å
641	N	86.1	Confident	84.2	Confident	125 Å²	125	44.5 Å²	44.5	67%	0.668	23%	0.228	S	C	*	.	H	α-helix	trans	-58.9	-45.9	179.1	-68.5	-20	0	0	0	111.7	E637 A643 N644	E637-N641 VanDerWaalsContact O-CB 3.26Å; E637-N641 WeakPolarHBondContact O-CB 3.41Å; E637-N641 PolarHBondContact O-N 3.31Å; E637-N641 PolarHBondContact O-ND2 2.88Å; N641-A643 VanDerWaalsContact C-N 3.31Å; N641-A643 PolarHBondContact O-N 3.27Å; N641-N644 PolarHBondContact O-N 2.94Å; N641-N644 VanDerWaalsContact O-N 3.16Å
642	L	85	Confident	84.4	Confident	100 Å²	100	45.8 Å²	45.8	52%	0.524	23%	0.232	S	C	.	.	H	α-helix	trans	-70.6	-23.1	176.7	-74.5	171.1	0	0	0	113.9	V575 K579 D638 L640 N644	V575-L642 HydrophobicContact CG1-CB 3.54Å; V575-L642 HydrophobicContact CG1-CD1 4.26Å; V575-L642 HydrophobicContact CG2-CB 4.24Å; K579-L642 HydrophobicContact CD-CD1 4.27Å; K579-L642 HydrophobicContact CG-CD1 3.9Å; D638-L642 VanDerWaalsContact O-CB 3.27Å; D638-L642 WeakPolarHBondContact O-CB 3.4Å; D638-L642 WeakPolarHBondContact O-CG 3.44Å; D638-L642 PolarHBondContact O-N 3.3Å; L640-L642 PolarHBondContact O-N 3.43Å; L642-N644 VanDerWaalsContact C-N 3.34Å
643	A	82	Confident	84.5	Confident	7 Å²	7	48.7 Å²	48.7	6%	0.058	25%	0.247	C	C	.	.	H	α-helix	trans	-85.5	-10.7	172.6	0	0	0	0	0	112.9	T571 V575 V639 L640 N641 L645	T571-A643 HydrophobicContact CG2-CB 3.62Å; V575-A643 HydrophobicContact CG2-CB 4.08Å; V639-A643 WeakPolarHBondContact O-CB 3.5Å; V639-A643 PolarHBondContact O-N 2.6Å; V639-A643 VanDerWaalsContact O-N 3.16Å; L640-A643 CarbonylContact O-C 3.54Å; L640-A643 PolarHBondContact O-N 3.26Å; N641-A643 VanDerWaalsContact C-N 3.31Å; N641-A643 PolarHBondContact O-N 3.27Å; A643-L645 HydrophobicContact CB-CB 4.2Å; A643-L645 HydrophobicContact CB-CD1 3.47Å; A643-L645 VanDerWaalsContact CB-CD1 3.47Å; A643-L645 HydrophobicContact CB-CG 3.54Å
644	N	80.7	Confident	84.5	Confident	135 Å²	135	51.8 Å²	51.8	72%	0.722	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	57.1	-170.3	-161.7	14.1	0	0	0	110.6	K563 L640 N641 L642	K563-N644 PolarHBondContact NZ-O 2.91Å; L640-N644 PolarHBondContact O-N 3.32Å; N641-N644 PolarHBondContact O-N 2.94Å; N641-N644 VanDerWaalsContact O-N 3.16Å; L642-N644 VanDerWaalsContact C-N 3.34Å
645	L	71.6	Confident	84.4	Confident	34 Å²	34	49.5 Å²	49.5	18%	0.178	26%	0.261	C	S	.	.			trans	-133.9	0	-171.4	-64.7	-178.4	0	0	0	113.1	I560 K563 V568 L572 L640 A643	I560-L645 HydrophobicContact CD1-CB 4.25Å; I560-L645 HydrophobicContact CD1-CD1 4.25Å; I560-L645 HydrophobicContact CD1-CD2 3.91Å; I560-L645 HydrophobicContact CD1-CG 4.37Å; I560-L645 HydrophobicContact CG1-CB 4.12Å; I560-L645 HydrophobicContact CG1-CD2 3.98Å; I560-L645 HydrophobicContact CG2-CD2 3.68Å; K563-L645 HydrophobicContact CD-CD2 3.63Å; V568-L645 HydrophobicContact CG1-CD1 4Å; V568-L645 HydrophobicContact CG2-CD2 4.45Å; L572-L645 HydrophobicContact CD2-CD1 3.94Å; L572-L645 HydrophobicContact CG-CD1 4.1Å; L640-L645 HydrophobicContact CD2-CB 3.88Å; L640-L645 PolarHBondContact O-N 3.46Å; L640-L645 VanDerWaalsContact O-N 3.08Å; A643-L645 HydrophobicContact CB-CB 4.2Å; A643-L645 HydrophobicContact CB-CD1 3.47Å; A643-L645 VanDerWaalsContact CB-CD1 3.47Å; A643-L645 HydrophobicContact CB-CG 3.54Å

Retrieved 645 of 645 residues in 98.5 ms (Link to these results)

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