A0A087YCY7_POEFO Loading...

Phosphoinositide phospholipase C

AlphaFold DB , UniProt , Accession A0A087YCY7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 753 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	27.4	Very low	35.6	Very low	246 Å²	246	120.6 Å²	120.6	100%	1.212	60%	0.599	S	S	*	*				0	115.7	0	-69.1	171.8	175	0	0	104.9
2	E	26.3	Very low	37	Very low	168 Å²	168	116.7 Å²	116.7	79%	0.785	61%	0.612	S	S	*	*			cis	-129.4	128	9.7	-69	170.7	137.6	0	0	108.3	N4	E2-N4 PolarHBondContact O-N 2.63Å
3	K	30.8	Very low	38.5	Very low	205 Å²	205	109.5 Å²	109.5	89%	0.891	57%	0.574	S	S	*	*	S	Bend	trans	-79.9	-1.9	178.4	-88.9	-175.1	170.9	-172.6	0	113.9
4	N	33.9	Very low	39.8	Very low	126 Å²	126	109.6 Å²	109.6	67%	0.674	57%	0.57	S	S	*	*	S	Bend	trans	-121.2	-3.3	-172.2	-68.4	1.4	0	0	0	114	E2	E2-N4 PolarHBondContact O-N 2.63Å
5	G	29.6	Very low	41.4	Very low	20 Å²	20	106.6 Å²	106.6	21%	0.206	58%	0.576	C	S	.	*	H	α-helix	trans	-81.2	-17.9	-167.9	0	0	0	0	0	115.9
6	I	36.6	Very low	43.7	Very low	133 Å²	133	101.8 Å²	101.8	68%	0.682	55%	0.55	S	S	*	*	H	α-helix	trans	-92.1	-38.7	-179	-58.9	176.2	0	0	0	110.7	S8 L10	I6-S8 PolarHBondContact O-N 2.66Å; I6-L10 HydrophobicContact CG2-CD1 4.17Å; I6-L10 WeakPolarHBondContact O-CD1 3.37Å; I6-L10 WeakPolarHBondContact O-CG 3.38Å
7	E	38	Very low	46	Very low	116 Å²	116	101.6 Å²	101.6	54%	0.542	56%	0.555	S	S	.	*	H	α-helix	trans	-71.3	-29.3	-179.3	-69.5	-169.6	143.1	0	0	113.3	R148	E7-R148 IonicContact OE1-CZ 3.65Å; E7-R148 IonicContact OE1-NH1 3.76Å; E7-R148 PolarHBondContact OE1-NH1 3.43Å
8	S	36.7	Very low	48.2	Very low	47 Å²	47	96.7 Å²	96.7	33%	0.329	53%	0.528	S	S	.	.	H	α-helix	trans	-74.1	-42.9	-179.3	76.3	0	0	0	0	111.3	I6 L10 E14	I6-S8 PolarHBondContact O-N 2.66Å; S8-L10 VanDerWaalsContact C-N 3.28Å; S8-L10 PolarHBondContact O-N 3.09Å; S8-E14 WeakPolarHBondContact CA-OE1 3.49Å; S8-E14 WeakPolarHBondContact CB-OE1 3.41Å; S8-E14 WeakPolarHBondContact O-CG 3.12Å; S8-E14 PolarHBondContact OG-OE1 2.86Å
9	K	37.5	Very low	50	Low	167 Å²	167	92 Å²	92	73%	0.726	50%	0.503	S	S	*	.	H	α-helix	trans	-73.2	-11.9	-169.5	-79.1	-179.1	174.9	176.9	0	115.2	E14	K9-E14 VanDerWaalsContact CA-OE1 3.3Å; K9-E14 WeakPolarHBondContact CA-OE1 3.14Å; K9-E14 PolarHBondContact N-OE1 2.75Å
10	L	44.3	Very low	51.7	Low	70 Å²	70	92.7 Å²	92.7	37%	0.366	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-18.2	-164.4	-80.4	163.9	0	0	0	115.8	I6 S8	I6-L10 HydrophobicContact CG2-CD1 4.17Å; I6-L10 WeakPolarHBondContact O-CD1 3.37Å; I6-L10 WeakPolarHBondContact O-CG 3.38Å; S8-L10 VanDerWaalsContact C-N 3.28Å; S8-L10 PolarHBondContact O-N 3.09Å
11	T	50.2	Low	53.5	Low	29 Å²	29	90.1 Å²	90.1	18%	0.178	49%	0.486	C	S	.	.	S	Bend	trans	-103.4	-13.6	178.6	57.5	0	0	0	0	113.6	M13 C48	T11-M13 WeakPolarHBondContact O-CG 3.44Å; T11-M13 PolarHBondContact O-N 3.48Å; T11-M13 VanDerWaalsContact O-N 3.16Å; T11-M13 PolarHBondContact OG1-N 3.16Å; T11-C48 HydrophobicContact CG2-CB 4.21Å
12	G	52.3	Low	56.5	Low	73 Å²	73	78.4 Å²	78.4	75%	0.753	43%	0.429	S	S	*	.	S	Bend	trans	62	12.4	-169.6	0	0	0	0	0	113.7
13	M	57.3	Low	59.3	Low	23 Å²	23	71.8 Å²	71.8	11%	0.113	40%	0.399	C	S	.	.			trans	-116.5	26.6	-175.1	-64.6	-179.6	70.1	0	0	112	T11 G15 D16 L19 K125	T11-M13 WeakPolarHBondContact O-CG 3.44Å; T11-M13 PolarHBondContact O-N 3.48Å; T11-M13 VanDerWaalsContact O-N 3.16Å; T11-M13 PolarHBondContact OG1-N 3.16Å; M13-G15 PolarHBondContact O-N 3.26Å; M13-D16 HydrophobicContact CB-CB 4.22Å; M13-D16 HydrophobicContact CE-CB 4.32Å; M13-D16 WeakPolarHBondContact O-CB 3.23Å; M13-D16 PolarHBondContact O-N 3.42Å; M13-D16 VanDerWaalsContact O-N 3.09Å; M13-L19 HydrophobicContact CB-CD2 3.84Å; M13-L19 HydrophobicContact CE-CB 4.33Å; M13-K125 HydrophobicContact CE-CB 3.43Å; M13-K125 VanDerWaalsContact CE-CB 3.43Å; M13-K125 HydrophobicContact CE-CD 3.78Å; M13-K125 HydrophobicContact CE-CG 4.17Å; M13-K125 HydrophobicContact SD-CB 4.2Å
14	E	55.9	Low	62.1	Low	111 Å²	111	69 Å²	69	52%	0.519	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	124.8	176.9	-66.1	178.3	167.2	0	0	110.7	S8 K9 D16	S8-E14 WeakPolarHBondContact CA-OE1 3.49Å; S8-E14 WeakPolarHBondContact CB-OE1 3.41Å; S8-E14 WeakPolarHBondContact O-CG 3.12Å; S8-E14 PolarHBondContact OG-OE1 2.86Å; K9-E14 VanDerWaalsContact CA-OE1 3.3Å; K9-E14 WeakPolarHBondContact CA-OE1 3.14Å; K9-E14 PolarHBondContact N-OE1 2.75Å; E14-D16 VanDerWaalsContact C-N 3.28Å; E14-D16 PolarHBondContact O-N 3.4Å
15	G	63.6	Low	64.9	Low	65 Å²	65	63.6 Å²	63.6	67%	0.67	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.2	5.9	-179.8	0	0	0	0	0	115.6	M13 P17	M13-G15 PolarHBondContact O-N 3.26Å; G15-P17 WeakPolarHBondContact O-CD 3.38Å
16	D	77.9	Confident	67.9	Low	30 Å²	30	63.2 Å²	63.2	16%	0.16	36%	0.359	C	S	.	.			trans	-65.4	122.5	175.7	-174.8	-68.6	0	0	0	110.6	M13 E14 D18 L19 Q20 K125	M13-D16 HydrophobicContact CB-CB 4.22Å; M13-D16 HydrophobicContact CE-CB 4.32Å; M13-D16 WeakPolarHBondContact O-CB 3.23Å; M13-D16 PolarHBondContact O-N 3.42Å; M13-D16 VanDerWaalsContact O-N 3.09Å; E14-D16 VanDerWaalsContact C-N 3.28Å; E14-D16 PolarHBondContact O-N 3.4Å; D16-D18 VanDerWaalsContact C-N 3.34Å; D16-D18 PolarHBondContact O-N 3.47Å; D16-D18 WeakPolarHBondContact OD1-CA 3.18Å; D16-D18 VanDerWaalsContact OD1-CB 3.31Å; D16-D18 WeakPolarHBondContact OD1-CB 3.43Å; D16-D18 PolarHBondContact OD1-N 3.35Å; D16-L19 HydrophobicContact CB-CB 4.02Å; D16-L19 PolarHBondContact O-N 3.28Å; D16-L19 PolarHBondContact OD1-N 2.86Å; D16-Q20 PolarHBondContact O-N 2.64Å; D16-Q20 VanDerWaalsContact O-N 3.1Å; D16-K125 IonicContact OD1-NZ 3.98Å; D16-K125 PolarHBondContact OD1-NZ 3.44Å; D16-K125 IonicContact OD2-NZ 3.09Å; D16-K125 PolarHBondContact OD2-NZ 2.96Å
17	P	82.9	Confident	70.7	Confident	98 Å²	98	61.3 Å²	61.3	64%	0.636	35%	0.35	S	S	*	.	H	α-helix	trans	-68.5	-30.4	-175.4	26.4	-34.2	0	0	0	113	G15 F21	G15-P17 WeakPolarHBondContact O-CD 3.38Å; P17-F21 WeakPolarHBondContact O-CB 3.29Å; P17-F21 PolarHBondContact O-N 3.27Å
18	D	86.4	Confident	73.4	Confident	13 Å²	13	55.8 Å²	55.8	7%	0.07	32%	0.324	C	S	.	.	H	α-helix	trans	-71.1	-37.3	176.3	-60.6	-49.9	0	0	0	109.9	D16 F21 L22 R121 K125	D16-D18 VanDerWaalsContact C-N 3.34Å; D16-D18 PolarHBondContact O-N 3.47Å; D16-D18 WeakPolarHBondContact OD1-CA 3.18Å; D16-D18 VanDerWaalsContact OD1-CB 3.31Å; D16-D18 WeakPolarHBondContact OD1-CB 3.43Å; D16-D18 PolarHBondContact OD1-N 3.35Å; D18-F21 WeakPolarHBondContact O-CB 3.38Å; D18-F21 PolarHBondContact O-N 3.23Å; D18-L22 WeakPolarHBondContact O-CG 3.23Å; D18-L22 PolarHBondContact O-N 3.03Å; D18-R121 IonicContact OD1-CZ 2.79Å; D18-R121 IonicContact OD1-NE 2.88Å; D18-R121 PolarHBondContact OD1-NE 3.43Å; D18-R121 IonicContact OD1-NH2 3.78Å; D18-R121 PolarHBondContact OD1-NH2 2.93Å; D18-R121 IonicContact OD2-NE 3.87Å; D18-R121 PolarHBondContact OD2-NE 3.09Å; D18-K125 IonicContact OD2-NZ 3.74Å; D18-K125 PolarHBondContact OD2-NZ 3Å
19	L	82.1	Confident	76.1	Confident	8 Å²	8	56 Å²	56	4%	0.042	32%	0.322	C	S	.	.	H	α-helix	trans	-65.4	-45.2	175.8	-176.3	64.9	0	0	0	112	M13 D16 F21 L22 L23 L44 L126	M13-L19 HydrophobicContact CB-CD2 3.84Å; M13-L19 HydrophobicContact CE-CB 4.33Å; D16-L19 HydrophobicContact CB-CB 4.02Å; D16-L19 PolarHBondContact O-N 3.28Å; D16-L19 PolarHBondContact OD1-N 2.86Å; L19-F21 VanDerWaalsContact C-N 3.29Å; L19-F21 PolarHBondContact O-N 3.24Å; L19-L22 PolarHBondContact O-N 2.98Å; L19-L23 HydrophobicContact CG-CD1 4.33Å; L19-L23 WeakPolarHBondContact O-CG 3.38Å; L19-L23 PolarHBondContact O-N 3.39Å; L19-L44 HydrophobicContact CD1-CD2 3.54Å; L19-L126 HydrophobicContact CD1-CD1 4.25Å; L19-L126 HydrophobicContact CD1-CD2 3.76Å; L19-L126 HydrophobicContact CD1-CG 4.2Å
20	Q	83.8	Confident	78.8	Confident	105 Å²	105	50 Å²	50	49%	0.491	30%	0.295	S	S	.	.	H	α-helix	trans	-61.6	-39.8	176.2	-68.8	-59.4	-33.8	0	0	111.6	D16 L22 L23 Q24	D16-Q20 PolarHBondContact O-N 2.64Å; D16-Q20 VanDerWaalsContact O-N 3.1Å; Q20-L22 PolarHBondContact O-N 2.96Å; Q20-L23 PolarHBondContact O-N 3.34Å; Q20-Q24 PolarHBondContact O-N 2.9Å
21	F	90.6	Very high	81	Confident	39 Å²	39	46.7 Å²	46.7	17%	0.171	28%	0.278	C	S	.	.	H	α-helix	trans	-59.1	-45.3	173.4	174.5	-95.5	0	0	0	112.1	P17 D18 L19 L23 Q24 G25 E115 W119	P17-F21 WeakPolarHBondContact O-CB 3.29Å; P17-F21 PolarHBondContact O-N 3.27Å; D18-F21 WeakPolarHBondContact O-CB 3.38Å; D18-F21 PolarHBondContact O-N 3.23Å; L19-F21 VanDerWaalsContact C-N 3.29Å; L19-F21 PolarHBondContact O-N 3.24Å; F21-L23 PolarHBondContact O-N 3.35Å; F21-Q24 PolarHBondContact O-N 2.93Å; F21-G25 PolarHBondContact O-N 3.05Å; F21-E115 HydrophobicContact CE2-CG 4.03Å; F21-E115 HydrophobicContact CZ-CB 4.04Å; F21-E115 HydrophobicContact CZ-CG 3.86Å; F21-W119 AromaticContact CE1-CD1 3.48Å; F21-W119 VanDerWaalsContact CE1-CD1 3.48Å; F21-W119 HydrophobicContact CE1-CD2 4.16Å; F21-W119 AromaticContact CE1-CE2 3.87Å; F21-W119 AromaticContact CE1-CG 3.9Å; F21-W119 HydrophobicContact CE1-CG 3.9Å; F21-W119 AromaticContact CE1-NE1 3.43Å; F21-W119 AromaticContact CZ-CD1 3.86Å; F21-W119 AromaticContact CZ-NE1 3.65Å
22	L	90.4	Very high	82.7	Confident	0 Å²	0	50 Å²	50	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-63.1	-39.5	175.9	-68.9	-176.4	0	0	0	113	D18 L19 Q20 Q24 G25 L44 W119 G122 L123 L126	D18-L22 WeakPolarHBondContact O-CG 3.23Å; D18-L22 PolarHBondContact O-N 3.03Å; L19-L22 PolarHBondContact O-N 2.98Å; Q20-L22 PolarHBondContact O-N 2.96Å; L22-Q24 VanDerWaalsContact C-N 3.33Å; L22-G25 PolarHBondContact O-N 3.08Å; L22-L44 HydrophobicContact CB-CB 3.81Å; L22-L44 HydrophobicContact CB-CD2 4.04Å; L22-L44 HydrophobicContact CD1-CD2 4.43Å; L22-L44 WeakPolarHBondContact O-CB 3.41Å; L22-L44 PolarHBondContact O-N 3Å; L22-W119 HydrophobicContact CD2-CD2 3.77Å; L22-W119 HydrophobicContact CD2-CE3 3.12Å; L22-W119 HydrophobicContact CD2-CH2 4.04Å; L22-W119 HydrophobicContact CD2-CZ3 3.29Å; L22-G122 VanDerWaalsContact CD1-C 3.42Å; L22-L123 HydrophobicContact CD1-CD2 4.29Å; L22-L123 HydrophobicContact CD1-CG 4.33Å; L22-L123 HydrophobicContact CD2-CG 4.38Å; L22-L126 HydrophobicContact CD1-CD1 3.56Å
23	L	84.2	Confident	84.3	Confident	30 Å²	30	48 Å²	48	16%	0.157	27%	0.269	C	S	.	.	H	α-helix	trans	-68.5	-30.7	176.7	-73	170.5	0	0	0	112.3	L19 Q20 F21 K43 L44 Q45	L19-L23 HydrophobicContact CG-CD1 4.33Å; L19-L23 WeakPolarHBondContact O-CG 3.38Å; L19-L23 PolarHBondContact O-N 3.39Å; Q20-L23 PolarHBondContact O-N 3.34Å; F21-L23 PolarHBondContact O-N 3.35Å; L23-K43 WeakPolarHBondContact O-CD 3.33Å; L23-K43 WeakPolarHBondContact O-CE 3.43Å; L23-K43 WeakPolarHBondContact O-CG 3.43Å; L23-K43 PolarHBondContact O-NZ 2.62Å; L23-L44 HydrophobicContact CD2-CB 4.35Å; L23-L44 HydrophobicContact CD2-CD2 4.01Å; L23-L44 HydrophobicContact CD2-CG 4.17Å; L23-L44 HydrophobicContact CG-CD2 4.19Å; L23-Q45 WeakPolarHBondContact CD2-O 3.41Å
24	Q	90.6	Very high	85.2	Confident	147 Å²	147	51 Å²	51	69%	0.687	29%	0.29	S	S	*	.	H	α-helix	trans	-70	-40.7	170.7	-171.8	172.6	8.6	0	0	110.6	Q20 F21 L22	Q20-Q24 PolarHBondContact O-N 2.9Å; F21-Q24 PolarHBondContact O-N 2.93Å; L22-Q24 VanDerWaalsContact C-N 3.33Å
25	G	92	Very high	86.5	Confident	12 Å²	12	51.4 Å²	51.4	12%	0.124	31%	0.305	C	S	.	.			trans	79	175.3	-177.6	0	0	0	0	0	113	F21 L22 L42	F21-G25 PolarHBondContact O-N 3.05Å; L22-G25 PolarHBondContact O-N 3.08Å; G25-L42 CarbonylContact C-O 3.58Å; G25-L42 WeakPolarHBondContact CA-O 3.36Å
26	G	92.8	Very high	87.7	Confident	12 Å²	12	52.2 Å²	52.2	12%	0.124	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.3	161.6	-176.3	0	0	0	0	0	113.6	L42	G26-L42 PolarHBondContact N-O 3.1Å; G26-L42 PolarHBondContact O-N 3.43Å
27	D	94.8	Very high	88.3	Confident	92 Å²	92	54.2 Å²	54.2	49%	0.492	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	124.7	175.1	-83.2	-45.9	0	0	0	110.9	T39	D27-T39 HydrophobicContact CB-CG2 3.67Å
28	L	95.1	Very high	88.6	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	138.3	178.4	-64.5	171.6	0	0	0	110.1	K30 T39 R40 L42 F95 L108 A110 W119	L28-K30 PolarHBondContact O-N 3.34Å; L28-T39 CarbonylContact O-C 3.53Å; L28-T39 WeakPolarHBondContact O-CA 3.38Å; L28-R40 PolarHBondContact N-O 3.11Å; L28-R40 PolarHBondContact O-N 3.17Å; L28-L42 HydrophobicContact CB-CD1 4.46Å; L28-L42 HydrophobicContact CD1-CB 4.17Å; L28-L42 HydrophobicContact CD1-CD1 4.26Å; L28-L42 HydrophobicContact CD1-CD2 4.08Å; L28-L42 HydrophobicContact CD1-CG 4.39Å; L28-F95 HydrophobicContact CD1-CE1 4.4Å; L28-F95 HydrophobicContact CD1-CZ 3.76Å; L28-F95 HydrophobicContact CD2-CE1 3.95Å; L28-F95 HydrophobicContact CD2-CZ 4.13Å; L28-L108 HydrophobicContact CB-CD2 3.97Å; L28-L108 HydrophobicContact CD1-CD1 4.04Å; L28-L108 HydrophobicContact CD1-CD2 4.37Å; L28-A110 HydrophobicContact CD2-CB 3.92Å; L28-W119 HydrophobicContact CD1-CD2 4.15Å; L28-W119 HydrophobicContact CD1-CZ2 4.09Å
29	L	93.9	Very high	88.9	Confident	53 Å²	53	57.4 Å²	57.4	28%	0.277	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	105.2	174.6	-169.5	71.5	0	0	0	109.2	K37 L108 I109	L29-K37 HydrophobicContact CD1-CB 4.02Å; L29-K37 HydrophobicContact CD2-CB 3.99Å; L29-K37 HydrophobicContact CD2-CD 4.22Å; L29-K37 HydrophobicContact CG-CB 3.99Å; L29-L108 WeakPolarHBondContact O-CA 3.42Å; L29-I109 HydrophobicContact CB-CB 4.17Å; L29-I109 HydrophobicContact CD2-CD1 4.28Å; L29-I109 PolarHBondContact N-O 3.38Å; L29-I109 PolarHBondContact O-N 3.33Å
30	K	93.7	Very high	89.3	Confident	39 Å²	39	58.6 Å²	58.6	17%	0.17	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	125.9	174.8	-176.9	-177	175.5	-176.5	0	110.5	L28 W36 K37 K38 R40 L106 L108	L28-K30 PolarHBondContact O-N 3.34Å; K30-W36 HydrophobicContact CB-CZ3 4.36Å; K30-W36 HydrophobicContact CD-CH2 4.36Å; K30-W36 HydrophobicContact CD-CZ3 4.09Å; K30-W36 HydrophobicContact CG-CZ3 4.15Å; K30-K37 WeakPolarHBondContact O-CA 3.49Å; K30-K38 WeakPolarHBondContact CB-O 3.35Å; K30-K38 PolarHBondContact N-O 3.14Å; K30-K38 PolarHBondContact O-N 3.35Å; K30-R40 HydrophobicContact CB-CG 4.23Å; K30-L106 HydrophobicContact CD-CD1 3.68Å; K30-L106 VanDerWaalsContact CE-CD1 3.47Å; K30-L106 HydrophobicContact CG-CD1 3.83Å; K30-L108 HydrophobicContact CB-CD2 4.25Å
31	V	91.1	Very high	89.8	Confident	2 Å²	2	56.6 Å²	56.6	1%	0.012	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	131.3	180	-174.1	0	0	0	0	110	K37 L82 N85 T86 D107 I109	V31-K37 HydrophobicContact CG1-CG 4.38Å; V31-K37 HydrophobicContact CG2-CG 4.35Å; V31-L82 HydrophobicContact CB-CD2 4.34Å; V31-L82 HydrophobicContact CG2-CD2 4.25Å; V31-N85 HydrophobicContact CG1-CB 3.58Å; V31-T86 HydrophobicContact CG1-CG2 4.18Å; V31-T86 HydrophobicContact CG2-CG2 4.15Å; V31-D107 HydrophobicContact CB-CB 4.36Å; V31-D107 PolarHBondContact N-O 3.39Å; V31-I109 HydrophobicContact CG2-CD1 3.81Å; V31-I109 HydrophobicContact CG2-CG1 3.81Å
32	L	85.4	Confident	89.9	Confident	97 Å²	97	54.8 Å²	54.8	51%	0.508	29%	0.291	S	S	.	.	S	Bend	trans	-125.9	-33.1	170.4	-70.4	179.6	0	0	0	112.3	W36 N85	L32-W36 HydrophobicContact CB-CB 4.38Å; L32-W36 HydrophobicContact CB-CD2 4.2Å; L32-W36 HydrophobicContact CB-CE3 3.67Å; L32-W36 HydrophobicContact CB-CZ3 4.34Å; L32-W36 HydrophobicContact CD1-CD2 3.86Å; L32-W36 HydrophobicContact CD1-CE3 3.47Å; L32-W36 VanDerWaalsContact CD1-CE3 3.47Å; L32-W36 HydrophobicContact CD1-CH2 3.91Å; L32-W36 HydrophobicContact CD1-CZ2 4.24Å; L32-W36 HydrophobicContact CD1-CZ3 3.52Å; L32-W36 HydrophobicContact CG-CD2 4.3Å; L32-W36 HydrophobicContact CG-CE3 3.54Å; L32-W36 HydrophobicContact CG-CZ3 3.7Å; L32-W36 PolarHBondContact N-O 3.43Å; L32-N85 PolarHBondContact O-ND2 3.04Å
33	S	85.4	Confident	90.1	Very high	32 Å²	32	58.3 Å²	58.3	22%	0.224	31%	0.306	C	S	.	.	S	Bend	trans	-152.6	174.9	176.9	74.8	0	0	0	0	109.2	S35 W36	S33-S35 PolarHBondContact O-N 2.83Å; S33-S35 PolarHBondContact OG-N 2.75Å; S33-S35 PolarHBondContact OG-OG 2.84Å; S33-W36 PolarHBondContact N-O 2.91Å; S33-W36 CarbonylContact O-C 3.57Å; S33-W36 PolarHBondContact O-N 2.81Å; S33-W36 VanDerWaalsContact O-O 3.1Å; S33-W36 VanDerWaalsContact OG-CB 3.26Å; S33-W36 WeakPolarHBondContact OG-CB 3.46Å; S33-W36 PolarHBondContact OG-N 2.83Å
34	P	77.8	Confident	90.3	Very high	86 Å²	86	56.9 Å²	56.9	56%	0.558	30%	0.298	S	S	*	.	S	Bend	trans	-62.2	-36.1	178	-21.3	35.7	0	0	0	111.9	N85	P34-N85 WeakPolarHBondContact CD-OD1 3.32Å
35	S	82.8	Confident	89.8	Confident	119 Å²	119	53.4 Å²	53.4	83%	0.832	28%	0.282	S	S	*	.	S	Bend	trans	-88.9	-17.9	179.3	56.6	0	0	0	0	114.1	S33	S33-S35 PolarHBondContact O-N 2.83Å; S33-S35 PolarHBondContact OG-N 2.75Å; S33-S35 PolarHBondContact OG-OG 2.84Å
36	W	88.1	Confident	88.8	Confident	83 Å²	83	60.4 Å²	60.4	31%	0.314	31%	0.311	S	S	.	.			trans	-110.4	95.1	178.2	-157.9	102	0	0	0	110.6	K30 L32 S33 K38	K30-W36 HydrophobicContact CB-CZ3 4.36Å; K30-W36 HydrophobicContact CD-CH2 4.36Å; K30-W36 HydrophobicContact CD-CZ3 4.09Å; K30-W36 HydrophobicContact CG-CZ3 4.15Å; L32-W36 HydrophobicContact CB-CB 4.38Å; L32-W36 HydrophobicContact CB-CD2 4.2Å; L32-W36 HydrophobicContact CB-CE3 3.67Å; L32-W36 HydrophobicContact CB-CZ3 4.34Å; L32-W36 HydrophobicContact CD1-CD2 3.86Å; L32-W36 HydrophobicContact CD1-CE3 3.47Å; L32-W36 VanDerWaalsContact CD1-CE3 3.47Å; L32-W36 HydrophobicContact CD1-CH2 3.91Å; L32-W36 HydrophobicContact CD1-CZ2 4.24Å; L32-W36 HydrophobicContact CD1-CZ3 3.52Å; L32-W36 HydrophobicContact CG-CD2 4.3Å; L32-W36 HydrophobicContact CG-CE3 3.54Å; L32-W36 HydrophobicContact CG-CZ3 3.7Å; L32-W36 PolarHBondContact N-O 3.43Å; S33-W36 PolarHBondContact N-O 2.91Å; S33-W36 CarbonylContact O-C 3.57Å; S33-W36 PolarHBondContact O-N 2.81Å; S33-W36 VanDerWaalsContact O-O 3.1Å; S33-W36 VanDerWaalsContact OG-CB 3.26Å; S33-W36 WeakPolarHBondContact OG-CB 3.46Å; S33-W36 PolarHBondContact OG-N 2.83Å; W36-K38 HydrophobicContact CD2-CG 4.01Å; W36-K38 HydrophobicContact CE3-CB 4.46Å; W36-K38 HydrophobicContact CE3-CG 4.14Å; W36-K38 HydrophobicContact CH2-CB 3.81Å; W36-K38 HydrophobicContact CH2-CG 3.77Å; W36-K38 HydrophobicContact CZ2-CB 4.17Å; W36-K38 HydrophobicContact CZ2-CG 3.62Å; W36-K38 HydrophobicContact CZ3-CB 3.96Å; W36-K38 HydrophobicContact CZ3-CG 4.02Å
37	K	90.6	Very high	87.2	Confident	71 Å²	71	60.8 Å²	60.8	31%	0.309	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	123.9	169.5	-59	179.8	-175	176.1	0	107.8	L29 K30 V31 N85	L29-K37 HydrophobicContact CD1-CB 4.02Å; L29-K37 HydrophobicContact CD2-CB 3.99Å; L29-K37 HydrophobicContact CD2-CD 4.22Å; L29-K37 HydrophobicContact CG-CB 3.99Å; K30-K37 WeakPolarHBondContact O-CA 3.49Å; V31-K37 HydrophobicContact CG1-CG 4.38Å; V31-K37 HydrophobicContact CG2-CG 4.35Å; K37-N85 WeakPolarHBondContact CE-O 3.31Å; K37-N85 PolarHBondContact NZ-O 2.96Å
38	K	90.1	Very high	86	Confident	106 Å²	106	57.2 Å²	57.2	46%	0.461	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	130.8	-176.4	-64.1	-67.7	179.5	-171.8	0	111.2	K30 W36	K30-K38 WeakPolarHBondContact CB-O 3.35Å; K30-K38 PolarHBondContact N-O 3.14Å; K30-K38 PolarHBondContact O-N 3.35Å; W36-K38 HydrophobicContact CD2-CG 4.01Å; W36-K38 HydrophobicContact CE3-CB 4.46Å; W36-K38 HydrophobicContact CE3-CG 4.14Å; W36-K38 HydrophobicContact CH2-CB 3.81Å; W36-K38 HydrophobicContact CH2-CG 3.77Å; W36-K38 HydrophobicContact CZ2-CB 4.17Å; W36-K38 HydrophobicContact CZ2-CG 3.62Å; W36-K38 HydrophobicContact CZ3-CB 3.96Å; W36-K38 HydrophobicContact CZ3-CG 4.02Å
39	T	91.9	Very high	84.6	Confident	72 Å²	72	59.1 Å²	59.1	44%	0.442	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	135.1	174.2	-49.3	0	0	0	0	110.4	D27 L28	D27-T39 HydrophobicContact CB-CG2 3.67Å; L28-T39 CarbonylContact O-C 3.53Å; L28-T39 WeakPolarHBondContact O-CA 3.38Å
40	R	91.4	Very high	83.9	Confident	33 Å²	33	57.5 Å²	57.5	13%	0.125	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	130.4	176.6	-67	-62.7	-175.6	-92.8	-2.1	108.4	L28 K30 L42 E54	L28-R40 PolarHBondContact N-O 3.11Å; L28-R40 PolarHBondContact O-N 3.17Å; K30-R40 HydrophobicContact CB-CG 4.23Å; R40-L42 HydrophobicContact CB-CD1 3.9Å; R40-L42 WeakPolarHBondContact O-CD1 3.46Å; R40-E54 VanDerWaalsContact CD-O 3.32Å; R40-E54 WeakPolarHBondContact CD-O 3.39Å
41	F	92.5	Very high	83.6	Confident	64 Å²	64	55.7 Å²	55.7	28%	0.281	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	129	170	-166.7	-96.2	0	0	0	110.5	K43 W52 R53 E54	F41-K43 HydrophobicContact CD1-CB 4.36Å; F41-K43 HydrophobicContact CE1-CB 3.71Å; F41-K43 HydrophobicContact CE1-CD 4.35Å; F41-W52 HydrophobicContact CB-CZ3 4.35Å; F41-W52 HydrophobicContact CD1-CE3 4.26Å; F41-W52 AromaticContact CD1-CZ3 3.89Å; F41-W52 HydrophobicContact CD1-CZ3 3.89Å; F41-R53 WeakPolarHBondContact O-CA 3.39Å; F41-E54 HydrophobicContact CB-CB 4.21Å; F41-E54 PolarHBondContact N-OE2 3.36Å; F41-E54 PolarHBondContact O-N 3.39Å
42	L	94.5	Very high	83.5	Confident	1 Å²	1	59.1 Å²	59.1	1%	0.005	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	143.3	172.2	-81	74.9	0	0	0	109.3	G25 G26 L28 R40 I51 W52 R53 L106 L108 W119	G25-L42 CarbonylContact C-O 3.58Å; G25-L42 WeakPolarHBondContact CA-O 3.36Å; G26-L42 PolarHBondContact N-O 3.1Å; G26-L42 PolarHBondContact O-N 3.43Å; L28-L42 HydrophobicContact CB-CD1 4.46Å; L28-L42 HydrophobicContact CD1-CB 4.17Å; L28-L42 HydrophobicContact CD1-CD1 4.26Å; L28-L42 HydrophobicContact CD1-CD2 4.08Å; L28-L42 HydrophobicContact CD1-CG 4.39Å; R40-L42 HydrophobicContact CB-CD1 3.9Å; R40-L42 WeakPolarHBondContact O-CD1 3.46Å; L42-I51 HydrophobicContact CD2-CG2 4.36Å; L42-W52 WeakPolarHBondContact CA-O 3.34Å; L42-R53 HydrophobicContact CD1-CB 4.45Å; L42-R53 HydrophobicContact CD1-CG 3.75Å; L42-R53 HydrophobicContact CG-CB 4.11Å; L42-R53 HydrophobicContact CG-CG 3.94Å; L42-L106 HydrophobicContact CD2-CD2 4.19Å; L42-L108 HydrophobicContact CD2-CD1 4.26Å; L42-W119 HydrophobicContact CB-CH2 3.78Å; L42-W119 HydrophobicContact CB-CZ2 4.29Å; L42-W119 HydrophobicContact CB-CZ3 4.37Å; L42-W119 WeakPolarHBondContact O-CH2 3.42Å
43	K	93.3	Very high	83.7	Confident	73 Å²	73	56.8 Å²	56.8	32%	0.317	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	140.3	178.4	167.6	166.6	162.8	145.9	0	110.8	L23 F41 W52	L23-K43 WeakPolarHBondContact O-CD 3.33Å; L23-K43 WeakPolarHBondContact O-CE 3.43Å; L23-K43 WeakPolarHBondContact O-CG 3.43Å; L23-K43 PolarHBondContact O-NZ 2.62Å; F41-K43 HydrophobicContact CD1-CB 4.36Å; F41-K43 HydrophobicContact CE1-CB 3.71Å; F41-K43 HydrophobicContact CE1-CD 4.35Å; K43-W52 PolarHBondContact N-O 3.33Å; K43-W52 PolarHBondContact O-N 3.34Å
44	L	88.1	Confident	83.7	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	131.4	165.2	-175.4	72.3	0	0	0	109.5	L19 L22 L23 C48 I51 V67 L126	L19-L44 HydrophobicContact CD1-CD2 3.54Å; L22-L44 HydrophobicContact CB-CB 3.81Å; L22-L44 HydrophobicContact CB-CD2 4.04Å; L22-L44 HydrophobicContact CD1-CD2 4.43Å; L22-L44 WeakPolarHBondContact O-CB 3.41Å; L22-L44 PolarHBondContact O-N 3Å; L23-L44 HydrophobicContact CD2-CB 4.35Å; L23-L44 HydrophobicContact CD2-CD2 4.01Å; L23-L44 HydrophobicContact CD2-CG 4.17Å; L23-L44 HydrophobicContact CG-CD2 4.19Å; L44-C48 HydrophobicContact CD2-CB 4.37Å; L44-I51 HydrophobicContact CB-CD1 4.06Å; L44-I51 HydrophobicContact CD1-CD1 3.57Å; L44-I51 HydrophobicContact CG-CD1 4.45Å; L44-V67 HydrophobicContact CD1-CG2 4Å; L44-L126 HydrophobicContact CD1-CD1 3.77Å; L44-L126 HydrophobicContact CD2-CD1 3.56Å; L44-L126 HydrophobicContact CD2-CD2 4.42Å; L44-L126 HydrophobicContact CG-CD1 4.29Å
45	Q	81	Confident	83.5	Confident	74 Å²	74	55 Å²	55	35%	0.346	27%	0.267	S	S	.	.			trans	-75.3	159.8	173.6	-60.2	-156.7	-67.6	0	0	110.5	L23 D47 C48 T50 W52	L23-Q45 WeakPolarHBondContact CD2-O 3.41Å; Q45-D47 PolarHBondContact O-N 3.13Å; Q45-C48 PolarHBondContact O-N 3.28Å; Q45-T50 HydrophobicContact CG-CG2 4.36Å; Q45-T50 WeakPolarHBondContact CG-O 3.3Å; Q45-T50 PolarHBondContact N-O 2.97Å; Q45-W52 HydrophobicContact CG-CB 4.12Å
46	E	70.8	Confident	82.8	Confident	159 Å²	159	56.4 Å²	56.4	74%	0.743	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-18.6	-179.8	-67.5	168.9	-177	0	0	112.9	C48	E46-C48 PolarHBondContact O-N 3.12Å
47	D	59.8	Low	81.7	Confident	21 Å²	21	60.3 Å²	60.3	11%	0.112	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-6.9	173.1	73.2	-0.5	0	0	0	114.4	Q45 K49 T50	Q45-D47 PolarHBondContact O-N 3.13Å; D47-K49 WeakPolarHBondContact O-CG 3.39Å; D47-K49 PolarHBondContact O-N 2.68Å; D47-K49 PolarHBondContact OD1-N 2.72Å; D47-T50 WeakPolarHBondContact OD1-CB 3.36Å; D47-T50 PolarHBondContact OD1-N 3.06Å; D47-T50 VanDerWaalsContact OD2-CB 3.29Å; D47-T50 WeakPolarHBondContact OD2-CB 3.13Å; D47-T50 PolarHBondContact OD2-OG1 3.23Å
48	C	68.6	Low	79.8	Confident	17 Å²	17	63.5 Å²	63.5	12%	0.115	30%	0.302	C	S	.	.	S	Bend	trans	51.6	17.6	-174.8	-63.1	0	0	0	0	114.6	T11 L44 Q45 E46 L126	T11-C48 HydrophobicContact CG2-CB 4.21Å; L44-C48 HydrophobicContact CD2-CB 4.37Å; Q45-C48 PolarHBondContact O-N 3.28Å; E46-C48 PolarHBondContact O-N 3.12Å; C48-L126 HydrophobicContact CB-CD2 4.18Å
49	K	66.1	Low	78	Confident	39 Å²	39	67.3 Å²	67.3	17%	0.17	32%	0.319	C	S	.	.	S	Bend	trans	-127.9	-16.8	-172.9	-75.9	-177.9	175.5	-171.3	0	112.6	D47 P66 V67 L130 H141	D47-K49 WeakPolarHBondContact O-CG 3.39Å; D47-K49 PolarHBondContact O-N 2.68Å; D47-K49 PolarHBondContact OD1-N 2.72Å; K49-P66 CarbonylContact O-C 3.5Å; K49-P66 WeakPolarHBondContact O-CA 3.44Å; K49-V67 WeakPolarHBondContact O-CG2 3.29Å; K49-V67 PolarHBondContact O-N 3.17Å; K49-L130 HydrophobicContact CD-CD2 4.39Å; K49-L130 HydrophobicContact CG-CD2 4.05Å; K49-H141 WeakPolarHBondContact CE-CE1 3.41Å; K49-H141 VanDerWaalsContact CE-ND1 3.29Å; K49-H141 WeakPolarHBondContact CE-ND1 3.4Å; K49-H141 PolarHBondContact NZ-CE1 2.83Å; K49-H141 PolarHBondContact NZ-ND1 2.79Å
50	T	78.8	Confident	76	Confident	19 Å²	19	74.6 Å²	74.6	12%	0.117	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	127.6	-175.7	-55.4	0	0	0	0	110.1	Q45 D47 T64	Q45-T50 HydrophobicContact CG-CG2 4.36Å; Q45-T50 WeakPolarHBondContact CG-O 3.3Å; Q45-T50 PolarHBondContact N-O 2.97Å; D47-T50 WeakPolarHBondContact OD1-CB 3.36Å; D47-T50 PolarHBondContact OD1-N 3.06Å; D47-T50 VanDerWaalsContact OD2-CB 3.29Å; D47-T50 WeakPolarHBondContact OD2-CB 3.13Å; D47-T50 PolarHBondContact OD2-OG1 3.23Å; T50-T64 VanDerWaalsContact CG2-CB 3.48Å; T50-T64 HydrophobicContact CG2-CG2 3.73Å
51	I	87.3	Confident	74.2	Confident	1 Å²	1	74.9 Å²	74.9	1%	0.005	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	119.2	167.8	-57.9	-65.1	0	0	0	108	L42 L44 T64 F65 V67 L123	L42-I51 HydrophobicContact CD2-CG2 4.36Å; L44-I51 HydrophobicContact CB-CD1 4.06Å; L44-I51 HydrophobicContact CD1-CD1 3.57Å; L44-I51 HydrophobicContact CG-CD1 4.45Å; I51-T64 CarbonylContact O-C 3.52Å; I51-T64 VanDerWaalsContact O-CA 3.22Å; I51-T64 WeakPolarHBondContact O-CA 3.3Å; I51-F65 HydrophobicContact CB-CD1 4.33Å; I51-F65 HydrophobicContact CB-CD2 4.07Å; I51-F65 HydrophobicContact CB-CE1 3.9Å; I51-F65 HydrophobicContact CB-CE2 3.62Å; I51-F65 HydrophobicContact CB-CG 4.42Å; I51-F65 HydrophobicContact CB-CZ 3.53Å; I51-F65 HydrophobicContact CG1-CD2 4.42Å; I51-F65 HydrophobicContact CG1-CE2 3.8Å; I51-F65 HydrophobicContact CG1-CZ 4.05Å; I51-F65 HydrophobicContact CG2-CD1 4.47Å; I51-F65 HydrophobicContact CG2-CE1 3.66Å; I51-F65 HydrophobicContact CG2-CE2 4.04Å; I51-F65 HydrophobicContact CG2-CZ 3.41Å; I51-F65 VanDerWaalsContact CG2-CZ 3.41Å; I51-F65 PolarHBondContact N-O 3.46Å; I51-F65 PolarHBondContact O-N 2.98Å; I51-V67 HydrophobicContact CD1-CG2 4.2Å; I51-V67 HydrophobicContact CG1-CG2 3.98Å; I51-L123 HydrophobicContact CD1-CD2 3.79Å; I51-L123 HydrophobicContact CG1-CD2 4.34Å
52	W	90.2	Very high	72.7	Confident	74 Å²	74	78.6 Å²	78.6	28%	0.28	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	141.3	165.5	-172.9	92	0	0	0	110	F41 L42 K43 Q45 E54 Q63 T64	F41-W52 HydrophobicContact CB-CZ3 4.35Å; F41-W52 HydrophobicContact CD1-CE3 4.26Å; F41-W52 AromaticContact CD1-CZ3 3.89Å; F41-W52 HydrophobicContact CD1-CZ3 3.89Å; L42-W52 WeakPolarHBondContact CA-O 3.34Å; K43-W52 PolarHBondContact N-O 3.33Å; K43-W52 PolarHBondContact O-N 3.34Å; Q45-W52 HydrophobicContact CG-CB 4.12Å; W52-E54 HydrophobicContact CH2-CB 3.82Å; W52-E54 HydrophobicContact CH2-CG 4.11Å; W52-E54 HydrophobicContact CZ3-CB 3.87Å; W52-E54 VanDerWaalsContact CZ3-N 3.34Å; W52-Q63 CarbonylContact C-O 3.48Å; W52-T64 HydrophobicContact CB-CG2 4.3Å; W52-T64 HydrophobicContact CG-CG2 4.41Å
53	R	88.8	Confident	72	Confident	49 Å²	49	82.2 Å²	82.2	19%	0.185	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	130.6	178.9	179.7	-177.2	69.1	-171	-5.5	110.1	F41 L42 S55 Q63 F65	F41-R53 WeakPolarHBondContact O-CA 3.39Å; L42-R53 HydrophobicContact CD1-CB 4.45Å; L42-R53 HydrophobicContact CD1-CG 3.75Å; L42-R53 HydrophobicContact CG-CB 4.11Å; L42-R53 HydrophobicContact CG-CG 3.94Å; R53-S55 PolarHBondContact O-N 2.93Å; R53-Q63 PolarHBondContact N-O 2.79Å; R53-F65 HydrophobicContact CB-CE1 4.39Å
54	E	85.3	Confident	71.5	Confident	55 Å²	55	81.2 Å²	81.2	26%	0.257	39%	0.391	S	S	.	.			trans	-58.3	134.8	173.5	-162.9	-163	175.7	0	0	111.3	R40 F41 W52 K56	R40-E54 VanDerWaalsContact CD-O 3.32Å; R40-E54 WeakPolarHBondContact CD-O 3.39Å; F41-E54 HydrophobicContact CB-CB 4.21Å; F41-E54 PolarHBondContact N-OE2 3.36Å; F41-E54 PolarHBondContact O-N 3.39Å; W52-E54 HydrophobicContact CH2-CB 3.82Å; W52-E54 HydrophobicContact CH2-CG 4.11Å; W52-E54 HydrophobicContact CZ3-CB 3.87Å; W52-E54 VanDerWaalsContact CZ3-N 3.34Å; E54-K56 WeakPolarHBondContact OE1-CE 3.26Å; E54-K56 IonicContact OE1-NZ 3.77Å
55	S	73.7	Confident	71.2	Confident	26 Å²	26	81.3 Å²	81.3	18%	0.182	39%	0.392	C	S	.	.			trans	-136.2	126.9	174.3	179.9	0	0	0	0	110	R53 S61	R53-S55 PolarHBondContact O-N 2.93Å; S55-S61 WeakPolarHBondContact CB-OG 3.45Å; S55-S61 PolarHBondContact OG-OG 2.86Å
56	K	68.5	Low	71.1	Confident	147 Å²	147	81.1 Å²	81.1	64%	0.639	40%	0.397	S	S	*	.			trans	-94.7	14.7	178.2	-57.3	-169	178.6	-171.4	0	113	E54	E54-K56 WeakPolarHBondContact OE1-CE 3.26Å; E54-K56 IonicContact OE1-NZ 3.77Å
57	K	64	Low	71.6	Confident	166 Å²	166	73.5 Å²	73.5	72%	0.722	36%	0.361	S	S	*	.			trans	-81.3	128.6	174.9	-72.4	-165.9	175.5	-171.1	0	109.9	F59	K57-F59 VanDerWaalsContact C-N 3.31Å; K57-F59 PolarHBondContact O-N 3.3Å
58	T	50.8	Low	72.2	Confident	137 Å²	137	75.7 Å²	75.7	84%	0.84	37%	0.373	S	S	*	.	S	Bend	trans	-74.4	-13.1	-172.2	-2.4	0	0	0	0	114.8
59	F	52.9	Low	72.7	Confident	187 Å²	187	76.1 Å²	76.1	82%	0.82	38%	0.376	S	S	*	.	S	Bend	trans	-124.7	127.2	176.6	-75.5	-84.7	0	0	0	111.4	K57 S61	K57-F59 VanDerWaalsContact C-N 3.31Å; K57-F59 PolarHBondContact O-N 3.3Å; F59-S61 PolarHBondContact O-N 3.27Å; F59-S61 VanDerWaalsContact O-N 3.14Å
60	K	50.8	Low	73.6	Confident	224 Å²	224	74.3 Å²	74.3	97%	0.974	37%	0.369	S	S	*	.			trans	9.2	82.8	175.2	-71.6	-175.6	178	178.8	0	114.9
61	S	53.4	Low	73.6	Confident	40 Å²	40	76 Å²	76	28%	0.28	38%	0.384	S	S	.	.			trans	-101.2	126.1	156	67.8	0	0	0	0	108.5	S55 F59 Q63	S55-S61 WeakPolarHBondContact CB-OG 3.45Å; S55-S61 PolarHBondContact OG-OG 2.86Å; F59-S61 PolarHBondContact O-N 3.27Å; F59-S61 VanDerWaalsContact O-N 3.14Å; S61-Q63 PolarHBondContact O-N 2.66Å
62	N	59.7	Low	73.6	Confident	141 Å²	141	77.5 Å²	77.5	75%	0.754	40%	0.397	S	S	*	.			trans	-53	110.6	160.9	-108.3	-4.5	0	0	0	107.5	T64	N62-T64 PolarHBondContact O-N 3.47Å
63	Q	80.9	Confident	73.7	Confident	78 Å²	78	74.4 Å²	74.4	36%	0.364	39%	0.386	S	S	.	.			trans	-79.4	2.5	-179.9	-71.5	-175.1	-21.5	0	0	111.7	W52 R53 S61	W52-Q63 CarbonylContact C-O 3.48Å; R53-Q63 PolarHBondContact N-O 2.79Å; S61-Q63 PolarHBondContact O-N 2.66Å
64	T	81.6	Confident	73.8	Confident	51 Å²	51	73.1 Å²	73.1	31%	0.313	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	155.8	-178.4	54.8	0	0	0	0	111.3	T50 I51 W52 N62	T50-T64 VanDerWaalsContact CG2-CB 3.48Å; T50-T64 HydrophobicContact CG2-CG2 3.73Å; I51-T64 CarbonylContact O-C 3.52Å; I51-T64 VanDerWaalsContact O-CA 3.22Å; I51-T64 WeakPolarHBondContact O-CA 3.3Å; W52-T64 HydrophobicContact CB-CG2 4.3Å; W52-T64 HydrophobicContact CG-CG2 4.41Å; N62-T64 PolarHBondContact O-N 3.47Å
65	F	82.7	Confident	74.1	Confident	3 Å²	3	74.1 Å²	74.1	1%	0.013	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	145.9	163.5	59.1	-90.8	0	0	0	110.2	I51 R53 I70 I97 F99 R103 L106	I51-F65 HydrophobicContact CB-CD1 4.33Å; I51-F65 HydrophobicContact CB-CD2 4.07Å; I51-F65 HydrophobicContact CB-CE1 3.9Å; I51-F65 HydrophobicContact CB-CE2 3.62Å; I51-F65 HydrophobicContact CB-CG 4.42Å; I51-F65 HydrophobicContact CB-CZ 3.53Å; I51-F65 HydrophobicContact CG1-CD2 4.42Å; I51-F65 HydrophobicContact CG1-CE2 3.8Å; I51-F65 HydrophobicContact CG1-CZ 4.05Å; I51-F65 HydrophobicContact CG2-CD1 4.47Å; I51-F65 HydrophobicContact CG2-CE1 3.66Å; I51-F65 HydrophobicContact CG2-CE2 4.04Å; I51-F65 HydrophobicContact CG2-CZ 3.41Å; I51-F65 VanDerWaalsContact CG2-CZ 3.41Å; I51-F65 PolarHBondContact N-O 3.46Å; I51-F65 PolarHBondContact O-N 2.98Å; R53-F65 HydrophobicContact CB-CE1 4.39Å; F65-I70 HydrophobicContact CE2-CD1 4.14Å; F65-I70 HydrophobicContact CE2-CG1 4.34Å; F65-I97 HydrophobicContact CZ-CD1 4.47Å; F65-F99 AromaticContact CD2-CE1 3.53Å; F65-F99 HydrophobicContact CD2-CE1 3.53Å; F65-F99 HydrophobicContact CD2-CZ 4.01Å; F65-F99 AromaticContact CE2-CE1 3.73Å; F65-F99 HydrophobicContact CE2-CE1 3.73Å; F65-F99 AromaticContact CE2-CZ 3.87Å; F65-F99 HydrophobicContact CE2-CZ 3.87Å; F65-F99 HydrophobicContact CG-CE1 4.08Å; F65-F99 HydrophobicContact CG-CZ 4.36Å; F65-F99 HydrophobicContact CZ-CE1 4.44Å; F65-F99 HydrophobicContact CZ-CZ 4.13Å; F65-R103 VanDerWaalsContact CB-NH1 3.3Å; F65-L106 HydrophobicContact CZ-CD2 4.49Å
66	P	79.1	Confident	74.9	Confident	69 Å²	69	73.1 Å²	73.1	45%	0.448	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	143.7	179.9	28.6	-31.5	0	0	0	110.8	K49 D68 S69	K49-P66 CarbonylContact O-C 3.5Å; K49-P66 WeakPolarHBondContact O-CA 3.44Å; P66-D68 PolarHBondContact O-N 2.79Å; P66-S69 WeakPolarHBondContact O-CB 3.3Å; P66-S69 PolarHBondContact O-N 3.03Å; P66-S69 PolarHBondContact O-OG 3.03Å
67	V	80.7	Confident	76	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-59.2	-36.2	173.9	175.9	0	0	0	0	110.4	L44 K49 I51 S69 I70 L126 I127 L130	L44-V67 HydrophobicContact CD1-CG2 4Å; K49-V67 WeakPolarHBondContact O-CG2 3.29Å; K49-V67 PolarHBondContact O-N 3.17Å; I51-V67 HydrophobicContact CD1-CG2 4.2Å; I51-V67 HydrophobicContact CG1-CG2 3.98Å; V67-S69 PolarHBondContact O-N 2.88Å; V67-S69 VanDerWaalsContact O-N 3.14Å; V67-I70 HydrophobicContact CG1-CD1 4.37Å; V67-I70 VanDerWaalsContact O-CB 3.23Å; V67-I70 WeakPolarHBondContact O-CB 3.03Å; V67-I70 VanDerWaalsContact O-CG1 3.3Å; V67-I70 WeakPolarHBondContact O-CG1 3.37Å; V67-I70 PolarHBondContact O-N 3.28Å; V67-L126 HydrophobicContact CG1-CB 4.09Å; V67-I127 HydrophobicContact CG1-CG1 3.92Å; V67-L130 HydrophobicContact CB-CD1 3.86Å; V67-L130 HydrophobicContact CG1-CD1 3.64Å
68	D	72.6	Confident	77	Confident	66 Å²	66	63.9 Å²	63.9	35%	0.353	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-62.9	-19	175.4	-177.6	34.1	0	0	0	113.5	P66 I70 K100	P66-D68 PolarHBondContact O-N 2.79Å; D68-I70 PolarHBondContact O-N 3.45Å; D68-K100 VanDerWaalsContact O-CD 3.3Å; D68-K100 WeakPolarHBondContact O-CD 3.48Å; D68-K100 WeakPolarHBondContact O-CE 3.48Å; D68-K100 PolarHBondContact O-NZ 2.89Å; D68-K100 IonicContact OD1-NZ 3.46Å; D68-K100 PolarHBondContact OD1-NZ 3.35Å
69	S	78.9	Confident	78.6	Confident	26 Å²	26	57.6 Å²	57.6	18%	0.182	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-75.4	-6.9	171.3	69.8	0	0	0	0	113.9	P66 V67 F99 K100	P66-S69 WeakPolarHBondContact O-CB 3.3Å; P66-S69 PolarHBondContact O-N 3.03Å; P66-S69 PolarHBondContact O-OG 3.03Å; V67-S69 PolarHBondContact O-N 2.88Å; V67-S69 VanDerWaalsContact O-N 3.14Å; S69-F99 CarbonylContact O-C 3.57Å; S69-F99 WeakPolarHBondContact O-CA 3.49Å; S69-F99 WeakPolarHBondContact O-CD1 3.44Å; S69-K100 PolarHBondContact O-N 3.21Å
70	I	85.2	Confident	79.9	Confident	2 Å²	2	52.4 Å²	52.4	1%	0.01	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	122.2	179.5	-54.4	173	0	0	0	108.6	F65 V67 D68 A72 V73 I97 V98 F99 L123 I127	F65-I70 HydrophobicContact CE2-CD1 4.14Å; F65-I70 HydrophobicContact CE2-CG1 4.34Å; V67-I70 HydrophobicContact CG1-CD1 4.37Å; V67-I70 VanDerWaalsContact O-CB 3.23Å; V67-I70 WeakPolarHBondContact O-CB 3.03Å; V67-I70 VanDerWaalsContact O-CG1 3.3Å; V67-I70 WeakPolarHBondContact O-CG1 3.37Å; V67-I70 PolarHBondContact O-N 3.28Å; D68-I70 PolarHBondContact O-N 3.45Å; I70-A72 WeakPolarHBondContact CG2-O 3.4Å; I70-V73 HydrophobicContact CG2-CG2 3.84Å; I70-I97 HydrophobicContact CB-CG2 4.33Å; I70-I97 HydrophobicContact CD1-CG2 3.92Å; I70-I97 HydrophobicContact CG1-CG2 3.76Å; I70-I97 HydrophobicContact CG2-CG2 3.73Å; I70-V98 CarbonylContact C-O 3.6Å; I70-V98 WeakPolarHBondContact CG2-O 2.98Å; I70-F99 HydrophobicContact CG1-CE1 4.28Å; I70-L123 HydrophobicContact CD1-CD2 4.32Å; I70-I127 HydrophobicContact CB-CD1 3.88Å; I70-I127 HydrophobicContact CB-CG1 4.41Å; I70-I127 HydrophobicContact CG2-CD1 3.53Å
71	A	79.2	Confident	81.5	Confident	53 Å²	53	42.7 Å²	42.7	44%	0.438	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	-40.7	174.6	0	0	0	0	0	111.5	V98 K100	A71-V98 HydrophobicContact CB-CG1 4.32Å; A71-V98 PolarHBondContact N-O 2.72Å; A71-K100 HydrophobicContact CB-CG 3.82Å
72	A	85.9	Confident	83.2	Confident	34 Å²	34	40.8 Å²	40.8	28%	0.281	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	158.5	178.9	0	0	0	0	0	111.1	I70 V98	I70-A72 WeakPolarHBondContact CG2-O 3.4Å; A72-V98 HydrophobicContact CB-CB 4.29Å; A72-V98 PolarHBondContact N-O 2.84Å; A72-V98 WeakPolarHBondContact O-CB 3.4Å; A72-V98 PolarHBondContact O-N 3.49Å
73	V	92.2	Very high	84.3	Confident	8 Å²	8	39.8 Å²	39.8	5%	0.048	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	122	166.8	-170.6	0	0	0	0	108.1	I70 F95 T96 I97 V120 L123 Q124 I127	I70-V73 HydrophobicContact CG2-CG2 3.84Å; V73-F95 HydrophobicContact CG1-CD2 4.09Å; V73-T96 WeakPolarHBondContact CA-O 3.48Å; V73-I97 HydrophobicContact CG1-CG1 4.46Å; V73-V120 HydrophobicContact CG1-CB 4.3Å; V73-V120 HydrophobicContact CG1-CG1 4.2Å; V73-V120 HydrophobicContact CG1-CG2 3.88Å; V73-L123 HydrophobicContact CG1-CD1 4.46Å; V73-L123 HydrophobicContact CG2-CB 3.84Å; V73-L123 HydrophobicContact CG2-CD1 4.19Å; V73-Q124 HydrophobicContact CB-CG 4.28Å; V73-Q124 PolarHBondContact O-NE2 2.9Å; V73-I127 HydrophobicContact CG2-CD1 3.91Å
74	R	90.9	Very high	84.5	Confident	22 Å²	22	44.4 Å²	44.4	8%	0.083	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	119	-174.2	-62.8	-177.2	-171.7	155	7.3	109.5	Q78 F95 T96 V98 E324	R74-Q78 HydrophobicContact CB-CB 3.99Å; R74-Q78 HydrophobicContact CB-CG 4.44Å; R74-F95 CarbonylContact O-C 3.43Å; R74-F95 WeakPolarHBondContact O-CA 3.5Å; R74-F95 WeakPolarHBondContact O-CB 3.37Å; R74-T96 PolarHBondContact N-O 3.37Å; R74-T96 PolarHBondContact O-N 3Å; R74-V98 HydrophobicContact CG-CG2 4.4Å; R74-E324 IonicContact CZ-OE1 3.73Å; R74-E324 IonicContact CZ-OE2 3.64Å; R74-E324 IonicContact NH1-OE1 2.76Å; R74-E324 IonicContact NH1-OE2 2.8Å; R74-E324 PolarHBondContact NH1-OE2 3.33Å; R74-E324 IonicContact NH2-OE1 3.32Å; R74-E324 PolarHBondContact NH2-OE1 2.9Å; R74-E324 IonicContact NH2-OE2 2.77Å; R74-E324 PolarHBondContact NH2-OE2 3.36Å
75	L	92.3	Very high	84.8	Confident	76 Å²	76	42.9 Å²	42.9	40%	0.398	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	145.6	174.2	-174.5	66.1	0	0	0	110.2	Q78 F95 A116 V120	L75-Q78 WeakPolarHBondContact O-CG 3.49Å; L75-Q78 PolarHBondContact O-NE2 3.41Å; L75-F95 HydrophobicContact CD1-CB 4.44Å; L75-A116 HydrophobicContact CD1-CB 4.11Å; L75-V120 HydrophobicContact CB-CG1 4.31Å; L75-V120 HydrophobicContact CB-CG2 4.15Å; L75-V120 HydrophobicContact CD1-CG2 3.83Å
76	G	91.7	Very high	85.1	Confident	6 Å²	6	43.2 Å²	43.2	6%	0.062	23%	0.232	C	C	.	.	S	Bend	trans	86.5	-165.4	179.5	0	0	0	0	0	113.8	Q78 E91 C94	G76-Q78 PolarHBondContact O-N 2.92Å; G76-Q78 VanDerWaalsContact O-N 3.15Å; G76-E91 WeakPolarHBondContact CA-O 3.4Å; G76-C94 WeakPolarHBondContact CA-O 3.49Å; G76-C94 PolarHBondContact N-O 2.87Å
77	R	90.9	Very high	85.5	Confident	37 Å²	37	46 Å²	46	14%	0.14	24%	0.239	C	C	.	.	S	Bend	trans	-89.4	55.1	178.7	-65.8	166.8	66.8	-142.1	7.4	110.4	L82 K83 T86 E87 E91 C94	R77-L82 HydrophobicContact CB-CB 4.18Å; R77-L82 HydrophobicContact CG-CB 4.21Å; R77-K83 HydrophobicContact CB-CG 4.27Å; R77-K83 PolarHBondContact NH2-O 2.92Å; R77-K83 WeakPolarHBondContact O-CE 3.45Å; R77-K83 WeakPolarHBondContact O-CG 3.43Å; R77-T86 WeakPolarHBondContact CD-OG1 3.36Å; R77-T86 PolarHBondContact NE-OG1 3.32Å; R77-T86 PolarHBondContact NH2-O 3.25Å; R77-E87 WeakPolarHBondContact CD-O 3.48Å; R77-E87 PolarHBondContact NE-O 2.78Å; R77-E91 HydrophobicContact CB-CG 4.44Å; R77-E91 HydrophobicContact CG-CB 4.19Å; R77-E91 HydrophobicContact CG-CG 4.17Å; R77-C94 HydrophobicContact CG-CB 4.12Å
78	Q	84.8	Confident	85.8	Confident	81 Å²	81	52.9 Å²	52.9	38%	0.379	27%	0.271	S	S	.	.			trans	-83.3	-21.6	-176.5	-67.7	-170.6	17.5	0	0	113.6	R74 L75 G76	R74-Q78 HydrophobicContact CB-CB 3.99Å; R74-Q78 HydrophobicContact CB-CG 4.44Å; L75-Q78 WeakPolarHBondContact O-CG 3.49Å; L75-Q78 PolarHBondContact O-NE2 3.41Å; G76-Q78 PolarHBondContact O-N 2.92Å; G76-Q78 VanDerWaalsContact O-N 3.15Å
79	S	85.2	Confident	86.5	Confident	5 Å²	5	56.9 Å²	56.9	4%	0.035	29%	0.288	C	S	.	.	S	Bend	trans	-83.7	149.7	174.2	74	0	0	0	0	112.2	G81 L82 K83 T96 D107	S79-G81 PolarHBondContact O-N 3Å; S79-L82 PolarHBondContact O-N 2.75Å; S79-L82 WeakPolarHBondContact OG-CG 3.12Å; S79-L82 PolarHBondContact OG-N 3.2Å; S79-L82 VanDerWaalsContact OG-N 3.09Å; S79-K83 WeakPolarHBondContact O-CG 3.44Å; S79-K83 PolarHBondContact O-N 3.38Å; S79-T96 WeakPolarHBondContact CB-OG1 3.37Å; S79-T96 PolarHBondContact OG-OG1 3.25Å; S79-D107 WeakPolarHBondContact CB-OD1 3.38Å; S79-D107 PolarHBondContact OG-OD1 3.05Å; S79-D107 PolarHBondContact OG-OD2 3.14Å
80	E	80.3	Confident	87	Confident	78 Å²	78	56.9 Å²	56.9	36%	0.364	29%	0.287	S	S	.	.	H	α-helix	trans	-55.1	-38.8	171.6	-68.3	179.7	157.3	0	0	111.6	L82 K83 K84 S322 T323	E80-L82 PolarHBondContact O-N 3.33Å; E80-K83 PolarHBondContact O-N 2.93Å; E80-K84 VanDerWaalsContact O-CB 3.27Å; E80-K84 WeakPolarHBondContact O-CB 3.39Å; E80-K84 PolarHBondContact O-N 2.88Å; E80-S322 PolarHBondContact OE2-OG 2.95Å; E80-T323 VanDerWaalsContact CD-OG1 3.24Å; E80-T323 VanDerWaalsContact OE1-CB 3.31Å; E80-T323 WeakPolarHBondContact OE1-CB 3.49Å; E80-T323 VanDerWaalsContact OE1-CG2 3.23Å; E80-T323 WeakPolarHBondContact OE1-CG2 3.4Å; E80-T323 PolarHBondContact OE1-N 3.17Å; E80-T323 VanDerWaalsContact OE1-N 3.09Å; E80-T323 PolarHBondContact OE1-OG1 3.41Å
81	G	83.4	Confident	87.3	Confident	20 Å²	20	60.2 Å²	60.2	21%	0.206	30%	0.302	C	S	.	.	H	α-helix	trans	-61	-44.5	179.1	0	0	0	0	0	112.6	S79 N85 D107	S79-G81 PolarHBondContact O-N 3Å; G81-N85 WeakPolarHBondContact O-CB 3.48Å; G81-N85 PolarHBondContact O-N 2.88Å; G81-N85 VanDerWaalsContact O-N 3.08Å; G81-N85 PolarHBondContact O-ND2 2.74Å; G81-D107 WeakPolarHBondContact CA-OD2 3.45Å
82	L	88.3	Confident	87.9	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-72.7	-43.8	176.1	-72.2	170.9	0	0	0	112	V31 R77 S79 E80 K84 N85 T86 C94 T96 D107	V31-L82 HydrophobicContact CB-CD2 4.34Å; V31-L82 HydrophobicContact CG2-CD2 4.25Å; R77-L82 HydrophobicContact CB-CB 4.18Å; R77-L82 HydrophobicContact CG-CB 4.21Å; S79-L82 PolarHBondContact O-N 2.75Å; S79-L82 WeakPolarHBondContact OG-CG 3.12Å; S79-L82 PolarHBondContact OG-N 3.2Å; S79-L82 VanDerWaalsContact OG-N 3.09Å; E80-L82 PolarHBondContact O-N 3.33Å; L82-K84 PolarHBondContact O-N 3.24Å; L82-N85 PolarHBondContact O-N 2.92Å; L82-T86 HydrophobicContact CD2-CG2 3.71Å; L82-T86 PolarHBondContact O-N 3.37Å; L82-T86 PolarHBondContact O-OG1 3.39Å; L82-C94 HydrophobicContact CD1-CB 4.1Å; L82-T96 WeakPolarHBondContact CD1-OG1 3.07Å; L82-D107 HydrophobicContact CD1-CB 4.25Å; L82-D107 HydrophobicContact CD2-CB 3.75Å; L82-D107 HydrophobicContact CG-CB 3.68Å
83	K	84.8	Confident	88.4	Confident	121 Å²	121	63.2 Å²	63.2	53%	0.526	30%	0.304	S	S	.	.	H	α-helix	trans	-54.4	-43.2	177	-70.4	-179.3	-177.1	175.7	0	111.7	R77 S79 E80	R77-K83 HydrophobicContact CB-CG 4.27Å; R77-K83 PolarHBondContact NH2-O 2.92Å; R77-K83 WeakPolarHBondContact O-CE 3.45Å; R77-K83 WeakPolarHBondContact O-CG 3.43Å; S79-K83 WeakPolarHBondContact O-CG 3.44Å; S79-K83 PolarHBondContact O-N 3.38Å; E80-K83 PolarHBondContact O-N 2.93Å
84	K	84.4	Confident	88.5	Confident	174 Å²	174	62.8 Å²	62.8	76%	0.757	30%	0.302	S	S	*	.	H	α-helix	trans	-78.1	-35.6	-177.8	-172.8	172.7	-178.1	171.5	0	114.1	E80 L82	E80-K84 VanDerWaalsContact O-CB 3.27Å; E80-K84 WeakPolarHBondContact O-CB 3.39Å; E80-K84 PolarHBondContact O-N 2.88Å; L82-K84 PolarHBondContact O-N 3.24Å
85	N	87.9	Confident	88.8	Confident	19 Å²	19	61.8 Å²	61.8	10%	0.102	30%	0.298	C	S	.	.	H	α-helix	trans	-107.9	-2.3	-166.5	-56.9	-47.8	0	0	0	114.4	V31 L32 P34 K37 G81 L82	V31-N85 HydrophobicContact CG1-CB 3.58Å; L32-N85 PolarHBondContact O-ND2 3.04Å; P34-N85 WeakPolarHBondContact CD-OD1 3.32Å; K37-N85 WeakPolarHBondContact CE-O 3.31Å; K37-N85 PolarHBondContact NZ-O 2.96Å; G81-N85 WeakPolarHBondContact O-CB 3.48Å; G81-N85 PolarHBondContact O-N 2.88Å; G81-N85 VanDerWaalsContact O-N 3.08Å; G81-N85 PolarHBondContact O-ND2 2.74Å; L82-N85 PolarHBondContact O-N 2.92Å
86	T	88.4	Confident	88.9	Confident	10 Å²	10	58.1 Å²	58.1	6%	0.061	28%	0.279	C	S	.	.	S	Bend	trans	-128.2	159.8	177.1	77.8	0	0	0	0	111.3	V31 R77 L82 I109	V31-T86 HydrophobicContact CG1-CG2 4.18Å; V31-T86 HydrophobicContact CG2-CG2 4.15Å; R77-T86 WeakPolarHBondContact CD-OG1 3.36Å; R77-T86 PolarHBondContact NE-OG1 3.32Å; R77-T86 PolarHBondContact NH2-O 3.25Å; L82-T86 HydrophobicContact CD2-CG2 3.71Å; L82-T86 PolarHBondContact O-N 3.37Å; L82-T86 PolarHBondContact O-OG1 3.39Å; T86-I109 HydrophobicContact CG2-CD1 3.8Å
87	E	87.7	Confident	89.1	Confident	129 Å²	129	58 Å²	58	60%	0.603	28%	0.277	S	S	*	.			trans	-87.7	164.1	176.8	-52.1	169.7	-176.7	0	0	110.4	R77 Q89 V90	R77-E87 WeakPolarHBondContact CD-O 3.48Å; R77-E87 PolarHBondContact NE-O 2.78Å; E87-Q89 VanDerWaalsContact C-N 3.35Å; E87-Q89 PolarHBondContact OE2-OE1 3.41Å; E87-V90 WeakPolarHBondContact O-CG2 3.35Å; E87-V90 PolarHBondContact O-N 3.4Å
88	E	86.4	Confident	88.9	Confident	143 Å²	143	56.4 Å²	56.4	67%	0.668	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-71.5	-29.6	-176.9	-162.4	167.5	-168.1	0	0	112.7	V90 E91	E88-V90 PolarHBondContact O-N 2.54Å; E88-V90 VanDerWaalsContact O-N 3.1Å; E88-E91 WeakPolarHBondContact O-CB 3.46Å; E88-E91 PolarHBondContact O-N 3.08Å
89	Q	88.5	Confident	88.9	Confident	150 Å²	150	52.7 Å²	52.7	70%	0.701	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-66	-17.9	-180	-51.3	85.7	-7.6	0	0	113.1	E87	E87-Q89 VanDerWaalsContact C-N 3.35Å; E87-Q89 PolarHBondContact OE2-OE1 3.41Å
90	V	89.7	Confident	88.5	Confident	26 Å²	26	55.2 Å²	55.2	16%	0.158	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-96.6	4.2	177.8	-58	0	0	0	0	113.2	E87 E88 C92 R93 C94 I109	E87-V90 WeakPolarHBondContact O-CG2 3.35Å; E87-V90 PolarHBondContact O-N 3.4Å; E88-V90 PolarHBondContact O-N 2.54Å; E88-V90 VanDerWaalsContact O-N 3.1Å; V90-C92 PolarHBondContact O-N 3.45Å; V90-R93 PolarHBondContact O-N 3.22Å; V90-C94 PolarHBondContact O-N 3Å; V90-C94 PolarHBondContact O-SG 2.85Å; V90-I109 HydrophobicContact CG2-CD1 4.36Å
91	E	90.6	Very high	88	Confident	73 Å²	73	52.3 Å²	52.3	34%	0.341	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-56	-47.7	-173.4	-179.5	158.1	178.2	0	0	113.5	G76 R77 E88 R93 C94	G76-E91 WeakPolarHBondContact CA-O 3.4Å; R77-E91 HydrophobicContact CB-CG 4.44Å; R77-E91 HydrophobicContact CG-CB 4.19Å; R77-E91 HydrophobicContact CG-CG 4.17Å; E88-E91 WeakPolarHBondContact O-CB 3.46Å; E88-E91 PolarHBondContact O-N 3.08Å; E91-R93 PolarHBondContact O-N 2.92Å; E91-C94 WeakPolarHBondContact O-CB 3.41Å; E91-C94 PolarHBondContact O-N 2.81Å
92	C	92	Very high	87.1	Confident	67 Å²	67	58.6 Å²	58.6	45%	0.453	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-62.8	-14.5	-179.2	-54.2	0	0	0	0	113.8	V90 E113	V90-C92 PolarHBondContact O-N 3.45Å; C92-E113 HydrophobicContact CB-CB 4.17Å; C92-E113 HydrophobicContact CB-CG 3.87Å
93	R	95.3	Very high	86.5	Confident	82 Å²	82	62.9 Å²	62.9	31%	0.309	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-102.9	-6	177.6	-55	-167.6	-67.5	124.4	2.1	113.1	V90 E91 I109 A110 S111	V90-R93 PolarHBondContact O-N 3.22Å; E91-R93 PolarHBondContact O-N 2.92Å; R93-I109 HydrophobicContact CB-CG2 3.92Å; R93-I109 CarbonylContact O-C 3.49Å; R93-I109 WeakPolarHBondContact O-CA 3.28Å; R93-A110 PolarHBondContact NH1-O 2.95Å; R93-A110 PolarHBondContact O-N 2.73Å; R93-S111 WeakPolarHBondContact CD-O 3.21Å; R93-S111 PolarHBondContact NH1-O 2.98Å; R93-S111 VanDerWaalsContact NH1-O 3.1Å
94	C	96	Very high	86.3	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	147.4	-177.6	-70.4	0	0	0	0	110.9	G76 R77 L82 V90 E91 L108	G76-C94 WeakPolarHBondContact CA-O 3.49Å; G76-C94 PolarHBondContact N-O 2.87Å; R77-C94 HydrophobicContact CG-CB 4.12Å; L82-C94 HydrophobicContact CD1-CB 4.1Å; V90-C94 PolarHBondContact O-N 3Å; V90-C94 PolarHBondContact O-SG 2.85Å; E91-C94 WeakPolarHBondContact O-CB 3.41Å; E91-C94 PolarHBondContact O-N 2.81Å; C94-L108 WeakPolarHBondContact CA-O 3.49Å
95	F	96.4	Very high	86.5	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	159	164.4	66.4	-81.1	0	0	0	111.1	L28 V73 R74 L75 I97 L108 A110 A116 W119 V120	L28-F95 HydrophobicContact CD1-CE1 4.4Å; L28-F95 HydrophobicContact CD1-CZ 3.76Å; L28-F95 HydrophobicContact CD2-CE1 3.95Å; L28-F95 HydrophobicContact CD2-CZ 4.13Å; V73-F95 HydrophobicContact CG1-CD2 4.09Å; R74-F95 CarbonylContact O-C 3.43Å; R74-F95 WeakPolarHBondContact O-CA 3.5Å; R74-F95 WeakPolarHBondContact O-CB 3.37Å; L75-F95 HydrophobicContact CD1-CB 4.44Å; F95-I97 HydrophobicContact CD2-CG1 4.39Å; F95-I97 HydrophobicContact CE2-CD1 4.34Å; F95-I97 HydrophobicContact CE2-CG1 4.17Å; F95-L108 HydrophobicContact CD1-CB 4.3Å; F95-L108 HydrophobicContact CD2-CD1 4.35Å; F95-L108 HydrophobicContact CE1-CB 3.94Å; F95-L108 HydrophobicContact CE2-CB 4.17Å; F95-L108 HydrophobicContact CE2-CD1 3.56Å; F95-L108 HydrophobicContact CE2-CG 4.49Å; F95-L108 HydrophobicContact CZ-CB 3.88Å; F95-L108 HydrophobicContact CZ-CD1 3.74Å; F95-L108 HydrophobicContact CZ-CG 4.45Å; F95-L108 PolarHBondContact N-O 2.87Å; F95-L108 PolarHBondContact O-N 3Å; F95-L108 VanDerWaalsContact O-O 3.14Å; F95-A110 HydrophobicContact CE1-CB 4.41Å; F95-A116 HydrophobicContact CD1-CB 4.27Å; F95-W119 HydrophobicContact CE1-CB 4Å; F95-W119 HydrophobicContact CE1-CG 4.21Å; F95-W119 HydrophobicContact CE2-CB 4.1Å; F95-W119 HydrophobicContact CZ-CB 3.65Å; F95-W119 HydrophobicContact CZ-CD2 4.27Å; F95-W119 AromaticContact CZ-CG 3.77Å; F95-W119 HydrophobicContact CZ-CG 3.77Å; F95-V120 HydrophobicContact CB-CG2 3.59Å; F95-V120 HydrophobicContact CD2-CG2 4.11Å; F95-V120 HydrophobicContact CG-CG2 3.88Å
96	T	95.3	Very high	86.6	Confident	0 Å²	0	59 Å²	59	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	131.2	178.1	-60.3	0	0	0	0	110.7	V73 R74 S79 L82 V98 N105 L106 D107	V73-T96 WeakPolarHBondContact CA-O 3.48Å; R74-T96 PolarHBondContact N-O 3.37Å; R74-T96 PolarHBondContact O-N 3Å; S79-T96 WeakPolarHBondContact CB-OG1 3.37Å; S79-T96 PolarHBondContact OG-OG1 3.25Å; L82-T96 WeakPolarHBondContact CD1-OG1 3.07Å; T96-V98 HydrophobicContact CG2-CG2 3.94Å; T96-N105 HydrophobicContact CG2-CB 3.74Å; T96-L106 WeakPolarHBondContact CA-O 3.46Å; T96-D107 WeakPolarHBondContact CB-OD1 3.49Å; T96-D107 WeakPolarHBondContact CG2-OD1 3.47Å; T96-D107 PolarHBondContact OG1-OD1 2.95Å
97	I	94.2	Very high	86.9	Confident	2 Å²	2	59.4 Å²	59.4	1%	0.01	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	112.7	164	-58.7	176	0	0	0	107.9	F65 I70 V73 F95 F99 L106 L108 L123	F65-I97 HydrophobicContact CZ-CD1 4.47Å; I70-I97 HydrophobicContact CB-CG2 4.33Å; I70-I97 HydrophobicContact CD1-CG2 3.92Å; I70-I97 HydrophobicContact CG1-CG2 3.76Å; I70-I97 HydrophobicContact CG2-CG2 3.73Å; V73-I97 HydrophobicContact CG1-CG1 4.46Å; F95-I97 HydrophobicContact CD2-CG1 4.39Å; F95-I97 HydrophobicContact CE2-CD1 4.34Å; F95-I97 HydrophobicContact CE2-CG1 4.17Å; I97-F99 HydrophobicContact CG2-CE1 4.13Å; I97-F99 HydrophobicContact CG2-CE2 4.19Å; I97-F99 HydrophobicContact CG2-CZ 3.84Å; I97-L106 HydrophobicContact CB-CB 4.27Å; I97-L106 HydrophobicContact CD1-CD2 4.42Å; I97-L106 PolarHBondContact N-O 2.78Å; I97-L106 PolarHBondContact O-N 2.87Å; I97-L108 HydrophobicContact CD1-CD1 3.91Å; I97-L108 HydrophobicContact CG1-CD1 4.22Å; I97-L123 HydrophobicContact CD1-CD1 3.76Å; I97-L123 HydrophobicContact CG1-CD1 4.15Å
98	V	87.6	Confident	87.3	Confident	4 Å²	4	53.3 Å²	53.3	2%	0.024	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	126.7	177.9	-176.9	0	0	0	0	108.2	I70 A71 A72 R74 T96	I70-V98 CarbonylContact C-O 3.6Å; I70-V98 WeakPolarHBondContact CG2-O 2.98Å; A71-V98 HydrophobicContact CB-CG1 4.32Å; A71-V98 PolarHBondContact N-O 2.72Å; A72-V98 HydrophobicContact CB-CB 4.29Å; A72-V98 PolarHBondContact N-O 2.84Å; A72-V98 WeakPolarHBondContact O-CB 3.4Å; A72-V98 PolarHBondContact O-N 3.49Å; R74-V98 HydrophobicContact CG-CG2 4.4Å; T96-V98 HydrophobicContact CG2-CG2 3.94Å
99	F	85.2	Confident	87.8	Confident	4 Å²	4	47 Å²	47	2%	0.018	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	149.7	-179.5	-67.8	-79.3	0	0	0	112	F65 S69 I70 I97 R103 K104 L106	F65-F99 AromaticContact CD2-CE1 3.53Å; F65-F99 HydrophobicContact CD2-CE1 3.53Å; F65-F99 HydrophobicContact CD2-CZ 4.01Å; F65-F99 AromaticContact CE2-CE1 3.73Å; F65-F99 HydrophobicContact CE2-CE1 3.73Å; F65-F99 AromaticContact CE2-CZ 3.87Å; F65-F99 HydrophobicContact CE2-CZ 3.87Å; F65-F99 HydrophobicContact CG-CE1 4.08Å; F65-F99 HydrophobicContact CG-CZ 4.36Å; F65-F99 HydrophobicContact CZ-CE1 4.44Å; F65-F99 HydrophobicContact CZ-CZ 4.13Å; S69-F99 CarbonylContact O-C 3.57Å; S69-F99 WeakPolarHBondContact O-CA 3.49Å; S69-F99 WeakPolarHBondContact O-CD1 3.44Å; I70-F99 HydrophobicContact CG1-CE1 4.28Å; I97-F99 HydrophobicContact CG2-CE1 4.13Å; I97-F99 HydrophobicContact CG2-CE2 4.19Å; I97-F99 HydrophobicContact CG2-CZ 3.84Å; F99-R103 HydrophobicContact CB-CB 3.75Å; F99-R103 HydrophobicContact CB-CG 3.84Å; F99-R103 HydrophobicContact CD2-CG 3.74Å; F99-R103 VanDerWaalsContact CE1-CZ 3.43Å; F99-R103 HydrophobicContact CE2-CG 4.48Å; F99-R103 HydrophobicContact CG-CB 4.25Å; F99-R103 VanDerWaalsContact CG-CD 3.47Å; F99-R103 HydrophobicContact CG-CG 3.77Å; F99-K104 VanDerWaalsContact CD2-O 3.32Å; F99-K104 WeakPolarHBondContact CD2-O 3.33Å; F99-L106 HydrophobicContact CE2-CB 3.84Å; F99-L106 HydrophobicContact CZ-CB 4.44Å
100	K	75.6	Confident	88.1	Confident	58 Å²	58	40 Å²	40	25%	0.252	19%	0.185	S	C	.	.	S	Bend	trans	-62.7	148	166.8	-62.2	-179.8	-175.2	167.9	0	109.8	D68 S69 A71 D736	D68-K100 VanDerWaalsContact O-CD 3.3Å; D68-K100 WeakPolarHBondContact O-CD 3.48Å; D68-K100 WeakPolarHBondContact O-CE 3.48Å; D68-K100 PolarHBondContact O-NZ 2.89Å; D68-K100 IonicContact OD1-NZ 3.46Å; D68-K100 PolarHBondContact OD1-NZ 3.35Å; S69-K100 PolarHBondContact O-N 3.21Å; A71-K100 HydrophobicContact CB-CG 3.82Å; K100-D736 HydrophobicContact CD-CB 4.5Å
101	G	69.7	Low	88.3	Confident	16 Å²	16	42.3 Å²	42.3	17%	0.165	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.5	-149.2	179.2	0	0	0	0	0	115.6	R103 R328	G101-R103 VanDerWaalsContact C-N 3.33Å; G101-R103 PolarHBondContact O-N 3.37Å; G101-R328 PolarHBondContact O-NH1 3.42Å; G101-R328 PolarHBondContact O-NH2 3.49Å; G101-R328 VanDerWaalsContact O-NH2 3.13Å
102	R	64.4	Low	88.5	Confident	152 Å²	152	40.4 Å²	40.4	57%	0.574	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.6	2.7	-173.6	-64.4	-174.2	179.2	176.8	-1.6	114.8	K104 Q575	R102-K104 PolarHBondContact O-N 2.81Å; R102-Q575 PolarHBondContact NE-O 2.9Å; R102-Q575 PolarHBondContact NH2-O 3.46Å
103	R	77.4	Confident	88.7	Confident	90 Å²	90	43 Å²	43	34%	0.34	20%	0.203	S	C	.	.	P	Polyproline II helix	trans	-70.4	133.3	-177.8	178.2	171.4	170.8	172.1	-4.7	110.6	F65 F99 G101	F65-R103 VanDerWaalsContact CB-NH1 3.3Å; F99-R103 HydrophobicContact CB-CB 3.75Å; F99-R103 HydrophobicContact CB-CG 3.84Å; F99-R103 HydrophobicContact CD2-CG 3.74Å; F99-R103 VanDerWaalsContact CE1-CZ 3.43Å; F99-R103 HydrophobicContact CE2-CG 4.48Å; F99-R103 HydrophobicContact CG-CB 4.25Å; F99-R103 VanDerWaalsContact CG-CD 3.47Å; F99-R103 HydrophobicContact CG-CG 3.77Å; G101-R103 VanDerWaalsContact C-N 3.33Å; G101-R103 PolarHBondContact O-N 3.37Å
104	K	79.8	Confident	88.6	Confident	185 Å²	185	46.5 Å²	46.5	80%	0.804	22%	0.222	S	C	*	.	P	Polyproline II helix	trans	-62.3	141.4	176.1	-66.2	-172.4	178.1	-174.1	0	111.4	F99 R102	F99-K104 VanDerWaalsContact CD2-O 3.32Å; F99-K104 WeakPolarHBondContact CD2-O 3.33Å; R102-K104 PolarHBondContact O-N 2.81Å
105	N	87.5	Confident	88.6	Confident	45 Å²	45	49.1 Å²	49.1	24%	0.241	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-56.7	153.7	174.3	-66.1	-10	0	0	0	111.7	T96	T96-N105 HydrophobicContact CG2-CB 3.74Å
106	L	91.9	Very high	88.5	Confident	3 Å²	3	49.1 Å²	49.1	2%	0.016	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	103.6	174.1	-178.7	64.7	0	0	0	109.5	K30 L42 F65 T96 I97 F99 L108	K30-L106 HydrophobicContact CD-CD1 3.68Å; K30-L106 VanDerWaalsContact CE-CD1 3.47Å; K30-L106 HydrophobicContact CG-CD1 3.83Å; L42-L106 HydrophobicContact CD2-CD2 4.19Å; F65-L106 HydrophobicContact CZ-CD2 4.49Å; T96-L106 WeakPolarHBondContact CA-O 3.46Å; I97-L106 HydrophobicContact CB-CB 4.27Å; I97-L106 HydrophobicContact CD1-CD2 4.42Å; I97-L106 PolarHBondContact N-O 2.78Å; I97-L106 PolarHBondContact O-N 2.87Å; F99-L106 HydrophobicContact CE2-CB 3.84Å; F99-L106 HydrophobicContact CZ-CB 4.44Å; L106-L108 HydrophobicContact CD1-CD2 4.18Å; L106-L108 HydrophobicContact CD2-CD1 3.97Å; L106-L108 HydrophobicContact CD2-CD2 4.34Å; L106-L108 HydrophobicContact CD2-CG 4.45Å; L106-L108 HydrophobicContact CG-CD1 3.88Å; L106-L108 HydrophobicContact CG-CD2 3.95Å; L106-L108 HydrophobicContact CG-CG 3.91Å
107	D	94.5	Very high	88.4	Confident	18 Å²	18	49.5 Å²	49.5	10%	0.096	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	124.2	179.7	-70.5	-28.4	0	0	0	110.9	V31 S79 G81 L82 T96	V31-D107 HydrophobicContact CB-CB 4.36Å; V31-D107 PolarHBondContact N-O 3.39Å; S79-D107 WeakPolarHBondContact CB-OD1 3.38Å; S79-D107 PolarHBondContact OG-OD1 3.05Å; S79-D107 PolarHBondContact OG-OD2 3.14Å; G81-D107 WeakPolarHBondContact CA-OD2 3.45Å; L82-D107 HydrophobicContact CD1-CB 4.25Å; L82-D107 HydrophobicContact CD2-CB 3.75Å; L82-D107 HydrophobicContact CG-CB 3.68Å; T96-D107 WeakPolarHBondContact CB-OD1 3.49Å; T96-D107 WeakPolarHBondContact CG2-OD1 3.47Å; T96-D107 PolarHBondContact OG1-OD1 2.95Å
108	L	95.7	Very high	88.4	Confident	1 Å²	1	50.4 Å²	50.4	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	147.2	-167.1	-61.8	163	0	0	0	110.8	L28 L29 K30 L42 C94 F95 I97 L106	L28-L108 HydrophobicContact CB-CD2 3.97Å; L28-L108 HydrophobicContact CD1-CD1 4.04Å; L28-L108 HydrophobicContact CD1-CD2 4.37Å; L29-L108 WeakPolarHBondContact O-CA 3.42Å; K30-L108 HydrophobicContact CB-CD2 4.25Å; L42-L108 HydrophobicContact CD2-CD1 4.26Å; C94-L108 WeakPolarHBondContact CA-O 3.49Å; F95-L108 HydrophobicContact CD1-CB 4.3Å; F95-L108 HydrophobicContact CD2-CD1 4.35Å; F95-L108 HydrophobicContact CE1-CB 3.94Å; F95-L108 HydrophobicContact CE2-CB 4.17Å; F95-L108 HydrophobicContact CE2-CD1 3.56Å; F95-L108 HydrophobicContact CE2-CG 4.49Å; F95-L108 HydrophobicContact CZ-CB 3.88Å; F95-L108 HydrophobicContact CZ-CD1 3.74Å; F95-L108 HydrophobicContact CZ-CG 4.45Å; F95-L108 PolarHBondContact N-O 2.87Å; F95-L108 PolarHBondContact O-N 3Å; F95-L108 VanDerWaalsContact O-O 3.14Å; I97-L108 HydrophobicContact CD1-CD1 3.91Å; I97-L108 HydrophobicContact CG1-CD1 4.22Å; L106-L108 HydrophobicContact CD1-CD2 4.18Å; L106-L108 HydrophobicContact CD2-CD1 3.97Å; L106-L108 HydrophobicContact CD2-CD2 4.34Å; L106-L108 HydrophobicContact CD2-CG 4.45Å; L106-L108 HydrophobicContact CG-CD1 3.88Å; L106-L108 HydrophobicContact CG-CD2 3.95Å; L106-L108 HydrophobicContact CG-CG 3.91Å
109	I	95.9	Very high	88.8	Confident	12 Å²	12	50.3 Å²	50.3	6%	0.062	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	125.2	169.4	-43.3	-175.8	0	0	0	108.1	L29 V31 T86 V90 R93	L29-I109 HydrophobicContact CB-CB 4.17Å; L29-I109 HydrophobicContact CD2-CD1 4.28Å; L29-I109 PolarHBondContact N-O 3.38Å; L29-I109 PolarHBondContact O-N 3.33Å; V31-I109 HydrophobicContact CG2-CD1 3.81Å; V31-I109 HydrophobicContact CG2-CG1 3.81Å; T86-I109 HydrophobicContact CG2-CD1 3.8Å; V90-I109 HydrophobicContact CG2-CD1 4.36Å; R93-I109 HydrophobicContact CB-CG2 3.92Å; R93-I109 CarbonylContact O-C 3.49Å; R93-I109 WeakPolarHBondContact O-CA 3.28Å
110	A	95.8	Very high	89.2	Confident	3 Å²	3	50.4 Å²	50.4	3%	0.025	25%	0.245	C	C	.	.			trans	-82.4	167.9	174.2	0	0	0	0	0	111.9	L28 R93 F95 E115 A116	L28-A110 HydrophobicContact CD2-CB 3.92Å; R93-A110 PolarHBondContact NH1-O 2.95Å; R93-A110 PolarHBondContact O-N 2.73Å; F95-A110 HydrophobicContact CE1-CB 4.41Å; A110-E115 HydrophobicContact CB-CB 3.92Å; A110-A116 HydrophobicContact CB-CB 3.83Å
111	S	93.8	Very high	90	Very high	74 Å²	74	52.8 Å²	52.8	52%	0.517	25%	0.253	S	S	.	.	S	Bend	trans	-69.7	-38.9	179.9	77.3	0	0	0	0	111.3	R93 E115	R93-S111 WeakPolarHBondContact CD-O 3.21Å; R93-S111 PolarHBondContact NH1-O 2.98Å; R93-S111 VanDerWaalsContact NH1-O 3.1Å; S111-E115 WeakPolarHBondContact CB-OE2 3.33Å; S111-E115 PolarHBondContact N-OE2 3.21Å; S111-E115 PolarHBondContact OG-OE1 2.8Å; S111-E115 VanDerWaalsContact OG-OE1 3.14Å; S111-E115 PolarHBondContact OG-OE2 3.33Å
112	S	95	Very high	91	Very high	32 Å²	32	52.1 Å²	52.1	22%	0.224	25%	0.246	C	C	.	.	S	Bend	trans	-130.6	168.6	177.7	75	0	0	0	0	113	E114 E115 A116	S112-E114 VanDerWaalsContact C-N 3.34Å; S112-E114 PolarHBondContact OG-N 2.95Å; S112-E115 PolarHBondContact OG-N 2.92Å; S112-E115 VanDerWaalsContact OG-N 3.14Å; S112-A116 PolarHBondContact O-N 3.46Å
113	E	95.1	Very high	92.2	Very high	123 Å²	123	44.9 Å²	44.9	58%	0.575	22%	0.218	S	C	*	.	H	α-helix	trans	-65.4	-39.3	173.7	173.4	173.2	178.8	0	0	111.3	C92 E115 A116 G117	C92-E113 HydrophobicContact CB-CB 4.17Å; C92-E113 HydrophobicContact CB-CG 3.87Å; E113-E115 PolarHBondContact O-N 2.71Å; E113-A116 PolarHBondContact O-N 2.84Å; E113-G117 PolarHBondContact O-N 3.27Å
114	E	94.3	Very high	92.7	Very high	154 Å²	154	44.9 Å²	44.9	72%	0.72	22%	0.222	S	C	*	.	H	α-helix	trans	-61.8	-44.6	178	-67.5	146.5	163.8	0	0	111.2	S112 G117 S118	S112-E114 VanDerWaalsContact C-N 3.34Å; S112-E114 PolarHBondContact OG-N 2.95Å; E114-G117 PolarHBondContact O-N 3.06Å; E114-S118 PolarHBondContact O-N 3.06Å; E114-S118 PolarHBondContact O-OG 2.69Å; E114-S118 VanDerWaalsContact O-OG 3.1Å
115	E	95.3	Very high	92.8	Very high	55 Å²	55	39.2 Å²	39.2	26%	0.257	20%	0.198	S	C	.	.	H	α-helix	trans	-63.8	-43	176.4	-76.6	-170.9	176.4	0	0	112.2	F21 A110 S111 S112 E113 G117 S118 W119	F21-E115 HydrophobicContact CE2-CG 4.03Å; F21-E115 HydrophobicContact CZ-CB 4.04Å; F21-E115 HydrophobicContact CZ-CG 3.86Å; A110-E115 HydrophobicContact CB-CB 3.92Å; S111-E115 WeakPolarHBondContact CB-OE2 3.33Å; S111-E115 PolarHBondContact N-OE2 3.21Å; S111-E115 PolarHBondContact OG-OE1 2.8Å; S111-E115 VanDerWaalsContact OG-OE1 3.14Å; S111-E115 PolarHBondContact OG-OE2 3.33Å; S112-E115 PolarHBondContact OG-N 2.92Å; S112-E115 VanDerWaalsContact OG-N 3.14Å; E113-E115 PolarHBondContact O-N 2.71Å; E115-G117 VanDerWaalsContact C-N 3.29Å; E115-G117 PolarHBondContact O-N 2.62Å; E115-S118 PolarHBondContact O-N 2.78Å; E115-W119 VanDerWaalsContact O-CD1 3.22Å; E115-W119 PolarHBondContact O-N 2.84Å
116	A	94.9	Very high	92.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-59.3	-44.1	175.2	0	0	0	0	0	110.7	L75 F95 A110 S112 E113 W119 V120	L75-A116 HydrophobicContact CD1-CB 4.11Å; F95-A116 HydrophobicContact CD1-CB 4.27Å; A110-A116 HydrophobicContact CB-CB 3.83Å; S112-A116 PolarHBondContact O-N 3.46Å; E113-A116 PolarHBondContact O-N 2.84Å; A116-W119 PolarHBondContact O-N 3.05Å; A116-V120 VanDerWaalsContact O-CG2 3.28Å; A116-V120 WeakPolarHBondContact O-CG2 3.26Å; A116-V120 PolarHBondContact O-N 2.78Å
117	G	93.6	Very high	91.9	Very high	9 Å²	9	38.2 Å²	38.2	9%	0.093	19%	0.192	C	C	.	.	H	α-helix	trans	-58.2	-47	173.7	0	0	0	0	0	113	E113 E114 E115 V120 R121	E113-G117 PolarHBondContact O-N 3.27Å; E114-G117 PolarHBondContact O-N 3.06Å; E115-G117 VanDerWaalsContact C-N 3.29Å; E115-G117 PolarHBondContact O-N 2.62Å; G117-V120 PolarHBondContact O-N 2.91Å; G117-R121 WeakPolarHBondContact O-CB 3.24Å; G117-R121 WeakPolarHBondContact O-CG 3.32Å; G117-R121 PolarHBondContact O-N 2.81Å
118	S	93.5	Very high	90.9	Very high	21 Å²	21	39.9 Å²	39.9	15%	0.147	21%	0.205	C	C	.	.	H	α-helix	trans	-65.8	-40.8	179.5	-60.4	0	0	0	0	112.5	E114 E115 R121 G122	E114-S118 PolarHBondContact O-N 3.06Å; E114-S118 PolarHBondContact O-OG 2.69Å; E114-S118 VanDerWaalsContact O-OG 3.1Å; E115-S118 PolarHBondContact O-N 2.78Å; S118-R121 PolarHBondContact OG-NH2 3.47Å; S118-R121 VanDerWaalsContact OG-NH2 3.11Å; S118-G122 PolarHBondContact O-N 3.18Å
119	W	95.3	Very high	89.7	Confident	1 Å²	1	41 Å²	41	0%	0.004	21%	0.213	C	C	.	.	H	α-helix	trans	-58.9	-48.9	172.3	-87.2	107.1	0	0	0	111.8	F21 L22 L28 L42 F95 E115 A116 L123	F21-W119 AromaticContact CE1-CD1 3.48Å; F21-W119 VanDerWaalsContact CE1-CD1 3.48Å; F21-W119 HydrophobicContact CE1-CD2 4.16Å; F21-W119 AromaticContact CE1-CE2 3.87Å; F21-W119 AromaticContact CE1-CG 3.9Å; F21-W119 HydrophobicContact CE1-CG 3.9Å; F21-W119 AromaticContact CE1-NE1 3.43Å; F21-W119 AromaticContact CZ-CD1 3.86Å; F21-W119 AromaticContact CZ-NE1 3.65Å; L22-W119 HydrophobicContact CD2-CD2 3.77Å; L22-W119 HydrophobicContact CD2-CE3 3.12Å; L22-W119 HydrophobicContact CD2-CH2 4.04Å; L22-W119 HydrophobicContact CD2-CZ3 3.29Å; L28-W119 HydrophobicContact CD1-CD2 4.15Å; L28-W119 HydrophobicContact CD1-CZ2 4.09Å; L42-W119 HydrophobicContact CB-CH2 3.78Å; L42-W119 HydrophobicContact CB-CZ2 4.29Å; L42-W119 HydrophobicContact CB-CZ3 4.37Å; L42-W119 WeakPolarHBondContact O-CH2 3.42Å; F95-W119 HydrophobicContact CE1-CB 4Å; F95-W119 HydrophobicContact CE1-CG 4.21Å; F95-W119 HydrophobicContact CE2-CB 4.1Å; F95-W119 HydrophobicContact CZ-CB 3.65Å; F95-W119 HydrophobicContact CZ-CD2 4.27Å; F95-W119 AromaticContact CZ-CG 3.77Å; F95-W119 HydrophobicContact CZ-CG 3.77Å; E115-W119 VanDerWaalsContact O-CD1 3.22Å; E115-W119 PolarHBondContact O-N 2.84Å; A116-W119 PolarHBondContact O-N 3.05Å; W119-L123 HydrophobicContact CE3-CD1 4.16Å; W119-L123 HydrophobicContact CE3-CG 4.48Å; W119-L123 WeakPolarHBondContact O-CB 3.44Å; W119-L123 VanDerWaalsContact O-CG 3.27Å; W119-L123 WeakPolarHBondContact O-CG 3.28Å; W119-L123 PolarHBondContact O-N 3.09Å
120	V	93.9	Very high	88.3	Confident	6 Å²	6	42.2 Å²	42.2	4%	0.036	22%	0.22	C	C	.	.	H	α-helix	trans	-66.2	-51.5	-177.7	173.4	0	0	0	0	111	V73 L75 F95 A116 G117 G122 L123 Q124	V73-V120 HydrophobicContact CG1-CB 4.3Å; V73-V120 HydrophobicContact CG1-CG1 4.2Å; V73-V120 HydrophobicContact CG1-CG2 3.88Å; L75-V120 HydrophobicContact CB-CG1 4.31Å; L75-V120 HydrophobicContact CB-CG2 4.15Å; L75-V120 HydrophobicContact CD1-CG2 3.83Å; F95-V120 HydrophobicContact CB-CG2 3.59Å; F95-V120 HydrophobicContact CD2-CG2 4.11Å; F95-V120 HydrophobicContact CG-CG2 3.88Å; A116-V120 VanDerWaalsContact O-CG2 3.28Å; A116-V120 WeakPolarHBondContact O-CG2 3.26Å; A116-V120 PolarHBondContact O-N 2.78Å; G117-V120 PolarHBondContact O-N 2.91Å; V120-G122 PolarHBondContact O-N 3.01Å; V120-L123 PolarHBondContact O-N 3.44Å; V120-Q124 HydrophobicContact CG1-CG 4.27Å; V120-Q124 VanDerWaalsContact O-CB 3.29Å; V120-Q124 WeakPolarHBondContact O-CB 3.49Å; V120-Q124 WeakPolarHBondContact O-CG 3.49Å; V120-Q124 PolarHBondContact O-N 3.44Å
121	R	92.8	Very high	86.8	Confident	109 Å²	109	47 Å²	47	41%	0.411	24%	0.244	S	C	.	.	H	α-helix	trans	-61.8	-45.7	179.9	-70.6	-172.6	-52.9	-88.1	-7.7	111.7	D18 G117 S118 Q124 K125	D18-R121 IonicContact OD1-CZ 2.79Å; D18-R121 IonicContact OD1-NE 2.88Å; D18-R121 PolarHBondContact OD1-NE 3.43Å; D18-R121 IonicContact OD1-NH2 3.78Å; D18-R121 PolarHBondContact OD1-NH2 2.93Å; D18-R121 IonicContact OD2-NE 3.87Å; D18-R121 PolarHBondContact OD2-NE 3.09Å; G117-R121 WeakPolarHBondContact O-CB 3.24Å; G117-R121 WeakPolarHBondContact O-CG 3.32Å; G117-R121 PolarHBondContact O-N 2.81Å; S118-R121 PolarHBondContact OG-NH2 3.47Å; S118-R121 VanDerWaalsContact OG-NH2 3.11Å; R121-Q124 PolarHBondContact O-N 3.4Å; R121-K125 WeakPolarHBondContact O-CB 3.33Å; R121-K125 VanDerWaalsContact O-CG 3.22Å; R121-K125 WeakPolarHBondContact O-CG 3.32Å; R121-K125 PolarHBondContact O-N 2.92Å
122	G	89.6	Confident	85.3	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.01	25%	0.253	C	S	.	.	H	α-helix	trans	-60.6	-47.4	179.5	0	0	0	0	0	112.1	L22 S118 V120 K125 L126	L22-G122 VanDerWaalsContact CD1-C 3.42Å; S118-G122 PolarHBondContact O-N 3.18Å; V120-G122 PolarHBondContact O-N 3.01Å; G122-K125 PolarHBondContact O-N 3.21Å; G122-L126 WeakPolarHBondContact O-CG 3.35Å; G122-L126 PolarHBondContact O-N 2.96Å
123	L	90.2	Very high	83.7	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-67.4	-39.6	178.5	-71.3	172	0	0	0	111.8	L22 I51 I70 V73 I97 W119 V120 L126 I127	L22-L123 HydrophobicContact CD1-CD2 4.29Å; L22-L123 HydrophobicContact CD1-CG 4.33Å; L22-L123 HydrophobicContact CD2-CG 4.38Å; I51-L123 HydrophobicContact CD1-CD2 3.79Å; I51-L123 HydrophobicContact CG1-CD2 4.34Å; I70-L123 HydrophobicContact CD1-CD2 4.32Å; V73-L123 HydrophobicContact CG1-CD1 4.46Å; V73-L123 HydrophobicContact CG2-CB 3.84Å; V73-L123 HydrophobicContact CG2-CD1 4.19Å; I97-L123 HydrophobicContact CD1-CD1 3.76Å; I97-L123 HydrophobicContact CG1-CD1 4.15Å; W119-L123 HydrophobicContact CE3-CD1 4.16Å; W119-L123 HydrophobicContact CE3-CG 4.48Å; W119-L123 WeakPolarHBondContact O-CB 3.44Å; W119-L123 VanDerWaalsContact O-CG 3.27Å; W119-L123 WeakPolarHBondContact O-CG 3.28Å; W119-L123 PolarHBondContact O-N 3.09Å; V120-L123 PolarHBondContact O-N 3.44Å; L123-L126 PolarHBondContact O-N 3.06Å; L123-I127 WeakPolarHBondContact O-CB 3.43Å; L123-I127 WeakPolarHBondContact O-CD1 3.44Å; L123-I127 WeakPolarHBondContact O-CG1 3.48Å; L123-I127 PolarHBondContact O-N 3.07Å
124	Q	87.6	Confident	81.9	Confident	90 Å²	90	46.3 Å²	46.3	42%	0.421	24%	0.24	S	C	.	.	H	α-helix	trans	-63.1	-42.1	175.9	-76	174.4	-14.6	0	0	112	V73 V120 R121 I127 S128	V73-Q124 HydrophobicContact CB-CG 4.28Å; V73-Q124 PolarHBondContact O-NE2 2.9Å; V120-Q124 HydrophobicContact CG1-CG 4.27Å; V120-Q124 VanDerWaalsContact O-CB 3.29Å; V120-Q124 WeakPolarHBondContact O-CB 3.49Å; V120-Q124 WeakPolarHBondContact O-CG 3.49Å; V120-Q124 PolarHBondContact O-N 3.44Å; R121-Q124 PolarHBondContact O-N 3.4Å; Q124-I127 PolarHBondContact O-N 3.45Å; Q124-S128 WeakPolarHBondContact O-CB 3.38Å; Q124-S128 PolarHBondContact O-N 3.13Å; Q124-S128 PolarHBondContact O-OG 2.98Å
125	K	83.2	Confident	80	Confident	67 Å²	67	40.2 Å²	40.2	29%	0.291	22%	0.216	S	C	.	.	H	α-helix	trans	-63.4	-40.1	174.4	-72.3	168.7	174.2	179.2	0	112.1	M13 D16 D18 R121 G122 S128 S129	M13-K125 HydrophobicContact CE-CB 3.43Å; M13-K125 VanDerWaalsContact CE-CB 3.43Å; M13-K125 HydrophobicContact CE-CD 3.78Å; M13-K125 HydrophobicContact CE-CG 4.17Å; M13-K125 HydrophobicContact SD-CB 4.2Å; D16-K125 IonicContact OD1-NZ 3.98Å; D16-K125 PolarHBondContact OD1-NZ 3.44Å; D16-K125 IonicContact OD2-NZ 3.09Å; D16-K125 PolarHBondContact OD2-NZ 2.96Å; D18-K125 IonicContact OD2-NZ 3.74Å; D18-K125 PolarHBondContact OD2-NZ 3Å; R121-K125 WeakPolarHBondContact O-CB 3.33Å; R121-K125 VanDerWaalsContact O-CG 3.22Å; R121-K125 WeakPolarHBondContact O-CG 3.32Å; R121-K125 PolarHBondContact O-N 2.92Å; G122-K125 PolarHBondContact O-N 3.21Å; K125-S128 WeakPolarHBondContact CA-OG 3.17Å; K125-S128 PolarHBondContact O-N 3.35Å; K125-S128 PolarHBondContact O-OG 3.16Å; K125-S129 WeakPolarHBondContact O-CB 3.35Å; K125-S129 PolarHBondContact O-N 3.21Å
126	L	80.8	Confident	78.1	Confident	3 Å²	3	39.1 Å²	39.1	2%	0.016	21%	0.212	C	C	.	.	H	α-helix	trans	-65.3	-43.3	174.9	-75.9	169.4	0	0	0	112	L19 L22 L44 C48 V67 G122 L123 S129 L130	L19-L126 HydrophobicContact CD1-CD1 4.25Å; L19-L126 HydrophobicContact CD1-CD2 3.76Å; L19-L126 HydrophobicContact CD1-CG 4.2Å; L22-L126 HydrophobicContact CD1-CD1 3.56Å; L44-L126 HydrophobicContact CD1-CD1 3.77Å; L44-L126 HydrophobicContact CD2-CD1 3.56Å; L44-L126 HydrophobicContact CD2-CD2 4.42Å; L44-L126 HydrophobicContact CG-CD1 4.29Å; C48-L126 HydrophobicContact CB-CD2 4.18Å; V67-L126 HydrophobicContact CG1-CB 4.09Å; G122-L126 WeakPolarHBondContact O-CG 3.35Å; G122-L126 PolarHBondContact O-N 2.96Å; L123-L126 PolarHBondContact O-N 3.06Å; L126-S129 PolarHBondContact O-N 3.42Å; L126-L130 WeakPolarHBondContact O-CB 3.42Å; L126-L130 VanDerWaalsContact O-CG 3.23Å; L126-L130 WeakPolarHBondContact O-CG 3.43Å; L126-L130 PolarHBondContact O-N 2.74Å
127	I	78.5	Confident	76.5	Confident	23 Å²	23	44 Å²	44	12%	0.118	24%	0.235	C	C	.	.	H	α-helix	trans	-63	-44.5	176.7	-67.8	161	0	0	0	110.2	V67 I70 V73 L123 Q124 L130 N131	V67-I127 HydrophobicContact CG1-CG1 3.92Å; I70-I127 HydrophobicContact CB-CD1 3.88Å; I70-I127 HydrophobicContact CB-CG1 4.41Å; I70-I127 HydrophobicContact CG2-CD1 3.53Å; V73-I127 HydrophobicContact CG2-CD1 3.91Å; L123-I127 WeakPolarHBondContact O-CB 3.43Å; L123-I127 WeakPolarHBondContact O-CD1 3.44Å; L123-I127 WeakPolarHBondContact O-CG1 3.48Å; L123-I127 PolarHBondContact O-N 3.07Å; Q124-I127 PolarHBondContact O-N 3.45Å; I127-L130 PolarHBondContact O-N 3.25Å; I127-N131 WeakPolarHBondContact O-CB 3.41Å; I127-N131 PolarHBondContact O-N 3.32Å; I127-N131 PolarHBondContact O-ND2 3.41Å; I127-N131 VanDerWaalsContact O-ND2 3.16Å
128	S	73.5	Confident	74.9	Confident	53 Å²	53	44 Å²	44	37%	0.371	23%	0.234	S	C	.	.	H	α-helix	trans	-66.9	-42.6	178	65.1	0	0	0	0	112.1	Q124 K125 N131 N132	Q124-S128 WeakPolarHBondContact O-CB 3.38Å; Q124-S128 PolarHBondContact O-N 3.13Å; Q124-S128 PolarHBondContact O-OG 2.98Å; K125-S128 WeakPolarHBondContact CA-OG 3.17Å; K125-S128 PolarHBondContact O-N 3.35Å; K125-S128 PolarHBondContact O-OG 3.16Å; S128-N131 PolarHBondContact O-N 2.98Å; S128-N132 VanDerWaalsContact O-CB 3.23Å; S128-N132 WeakPolarHBondContact O-CB 3.45Å; S128-N132 PolarHBondContact O-N 2.72Å; S128-N132 PolarHBondContact O-ND2 2.86Å
129	S	71.3	Confident	73.4	Confident	26 Å²	26	44.8 Å²	44.8	18%	0.182	24%	0.235	C	C	.	.	H	α-helix	trans	-57.4	-50.4	174.3	177.9	0	0	0	0	110.8	K125 L126 N131 N132 L133	K125-S129 WeakPolarHBondContact O-CB 3.35Å; K125-S129 PolarHBondContact O-N 3.21Å; L126-S129 PolarHBondContact O-N 3.42Å; S129-N131 VanDerWaalsContact C-N 3.33Å; S129-N131 PolarHBondContact O-N 2.9Å; S129-N132 CarbonylContact O-C 3.5Å; S129-N132 PolarHBondContact O-N 3.25Å; S129-N132 VanDerWaalsContact O-N 3.07Å; S129-L133 WeakPolarHBondContact O-CG 3.26Å; S129-L133 PolarHBondContact O-N 2.66Å
130	L	66.7	Low	71.9	Confident	37 Å²	37	47.8 Å²	47.8	19%	0.194	25%	0.251	C	S	.	.	H	α-helix	trans	-62.2	-37.6	177.3	-71.4	170.6	0	0	0	113.2	K49 V67 L126 I127 N132 L133	K49-L130 HydrophobicContact CD-CD2 4.39Å; K49-L130 HydrophobicContact CG-CD2 4.05Å; V67-L130 HydrophobicContact CB-CD1 3.86Å; V67-L130 HydrophobicContact CG1-CD1 3.64Å; L126-L130 WeakPolarHBondContact O-CB 3.42Å; L126-L130 VanDerWaalsContact O-CG 3.23Å; L126-L130 WeakPolarHBondContact O-CG 3.43Å; L126-L130 PolarHBondContact O-N 2.74Å; I127-L130 PolarHBondContact O-N 3.25Å; L130-N132 VanDerWaalsContact C-N 3.27Å; L130-N132 PolarHBondContact O-N 3.27Å; L130-L133 HydrophobicContact CD2-CD1 4.02Å
131	N	63.4	Low	70.4	Confident	102 Å²	102	48.1 Å²	48.1	55%	0.545	25%	0.252	S	S	.	.	H	α-helix	trans	-71.5	-23.1	176.3	-72.1	-24.4	0	0	0	113	I127 S128 S129	I127-N131 WeakPolarHBondContact O-CB 3.41Å; I127-N131 PolarHBondContact O-N 3.32Å; I127-N131 PolarHBondContact O-ND2 3.41Å; I127-N131 VanDerWaalsContact O-ND2 3.16Å; S128-N131 PolarHBondContact O-N 2.98Å; S129-N131 VanDerWaalsContact C-N 3.33Å; S129-N131 PolarHBondContact O-N 2.9Å
132	N	61.8	Low	69	Low	129 Å²	129	46.8 Å²	46.8	69%	0.69	25%	0.247	S	C	*	.	H	α-helix	trans	-99.4	-5.3	-177.3	-69.6	-17	0	0	0	113.6	S128 S129 L130 S134	S128-N132 VanDerWaalsContact O-CB 3.23Å; S128-N132 WeakPolarHBondContact O-CB 3.45Å; S128-N132 PolarHBondContact O-N 2.72Å; S128-N132 PolarHBondContact O-ND2 2.86Å; S129-N132 CarbonylContact O-C 3.5Å; S129-N132 PolarHBondContact O-N 3.25Å; S129-N132 VanDerWaalsContact O-N 3.07Å; L130-N132 VanDerWaalsContact C-N 3.27Å; L130-N132 PolarHBondContact O-N 3.27Å; N132-S134 PolarHBondContact O-N 2.85Å
133	L	61.6	Low	67.7	Low	37 Å²	37	46.8 Å²	46.8	19%	0.194	25%	0.247	C	C	.	.	S	Bend	trans	-58	137	171.2	-69.9	176.7	0	0	0	109.4	S129 L130 Q137 A138	S129-L133 WeakPolarHBondContact O-CG 3.26Å; S129-L133 PolarHBondContact O-N 2.66Å; L130-L133 HydrophobicContact CD2-CD1 4.02Å; L133-Q137 HydrophobicContact CB-CB 4.31Å; L133-Q137 HydrophobicContact CD2-CB 4.1Å; L133-A138 HydrophobicContact CB-CB 4.27Å; L133-A138 HydrophobicContact CD1-CB 4.49Å
134	S	57.1	Low	66.6	Low	49 Å²	49	51.1 Å²	51.1	34%	0.343	27%	0.266	S	S	.	.			trans	-61.2	156.5	166.7	75.6	0	0	0	0	109.6	N132 D136 Q137 A138	N132-S134 PolarHBondContact O-N 2.85Å; S134-D136 PolarHBondContact O-N 3.28Å; S134-Q137 VanDerWaalsContact N-OE1 3.14Å; S134-Q137 PolarHBondContact O-N 3.33Å; S134-Q137 VanDerWaalsContact O-N 3.17Å; S134-Q137 VanDerWaalsContact OG-CG 3.27Å; S134-Q137 WeakPolarHBondContact OG-CG 3.4Å; S134-Q137 PolarHBondContact OG-N 3.1Å; S134-Q137 VanDerWaalsContact OG-N 3.17Å; S134-A138 WeakPolarHBondContact O-CB 3.26Å; S134-A138 PolarHBondContact O-N 3.44Å
135	A	54.5	Low	65.4	Low	27 Å²	27	47.4 Å²	47.4	22%	0.223	25%	0.25	C	C	.	.	H	α-helix	trans	-55.1	-38.8	178.3	0	0	0	0	0	111.4	A138 K139 H277	A135-A138 PolarHBondContact O-N 3.39Å; A135-K139 VanDerWaalsContact O-CB 3.28Å; A135-K139 WeakPolarHBondContact O-CB 3.31Å; A135-K139 PolarHBondContact O-N 3.47Å; A135-H277 HydrophobicContact CB-CB 4.29Å
136	D	56.3	Low	64.4	Low	31 Å²	31	44.5 Å²	44.5	17%	0.166	24%	0.238	C	C	.	.	H	α-helix	trans	-67.8	-43.8	177.7	-61.1	-38.6	0	0	0	112.6	S134 A138 K139 D140 H277	S134-D136 PolarHBondContact O-N 3.28Å; D136-A138 VanDerWaalsContact C-N 3.32Å; D136-A138 PolarHBondContact O-N 2.92Å; D136-K139 WeakPolarHBondContact O-CB 3.4Å; D136-K139 PolarHBondContact O-N 3.07Å; D136-D140 PolarHBondContact O-N 2.89Å; D136-H277 IonicContact OD1-CD2 2.78Å; D136-H277 PolarHBondContact OD1-CD2 3.16Å; D136-H277 IonicContact OD1-CG 3.14Å; D136-H277 IonicContact OD1-NE2 2.73Å
137	Q	61.7	Low	63.8	Low	103 Å²	103	45.1 Å²	45.1	48%	0.481	24%	0.241	S	C	.	.	H	α-helix	trans	-64.4	-38	176.2	-71.6	170.6	-23.4	0	0	112.1	L133 S134 K139 H141	L133-Q137 HydrophobicContact CB-CB 4.31Å; L133-Q137 HydrophobicContact CD2-CB 4.1Å; S134-Q137 VanDerWaalsContact N-OE1 3.14Å; S134-Q137 PolarHBondContact O-N 3.33Å; S134-Q137 VanDerWaalsContact O-N 3.17Å; S134-Q137 VanDerWaalsContact OG-CG 3.27Å; S134-Q137 WeakPolarHBondContact OG-CG 3.4Å; S134-Q137 PolarHBondContact OG-N 3.1Å; S134-Q137 VanDerWaalsContact OG-N 3.17Å; Q137-K139 VanDerWaalsContact C-N 3.34Å; Q137-H141 WeakPolarHBondContact O-CB 3.17Å; Q137-H141 PolarHBondContact O-N 2.99Å; Q137-H141 VanDerWaalsContact O-N 3.12Å
138	A	59	Low	63.2	Low	9 Å²	9	48.7 Å²	48.7	7%	0.074	25%	0.253	C	S	.	.	H	α-helix	trans	-65.2	-40	175.1	0	0	0	0	0	111.5	L133 S134 A135 D136 W142	L133-A138 HydrophobicContact CB-CB 4.27Å; L133-A138 HydrophobicContact CD1-CB 4.49Å; S134-A138 WeakPolarHBondContact O-CB 3.26Å; S134-A138 PolarHBondContact O-N 3.44Å; A135-A138 PolarHBondContact O-N 3.39Å; D136-A138 VanDerWaalsContact C-N 3.32Å; D136-A138 PolarHBondContact O-N 2.92Å; A138-W142 WeakPolarHBondContact O-CB 3.48Å; A138-W142 PolarHBondContact O-N 2.74Å; A138-W142 VanDerWaalsContact O-N 3.07Å
139	K	61.7	Low	62.9	Low	37 Å²	37	52 Å²	52	16%	0.161	26%	0.261	C	S	.	.	H	α-helix	trans	-63.6	-57.4	177	-172.3	-166	173.2	-174.2	0	111.8	A135 D136 Q137 H141 W142 I143	A135-K139 VanDerWaalsContact O-CB 3.28Å; A135-K139 WeakPolarHBondContact O-CB 3.31Å; A135-K139 PolarHBondContact O-N 3.47Å; D136-K139 WeakPolarHBondContact O-CB 3.4Å; D136-K139 PolarHBondContact O-N 3.07Å; Q137-K139 VanDerWaalsContact C-N 3.34Å; K139-H141 VanDerWaalsContact C-N 3.35Å; K139-H141 PolarHBondContact O-N 2.78Å; K139-W142 PolarHBondContact O-N 2.67Å; K139-W142 VanDerWaalsContact O-N 3.14Å; K139-I143 HydrophobicContact CG-CD1 4.32Å; K139-I143 WeakPolarHBondContact O-CG1 3.2Å; K139-I143 PolarHBondContact O-N 2.94Å
140	D	63.9	Low	62.9	Low	65 Å²	65	50.8 Å²	50.8	35%	0.348	25%	0.252	S	S	.	.	H	α-helix	trans	-59.6	-47.6	-178	-69.8	-7.1	0	0	0	110.5	D136 W142 I143 F144 Y203	D136-D140 PolarHBondContact O-N 2.89Å; D140-W142 VanDerWaalsContact C-N 3.3Å; D140-W142 PolarHBondContact O-N 3.07Å; D140-I143 PolarHBondContact O-N 3.43Å; D140-I143 VanDerWaalsContact O-N 3.17Å; D140-F144 HydrophobicContact CB-CD2 4.46Å; D140-F144 HydrophobicContact CB-CE2 4.34Å; D140-F144 WeakPolarHBondContact O-CD2 3.43Å; D140-F144 PolarHBondContact O-N 3.28Å; D140-Y203 PolarHBondContact OD1-OH 3.33Å
141	H	62.8	Low	63.3	Low	13 Å²	13	50.1 Å²	50.1	6%	0.06	25%	0.249	C	C	.	.	H	α-helix	trans	-62.7	-36.4	179.1	-172	-42.4	0	0	0	112.2	K49 Q137 K139 S145	K49-H141 WeakPolarHBondContact CE-CE1 3.41Å; K49-H141 VanDerWaalsContact CE-ND1 3.29Å; K49-H141 WeakPolarHBondContact CE-ND1 3.4Å; K49-H141 PolarHBondContact NZ-CE1 2.83Å; K49-H141 PolarHBondContact NZ-ND1 2.79Å; Q137-H141 WeakPolarHBondContact O-CB 3.17Å; Q137-H141 PolarHBondContact O-N 2.99Å; Q137-H141 VanDerWaalsContact O-N 3.12Å; K139-H141 VanDerWaalsContact C-N 3.35Å; K139-H141 PolarHBondContact O-N 2.78Å; H141-S145 WeakPolarHBondContact O-CB 2.88Å; H141-S145 PolarHBondContact O-N 2.64Å
142	W	63.7	Low	63.7	Low	81 Å²	81	52.4 Å²	52.4	31%	0.307	25%	0.254	S	S	.	.	H	α-helix	trans	-64.8	-44	175.8	178.8	79.8	0	0	0	111.3	A138 K139 D140 S145 C146 L170 Q635 F675	A138-W142 WeakPolarHBondContact O-CB 3.48Å; A138-W142 PolarHBondContact O-N 2.74Å; A138-W142 VanDerWaalsContact O-N 3.07Å; K139-W142 PolarHBondContact O-N 2.67Å; K139-W142 VanDerWaalsContact O-N 3.14Å; D140-W142 VanDerWaalsContact C-N 3.3Å; D140-W142 PolarHBondContact O-N 3.07Å; W142-S145 WeakPolarHBondContact O-CB 3.33Å; W142-S145 PolarHBondContact O-N 3.41Å; W142-S145 VanDerWaalsContact O-N 3.13Å; W142-C146 PolarHBondContact O-N 3.45Å; W142-L170 HydrophobicContact CE3-CD2 4Å; W142-L170 HydrophobicContact CH2-CB 4.47Å; W142-L170 HydrophobicContact CH2-CD2 3.55Å; W142-L170 HydrophobicContact CZ2-CD2 4.36Å; W142-L170 HydrophobicContact CZ3-CD2 3.35Å; W142-Q635 VanDerWaalsContact CE3-CD 3.49Å; W142-Q635 HydrophobicContact CE3-CG 4.4Å; W142-Q635 HydrophobicContact CZ3-CB 4.18Å; W142-Q635 HydrophobicContact CZ3-CG 3.96Å; W142-F675 HydrophobicContact CZ3-CD2 4.17Å; W142-F675 AromaticContact CZ3-CE2 3.96Å; W142-F675 HydrophobicContact CZ3-CE2 3.96Å
143	I	62.8	Low	64.4	Low	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-62.6	-46.6	178.4	-61.2	168.4	0	0	0	110.9	K139 D140 S145 C146 L147 F166 Y203 T207 F675	K139-I143 HydrophobicContact CG-CD1 4.32Å; K139-I143 WeakPolarHBondContact O-CG1 3.2Å; K139-I143 PolarHBondContact O-N 2.94Å; D140-I143 PolarHBondContact O-N 3.43Å; D140-I143 VanDerWaalsContact O-N 3.17Å; I143-S145 PolarHBondContact O-N 3.06Å; I143-C146 WeakPolarHBondContact O-CA 3.46Å; I143-C146 WeakPolarHBondContact O-CB 3.38Å; I143-C146 PolarHBondContact O-N 3Å; I143-L147 HydrophobicContact CG2-CD1 4.48Å; I143-L147 PolarHBondContact O-N 3.41Å; I143-F166 HydrophobicContact CG2-CE2 4.2Å; I143-F166 HydrophobicContact CG2-CZ 3.72Å; I143-Y203 HydrophobicContact CB-CE2 4.05Å; I143-Y203 HydrophobicContact CD1-CE2 3.63Å; I143-Y203 HydrophobicContact CG1-CE2 4.45Å; I143-Y203 HydrophobicContact CG2-CD2 3.9Å; I143-Y203 HydrophobicContact CG2-CE2 3.64Å; I143-T207 HydrophobicContact CD1-CG2 3.91Å; I143-F675 HydrophobicContact CD1-CE2 4.33Å; I143-F675 HydrophobicContact CD1-CZ 4.06Å; I143-F675 HydrophobicContact CG1-CE2 4.34Å
144	F	66.3	Low	64.9	Low	92 Å²	92	57.3 Å²	57.3	40%	0.404	27%	0.272	S	S	.	.	H	α-helix	trans	-61.5	-30.7	175.2	-74.3	-65.1	0	0	0	113.3	D140 L147 R148	D140-F144 HydrophobicContact CB-CD2 4.46Å; D140-F144 HydrophobicContact CB-CE2 4.34Å; D140-F144 WeakPolarHBondContact O-CD2 3.43Å; D140-F144 PolarHBondContact O-N 3.28Å; F144-L147 HydrophobicContact CD1-CD1 3.83Å; F144-L147 HydrophobicContact CE1-CD1 4.23Å; F144-R148 PolarHBondContact O-N 3.37Å; F144-R148 VanDerWaalsContact O-N 3.12Å
145	S	62	Low	65.8	Low	11 Å²	11	58.3 Å²	58.3	8%	0.077	27%	0.274	C	S	.	.	H	α-helix	trans	-67.8	-40.8	172.3	-175.4	0	0	0	0	111.7	H141 W142 I143 R148 K149	H141-S145 WeakPolarHBondContact O-CB 2.88Å; H141-S145 PolarHBondContact O-N 2.64Å; W142-S145 WeakPolarHBondContact O-CB 3.33Å; W142-S145 PolarHBondContact O-N 3.41Å; W142-S145 VanDerWaalsContact O-N 3.13Å; I143-S145 PolarHBondContact O-N 3.06Å; S145-R148 PolarHBondContact O-N 3.06Å; S145-K149 WeakPolarHBondContact O-CG 3.37Å; S145-K149 PolarHBondContact O-N 3.24Å
146	C	62.7	Low	66.7	Low	6 Å²	6	61.3 Å²	61.3	4%	0.041	29%	0.293	C	S	.	.	H	α-helix	trans	-64.4	-41.1	174.4	-71.7	0	0	0	0	111.9	W142 I143 R148 K149 A150 F166 L169 L170	W142-C146 PolarHBondContact O-N 3.45Å; I143-C146 WeakPolarHBondContact O-CA 3.46Å; I143-C146 WeakPolarHBondContact O-CB 3.38Å; I143-C146 PolarHBondContact O-N 3Å; C146-R148 PolarHBondContact O-N 2.97Å; C146-K149 PolarHBondContact O-N 2.91Å; C146-A150 WeakPolarHBondContact O-CB 3.42Å; C146-A150 PolarHBondContact O-N 3.19Å; C146-F166 HydrophobicContact CB-CD2 3.91Å; C146-F166 HydrophobicContact CB-CE2 3.62Å; C146-L169 HydrophobicContact CB-CB 4.44Å; C146-L170 HydrophobicContact CB-CD2 3.76Å
147	L	67.8	Low	67.9	Low	17 Å²	17	62.9 Å²	62.9	9%	0.089	30%	0.298	C	S	.	.	H	α-helix	trans	-57.3	-49.3	174.6	-74.3	170	0	0	0	110.5	I143 F144 K149 A150 D151 L158 F166 I199	I143-L147 HydrophobicContact CG2-CD1 4.48Å; I143-L147 PolarHBondContact O-N 3.41Å; F144-L147 HydrophobicContact CD1-CD1 3.83Å; F144-L147 HydrophobicContact CE1-CD1 4.23Å; L147-K149 VanDerWaalsContact C-N 3.32Å; L147-K149 PolarHBondContact O-N 3.12Å; L147-A150 WeakPolarHBondContact O-CB 3.34Å; L147-A150 PolarHBondContact O-N 3Å; L147-A150 VanDerWaalsContact O-N 3.1Å; L147-D151 PolarHBondContact O-N 3.41Å; L147-L158 HydrophobicContact CD2-CD1 3.69Å; L147-F166 HydrophobicContact CB-CD2 4.4Å; L147-F166 HydrophobicContact CB-CE2 4.08Å; L147-F166 HydrophobicContact CD1-CZ 4.42Å; L147-F166 HydrophobicContact CD2-CD1 4.03Å; L147-F166 HydrophobicContact CD2-CD2 3.7Å; L147-F166 HydrophobicContact CD2-CE1 3.74Å; L147-F166 HydrophobicContact CD2-CE2 3.41Å; L147-F166 VanDerWaalsContact CD2-CE2 3.41Å; L147-F166 HydrophobicContact CD2-CG 3.98Å; L147-F166 HydrophobicContact CD2-CZ 3.37Å; L147-F166 HydrophobicContact CG-CD2 3.97Å; L147-F166 HydrophobicContact CG-CE1 4.41Å; L147-F166 HydrophobicContact CG-CE2 3.34Å; L147-F166 HydrophobicContact CG-CZ 3.56Å; L147-F166 VanDerWaalsContact N-CE2 3.33Å; L147-I199 HydrophobicContact CD1-CG2 4.37Å
148	R	66.7	Low	68.9	Low	97 Å²	97	58.2 Å²	58.2	37%	0.366	28%	0.277	S	S	.	.	H	α-helix	trans	-62.3	-33.7	177.1	-77.2	-173.6	-85.3	-178.2	-1.8	113.9	E7 F144 S145 C146 A150	E7-R148 IonicContact OE1-CZ 3.65Å; E7-R148 IonicContact OE1-NH1 3.76Å; E7-R148 PolarHBondContact OE1-NH1 3.43Å; F144-R148 PolarHBondContact O-N 3.37Å; F144-R148 VanDerWaalsContact O-N 3.12Å; S145-R148 PolarHBondContact O-N 3.06Å; C146-R148 PolarHBondContact O-N 2.97Å; R148-A150 VanDerWaalsContact C-N 3.32Å
149	K	67.7	Low	70.2	Confident	122 Å²	122	59.6 Å²	59.6	53%	0.53	29%	0.286	S	S	.	.	H	α-helix	trans	-74.1	-26.2	175.9	-75.2	173	-176.4	167.4	0	112.8	S145 C146 L147 L169	S145-K149 WeakPolarHBondContact O-CG 3.37Å; S145-K149 PolarHBondContact O-N 3.24Å; C146-K149 PolarHBondContact O-N 2.91Å; L147-K149 VanDerWaalsContact C-N 3.32Å; L147-K149 PolarHBondContact O-N 3.12Å; K149-L169 HydrophobicContact CB-CD1 3.9Å
150	A	71.3	Confident	71.3	Confident	1 Å²	1	60.8 Å²	60.8	1%	0.008	29%	0.292	C	S	.	.	H	α-helix	trans	-79.9	-36.3	178.5	0	0	0	0	0	111.9	C146 L147 R148 K152 L158 E162 F166 L169	C146-A150 WeakPolarHBondContact O-CB 3.42Å; C146-A150 PolarHBondContact O-N 3.19Å; L147-A150 WeakPolarHBondContact O-CB 3.34Å; L147-A150 PolarHBondContact O-N 3Å; L147-A150 VanDerWaalsContact O-N 3.1Å; R148-A150 VanDerWaalsContact C-N 3.32Å; A150-K152 PolarHBondContact O-N 2.97Å; A150-L158 HydrophobicContact CB-CD2 4.44Å; A150-E162 WeakPolarHBondContact O-CG 3.11Å; A150-F166 HydrophobicContact CB-CB 3.55Å; A150-F166 HydrophobicContact CB-CD2 4.34Å; A150-F166 HydrophobicContact CB-CG 4.41Å; A150-L169 HydrophobicContact CB-CD1 4.39Å
151	D	74.1	Confident	72.2	Confident	24 Å²	24	63.3 Å²	63.3	13%	0.128	30%	0.302	C	S	.	.			trans	-66.4	94.4	170.3	178.5	0	0	0	0	110.3	L147 N153 K154 D155 S156	L147-D151 PolarHBondContact O-N 3.41Å; D151-N153 PolarHBondContact OD1-N 3.38Å; D151-N153 PolarHBondContact OD1-OD1 2.92Å; D151-K154 WeakPolarHBondContact OD1-CA 3.18Å; D151-K154 PolarHBondContact OD1-N 3.45Å; D151-K154 WeakPolarHBondContact OD2-CA 3.38Å; D151-D155 PolarHBondContact OD1-N 3.32Å; D151-D155 PolarHBondContact OD2-N 3.07Å; D151-S156 WeakPolarHBondContact OD2-CA 3.46Å; D151-S156 PolarHBondContact OD2-N 3.09Å
152	K	73	Confident	73.2	Confident	149 Å²	149	63.5 Å²	63.5	65%	0.648	30%	0.303	S	S	*	.	S	Bend	trans	-82.6	-31.9	-174.7	-75.1	-174.8	-178.4	176.1	0	112.4	A150 E162	A150-K152 PolarHBondContact O-N 2.97Å; K152-E162 PolarHBondContact N-OE1 3.12Å
153	N	75	Confident	74.2	Confident	94 Å²	94	59.6 Å²	59.6	50%	0.503	29%	0.288	S	S	.	.	S	Bend	trans	-89.5	-6.3	-176.5	68.3	3.1	0	0	0	112.3	D151 D155	D151-N153 PolarHBondContact OD1-N 3.38Å; D151-N153 PolarHBondContact OD1-OD1 2.92Å; N153-D155 VanDerWaalsContact CG-CG 3.45Å; N153-D155 PolarHBondContact ND2-OD2 2.72Å; N153-D155 PolarHBondContact O-N 2.67Å; N153-D155 WeakPolarHBondContact OD1-CB 3.43Å; N153-D155 PolarHBondContact OD1-N 3.09Å; N153-D155 VanDerWaalsContact OD1-N 3.11Å; N153-D155 PolarHBondContact OD1-OD1 3.16Å; N153-D155 PolarHBondContact OD1-OD2 3.29Å
154	K	72.8	Confident	75.1	Confident	175 Å²	175	61.2 Å²	61.2	76%	0.761	30%	0.295	S	S	*	.			trans	60.1	30.7	179	-57.1	-174	175.2	-169.5	0	112.8	D151 S156	D151-K154 WeakPolarHBondContact OD1-CA 3.18Å; D151-K154 PolarHBondContact OD1-N 3.45Å; D151-K154 WeakPolarHBondContact OD2-CA 3.38Å; K154-S156 VanDerWaalsContact C-N 3.31Å
155	D	75.8	Confident	75.7	Confident	71 Å²	71	57.7 Å²	57.7	38%	0.38	28%	0.28	S	S	.	.	S	Bend	trans	-89.2	1.1	-179.5	75.4	3.2	0	0	0	113.3	D151 N153 K157	D151-D155 PolarHBondContact OD1-N 3.32Å; D151-D155 PolarHBondContact OD2-N 3.07Å; N153-D155 VanDerWaalsContact CG-CG 3.45Å; N153-D155 PolarHBondContact ND2-OD2 2.72Å; N153-D155 PolarHBondContact O-N 2.67Å; N153-D155 WeakPolarHBondContact OD1-CB 3.43Å; N153-D155 PolarHBondContact OD1-N 3.09Å; N153-D155 VanDerWaalsContact OD1-N 3.11Å; N153-D155 PolarHBondContact OD1-OD1 3.16Å; N153-D155 PolarHBondContact OD1-OD2 3.29Å; D155-K157 PolarHBondContact O-N 2.91Å; D155-K157 WeakPolarHBondContact OD1-CA 3.25Å; D155-K157 WeakPolarHBondContact OD1-CB 3.2Å; D155-K157 PolarHBondContact OD1-N 2.85Å
156	S	72.8	Confident	76.6	Confident	89 Å²	89	57.2 Å²	57.2	62%	0.622	28%	0.277	S	S	*	.	S	Bend	trans	63.3	23.9	-177	-47.9	0	0	0	0	113.9	D151 K154	D151-S156 WeakPolarHBondContact OD2-CA 3.46Å; D151-S156 PolarHBondContact OD2-N 3.09Å; K154-S156 VanDerWaalsContact C-N 3.31Å
157	K	82	Confident	77.4	Confident	64 Å²	64	57.1 Å²	57.1	28%	0.278	28%	0.276	S	S	.	.			trans	-120.9	161.9	174.7	-53.4	170.9	170.9	-167.2	0	109.2	D155 Y193 L194 A195	D155-K157 PolarHBondContact O-N 2.91Å; D155-K157 WeakPolarHBondContact OD1-CA 3.25Å; D155-K157 WeakPolarHBondContact OD1-CB 3.2Å; D155-K157 PolarHBondContact OD1-N 2.85Å; K157-Y193 HydrophobicContact CB-CD2 4.08Å; K157-Y193 HydrophobicContact CB-CG 4.37Å; K157-Y193 HydrophobicContact CD-CD2 3.57Å; K157-Y193 HydrophobicContact CD-CE2 3.65Å; K157-Y193 HydrophobicContact CD-CG 4.06Å; K157-Y193 HydrophobicContact CG-CD2 4Å; K157-Y193 HydrophobicContact CG-CE2 4.37Å; K157-Y193 VanDerWaalsContact NZ-CZ 3.34Å; K157-Y193 PolarHBondContact NZ-OH 2.77Å; K157-L194 WeakPolarHBondContact CA-O 3.38Å; K157-A195 HydrophobicContact CG-CB 4.23Å
158	L	82.6	Confident	78	Confident	5 Å²	5	59.2 Å²	59.2	3%	0.026	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	109.7	173.9	-68.2	171.4	0	0	0	110.1	L147 A150 E162 F183 Y193 L194 I199	L147-L158 HydrophobicContact CD2-CD1 3.69Å; A150-L158 HydrophobicContact CB-CD2 4.44Å; L158-E162 HydrophobicContact CD2-CB 4Å; L158-F183 WeakPolarHBondContact O-CE2 3.38Å; L158-Y193 CarbonylContact O-C 3.56Å; L158-Y193 VanDerWaalsContact O-CA 3.31Å; L158-Y193 WeakPolarHBondContact O-CA 3.22Å; L158-L194 HydrophobicContact CB-CB 4.3Å; L158-L194 PolarHBondContact N-O 2.83Å; L158-L194 PolarHBondContact O-N 3.15Å; L158-I199 HydrophobicContact CD1-CD1 4.25Å; L158-I199 HydrophobicContact CD1-CG1 4.25Å; L158-I199 HydrophobicContact CD1-CG2 4.46Å; L158-I199 HydrophobicContact CG-CD1 4.3Å
159	S	87.3	Confident	78.2	Confident	39 Å²	39	56.8 Å²	56.8	27%	0.273	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	164	163.7	64.4	0	0	0	0	111.3	Q161 E162 M163	S159-Q161 PolarHBondContact O-N 2.81Å; S159-E162 WeakPolarHBondContact CB-OE2 3.22Å; S159-E162 PolarHBondContact N-OE2 3.23Å; S159-E162 PolarHBondContact O-N 3.32Å; S159-E162 VanDerWaalsContact OG-CD 3.3Å; S159-E162 VanDerWaalsContact OG-CG 3.26Å; S159-E162 WeakPolarHBondContact OG-CG 3.34Å; S159-E162 PolarHBondContact OG-N 3.06Å; S159-E162 PolarHBondContact OG-OE2 2.93Å; S159-M163 PolarHBondContact O-N 3.29Å
160	Q	84.1	Confident	78.4	Confident	62 Å²	62	51 Å²	51	29%	0.29	26%	0.255	S	S	.	.	H	α-helix	trans	-55.3	-38.5	176.7	-170.3	-173.6	8.2	0	0	112.3	M163 K164 F183	Q160-M163 PolarHBondContact O-N 3.21Å; Q160-K164 WeakPolarHBondContact O-CG 3.42Å; Q160-K164 PolarHBondContact O-N 3.22Å; Q160-F183 HydrophobicContact CB-CD1 4.41Å; Q160-F183 HydrophobicContact CB-CD2 4.04Å; Q160-F183 HydrophobicContact CB-CE1 4.43Å; Q160-F183 HydrophobicContact CB-CE2 4.06Å; Q160-F183 HydrophobicContact CB-CG 4.21Å; Q160-F183 HydrophobicContact CB-CZ 4.24Å; Q160-F183 HydrophobicContact CG-CB 4.38Å; Q160-F183 HydrophobicContact CG-CD2 4.29Å; Q160-F183 HydrophobicContact CG-CG 4.14Å; Q160-F183 VanDerWaalsContact N-CE2 3.31Å
161	Q	83.4	Confident	78.5	Confident	118 Å²	118	51.2 Å²	51.2	55%	0.551	26%	0.255	S	S	*	.	H	α-helix	trans	-70.2	-35	178.2	-172.8	59.3	70.9	0	0	112.3	S159 N165	S159-Q161 PolarHBondContact O-N 2.81Å; Q161-N165 WeakPolarHBondContact O-CB 3.43Å; Q161-N165 VanDerWaalsContact O-CG 3.28Å; Q161-N165 PolarHBondContact O-N 3.02Å; Q161-N165 PolarHBondContact O-ND2 3.27Å
162	E	84.5	Confident	78.7	Confident	16 Å²	16	50.5 Å²	50.5	8%	0.075	25%	0.251	C	S	.	.	H	α-helix	trans	-72.3	-36.9	175.1	-69	167.2	138.5	0	0	111.2	A150 K152 L158 S159 N165 F166	A150-E162 WeakPolarHBondContact O-CG 3.11Å; K152-E162 PolarHBondContact N-OE1 3.12Å; L158-E162 HydrophobicContact CD2-CB 4Å; S159-E162 WeakPolarHBondContact CB-OE2 3.22Å; S159-E162 PolarHBondContact N-OE2 3.23Å; S159-E162 PolarHBondContact O-N 3.32Å; S159-E162 VanDerWaalsContact OG-CD 3.3Å; S159-E162 VanDerWaalsContact OG-CG 3.26Å; S159-E162 WeakPolarHBondContact OG-CG 3.34Å; S159-E162 PolarHBondContact OG-N 3.06Å; S159-E162 PolarHBondContact OG-OE2 2.93Å; E162-N165 CarbonylContact O-C 3.46Å; E162-N165 WeakPolarHBondContact O-CB 3.33Å; E162-N165 PolarHBondContact O-N 2.85Å; E162-F166 WeakPolarHBondContact O-CB 3.31Å; E162-F166 PolarHBondContact O-N 2.79Å
163	M	83.8	Confident	78.5	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-60.8	-46	170.7	-167	-166.8	77.9	0	0	111.5	S159 Q160 N165 F166 L167 A179 F183 L194 F202	S159-M163 PolarHBondContact O-N 3.29Å; Q160-M163 PolarHBondContact O-N 3.21Å; M163-N165 VanDerWaalsContact C-N 3.33Å; M163-N165 PolarHBondContact O-N 3Å; M163-F166 WeakPolarHBondContact O-CB 3.46Å; M163-F166 PolarHBondContact O-N 3.06Å; M163-F166 VanDerWaalsContact O-N 3.16Å; M163-L167 HydrophobicContact CE-CD1 3.98Å; M163-L167 HydrophobicContact CG-CD1 4.27Å; M163-L167 WeakPolarHBondContact O-CG 3.44Å; M163-L167 PolarHBondContact O-N 3.09Å; M163-A179 HydrophobicContact CE-CB 4.34Å; M163-A179 WeakPolarHBondContact CE-O 3.46Å; M163-F183 HydrophobicContact CB-CD2 4.2Å; M163-F183 HydrophobicContact CE-CB 3.79Å; M163-F183 HydrophobicContact CE-CD2 4.27Å; M163-F183 HydrophobicContact SD-CB 3.96Å; M163-F183 HydrophobicContact SD-CD2 3.7Å; M163-F183 HydrophobicContact SD-CG 4.33Å; M163-L194 HydrophobicContact SD-CD1 4.27Å; M163-F202 HydrophobicContact CG-CE1 4.05Å; M163-F202 HydrophobicContact CG-CE2 3.88Å; M163-F202 HydrophobicContact CG-CZ 3.53Å; M163-F202 HydrophobicContact SD-CD2 4.06Å; M163-F202 HydrophobicContact SD-CE2 3.55Å; M163-F202 VanDerWaalsContact SD-CE2 3.55Å; M163-F202 HydrophobicContact SD-CZ 3.88Å
164	K	81.6	Confident	78.2	Confident	33 Å²	33	42.6 Å²	42.6	14%	0.143	22%	0.221	C	C	.	.	H	α-helix	trans	-59.9	-43.4	173.8	-73.3	-178.2	179.8	-172.6	0	111.8	Q160 F166 L167 Q168 D176 A179	Q160-K164 WeakPolarHBondContact O-CG 3.42Å; Q160-K164 PolarHBondContact O-N 3.22Å; K164-F166 VanDerWaalsContact C-N 3.3Å; K164-F166 PolarHBondContact O-N 2.77Å; K164-L167 PolarHBondContact O-N 3.27Å; K164-Q168 WeakPolarHBondContact O-CG 3.25Å; K164-Q168 PolarHBondContact O-N 3.47Å; K164-D176 WeakPolarHBondContact CE-OD1 3.4Å; K164-D176 VanDerWaalsContact NZ-CG 3.31Å; K164-D176 IonicContact NZ-OD1 2.73Å; K164-D176 PolarHBondContact NZ-OD1 3.25Å; K164-A179 HydrophobicContact CD-CB 4.42Å; K164-A179 HydrophobicContact CG-CB 4.05Å
165	N	79.6	Confident	78.1	Confident	18 Å²	18	38.7 Å²	38.7	10%	0.096	21%	0.209	C	C	.	.	H	α-helix	trans	-62.4	-37.9	175.3	-80.6	-50.2	0	0	0	112.5	Q161 E162 M163 L169 K643	Q161-N165 WeakPolarHBondContact O-CB 3.43Å; Q161-N165 VanDerWaalsContact O-CG 3.28Å; Q161-N165 PolarHBondContact O-N 3.02Å; Q161-N165 PolarHBondContact O-ND2 3.27Å; E162-N165 CarbonylContact O-C 3.46Å; E162-N165 WeakPolarHBondContact O-CB 3.33Å; E162-N165 PolarHBondContact O-N 2.85Å; M163-N165 VanDerWaalsContact C-N 3.33Å; M163-N165 PolarHBondContact O-N 3Å; N165-L169 VanDerWaalsContact O-CG 3.3Å; N165-L169 WeakPolarHBondContact O-CG 3.39Å; N165-L169 PolarHBondContact O-N 2.93Å; N165-K643 PolarHBondContact OD1-NZ 2.85Å
166	F	80.6	Confident	78	Confident	1 Å²	1	40.5 Å²	40.5	0%	0.004	22%	0.219	C	C	.	.	H	α-helix	trans	-65	-49.7	177.1	170.6	-110.4	0	0	0	111.3	I143 C146 L147 A150 E162 M163 K164 Q168 L169 L170 F202 L206	I143-F166 HydrophobicContact CG2-CE2 4.2Å; I143-F166 HydrophobicContact CG2-CZ 3.72Å; C146-F166 HydrophobicContact CB-CD2 3.91Å; C146-F166 HydrophobicContact CB-CE2 3.62Å; L147-F166 HydrophobicContact CB-CD2 4.4Å; L147-F166 HydrophobicContact CB-CE2 4.08Å; L147-F166 HydrophobicContact CD1-CZ 4.42Å; L147-F166 HydrophobicContact CD2-CD1 4.03Å; L147-F166 HydrophobicContact CD2-CD2 3.7Å; L147-F166 HydrophobicContact CD2-CE1 3.74Å; L147-F166 HydrophobicContact CD2-CE2 3.41Å; L147-F166 VanDerWaalsContact CD2-CE2 3.41Å; L147-F166 HydrophobicContact CD2-CG 3.98Å; L147-F166 HydrophobicContact CD2-CZ 3.37Å; L147-F166 HydrophobicContact CG-CD2 3.97Å; L147-F166 HydrophobicContact CG-CE1 4.41Å; L147-F166 HydrophobicContact CG-CE2 3.34Å; L147-F166 HydrophobicContact CG-CZ 3.56Å; L147-F166 VanDerWaalsContact N-CE2 3.33Å; A150-F166 HydrophobicContact CB-CB 3.55Å; A150-F166 HydrophobicContact CB-CD2 4.34Å; A150-F166 HydrophobicContact CB-CG 4.41Å; E162-F166 WeakPolarHBondContact O-CB 3.31Å; E162-F166 PolarHBondContact O-N 2.79Å; M163-F166 WeakPolarHBondContact O-CB 3.46Å; M163-F166 PolarHBondContact O-N 3.06Å; M163-F166 VanDerWaalsContact O-N 3.16Å; K164-F166 VanDerWaalsContact C-N 3.3Å; K164-F166 PolarHBondContact O-N 2.77Å; F166-Q168 VanDerWaalsContact C-N 3.31Å; F166-Q168 PolarHBondContact O-N 3.3Å; F166-L169 WeakPolarHBondContact O-CA 3.26Å; F166-L169 WeakPolarHBondContact O-CB 3.48Å; F166-L169 PolarHBondContact O-N 3.24Å; F166-L170 HydrophobicContact CD1-CD1 4.09Å; F166-L170 HydrophobicContact CD2-CD1 4.48Å; F166-L170 HydrophobicContact CD2-CG 4.38Å; F166-L170 HydrophobicContact CE1-CD1 3.4Å; F166-L170 HydrophobicContact CE1-CG 4.26Å; F166-L170 HydrophobicContact CE2-CD1 3.83Å; F166-L170 HydrophobicContact CE2-CD2 4.11Å; F166-L170 HydrophobicContact CE2-CG 3.95Å; F166-L170 HydrophobicContact CZ-CD1 3.29Å; F166-L170 HydrophobicContact CZ-CD2 4.28Å; F166-L170 HydrophobicContact CZ-CG 3.95Å; F166-L170 WeakPolarHBondContact O-CG 3.38Å; F166-L170 PolarHBondContact O-N 2.88Å; F166-F202 AromaticContact CD1-CE1 3.58Å; F166-F202 HydrophobicContact CD1-CE1 3.58Å; F166-F202 AromaticContact CD1-CZ 3.96Å; F166-F202 HydrophobicContact CD1-CZ 3.96Å; F166-F202 HydrophobicContact CE1-CD1 4.49Å; F166-F202 AromaticContact CE1-CE1 3.47Å; F166-F202 HydrophobicContact CE1-CE1 3.47Å; F166-F202 VanDerWaalsContact CE1-CE1 3.47Å; F166-F202 HydrophobicContact CE1-CZ 4.05Å; F166-L206 HydrophobicContact CE1-CD2 3.77Å; F166-L206 HydrophobicContact CZ-CD2 4.4Å
167	L	79.4	Confident	78	Confident	4 Å²	4	42.4 Å²	42.4	2%	0.021	22%	0.222	C	C	.	.	H	α-helix	trans	-59.5	-41.9	177.5	-69.1	164.1	0	0	0	111.9	M163 K164 L169 L170 N171 I172 L174 F202 L206	M163-L167 HydrophobicContact CE-CD1 3.98Å; M163-L167 HydrophobicContact CG-CD1 4.27Å; M163-L167 WeakPolarHBondContact O-CG 3.44Å; M163-L167 PolarHBondContact O-N 3.09Å; K164-L167 PolarHBondContact O-N 3.27Å; L167-L169 VanDerWaalsContact C-N 3.32Å; L167-L169 PolarHBondContact O-N 3.13Å; L167-L170 CarbonylContact O-C 3.55Å; L167-L170 WeakPolarHBondContact O-CA 3.46Å; L167-L170 WeakPolarHBondContact O-CB 3.41Å; L167-L170 PolarHBondContact O-N 3Å; L167-L170 VanDerWaalsContact O-N 3.08Å; L167-N171 PolarHBondContact O-N 3.38Å; L167-I172 CarbonylContact C-O 3.55Å; L167-I172 HydrophobicContact CB-CB 4.32Å; L167-I172 HydrophobicContact CD2-CB 4.5Å; L167-I172 HydrophobicContact CD2-CD1 3.9Å; L167-I172 PolarHBondContact O-N 3.22Å; L167-L174 HydrophobicContact CD1-CD1 3.4Å; L167-L174 VanDerWaalsContact CD1-CD1 3.4Å; L167-L174 HydrophobicContact CD1-CG 4.31Å; L167-L174 HydrophobicContact CD2-CD1 4.35Å; L167-L174 HydrophobicContact CG-CD1 4.4Å; L167-F202 HydrophobicContact CD2-CZ 3.97Å; L167-F202 HydrophobicContact CG-CZ 4.25Å; L167-L206 HydrophobicContact CD2-CD1 3.88Å; L167-L206 HydrophobicContact CD2-CD2 4.2Å
168	Q	78.9	Confident	77.6	Confident	61 Å²	61	44.3 Å²	44.3	29%	0.285	23%	0.228	S	C	.	.	H	α-helix	trans	-60.9	-39.9	172.1	-73.8	176.9	-4.6	0	0	112.2	K164 F166 L170 N171 K638	K164-Q168 WeakPolarHBondContact O-CG 3.25Å; K164-Q168 PolarHBondContact O-N 3.47Å; F166-Q168 VanDerWaalsContact C-N 3.31Å; F166-Q168 PolarHBondContact O-N 3.3Å; Q168-L170 PolarHBondContact O-N 3.32Å; Q168-N171 PolarHBondContact O-N 3.25Å; Q168-K638 WeakPolarHBondContact O-CE 3.42Å; Q168-K638 PolarHBondContact O-NZ 3Å
169	L	72.4	Confident	77.3	Confident	47 Å²	47	44.2 Å²	44.2	25%	0.246	23%	0.227	C	C	.	.	H	α-helix	trans	-64.3	-31	175.4	-73.5	169.4	0	0	0	112.2	C146 K149 A150 N165 F166 L167 N171	C146-L169 HydrophobicContact CB-CB 4.44Å; K149-L169 HydrophobicContact CB-CD1 3.9Å; A150-L169 HydrophobicContact CB-CD1 4.39Å; N165-L169 VanDerWaalsContact O-CG 3.3Å; N165-L169 WeakPolarHBondContact O-CG 3.39Å; N165-L169 PolarHBondContact O-N 2.93Å; F166-L169 WeakPolarHBondContact O-CA 3.26Å; F166-L169 WeakPolarHBondContact O-CB 3.48Å; F166-L169 PolarHBondContact O-N 3.24Å; L167-L169 VanDerWaalsContact C-N 3.32Å; L167-L169 PolarHBondContact O-N 3.13Å; L169-N171 PolarHBondContact O-N 2.99Å
170	L	71	Confident	77	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.005	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	0.5	176.2	-65.7	-175	0	0	0	114.6	W142 C146 F166 L167 Q168 I172 L206 F675	W142-L170 HydrophobicContact CE3-CD2 4Å; W142-L170 HydrophobicContact CH2-CB 4.47Å; W142-L170 HydrophobicContact CH2-CD2 3.55Å; W142-L170 HydrophobicContact CZ2-CD2 4.36Å; W142-L170 HydrophobicContact CZ3-CD2 3.35Å; C146-L170 HydrophobicContact CB-CD2 3.76Å; F166-L170 HydrophobicContact CD1-CD1 4.09Å; F166-L170 HydrophobicContact CD2-CD1 4.48Å; F166-L170 HydrophobicContact CD2-CG 4.38Å; F166-L170 HydrophobicContact CE1-CD1 3.4Å; F166-L170 HydrophobicContact CE1-CG 4.26Å; F166-L170 HydrophobicContact CE2-CD1 3.83Å; F166-L170 HydrophobicContact CE2-CD2 4.11Å; F166-L170 HydrophobicContact CE2-CG 3.95Å; F166-L170 HydrophobicContact CZ-CD1 3.29Å; F166-L170 HydrophobicContact CZ-CD2 4.28Å; F166-L170 HydrophobicContact CZ-CG 3.95Å; F166-L170 WeakPolarHBondContact O-CG 3.38Å; F166-L170 PolarHBondContact O-N 2.88Å; L167-L170 CarbonylContact O-C 3.55Å; L167-L170 WeakPolarHBondContact O-CA 3.46Å; L167-L170 WeakPolarHBondContact O-CB 3.41Å; L167-L170 PolarHBondContact O-N 3Å; L167-L170 VanDerWaalsContact O-N 3.08Å; Q168-L170 PolarHBondContact O-N 3.32Å; L170-I172 HydrophobicContact CB-CD1 4.23Å; L170-I172 HydrophobicContact CB-CG1 4.23Å; L170-L206 HydrophobicContact CD1-CD2 3.46Å; L170-L206 VanDerWaalsContact CD1-CD2 3.46Å; L170-F675 HydrophobicContact CB-CD2 3.83Å; L170-F675 HydrophobicContact CB-CE2 4.27Å; L170-F675 HydrophobicContact CB-CG 4.43Å; L170-F675 HydrophobicContact CD1-CD2 4.23Å; L170-F675 HydrophobicContact CD1-CE2 3.91Å; L170-F675 HydrophobicContact CD1-CZ 4.27Å; L170-F675 HydrophobicContact CD2-CD2 4.38Å; L170-F675 HydrophobicContact CD2-CE2 4.07Å; L170-F675 HydrophobicContact CG-CD2 4.39Å; L170-F675 HydrophobicContact CG-CE2 4.33Å; L170-F675 WeakPolarHBondContact O-CB 2.97Å
171	N	74.7	Confident	76.9	Confident	4 Å²	4	47.6 Å²	47.6	2%	0.021	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	70	40.2	-175.8	-152.8	15.9	0	0	0	113.2	L167 Q168 L169 L636 K638 I646 V647 G674	L167-N171 PolarHBondContact O-N 3.38Å; Q168-N171 PolarHBondContact O-N 3.25Å; L169-N171 PolarHBondContact O-N 2.99Å; N171-L636 PolarHBondContact ND2-O 3.5Å; N171-K638 HydrophobicContact CB-CG 4.07Å; N171-K638 WeakPolarHBondContact OD1-CG 3.48Å; N171-I646 WeakPolarHBondContact O-CG2 3.45Å; N171-I646 VanDerWaalsContact OD1-CA 3.28Å; N171-I646 WeakPolarHBondContact OD1-CA 3.47Å; N171-V647 WeakPolarHBondContact ND2-CG2 3.46Å; N171-V647 PolarHBondContact OD1-N 3.1Å; N171-G674 WeakPolarHBondContact O-CA 3.43Å; N171-G674 PolarHBondContact O-N 2.92Å
172	I	76.9	Confident	76.8	Confident	10 Å²	10	42.8 Å²	42.8	5%	0.051	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-118.7	124.7	175	-52.1	177.3	0	0	0	108.8	L167 L170 L174 L206 F675	L167-I172 CarbonylContact C-O 3.55Å; L167-I172 HydrophobicContact CB-CB 4.32Å; L167-I172 HydrophobicContact CD2-CB 4.5Å; L167-I172 HydrophobicContact CD2-CD1 3.9Å; L167-I172 PolarHBondContact O-N 3.22Å; L170-I172 HydrophobicContact CB-CD1 4.23Å; L170-I172 HydrophobicContact CB-CG1 4.23Å; I172-L174 HydrophobicContact CG2-CD2 3.68Å; I172-L174 HydrophobicContact CG2-CG 3.86Å; I172-L206 HydrophobicContact CD1-CD1 3.6Å; I172-L206 HydrophobicContact CD1-CG 4.43Å; I172-F675 HydrophobicContact CD1-CB 3.49Å; I172-F675 VanDerWaalsContact CD1-CB 3.49Å; I172-F675 HydrophobicContact CD1-CD1 3.68Å; I172-F675 HydrophobicContact CD1-CD2 4.45Å; I172-F675 HydrophobicContact CD1-CG 3.63Å; I172-F675 HydrophobicContact CG1-CB 3.25Å; I172-F675 HydrophobicContact CG1-CD1 4.43Å; I172-F675 HydrophobicContact CG1-CG 3.96Å
173	G	69.6	Low	76.9	Confident	23 Å²	23	42.6 Å²	42.6	24%	0.237	22%	0.217	C	C	.	.			trans	-96.7	122.9	164.5	0	0	0	0	0	109.5	N672	G173-N672 PolarHBondContact N-O 3.47Å
174	L	68.5	Low	77	Confident	54 Å²	54	49 Å²	49	28%	0.283	25%	0.245	S	C	.	.			trans	-117.9	144	168.5	-59.2	-177.8	0	0	0	107.4	L167 I172 Y178 A179 L182	L167-L174 HydrophobicContact CD1-CD1 3.4Å; L167-L174 VanDerWaalsContact CD1-CD1 3.4Å; L167-L174 HydrophobicContact CD1-CG 4.31Å; L167-L174 HydrophobicContact CD2-CD1 4.35Å; L167-L174 HydrophobicContact CG-CD1 4.4Å; I172-L174 HydrophobicContact CG2-CD2 3.68Å; I172-L174 HydrophobicContact CG2-CG 3.86Å; L174-Y178 HydrophobicContact CB-CD1 4.25Å; L174-Y178 HydrophobicContact CD1-CD1 3.85Å; L174-Y178 HydrophobicContact CD1-CE1 4.12Å; L174-Y178 HydrophobicContact CD2-CD1 3.64Å; L174-Y178 HydrophobicContact CD2-CE1 3.77Å; L174-Y178 HydrophobicContact CG-CD1 4.11Å; L174-A179 HydrophobicContact CB-CB 4.15Å; L174-A179 HydrophobicContact CD1-CB 4.36Å; L174-L182 HydrophobicContact CD1-CD2 4.15Å
175	D	70.6	Confident	77.2	Confident	93 Å²	93	53 Å²	53	50%	0.497	26%	0.262	S	S	.	.			trans	-63	154.2	163.2	66.6	89.8	0	0	0	109.9	D177 Y178 A179	D175-D177 PolarHBondContact O-N 3.01Å; D175-D177 WeakPolarHBondContact OD1-CB 2.77Å; D175-D177 PolarHBondContact OD1-N 2.87Å; D175-Y178 PolarHBondContact O-N 3.35Å; D175-Y178 WeakPolarHBondContact OD1-CB 2.94Å; D175-Y178 PolarHBondContact OD1-N 2.86Å; D175-Y178 WeakPolarHBondContact OD2-CB 3.06Å; D175-A179 WeakPolarHBondContact O-CB 3.47Å; D175-A179 PolarHBondContact O-N 3.38Å
176	D	74.4	Confident	77.5	Confident	109 Å²	109	52.1 Å²	52.1	58%	0.583	26%	0.258	S	S	*	.	H	α-helix	trans	-62.5	-30.7	-173.3	-82.4	-31.2	0	0	0	112.6	K164 E180	K164-D176 WeakPolarHBondContact CE-OD1 3.4Å; K164-D176 VanDerWaalsContact NZ-CG 3.31Å; K164-D176 IonicContact NZ-OD1 2.73Å; K164-D176 PolarHBondContact NZ-OD1 3.25Å; D176-E180 WeakPolarHBondContact O-CB 3.03Å; D176-E180 PolarHBondContact O-N 3.04Å
177	D	72.6	Confident	77.9	Confident	128 Å²	128	53.1 Å²	53.1	68%	0.684	26%	0.263	S	S	*	.	H	α-helix	trans	-75	-43.1	-178.3	-62.7	-34.1	0	0	0	111.3	D175 E180 M181	D175-D177 PolarHBondContact O-N 3.01Å; D175-D177 WeakPolarHBondContact OD1-CB 2.77Å; D175-D177 PolarHBondContact OD1-N 2.87Å; D177-E180 PolarHBondContact O-N 3.22Å; D177-M181 WeakPolarHBondContact O-CB 3.11Å; D177-M181 PolarHBondContact O-N 2.93Å
178	Y	72.3	Confident	78.3	Confident	105 Å²	105	60.3 Å²	60.3	41%	0.412	29%	0.294	S	S	.	.	H	α-helix	trans	-69.2	-38.7	176	-174.4	-95.8	0	0	0	111.7	L174 D175 E180 M181 L182	L174-Y178 HydrophobicContact CB-CD1 4.25Å; L174-Y178 HydrophobicContact CD1-CD1 3.85Å; L174-Y178 HydrophobicContact CD1-CE1 4.12Å; L174-Y178 HydrophobicContact CD2-CD1 3.64Å; L174-Y178 HydrophobicContact CD2-CE1 3.77Å; L174-Y178 HydrophobicContact CG-CD1 4.11Å; D175-Y178 PolarHBondContact O-N 3.35Å; D175-Y178 WeakPolarHBondContact OD1-CB 2.94Å; D175-Y178 PolarHBondContact OD1-N 2.86Å; D175-Y178 WeakPolarHBondContact OD2-CB 3.06Å; Y178-E180 VanDerWaalsContact C-N 3.3Å; Y178-E180 PolarHBondContact O-N 3.37Å; Y178-M181 HydrophobicContact CD2-CE 3.38Å; Y178-M181 HydrophobicContact CE2-CE 3.28Å; Y178-M181 HydrophobicContact CG-CE 4.31Å; Y178-M181 PolarHBondContact O-N 3.12Å; Y178-L182 WeakPolarHBondContact O-CB 3.36Å; Y178-L182 PolarHBondContact O-N 3.06Å
179	A	76.8	Confident	78.6	Confident	2 Å²	2	61.1 Å²	61.1	2%	0.017	31%	0.306	C	S	.	.	H	α-helix	trans	-61.9	-39	171.6	0	0	0	0	0	111.6	M163 K164 L174 D175 F183	M163-A179 HydrophobicContact CE-CB 4.34Å; M163-A179 WeakPolarHBondContact CE-O 3.46Å; K164-A179 HydrophobicContact CD-CB 4.42Å; K164-A179 HydrophobicContact CG-CB 4.05Å; L174-A179 HydrophobicContact CB-CB 4.15Å; L174-A179 HydrophobicContact CD1-CB 4.36Å; D175-A179 WeakPolarHBondContact O-CB 3.47Å; D175-A179 PolarHBondContact O-N 3.38Å; A179-F183 WeakPolarHBondContact O-CB 3.38Å; A179-F183 PolarHBondContact O-N 2.91Å
180	E	80.6	Confident	79.1	Confident	71 Å²	71	61.8 Å²	61.8	33%	0.332	33%	0.325	S	S	.	.	H	α-helix	trans	-66.5	-42.4	173.7	-173.9	169.7	160.1	0	0	112.5	D176 D177 Y178 F183 K184	D176-E180 WeakPolarHBondContact O-CB 3.03Å; D176-E180 PolarHBondContact O-N 3.04Å; D177-E180 PolarHBondContact O-N 3.22Å; Y178-E180 VanDerWaalsContact C-N 3.3Å; Y178-E180 PolarHBondContact O-N 3.37Å; E180-F183 PolarHBondContact O-N 2.79Å; E180-K184 HydrophobicContact CG-CD 4.29Å; E180-K184 WeakPolarHBondContact O-CB 3.4Å; E180-K184 WeakPolarHBondContact O-CG 3.49Å; E180-K184 PolarHBondContact O-N 2.83Å; E180-K184 WeakPolarHBondContact OE1-CE 3.42Å; E180-K184 IonicContact OE1-NZ 2.64Å; E180-K184 PolarHBondContact OE1-NZ 2.76Å
181	M	82.5	Confident	79.7	Confident	101 Å²	101	63.8 Å²	63.8	50%	0.498	34%	0.339	S	S	.	.	H	α-helix	trans	-60.7	-46.7	175.5	-175.4	-166.7	69.5	0	0	111.5	D177 Y178 F183 K184 K185	D177-M181 WeakPolarHBondContact O-CB 3.11Å; D177-M181 PolarHBondContact O-N 2.93Å; Y178-M181 HydrophobicContact CD2-CE 3.38Å; Y178-M181 HydrophobicContact CE2-CE 3.28Å; Y178-M181 HydrophobicContact CG-CE 4.31Å; Y178-M181 PolarHBondContact O-N 3.12Å; M181-F183 VanDerWaalsContact C-N 3.34Å; M181-F183 PolarHBondContact O-N 2.84Å; M181-K184 PolarHBondContact O-N 3.48Å; M181-K185 WeakPolarHBondContact O-CB 3.44Å; M181-K185 PolarHBondContact O-N 3.37Å
182	L	81.5	Confident	80.2	Confident	17 Å²	17	65.8 Å²	65.8	9%	0.089	36%	0.36	C	S	.	.	H	α-helix	trans	-63.4	-41.4	178.7	-174.8	61.8	0	0	0	111.2	L174 Y178 K185 C186 F202 L205	L174-L182 HydrophobicContact CD1-CD2 4.15Å; Y178-L182 WeakPolarHBondContact O-CB 3.36Å; Y178-L182 PolarHBondContact O-N 3.06Å; L182-K185 WeakPolarHBondContact O-CB 3.31Å; L182-K185 PolarHBondContact O-N 2.88Å; L182-C186 PolarHBondContact O-N 2.99Å; L182-C186 PolarHBondContact O-SG 3.24Å; L182-F202 HydrophobicContact CD2-CD2 4.33Å; L182-F202 HydrophobicContact CD2-CE2 3.71Å; L182-F202 HydrophobicContact CG-CD2 4.27Å; L182-F202 HydrophobicContact CG-CE2 4.08Å; L182-L205 HydrophobicContact CD1-CD1 4.38Å
183	F	85.5	Confident	80.7	Confident	12 Å²	12	69.5 Å²	69.5	5%	0.053	37%	0.374	C	S	.	.	H	α-helix	trans	-60.8	-50.5	175.1	-172.7	-89.2	0	0	0	111.4	L158 Q160 M163 A179 E180 M181 K185 C186 D187 L194	L158-F183 WeakPolarHBondContact O-CE2 3.38Å; Q160-F183 HydrophobicContact CB-CD1 4.41Å; Q160-F183 HydrophobicContact CB-CD2 4.04Å; Q160-F183 HydrophobicContact CB-CE1 4.43Å; Q160-F183 HydrophobicContact CB-CE2 4.06Å; Q160-F183 HydrophobicContact CB-CG 4.21Å; Q160-F183 HydrophobicContact CB-CZ 4.24Å; Q160-F183 HydrophobicContact CG-CB 4.38Å; Q160-F183 HydrophobicContact CG-CD2 4.29Å; Q160-F183 HydrophobicContact CG-CG 4.14Å; Q160-F183 VanDerWaalsContact N-CE2 3.31Å; M163-F183 HydrophobicContact CB-CD2 4.2Å; M163-F183 HydrophobicContact CE-CB 3.79Å; M163-F183 HydrophobicContact CE-CD2 4.27Å; M163-F183 HydrophobicContact SD-CB 3.96Å; M163-F183 HydrophobicContact SD-CD2 3.7Å; M163-F183 HydrophobicContact SD-CG 4.33Å; A179-F183 WeakPolarHBondContact O-CB 3.38Å; A179-F183 PolarHBondContact O-N 2.91Å; E180-F183 PolarHBondContact O-N 2.79Å; M181-F183 VanDerWaalsContact C-N 3.34Å; M181-F183 PolarHBondContact O-N 2.84Å; F183-K185 VanDerWaalsContact C-N 3.27Å; F183-K185 PolarHBondContact O-N 2.75Å; F183-C186 PolarHBondContact O-N 3.48Å; F183-D187 HydrophobicContact CD1-CB 4.39Å; F183-D187 HydrophobicContact CE1-CB 4.12Å; F183-D187 PolarHBondContact O-N 3.37Å; F183-L194 HydrophobicContact CD2-CD1 4.3Å; F183-L194 HydrophobicContact CD2-CD2 4.48Å; F183-L194 HydrophobicContact CD2-CG 4.19Å; F183-L194 HydrophobicContact CE2-CD1 4.35Å; F183-L194 HydrophobicContact CE2-CD2 4.26Å; F183-L194 HydrophobicContact CE2-CG 3.82Å; F183-L194 HydrophobicContact CZ-CD2 4.47Å; F183-L194 HydrophobicContact CZ-CG 4.37Å
184	K	86.3	Confident	81.4	Confident	135 Å²	135	68.4 Å²	68.4	59%	0.587	36%	0.363	S	S	*	.	H	α-helix	trans	-61.5	-34	177.7	-75	177.6	-176.6	166.6	0	112.8	E180 M181 C186	E180-K184 HydrophobicContact CG-CD 4.29Å; E180-K184 WeakPolarHBondContact O-CB 3.4Å; E180-K184 WeakPolarHBondContact O-CG 3.49Å; E180-K184 PolarHBondContact O-N 2.83Å; E180-K184 WeakPolarHBondContact OE1-CE 3.42Å; E180-K184 IonicContact OE1-NZ 2.64Å; E180-K184 PolarHBondContact OE1-NZ 2.76Å; M181-K184 PolarHBondContact O-N 3.48Å; K184-C186 VanDerWaalsContact C-N 3.26Å; K184-C186 PolarHBondContact O-N 3.29Å
185	K	86.3	Confident	82.1	Confident	116 Å²	116	67.3 Å²	67.3	50%	0.504	36%	0.362	S	S	.	.	H	α-helix	trans	-64.8	-32.5	175.2	-173.6	178.7	178.2	-176.4	0	111.9	M181 L182 F183 L205	M181-K185 WeakPolarHBondContact O-CB 3.44Å; M181-K185 PolarHBondContact O-N 3.37Å; L182-K185 WeakPolarHBondContact O-CB 3.31Å; L182-K185 PolarHBondContact O-N 2.88Å; F183-K185 VanDerWaalsContact C-N 3.27Å; F183-K185 PolarHBondContact O-N 2.75Å; K185-L205 HydrophobicContact CD-CD1 4.16Å; K185-L205 HydrophobicContact CG-CD1 4.47Å
186	C	86.9	Confident	82.4	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-90.4	-33.9	-178.3	-58.1	0	0	0	0	113.4	L182 F183 K184 K188 L194 E198 F202	L182-C186 PolarHBondContact O-N 2.99Å; L182-C186 PolarHBondContact O-SG 3.24Å; F183-C186 PolarHBondContact O-N 3.48Å; K184-C186 VanDerWaalsContact C-N 3.26Å; K184-C186 PolarHBondContact O-N 3.29Å; C186-K188 PolarHBondContact O-N 2.86Å; C186-L194 HydrophobicContact CB-CD1 3.96Å; C186-L194 HydrophobicContact CB-CD2 3.63Å; C186-L194 HydrophobicContact CB-CG 4.47Å; C186-E198 WeakPolarHBondContact O-CG 2.97Å; C186-F202 HydrophobicContact CB-CB 4.1Å
187	D	87.9	Confident	82.4	Confident	22 Å²	22	63.4 Å²	63.4	12%	0.118	36%	0.362	C	S	.	.			trans	-74.7	69.4	177.2	-175.7	12.8	0	0	0	111.1	F183 S189 G190 S191 G192 L194	F183-D187 HydrophobicContact CD1-CB 4.39Å; F183-D187 HydrophobicContact CE1-CB 4.12Å; F183-D187 PolarHBondContact O-N 3.37Å; D187-S189 PolarHBondContact O-N 2.85Å; D187-S189 PolarHBondContact OD1-OG 3.13Å; D187-S189 VanDerWaalsContact OD1-OG 3.07Å; D187-G190 PolarHBondContact O-N 2.88Å; D187-G190 WeakPolarHBondContact OD1-CA 3.41Å; D187-G190 PolarHBondContact OD1-N 3.38Å; D187-S191 PolarHBondContact OD1-N 3.22Å; D187-S191 PolarHBondContact OD2-N 2.99Å; D187-G192 WeakPolarHBondContact OD2-CA 3.46Å; D187-G192 PolarHBondContact OD2-N 3.27Å; D187-L194 HydrophobicContact CB-CD2 3.79Å; D187-L194 VanDerWaalsContact N-CD2 3.34Å
188	K	87.1	Confident	82.9	Confident	156 Å²	156	58.3 Å²	58.3	68%	0.678	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-23.5	178.9	-68.5	-176.9	-179.1	170.3	0	112.2	C186 E198	C186-K188 PolarHBondContact O-N 2.86Å; K188-E198 PolarHBondContact N-OE1 2.87Å
189	S	85.3	Confident	83.1	Confident	77 Å²	77	54.8 Å²	54.8	54%	0.538	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-17.4	177.1	64.7	0	0	0	0	113.5	D187 S191 E198	D187-S189 PolarHBondContact O-N 2.85Å; D187-S189 PolarHBondContact OD1-OG 3.13Å; D187-S189 VanDerWaalsContact OD1-OG 3.07Å; S189-S191 PolarHBondContact O-N 2.81Å; S189-S191 VanDerWaalsContact OG-CB 3.31Å; S189-S191 WeakPolarHBondContact OG-CB 3.45Å; S189-S191 PolarHBondContact OG-OG 3.15Å; S189-S191 VanDerWaalsContact OG-OG 3.1Å; S189-E198 WeakPolarHBondContact CB-OE1 3.48Å; S189-E198 PolarHBondContact N-OE1 2.76Å; S189-E198 PolarHBondContact OG-OE1 2.78Å; S189-E198 PolarHBondContact OG-OE2 3.19Å
190	G	83.8	Confident	82.8	Confident	61 Å²	61	60.8 Å²	60.8	63%	0.629	35%	0.35	S	S	*	.			trans	64.8	27	-175.1	0	0	0	0	0	112.5	D187	D187-G190 PolarHBondContact O-N 2.88Å; D187-G190 WeakPolarHBondContact OD1-CA 3.41Å; D187-G190 PolarHBondContact OD1-N 3.38Å
191	S	84.5	Confident	82.8	Confident	43 Å²	43	59.8 Å²	59.8	30%	0.301	35%	0.345	S	S	.	.	S	Bend	trans	-84.5	-12.1	-171.5	71.9	0	0	0	0	113.3	D187 S189 Y193	D187-S191 PolarHBondContact OD1-N 3.22Å; D187-S191 PolarHBondContact OD2-N 2.99Å; S189-S191 PolarHBondContact O-N 2.81Å; S189-S191 VanDerWaalsContact OG-CB 3.31Å; S189-S191 WeakPolarHBondContact OG-CB 3.45Å; S189-S191 PolarHBondContact OG-OG 3.15Å; S189-S191 VanDerWaalsContact OG-OG 3.1Å; S191-Y193 VanDerWaalsContact C-N 3.29Å; S191-Y193 VanDerWaalsContact O-CD1 3.25Å; S191-Y193 WeakPolarHBondContact O-CD1 3.33Å; S191-Y193 VanDerWaalsContact O-CE1 3.26Å; S191-Y193 WeakPolarHBondContact O-CE1 3.48Å; S191-Y193 WeakPolarHBondContact OG-CD2 3.32Å; S191-Y193 WeakPolarHBondContact OG-CE2 3.42Å; S191-Y193 PolarHBondContact OG-N 3.15Å; S191-Y193 PolarHBondContact OG-O 2.67Å
192	G	85.1	Confident	82.8	Confident	46 Å²	46	55.1 Å²	55.1	47%	0.474	32%	0.322	S	S	.	.	S	Bend	trans	81	8.3	-175.1	0	0	0	0	0	113.6	D187	D187-G192 WeakPolarHBondContact OD2-CA 3.46Å; D187-G192 PolarHBondContact OD2-N 3.27Å
193	Y	86.3	Confident	82.5	Confident	88 Å²	88	56 Å²	56	35%	0.345	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	151.2	174.8	50.9	-94	0	0	0	110	K157 L158 S191 A195	K157-Y193 HydrophobicContact CB-CD2 4.08Å; K157-Y193 HydrophobicContact CB-CG 4.37Å; K157-Y193 HydrophobicContact CD-CD2 3.57Å; K157-Y193 HydrophobicContact CD-CE2 3.65Å; K157-Y193 HydrophobicContact CD-CG 4.06Å; K157-Y193 HydrophobicContact CG-CD2 4Å; K157-Y193 HydrophobicContact CG-CE2 4.37Å; K157-Y193 VanDerWaalsContact NZ-CZ 3.34Å; K157-Y193 PolarHBondContact NZ-OH 2.77Å; L158-Y193 CarbonylContact O-C 3.56Å; L158-Y193 VanDerWaalsContact O-CA 3.31Å; L158-Y193 WeakPolarHBondContact O-CA 3.22Å; S191-Y193 VanDerWaalsContact C-N 3.29Å; S191-Y193 VanDerWaalsContact O-CD1 3.25Å; S191-Y193 WeakPolarHBondContact O-CD1 3.33Å; S191-Y193 VanDerWaalsContact O-CE1 3.26Å; S191-Y193 WeakPolarHBondContact O-CE1 3.48Å; S191-Y193 WeakPolarHBondContact OG-CD2 3.32Å; S191-Y193 WeakPolarHBondContact OG-CE2 3.42Å; S191-Y193 PolarHBondContact OG-N 3.15Å; S191-Y193 PolarHBondContact OG-O 2.67Å; Y193-A195 HydrophobicContact CD2-CB 4.23Å; Y193-A195 HydrophobicContact CE2-CB 4.37Å
194	L	84.7	Confident	82.1	Confident	0 Å²	0	60 Å²	60	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	131.7	171.3	-50.9	179.8	0	0	0	109.2	K157 L158 M163 F183 C186 D187 E198 I199 F202	K157-L194 WeakPolarHBondContact CA-O 3.38Å; L158-L194 HydrophobicContact CB-CB 4.3Å; L158-L194 PolarHBondContact N-O 2.83Å; L158-L194 PolarHBondContact O-N 3.15Å; M163-L194 HydrophobicContact SD-CD1 4.27Å; F183-L194 HydrophobicContact CD2-CD1 4.3Å; F183-L194 HydrophobicContact CD2-CD2 4.48Å; F183-L194 HydrophobicContact CD2-CG 4.19Å; F183-L194 HydrophobicContact CE2-CD1 4.35Å; F183-L194 HydrophobicContact CE2-CD2 4.26Å; F183-L194 HydrophobicContact CE2-CG 3.82Å; F183-L194 HydrophobicContact CZ-CD2 4.47Å; F183-L194 HydrophobicContact CZ-CG 4.37Å; C186-L194 HydrophobicContact CB-CD1 3.96Å; C186-L194 HydrophobicContact CB-CD2 3.63Å; C186-L194 HydrophobicContact CB-CG 4.47Å; D187-L194 HydrophobicContact CB-CD2 3.79Å; D187-L194 VanDerWaalsContact N-CD2 3.34Å; L194-E198 HydrophobicContact CB-CB 4.18Å; L194-E198 HydrophobicContact CD2-CB 4.18Å; L194-I199 HydrophobicContact CB-CG1 3.81Å; L194-F202 HydrophobicContact CD1-CB 4.02Å; L194-F202 HydrophobicContact CD1-CD1 4.45Å; L194-F202 HydrophobicContact CD1-CG 4.09Å
195	A	82.6	Confident	81.9	Confident	32 Å²	32	56.3 Å²	56.3	26%	0.264	33%	0.333	S	S	.	.			trans	-140.1	147.9	174.1	0	0	0	0	0	112.6	K157 Y193 A197 E198	K157-A195 HydrophobicContact CG-CB 4.23Å; Y193-A195 HydrophobicContact CD2-CB 4.23Å; Y193-A195 HydrophobicContact CE2-CB 4.37Å; A195-A197 PolarHBondContact O-N 3.5Å; A195-A197 VanDerWaalsContact O-N 3.15Å; A195-E198 PolarHBondContact N-OE2 2.83Å; A195-E198 PolarHBondContact O-N 3.05Å; A195-E198 VanDerWaalsContact O-N 3.08Å
196	G	78.3	Confident	81.5	Confident	48 Å²	48	51.6 Å²	51.6	50%	0.495	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	-119.3	175.3	0	0	0	0	0	112.7	E198 I199 E200	G196-E198 PolarHBondContact O-N 2.73Å; G196-E198 VanDerWaalsContact O-N 3.15Å; G196-I199 WeakPolarHBondContact O-CB 3.43Å; G196-I199 PolarHBondContact O-N 3.08Å; G196-E200 PolarHBondContact O-N 2.97Å
197	A	74.6	Confident	81	Confident	71 Å²	71	52.9 Å²	52.9	59%	0.587	32%	0.321	S	S	*	.	H	α-helix	trans	-59.8	-22.7	-178.7	0	0	0	0	0	114.5	A195 H201	A195-A197 PolarHBondContact O-N 3.5Å; A195-A197 VanDerWaalsContact O-N 3.15Å; A197-H201 WeakPolarHBondContact O-CB 3.32Å; A197-H201 PolarHBondContact O-N 3.43Å
198	E	82.4	Confident	80.8	Confident	21 Å²	21	56.3 Å²	56.3	10%	0.098	34%	0.336	C	S	.	.	H	α-helix	trans	-74	-32.4	175	-63.5	174.3	141.6	0	0	111.9	C186 K188 S189 L194 A195 G196 F202	C186-E198 WeakPolarHBondContact O-CG 2.97Å; K188-E198 PolarHBondContact N-OE1 2.87Å; S189-E198 WeakPolarHBondContact CB-OE1 3.48Å; S189-E198 PolarHBondContact N-OE1 2.76Å; S189-E198 PolarHBondContact OG-OE1 2.78Å; S189-E198 PolarHBondContact OG-OE2 3.19Å; L194-E198 HydrophobicContact CB-CB 4.18Å; L194-E198 HydrophobicContact CD2-CB 4.18Å; A195-E198 PolarHBondContact N-OE2 2.83Å; A195-E198 PolarHBondContact O-N 3.05Å; A195-E198 VanDerWaalsContact O-N 3.08Å; G196-E198 PolarHBondContact O-N 2.73Å; G196-E198 VanDerWaalsContact O-N 3.15Å; E198-F202 WeakPolarHBondContact O-CB 3.4Å; E198-F202 PolarHBondContact O-N 3.19Å
199	I	77.2	Confident	80.8	Confident	31 Å²	31	49.8 Å²	49.8	16%	0.159	31%	0.307	C	S	.	.	H	α-helix	trans	-70.4	-40.6	172.6	-62.8	178.1	0	0	0	109.7	L147 L158 L194 G196 F202 Y203	L147-I199 HydrophobicContact CD1-CG2 4.37Å; L158-I199 HydrophobicContact CD1-CD1 4.25Å; L158-I199 HydrophobicContact CD1-CG1 4.25Å; L158-I199 HydrophobicContact CD1-CG2 4.46Å; L158-I199 HydrophobicContact CG-CD1 4.3Å; L194-I199 HydrophobicContact CB-CG1 3.81Å; G196-I199 WeakPolarHBondContact O-CB 3.43Å; G196-I199 PolarHBondContact O-N 3.08Å; I199-F202 PolarHBondContact O-N 3.08Å; I199-Y203 WeakPolarHBondContact O-CB 3.19Å; I199-Y203 PolarHBondContact O-N 3.4Å
200	E	70.4	Confident	81	Confident	128 Å²	128	53 Å²	53	60%	0.598	31%	0.314	S	S	*	.	H	α-helix	trans	-60	-47.1	173.3	-65.9	171.5	-176.7	0	0	110.7	G196 F202 Y203 D204	G196-E200 PolarHBondContact O-N 2.97Å; E200-F202 VanDerWaalsContact C-N 3.34Å; E200-F202 PolarHBondContact O-N 3.27Å; E200-Y203 WeakPolarHBondContact O-CB 3.36Å; E200-Y203 PolarHBondContact O-N 2.93Å; E200-Y203 VanDerWaalsContact O-N 3.13Å; E200-D204 PolarHBondContact O-N 3.45Å
201	H	80.1	Confident	81.4	Confident	51 Å²	51	51.7 Å²	51.7	24%	0.236	29%	0.291	C	S	.	.	H	α-helix	trans	-62.4	-40.4	177.2	-172.8	44.2	0	0	0	113.1	A197 Y203 D204 L205	A197-H201 WeakPolarHBondContact O-CB 3.32Å; A197-H201 PolarHBondContact O-N 3.43Å; H201-Y203 VanDerWaalsContact C-N 3.33Å; H201-D204 PolarHBondContact O-N 3.16Å; H201-L205 WeakPolarHBondContact O-CG 3.46Å; H201-L205 PolarHBondContact O-N 3.43Å; H201-L205 VanDerWaalsContact O-N 3.09Å
202	F	81.8	Confident	81.8	Confident	2 Å²	2	49.6 Å²	49.6	1%	0.009	28%	0.277	C	S	.	.	H	α-helix	trans	-62.6	-41.3	173.9	170.9	-112.3	0	0	0	111.9	M163 F166 L167 L182 C186 L194 E198 I199 E200 L205 L206	M163-F202 HydrophobicContact CG-CE1 4.05Å; M163-F202 HydrophobicContact CG-CE2 3.88Å; M163-F202 HydrophobicContact CG-CZ 3.53Å; M163-F202 HydrophobicContact SD-CD2 4.06Å; M163-F202 HydrophobicContact SD-CE2 3.55Å; M163-F202 VanDerWaalsContact SD-CE2 3.55Å; M163-F202 HydrophobicContact SD-CZ 3.88Å; F166-F202 AromaticContact CD1-CE1 3.58Å; F166-F202 HydrophobicContact CD1-CE1 3.58Å; F166-F202 AromaticContact CD1-CZ 3.96Å; F166-F202 HydrophobicContact CD1-CZ 3.96Å; F166-F202 HydrophobicContact CE1-CD1 4.49Å; F166-F202 AromaticContact CE1-CE1 3.47Å; F166-F202 HydrophobicContact CE1-CE1 3.47Å; F166-F202 VanDerWaalsContact CE1-CE1 3.47Å; F166-F202 HydrophobicContact CE1-CZ 4.05Å; L167-F202 HydrophobicContact CD2-CZ 3.97Å; L167-F202 HydrophobicContact CG-CZ 4.25Å; L182-F202 HydrophobicContact CD2-CD2 4.33Å; L182-F202 HydrophobicContact CD2-CE2 3.71Å; L182-F202 HydrophobicContact CG-CD2 4.27Å; L182-F202 HydrophobicContact CG-CE2 4.08Å; C186-F202 HydrophobicContact CB-CB 4.1Å; L194-F202 HydrophobicContact CD1-CB 4.02Å; L194-F202 HydrophobicContact CD1-CD1 4.45Å; L194-F202 HydrophobicContact CD1-CG 4.09Å; E198-F202 WeakPolarHBondContact O-CB 3.4Å; E198-F202 PolarHBondContact O-N 3.19Å; I199-F202 PolarHBondContact O-N 3.08Å; E200-F202 VanDerWaalsContact C-N 3.34Å; E200-F202 PolarHBondContact O-N 3.27Å; F202-L205 PolarHBondContact O-N 2.95Å; F202-L206 HydrophobicContact CE1-CD2 4.5Å; F202-L206 HydrophobicContact CZ-CD2 4.36Å; F202-L206 WeakPolarHBondContact O-CB 3.45Å; F202-L206 PolarHBondContact O-N 3.29Å
203	Y	75.4	Confident	82.1	Confident	37 Å²	37	50 Å²	50	15%	0.145	27%	0.268	C	S	.	.	H	α-helix	trans	-61.9	-45.8	175.8	177.5	-95.7	0	0	0	112.2	D140 I143 I199 E200 H201 L205 L206 T207	D140-Y203 PolarHBondContact OD1-OH 3.33Å; I143-Y203 HydrophobicContact CB-CE2 4.05Å; I143-Y203 HydrophobicContact CD1-CE2 3.63Å; I143-Y203 HydrophobicContact CG1-CE2 4.45Å; I143-Y203 HydrophobicContact CG2-CD2 3.9Å; I143-Y203 HydrophobicContact CG2-CE2 3.64Å; I199-Y203 WeakPolarHBondContact O-CB 3.19Å; I199-Y203 PolarHBondContact O-N 3.4Å; E200-Y203 WeakPolarHBondContact O-CB 3.36Å; E200-Y203 PolarHBondContact O-N 2.93Å; E200-Y203 VanDerWaalsContact O-N 3.13Å; H201-Y203 VanDerWaalsContact C-N 3.33Å; Y203-L205 VanDerWaalsContact C-N 3.33Å; Y203-L205 PolarHBondContact O-N 2.86Å; Y203-L206 PolarHBondContact O-N 3.48Å; Y203-T207 HydrophobicContact CD2-CG2 4.16Å; Y203-T207 HydrophobicContact CE1-CG2 4.22Å; Y203-T207 HydrophobicContact CE2-CG2 3.75Å; Y203-T207 PolarHBondContact O-N 3.04Å; Y203-T207 PolarHBondContact O-OG1 3.44Å
204	D	77.1	Confident	82.5	Confident	95 Å²	95	50.6 Å²	50.6	51%	0.508	28%	0.28	S	S	.	.	H	α-helix	trans	-61.2	-43.3	178.4	-69	-14.8	0	0	0	111.3	E200 H201 L206 H208	E200-D204 PolarHBondContact O-N 3.45Å; H201-D204 PolarHBondContact O-N 3.16Å; D204-L206 VanDerWaalsContact C-N 3.32Å; D204-L206 PolarHBondContact O-N 2.69Å; D204-H208 WeakPolarHBondContact O-CB 3.35Å; D204-H208 PolarHBondContact O-N 2.78Å; D204-H208 VanDerWaalsContact O-N 3.09Å
205	L	81.4	Confident	82.9	Confident	57 Å²	57	51.3 Å²	51.3	30%	0.298	28%	0.284	S	S	.	.	H	α-helix	trans	-63.7	-38.4	176.3	-74.1	173.5	0	0	0	112.1	L182 K185 H201 F202 Y203	L182-L205 HydrophobicContact CD1-CD1 4.38Å; K185-L205 HydrophobicContact CD-CD1 4.16Å; K185-L205 HydrophobicContact CG-CD1 4.47Å; H201-L205 WeakPolarHBondContact O-CG 3.46Å; H201-L205 PolarHBondContact O-N 3.43Å; H201-L205 VanDerWaalsContact O-N 3.09Å; F202-L205 PolarHBondContact O-N 2.95Å; Y203-L205 VanDerWaalsContact C-N 3.33Å; Y203-L205 PolarHBondContact O-N 2.86Å
206	L	79.1	Confident	83.5	Confident	18 Å²	18	50.7 Å²	50.7	9%	0.094	28%	0.275	C	S	.	.	H	α-helix	trans	-74.2	-36.6	-176.9	-171.4	62.9	0	0	0	112.8	F166 L167 L170 I172 F202 Y203 D204 F675 N676	F166-L206 HydrophobicContact CE1-CD2 3.77Å; F166-L206 HydrophobicContact CZ-CD2 4.4Å; L167-L206 HydrophobicContact CD2-CD1 3.88Å; L167-L206 HydrophobicContact CD2-CD2 4.2Å; L170-L206 HydrophobicContact CD1-CD2 3.46Å; L170-L206 VanDerWaalsContact CD1-CD2 3.46Å; I172-L206 HydrophobicContact CD1-CD1 3.6Å; I172-L206 HydrophobicContact CD1-CG 4.43Å; F202-L206 HydrophobicContact CE1-CD2 4.5Å; F202-L206 HydrophobicContact CZ-CD2 4.36Å; F202-L206 WeakPolarHBondContact O-CB 3.45Å; F202-L206 PolarHBondContact O-N 3.29Å; Y203-L206 PolarHBondContact O-N 3.48Å; D204-L206 VanDerWaalsContact C-N 3.32Å; D204-L206 PolarHBondContact O-N 2.69Å; L206-F675 HydrophobicContact CD1-CD1 4.5Å; L206-F675 HydrophobicContact CD1-CE1 4.38Å; L206-F675 HydrophobicContact CD2-CE1 4.33Å; L206-F675 HydrophobicContact CD2-CZ 4.42Å; L206-F675 HydrophobicContact CG-CD1 4.38Å; L206-F675 HydrophobicContact CG-CE1 3.79Å; L206-F675 HydrophobicContact CG-CZ 4.31Å; L206-N676 PolarHBondContact O-ND2 3.36Å
207	T	76.8	Confident	84.3	Confident	27 Å²	27	50 Å²	50	17%	0.166	27%	0.268	C	S	.	.	H	α-helix	trans	-95	1.8	-176.8	58.8	0	0	0	0	113.5	I143 Y203 F675	I143-T207 HydrophobicContact CD1-CG2 3.91Å; Y203-T207 HydrophobicContact CD2-CG2 4.16Å; Y203-T207 HydrophobicContact CE1-CG2 4.22Å; Y203-T207 HydrophobicContact CE2-CG2 3.75Å; Y203-T207 PolarHBondContact O-N 3.04Å; Y203-T207 PolarHBondContact O-OG1 3.44Å; T207-F675 HydrophobicContact CG2-CE1 4.49Å; T207-F675 HydrophobicContact CG2-CZ 4.22Å
208	H	83.6	Confident	85.2	Confident	94 Å²	94	51.5 Å²	51.5	44%	0.435	26%	0.263	S	S	.	.			trans	-57.3	136.5	177	-168.3	68.6	0	0	0	112.1	D204 D213	D204-H208 WeakPolarHBondContact O-CB 3.35Å; D204-H208 PolarHBondContact O-N 2.78Å; D204-H208 VanDerWaalsContact O-N 3.09Å; H208-D213 IonicContact CE1-OD2 2.79Å; H208-D213 PolarHBondContact CE1-OD2 2.98Å; H208-D213 IonicContact NE2-OD2 3.74Å; H208-D213 PolarHBondContact NE2-OD2 2.65Å
209	R	86.8	Confident	85.8	Confident	19 Å²	19	51.2 Å²	51.2	7%	0.072	26%	0.261	C	S	.	.			trans	-122.6	88.3	-176.4	-65.6	-83.9	-49.3	-100.4	3.3	108.9	E211 I212 D213 H727 F744	R209-E211 VanDerWaalsContact C-N 3.27Å; R209-E211 VanDerWaalsContact C-OE2 3.3Å; R209-E211 WeakPolarHBondContact CA-OE2 3.46Å; R209-E211 IonicContact CZ-OE1 3.87Å; R209-E211 IonicContact NE-OE1 3.63Å; R209-E211 PolarHBondContact NE-OE1 2.98Å; R209-E211 IonicContact NE-OE2 3.08Å; R209-E211 IonicContact NH2-OE1 3Å; R209-E211 PolarHBondContact NH2-OE1 2.84Å; R209-E211 PolarHBondContact O-N 3.24Å; R209-I212 HydrophobicContact CB-CB 3.88Å; R209-I212 HydrophobicContact CB-CG1 3.69Å; R209-I212 HydrophobicContact CG-CG1 4.31Å; R209-I212 PolarHBondContact O-N 3.32Å; R209-I212 VanDerWaalsContact O-N 3.12Å; R209-D213 PolarHBondContact O-N 2.95Å; R209-H727 PolarHBondContact NH1-NE2 2.76Å; R209-F744 VanDerWaalsContact NH2-CD1 3.27Å
210	E	89.8	Confident	86.5	Confident	145 Å²	145	50 Å²	50	68%	0.678	26%	0.255	S	S	*	.	H	α-helix	trans	-59.5	-38.2	-177.9	-176.3	178.5	-174.8	0	0	111.9	I212 D213 V214	E210-I212 PolarHBondContact O-N 3.03Å; E210-D213 WeakPolarHBondContact O-CB 3.5Å; E210-D213 PolarHBondContact O-N 3.21Å; E210-D213 VanDerWaalsContact O-N 3.13Å; E210-V214 PolarHBondContact O-N 3.42Å; E210-V214 VanDerWaalsContact O-N 3.1Å
211	E	92.1	Very high	86.9	Confident	32 Å²	32	50.4 Å²	50.4	15%	0.15	26%	0.255	C	S	.	.	H	α-helix	trans	-63.2	-31.3	178.6	73.5	-83.3	-152	0	0	112.5	R209 I215 I631 S632 F744	R209-E211 VanDerWaalsContact C-N 3.27Å; R209-E211 VanDerWaalsContact C-OE2 3.3Å; R209-E211 WeakPolarHBondContact CA-OE2 3.46Å; R209-E211 IonicContact CZ-OE1 3.87Å; R209-E211 IonicContact NE-OE1 3.63Å; R209-E211 PolarHBondContact NE-OE1 2.98Å; R209-E211 IonicContact NE-OE2 3.08Å; R209-E211 IonicContact NH2-OE1 3Å; R209-E211 PolarHBondContact NH2-OE1 2.84Å; R209-E211 PolarHBondContact O-N 3.24Å; E211-I215 WeakPolarHBondContact O-CD1 3.37Å; E211-I215 VanDerWaalsContact O-CG1 3.26Å; E211-I215 WeakPolarHBondContact O-CG1 3.34Å; E211-I215 PolarHBondContact O-N 3.18Å; E211-I215 VanDerWaalsContact O-N 3.17Å; E211-I631 HydrophobicContact CB-CG2 3.93Å; E211-I631 HydrophobicContact CG-CG2 3.78Å; E211-S632 WeakPolarHBondContact OE1-CB 3.48Å; E211-S632 PolarHBondContact OE1-OG 3.44Å; E211-F744 HydrophobicContact CG-CD1 4.18Å; E211-F744 HydrophobicContact CG-CE1 4.18Å
212	I	92.9	Very high	86.7	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-75.3	-36.7	176.8	-61.8	-65.5	0	0	0	110.2	R209 E210 V214 I215 Y216 K269 F272 L273 L276 F744	R209-I212 HydrophobicContact CB-CB 3.88Å; R209-I212 HydrophobicContact CB-CG1 3.69Å; R209-I212 HydrophobicContact CG-CG1 4.31Å; R209-I212 PolarHBondContact O-N 3.32Å; R209-I212 VanDerWaalsContact O-N 3.12Å; E210-I212 PolarHBondContact O-N 3.03Å; I212-V214 VanDerWaalsContact C-N 3.28Å; I212-V214 PolarHBondContact O-N 3.06Å; I212-I215 PolarHBondContact O-N 3.19Å; I212-Y216 WeakPolarHBondContact O-CB 3.43Å; I212-Y216 PolarHBondContact O-N 3.45Å; I212-K269 HydrophobicContact CG2-CD 4.42Å; I212-K269 HydrophobicContact CG2-CG 4.29Å; I212-F272 HydrophobicContact CG2-CD1 4.19Å; I212-F272 HydrophobicContact CG2-CE1 4.34Å; I212-L273 HydrophobicContact CB-CD2 4.28Å; I212-L273 HydrophobicContact CD1-CD2 4.18Å; I212-L273 HydrophobicContact CG1-CD2 3.84Å; I212-L273 HydrophobicContact CG2-CD2 3.74Å; I212-L273 HydrophobicContact CG2-CG 4.07Å; I212-L276 HydrophobicContact CD1-CD1 3.76Å; I212-F744 HydrophobicContact CD1-CE1 3.87Å; I212-F744 HydrophobicContact CD1-CE2 4.45Å; I212-F744 HydrophobicContact CD1-CZ 3.75Å
213	D	91.9	Very high	86.6	Confident	55 Å²	55	57.7 Å²	57.7	29%	0.294	30%	0.304	S	S	.	.	H	α-helix	trans	-61.4	-39	175	-76.2	-10	0	0	0	111.5	H208 R209 E210 G217 K269	H208-D213 IonicContact CE1-OD2 2.79Å; H208-D213 PolarHBondContact CE1-OD2 2.98Å; H208-D213 IonicContact NE2-OD2 3.74Å; H208-D213 PolarHBondContact NE2-OD2 2.65Å; R209-D213 PolarHBondContact O-N 2.95Å; E210-D213 WeakPolarHBondContact O-CB 3.5Å; E210-D213 PolarHBondContact O-N 3.21Å; E210-D213 VanDerWaalsContact O-N 3.13Å; D213-G217 WeakPolarHBondContact O-CA 3.39Å; D213-G217 PolarHBondContact O-N 2.92Å; D213-K269 WeakPolarHBondContact OD1-CD 3.43Å; D213-K269 WeakPolarHBondContact OD1-CE 3.44Å; D213-K269 IonicContact OD1-NZ 2.8Å; D213-K269 PolarHBondContact OD1-NZ 2.68Å; D213-K269 IonicContact OD2-NZ 2.68Å
214	V	93	Very high	87.2	Confident	99 Å²	99	58.1 Å²	58.1	60%	0.6	32%	0.319	S	S	*	.	H	α-helix	trans	-64.4	-51.4	175.4	175.7	0	0	0	0	111.1	E210 I212 G217 E218	E210-V214 PolarHBondContact O-N 3.42Å; E210-V214 VanDerWaalsContact O-N 3.1Å; I212-V214 VanDerWaalsContact C-N 3.28Å; I212-V214 PolarHBondContact O-N 3.06Å; V214-G217 PolarHBondContact O-N 3.38Å; V214-E218 PolarHBondContact O-N 2.98Å; V214-E218 VanDerWaalsContact O-N 3.16Å
215	I	94.6	Very high	87.9	Confident	15 Å²	15	57.1 Å²	57.1	8%	0.077	31%	0.31	C	S	.	.	H	α-helix	trans	-62.9	-48.9	-178.8	-65	162.3	0	0	0	110.5	E211 I212 E218 Y219 F234 F272 Y725 F744	E211-I215 WeakPolarHBondContact O-CD1 3.37Å; E211-I215 VanDerWaalsContact O-CG1 3.26Å; E211-I215 WeakPolarHBondContact O-CG1 3.34Å; E211-I215 PolarHBondContact O-N 3.18Å; E211-I215 VanDerWaalsContact O-N 3.17Å; I212-I215 PolarHBondContact O-N 3.19Å; I215-E218 PolarHBondContact O-N 3.4Å; I215-Y219 WeakPolarHBondContact O-CD2 3.26Å; I215-F234 HydrophobicContact CG2-CD2 4.3Å; I215-F234 HydrophobicContact CG2-CE2 3.66Å; I215-F272 HydrophobicContact CG2-CE1 4.21Å; I215-F272 HydrophobicContact CG2-CZ 4Å; I215-Y725 HydrophobicContact CD1-CD1 3.6Å; I215-Y725 HydrophobicContact CD1-CD2 4.39Å; I215-Y725 HydrophobicContact CD1-CE1 3.51Å; I215-Y725 HydrophobicContact CD1-CE2 4.33Å; I215-Y725 HydrophobicContact CD1-CG 4.06Å; I215-Y725 HydrophobicContact CG1-CE1 4.07Å; I215-Y725 HydrophobicContact CG1-CE2 4.34Å; I215-Y725 HydrophobicContact CG2-CD2 4.39Å; I215-Y725 HydrophobicContact CG2-CE2 4.31Å; I215-F744 HydrophobicContact CD1-CE1 3.86Å; I215-F744 HydrophobicContact CD1-CZ 4Å
216	Y	94.9	Very high	88.6	Confident	19 Å²	19	54.4 Å²	54.4	8%	0.075	30%	0.296	C	S	.	.	H	α-helix	trans	-65.1	-44.1	-179.3	177.9	-89.7	0	0	0	111.4	I212 E218 Y219 A220 G224 F225 M226 L267 S268 K269 F272	I212-Y216 WeakPolarHBondContact O-CB 3.43Å; I212-Y216 PolarHBondContact O-N 3.45Å; Y216-E218 PolarHBondContact O-N 2.9Å; Y216-Y219 PolarHBondContact O-N 3.42Å; Y216-Y219 VanDerWaalsContact O-N 3.11Å; Y216-A220 HydrophobicContact CD1-CB 3.78Å; Y216-A220 HydrophobicContact CE1-CB 3.34Å; Y216-A220 HydrophobicContact CE2-CB 4.4Å; Y216-A220 HydrophobicContact CG-CB 4.46Å; Y216-A220 WeakPolarHBondContact O-CB 3.42Å; Y216-A220 PolarHBondContact O-N 2.82Å; Y216-G224 WeakPolarHBondContact CE1-O 3.12Å; Y216-G224 PolarHBondContact OH-O 3.47Å; Y216-F225 WeakPolarHBondContact OH-CA 3.39Å; Y216-M226 HydrophobicContact CD2-CE 3.44Å; Y216-M226 VanDerWaalsContact CD2-CE 3.44Å; Y216-M226 HydrophobicContact CD2-CG 4.3Å; Y216-M226 HydrophobicContact CD2-SD 4.41Å; Y216-M226 HydrophobicContact CE2-CE 4.03Å; Y216-M226 HydrophobicContact CE2-CG 3.92Å; Y216-M226 HydrophobicContact CE2-SD 4.5Å; Y216-M226 HydrophobicContact CG-CE 3.94Å; Y216-M226 WeakPolarHBondContact O-CE 3.41Å; Y216-L267 PolarHBondContact OH-O 3.22Å; Y216-S268 WeakPolarHBondContact OH-CA 3.21Å; Y216-K269 HydrophobicContact CD1-CB 4.37Å; Y216-K269 HydrophobicContact CD2-CB 4.33Å; Y216-K269 HydrophobicContact CE1-CB 4.27Å; Y216-K269 HydrophobicContact CE2-CB 4.25Å; Y216-K269 HydrophobicContact CG-CB 4.4Å; Y216-K269 HydrophobicContact CG-CG 4.47Å; Y216-K269 PolarHBondContact OH-N 2.89Å; Y216-F272 HydrophobicContact CD2-CB 3.84Å; Y216-F272 AromaticContact CD2-CD1 3.93Å; Y216-F272 HydrophobicContact CD2-CD1 3.93Å; Y216-F272 AromaticContact CD2-CG 3.91Å; Y216-F272 HydrophobicContact CD2-CG 3.91Å; Y216-F272 HydrophobicContact CE2-CB 4.11Å
217	G	93.8	Very high	89.4	Confident	33 Å²	33	56.6 Å²	56.6	34%	0.34	31%	0.308	S	S	.	.	H	α-helix	trans	-60.4	-30.6	180	0	0	0	0	0	113.5	D213 V214 Y219 K221	D213-G217 WeakPolarHBondContact O-CA 3.39Å; D213-G217 PolarHBondContact O-N 2.92Å; V214-G217 PolarHBondContact O-N 3.38Å; G217-Y219 PolarHBondContact O-N 3.41Å; G217-K221 VanDerWaalsContact O-CG 3.23Å; G217-K221 WeakPolarHBondContact O-CG 3.46Å
218	E	93.9	Very high	90.3	Very high	103 Å²	103	55.7 Å²	55.7	48%	0.481	30%	0.303	S	S	.	.	H	α-helix	trans	-62.1	-33.2	176.6	-178.6	54.3	-152.3	0	0	112.5	V214 I215 Y216 K221	V214-E218 PolarHBondContact O-N 2.98Å; V214-E218 VanDerWaalsContact O-N 3.16Å; I215-E218 PolarHBondContact O-N 3.4Å; Y216-E218 PolarHBondContact O-N 2.9Å; E218-K221 WeakPolarHBondContact O-CD 3.33Å; E218-K221 WeakPolarHBondContact O-CE 3.22Å; E218-K221 WeakPolarHBondContact O-CG 3.44Å; E218-K221 IonicContact OE1-NZ 2.66Å; E218-K221 PolarHBondContact OE1-NZ 2.52Å; E218-K221 WeakPolarHBondContact OE2-CE 3.31Å; E218-K221 IonicContact OE2-NZ 2.75Å; E218-K221 PolarHBondContact OE2-NZ 3.43Å
219	Y	94.8	Very high	90.9	Very high	16 Å²	16	52.8 Å²	52.8	6%	0.063	30%	0.299	C	S	.	.	H	α-helix	trans	-104.6	-19.5	-176.1	-67.1	-87.5	0	0	0	113.5	I215 Y216 G217 M226 N230 E233 F234 E238	I215-Y219 WeakPolarHBondContact O-CD2 3.26Å; Y216-Y219 PolarHBondContact O-N 3.42Å; Y216-Y219 VanDerWaalsContact O-N 3.11Å; G217-Y219 PolarHBondContact O-N 3.41Å; Y219-M226 HydrophobicContact CG-CE 4.38Å; Y219-N230 WeakPolarHBondContact O-CB 3.49Å; Y219-N230 VanDerWaalsContact O-CG 3.26Å; Y219-E233 HydrophobicContact CD1-CB 4.23Å; Y219-E233 HydrophobicContact CD1-CG 4.4Å; Y219-E233 HydrophobicContact CE1-CB 4.12Å; Y219-E233 HydrophobicContact CE1-CG 3.94Å; Y219-F234 HydrophobicContact CD1-CB 3.9Å; Y219-F234 HydrophobicContact CD2-CB 4.12Å; Y219-F234 AromaticContact CD2-CD2 3.99Å; Y219-F234 HydrophobicContact CD2-CD2 3.99Å; Y219-F234 HydrophobicContact CE1-CB 3.94Å; Y219-F234 HydrophobicContact CE2-CB 4.19Å; Y219-F234 AromaticContact CE2-CD2 3.77Å; Y219-F234 HydrophobicContact CE2-CD2 3.77Å; Y219-F234 HydrophobicContact CE2-CG 4.49Å; Y219-F234 HydrophobicContact CG-CB 4Å; Y219-E238 HydrophobicContact CE2-CG 3.93Å; Y219-E238 VanDerWaalsContact OH-CG 3.23Å; Y219-E238 WeakPolarHBondContact OH-CG 3.39Å; Y219-E238 PolarHBondContact OH-OE1 2.85Å
220	A	92.7	Very high	91.3	Very high	4 Å²	4	53.3 Å²	53.3	3%	0.033	30%	0.303	C	S	.	.			trans	-96.4	18.6	-179.7	0	0	0	0	0	114.6	Y216 T222 G224 M226	Y216-A220 HydrophobicContact CD1-CB 3.78Å; Y216-A220 HydrophobicContact CE1-CB 3.34Å; Y216-A220 HydrophobicContact CE2-CB 4.4Å; Y216-A220 HydrophobicContact CG-CB 4.46Å; Y216-A220 WeakPolarHBondContact O-CB 3.42Å; Y216-A220 PolarHBondContact O-N 2.82Å; A220-T222 VanDerWaalsContact C-N 3.32Å; A220-T222 PolarHBondContact O-N 2.94Å; A220-T222 VanDerWaalsContact O-N 3.09Å; A220-G224 WeakPolarHBondContact O-CA 3.22Å; A220-G224 PolarHBondContact O-N 3.12Å; A220-M226 HydrophobicContact CB-CG 4.02Å
221	K	78.6	Confident	91.6	Very high	137 Å²	137	46.4 Å²	46.4	60%	0.596	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-34.5	-166.1	-71.8	177.9	173.5	163.5	0	116.6	G217 E218	G217-K221 VanDerWaalsContact O-CG 3.23Å; G217-K221 WeakPolarHBondContact O-CG 3.46Å; E218-K221 WeakPolarHBondContact O-CD 3.33Å; E218-K221 WeakPolarHBondContact O-CE 3.22Å; E218-K221 WeakPolarHBondContact O-CG 3.44Å; E218-K221 IonicContact OE1-NZ 2.66Å; E218-K221 PolarHBondContact OE1-NZ 2.52Å; E218-K221 WeakPolarHBondContact OE2-CE 3.31Å; E218-K221 IonicContact OE2-NZ 2.75Å; E218-K221 PolarHBondContact OE2-NZ 3.43Å
222	T	75.8	Confident	91.8	Very high	118 Å²	118	46.7 Å²	46.7	72%	0.724	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-40.7	-169	43.2	0	0	0	0	114.2	A220	A220-T222 VanDerWaalsContact C-N 3.32Å; A220-T222 PolarHBondContact O-N 2.94Å; A220-T222 VanDerWaalsContact O-N 3.09Å
223	T	80.4	Confident	92	Very high	89 Å²	89	50.4 Å²	50.4	55%	0.546	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123	-5.8	-169.1	53.4	0	0	0	0	112.8	F225	T223-F225 WeakPolarHBondContact O-CD2 3.49Å; T223-F225 PolarHBondContact O-N 3.19Å; T223-F225 PolarHBondContact OG1-N 2.92Å; T223-F225 PolarHBondContact OG1-O 2.95Å
224	G	87.4	Confident	92.2	Very high	46 Å²	46	47.8 Å²	47.8	47%	0.474	28%	0.276	S	S	.	.	S	Bend	trans	77.1	-0.3	-167.5	0	0	0	0	0	113.7	Y216 A220	Y216-G224 WeakPolarHBondContact CE1-O 3.12Å; Y216-G224 PolarHBondContact OH-O 3.47Å; A220-G224 WeakPolarHBondContact O-CA 3.22Å; A220-G224 PolarHBondContact O-N 3.12Å
225	F	92.6	Very high	92.4	Very high	73 Å²	73	43.1 Å²	43.1	32%	0.32	25%	0.248	S	C	.	.	S	Bend	trans	-121.4	146.9	176.4	-67.5	-90.4	0	0	0	110.7	Y216 T223 A261 L266	Y216-F225 WeakPolarHBondContact OH-CA 3.39Å; T223-F225 WeakPolarHBondContact O-CD2 3.49Å; T223-F225 PolarHBondContact O-N 3.19Å; T223-F225 PolarHBondContact OG1-N 2.92Å; T223-F225 PolarHBondContact OG1-O 2.95Å; F225-A261 HydrophobicContact CE1-CB 4.19Å; F225-L266 HydrophobicContact CB-CB 4Å; F225-L266 HydrophobicContact CB-CD1 4.28Å; F225-L266 HydrophobicContact CB-CD2 4.14Å; F225-L266 HydrophobicContact CB-CG 4.37Å; F225-L266 HydrophobicContact CD1-CB 4.17Å; F225-L266 HydrophobicContact CG-CB 4.24Å; F225-L266 HydrophobicContact CG-CD1 4.33Å
226	M	95.8	Very high	92.4	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	121.1	165.8	-63.3	-167	-167.4	0	0	109.5	Y216 Y219 A220 N230 L267 F272	Y216-M226 HydrophobicContact CD2-CE 3.44Å; Y216-M226 VanDerWaalsContact CD2-CE 3.44Å; Y216-M226 HydrophobicContact CD2-CG 4.3Å; Y216-M226 HydrophobicContact CD2-SD 4.41Å; Y216-M226 HydrophobicContact CE2-CE 4.03Å; Y216-M226 HydrophobicContact CE2-CG 3.92Å; Y216-M226 HydrophobicContact CE2-SD 4.5Å; Y216-M226 HydrophobicContact CG-CE 3.94Å; Y216-M226 WeakPolarHBondContact O-CE 3.41Å; Y219-M226 HydrophobicContact CG-CE 4.38Å; A220-M226 HydrophobicContact CB-CG 4.02Å; M226-N230 HydrophobicContact CB-CB 4.04Å; M226-N230 HydrophobicContact CG-CB 4.36Å; M226-L267 HydrophobicContact CB-CB 4.25Å; M226-L267 PolarHBondContact N-O 3.22Å; M226-L267 PolarHBondContact O-N 3.31Å; M226-F272 HydrophobicContact CE-CD2 4.2Å; M226-F272 HydrophobicContact CE-CE2 4.14Å; M226-F272 HydrophobicContact CE-CZ 4.42Å; M226-F272 HydrophobicContact SD-CD2 4.42Å
227	N	95.4	Very high	92.4	Very high	64 Å²	64	49.7 Å²	49.7	34%	0.342	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	172.9	163.8	66	49.1	0	0	0	110.5	G229 N230 L231 L266	N227-G229 PolarHBondContact O-N 2.78Å; N227-G229 VanDerWaalsContact O-N 3.14Å; N227-G229 WeakPolarHBondContact OD1-CA 3.5Å; N227-G229 PolarHBondContact OD1-N 3.48Å; N227-N230 PolarHBondContact N-OD1 3.34Å; N227-N230 PolarHBondContact ND2-OD1 2.83Å; N227-N230 PolarHBondContact O-N 3.04Å; N227-N230 VanDerWaalsContact O-N 3.08Å; N227-N230 PolarHBondContact OD1-N 3.26Å; N227-N230 PolarHBondContact OD1-OD1 3.16Å; N227-L231 PolarHBondContact O-N 3.24Å; N227-L266 HydrophobicContact CB-CD2 3.91Å
228	A	95.3	Very high	92.5	Very high	8 Å²	8	50.3 Å²	50.3	7%	0.066	28%	0.276	C	S	.	.	H	α-helix	trans	-55.1	-32.9	179.1	0	0	0	0	0	114.2	L232 L245 A248 Q249 I252	A228-L232 VanDerWaalsContact O-CB 3.28Å; A228-L232 WeakPolarHBondContact O-CB 3.32Å; A228-L232 PolarHBondContact O-N 2.89Å; A228-L245 HydrophobicContact CB-CD1 3.84Å; A228-L245 HydrophobicContact CB-CG 4.45Å; A228-A248 HydrophobicContact CB-CB 4.42Å; A228-A248 WeakPolarHBondContact O-CB 3.28Å; A228-Q249 HydrophobicContact CB-CG 3.58Å; A228-I252 HydrophobicContact CB-CD1 4.15Å
229	G	95.6	Very high	92.6	Very high	33 Å²	33	45.5 Å²	45.5	34%	0.34	25%	0.254	S	S	.	.	H	α-helix	trans	-69.8	-43.5	176.2	0	0	0	0	0	112.5	N227 L232 E233	N227-G229 PolarHBondContact O-N 2.78Å; N227-G229 VanDerWaalsContact O-N 3.14Å; N227-G229 WeakPolarHBondContact OD1-CA 3.5Å; N227-G229 PolarHBondContact OD1-N 3.48Å; G229-L232 PolarHBondContact O-N 3.25Å; G229-E233 PolarHBondContact O-N 2.87Å
230	N	96.4	Very high	92.6	Very high	30 Å²	30	51.4 Å²	51.4	16%	0.16	28%	0.276	C	S	.	.	H	α-helix	trans	-63	-43.8	174.7	-59.3	131.1	0	0	0	111.5	Y219 M226 N227 E233 F234	Y219-N230 WeakPolarHBondContact O-CB 3.49Å; Y219-N230 VanDerWaalsContact O-CG 3.26Å; M226-N230 HydrophobicContact CB-CB 4.04Å; M226-N230 HydrophobicContact CG-CB 4.36Å; N227-N230 PolarHBondContact N-OD1 3.34Å; N227-N230 PolarHBondContact ND2-OD1 2.83Å; N227-N230 PolarHBondContact O-N 3.04Å; N227-N230 VanDerWaalsContact O-N 3.08Å; N227-N230 PolarHBondContact OD1-N 3.26Å; N227-N230 PolarHBondContact OD1-OD1 3.16Å; N230-E233 WeakPolarHBondContact O-CB 3.31Å; N230-E233 PolarHBondContact O-N 3.22Å; N230-F234 PolarHBondContact O-N 2.94Å
231	L	96.1	Very high	92.6	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-63.5	-43.7	177	179.1	62.2	0	0	0	111.4	N227 E233 F234 L235 A248 I251 I252 L267	N227-L231 PolarHBondContact O-N 3.24Å; L231-E233 VanDerWaalsContact C-N 3.26Å; L231-E233 PolarHBondContact O-N 2.98Å; L231-F234 HydrophobicContact CD1-CD1 4.31Å; L231-F234 WeakPolarHBondContact O-CB 3.33Å; L231-F234 PolarHBondContact O-N 3.24Å; L231-L235 HydrophobicContact CD1-CD1 4.23Å; L231-L235 HydrophobicContact CD1-CG 4.21Å; L231-L235 HydrophobicContact CD2-CD1 4.46Å; L231-L235 HydrophobicContact CG-CD1 3.84Å; L231-L235 HydrophobicContact CG-CG 4.29Å; L231-L235 WeakPolarHBondContact O-CB 3.49Å; L231-L235 WeakPolarHBondContact O-CG 3.36Å; L231-L235 PolarHBondContact O-N 3.43Å; L231-A248 HydrophobicContact CB-CB 4.44Å; L231-A248 HydrophobicContact CD2-CB 4.15Å; L231-A248 HydrophobicContact CG-CB 4.3Å; L231-I251 HydrophobicContact CD2-CB 4.07Å; L231-I251 HydrophobicContact CD2-CG2 3.82Å; L231-I252 HydrophobicContact CD2-CD1 4.19Å; L231-I252 HydrophobicContact CD2-CG1 3.68Å; L231-L267 HydrophobicContact CD1-CD2 4.05Å; L231-L267 HydrophobicContact CD2-CD2 4.17Å
232	L	96.8	Very high	93.2	Very high	38 Å²	38	56.5 Å²	56.5	20%	0.199	30%	0.298	C	S	.	.	H	α-helix	trans	-58.8	-40.3	174.8	177.3	62.6	0	0	0	111.6	A228 G229 L235 T236 L243 L245 A248	A228-L232 VanDerWaalsContact O-CB 3.28Å; A228-L232 WeakPolarHBondContact O-CB 3.32Å; A228-L232 PolarHBondContact O-N 2.89Å; G229-L232 PolarHBondContact O-N 3.25Å; L232-L235 PolarHBondContact O-N 3.14Å; L232-T236 WeakPolarHBondContact O-CB 3.37Å; L232-T236 PolarHBondContact O-N 3.39Å; L232-T236 PolarHBondContact O-OG1 3.47Å; L232-L243 HydrophobicContact CD1-CB 4.42Å; L232-L243 VanDerWaalsContact CD1-O 3.31Å; L232-L243 WeakPolarHBondContact CD1-O 3.36Å; L232-L245 HydrophobicContact CB-CD1 4.5Å; L232-L245 HydrophobicContact CD2-CB 4.12Å; L232-L245 HydrophobicContact CD2-CD1 4.17Å; L232-A248 HydrophobicContact CB-CB 4.12Å
233	E	96.1	Very high	94	Very high	79 Å²	79	53.8 Å²	53.8	37%	0.369	28%	0.278	S	S	.	.	H	α-helix	trans	-61.2	-47.4	176.4	-165.3	-177.6	176.4	0	0	111.4	Y219 G229 N230 L231 T236 K237	Y219-E233 HydrophobicContact CD1-CB 4.23Å; Y219-E233 HydrophobicContact CD1-CG 4.4Å; Y219-E233 HydrophobicContact CE1-CB 4.12Å; Y219-E233 HydrophobicContact CE1-CG 3.94Å; G229-E233 PolarHBondContact O-N 2.87Å; N230-E233 WeakPolarHBondContact O-CB 3.31Å; N230-E233 PolarHBondContact O-N 3.22Å; L231-E233 VanDerWaalsContact C-N 3.26Å; L231-E233 PolarHBondContact O-N 2.98Å; E233-T236 PolarHBondContact O-N 3.31Å; E233-K237 HydrophobicContact CG-CD 3.87Å; E233-K237 HydrophobicContact CG-CG 4.36Å; E233-K237 VanDerWaalsContact O-CB 3.29Å; E233-K237 WeakPolarHBondContact O-CB 3.3Å; E233-K237 WeakPolarHBondContact O-CG 3.42Å; E233-K237 PolarHBondContact O-N 2.73Å; E233-K237 WeakPolarHBondContact OE1-CE 3.26Å; E233-K237 IonicContact OE1-NZ 2.63Å; E233-K237 PolarHBondContact OE1-NZ 2.9Å
234	F	96.7	Very high	94.7	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-58.2	-49.3	173.7	168.1	-97.9	0	0	0	112.1	I215 Y219 N230 L231 T236 K237 E238 Q239 F272 Y275 L276 Y725	I215-F234 HydrophobicContact CG2-CD2 4.3Å; I215-F234 HydrophobicContact CG2-CE2 3.66Å; Y219-F234 HydrophobicContact CD1-CB 3.9Å; Y219-F234 HydrophobicContact CD2-CB 4.12Å; Y219-F234 AromaticContact CD2-CD2 3.99Å; Y219-F234 HydrophobicContact CD2-CD2 3.99Å; Y219-F234 HydrophobicContact CE1-CB 3.94Å; Y219-F234 HydrophobicContact CE2-CB 4.19Å; Y219-F234 AromaticContact CE2-CD2 3.77Å; Y219-F234 HydrophobicContact CE2-CD2 3.77Å; Y219-F234 HydrophobicContact CE2-CG 4.49Å; Y219-F234 HydrophobicContact CG-CB 4Å; N230-F234 PolarHBondContact O-N 2.94Å; L231-F234 HydrophobicContact CD1-CD1 4.31Å; L231-F234 WeakPolarHBondContact O-CB 3.33Å; L231-F234 PolarHBondContact O-N 3.24Å; F234-T236 VanDerWaalsContact C-N 3.27Å; F234-T236 PolarHBondContact O-N 3.38Å; F234-K237 PolarHBondContact O-N 2.95Å; F234-E238 HydrophobicContact CD2-CB 3.88Å; F234-E238 HydrophobicContact CD2-CG 3.61Å; F234-E238 HydrophobicContact CE2-CB 3.79Å; F234-E238 HydrophobicContact CE2-CG 3.87Å; F234-E238 HydrophobicContact CZ-CB 4.49Å; F234-E238 WeakPolarHBondContact O-CB 3.35Å; F234-E238 PolarHBondContact O-N 2.89Å; F234-Q239 HydrophobicContact CD1-CG 4.15Å; F234-Q239 HydrophobicContact CE1-CG 3.49Å; F234-Q239 VanDerWaalsContact CE1-CG 3.49Å; F234-Q239 HydrophobicContact CZ-CG 3.8Å; F234-Q239 VanDerWaalsContact CZ-NE2 3.3Å; F234-Q239 PolarHBondContact O-N 3.02Å; F234-F272 AromaticContact CD1-CE2 3.85Å; F234-F272 HydrophobicContact CD1-CE2 3.85Å; F234-F272 HydrophobicContact CD1-CZ 4.43Å; F234-F272 HydrophobicContact CD2-CE2 4.48Å; F234-F272 HydrophobicContact CD2-CZ 4.39Å; F234-F272 AromaticContact CE1-CE2 3.52Å; F234-F272 HydrophobicContact CE1-CE2 3.52Å; F234-F272 AromaticContact CE1-CZ 3.87Å; F234-F272 HydrophobicContact CE1-CZ 3.87Å; F234-F272 HydrophobicContact CE2-CE2 4.2Å; F234-F272 AromaticContact CE2-CZ 3.82Å; F234-F272 HydrophobicContact CE2-CZ 3.82Å; F234-F272 HydrophobicContact CG-CE2 4.32Å; F234-F272 AromaticContact CZ-CE2 3.71Å; F234-F272 HydrophobicContact CZ-CE2 3.71Å; F234-F272 AromaticContact CZ-CZ 3.52Å; F234-F272 HydrophobicContact CZ-CZ 3.52Å; F234-Y275 HydrophobicContact CE1-CE1 4.14Å; F234-L276 HydrophobicContact CZ-CD2 4.38Å; F234-Y725 AromaticContact CE2-CD2 3.91Å; F234-Y725 HydrophobicContact CE2-CD2 3.91Å; F234-Y725 HydrophobicContact CE2-CE2 4.43Å; F234-Y725 HydrophobicContact CZ-CD2 4.27Å
235	L	96.4	Very high	95.1	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-60.1	-38.7	-179.8	-69.2	167.5	0	0	0	111.8	L231 L232 Q239 R240 E241 L243 A248 I251 Y275	L231-L235 HydrophobicContact CD1-CD1 4.23Å; L231-L235 HydrophobicContact CD1-CG 4.21Å; L231-L235 HydrophobicContact CD2-CD1 4.46Å; L231-L235 HydrophobicContact CG-CD1 3.84Å; L231-L235 HydrophobicContact CG-CG 4.29Å; L231-L235 WeakPolarHBondContact O-CB 3.49Å; L231-L235 WeakPolarHBondContact O-CG 3.36Å; L231-L235 PolarHBondContact O-N 3.43Å; L232-L235 PolarHBondContact O-N 3.14Å; L235-Q239 HydrophobicContact CD2-CG 4.33Å; L235-Q239 CarbonylContact O-C 3.54Å; L235-Q239 WeakPolarHBondContact O-CA 3.5Å; L235-Q239 WeakPolarHBondContact O-CB 3.27Å; L235-Q239 PolarHBondContact O-N 3.09Å; L235-R240 PolarHBondContact O-N 3.44Å; L235-R240 VanDerWaalsContact O-N 3.08Å; L235-E241 HydrophobicContact CB-CB 4.48Å; L235-E241 PolarHBondContact O-N 3.16Å; L235-L243 HydrophobicContact CB-CD1 4.34Å; L235-L243 HydrophobicContact CD1-CD1 3.85Å; L235-L243 HydrophobicContact CD2-CD1 4.21Å; L235-L243 HydrophobicContact CG-CD1 4.36Å; L235-A248 HydrophobicContact CD1-CB 4.35Å; L235-I251 HydrophobicContact CD1-CD1 3.76Å; L235-I251 HydrophobicContact CD2-CD1 4.45Å; L235-Y275 HydrophobicContact CD2-CE1 4.09Å; L235-Y275 HydrophobicContact CD2-CE2 4.36Å; L235-Y275 WeakPolarHBondContact CD2-OH 3.38Å
236	T	95.6	Very high	95.3	Very high	66 Å²	66	53.6 Å²	53.6	41%	0.405	28%	0.275	S	S	.	.	H	α-helix	trans	-78.9	-44.1	-178.5	-51.4	0	0	0	0	112.1	L232 E233 F234 R240	L232-T236 WeakPolarHBondContact O-CB 3.37Å; L232-T236 PolarHBondContact O-N 3.39Å; L232-T236 PolarHBondContact O-OG1 3.47Å; E233-T236 PolarHBondContact O-N 3.31Å; F234-T236 VanDerWaalsContact C-N 3.27Å; F234-T236 PolarHBondContact O-N 3.38Å; T236-R240 WeakPolarHBondContact O-CA 3.43Å
237	K	95.2	Very high	95.3	Very high	106 Å²	106	55.6 Å²	55.6	46%	0.461	29%	0.286	S	S	.	.	H	α-helix	trans	-80.6	-52.1	-174	-71.8	-173.3	177.5	175.8	0	112.5	E233 F234 R240	E233-K237 HydrophobicContact CG-CD 3.87Å; E233-K237 HydrophobicContact CG-CG 4.36Å; E233-K237 VanDerWaalsContact O-CB 3.29Å; E233-K237 WeakPolarHBondContact O-CB 3.3Å; E233-K237 WeakPolarHBondContact O-CG 3.42Å; E233-K237 PolarHBondContact O-N 2.73Å; E233-K237 WeakPolarHBondContact OE1-CE 3.26Å; E233-K237 IonicContact OE1-NZ 2.63Å; E233-K237 PolarHBondContact OE1-NZ 2.9Å; F234-K237 PolarHBondContact O-N 2.95Å; K237-R240 PolarHBondContact O-NE 3.44Å
238	E	95.2	Very high	95.3	Very high	47 Å²	47	52.6 Å²	52.6	22%	0.22	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-51.3	-175.3	-52	-58.5	158.9	0	0	110.7	Y219 F234 R240 G724 Y725	Y219-E238 HydrophobicContact CE2-CG 3.93Å; Y219-E238 VanDerWaalsContact OH-CG 3.23Å; Y219-E238 WeakPolarHBondContact OH-CG 3.39Å; Y219-E238 PolarHBondContact OH-OE1 2.85Å; F234-E238 HydrophobicContact CD2-CB 3.88Å; F234-E238 HydrophobicContact CD2-CG 3.61Å; F234-E238 HydrophobicContact CE2-CB 3.79Å; F234-E238 HydrophobicContact CE2-CG 3.87Å; F234-E238 HydrophobicContact CZ-CB 4.49Å; F234-E238 WeakPolarHBondContact O-CB 3.35Å; F234-E238 PolarHBondContact O-N 2.89Å; E238-R240 VanDerWaalsContact C-N 3.3Å; E238-R240 PolarHBondContact O-N 2.98Å; E238-G724 WeakPolarHBondContact O-CA 3.4Å; E238-Y725 HydrophobicContact CB-CD2 3.89Å; E238-Y725 HydrophobicContact CB-CE2 3.86Å; E238-Y725 HydrophobicContact CG-CD2 4.4Å; E238-Y725 HydrophobicContact CG-CE2 3.96Å
239	Q	95.6	Very high	95.3	Very high	2 Å²	2	56.4 Å²	56.4	1%	0.009	29%	0.286	C	S	.	.	S	Bend	trans	-80.1	-11.3	-175.4	-57.4	-70.1	5	0	0	114.2	F234 L235 E241 M723 Y725 R726	F234-Q239 HydrophobicContact CD1-CG 4.15Å; F234-Q239 HydrophobicContact CE1-CG 3.49Å; F234-Q239 VanDerWaalsContact CE1-CG 3.49Å; F234-Q239 HydrophobicContact CZ-CG 3.8Å; F234-Q239 VanDerWaalsContact CZ-NE2 3.3Å; F234-Q239 PolarHBondContact O-N 3.02Å; L235-Q239 HydrophobicContact CD2-CG 4.33Å; L235-Q239 CarbonylContact O-C 3.54Å; L235-Q239 WeakPolarHBondContact O-CA 3.5Å; L235-Q239 WeakPolarHBondContact O-CB 3.27Å; L235-Q239 PolarHBondContact O-N 3.09Å; Q239-E241 HydrophobicContact CB-CG 3.63Å; Q239-E241 PolarHBondContact O-N 2.77Å; Q239-E241 VanDerWaalsContact O-N 3.16Å; Q239-M723 VanDerWaalsContact O-O 3.09Å; Q239-M723 PolarHBondContact OE1-O 3.31Å; Q239-Y725 PolarHBondContact NE2-O 2.83Å; Q239-Y725 VanDerWaalsContact OE1-N 3.16Å; Q239-Y725 PolarHBondContact OE1-O 3.4Å; Q239-R726 PolarHBondContact O-NH2 2.95Å; Q239-R726 VanDerWaalsContact OE1-NE 3.12Å
240	R	95.2	Very high	95.3	Very high	139 Å²	139	60.8 Å²	60.8	53%	0.525	30%	0.296	S	S	.	.			trans	54.3	27.7	-176.5	-55.9	-62.8	-168.5	176	-0.8	113.6	L235 T236 K237 E238 M723 M748	L235-R240 PolarHBondContact O-N 3.44Å; L235-R240 VanDerWaalsContact O-N 3.08Å; T236-R240 WeakPolarHBondContact O-CA 3.43Å; K237-R240 PolarHBondContact O-NE 3.44Å; E238-R240 VanDerWaalsContact C-N 3.3Å; E238-R240 PolarHBondContact O-N 2.98Å; R240-M723 HydrophobicContact CB-CB 4.07Å; R240-M723 HydrophobicContact CB-SD 4.36Å; R240-M723 HydrophobicContact CG-CB 4.03Å; R240-M723 HydrophobicContact CG-SD 4.29Å; R240-M748 HydrophobicContact CG-CE 3.77Å; R240-M748 HydrophobicContact CG-SD 4.4Å
241	E	92.6	Very high	95.2	Very high	39 Å²	39	60.4 Å²	60.4	18%	0.182	29%	0.294	C	S	.	.			trans	-81.3	143.7	179	-59.1	-74.2	-174.3	0	0	110.2	L235 Q239 L243 K722 R726	L235-E241 HydrophobicContact CB-CB 4.48Å; L235-E241 PolarHBondContact O-N 3.16Å; Q239-E241 HydrophobicContact CB-CG 3.63Å; Q239-E241 PolarHBondContact O-N 2.77Å; Q239-E241 VanDerWaalsContact O-N 3.16Å; E241-L243 HydrophobicContact CB-CD1 3.75Å; E241-L243 HydrophobicContact CB-CG 3.88Å; E241-L243 HydrophobicContact CG-CD1 4.26Å; E241-L243 PolarHBondContact O-N 2.9Å; E241-K722 WeakPolarHBondContact OE1-CE 3.32Å; E241-K722 IonicContact OE1-NZ 3.8Å; E241-K722 PolarHBondContact OE1-NZ 2.88Å; E241-K722 IonicContact OE2-NZ 2.76Å; E241-R726 IonicContact OE1-CZ 3.44Å; E241-R726 IonicContact OE1-NH1 3.47Å; E241-R726 PolarHBondContact OE1-NH1 3.4Å; E241-R726 IonicContact OE1-NH2 3.27Å; E241-R726 PolarHBondContact OE1-NH2 3.18Å
242	K	91.7	Very high	95.2	Very high	210 Å²	210	60.5 Å²	60.5	91%	0.913	29%	0.294	S	S	*	.			trans	-97.3	68.3	175.4	-64.4	-179.3	-176	174.3	0	109.8
243	L	92.8	Very high	95.1	Very high	60 Å²	60	65 Å²	65	31%	0.314	32%	0.315	S	S	.	.			trans	-105.9	162.6	-175.9	-67.4	171.1	0	0	0	112.2	L232 L235 E241 D247 I251	L232-L243 HydrophobicContact CD1-CB 4.42Å; L232-L243 VanDerWaalsContact CD1-O 3.31Å; L232-L243 WeakPolarHBondContact CD1-O 3.36Å; L235-L243 HydrophobicContact CB-CD1 4.34Å; L235-L243 HydrophobicContact CD1-CD1 3.85Å; L235-L243 HydrophobicContact CD2-CD1 4.21Å; L235-L243 HydrophobicContact CG-CD1 4.36Å; E241-L243 HydrophobicContact CB-CD1 3.75Å; E241-L243 HydrophobicContact CB-CG 3.88Å; E241-L243 HydrophobicContact CG-CD1 4.26Å; E241-L243 PolarHBondContact O-N 2.9Å; L243-D247 HydrophobicContact CB-CB 4.22Å; L243-D247 HydrophobicContact CD2-CB 4Å; L243-I251 HydrophobicContact CD1-CD1 4.36Å
244	T	95.4	Very high	94.9	Very high	75 Å²	75	66.8 Å²	66.8	46%	0.46	32%	0.321	S	S	.	.			trans	-103	167.4	175.5	71.6	0	0	0	0	111.7	A246 D247 A248	T244-A246 PolarHBondContact O-N 3.16Å; T244-A246 PolarHBondContact OG1-N 3.14Å; T244-D247 WeakPolarHBondContact CB-OD2 3.22Å; T244-D247 PolarHBondContact N-OD2 2.94Å; T244-D247 PolarHBondContact O-N 3.26Å; T244-D247 VanDerWaalsContact OG1-CG 3.27Å; T244-D247 PolarHBondContact OG1-N 2.82Å; T244-D247 PolarHBondContact OG1-OD2 2.93Å; T244-A248 PolarHBondContact O-N 2.9Å
245	L	95.8	Very high	94.5	Very high	82 Å²	82	67.6 Å²	67.6	43%	0.429	32%	0.324	S	S	.	.	H	α-helix	trans	-58.6	-34.3	173.6	-170.6	69.5	0	0	0	112.1	A228 L232 D247 A248 Q249	A228-L245 HydrophobicContact CB-CD1 3.84Å; A228-L245 HydrophobicContact CB-CG 4.45Å; L232-L245 HydrophobicContact CB-CD1 4.5Å; L232-L245 HydrophobicContact CD2-CB 4.12Å; L232-L245 HydrophobicContact CD2-CD1 4.17Å; L245-D247 VanDerWaalsContact C-N 3.33Å; L245-A248 PolarHBondContact O-N 3.15Å; L245-Q249 WeakPolarHBondContact O-CG 3.27Å; L245-Q249 PolarHBondContact O-N 3.35Å
246	A	96.2	Very high	94.2	Very high	47 Å²	47	67.8 Å²	67.8	39%	0.388	33%	0.325	S	S	.	.	H	α-helix	trans	-67.3	-34.8	176.6	0	0	0	0	0	111.8	T244 Q249 K250	T244-A246 PolarHBondContact O-N 3.16Å; T244-A246 PolarHBondContact OG1-N 3.14Å; A246-Q249 PolarHBondContact O-N 3.41Å; A246-K250 WeakPolarHBondContact O-CG 3.47Å; A246-K250 PolarHBondContact O-N 3.07Å
247	D	94.8	Very high	93.4	Very high	43 Å²	43	67.9 Å²	67.9	23%	0.23	33%	0.327	C	S	.	.	H	α-helix	trans	-70.9	-40.2	175.9	-54.9	-48	0	0	0	111.1	L243 T244 L245 Q249 K250 I251	L243-D247 HydrophobicContact CB-CB 4.22Å; L243-D247 HydrophobicContact CD2-CB 4Å; T244-D247 WeakPolarHBondContact CB-OD2 3.22Å; T244-D247 PolarHBondContact N-OD2 2.94Å; T244-D247 PolarHBondContact O-N 3.26Å; T244-D247 VanDerWaalsContact OG1-CG 3.27Å; T244-D247 PolarHBondContact OG1-N 2.82Å; T244-D247 PolarHBondContact OG1-OD2 2.93Å; L245-D247 VanDerWaalsContact C-N 3.33Å; D247-Q249 VanDerWaalsContact C-N 3.3Å; D247-Q249 PolarHBondContact O-N 3.27Å; D247-K250 WeakPolarHBondContact O-CB 3.36Å; D247-K250 PolarHBondContact O-N 3.25Å; D247-K250 IonicContact OD1-NZ 2.9Å; D247-K250 PolarHBondContact OD1-NZ 3.27Å; D247-I251 WeakPolarHBondContact O-CG1 3.11Å; D247-I251 PolarHBondContact O-N 2.77Å
248	A	95.5	Very high	92.8	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-57.9	-43.1	171.2	0	0	0	0	0	111.3	A228 L231 L232 L235 T244 L245 K250 I251 I252	A228-A248 HydrophobicContact CB-CB 4.42Å; A228-A248 WeakPolarHBondContact O-CB 3.28Å; L231-A248 HydrophobicContact CB-CB 4.44Å; L231-A248 HydrophobicContact CD2-CB 4.15Å; L231-A248 HydrophobicContact CG-CB 4.3Å; L232-A248 HydrophobicContact CB-CB 4.12Å; L235-A248 HydrophobicContact CD1-CB 4.35Å; T244-A248 PolarHBondContact O-N 2.9Å; L245-A248 PolarHBondContact O-N 3.15Å; A248-K250 PolarHBondContact O-N 2.95Å; A248-I251 WeakPolarHBondContact O-CB 2.82Å; A248-I251 PolarHBondContact O-N 2.87Å; A248-I252 WeakPolarHBondContact O-CG1 3.38Å; A248-I252 PolarHBondContact O-N 3.04Å
249	Q	96.1	Very high	92.2	Very high	88 Å²	88	70.1 Å²	70.1	41%	0.411	34%	0.341	S	S	.	.	H	α-helix	trans	-59.9	-43	174.6	-74.1	173	-23.4	0	0	112.8	A228 L245 A246 D247 I251 I252 E253	A228-Q249 HydrophobicContact CB-CG 3.58Å; L245-Q249 WeakPolarHBondContact O-CG 3.27Å; L245-Q249 PolarHBondContact O-N 3.35Å; A246-Q249 PolarHBondContact O-N 3.41Å; D247-Q249 VanDerWaalsContact C-N 3.3Å; D247-Q249 PolarHBondContact O-N 3.27Å; Q249-I251 VanDerWaalsContact C-N 3.31Å; Q249-I251 PolarHBondContact O-N 2.99Å; Q249-I252 PolarHBondContact O-N 2.98Å; Q249-E253 PolarHBondContact O-N 2.9Å
250	K	95.8	Very high	92	Very high	126 Å²	126	76.8 Å²	76.8	55%	0.548	37%	0.373	S	S	.	.	H	α-helix	trans	-62.8	-37.6	176.3	-69.9	170.8	-169.7	162.1	0	112.4	A246 D247 A248 E253 K254	A246-K250 WeakPolarHBondContact O-CG 3.47Å; A246-K250 PolarHBondContact O-N 3.07Å; D247-K250 WeakPolarHBondContact O-CB 3.36Å; D247-K250 PolarHBondContact O-N 3.25Å; D247-K250 IonicContact OD1-NZ 2.9Å; D247-K250 PolarHBondContact OD1-NZ 3.27Å; A248-K250 PolarHBondContact O-N 2.95Å; K250-E253 PolarHBondContact O-N 3.32Å; K250-K254 VanDerWaalsContact O-CB 3.27Å; K250-K254 WeakPolarHBondContact O-CB 3.2Å; K250-K254 PolarHBondContact O-N 3.4Å
251	I	94.7	Very high	91.7	Very high	22 Å²	22	70.4 Å²	70.4	11%	0.113	35%	0.349	C	S	.	.	H	α-helix	trans	-61	-47.9	174.3	-69	168.4	0	0	0	109.1	L231 L235 L243 D247 A248 Q249 E253 K254 Y255 Y275	L231-I251 HydrophobicContact CD2-CB 4.07Å; L231-I251 HydrophobicContact CD2-CG2 3.82Å; L235-I251 HydrophobicContact CD1-CD1 3.76Å; L235-I251 HydrophobicContact CD2-CD1 4.45Å; L243-I251 HydrophobicContact CD1-CD1 4.36Å; D247-I251 WeakPolarHBondContact O-CG1 3.11Å; D247-I251 PolarHBondContact O-N 2.77Å; A248-I251 WeakPolarHBondContact O-CB 2.82Å; A248-I251 PolarHBondContact O-N 2.87Å; Q249-I251 VanDerWaalsContact C-N 3.31Å; Q249-I251 PolarHBondContact O-N 2.99Å; I251-E253 PolarHBondContact O-N 3.37Å; I251-K254 PolarHBondContact O-N 3.07Å; I251-Y255 HydrophobicContact CB-CD2 4.36Å; I251-Y255 HydrophobicContact CB-CE2 4.44Å; I251-Y255 HydrophobicContact CG2-CD2 3.61Å; I251-Y255 HydrophobicContact CG2-CE2 3.9Å; I251-Y255 WeakPolarHBondContact O-CD2 3.11Å; I251-Y255 PolarHBondContact O-N 3.48Å; I251-Y275 HydrophobicContact CD1-CE2 4.1Å; I251-Y275 HydrophobicContact CG2-CD2 3.59Å; I251-Y275 HydrophobicContact CG2-CE2 4.19Å; I251-Y275 HydrophobicContact CG2-CG 4.05Å
252	I	95.3	Very high	91.5	Very high	1 Å²	1	70.8 Å²	70.8	1%	0.005	35%	0.35	C	S	.	.	H	α-helix	trans	-59.3	-47	176.9	-59	-178.8	0	0	0	111.2	A228 L231 A248 Q249 K254 Y255 E256 S265 L266 L267	A228-I252 HydrophobicContact CB-CD1 4.15Å; L231-I252 HydrophobicContact CD2-CD1 4.19Å; L231-I252 HydrophobicContact CD2-CG1 3.68Å; A248-I252 WeakPolarHBondContact O-CG1 3.38Å; A248-I252 PolarHBondContact O-N 3.04Å; Q249-I252 PolarHBondContact O-N 2.98Å; I252-K254 VanDerWaalsContact C-N 3.26Å; I252-K254 PolarHBondContact O-N 3Å; I252-Y255 PolarHBondContact O-N 3.1Å; I252-E256 HydrophobicContact CG2-CB 4.19Å; I252-E256 WeakPolarHBondContact O-CB 3.34Å; I252-E256 PolarHBondContact O-N 3.41Å; I252-S265 WeakPolarHBondContact CD1-O 3.39Å; I252-L266 WeakPolarHBondContact CG2-O 3.48Å; I252-L267 HydrophobicContact CD1-CB 4.2Å; I252-L267 HydrophobicContact CG1-CB 4.01Å; I252-L267 HydrophobicContact CG1-CD1 4.29Å; I252-L267 HydrophobicContact CG2-CB 4.43Å; I252-L267 HydrophobicContact CG2-CD1 4.43Å
253	E	94.6	Very high	91.3	Very high	134 Å²	134	64.1 Å²	64.1	63%	0.626	34%	0.341	S	S	*	.	H	α-helix	trans	-59.2	-37.9	178.4	-172.6	174.4	-165.2	0	0	112.5	Q249 K250 I251 K262	Q249-E253 PolarHBondContact O-N 2.9Å; K250-E253 PolarHBondContact O-N 3.32Å; I251-E253 PolarHBondContact O-N 3.37Å; E253-K262 VanDerWaalsContact O-CE 3.27Å; E253-K262 WeakPolarHBondContact O-CE 3.48Å
254	K	91.6	Very high	91.3	Very high	116 Å²	116	68.2 Å²	68.2	50%	0.504	36%	0.356	S	S	.	.	H	α-helix	trans	-75.2	-43.3	-178.8	-176.6	175.4	173.2	-165.7	0	113.2	K250 I251 I252 D278	K250-K254 VanDerWaalsContact O-CB 3.27Å; K250-K254 WeakPolarHBondContact O-CB 3.2Å; K250-K254 PolarHBondContact O-N 3.4Å; I251-K254 PolarHBondContact O-N 3.07Å; I252-K254 VanDerWaalsContact C-N 3.26Å; I252-K254 PolarHBondContact O-N 3Å; K254-D278 IonicContact NZ-OD2 3.96Å; K254-D278 PolarHBondContact NZ-OD2 3.21Å
255	Y	88.3	Confident	91.2	Very high	17 Å²	17	67 Å²	67	7%	0.067	35%	0.351	C	S	.	.	H	α-helix	trans	-106.9	-17.3	-168.2	-58.1	-72.6	0	0	0	115	I251 I252 P257 G271 M274 Y275 D278	I251-Y255 HydrophobicContact CB-CD2 4.36Å; I251-Y255 HydrophobicContact CB-CE2 4.44Å; I251-Y255 HydrophobicContact CG2-CD2 3.61Å; I251-Y255 HydrophobicContact CG2-CE2 3.9Å; I251-Y255 WeakPolarHBondContact O-CD2 3.11Å; I251-Y255 PolarHBondContact O-N 3.48Å; I252-Y255 PolarHBondContact O-N 3.1Å; Y255-P257 WeakPolarHBondContact O-CD 3.41Å; Y255-G271 WeakPolarHBondContact O-CA 3.28Å; Y255-M274 HydrophobicContact CD1-CB 4.24Å; Y255-Y275 HydrophobicContact CD2-CD2 4.19Å; Y255-Y275 AromaticContact CE2-CD2 3.91Å; Y255-Y275 HydrophobicContact CE2-CD2 3.91Å; Y255-D278 HydrophobicContact CE1-CB 3.84Å; Y255-D278 WeakPolarHBondContact CE1-OD2 3.45Å; Y255-D278 VanDerWaalsContact CZ-OD2 3.31Å; Y255-D278 WeakPolarHBondContact OH-CB 3.25Å; Y255-D278 PolarHBondContact OH-OD1 3.35Å; Y255-D278 PolarHBondContact OH-OD2 3.05Å
256	E	90.7	Very high	91.2	Very high	3 Å²	3	64.9 Å²	64.9	1%	0.014	34%	0.34	C	S	.	.			trans	-67.1	120.5	179.9	-178.8	53.1	-140.7	0	0	110.8	I252 D258 A261 K262 L267 S268	I252-E256 HydrophobicContact CG2-CB 4.19Å; I252-E256 WeakPolarHBondContact O-CB 3.34Å; I252-E256 PolarHBondContact O-N 3.41Å; E256-D258 WeakPolarHBondContact CG-O 3.29Å; E256-D258 PolarHBondContact OE1-N 3.41Å; E256-A261 HydrophobicContact CG-CB 3.99Å; E256-K262 HydrophobicContact CB-CB 4.15Å; E256-K262 HydrophobicContact CB-CG 4.48Å; E256-K262 HydrophobicContact CG-CB 3.96Å; E256-K262 WeakPolarHBondContact O-CE 3.19Å; E256-K262 PolarHBondContact O-NZ 2.84Å; E256-L267 HydrophobicContact CB-CD1 4.32Å; E256-L267 WeakPolarHBondContact OE2-CA 3.34Å; E256-S268 VanDerWaalsContact CD-OG 3.26Å; E256-S268 WeakPolarHBondContact OE1-CB 3.22Å; E256-S268 PolarHBondContact OE1-OG 3.1Å; E256-S268 PolarHBondContact OE2-N 3.23Å; E256-S268 PolarHBondContact OE2-OG 3Å
257	P	79.4	Confident	91.1	Very high	68 Å²	68	62.7 Å²	62.7	44%	0.442	32%	0.321	S	S	.	.			trans	-78.3	-31.4	178.8	29.8	-35.6	0	0	0	113.3	Y255 E259 D270 M274	Y255-P257 WeakPolarHBondContact O-CD 3.41Å; P257-E259 PolarHBondContact O-N 2.69Å; P257-D270 HydrophobicContact CG-CB 4.06Å; P257-M274 HydrophobicContact CB-SD 4.48Å
258	D	80.9	Confident	91.1	Very high	73 Å²	73	61.3 Å²	61.3	39%	0.39	32%	0.315	S	S	.	.			trans	-83.1	115.6	-179.8	174.7	39.9	0	0	0	111.8	E256 Q260 A261 K262	E256-D258 WeakPolarHBondContact CG-O 3.29Å; E256-D258 PolarHBondContact OE1-N 3.41Å; D258-Q260 PolarHBondContact O-N 2.83Å; D258-Q260 PolarHBondContact OD1-N 3.24Å; D258-A261 HydrophobicContact CB-CB 4.06Å; D258-A261 PolarHBondContact O-N 3.05Å; D258-A261 WeakPolarHBondContact OD2-CB 3.42Å; D258-A261 PolarHBondContact OD2-N 3.06Å; D258-K262 VanDerWaalsContact O-CB 3.32Å; D258-K262 WeakPolarHBondContact O-CB 3.19Å; D258-K262 PolarHBondContact O-N 2.86Å
259	E	84.2	Confident	90.8	Very high	128 Å²	128	64.3 Å²	64.3	60%	0.598	33%	0.328	S	S	*	.	H	α-helix	trans	-61.3	-28.2	-179.7	-68.6	-59.1	135.2	0	0	113	P257 K262 G263	P257-E259 PolarHBondContact O-N 2.69Å; E259-K262 IonicContact OE1-NZ 3.77Å; E259-K262 PolarHBondContact OE1-NZ 3.11Å; E259-G263 PolarHBondContact O-N 3.48Å
260	Q	89.7	Confident	90.1	Very high	142 Å²	142	64.8 Å²	64.8	66%	0.664	33%	0.334	S	S	*	.	H	α-helix	trans	-73.5	-44.7	176.5	-62.8	-167.8	-0.1	0	0	112.3	D258 K264	D258-Q260 PolarHBondContact O-N 2.83Å; D258-Q260 PolarHBondContact OD1-N 3.24Å; Q260-K264 WeakPolarHBondContact O-CG 3.37Å; Q260-K264 PolarHBondContact O-N 2.83Å
261	A	88.8	Confident	89.6	Confident	4 Å²	4	58.8 Å²	58.8	3%	0.033	31%	0.307	C	S	.	.	H	α-helix	trans	-62	-44.8	172.6	0	0	0	0	0	111.2	F225 E256 D258 G263 K264 S265 L266	F225-A261 HydrophobicContact CE1-CB 4.19Å; E256-A261 HydrophobicContact CG-CB 3.99Å; D258-A261 HydrophobicContact CB-CB 4.06Å; D258-A261 PolarHBondContact O-N 3.05Å; D258-A261 WeakPolarHBondContact OD2-CB 3.42Å; D258-A261 PolarHBondContact OD2-N 3.06Å; A261-G263 PolarHBondContact O-N 3.04Å; A261-K264 CarbonylContact O-C 3.56Å; A261-K264 WeakPolarHBondContact O-CA 3.38Å; A261-K264 PolarHBondContact O-N 2.92Å; A261-S265 PolarHBondContact O-N 3.34Å; A261-L266 CarbonylContact C-O 3.52Å; A261-L266 HydrophobicContact CB-CB 4.3Å; A261-L266 PolarHBondContact O-N 2.68Å
262	K	88.6	Confident	89.5	Confident	48 Å²	48	57.7 Å²	57.7	21%	0.209	30%	0.302	C	S	.	.	H	α-helix	trans	-57.3	-47.2	176.5	-172	-178.7	-68.6	162.7	0	112.1	E253 E256 D258 E259 K264 S265	E253-K262 VanDerWaalsContact O-CE 3.27Å; E253-K262 WeakPolarHBondContact O-CE 3.48Å; E256-K262 HydrophobicContact CB-CB 4.15Å; E256-K262 HydrophobicContact CB-CG 4.48Å; E256-K262 HydrophobicContact CG-CB 3.96Å; E256-K262 WeakPolarHBondContact O-CE 3.19Å; E256-K262 PolarHBondContact O-NZ 2.84Å; D258-K262 VanDerWaalsContact O-CB 3.32Å; D258-K262 WeakPolarHBondContact O-CB 3.19Å; D258-K262 PolarHBondContact O-N 2.86Å; E259-K262 IonicContact OE1-NZ 3.77Å; E259-K262 PolarHBondContact OE1-NZ 3.11Å; K262-K264 PolarHBondContact O-N 3.32Å; K262-K264 VanDerWaalsContact O-N 3.12Å; K262-S265 PolarHBondContact O-N 3.09Å
263	G	88.5	Confident	89	Confident	69 Å²	69	59.3 Å²	59.3	71%	0.711	31%	0.311	S	S	*	.	H	α-helix	trans	-61.6	-18.9	176.6	0	0	0	0	0	114.4	E259 A261	E259-G263 PolarHBondContact O-N 3.48Å; A261-G263 PolarHBondContact O-N 3.04Å
264	K	92.8	Very high	88.5	Confident	146 Å²	146	56.5 Å²	56.5	64%	0.635	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.4	4.9	174.4	-64.3	173.4	-173.8	168.8	0	113.1	Q260 A261 K262 L266	Q260-K264 WeakPolarHBondContact O-CG 3.37Å; Q260-K264 PolarHBondContact O-N 2.83Å; A261-K264 CarbonylContact O-C 3.56Å; A261-K264 WeakPolarHBondContact O-CA 3.38Å; A261-K264 PolarHBondContact O-N 2.92Å; K262-K264 PolarHBondContact O-N 3.32Å; K262-K264 VanDerWaalsContact O-N 3.12Å; K264-L266 VanDerWaalsContact C-N 3.26Å; K264-L266 HydrophobicContact CB-CD1 3.97Å; K264-L266 HydrophobicContact CB-CG 3.96Å; K264-L266 HydrophobicContact CD-CD1 4.32Å; K264-L266 PolarHBondContact O-N 2.88Å
265	S	93.7	Very high	88.5	Confident	50 Å²	50	51.5 Å²	51.5	35%	0.35	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	43.9	-172.2	-54.9	0	0	0	0	113	I252 A261 K262	I252-S265 WeakPolarHBondContact CD1-O 3.39Å; A261-S265 PolarHBondContact O-N 3.34Å; K262-S265 PolarHBondContact O-N 3.09Å
266	L	95.4	Very high	88.6	Confident	38 Å²	38	50.8 Å²	50.8	20%	0.199	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	135.5	175.1	-64.7	178.4	0	0	0	109.5	F225 N227 I252 A261 K264	F225-L266 HydrophobicContact CB-CB 4Å; F225-L266 HydrophobicContact CB-CD1 4.28Å; F225-L266 HydrophobicContact CB-CD2 4.14Å; F225-L266 HydrophobicContact CB-CG 4.37Å; F225-L266 HydrophobicContact CD1-CB 4.17Å; F225-L266 HydrophobicContact CG-CB 4.24Å; F225-L266 HydrophobicContact CG-CD1 4.33Å; N227-L266 HydrophobicContact CB-CD2 3.91Å; I252-L266 WeakPolarHBondContact CG2-O 3.48Å; A261-L266 CarbonylContact C-O 3.52Å; A261-L266 HydrophobicContact CB-CB 4.3Å; A261-L266 PolarHBondContact O-N 2.68Å; K264-L266 VanDerWaalsContact C-N 3.26Å; K264-L266 HydrophobicContact CB-CD1 3.97Å; K264-L266 HydrophobicContact CB-CG 3.96Å; K264-L266 HydrophobicContact CD-CD1 4.32Å; K264-L266 PolarHBondContact O-N 2.88Å
267	L	94.8	Very high	88.2	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	125.7	174.1	-165.9	70.5	0	0	0	109.4	Y216 M226 L231 I252 E256 F272	Y216-L267 PolarHBondContact OH-O 3.22Å; M226-L267 HydrophobicContact CB-CB 4.25Å; M226-L267 PolarHBondContact N-O 3.22Å; M226-L267 PolarHBondContact O-N 3.31Å; L231-L267 HydrophobicContact CD1-CD2 4.05Å; L231-L267 HydrophobicContact CD2-CD2 4.17Å; I252-L267 HydrophobicContact CD1-CB 4.2Å; I252-L267 HydrophobicContact CG1-CB 4.01Å; I252-L267 HydrophobicContact CG1-CD1 4.29Å; I252-L267 HydrophobicContact CG2-CB 4.43Å; I252-L267 HydrophobicContact CG2-CD1 4.43Å; E256-L267 HydrophobicContact CB-CD1 4.32Å; E256-L267 WeakPolarHBondContact OE2-CA 3.34Å; L267-F272 HydrophobicContact CD2-CB 3.94Å; L267-F272 HydrophobicContact CD2-CD2 4.19Å; L267-F272 HydrophobicContact CG-CB 4.41Å
268	S	93.1	Very high	88.5	Confident	15 Å²	15	49.9 Å²	49.9	11%	0.105	26%	0.264	C	S	.	.			trans	-81.3	170.1	170.2	66.8	0	0	0	0	111	Y216 E256 D270 G271 F272	Y216-S268 WeakPolarHBondContact OH-CA 3.21Å; E256-S268 VanDerWaalsContact CD-OG 3.26Å; E256-S268 WeakPolarHBondContact OE1-CB 3.22Å; E256-S268 PolarHBondContact OE1-OG 3.1Å; E256-S268 PolarHBondContact OE2-N 3.23Å; E256-S268 PolarHBondContact OE2-OG 3Å; S268-D270 PolarHBondContact O-N 3Å; S268-G271 PolarHBondContact O-N 3.16Å; S268-G271 PolarHBondContact OG-N 3.24Å; S268-F272 WeakPolarHBondContact O-CB 3.35Å; S268-F272 PolarHBondContact O-N 3.47Å
269	K	89.1	Confident	88.7	Confident	63 Å²	63	49.6 Å²	49.6	27%	0.274	27%	0.266	S	S	.	.	H	α-helix	trans	-60.2	-37.6	173.7	-177.6	175.3	63.2	170.8	0	112	I212 D213 Y216 F272 L273	I212-K269 HydrophobicContact CG2-CD 4.42Å; I212-K269 HydrophobicContact CG2-CG 4.29Å; D213-K269 WeakPolarHBondContact OD1-CD 3.43Å; D213-K269 WeakPolarHBondContact OD1-CE 3.44Å; D213-K269 IonicContact OD1-NZ 2.8Å; D213-K269 PolarHBondContact OD1-NZ 2.68Å; D213-K269 IonicContact OD2-NZ 2.68Å; Y216-K269 HydrophobicContact CD1-CB 4.37Å; Y216-K269 HydrophobicContact CD2-CB 4.33Å; Y216-K269 HydrophobicContact CE1-CB 4.27Å; Y216-K269 HydrophobicContact CE2-CB 4.25Å; Y216-K269 HydrophobicContact CG-CB 4.4Å; Y216-K269 HydrophobicContact CG-CG 4.47Å; Y216-K269 PolarHBondContact OH-N 2.89Å; K269-F272 WeakPolarHBondContact O-CB 2.96Å; K269-F272 PolarHBondContact O-N 3.22Å; K269-L273 HydrophobicContact CG-CD1 4.38Å; K269-L273 WeakPolarHBondContact O-CG 3.12Å; K269-L273 PolarHBondContact O-N 3.32Å
270	D	82.2	Confident	88.7	Confident	97 Å²	97	48.8 Å²	48.8	52%	0.519	26%	0.262	S	S	.	.	H	α-helix	trans	-67.4	-43.8	179.5	-61.8	-24.5	0	0	0	110.5	P257 S268 F272 L273 M274	P257-D270 HydrophobicContact CG-CB 4.06Å; S268-D270 PolarHBondContact O-N 3Å; D270-F272 VanDerWaalsContact C-N 3.29Å; D270-F272 PolarHBondContact O-N 3.25Å; D270-L273 PolarHBondContact O-N 2.83Å; D270-M274 WeakPolarHBondContact O-CG 3.39Å; D270-M274 PolarHBondContact O-N 3.08Å
271	G	85.6	Confident	88.7	Confident	0 Å²	0	42 Å²	42	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-60.4	-37.6	172	0	0	0	0	0	113	Y255 S268 M274 Y275	Y255-G271 WeakPolarHBondContact O-CA 3.28Å; S268-G271 PolarHBondContact O-N 3.16Å; S268-G271 PolarHBondContact OG-N 3.24Å; G271-M274 PolarHBondContact O-N 3.17Å; G271-Y275 PolarHBondContact O-N 3.05Å
272	F	92.9	Very high	89	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-66.3	-41.7	174.9	-178.8	-110	0	0	0	113	I212 I215 Y216 M226 F234 L267 S268 K269 D270 Y275 L276	I212-F272 HydrophobicContact CG2-CD1 4.19Å; I212-F272 HydrophobicContact CG2-CE1 4.34Å; I215-F272 HydrophobicContact CG2-CE1 4.21Å; I215-F272 HydrophobicContact CG2-CZ 4Å; Y216-F272 HydrophobicContact CD2-CB 3.84Å; Y216-F272 AromaticContact CD2-CD1 3.93Å; Y216-F272 HydrophobicContact CD2-CD1 3.93Å; Y216-F272 AromaticContact CD2-CG 3.91Å; Y216-F272 HydrophobicContact CD2-CG 3.91Å; Y216-F272 HydrophobicContact CE2-CB 4.11Å; M226-F272 HydrophobicContact CE-CD2 4.2Å; M226-F272 HydrophobicContact CE-CE2 4.14Å; M226-F272 HydrophobicContact CE-CZ 4.42Å; M226-F272 HydrophobicContact SD-CD2 4.42Å; F234-F272 AromaticContact CD1-CE2 3.85Å; F234-F272 HydrophobicContact CD1-CE2 3.85Å; F234-F272 HydrophobicContact CD1-CZ 4.43Å; F234-F272 HydrophobicContact CD2-CE2 4.48Å; F234-F272 HydrophobicContact CD2-CZ 4.39Å; F234-F272 AromaticContact CE1-CE2 3.52Å; F234-F272 HydrophobicContact CE1-CE2 3.52Å; F234-F272 AromaticContact CE1-CZ 3.87Å; F234-F272 HydrophobicContact CE1-CZ 3.87Å; F234-F272 HydrophobicContact CE2-CE2 4.2Å; F234-F272 AromaticContact CE2-CZ 3.82Å; F234-F272 HydrophobicContact CE2-CZ 3.82Å; F234-F272 HydrophobicContact CG-CE2 4.32Å; F234-F272 AromaticContact CZ-CE2 3.71Å; F234-F272 HydrophobicContact CZ-CE2 3.71Å; F234-F272 AromaticContact CZ-CZ 3.52Å; F234-F272 HydrophobicContact CZ-CZ 3.52Å; L267-F272 HydrophobicContact CD2-CB 3.94Å; L267-F272 HydrophobicContact CD2-CD2 4.19Å; L267-F272 HydrophobicContact CG-CB 4.41Å; S268-F272 WeakPolarHBondContact O-CB 3.35Å; S268-F272 PolarHBondContact O-N 3.47Å; K269-F272 WeakPolarHBondContact O-CB 2.96Å; K269-F272 PolarHBondContact O-N 3.22Å; D270-F272 VanDerWaalsContact C-N 3.29Å; D270-F272 PolarHBondContact O-N 3.25Å; F272-Y275 HydrophobicContact CD2-CD1 4.46Å; F272-Y275 WeakPolarHBondContact O-CB 3.46Å; F272-Y275 PolarHBondContact O-N 2.93Å; F272-L276 HydrophobicContact CD1-CD1 4.03Å; F272-L276 HydrophobicContact CE1-CD1 3.53Å; F272-L276 HydrophobicContact CE1-CG 4.25Å; F272-L276 HydrophobicContact CZ-CD1 3.87Å; F272-L276 HydrophobicContact CZ-CD2 4.37Å; F272-L276 HydrophobicContact CZ-CG 4.22Å; F272-L276 WeakPolarHBondContact O-CG 3.46Å; F272-L276 PolarHBondContact O-N 3.04Å
273	L	85.1	Confident	89.4	Confident	35 Å²	35	40.9 Å²	40.9	18%	0.183	23%	0.226	C	C	.	.	H	α-helix	trans	-62.1	-45.1	173.6	-79.5	170.1	0	0	0	111.7	I212 K269 D270 Y275 L276 H277	I212-L273 HydrophobicContact CB-CD2 4.28Å; I212-L273 HydrophobicContact CD1-CD2 4.18Å; I212-L273 HydrophobicContact CG1-CD2 3.84Å; I212-L273 HydrophobicContact CG2-CD2 3.74Å; I212-L273 HydrophobicContact CG2-CG 4.07Å; K269-L273 HydrophobicContact CG-CD1 4.38Å; K269-L273 WeakPolarHBondContact O-CG 3.12Å; K269-L273 PolarHBondContact O-N 3.32Å; D270-L273 PolarHBondContact O-N 2.83Å; L273-Y275 VanDerWaalsContact C-N 3.28Å; L273-Y275 PolarHBondContact O-N 2.76Å; L273-L276 PolarHBondContact O-N 3.11Å; L273-L276 VanDerWaalsContact O-N 3.13Å; L273-H277 PolarHBondContact O-CD2 3.4Å; L273-H277 PolarHBondContact O-N 3.11Å; L273-H277 VanDerWaalsContact O-N 3.12Å
274	M	83.6	Confident	89.8	Confident	74 Å²	74	38.2 Å²	38.2	37%	0.365	20%	0.195	S	C	.	.	H	α-helix	trans	-58.9	-40.9	175.7	-72.3	-178.5	69.1	0	0	111.6	Y255 P257 D270 G271 H277 D278	Y255-M274 HydrophobicContact CD1-CB 4.24Å; P257-M274 HydrophobicContact CB-SD 4.48Å; D270-M274 WeakPolarHBondContact O-CG 3.39Å; D270-M274 PolarHBondContact O-N 3.08Å; G271-M274 PolarHBondContact O-N 3.17Å; M274-H277 PolarHBondContact O-N 2.9Å; M274-D278 PolarHBondContact O-N 3.4Å
275	Y	90.9	Very high	89.9	Confident	12 Å²	12	32.9 Å²	32.9	5%	0.047	17%	0.173	C	C	.	.	H	α-helix	trans	-60.9	-47.9	172.9	162.7	-102.2	0	0	0	112	F234 L235 I251 Y255 G271 F272 L273 H277 D278 A281	F234-Y275 HydrophobicContact CE1-CE1 4.14Å; L235-Y275 HydrophobicContact CD2-CE1 4.09Å; L235-Y275 HydrophobicContact CD2-CE2 4.36Å; L235-Y275 WeakPolarHBondContact CD2-OH 3.38Å; I251-Y275 HydrophobicContact CD1-CE2 4.1Å; I251-Y275 HydrophobicContact CG2-CD2 3.59Å; I251-Y275 HydrophobicContact CG2-CE2 4.19Å; I251-Y275 HydrophobicContact CG2-CG 4.05Å; Y255-Y275 HydrophobicContact CD2-CD2 4.19Å; Y255-Y275 AromaticContact CE2-CD2 3.91Å; Y255-Y275 HydrophobicContact CE2-CD2 3.91Å; G271-Y275 PolarHBondContact O-N 3.05Å; F272-Y275 HydrophobicContact CD2-CD1 4.46Å; F272-Y275 WeakPolarHBondContact O-CB 3.46Å; F272-Y275 PolarHBondContact O-N 2.93Å; L273-Y275 VanDerWaalsContact C-N 3.28Å; L273-Y275 PolarHBondContact O-N 2.76Å; Y275-H277 PolarHBondContact O-N 3.44Å; Y275-H277 VanDerWaalsContact O-N 3.16Å; Y275-D278 VanDerWaalsContact O-CB 3.25Å; Y275-D278 WeakPolarHBondContact O-CB 3.46Å; Y275-D278 PolarHBondContact O-N 3.35Å; Y275-A281 HydrophobicContact CE1-CB 4.39Å; Y275-A281 HydrophobicContact CE2-CB 4.12Å; Y275-A281 WeakPolarHBondContact O-CB 3.47Å
276	L	90.3	Very high	89.8	Confident	2 Å²	2	32.7 Å²	32.7	1%	0.01	17%	0.168	C	C	.	.	H	α-helix	trans	-64.1	-20.3	-179.1	-71.8	177.7	0	0	0	113.8	I212 F234 F272 L273 H727 F744	I212-L276 HydrophobicContact CD1-CD1 3.76Å; F234-L276 HydrophobicContact CZ-CD2 4.38Å; F272-L276 HydrophobicContact CD1-CD1 4.03Å; F272-L276 HydrophobicContact CE1-CD1 3.53Å; F272-L276 HydrophobicContact CE1-CG 4.25Å; F272-L276 HydrophobicContact CZ-CD1 3.87Å; F272-L276 HydrophobicContact CZ-CD2 4.37Å; F272-L276 HydrophobicContact CZ-CG 4.22Å; F272-L276 WeakPolarHBondContact O-CG 3.46Å; F272-L276 PolarHBondContact O-N 3.04Å; L273-L276 PolarHBondContact O-N 3.11Å; L273-L276 VanDerWaalsContact O-N 3.13Å; L276-H727 PolarHBondContact O-ND1 3.17Å; L276-F744 HydrophobicContact CD1-CE2 4.28Å; L276-F744 HydrophobicContact CD1-CZ 4.32Å
277	H	83.1	Confident	89.7	Confident	30 Å²	30	36.7 Å²	36.7	14%	0.139	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-3.9	174.5	-78.9	-61.2	0	0	0	114	A135 D136 L273 M274 Y275 M282 H727	A135-H277 HydrophobicContact CB-CB 4.29Å; D136-H277 IonicContact OD1-CD2 2.78Å; D136-H277 PolarHBondContact OD1-CD2 3.16Å; D136-H277 IonicContact OD1-CG 3.14Å; D136-H277 IonicContact OD1-NE2 2.73Å; L273-H277 PolarHBondContact O-CD2 3.4Å; L273-H277 PolarHBondContact O-N 3.11Å; L273-H277 VanDerWaalsContact O-N 3.12Å; M274-H277 PolarHBondContact O-N 2.9Å; Y275-H277 PolarHBondContact O-N 3.44Å; Y275-H277 VanDerWaalsContact O-N 3.16Å; H277-M282 WeakPolarHBondContact O-CE 3.43Å; H277-H727 AromaticContact CE1-CD2 3.68Å; H277-H727 AromaticContact CE1-CE1 3.35Å; H277-H727 PolarHBondContact CE1-CE1 3.25Å; H277-H727 AromaticContact CE1-CG 3.96Å; H277-H727 AromaticContact CE1-ND1 3.77Å; H277-H727 AromaticContact CE1-NE2 3.29Å; H277-H727 PolarHBondContact CE1-NE2 3.37Å; H277-H727 VanDerWaalsContact CE1-NE2 3.29Å; H277-H727 AromaticContact ND1-CE1 3.74Å; H277-H727 AromaticContact ND1-CG 3.99Å; H277-H727 AromaticContact ND1-ND1 3.73Å; H277-H727 AromaticContact NE2-CE1 3.61Å; H277-H727 AromaticContact NE2-NE2 3.73Å
278	D	85.9	Confident	89.8	Confident	21 Å²	21	38 Å²	38	11%	0.112	20%	0.196	C	C	.	.	S	Bend	trans	-65.3	140.4	175.1	-169.7	-86.1	0	0	0	111.2	K254 Y255 M274 Y275 E280 A281 M282	K254-D278 IonicContact NZ-OD2 3.96Å; K254-D278 PolarHBondContact NZ-OD2 3.21Å; Y255-D278 HydrophobicContact CE1-CB 3.84Å; Y255-D278 WeakPolarHBondContact CE1-OD2 3.45Å; Y255-D278 VanDerWaalsContact CZ-OD2 3.31Å; Y255-D278 WeakPolarHBondContact OH-CB 3.25Å; Y255-D278 PolarHBondContact OH-OD1 3.35Å; Y255-D278 PolarHBondContact OH-OD2 3.05Å; M274-D278 PolarHBondContact O-N 3.4Å; Y275-D278 VanDerWaalsContact O-CB 3.25Å; Y275-D278 WeakPolarHBondContact O-CB 3.46Å; Y275-D278 PolarHBondContact O-N 3.35Å; D278-E280 PolarHBondContact O-N 2.87Å; D278-E280 VanDerWaalsContact O-N 3.14Å; D278-E280 VanDerWaalsContact OD1-CB 3.22Å; D278-E280 WeakPolarHBondContact OD1-CB 3.42Å; D278-E280 WeakPolarHBondContact OD1-CG 3.27Å; D278-E280 PolarHBondContact OD1-N 3.39Å; D278-A281 HydrophobicContact CB-CB 4.38Å; D278-A281 WeakPolarHBondContact O-CA 3.48Å; D278-A281 WeakPolarHBondContact O-CB 3.14Å; D278-A281 PolarHBondContact O-N 3.33Å; D278-M282 PolarHBondContact O-N 3.21Å
279	P	83.9	Confident	89.8	Confident	67 Å²	67	42.8 Å²	42.8	44%	0.435	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-51.2	-33.3	174.3	-29.5	37	0	0	0	114.9	A281 M282 L286	P279-A281 VanDerWaalsContact C-N 3.28Å; P279-M282 PolarHBondContact O-N 2.91Å; P279-L286 HydrophobicContact CB-CD1 4.04Å
280	E	86	Confident	90	Very high	112 Å²	112	46 Å²	46	52%	0.523	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-71	-23.5	176.7	-67.5	171.9	-154.4	0	0	112.7	D278 L286 K722	D278-E280 PolarHBondContact O-N 2.87Å; D278-E280 VanDerWaalsContact O-N 3.14Å; D278-E280 VanDerWaalsContact OD1-CB 3.22Å; D278-E280 WeakPolarHBondContact OD1-CB 3.42Å; D278-E280 WeakPolarHBondContact OD1-CG 3.27Å; D278-E280 PolarHBondContact OD1-N 3.39Å; E280-L286 HydrophobicContact CB-CD1 4.18Å; E280-L286 HydrophobicContact CG-CD1 3.6Å; E280-K722 PolarHBondContact O-NZ 3.46Å
281	A	89.5	Confident	90.7	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-92	-8.2	177.8	0	0	0	0	0	113.2	Y275 D278 P279 R726	Y275-A281 HydrophobicContact CE1-CB 4.39Å; Y275-A281 HydrophobicContact CE2-CB 4.12Å; Y275-A281 WeakPolarHBondContact O-CB 3.47Å; D278-A281 HydrophobicContact CB-CB 4.38Å; D278-A281 WeakPolarHBondContact O-CA 3.48Å; D278-A281 WeakPolarHBondContact O-CB 3.14Å; D278-A281 PolarHBondContact O-N 3.33Å; P279-A281 VanDerWaalsContact C-N 3.28Å; A281-R726 WeakPolarHBondContact O-CD 3.5Å; A281-R726 PolarHBondContact O-NH1 3.41Å; A281-R726 VanDerWaalsContact O-NH1 3.09Å
282	M	93.8	Very high	91.3	Very high	27 Å²	27	49.2 Å²	49.2	13%	0.133	24%	0.243	C	C	.	.	S	Bend	trans	-69.7	169	177.8	-66.9	-170.7	-180	0	0	113	H277 D278 P279 F284 P729	H277-M282 WeakPolarHBondContact O-CE 3.43Å; D278-M282 PolarHBondContact O-N 3.21Å; P279-M282 PolarHBondContact O-N 2.91Å; M282-F284 PolarHBondContact O-N 2.94Å; M282-P729 HydrophobicContact SD-CG 4.36Å
283	V	97	Very high	91.5	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.251	C	S	.	.	S	Bend	trans	-63.5	-25.3	-175.8	75.1	0	0	0	0	114.2	Y714 L716 L721 K722 R726 H727 V728 V747	V283-Y714 HydrophobicContact CG1-CD1 4.22Å; V283-Y714 HydrophobicContact CG1-CE1 3.84Å; V283-L716 HydrophobicContact CG1-CD1 4.28Å; V283-L721 HydrophobicContact CG2-CD2 3.74Å; V283-K722 PolarHBondContact O-N 3.24Å; V283-R726 HydrophobicContact CB-CB 3.87Å; V283-R726 HydrophobicContact CB-CG 4.47Å; V283-R726 HydrophobicContact CG2-CB 4.19Å; V283-H727 PolarHBondContact N-O 3.2Å; V283-V728 HydrophobicContact CB-CG2 4.09Å; V283-V728 HydrophobicContact CG1-CB 4.22Å; V283-V728 HydrophobicContact CG1-CG1 4.14Å; V283-V728 HydrophobicContact CG1-CG2 4Å; V283-V728 HydrophobicContact CG2-CG2 4.27Å; V283-V747 HydrophobicContact CG2-CG2 4.32Å
284	F	96.9	Very high	92.1	Very high	14 Å²	14	52.2 Å²	52.2	6%	0.061	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-87.9	129.2	-178.3	177.9	-103	0	0	0	111.2	M282 L286 H288 K289 L589 V590 L716	M282-F284 PolarHBondContact O-N 2.94Å; F284-L286 HydrophobicContact CD1-CD2 4.25Å; F284-L286 PolarHBondContact O-N 3.07Å; F284-L286 VanDerWaalsContact O-N 3.16Å; F284-H288 HydrophobicContact CZ-CB 4.13Å; F284-K289 HydrophobicContact CE1-CB 3.97Å; F284-L589 HydrophobicContact CD2-CD2 3.79Å; F284-L589 HydrophobicContact CD2-CG 4.45Å; F284-L589 HydrophobicContact CE2-CD2 3.8Å; F284-L589 HydrophobicContact CE2-CG 4Å; F284-L589 HydrophobicContact CG-CD2 4.41Å; F284-L589 HydrophobicContact CZ-CD2 4.44Å; F284-L589 HydrophobicContact CZ-CG 4.24Å; F284-V590 HydrophobicContact CE2-CG1 3.73Å; F284-V590 HydrophobicContact CZ-CG1 3.99Å; F284-L716 HydrophobicContact CB-CD1 4.17Å; F284-L716 HydrophobicContact CD2-CB 4.36Å; F284-L716 HydrophobicContact CD2-CD1 3.97Å
285	N	95.5	Very high	92.9	Very high	33 Å²	33	49 Å²	49	18%	0.176	24%	0.243	C	C	.	.			trans	-67.8	110.9	174.9	-173.1	4.6	0	0	0	111.3	D287 H288 S720 K722	N285-D287 PolarHBondContact O-N 3.42Å; N285-D287 PolarHBondContact OD1-N 3.27Å; N285-D287 VanDerWaalsContact OD1-N 3.12Å; N285-H288 WeakPolarHBondContact O-CB 3.49Å; N285-H288 PolarHBondContact O-N 3.28Å; N285-S720 WeakPolarHBondContact CB-O 3.27Å; N285-S720 PolarHBondContact N-O 3.31Å; N285-K722 HydrophobicContact CB-CG 4Å
286	L	92.1	Very high	93.2	Very high	46 Å²	46	55.5 Å²	55.5	24%	0.241	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-65.9	-20.5	-179.6	-71.3	-171.2	0	0	0	114.1	P279 E280 F284 H288 K289	P279-L286 HydrophobicContact CB-CD1 4.04Å; E280-L286 HydrophobicContact CB-CD1 4.18Å; E280-L286 HydrophobicContact CG-CD1 3.6Å; F284-L286 HydrophobicContact CD1-CD2 4.25Å; F284-L286 PolarHBondContact O-N 3.07Å; F284-L286 VanDerWaalsContact O-N 3.16Å; L286-H288 PolarHBondContact O-N 3.38Å; L286-K289 HydrophobicContact CD2-CB 4.41Å; L286-K289 HydrophobicContact CD2-CD 3.74Å; L286-K289 WeakPolarHBondContact O-CB 3.23Å; L286-K289 PolarHBondContact O-N 2.92Å
287	D	92.4	Very high	93.6	Very high	122 Å²	122	57.9 Å²	57.9	65%	0.652	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-60.8	-28.7	172.7	-64.8	-19.8	0	0	0	111.2	N285 K289	N285-D287 PolarHBondContact O-N 3.42Å; N285-D287 PolarHBondContact OD1-N 3.27Å; N285-D287 VanDerWaalsContact OD1-N 3.12Å; D287-K289 VanDerWaalsContact C-N 3.31Å
288	H	96.3	Very high	94.3	Very high	29 Å²	29	57.5 Å²	57.5	13%	0.134	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-87.4	0	177.1	-58.9	177.3	0	0	0	113	F284 N285 L286 Y292 V590 N591 N719 S720	F284-H288 HydrophobicContact CZ-CB 4.13Å; N285-H288 WeakPolarHBondContact O-CB 3.49Å; N285-H288 PolarHBondContact O-N 3.28Å; L286-H288 PolarHBondContact O-N 3.38Å; H288-Y292 HydrophobicContact CB-CD1 4.11Å; H288-Y292 HydrophobicContact CB-CE1 3.69Å; H288-Y292 AromaticContact CD2-CD2 3.87Å; H288-Y292 AromaticContact CD2-CE2 3.65Å; H288-Y292 AromaticContact CD2-CZ 3.79Å; H288-Y292 AromaticContact CG-CE1 3.93Å; H288-Y292 AromaticContact CG-CZ 3.72Å; H288-Y292 AromaticContact NE2-CE2 3.9Å; H288-V590 HydrophobicContact CB-CB 4.39Å; H288-V590 HydrophobicContact CB-CG1 4.09Å; H288-V590 CarbonylContact O-C 3.59Å; H288-V590 WeakPolarHBondContact O-CA 3.48Å; H288-N591 PolarHBondContact O-N 2.76Å; H288-N719 PolarHBondContact CE1-O 3.17Å; H288-N719 VanDerWaalsContact CE1-O 3.24Å; H288-S720 PolarHBondContact ND1-OG 2.99Å
289	K	93.1	Very high	94.9	Very high	114 Å²	114	56.6 Å²	56.6	50%	0.496	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-37.4	178.3	-170.7	171.8	173.3	-178.1	0	112	F284 L286 D287 G592	F284-K289 HydrophobicContact CE1-CB 3.97Å; L286-K289 HydrophobicContact CD2-CB 4.41Å; L286-K289 HydrophobicContact CD2-CD 3.74Å; L286-K289 WeakPolarHBondContact O-CB 3.23Å; L286-K289 PolarHBondContact O-N 2.92Å; D287-K289 VanDerWaalsContact C-N 3.31Å; K289-G592 WeakPolarHBondContact O-CA 3.41Å; K289-G592 PolarHBondContact O-N 3.43Å
290	Q	94.1	Very high	95.6	Very high	132 Å²	132	53.6 Å²	53.6	62%	0.617	26%	0.26	S	S	*	.	S	Bend	trans	-85.5	173.9	176	-60.9	-60.5	-20	0	0	110.4	Y292 N591 G592	Q290-Y292 PolarHBondContact O-N 3.01Å; Q290-N591 CarbonylContact O-C 3.5Å; Q290-N591 VanDerWaalsContact O-CA 3.31Å; Q290-N591 WeakPolarHBondContact O-CA 3.4Å; Q290-G592 VanDerWaalsContact C-N 3.32Å; Q290-G592 PolarHBondContact O-N 2.97Å; Q290-G592 VanDerWaalsContact O-N 3.16Å
291	V	97.1	Very high	96.2	Very high	67 Å²	67	49.3 Å²	49.3	41%	0.406	24%	0.24	S	C	.	.			trans	-66.6	116.2	169.5	179.4	0	0	0	0	107.9	M295 Y380 N591	V291-M295 HydrophobicContact CG1-CG 3.58Å; V291-M295 HydrophobicContact CG1-SD 4.4Å; V291-Y380 HydrophobicContact CG2-CE2 4.07Å; V291-N591 WeakPolarHBondContact CA-OD1 3.25Å
292	Y	96.9	Very high	96.7	Very high	96 Å²	96	49.3 Å²	49.3	38%	0.376	24%	0.24	S	C	.	.			trans	-131.4	-15.8	-176.5	78	-79.9	0	0	0	112.7	H288 Q290 V590 N591	H288-Y292 HydrophobicContact CB-CD1 4.11Å; H288-Y292 HydrophobicContact CB-CE1 3.69Å; H288-Y292 AromaticContact CD2-CD2 3.87Å; H288-Y292 AromaticContact CD2-CE2 3.65Å; H288-Y292 AromaticContact CD2-CZ 3.79Å; H288-Y292 AromaticContact CG-CE1 3.93Å; H288-Y292 AromaticContact CG-CZ 3.72Å; H288-Y292 AromaticContact NE2-CE2 3.9Å; Q290-Y292 PolarHBondContact O-N 3.01Å; Y292-V590 HydrophobicContact CE1-CB 4.14Å; Y292-N591 HydrophobicContact CD1-CB 4.29Å; Y292-N591 HydrophobicContact CE1-CB 4.06Å; Y292-N591 PolarHBondContact N-OD1 3.13Å; Y292-N591 VanDerWaalsContact N-OD1 3.08Å
293	Q	98.1	Very high	96.9	Very high	37 Å²	37	48.1 Å²	48.1	17%	0.173	23%	0.234	C	C	.	.	S	Bend	trans	-84.9	157.9	176.7	-60.3	-177.3	-24.1	0	0	110	M295 N591 L598	Q293-M295 WeakPolarHBondContact O-CG 3.4Å; Q293-M295 PolarHBondContact O-N 3.46Å; Q293-N591 HydrophobicContact CG-CB 4.45Å; Q293-N591 PolarHBondContact N-OD1 2.9Å; Q293-L598 HydrophobicContact CB-CB 4.2Å
294	D	98.4	Very high	97	Very high	61 Å²	61	48.2 Å²	48.2	33%	0.326	23%	0.234	S	C	.	.			trans	-67	116.3	173.3	-179.6	13.3	0	0	0	109.9	Q296 Q297 Y302 L598	D294-Q296 WeakPolarHBondContact OD1-CB 3.49Å; D294-Q296 PolarHBondContact OD1-N 3.18Å; D294-Q297 HydrophobicContact CB-CG 4.48Å; D294-Q297 WeakPolarHBondContact OD2-CG 3.48Å; D294-Q297 PolarHBondContact OD2-NE2 2.91Å; D294-Y302 WeakPolarHBondContact O-CE1 3.42Å; D294-Y302 PolarHBondContact O-OH 3.17Å; D294-L598 HydrophobicContact CB-CD2 4.25Å
295	M	98.6	Very high	97.1	Very high	8 Å²	8	47.7 Å²	47.7	4%	0.039	23%	0.233	C	C	.	.			trans	-97	4.5	-179.7	-60.3	-55.8	-64.8	0	0	113	V291 Q293 Y302 Y380 S425 P426 E427 N591 Y596	V291-M295 HydrophobicContact CG1-CG 3.58Å; V291-M295 HydrophobicContact CG1-SD 4.4Å; Q293-M295 WeakPolarHBondContact O-CG 3.4Å; Q293-M295 PolarHBondContact O-N 3.46Å; M295-Y302 WeakPolarHBondContact CA-OH 3.28Å; M295-Y302 HydrophobicContact CE-CE1 4.13Å; M295-Y302 PolarHBondContact O-OH 3.22Å; M295-Y302 HydrophobicContact SD-CE1 3.85Å; M295-Y380 HydrophobicContact CB-CE1 4.09Å; M295-Y380 HydrophobicContact CE-CD1 3.87Å; M295-Y380 HydrophobicContact CE-CD2 4.08Å; M295-Y380 HydrophobicContact CE-CE1 3.54Å; M295-Y380 HydrophobicContact CE-CE2 3.77Å; M295-Y380 HydrophobicContact CE-CG 4.14Å; M295-Y380 HydrophobicContact CG-CE1 4.19Å; M295-Y380 WeakPolarHBondContact CG-OH 3.42Å; M295-S425 WeakPolarHBondContact O-CB 3.44Å; M295-P426 HydrophobicContact CE-CB 3.82Å; M295-P426 HydrophobicContact CE-CG 4.22Å; M295-P426 WeakPolarHBondContact O-CD 3.36Å; M295-E427 HydrophobicContact CB-CB 4.32Å; M295-E427 VanDerWaalsContact O-CB 3.3Å; M295-E427 WeakPolarHBondContact O-CB 3.28Å; M295-E427 PolarHBondContact O-N 3.16Å; M295-N591 PolarHBondContact SD-ND2 3.45Å; M295-Y596 HydrophobicContact CE-CG 4.43Å
296	Q	98.4	Very high	97.3	Very high	148 Å²	148	46.1 Å²	46.1	69%	0.692	22%	0.224	S	C	*	.			trans	-96.5	-3.1	179.6	-61.3	177	97.5	0	0	113.5	D294 Y302 S425 E427	D294-Q296 WeakPolarHBondContact OD1-CB 3.49Å; D294-Q296 PolarHBondContact OD1-N 3.18Å; Q296-Y302 PolarHBondContact N-OH 3.21Å; Q296-S425 VanDerWaalsContact C-CB 3.43Å; Q296-S425 WeakPolarHBondContact O-CB 3.33Å; Q296-E427 HydrophobicContact CG-CB 4.43Å
297	Q	98.5	Very high	97.6	Very high	52 Å²	52	44 Å²	44	24%	0.243	21%	0.213	C	C	.	.	S	Bend	trans	-67.6	156.9	171.4	-58.7	-64.5	-49.6	0	0	111	D294 H301 Y302 S425 P426 L598	D294-Q297 HydrophobicContact CB-CG 4.48Å; D294-Q297 WeakPolarHBondContact OD2-CG 3.48Å; D294-Q297 PolarHBondContact OD2-NE2 2.91Å; Q297-H301 HydrophobicContact CB-CB 4.07Å; Q297-Y302 WeakPolarHBondContact CA-OH 3.43Å; Q297-Y302 HydrophobicContact CB-CE2 3.92Å; Q297-Y302 WeakPolarHBondContact CB-OH 3.47Å; Q297-Y302 PolarHBondContact N-OH 3.2Å; Q297-Y302 VanDerWaalsContact O-CE2 3.22Å; Q297-Y302 WeakPolarHBondContact O-CE2 3.47Å; Q297-Y302 PolarHBondContact O-OH 3.14Å; Q297-S425 VanDerWaalsContact O-CA 3.23Å; Q297-S425 WeakPolarHBondContact O-CA 3.48Å; Q297-S425 WeakPolarHBondContact O-CB 3.19Å; Q297-P426 VanDerWaalsContact O-CD 3.29Å; Q297-P426 WeakPolarHBondContact O-CD 3.4Å; Q297-L598 HydrophobicContact CB-CD1 3.86Å; Q297-L598 HydrophobicContact CG-CD1 3.78Å; Q297-L598 HydrophobicContact CG-CD2 4.45Å
298	P	98.4	Very high	97.9	Very high	22 Å²	22	38.9 Å²	38.9	14%	0.143	19%	0.185	C	C	.	.			trans	-57	147.3	176.3	-27.4	36.6	0	0	0	113.6	N300 H301 Y302 F423	P298-N300 WeakPolarHBondContact CB-OD1 3.36Å; P298-N300 PolarHBondContact O-N 3.33Å; P298-H301 VanDerWaalsContact O-CB 3.25Å; P298-H301 WeakPolarHBondContact O-CB 3.5Å; P298-H301 PolarHBondContact O-N 3.28Å; P298-Y302 WeakPolarHBondContact O-CD2 2.96Å; P298-Y302 VanDerWaalsContact O-CE2 3.28Å; P298-Y302 WeakPolarHBondContact O-CE2 3.49Å; P298-F423 HydrophobicContact CB-CB 4.14Å; P298-F423 WeakPolarHBondContact CB-O 3.26Å
299	L	98.4	Very high	97.9	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-49.9	-36.8	-175.7	-169.4	64.4	0	0	0	114.8	H301 Y302 I304 P381 F423 P424 P426 L434 L542 Y596	L299-H301 PolarHBondContact O-N 2.89Å; L299-Y302 PolarHBondContact O-N 2.94Å; L299-I304 HydrophobicContact CD1-CD1 4.4Å; L299-I304 HydrophobicContact CG-CD1 4.36Å; L299-P381 HydrophobicContact CD1-CG 4.45Å; L299-F423 HydrophobicContact CB-CB 3.74Å; L299-F423 HydrophobicContact CB-CD1 4.2Å; L299-F423 HydrophobicContact CB-CG 4.13Å; L299-F423 HydrophobicContact CD2-CD1 4.42Å; L299-P424 WeakPolarHBondContact CB-O 3.21Å; L299-P424 PolarHBondContact N-O 3.23Å; L299-P424 VanDerWaalsContact N-O 3.08Å; L299-P426 HydrophobicContact CD1-CG 4.13Å; L299-L434 HydrophobicContact CD2-CD1 3.77Å; L299-L542 HydrophobicContact CD2-CD1 4.42Å; L299-Y596 HydrophobicContact CD1-CD1 4.4Å; L299-Y596 HydrophobicContact CD1-CE1 3.52Å
300	N	98.4	Very high	98.2	Very high	5 Å²	5	32.6 Å²	32.6	3%	0.027	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-75.1	-2.3	-178.8	70.8	-51.6	0	0	0	114	P298 Y302 F423 V539 E540 L542 Q568 K599	P298-N300 WeakPolarHBondContact CB-OD1 3.36Å; P298-N300 PolarHBondContact O-N 3.33Å; N300-Y302 VanDerWaalsContact C-N 3.35Å; N300-F423 HydrophobicContact CB-CD2 3.71Å; N300-F423 HydrophobicContact CB-CE2 3.75Å; N300-F423 HydrophobicContact CB-CG 4.49Å; N300-F423 WeakPolarHBondContact OD1-CD2 3.32Å; N300-V539 PolarHBondContact ND2-O 3.28Å; N300-E540 VanDerWaalsContact ND2-C 3.29Å; N300-E540 WeakPolarHBondContact ND2-CA 3.42Å; N300-E540 PolarHBondContact ND2-N 2.91Å; N300-L542 HydrophobicContact CB-CD2 3.68Å; N300-L542 HydrophobicContact CB-CG 4.15Å; N300-Q568 WeakPolarHBondContact O-CG 3.3Å; N300-Q568 PolarHBondContact O-NE2 3.4Å; N300-K599 WeakPolarHBondContact O-CE 3.41Å; N300-K599 PolarHBondContact O-NZ 3.35Å
301	H	98.8	Very high	98.3	Very high	21 Å²	21	26.3 Å²	26.3	10%	0.097	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-89.3	3.9	175.1	-74	-160.9	0	0	0	113.5	Q297 P298 L299 V539 L598 K599 R604	Q297-H301 HydrophobicContact CB-CB 4.07Å; P298-H301 VanDerWaalsContact O-CB 3.25Å; P298-H301 WeakPolarHBondContact O-CB 3.5Å; P298-H301 PolarHBondContact O-N 3.28Å; L299-H301 PolarHBondContact O-N 2.89Å; H301-V539 PolarHBondContact NE2-O 3.45Å; H301-L598 HydrophobicContact CB-CD1 4.25Å; H301-K599 VanDerWaalsContact O-CB 3.24Å; H301-K599 WeakPolarHBondContact O-CB 3.31Å; H301-K599 VanDerWaalsContact O-CG 3.31Å; H301-K599 WeakPolarHBondContact O-CG 3.38Å; H301-K599 PolarHBondContact O-N 2.88Å; H301-R604 HydrophobicContact CB-CG 3.93Å
302	Y	98.9	Very high	98.1	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	148.1	179.9	-55.4	-101.6	0	0	0	111.4	D294 M295 Q296 Q297 P298 L299 N300 P426 Q568 Y596 V597 L598	D294-Y302 WeakPolarHBondContact O-CE1 3.42Å; D294-Y302 PolarHBondContact O-OH 3.17Å; M295-Y302 WeakPolarHBondContact CA-OH 3.28Å; M295-Y302 HydrophobicContact CE-CE1 4.13Å; M295-Y302 PolarHBondContact O-OH 3.22Å; M295-Y302 HydrophobicContact SD-CE1 3.85Å; Q296-Y302 PolarHBondContact N-OH 3.21Å; Q297-Y302 WeakPolarHBondContact CA-OH 3.43Å; Q297-Y302 HydrophobicContact CB-CE2 3.92Å; Q297-Y302 WeakPolarHBondContact CB-OH 3.47Å; Q297-Y302 PolarHBondContact N-OH 3.2Å; Q297-Y302 VanDerWaalsContact O-CE2 3.22Å; Q297-Y302 WeakPolarHBondContact O-CE2 3.47Å; Q297-Y302 PolarHBondContact O-OH 3.14Å; P298-Y302 WeakPolarHBondContact O-CD2 2.96Å; P298-Y302 VanDerWaalsContact O-CE2 3.28Å; P298-Y302 WeakPolarHBondContact O-CE2 3.49Å; L299-Y302 PolarHBondContact O-N 2.94Å; N300-Y302 VanDerWaalsContact C-N 3.35Å; Y302-P426 HydrophobicContact CD1-CG 4.46Å; Y302-P426 HydrophobicContact CD2-CG 3.76Å; Y302-P426 HydrophobicContact CE1-CG 4.22Å; Y302-P426 VanDerWaalsContact CE2-CD 3.4Å; Y302-P426 HydrophobicContact CE2-CG 3.49Å; Y302-P426 VanDerWaalsContact CE2-CG 3.49Å; Y302-P426 HydrophobicContact CG-CG 4.25Å; Y302-Q568 VanDerWaalsContact O-CB 3.25Å; Y302-Q568 WeakPolarHBondContact O-CB 3.4Å; Y302-Q568 WeakPolarHBondContact O-CG 3.22Å; Y302-Y596 HydrophobicContact CG-CD1 4.24Å; Y302-V597 CarbonylContact C-O 3.57Å; Y302-V597 VanDerWaalsContact CA-O 3.26Å; Y302-V597 WeakPolarHBondContact CA-O 3.47Å; Y302-L598 HydrophobicContact CD1-CB 3.99Å; Y302-L598 HydrophobicContact CD1-CD1 4.01Å; Y302-L598 HydrophobicContact CE1-CB 3.96Å; Y302-L598 HydrophobicContact CE1-CD1 3.64Å; Y302-L598 HydrophobicContact CE1-CG 4.38Å; Y302-L598 HydrophobicContact CE2-CD1 4.25Å; Y302-L598 HydrophobicContact CG-CD1 4.46Å
303	F	98.9	Very high	97.7	Very high	3 Å²	3	20.5 Å²	20.5	1%	0.013	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	138	155.1	-56.9	-55.2	0	0	0	109.1	W563 C567 F588 Y596 V597 K599 M603 L692	F303-W563 HydrophobicContact CD1-CB 4.32Å; F303-W563 AromaticContact CD1-CD1 3.68Å; F303-W563 HydrophobicContact CD1-CG 4.21Å; F303-W563 HydrophobicContact CE1-CB 3.84Å; F303-W563 HydrophobicContact CE1-CG 4.23Å; F303-W563 VanDerWaalsContact CE1-O 3.31Å; F303-W563 WeakPolarHBondContact CE1-O 3.44Å; F303-W563 HydrophobicContact CZ-CB 4.03Å; F303-W563 WeakPolarHBondContact CZ-O 2.85Å; F303-C567 WeakPolarHBondContact CD1-O 3.48Å; F303-F588 HydrophobicContact CB-CE1 4.29Å; F303-F588 HydrophobicContact CB-CZ 4.08Å; F303-F588 WeakPolarHBondContact O-CE1 3.39Å; F303-Y596 WeakPolarHBondContact O-CA 3.29Å; F303-V597 HydrophobicContact CB-CB 4.48Å; F303-V597 HydrophobicContact CD2-CG1 4.48Å; F303-V597 PolarHBondContact N-O 2.96Å; F303-V597 PolarHBondContact O-N 3.1Å; F303-K599 HydrophobicContact CD1-CD 4.24Å; F303-K599 HydrophobicContact CD1-CG 4Å; F303-K599 HydrophobicContact CD2-CG 4.17Å; F303-K599 HydrophobicContact CE1-CD 3.84Å; F303-K599 HydrophobicContact CE1-CG 3.76Å; F303-K599 HydrophobicContact CE2-CG 3.94Å; F303-K599 HydrophobicContact CG-CG 4.21Å; F303-K599 HydrophobicContact CZ-CD 4.17Å; F303-K599 HydrophobicContact CZ-CG 3.74Å; F303-M603 HydrophobicContact CZ-CE 4.2Å; F303-L692 HydrophobicContact CE2-CD2 4.37Å; F303-L692 HydrophobicContact CZ-CD2 4.26Å
304	I	98.9	Very high	97.1	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.005	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	122.3	-172.7	-51.5	178.2	0	0	0	109	L299 S306 R335 I383 Q568 I569 F588 G595 Y596	L299-I304 HydrophobicContact CD1-CD1 4.4Å; L299-I304 HydrophobicContact CG-CD1 4.36Å; I304-S306 PolarHBondContact O-N 3.01Å; I304-S306 PolarHBondContact O-OG 3.43Å; I304-R335 HydrophobicContact CG2-CB 3.79Å; I304-I383 HydrophobicContact CD1-CD1 4.23Å; I304-Q568 WeakPolarHBondContact CA-O 3.32Å; I304-Q568 HydrophobicContact CD1-CB 4.15Å; I304-Q568 HydrophobicContact CG1-CB 4.19Å; I304-Q568 PolarHBondContact N-O 3.23Å; I304-I569 HydrophobicContact CB-CG1 4.43Å; I304-I569 HydrophobicContact CD1-CG1 4.13Å; I304-F588 VanDerWaalsContact C-CZ 3.4Å; I304-G595 WeakPolarHBondContact CA-O 3.21Å; I304-Y596 HydrophobicContact CB-CE1 4.32Å; I304-Y596 HydrophobicContact CD1-CD1 4.5Å; I304-Y596 HydrophobicContact CD1-CE1 3.8Å; I304-Y596 HydrophobicContact CG1-CD1 3.91Å; I304-Y596 HydrophobicContact CG1-CE1 3.62Å; I304-Y596 HydrophobicContact CG2-CE1 3.92Å
305	N	98.9	Very high	96.5	Very high	4 Å²	4	22 Å²	22	2%	0.021	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	119.2	-179.2	-168.8	7.4	0	0	0	110.1	K332 G333 C334 R335 C336 F574 N584 F588 G595	N305-K332 PolarHBondContact ND2-O 3.36Å; N305-G333 PolarHBondContact ND2-O 2.99Å; N305-C334 PolarHBondContact O-SG 2.96Å; N305-C334 VanDerWaalsContact O-SG 3.35Å; N305-R335 PolarHBondContact O-N 3.12Å; N305-C336 PolarHBondContact O-N 3.3Å; N305-F574 WeakPolarHBondContact OD1-CZ 3.29Å; N305-N584 PolarHBondContact OD1-ND2 2.89Å; N305-F588 VanDerWaalsContact CA-CZ 3.46Å; N305-F588 HydrophobicContact CB-CB 4.47Å; N305-F588 HydrophobicContact CB-CD1 3.78Å; N305-F588 HydrophobicContact CB-CD2 3.65Å; N305-F588 HydrophobicContact CB-CE1 3.85Å; N305-F588 HydrophobicContact CB-CE2 3.74Å; N305-F588 HydrophobicContact CB-CG 3.7Å; N305-F588 HydrophobicContact CB-CZ 3.85Å; N305-G595 PolarHBondContact N-O 3.26Å
306	S	98.8	Very high	96	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	134.8	-161.5	-60.4	0	0	0	0	112.8	I304 C336 I569 A571 L572 F574	I304-S306 PolarHBondContact O-N 3.01Å; I304-S306 PolarHBondContact O-OG 3.43Å; S306-C336 WeakPolarHBondContact OG-CB 3.24Å; S306-I569 WeakPolarHBondContact OG-CG2 3.48Å; S306-A571 WeakPolarHBondContact O-CA 3.29Å; S306-L572 PolarHBondContact O-N 2.9Å; S306-L572 VanDerWaalsContact O-N 3.08Å; S306-F574 VanDerWaalsContact O-CE2 3.29Å; S306-F574 WeakPolarHBondContact O-CE2 3.04Å
307	S	98.7	Very high	95.2	Very high	2 Å²	2	19.4 Å²	19.4	1%	0.014	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	138.8	178.1	171.8	0	0	0	0	111	T310 C334 C336 L572	S307-T310 VanDerWaalsContact CB-OG1 3.32Å; S307-T310 WeakPolarHBondContact CB-OG1 3.08Å; S307-T310 WeakPolarHBondContact OG-CB 3.49Å; S307-T310 PolarHBondContact OG-OG1 3.4Å; S307-C334 PolarHBondContact N-SG 3.38Å; S307-C334 VanDerWaalsContact N-SG 3.43Å; S307-C336 PolarHBondContact N-O 2.99Å; S307-L572 WeakPolarHBondContact CA-O 3.16Å
308	H	98.3	Very high	94.4	Very high	14 Å²	14	23 Å²	23	7%	0.065	11%	0.112	C	C	.	.	S	Bend	trans	-99.6	143.7	170.8	173.3	-106.2	0	0	0	110.4	T310 E338 P547 A571 L572 N573	H308-T310 PolarHBondContact O-N 3.46Å; H308-T310 VanDerWaalsContact O-N 3.11Å; H308-E338 WeakPolarHBondContact CA-OE2 3.29Å; H308-E338 IonicContact CD2-OE2 2.83Å; H308-E338 PolarHBondContact CD2-OE2 2.83Å; H308-E338 IonicContact CG-OE2 2.67Å; H308-E338 IonicContact NE2-OE2 3.43Å; H308-P547 HydrophobicContact CB-CG 4.19Å; H308-A571 HydrophobicContact CB-CB 3.96Å; H308-L572 PolarHBondContact N-O 2.92Å; H308-N573 PolarHBondContact ND1-OD1 3.16Å
309	N	97.8	Very high	93.6	Very high	6 Å²	6	23.1 Å²	23.1	3%	0.032	12%	0.117	C	C	.	.	S	Bend	trans	39.4	52.3	-178.9	-72.5	-4.6	0	0	0	112.5	Y311 L312 Q316 E338	N309-Y311 HydrophobicContact CB-CE1 4.12Å; N309-Y311 PolarHBondContact O-N 2.87Å; N309-L312 HydrophobicContact CB-CD1 3.78Å; N309-L312 HydrophobicContact CB-CG 4.23Å; N309-L312 PolarHBondContact O-N 3.01Å; N309-Q316 PolarHBondContact ND2-OE1 3.13Å; N309-E338 PolarHBondContact N-OE2 3.43Å; N309-E338 PolarHBondContact OD1-OE2 2.78Å
310	T	97.9	Very high	93	Very high	5 Å²	5	25.6 Å²	25.6	3%	0.031	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-27.3	-164	-55.2	0	0	0	0	113.2	S307 H308 L312 A325 Y326 A329 V337 E338	S307-T310 VanDerWaalsContact CB-OG1 3.32Å; S307-T310 WeakPolarHBondContact CB-OG1 3.08Å; S307-T310 WeakPolarHBondContact OG-CB 3.49Å; S307-T310 PolarHBondContact OG-OG1 3.4Å; H308-T310 PolarHBondContact O-N 3.46Å; H308-T310 VanDerWaalsContact O-N 3.11Å; T310-L312 VanDerWaalsContact C-N 3.29Å; T310-L312 PolarHBondContact O-N 2.98Å; T310-A325 WeakPolarHBondContact O-CB 3.49Å; T310-Y326 HydrophobicContact CG2-CD1 3.54Å; T310-Y326 HydrophobicContact CG2-CE1 3.95Å; T310-Y326 HydrophobicContact CG2-CG 4.03Å; T310-A329 HydrophobicContact CG2-CB 3.97Å; T310-V337 HydrophobicContact CG2-CB 4.09Å; T310-V337 HydrophobicContact CG2-CG1 3.95Å; T310-V337 WeakPolarHBondContact OG1-CA 3.5Å; T310-E338 PolarHBondContact OG1-N 2.94Å
311	Y	96.6	Very high	92.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-18.1	-179.6	54.3	-86.9	0	0	0	114.4	N309 S321 S322 D340 I351 H353	N309-Y311 HydrophobicContact CB-CE1 4.12Å; N309-Y311 PolarHBondContact O-N 2.87Å; Y311-S321 WeakPolarHBondContact CD2-OG 3.31Å; Y311-S321 CarbonylContact O-C 3.5Å; Y311-S321 WeakPolarHBondContact O-CA 3.14Å; Y311-S322 PolarHBondContact O-N 3.07Å; Y311-D340 HydrophobicContact CE1-CB 3.76Å; Y311-D340 PolarHBondContact OH-OD2 3.09Å; Y311-I351 HydrophobicContact CD1-CG2 3.46Å; Y311-I351 VanDerWaalsContact CD1-CG2 3.46Å; Y311-I351 HydrophobicContact CD2-CG2 4.14Å; Y311-I351 HydrophobicContact CE1-CG2 3.97Å; Y311-I351 HydrophobicContact CG-CG2 3.58Å; Y311-H353 HydrophobicContact CE2-CB 4.28Å; Y311-H353 WeakPolarHBondContact OH-CA 3.29Å; Y311-H353 PolarHBondContact OH-N 2.96Å
312	L	93.8	Very high	92.4	Very high	4 Å²	4	25.4 Å²	25.4	2%	0.021	14%	0.135	C	C	.	.	B	Isolated β-bridge	trans	-80.1	134.9	-176.1	-66	178	0	0	0	112.7	N309 T310 T358	N309-L312 HydrophobicContact CB-CD1 3.78Å; N309-L312 HydrophobicContact CB-CG 4.23Å; N309-L312 PolarHBondContact O-N 3.01Å; T310-L312 VanDerWaalsContact C-N 3.29Å; T310-L312 PolarHBondContact O-N 2.98Å; L312-T358 HydrophobicContact CD2-CG2 3.75Å
313	M	87.4	Confident	92.1	Very high	36 Å²	36	26.3 Å²	26.3	18%	0.177	14%	0.141	C	C	.	.	S	Bend	trans	-100	-15.5	177.7	-63.8	-69.3	-68.4	0	0	113.9	P320 A325	M313-P320 HydrophobicContact CB-CG 4.04Å; M313-P320 WeakPolarHBondContact CB-O 3.41Å; M313-P320 HydrophobicContact CG-CG 4.48Å; M313-P320 WeakPolarHBondContact CG-O 3.48Å; M313-P320 PolarHBondContact N-O 3.15Å; M313-P320 VanDerWaalsContact N-O 3.16Å; M313-A325 HydrophobicContact CG-CB 4.44Å; M313-A325 HydrophobicContact SD-CB 3.56Å; M313-A325 VanDerWaalsContact SD-CB 3.56Å
314	E	86.8	Confident	91.6	Very high	96 Å²	96	27 Å²	27	45%	0.449	14%	0.144	S	C	.	.	S	Bend	trans	-138.5	-126.5	-174	-63.7	-178.5	-179.4	0	0	110.9	S554 Q575	E314-S554 PolarHBondContact O-OG 2.73Å; E314-Q575 VanDerWaalsContact O-CG 3.29Å; E314-Q575 WeakPolarHBondContact O-CG 3.42Å; E314-Q575 PolarHBondContact O-NE2 3.26Å
315	D	86	Confident	91.3	Very high	35 Å²	35	27.5 Å²	27.5	19%	0.187	15%	0.148	C	C	.	.			trans	-84.9	171.8	-177.9	75.9	60.8	0	0	0	112.5	L317 K318 T552 S554	D315-L317 PolarHBondContact OD1-N 3.34Å; D315-K318 VanDerWaalsContact CG-O 3.26Å; D315-K318 VanDerWaalsContact OD1-CG 3.3Å; D315-K318 WeakPolarHBondContact OD1-CG 3.29Å; D315-K318 PolarHBondContact OD1-N 2.82Å; D315-K318 WeakPolarHBondContact OD2-CE 3.34Å; D315-K318 WeakPolarHBondContact OD2-CG 3.49Å; D315-T552 WeakPolarHBondContact CB-O 3.32Å; D315-S554 WeakPolarHBondContact CA-OG 3.36Å
316	Q	87.8	Confident	91.2	Very high	13 Å²	13	27.3 Å²	27.3	6%	0.061	15%	0.147	C	C	.	.	S	Bend	trans	-78.8	-20.5	-176.1	-60.2	-66.1	-50.6	0	0	112.9	N309 H353 R551 T552 S554 N573	N309-Q316 PolarHBondContact ND2-OE1 3.13Å; Q316-H353 PolarHBondContact O-ND1 3.5Å; Q316-R551 WeakPolarHBondContact CG-O 3.36Å; Q316-T552 PolarHBondContact N-O 3.46Å; Q316-S554 PolarHBondContact NE2-OG 2.76Å; Q316-N573 PolarHBondContact NE2-OD1 3.25Å
317	L	81.6	Confident	91	Very high	87 Å²	87	27.5 Å²	27.5	46%	0.455	15%	0.148	S	C	.	.	S	Bend	trans	-101.7	-29.2	-170.3	-62.3	-179.8	0	0	0	113.1	D315 T356 L357 T552	D315-L317 PolarHBondContact OD1-N 3.34Å; L317-T356 HydrophobicContact CD2-CG2 4.27Å; L317-L357 WeakPolarHBondContact O-CA 3.41Å; L317-L357 WeakPolarHBondContact O-CB 3.35Å; L317-L357 PolarHBondContact O-N 2.83Å; L317-T552 HydrophobicContact CD1-CG2 3.88Å; L317-T552 HydrophobicContact CD2-CG2 4.28Å; L317-T552 HydrophobicContact CG-CG2 4.1Å
318	K	80.5	Confident	90.7	Very high	128 Å²	128	30.5 Å²	30.5	56%	0.557	16%	0.159	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-148.3	155.7	-177.7	60.9	179.8	179.8	-172.9	0	109.7	D315 L357	D315-K318 VanDerWaalsContact CG-O 3.26Å; D315-K318 VanDerWaalsContact OD1-CG 3.3Å; D315-K318 WeakPolarHBondContact OD1-CG 3.29Å; D315-K318 PolarHBondContact OD1-N 2.82Å; D315-K318 WeakPolarHBondContact OD2-CE 3.34Å; D315-K318 WeakPolarHBondContact OD2-CG 3.49Å; K318-L357 HydrophobicContact CB-CB 4.37Å
319	G	81.9	Confident	90.6	Very high	24 Å²	24	30 Å²	30	25%	0.247	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	120.7	176.5	176.2	0	0	0	0	0	112.5	T358 S359	G319-T358 WeakPolarHBondContact O-CA 3.5Å; G319-S359 PolarHBondContact O-N 3.03Å; G319-S359 VanDerWaalsContact O-N 3.09Å
320	P	87.4	Confident	90.6	Very high	53 Å²	53	29.7 Å²	29.7	34%	0.344	16%	0.155	S	C	.	.			trans	-82.4	132.2	-172.3	27.6	-25.3	0	0	0	111.6	M313 S359	M313-P320 HydrophobicContact CB-CG 4.04Å; M313-P320 WeakPolarHBondContact CB-O 3.41Å; M313-P320 HydrophobicContact CG-CG 4.48Å; M313-P320 WeakPolarHBondContact CG-O 3.48Å; M313-P320 PolarHBondContact N-O 3.15Å; M313-P320 VanDerWaalsContact N-O 3.16Å; P320-S359 WeakPolarHBondContact CA-OG 3.4Å
321	S	91.6	Very high	90.5	Very high	5 Å²	5	33 Å²	33	4%	0.035	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-83.6	139	156.3	-53.9	0	0	0	0	109.2	Y311 S359 I361	Y311-S321 WeakPolarHBondContact CD2-OG 3.31Å; Y311-S321 CarbonylContact O-C 3.5Å; Y311-S321 WeakPolarHBondContact O-CA 3.14Å; S321-S359 WeakPolarHBondContact CB-O 3.34Å; S321-S359 PolarHBondContact N-OG 2.79Å; S321-S359 PolarHBondContact O-OG 3.23Å; S321-S359 PolarHBondContact OG-O 2.8Å; S321-I361 WeakPolarHBondContact O-CG2 3.49Å
322	S	91.8	Very high	90.3	Very high	18 Å²	18	37.3 Å²	37.3	13%	0.126	19%	0.191	C	C	.	.			trans	-149.5	145.7	-178.6	-173.6	0	0	0	0	113.1	E80 Y311 E324 A325	E80-S322 PolarHBondContact OE2-OG 2.95Å; Y311-S322 PolarHBondContact O-N 3.07Å; S322-E324 PolarHBondContact O-N 3.31Å; S322-E324 PolarHBondContact OG-N 3.31Å; S322-A325 WeakPolarHBondContact O-CB 3.29Å; S322-A325 PolarHBondContact O-N 3.06Å
323	T	92	Very high	90.4	Very high	18 Å²	18	37.2 Å²	37.2	11%	0.11	19%	0.191	C	C	.	.	H	α-helix	trans	-63.4	-24.9	170	56.8	0	0	0	0	112.9	E80 A325 Y326 V327 I361 D365 A366 A369	E80-T323 VanDerWaalsContact CD-OG1 3.24Å; E80-T323 VanDerWaalsContact OE1-CB 3.31Å; E80-T323 WeakPolarHBondContact OE1-CB 3.49Å; E80-T323 VanDerWaalsContact OE1-CG2 3.23Å; E80-T323 WeakPolarHBondContact OE1-CG2 3.4Å; E80-T323 PolarHBondContact OE1-N 3.17Å; E80-T323 VanDerWaalsContact OE1-N 3.09Å; E80-T323 PolarHBondContact OE1-OG1 3.41Å; T323-A325 PolarHBondContact O-N 3.29Å; T323-Y326 PolarHBondContact O-N 3.13Å; T323-V327 PolarHBondContact O-N 3.12Å; T323-I361 HydrophobicContact CG2-CD1 4.16Å; T323-D365 HydrophobicContact CG2-CB 4.18Å; T323-A366 HydrophobicContact CG2-CB 4.41Å; T323-A369 HydrophobicContact CG2-CB 4.44Å
324	E	88.7	Confident	91	Very high	19 Å²	19	35.5 Å²	35.5	9%	0.089	18%	0.182	C	C	.	.	H	α-helix	trans	-64.8	-24.5	177.8	-172.4	62.1	-153.4	0	0	112.3	R74 S322 V327 R328	R74-E324 IonicContact CZ-OE1 3.73Å; R74-E324 IonicContact CZ-OE2 3.64Å; R74-E324 IonicContact NH1-OE1 2.76Å; R74-E324 IonicContact NH1-OE2 2.8Å; R74-E324 PolarHBondContact NH1-OE2 3.33Å; R74-E324 IonicContact NH2-OE1 3.32Å; R74-E324 PolarHBondContact NH2-OE1 2.9Å; R74-E324 IonicContact NH2-OE2 2.77Å; R74-E324 PolarHBondContact NH2-OE2 3.36Å; S322-E324 PolarHBondContact O-N 3.31Å; S322-E324 PolarHBondContact OG-N 3.31Å; E324-V327 WeakPolarHBondContact O-CB 3.41Å; E324-V327 PolarHBondContact O-N 2.8Å; E324-R328 HydrophobicContact CG-CG 4.34Å; E324-R328 VanDerWaalsContact O-CG 3.29Å; E324-R328 WeakPolarHBondContact O-CG 3.27Å; E324-R328 PolarHBondContact O-N 3.22Å
325	A	92.9	Very high	91.5	Very high	10 Å²	10	30.9 Å²	30.9	8%	0.083	16%	0.161	C	C	.	.	H	α-helix	trans	-64.7	-41.3	177.6	0	0	0	0	0	111.4	T310 M313 S322 T323 R328 A329	T310-A325 WeakPolarHBondContact O-CB 3.49Å; M313-A325 HydrophobicContact CG-CB 4.44Å; M313-A325 HydrophobicContact SD-CB 3.56Å; M313-A325 VanDerWaalsContact SD-CB 3.56Å; S322-A325 WeakPolarHBondContact O-CB 3.29Å; S322-A325 PolarHBondContact O-N 3.06Å; T323-A325 PolarHBondContact O-N 3.29Å; A325-R328 PolarHBondContact O-N 3.05Å; A325-A329 PolarHBondContact O-N 3.02Å
326	Y	97.7	Very high	92.1	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-61.9	-45.3	170.2	-62.2	-85.3	0	0	0	111.9	T310 T323 R328 A329 L330 V337 E338 L339 I361 A366 I370	T310-Y326 HydrophobicContact CG2-CD1 3.54Å; T310-Y326 HydrophobicContact CG2-CE1 3.95Å; T310-Y326 HydrophobicContact CG2-CG 4.03Å; T323-Y326 PolarHBondContact O-N 3.13Å; Y326-R328 VanDerWaalsContact C-N 3.32Å; Y326-R328 PolarHBondContact O-N 3.03Å; Y326-A329 PolarHBondContact O-N 2.95Å; Y326-L330 WeakPolarHBondContact O-CB 3.33Å; Y326-L330 VanDerWaalsContact O-CG 3.24Å; Y326-L330 WeakPolarHBondContact O-CG 3.4Å; Y326-L330 PolarHBondContact O-N 3.4Å; Y326-V337 HydrophobicContact CD1-CB 4.05Å; Y326-V337 HydrophobicContact CD1-CG1 4.47Å; Y326-V337 HydrophobicContact CD1-CG2 4.15Å; Y326-V337 HydrophobicContact CE1-CB 4.31Å; Y326-V337 HydrophobicContact CE1-CG2 4.41Å; Y326-E338 WeakPolarHBondContact CE1-O 3.41Å; Y326-E338 PolarHBondContact OH-O 3.27Å; Y326-E338 VanDerWaalsContact OH-O 3.14Å; Y326-L339 HydrophobicContact CE1-CG 4.07Å; Y326-I361 HydrophobicContact CE2-CD1 3.95Å; Y326-A366 HydrophobicContact CD2-CB 4.4Å; Y326-A366 HydrophobicContact CE2-CB 3.9Å; Y326-I370 HydrophobicContact CD1-CD1 3.76Å; Y326-I370 HydrophobicContact CD1-CG1 3.94Å; Y326-I370 HydrophobicContact CE1-CD1 4.01Å; Y326-I370 HydrophobicContact CG-CD1 4.29Å; Y326-I370 HydrophobicContact CG-CG1 4.12Å
327	V	94.8	Very high	92.7	Very high	4 Å²	4	28.7 Å²	28.7	2%	0.024	15%	0.15	C	C	.	.	H	α-helix	trans	-57.4	-47.2	178.5	175.7	0	0	0	0	110.8	T323 E324 L330 L331 A369 Y373	T323-V327 PolarHBondContact O-N 3.12Å; E324-V327 WeakPolarHBondContact O-CB 3.41Å; E324-V327 PolarHBondContact O-N 2.8Å; V327-L330 PolarHBondContact O-N 3.04Å; V327-L331 HydrophobicContact CG1-CD1 3.8Å; V327-L331 HydrophobicContact CG1-CG 4.36Å; V327-L331 WeakPolarHBondContact O-CB 3.44Å; V327-L331 VanDerWaalsContact O-CG 3.3Å; V327-L331 WeakPolarHBondContact O-CG 3.28Å; V327-L331 PolarHBondContact O-N 3.21Å; V327-A369 HydrophobicContact CG2-CB 4.29Å; V327-Y373 HydrophobicContact CB-CD2 4.46Å; V327-Y373 HydrophobicContact CB-CG 4.35Å; V327-Y373 HydrophobicContact CG1-CD1 3.53Å; V327-Y373 HydrophobicContact CG1-CD2 4.15Å; V327-Y373 HydrophobicContact CG1-CE1 3.67Å; V327-Y373 HydrophobicContact CG1-CE2 4.29Å; V327-Y373 HydrophobicContact CG1-CG 3.8Å; V327-Y373 HydrophobicContact CG2-CD2 3.65Å; V327-Y373 HydrophobicContact CG2-CE2 3.94Å; V327-Y373 HydrophobicContact CG2-CG 3.99Å
328	R	92.1	Very high	93.5	Very high	66 Å²	66	24.7 Å²	24.7	25%	0.249	13%	0.129	C	C	.	.	H	α-helix	trans	-62.5	-45	178.6	-71.9	169.8	-178.2	-150.5	-6.3	112.2	G101 E324 A325 Y326 K332	G101-R328 PolarHBondContact O-NH1 3.42Å; G101-R328 PolarHBondContact O-NH2 3.49Å; G101-R328 VanDerWaalsContact O-NH2 3.13Å; E324-R328 HydrophobicContact CG-CG 4.34Å; E324-R328 VanDerWaalsContact O-CG 3.29Å; E324-R328 WeakPolarHBondContact O-CG 3.27Å; E324-R328 PolarHBondContact O-N 3.22Å; A325-R328 PolarHBondContact O-N 3.05Å; Y326-R328 VanDerWaalsContact C-N 3.32Å; Y326-R328 PolarHBondContact O-N 3.03Å; R328-K332 WeakPolarHBondContact O-CG 3.15Å; R328-K332 PolarHBondContact O-N 3.08Å; R328-K332 VanDerWaalsContact O-N 3.13Å
329	A	96.4	Very high	94.3	Very high	2 Å²	2	18.6 Å²	18.6	2%	0.017	10%	0.102	C	C	.	.	H	α-helix	trans	-61.4	-48.9	178	0	0	0	0	0	111.3	T310 A325 Y326 L331 K332 G333 C334 F574	T310-A329 HydrophobicContact CG2-CB 3.97Å; A325-A329 PolarHBondContact O-N 3.02Å; Y326-A329 PolarHBondContact O-N 2.95Å; A329-L331 PolarHBondContact O-N 2.74Å; A329-K332 CarbonylContact O-C 3.53Å; A329-K332 PolarHBondContact O-N 3.49Å; A329-K332 VanDerWaalsContact O-N 3.13Å; A329-G333 PolarHBondContact O-N 3.32Å; A329-C334 VanDerWaalsContact C-CB 3.46Å; A329-C334 HydrophobicContact CB-CB 3.91Å; A329-C334 WeakPolarHBondContact O-CB 3.16Å; A329-C334 PolarHBondContact O-N 3.34Å; A329-F574 HydrophobicContact CB-CD1 3.96Å; A329-F574 HydrophobicContact CB-CE1 4.29Å
330	L	98	Very high	95.1	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-64.5	-39.8	-178.6	-66.5	168.2	0	0	0	112.3	Y326 V327 K332 G333 C334 V337 I370 A374 V382	Y326-L330 WeakPolarHBondContact O-CB 3.33Å; Y326-L330 VanDerWaalsContact O-CG 3.24Å; Y326-L330 WeakPolarHBondContact O-CG 3.4Å; Y326-L330 PolarHBondContact O-N 3.4Å; V327-L330 PolarHBondContact O-N 3.04Å; L330-K332 PolarHBondContact O-N 3.21Å; L330-G333 WeakPolarHBondContact O-CA 3.49Å; L330-G333 PolarHBondContact O-N 3.25Å; L330-C334 WeakPolarHBondContact CD2-O 3.06Å; L330-V337 HydrophobicContact CD2-CG1 4.24Å; L330-I370 HydrophobicContact CD1-CB 4.49Å; L330-I370 HydrophobicContact CD1-CG1 4.38Å; L330-I370 HydrophobicContact CD1-CG2 4.47Å; L330-A374 HydrophobicContact CD1-CB 4.49Å; L330-V382 HydrophobicContact CD2-CG1 4.19Å; L330-V382 HydrophobicContact CD2-CG2 4.2Å
331	L	93.9	Very high	95.6	Very high	76 Å²	76	15 Å²	15	40%	0.398	8%	0.075	S	C	.	.	H	α-helix	trans	-69.9	-20.5	175.7	-70.8	177.9	0	0	0	113.4	V327 A329 Y373 K376	V327-L331 HydrophobicContact CG1-CD1 3.8Å; V327-L331 HydrophobicContact CG1-CG 4.36Å; V327-L331 WeakPolarHBondContact O-CB 3.44Å; V327-L331 VanDerWaalsContact O-CG 3.3Å; V327-L331 WeakPolarHBondContact O-CG 3.28Å; V327-L331 PolarHBondContact O-N 3.21Å; A329-L331 PolarHBondContact O-N 2.74Å; L331-Y373 HydrophobicContact CD1-CD1 4.18Å; L331-Y373 HydrophobicContact CD1-CE1 4.45Å; L331-Y373 HydrophobicContact CD2-CD1 4.22Å; L331-Y373 HydrophobicContact CG-CD1 4.24Å; L331-K376 HydrophobicContact CD2-CB 4.14Å
332	K	93.4	Very high	95.9	Very high	90 Å²	90	16.3 Å²	16.3	39%	0.391	8%	0.079	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	10.7	167.4	-72.6	-172.1	171.1	-163.3	0	113	N305 R328 A329 L330 F574 N734	N305-K332 PolarHBondContact ND2-O 3.36Å; R328-K332 WeakPolarHBondContact O-CG 3.15Å; R328-K332 PolarHBondContact O-N 3.08Å; R328-K332 VanDerWaalsContact O-N 3.13Å; A329-K332 CarbonylContact O-C 3.53Å; A329-K332 PolarHBondContact O-N 3.49Å; A329-K332 VanDerWaalsContact O-N 3.13Å; L330-K332 PolarHBondContact O-N 3.21Å; K332-F574 HydrophobicContact CB-CE1 4.43Å; K332-N734 PolarHBondContact NZ-O 3.16Å
333	G	96.4	Very high	96.1	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.01	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.7	15.3	178.6	0	0	0	0	0	114.2	N305 A329 L330 G595	N305-G333 PolarHBondContact ND2-O 2.99Å; A329-G333 PolarHBondContact O-N 3.32Å; L330-G333 WeakPolarHBondContact O-CA 3.49Å; L330-G333 PolarHBondContact O-N 3.25Å; G333-G595 WeakPolarHBondContact O-CA 3.44Å
334	C	98.6	Very high	96.2	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.095	C	C	.	.			trans	-63.9	136.9	172.9	-173.7	0	0	0	0	110.4	N305 S307 A329 L330 C336 F574	N305-C334 PolarHBondContact O-SG 2.96Å; N305-C334 VanDerWaalsContact O-SG 3.35Å; S307-C334 PolarHBondContact N-SG 3.38Å; S307-C334 VanDerWaalsContact N-SG 3.43Å; A329-C334 VanDerWaalsContact C-CB 3.46Å; A329-C334 HydrophobicContact CB-CB 3.91Å; A329-C334 WeakPolarHBondContact O-CB 3.16Å; A329-C334 PolarHBondContact O-N 3.34Å; L330-C334 WeakPolarHBondContact CD2-O 3.06Å; C334-C336 PolarHBondContact SG-O 2.88Å; C334-F574 HydrophobicContact CB-CE1 3.82Å; C334-F574 HydrophobicContact CB-CZ 3.97Å
335	R	98.8	Very high	96.4	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.12	C	C	.	.			trans	-122	-3.8	-175.2	-62.1	-66.2	87.3	176.2	1.9	113.6	I304 N305 A374 S378 Y380 V382 I383 G594 Y596	I304-R335 HydrophobicContact CG2-CB 3.79Å; N305-R335 PolarHBondContact O-N 3.12Å; R335-A374 PolarHBondContact NH1-O 3.02Å; R335-A374 PolarHBondContact NH2-O 3Å; R335-S378 PolarHBondContact NH1-O 3.44Å; R335-Y380 PolarHBondContact NH1-O 3.44Å; R335-Y380 VanDerWaalsContact NH1-O 3.14Å; R335-V382 CarbonylContact O-C 3.58Å; R335-V382 WeakPolarHBondContact O-CA 3.37Å; R335-I383 PolarHBondContact O-N 3.21Å; R335-G594 WeakPolarHBondContact CD-O 3.34Å; R335-G594 WeakPolarHBondContact CG-O 3.44Å; R335-Y596 HydrophobicContact CB-CD2 4.47Å; R335-Y596 HydrophobicContact CB-CE2 3.7Å; R335-Y596 HydrophobicContact CG-CD2 3.81Å; R335-Y596 HydrophobicContact CG-CE2 3.38Å
336	C	98.9	Very high	96.4	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.014	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	119.8	168.3	-177	0	0	0	0	109.8	N305 S306 S307 C334 I383 I569	N305-C336 PolarHBondContact O-N 3.3Å; S306-C336 WeakPolarHBondContact OG-CB 3.24Å; S307-C336 PolarHBondContact N-O 2.99Å; C334-C336 PolarHBondContact SG-O 2.88Å; C336-I383 WeakPolarHBondContact CA-O 3.37Å; C336-I383 HydrophobicContact CB-CB 4.18Å; C336-I569 HydrophobicContact CB-CG2 4.13Å
337	V	98.8	Very high	96.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	150	180	-63.7	0	0	0	0	110.8	T310 Y326 L330 L339 I370 V382 I383 L384 S385	T310-V337 HydrophobicContact CG2-CB 4.09Å; T310-V337 HydrophobicContact CG2-CG1 3.95Å; T310-V337 WeakPolarHBondContact OG1-CA 3.5Å; Y326-V337 HydrophobicContact CD1-CB 4.05Å; Y326-V337 HydrophobicContact CD1-CG1 4.47Å; Y326-V337 HydrophobicContact CD1-CG2 4.15Å; Y326-V337 HydrophobicContact CE1-CB 4.31Å; Y326-V337 HydrophobicContact CE1-CG2 4.41Å; L330-V337 HydrophobicContact CD2-CG1 4.24Å; V337-L339 HydrophobicContact CG2-CD1 4.42Å; V337-I370 HydrophobicContact CG2-CD1 4.19Å; V337-V382 HydrophobicContact CG2-CG1 4.45Å; V337-I383 PolarHBondContact N-O 2.93Å; V337-L384 HydrophobicContact CG2-CD2 3.62Å; V337-S385 PolarHBondContact O-N 2.83Å
338	E	98.8	Very high	96.2	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.009	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	140.6	-174.2	-177.7	157.3	-118	0	0	112.5	H308 N309 T310 Y326 S385 R544	H308-E338 WeakPolarHBondContact CA-OE2 3.29Å; H308-E338 IonicContact CD2-OE2 2.83Å; H308-E338 PolarHBondContact CD2-OE2 2.83Å; H308-E338 IonicContact CG-OE2 2.67Å; H308-E338 IonicContact NE2-OE2 3.43Å; N309-E338 PolarHBondContact N-OE2 3.43Å; N309-E338 PolarHBondContact OD1-OE2 2.78Å; T310-E338 PolarHBondContact OG1-N 2.94Å; Y326-E338 WeakPolarHBondContact CE1-O 3.41Å; Y326-E338 PolarHBondContact OH-O 3.27Å; Y326-E338 VanDerWaalsContact OH-O 3.14Å; E338-S385 WeakPolarHBondContact CA-O 3.24Å; E338-R544 IonicContact OE1-CZ 2.77Å; E338-R544 IonicContact OE1-NH1 2.72Å; E338-R544 PolarHBondContact OE1-NH1 2.75Å; E338-R544 IonicContact OE1-NH2 2.78Å; E338-R544 PolarHBondContact OE1-NH2 2.95Å; E338-R544 IonicContact OE2-CZ 3.42Å; E338-R544 IonicContact OE2-NH2 3.6Å; E338-R544 PolarHBondContact OE2-NH2 2.8Å
339	L	98.5	Very high	96.4	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	103.9	-178.5	-55.8	89.7	0	0	0	109.9	Y326 V337 C341 I351 F363 I367 I370 L384 S385 L386 E387	Y326-L339 HydrophobicContact CE1-CG 4.07Å; V337-L339 HydrophobicContact CG2-CD1 4.42Å; L339-C341 PolarHBondContact O-N 3.47Å; L339-C341 PolarHBondContact O-SG 2.83Å; L339-I351 HydrophobicContact CB-CD1 4.04Å; L339-I351 HydrophobicContact CD2-CD1 3.84Å; L339-I351 HydrophobicContact CG-CD1 4.24Å; L339-F363 HydrophobicContact CD2-CD2 4.33Å; L339-F363 HydrophobicContact CD2-CE2 3.91Å; L339-I367 HydrophobicContact CD2-CD1 3.71Å; L339-I370 HydrophobicContact CD2-CD1 4.08Å; L339-L384 HydrophobicContact CD1-CB 4.01Å; L339-L384 HydrophobicContact CD1-CD2 4.5Å; L339-S385 PolarHBondContact N-O 2.78Å; L339-L386 HydrophobicContact CB-CD2 3.99Å; L339-L386 HydrophobicContact CD1-CD2 4.07Å; L339-L386 HydrophobicContact CD2-CD2 4.48Å; L339-L386 HydrophobicContact CG-CD2 4.41Å; L339-E387 PolarHBondContact O-N 3.04Å
340	D	97.9	Very high	96.5	Very high	3 Å²	3	32.6 Å²	32.6	2%	0.016	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	96.6	175.3	-72.4	27.8	0	0	0	109.9	Y311 I351 Y352	Y311-D340 HydrophobicContact CE1-CB 3.76Å; Y311-D340 PolarHBondContact OH-OD2 3.09Å; D340-I351 VanDerWaalsContact O-CA 3.22Å; D340-I351 WeakPolarHBondContact O-CA 3.32Å; D340-Y352 WeakPolarHBondContact CB-O 3.27Å; D340-Y352 PolarHBondContact O-N 3.04Å
341	C	97.9	Very high	96.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	126.4	-169	-56.4	0	0	0	0	110.9	L339 F363 E387 H389 C390 M398	L339-C341 PolarHBondContact O-N 3.47Å; L339-C341 PolarHBondContact O-SG 2.83Å; C341-F363 VanDerWaalsContact SG-CE2 3.59Å; C341-E387 PolarHBondContact N-O 3.4Å; C341-H389 WeakPolarHBondContact O-CA 3.33Å; C341-H389 WeakPolarHBondContact O-CB 3.46Å; C341-H389 PolarHBondContact O-N 2.8Å; C341-C390 VanDerWaalsContact C-SG 3.55Å; C341-M398 HydrophobicContact CB-CE 3.56Å; C341-M398 HydrophobicContact CB-SD 3.8Å; C341-M398 WeakPolarHBondContact SG-CE 3.47Å
342	W	96.9	Very high	96.5	Very high	32 Å²	32	30.3 Å²	30.3	12%	0.121	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	157.5	-179.9	-68.3	84.3	0	0	0	111.2	G344 V350 Y352 G354 Y355 H389 C390	W342-G344 PolarHBondContact O-N 3.01Å; W342-V350 HydrophobicContact CB-CG2 4.19Å; W342-V350 PolarHBondContact N-O 3.17Å; W342-V350 WeakPolarHBondContact O-CG2 3.29Å; W342-V350 PolarHBondContact O-N 3.49Å; W342-Y352 HydrophobicContact CB-CD1 4.06Å; W342-Y352 HydrophobicContact CB-CE1 3.41Å; W342-Y352 VanDerWaalsContact CB-CE1 3.41Å; W342-Y352 AromaticContact CD1-CD1 3.77Å; W342-Y352 AromaticContact CD1-CE1 3.61Å; W342-Y352 HydrophobicContact CD2-CE1 4.04Å; W342-Y352 AromaticContact CG-CD1 3.98Å; W342-Y352 HydrophobicContact CG-CD1 3.98Å; W342-Y352 AromaticContact CG-CE1 3.37Å; W342-Y352 HydrophobicContact CG-CE1 3.37Å; W342-Y352 AromaticContact CG-CZ 3.99Å; W342-Y352 PolarHBondContact NE1-O 3.32Å; W342-G354 VanDerWaalsContact CZ2-CA 3.44Å; W342-Y355 HydrophobicContact CH2-CD2 4.13Å; W342-Y355 AromaticContact CH2-CE2 3.55Å; W342-Y355 HydrophobicContact CH2-CE2 3.55Å; W342-Y355 HydrophobicContact CZ3-CE2 4Å; W342-H389 HydrophobicContact CD2-CB 3.63Å; W342-H389 AromaticContact CD2-CG 3.99Å; W342-H389 AromaticContact CE2-CD2 3.35Å; W342-H389 AromaticContact CE2-CG 3.65Å; W342-H389 HydrophobicContact CE3-CB 3.55Å; W342-H389 HydrophobicContact CG-CB 4.25Å; W342-H389 HydrophobicContact CH2-CB 3.88Å; W342-H389 AromaticContact CH2-CD2 3.96Å; W342-H389 AromaticContact CH2-CG 3.59Å; W342-H389 AromaticContact CH2-ND1 3.73Å; W342-H389 HydrophobicContact CZ2-CB 3.96Å; W342-H389 AromaticContact CZ2-CD2 3.3Å; W342-H389 WeakPolarHBondContact CZ2-CD2 3.09Å; W342-H389 AromaticContact CZ2-CE1 3.9Å; W342-H389 AromaticContact CZ2-CG 3.43Å; W342-H389 VanDerWaalsContact CZ2-CG 3.43Å; W342-H389 AromaticContact CZ2-ND1 3.83Å; W342-H389 AromaticContact CZ2-NE2 3.58Å; W342-H389 HydrophobicContact CZ3-CB 3.69Å; W342-H389 AromaticContact CZ3-CG 3.96Å; W342-H389 AromaticContact NE1-CD2 3.59Å; W342-C390 PolarHBondContact N-SG 2.95Å
343	D	96.5	Very high	96.5	Very high	70 Å²	70	28.5 Å²	28.5	37%	0.374	16%	0.157	S	C	.	.			trans	-60.6	129.9	174.8	-72	-23.9	0	0	0	111.8	C390 S391 Q394	D343-C390 WeakPolarHBondContact OD1-CA 3.39Å; D343-C390 WeakPolarHBondContact OD1-CB 3.3Å; D343-S391 PolarHBondContact OD1-N 2.74Å; D343-S391 PolarHBondContact OD2-N 2.9Å; D343-Q394 VanDerWaalsContact CA-OE1 3.31Å; D343-Q394 WeakPolarHBondContact OD1-CB 3.41Å
344	G	94.8	Very high	96	Very high	19 Å²	19	28.9 Å²	28.9	20%	0.196	16%	0.161	C	C	.	.			trans	-110	177.5	172.3	0	0	0	0	0	113.2	W342 E348 Q394	W342-G344 PolarHBondContact O-N 3.01Å; G344-E348 WeakPolarHBondContact CA-O 3.2Å; G344-Q394 PolarHBondContact O-NE2 3.28Å
345	S	92.8	Very high	95.4	Very high	89 Å²	89	39.1 Å²	39.1	62%	0.622	20%	0.201	S	C	*	.	G	3₁₀ helix	trans	-72.4	162.8	173.5	61.8	0	0	0	0	111	N347 E348	S345-N347 PolarHBondContact O-N 3.36Å; S345-E348 PolarHBondContact O-N 3Å
346	D	91.9	Very high	94.9	Very high	150 Å²	150	40.5 Å²	40.5	80%	0.802	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	56.9	27.4	173.7	-48.7	-55.7	0	0	0	114	E348	D346-E348 PolarHBondContact O-N 2.65Å
347	N	91.6	Very high	94.2	Very high	82 Å²	82	47.6 Å²	47.6	44%	0.439	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	59.3	26.6	-177	-160.4	48.1	0	0	0	113.9	S345 Q394 V397	S345-N347 PolarHBondContact O-N 3.36Å; N347-Q394 WeakPolarHBondContact OD1-CG 3.47Å; N347-V397 WeakPolarHBondContact ND2-CG2 3.47Å
348	E	96.6	Very high	93.7	Very high	55 Å²	55	48.1 Å²	48.1	26%	0.257	25%	0.25	S	C	.	.			trans	-108.8	114.3	177.1	-78.1	-73.6	-179.1	0	0	110.5	G344 S345 D346 L362 H401	G344-E348 WeakPolarHBondContact CA-O 3.2Å; S345-E348 PolarHBondContact O-N 3Å; D346-E348 PolarHBondContact O-N 2.65Å; E348-L362 HydrophobicContact CB-CD2 4.18Å; E348-H401 IonicContact OE1-CE1 2.66Å; E348-H401 IonicContact OE1-NE2 3.25Å; E348-H401 IonicContact OE2-CD2 2.92Å; E348-H401 IonicContact OE2-CE1 2.66Å; E348-H401 IonicContact OE2-NE2 2.83Å; E348-H401 PolarHBondContact OE2-NE2 3.1Å
349	P	97.6	Very high	93.3	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.266	C	S	.	.			trans	-61.8	146.4	179.9	-17.7	26.3	0	0	0	112.5	F363 Q394 V397 M398	P349-F363 HydrophobicContact CB-CB 3.9Å; P349-F363 HydrophobicContact CB-CG 4.43Å; P349-F363 VanDerWaalsContact O-CB 3.29Å; P349-F363 WeakPolarHBondContact O-CB 3.34Å; P349-F363 PolarHBondContact O-N 3.18Å; P349-Q394 HydrophobicContact CG-CB 4.17Å; P349-Q394 WeakPolarHBondContact CG-O 3.49Å; P349-V397 HydrophobicContact CG-CB 4.18Å; P349-V397 HydrophobicContact CG-CG1 4.08Å; P349-M398 HydrophobicContact CB-CG 3.82Å; P349-M398 HydrophobicContact CB-SD 4.5Å; P349-M398 HydrophobicContact CG-CG 3.6Å
350	V	97.9	Very high	93.1	Very high	13 Å²	13	56.1 Å²	56.1	8%	0.079	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	158.1	-180	-68.3	0	0	0	0	111.7	W342 Y352 K360 I361 L362	W342-V350 HydrophobicContact CB-CG2 4.19Å; W342-V350 PolarHBondContact N-O 3.17Å; W342-V350 WeakPolarHBondContact O-CG2 3.29Å; W342-V350 PolarHBondContact O-N 3.49Å; V350-Y352 HydrophobicContact CG2-CD1 4.14Å; V350-Y352 HydrophobicContact CG2-CE1 4.21Å; V350-K360 HydrophobicContact CB-CB 4.37Å; V350-K360 HydrophobicContact CG2-CD 4.21Å; V350-I361 CarbonylContact C-O 3.19Å; V350-I361 VanDerWaalsContact CA-O 3.26Å; V350-I361 WeakPolarHBondContact CA-O 3.06Å; V350-I361 WeakPolarHBondContact CB-O 3.24Å; V350-L362 HydrophobicContact CG1-CD2 4.19Å
351	I	97.8	Very high	93	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	126.6	173.4	-58.1	168.5	0	0	0	109.8	Y311 L339 D340 I361 F363 A366	Y311-I351 HydrophobicContact CD1-CG2 3.46Å; Y311-I351 VanDerWaalsContact CD1-CG2 3.46Å; Y311-I351 HydrophobicContact CD2-CG2 4.14Å; Y311-I351 HydrophobicContact CE1-CG2 3.97Å; Y311-I351 HydrophobicContact CG-CG2 3.58Å; L339-I351 HydrophobicContact CB-CD1 4.04Å; L339-I351 HydrophobicContact CD2-CD1 3.84Å; L339-I351 HydrophobicContact CG-CD1 4.24Å; D340-I351 VanDerWaalsContact O-CA 3.22Å; D340-I351 WeakPolarHBondContact O-CA 3.32Å; I351-I361 HydrophobicContact CB-CD1 4.37Å; I351-I361 HydrophobicContact CB-CG1 3.87Å; I351-I361 PolarHBondContact N-O 3.41Å; I351-I361 PolarHBondContact O-N 3.49Å; I351-I361 VanDerWaalsContact O-N 3.08Å; I351-F363 HydrophobicContact CD1-CB 4.44Å; I351-F363 HydrophobicContact CD1-CD2 3.92Å; I351-F363 HydrophobicContact CG1-CB 4.33Å; I351-F363 HydrophobicContact CG1-CD2 4.11Å; I351-A366 HydrophobicContact CD1-CB 3.58Å
352	Y	95.1	Very high	93	Very high	28 Å²	28	60 Å²	60	11%	0.11	31%	0.312	C	S	.	.	S	Bend	trans	-169.8	169.6	171.8	74.5	-69.1	0	0	0	110.4	D340 W342 V350 G354 S359 K360	D340-Y352 WeakPolarHBondContact CB-O 3.27Å; D340-Y352 PolarHBondContact O-N 3.04Å; W342-Y352 HydrophobicContact CB-CD1 4.06Å; W342-Y352 HydrophobicContact CB-CE1 3.41Å; W342-Y352 VanDerWaalsContact CB-CE1 3.41Å; W342-Y352 AromaticContact CD1-CD1 3.77Å; W342-Y352 AromaticContact CD1-CE1 3.61Å; W342-Y352 HydrophobicContact CD2-CE1 4.04Å; W342-Y352 AromaticContact CG-CD1 3.98Å; W342-Y352 HydrophobicContact CG-CD1 3.98Å; W342-Y352 AromaticContact CG-CE1 3.37Å; W342-Y352 HydrophobicContact CG-CE1 3.37Å; W342-Y352 AromaticContact CG-CZ 3.99Å; W342-Y352 PolarHBondContact NE1-O 3.32Å; V350-Y352 HydrophobicContact CG2-CD1 4.14Å; V350-Y352 HydrophobicContact CG2-CE1 4.21Å; Y352-G354 PolarHBondContact O-N 3.1Å; Y352-S359 WeakPolarHBondContact CB-O 3.46Å; Y352-K360 HydrophobicContact CD1-CD 4.09Å; Y352-K360 HydrophobicContact CD1-CG 3.93Å; Y352-K360 HydrophobicContact CD2-CG 4.34Å; Y352-K360 HydrophobicContact CE1-CD 4.26Å; Y352-K360 HydrophobicContact CG-CD 4.38Å; Y352-K360 HydrophobicContact CG-CG 3.82Å
353	H	91.9	Very high	93	Very high	52 Å²	52	58.5 Å²	58.5	24%	0.241	31%	0.306	C	S	.	.			trans	-81	113	173.5	-173.6	-152.2	0	0	0	110	Y311 Q316 T356 T358	Y311-H353 HydrophobicContact CE2-CB 4.28Å; Y311-H353 WeakPolarHBondContact OH-CA 3.29Å; Y311-H353 PolarHBondContact OH-N 2.96Å; Q316-H353 PolarHBondContact O-ND1 3.5Å; H353-T356 HydrophobicContact CB-CG2 4.31Å; H353-T356 VanDerWaalsContact ND1-CG2 3.29Å; H353-T356 WeakPolarHBondContact ND1-CG2 3.46Å; H353-T356 PolarHBondContact O-N 2.86Å; H353-T356 PolarHBondContact O-OG1 3.33Å; H353-T358 HydrophobicContact CB-CG2 4.31Å; H353-T358 PolarHBondContact N-OG1 3.01Å; H353-T358 PolarHBondContact O-OG1 3.02Å
354	G	85.8	Confident	93.1	Very high	10 Å²	10	58.4 Å²	58.4	10%	0.103	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	143.6	-173.5	0	0	0	0	0	114.1	W342 Y352 T356	W342-G354 VanDerWaalsContact CZ2-CA 3.44Å; Y352-G354 PolarHBondContact O-N 3.1Å; G354-T356 WeakPolarHBondContact O-CG2 3.36Å; G354-T356 PolarHBondContact O-N 3.46Å
355	Y	87.1	Confident	93.2	Very high	214 Å²	214	60.5 Å²	60.5	84%	0.839	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	19.5	177.7	-50.2	-74	0	0	0	115.7	W342	W342-Y355 HydrophobicContact CH2-CD2 4.13Å; W342-Y355 AromaticContact CH2-CE2 3.55Å; W342-Y355 HydrophobicContact CH2-CE2 3.55Å; W342-Y355 HydrophobicContact CZ3-CE2 4Å
356	T	88.2	Confident	93.4	Very high	30 Å²	30	56.3 Å²	56.3	18%	0.184	28%	0.279	C	S	.	.	S	Bend	trans	-113.7	178.7	175.6	73.3	0	0	0	0	112.8	L317 H353 G354 T358	L317-T356 HydrophobicContact CD2-CG2 4.27Å; H353-T356 HydrophobicContact CB-CG2 4.31Å; H353-T356 VanDerWaalsContact ND1-CG2 3.29Å; H353-T356 WeakPolarHBondContact ND1-CG2 3.46Å; H353-T356 PolarHBondContact O-N 2.86Å; H353-T356 PolarHBondContact O-OG1 3.33Å; G354-T356 WeakPolarHBondContact O-CG2 3.36Å; G354-T356 PolarHBondContact O-N 3.46Å; T356-T358 VanDerWaalsContact C-N 3.3Å; T356-T358 WeakPolarHBondContact OG1-CG2 3.34Å; T356-T358 PolarHBondContact OG1-N 2.88Å; T356-T358 PolarHBondContact OG1-OG1 2.93Å
357	L	83.8	Confident	93.7	Very high	151 Å²	151	49.1 Å²	49.1	79%	0.791	24%	0.241	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-92.9	16.3	177.2	-60.6	176.7	0	0	0	112.7	L317 K318	L317-L357 WeakPolarHBondContact O-CA 3.41Å; L317-L357 WeakPolarHBondContact O-CB 3.35Å; L317-L357 PolarHBondContact O-N 2.83Å; K318-L357 HydrophobicContact CB-CB 4.37Å
358	T	88.9	Confident	94	Very high	10 Å²	10	49.6 Å²	49.6	6%	0.061	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	147	175.9	57	0	0	0	0	111	L312 G319 H353 T356	L312-T358 HydrophobicContact CD2-CG2 3.75Å; G319-T358 WeakPolarHBondContact O-CA 3.5Å; H353-T358 HydrophobicContact CB-CG2 4.31Å; H353-T358 PolarHBondContact N-OG1 3.01Å; H353-T358 PolarHBondContact O-OG1 3.02Å; T356-T358 VanDerWaalsContact C-N 3.3Å; T356-T358 WeakPolarHBondContact OG1-CG2 3.34Å; T356-T358 PolarHBondContact OG1-N 2.88Å; T356-T358 PolarHBondContact OG1-OG1 2.93Å
359	S	90.8	Very high	94	Very high	51 Å²	51	47.5 Å²	47.5	36%	0.357	23%	0.231	S	C	.	.			trans	-72.1	162.8	176.2	72.3	0	0	0	0	111.3	G319 P320 S321 Y352	G319-S359 PolarHBondContact O-N 3.03Å; G319-S359 VanDerWaalsContact O-N 3.09Å; P320-S359 WeakPolarHBondContact CA-OG 3.4Å; S321-S359 WeakPolarHBondContact CB-O 3.34Å; S321-S359 PolarHBondContact N-OG 2.79Å; S321-S359 PolarHBondContact O-OG 3.23Å; S321-S359 PolarHBondContact OG-O 2.8Å; Y352-S359 WeakPolarHBondContact CB-O 3.46Å
360	K	93.5	Very high	94.1	Very high	119 Å²	119	47.5 Å²	47.5	52%	0.517	23%	0.231	S	C	.	.			trans	-105.7	143.4	-179.8	-55.4	-176.7	175.5	-170	0	110.9	V350 Y352	V350-K360 HydrophobicContact CB-CB 4.37Å; V350-K360 HydrophobicContact CG2-CD 4.21Å; Y352-K360 HydrophobicContact CD1-CD 4.09Å; Y352-K360 HydrophobicContact CD1-CG 3.93Å; Y352-K360 HydrophobicContact CD2-CG 4.34Å; Y352-K360 HydrophobicContact CE1-CD 4.26Å; Y352-K360 HydrophobicContact CG-CD 4.38Å; Y352-K360 HydrophobicContact CG-CG 3.82Å
361	I	95.5	Very high	94.1	Very high	14 Å²	14	51.8 Å²	51.8	7%	0.072	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	155	166.9	59.7	174.9	0	0	0	109.6	S321 T323 Y326 V350 I351 A366	S321-I361 WeakPolarHBondContact O-CG2 3.49Å; T323-I361 HydrophobicContact CG2-CD1 4.16Å; Y326-I361 HydrophobicContact CE2-CD1 3.95Å; V350-I361 CarbonylContact C-O 3.19Å; V350-I361 VanDerWaalsContact CA-O 3.26Å; V350-I361 WeakPolarHBondContact CA-O 3.06Å; V350-I361 WeakPolarHBondContact CB-O 3.24Å; I351-I361 HydrophobicContact CB-CD1 4.37Å; I351-I361 HydrophobicContact CB-CG1 3.87Å; I351-I361 PolarHBondContact N-O 3.41Å; I351-I361 PolarHBondContact O-N 3.49Å; I351-I361 VanDerWaalsContact O-N 3.08Å; I361-A366 HydrophobicContact CD1-CB 4.29Å
362	L	97.3	Very high	94	Very high	72 Å²	72	56 Å²	56	38%	0.377	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	135.6	175.4	-67.4	172.9	0	0	0	110.2	E348 V350 K364 D365 A366	E348-L362 HydrophobicContact CB-CD2 4.18Å; V350-L362 HydrophobicContact CG1-CD2 4.19Å; L362-K364 VanDerWaalsContact C-N 3.27Å; L362-K364 PolarHBondContact O-N 3.18Å; L362-D365 HydrophobicContact CB-CB 4.29Å; L362-D365 PolarHBondContact O-N 2.75Å; L362-D365 VanDerWaalsContact O-N 3.14Å; L362-A366 PolarHBondContact O-N 3.25Å
363	F	98.4	Very high	94.1	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-55.5	-45.7	174.9	176.4	-94	0	0	0	111.2	L339 C341 P349 I351 D365 A366 I367 L386 M398 H401 M402	L339-F363 HydrophobicContact CD2-CD2 4.33Å; L339-F363 HydrophobicContact CD2-CE2 3.91Å; C341-F363 VanDerWaalsContact SG-CE2 3.59Å; P349-F363 HydrophobicContact CB-CB 3.9Å; P349-F363 HydrophobicContact CB-CG 4.43Å; P349-F363 VanDerWaalsContact O-CB 3.29Å; P349-F363 WeakPolarHBondContact O-CB 3.34Å; P349-F363 PolarHBondContact O-N 3.18Å; I351-F363 HydrophobicContact CD1-CB 4.44Å; I351-F363 HydrophobicContact CD1-CD2 3.92Å; I351-F363 HydrophobicContact CG1-CB 4.33Å; I351-F363 HydrophobicContact CG1-CD2 4.11Å; F363-D365 VanDerWaalsContact C-N 3.26Å; F363-D365 PolarHBondContact O-N 3Å; F363-A366 WeakPolarHBondContact O-CB 3.38Å; F363-A366 PolarHBondContact O-N 3.5Å; F363-A366 VanDerWaalsContact O-N 3.13Å; F363-I367 HydrophobicContact CD1-CG1 3.99Å; F363-I367 HydrophobicContact CE1-CD1 4.15Å; F363-I367 HydrophobicContact CE1-CG1 3.55Å; F363-I367 HydrophobicContact CE2-CD1 4.12Å; F363-I367 HydrophobicContact CE2-CG1 4.23Å; F363-I367 HydrophobicContact CZ-CD1 3.74Å; F363-I367 HydrophobicContact CZ-CG1 3.68Å; F363-I367 WeakPolarHBondContact O-CG1 3.44Å; F363-I367 PolarHBondContact O-N 3.14Å; F363-L386 HydrophobicContact CE2-CD2 4.32Å; F363-M398 HydrophobicContact CD1-CB 4.38Å; F363-M398 HydrophobicContact CD1-CG 4.19Å; F363-M398 HydrophobicContact CD2-CG 4.49Å; F363-M398 HydrophobicContact CE1-CB 3.89Å; F363-M398 HydrophobicContact CE1-CG 4.13Å; F363-M398 HydrophobicContact CE2-CE 3.96Å; F363-M398 HydrophobicContact CE2-CG 4.45Å; F363-M398 HydrophobicContact CG-CG 4.37Å; F363-M398 HydrophobicContact CZ-CB 4.06Å; F363-M398 HydrophobicContact CZ-CE 4.2Å; F363-M398 HydrophobicContact CZ-CG 4.27Å; F363-H401 HydrophobicContact CD1-CB 4.24Å; F363-H401 HydrophobicContact CE1-CB 4.16Å; F363-M402 HydrophobicContact CE1-CG 3.92Å; F363-M402 HydrophobicContact CZ-CE 4.24Å; F363-M402 HydrophobicContact CZ-CG 3.77Å; F363-M402 HydrophobicContact CZ-SD 3.95Å
364	K	97.9	Very high	94.4	Very high	67 Å²	67	52.9 Å²	52.9	29%	0.291	25%	0.254	S	S	.	.	H	α-helix	trans	-52.8	-41.3	177	-170.7	-174.9	-163.8	166.8	0	113.2	L362 K368 I405	L362-K364 VanDerWaalsContact C-N 3.27Å; L362-K364 PolarHBondContact O-N 3.18Å; K364-K368 WeakPolarHBondContact O-CG 3.18Å; K364-K368 PolarHBondContact O-N 3.32Å; K364-K368 VanDerWaalsContact O-N 3.09Å; K364-I405 HydrophobicContact CG-CD1 3.83Å
365	D	96.1	Very high	95	Very high	64 Å²	64	54.8 Å²	54.8	34%	0.342	26%	0.26	S	S	.	.	H	α-helix	trans	-76.8	-33.5	-177.7	-70.7	-21.3	0	0	0	111.8	T323 L362 F363 K368 A369	T323-D365 HydrophobicContact CG2-CB 4.18Å; L362-D365 HydrophobicContact CB-CB 4.29Å; L362-D365 PolarHBondContact O-N 2.75Å; L362-D365 VanDerWaalsContact O-N 3.14Å; F363-D365 VanDerWaalsContact C-N 3.26Å; F363-D365 PolarHBondContact O-N 3Å; D365-K368 PolarHBondContact O-N 2.91Å; D365-K368 IonicContact OD1-NZ 3.79Å; D365-K368 PolarHBondContact OD1-NZ 3.12Å; D365-A369 PolarHBondContact O-N 2.76Å
366	A	98.1	Very high	95.4	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-61.9	-47.1	170.1	0	0	0	0	0	111.6	T323 Y326 I351 I361 L362 F363 K368 A369 I370	T323-A366 HydrophobicContact CG2-CB 4.41Å; Y326-A366 HydrophobicContact CD2-CB 4.4Å; Y326-A366 HydrophobicContact CE2-CB 3.9Å; I351-A366 HydrophobicContact CD1-CB 3.58Å; I361-A366 HydrophobicContact CD1-CB 4.29Å; L362-A366 PolarHBondContact O-N 3.25Å; F363-A366 WeakPolarHBondContact O-CB 3.38Å; F363-A366 PolarHBondContact O-N 3.5Å; F363-A366 VanDerWaalsContact O-N 3.13Å; A366-K368 VanDerWaalsContact C-N 3.33Å; A366-K368 PolarHBondContact O-N 3.34Å; A366-A369 PolarHBondContact O-N 3.43Å; A366-I370 WeakPolarHBondContact O-CB 3.26Å; A366-I370 VanDerWaalsContact O-CG1 3.28Å; A366-I370 WeakPolarHBondContact O-CG1 3.34Å; A366-I370 PolarHBondContact O-N 2.9Å
367	I	98.7	Very high	95.7	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-62.3	-38.8	177.4	-60.1	-58.8	0	0	0	111.7	L339 F363 I370 K371 L384 M402 I405 L406	L339-I367 HydrophobicContact CD2-CD1 3.71Å; F363-I367 HydrophobicContact CD1-CG1 3.99Å; F363-I367 HydrophobicContact CE1-CD1 4.15Å; F363-I367 HydrophobicContact CE1-CG1 3.55Å; F363-I367 HydrophobicContact CE2-CD1 4.12Å; F363-I367 HydrophobicContact CE2-CG1 4.23Å; F363-I367 HydrophobicContact CZ-CD1 3.74Å; F363-I367 HydrophobicContact CZ-CG1 3.68Å; F363-I367 WeakPolarHBondContact O-CG1 3.44Å; F363-I367 PolarHBondContact O-N 3.14Å; I367-I370 HydrophobicContact CD1-CD1 4.42Å; I367-I370 PolarHBondContact O-N 3.12Å; I367-K371 WeakPolarHBondContact O-CB 3.39Å; I367-K371 PolarHBondContact O-N 3.08Å; I367-L384 HydrophobicContact CD1-CD1 4.21Å; I367-M402 HydrophobicContact CD1-CG 4.08Å; I367-M402 HydrophobicContact CG1-CG 4.25Å; I367-I405 HydrophobicContact CB-CD1 4.06Å; I367-I405 HydrophobicContact CG2-CB 3.83Å; I367-I405 HydrophobicContact CG2-CD1 3.95Å; I367-I405 HydrophobicContact CG2-CG2 3.79Å; I367-L406 HydrophobicContact CG2-CD1 4.37Å; I367-L406 HydrophobicContact CG2-CD2 3.72Å; I367-L406 HydrophobicContact CG2-CG 3.84Å
368	K	98	Very high	96.3	Very high	91 Å²	91	45.6 Å²	45.6	40%	0.396	22%	0.216	S	C	.	.	H	α-helix	trans	-61.2	-46.6	173.3	-74.8	171.6	-174.4	166.4	0	112.2	K364 D365 A366 K371 E372 I405	K364-K368 WeakPolarHBondContact O-CG 3.18Å; K364-K368 PolarHBondContact O-N 3.32Å; K364-K368 VanDerWaalsContact O-N 3.09Å; D365-K368 PolarHBondContact O-N 2.91Å; D365-K368 IonicContact OD1-NZ 3.79Å; D365-K368 PolarHBondContact OD1-NZ 3.12Å; A366-K368 VanDerWaalsContact C-N 3.33Å; A366-K368 PolarHBondContact O-N 3.34Å; K368-K371 PolarHBondContact O-N 3Å; K368-E372 PolarHBondContact O-N 2.79Å; K368-E372 VanDerWaalsContact O-N 3.1Å; K368-I405 HydrophobicContact CG-CD1 3.92Å; K368-I405 HydrophobicContact CG-CG1 4.32Å; K368-I405 HydrophobicContact CG-CG2 4.14Å
369	A	96.3	Very high	96.8	Very high	11 Å²	11	49.8 Å²	49.8	9%	0.091	24%	0.238	C	C	.	.	H	α-helix	trans	-63.1	-43.1	178	0	0	0	0	0	111.3	T323 V327 D365 A366 E372 Y373	T323-A369 HydrophobicContact CG2-CB 4.44Å; V327-A369 HydrophobicContact CG2-CB 4.29Å; D365-A369 PolarHBondContact O-N 2.76Å; A366-A369 PolarHBondContact O-N 3.43Å; A369-E372 PolarHBondContact O-N 3Å; A369-Y373 WeakPolarHBondContact O-CD2 3.46Å; A369-Y373 PolarHBondContact O-N 2.74Å; A369-Y373 VanDerWaalsContact O-N 3.14Å
370	I	98.6	Very high	97.1	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-59.4	-50.5	175.4	-70.5	163.8	0	0	0	110.5	Y326 L330 V337 L339 A366 I367 E372 Y373 A374 L384 F433	Y326-I370 HydrophobicContact CD1-CD1 3.76Å; Y326-I370 HydrophobicContact CD1-CG1 3.94Å; Y326-I370 HydrophobicContact CE1-CD1 4.01Å; Y326-I370 HydrophobicContact CG-CD1 4.29Å; Y326-I370 HydrophobicContact CG-CG1 4.12Å; L330-I370 HydrophobicContact CD1-CB 4.49Å; L330-I370 HydrophobicContact CD1-CG1 4.38Å; L330-I370 HydrophobicContact CD1-CG2 4.47Å; V337-I370 HydrophobicContact CG2-CD1 4.19Å; L339-I370 HydrophobicContact CD2-CD1 4.08Å; A366-I370 WeakPolarHBondContact O-CB 3.26Å; A366-I370 VanDerWaalsContact O-CG1 3.28Å; A366-I370 WeakPolarHBondContact O-CG1 3.34Å; A366-I370 PolarHBondContact O-N 2.9Å; I367-I370 HydrophobicContact CD1-CD1 4.42Å; I367-I370 PolarHBondContact O-N 3.12Å; I370-E372 VanDerWaalsContact C-N 3.27Å; I370-E372 PolarHBondContact O-N 3.13Å; I370-Y373 PolarHBondContact O-N 3.4Å; I370-A374 WeakPolarHBondContact O-CA 3.43Å; I370-A374 WeakPolarHBondContact O-CB 3.49Å; I370-A374 PolarHBondContact O-N 3.14Å; I370-L384 HydrophobicContact CD1-CD2 4.23Å; I370-L384 HydrophobicContact CG2-CD2 3.93Å; I370-F433 HydrophobicContact CG2-CD1 4.32Å; I370-F433 HydrophobicContact CG2-CE1 3.62Å; I370-F433 HydrophobicContact CG2-CZ 4.31Å
371	K	98.1	Very high	97.4	Very high	103 Å²	103	42.2 Å²	42.2	45%	0.448	20%	0.199	S	C	.	.	H	α-helix	trans	-54.1	-44.5	178.3	-179.1	174	-176.6	-176.4	0	112.4	I367 K368 I405 L406	I367-K371 WeakPolarHBondContact O-CB 3.39Å; I367-K371 PolarHBondContact O-N 3.08Å; K368-K371 PolarHBondContact O-N 3Å; K371-I405 HydrophobicContact CB-CG2 4.15Å; K371-I405 HydrophobicContact CD-CG2 3.79Å; K371-I405 WeakPolarHBondContact CD-O 3.23Å; K371-I405 WeakPolarHBondContact CE-O 3.43Å; K371-I405 PolarHBondContact NZ-O 2.84Å; K371-L406 HydrophobicContact CB-CD2 3.94Å; K371-L406 HydrophobicContact CG-CD2 4.48Å
372	E	96.4	Very high	97.6	Very high	88 Å²	88	41.6 Å²	41.6	41%	0.411	20%	0.195	S	C	.	.	H	α-helix	trans	-68.9	-35.4	-175.7	-166.9	-162.5	140.7	0	0	112.3	K368 A369 I370 K376	K368-E372 PolarHBondContact O-N 2.79Å; K368-E372 VanDerWaalsContact O-N 3.1Å; A369-E372 PolarHBondContact O-N 3Å; I370-E372 VanDerWaalsContact C-N 3.27Å; I370-E372 PolarHBondContact O-N 3.13Å; E372-K376 WeakPolarHBondContact O-CE 3.31Å; E372-K376 IonicContact OE1-NZ 3.7Å; E372-K376 PolarHBondContact OE1-NZ 3.25Å
373	Y	97.3	Very high	97.6	Very high	16 Å²	16	38.2 Å²	38.2	6%	0.063	18%	0.178	C	C	.	.	H	α-helix	trans	-109.4	-14.4	-170.1	-71.1	-93.5	0	0	0	115.2	V327 L331 A369 I370 F375 K376	V327-Y373 HydrophobicContact CB-CD2 4.46Å; V327-Y373 HydrophobicContact CB-CG 4.35Å; V327-Y373 HydrophobicContact CG1-CD1 3.53Å; V327-Y373 HydrophobicContact CG1-CD2 4.15Å; V327-Y373 HydrophobicContact CG1-CE1 3.67Å; V327-Y373 HydrophobicContact CG1-CE2 4.29Å; V327-Y373 HydrophobicContact CG1-CG 3.8Å; V327-Y373 HydrophobicContact CG2-CD2 3.65Å; V327-Y373 HydrophobicContact CG2-CE2 3.94Å; V327-Y373 HydrophobicContact CG2-CG 3.99Å; L331-Y373 HydrophobicContact CD1-CD1 4.18Å; L331-Y373 HydrophobicContact CD1-CE1 4.45Å; L331-Y373 HydrophobicContact CD2-CD1 4.22Å; L331-Y373 HydrophobicContact CG-CD1 4.24Å; A369-Y373 WeakPolarHBondContact O-CD2 3.46Å; A369-Y373 PolarHBondContact O-N 2.74Å; A369-Y373 VanDerWaalsContact O-N 3.14Å; I370-Y373 PolarHBondContact O-N 3.4Å; Y373-F375 PolarHBondContact O-N 3.38Å; Y373-F375 VanDerWaalsContact O-N 3.15Å; Y373-K376 HydrophobicContact CD1-CD 3.59Å; Y373-K376 HydrophobicContact CE1-CD 3.95Å; Y373-K376 HydrophobicContact CG-CD 4.22Å; Y373-K376 VanDerWaalsContact CZ-NZ 3.27Å; Y373-K376 PolarHBondContact O-N 3.24Å
374	A	98	Very high	97.7	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51	-44.2	-175	0	0	0	0	0	112.7	L330 R335 I370 V382 F433	L330-A374 HydrophobicContact CD1-CB 4.49Å; R335-A374 PolarHBondContact NH1-O 3.02Å; R335-A374 PolarHBondContact NH2-O 3Å; I370-A374 WeakPolarHBondContact O-CA 3.43Å; I370-A374 WeakPolarHBondContact O-CB 3.49Å; I370-A374 PolarHBondContact O-N 3.14Å; A374-V382 HydrophobicContact CB-CG2 3.94Å; A374-F433 HydrophobicContact CB-CE1 3.47Å; A374-F433 VanDerWaalsContact CB-CE1 3.47Å; A374-F433 HydrophobicContact CB-CZ 3.51Å
375	F	97.9	Very high	97.7	Very high	50 Å²	50	35 Å²	35	22%	0.219	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107	12.9	-173.6	-48.1	-65.3	0	0	0	114.6	Y373 S378 V382 G431 F433	Y373-F375 PolarHBondContact O-N 3.38Å; Y373-F375 VanDerWaalsContact O-N 3.15Å; F375-S378 VanDerWaalsContact CA-O 3.25Å; F375-S378 WeakPolarHBondContact CA-O 3.43Å; F375-V382 HydrophobicContact CE1-CG2 4.15Å; F375-G431 WeakPolarHBondContact CE2-O 3.49Å; F375-G431 WeakPolarHBondContact CZ-O 3.38Å; F375-F433 HydrophobicContact CD2-CZ 4.37Å; F375-F433 HydrophobicContact CE2-CD2 4.3Å; F375-F433 HydrophobicContact CE2-CE1 4.16Å; F375-F433 AromaticContact CE2-CE2 3.5Å; F375-F433 HydrophobicContact CE2-CE2 3.5Å; F375-F433 VanDerWaalsContact CE2-CE2 3.5Å; F375-F433 AromaticContact CE2-CZ 3.41Å; F375-F433 HydrophobicContact CE2-CZ 3.41Å; F375-F433 VanDerWaalsContact CE2-CZ 3.41Å; F375-F433 HydrophobicContact CZ-CD1 4.44Å; F375-F433 HydrophobicContact CZ-CD2 4.33Å; F375-F433 HydrophobicContact CZ-CE1 4.02Å; F375-F433 AromaticContact CZ-CE2 3.89Å; F375-F433 HydrophobicContact CZ-CE2 3.89Å; F375-F433 AromaticContact CZ-CZ 3.72Å; F375-F433 HydrophobicContact CZ-CZ 3.72Å
376	K	95.6	Very high	97.8	Very high	113 Å²	113	32.6 Å²	32.6	49%	0.491	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-32.1	178.3	-74.9	-174.5	-179.9	164.9	0	113.4	L331 E372 Y373	L331-K376 HydrophobicContact CD2-CB 4.14Å; E372-K376 WeakPolarHBondContact O-CE 3.31Å; E372-K376 IonicContact OE1-NZ 3.7Å; E372-K376 PolarHBondContact OE1-NZ 3.25Å; Y373-K376 HydrophobicContact CD1-CD 3.59Å; Y373-K376 HydrophobicContact CE1-CD 3.95Å; Y373-K376 HydrophobicContact CG-CD 4.22Å; Y373-K376 VanDerWaalsContact CZ-NZ 3.27Å; Y373-K376 PolarHBondContact O-N 3.24Å
377	K	94.4	Very high	97.6	Very high	82 Å²	82	35.5 Å²	35.5	36%	0.357	17%	0.165	S	C	.	.	S	Bend	trans	-102.4	-29.5	-179.4	178	58.4	-175.2	163.4	0	113.2
378	S	97.4	Very high	97.4	Very high	7 Å²	7	37 Å²	37	5%	0.049	17%	0.173	C	C	.	.			trans	-151	132.8	-174.6	170.2	0	0	0	0	109.2	R335 F375 Y380 G594	R335-S378 PolarHBondContact NH1-O 3.44Å; F375-S378 VanDerWaalsContact CA-O 3.25Å; F375-S378 WeakPolarHBondContact CA-O 3.43Å; S378-Y380 VanDerWaalsContact C-N 3.26Å; S378-Y380 PolarHBondContact O-N 2.64Å; S378-Y380 PolarHBondContact OG-N 2.88Å; S378-G594 WeakPolarHBondContact CB-O 3.24Å; S378-G594 WeakPolarHBondContact OG-CA 3.4Å; S378-G594 PolarHBondContact OG-O 2.85Å
379	D	97.8	Very high	97.2	Very high	98 Å²	98	35.5 Å²	35.5	52%	0.524	17%	0.167	S	C	.	.			trans	-79.1	-10.8	178.3	-60.3	-37.3	0	0	0	112.9	K430 G431	D379-K430 HydrophobicContact CB-CD 4.43Å; D379-K430 HydrophobicContact CB-CG 4.33Å; D379-K430 CarbonylContact O-C 3.59Å; D379-K430 VanDerWaalsContact O-CA 3.28Å; D379-K430 WeakPolarHBondContact O-CA 3.16Å; D379-G431 PolarHBondContact O-N 2.6Å
380	Y	98.8	Very high	97.2	Very high	11 Å²	11	35.3 Å²	35.3	4%	0.043	17%	0.165	C	C	.	.	S	Bend	trans	-72.5	154.4	-175.6	-67.8	-63.9	0	0	0	112.9	V291 M295 R335 S378 P426 E427 K430 Y596	V291-Y380 HydrophobicContact CG2-CE2 4.07Å; M295-Y380 HydrophobicContact CB-CE1 4.09Å; M295-Y380 HydrophobicContact CE-CD1 3.87Å; M295-Y380 HydrophobicContact CE-CD2 4.08Å; M295-Y380 HydrophobicContact CE-CE1 3.54Å; M295-Y380 HydrophobicContact CE-CE2 3.77Å; M295-Y380 HydrophobicContact CE-CG 4.14Å; M295-Y380 HydrophobicContact CG-CE1 4.19Å; M295-Y380 WeakPolarHBondContact CG-OH 3.42Å; R335-Y380 PolarHBondContact NH1-O 3.44Å; R335-Y380 VanDerWaalsContact NH1-O 3.14Å; S378-Y380 VanDerWaalsContact C-N 3.26Å; S378-Y380 PolarHBondContact O-N 2.64Å; S378-Y380 PolarHBondContact OG-N 2.88Å; Y380-P426 HydrophobicContact CD1-CB 3.65Å; Y380-P426 WeakPolarHBondContact CD1-O 3.33Å; Y380-P426 HydrophobicContact CE1-CB 4.15Å; Y380-P426 HydrophobicContact CG-CB 4.43Å; Y380-E427 PolarHBondContact OH-OE2 3.38Å; Y380-K430 HydrophobicContact CD1-CG 4.12Å; Y380-K430 HydrophobicContact CE1-CD 4.47Å; Y380-K430 VanDerWaalsContact CE1-CE 3.43Å; Y380-K430 HydrophobicContact CE1-CG 4.23Å; Y380-Y596 HydrophobicContact CG-CD2 4.09Å
381	P	98.8	Very high	97	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.177	C	C	.	.			trans	-58.5	151.2	-169	20.7	-34.5	0	0	0	114.3	L299 P426 L429 K432 Y596	L299-P381 HydrophobicContact CD1-CG 4.45Å; P381-P426 WeakPolarHBondContact CD-O 3.5Å; P381-L429 HydrophobicContact CB-CB 3.79Å; P381-L429 WeakPolarHBondContact CB-O 3.23Å; P381-L429 WeakPolarHBondContact CD-O 3.29Å; P381-L429 HydrophobicContact CG-CB 3.57Å; P381-L429 HydrophobicContact CG-CD1 4.33Å; P381-K432 VanDerWaalsContact CA-O 3.31Å; P381-K432 WeakPolarHBondContact CA-O 3.06Å; P381-Y596 HydrophobicContact CG-CE2 4.31Å; P381-Y596 WeakPolarHBondContact O-CE2 3.22Å; P381-Y596 PolarHBondContact O-OH 3.33Å
382	V	98.9	Very high	96.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	127.2	175	177.3	0	0	0	0	110.6	L330 R335 V337 A374 F375 L384 K432 F433 L434	L330-V382 HydrophobicContact CD2-CG1 4.19Å; L330-V382 HydrophobicContact CD2-CG2 4.2Å; R335-V382 CarbonylContact O-C 3.58Å; R335-V382 WeakPolarHBondContact O-CA 3.37Å; V337-V382 HydrophobicContact CG2-CG1 4.45Å; A374-V382 HydrophobicContact CB-CG2 3.94Å; F375-V382 HydrophobicContact CE1-CG2 4.15Å; V382-L384 HydrophobicContact CG1-CD2 3.88Å; V382-K432 PolarHBondContact N-O 3.21Å; V382-F433 HydrophobicContact CB-CD1 3.92Å; V382-F433 HydrophobicContact CB-CE1 4.03Å; V382-F433 HydrophobicContact CG1-CD1 4.29Å; V382-F433 HydrophobicContact CG1-CE1 4.37Å; V382-F433 WeakPolarHBondContact O-CA 3.31Å; V382-L434 PolarHBondContact O-N 2.83Å
383	I	98.9	Very high	96.8	Very high	1 Å²	1	36 Å²	36	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	126.1	174	-55.6	171.6	0	0	0	109	I304 R335 C336 V337 L434 K436 I569	I304-I383 HydrophobicContact CD1-CD1 4.23Å; R335-I383 PolarHBondContact O-N 3.21Å; C336-I383 WeakPolarHBondContact CA-O 3.37Å; C336-I383 HydrophobicContact CB-CB 4.18Å; V337-I383 PolarHBondContact N-O 2.93Å; I383-L434 CarbonylContact C-O 3.55Å; I383-L434 WeakPolarHBondContact CA-O 3.31Å; I383-L434 HydrophobicContact CG1-CB 4.28Å; I383-L434 HydrophobicContact CG1-CD1 4.23Å; I383-K436 HydrophobicContact CG2-CB 3.96Å; I383-I569 HydrophobicContact CD1-CD1 3.89Å
384	L	98.9	Very high	96.8	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	105.9	172.8	-50.9	-173.1	0	0	0	108.4	V337 L339 I367 I370 V382 L386 L406 F433 L434 I435 K436	V337-L384 HydrophobicContact CG2-CD2 3.62Å; L339-L384 HydrophobicContact CD1-CB 4.01Å; L339-L384 HydrophobicContact CD1-CD2 4.5Å; I367-L384 HydrophobicContact CD1-CD1 4.21Å; I370-L384 HydrophobicContact CD1-CD2 4.23Å; I370-L384 HydrophobicContact CG2-CD2 3.93Å; V382-L384 HydrophobicContact CG1-CD2 3.88Å; L384-L386 PolarHBondContact O-N 3.39Å; L384-L406 HydrophobicContact CD1-CD1 3.97Å; L384-F433 HydrophobicContact CD1-CD1 4.41Å; L384-F433 HydrophobicContact CD2-CD1 4.37Å; L384-F433 HydrophobicContact CG-CD1 4.45Å; L384-L434 PolarHBondContact N-O 2.86Å; L384-I435 HydrophobicContact CB-CD1 3.92Å; L384-I435 HydrophobicContact CD1-CD1 3.84Å; L384-I435 HydrophobicContact CG-CD1 4.18Å; L384-K436 PolarHBondContact O-N 3.23Å
385	S	98.6	Very high	96.8	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.007	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	106.4	177.4	-179.5	0	0	0	0	109.8	V337 E338 L339	V337-S385 PolarHBondContact O-N 2.83Å; E338-S385 WeakPolarHBondContact CA-O 3.24Å; L339-S385 PolarHBondContact N-O 2.78Å
386	L	97.7	Very high	96.7	Very high	13 Å²	13	35 Å²	35	7%	0.068	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	123.4	179	-56.1	-176.7	0	0	0	110.5	L339 F363 L384 M398 M402 I435 K436 L488	L339-L386 HydrophobicContact CB-CD2 3.99Å; L339-L386 HydrophobicContact CD1-CD2 4.07Å; L339-L386 HydrophobicContact CD2-CD2 4.48Å; L339-L386 HydrophobicContact CG-CD2 4.41Å; F363-L386 HydrophobicContact CE2-CD2 4.32Å; L384-L386 PolarHBondContact O-N 3.39Å; L386-M398 HydrophobicContact CD1-CE 4.27Å; L386-M402 HydrophobicContact CD1-CE 3.98Å; L386-M402 HydrophobicContact CD1-SD 4.35Å; L386-I435 HydrophobicContact CD1-CG2 3.56Å; L386-I435 HydrophobicContact CG-CG2 4.03Å; L386-K436 PolarHBondContact N-O 3.08Å; L386-L488 HydrophobicContact CD1-CD1 3.96Å
387	E	95.3	Very high	96.8	Very high	61 Å²	61	30.3 Å²	30.3	29%	0.285	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	105.6	161.3	-167.5	-177.9	136.8	0	0	107.6	L339 C341 H389	L339-E387 PolarHBondContact O-N 3.04Å; C341-E387 PolarHBondContact N-O 3.4Å; E387-H389 WeakPolarHBondContact CG-NE2 3.26Å; E387-H389 IonicContact OE1-CD2 3.71Å; E387-H389 IonicContact OE1-CE1 2.76Å; E387-H389 PolarHBondContact OE1-CE1 2.94Å; E387-H389 IonicContact OE1-NE2 3.59Å; E387-H389 PolarHBondContact OE1-NE2 3.21Å
388	N	94.2	Very high	97	Very high	31 Å²	31	26.4 Å²	26.4	17%	0.166	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	114.1	-165.5	175.4	33.4	0	0	0	112.2	C390 Q395	N388-C390 WeakPolarHBondContact OD1-CB 3.32Å; N388-C390 PolarHBondContact OD1-N 3.38Å; N388-C390 VanDerWaalsContact OD1-N 3.1Å; N388-Q395 WeakPolarHBondContact ND2-CG 3.47Å; N388-Q395 PolarHBondContact ND2-NE2 2.65Å; N388-Q395 VanDerWaalsContact ND2-NE2 3.2Å
389	H	94.4	Very high	97.1	Very high	59 Å²	59	26.1 Å²	26.1	27%	0.273	14%	0.139	S	C	.	.			trans	-118.3	12.2	174.8	-56.3	-80.7	0	0	0	112.7	C341 W342 E387	C341-H389 WeakPolarHBondContact O-CA 3.33Å; C341-H389 WeakPolarHBondContact O-CB 3.46Å; C341-H389 PolarHBondContact O-N 2.8Å; W342-H389 HydrophobicContact CD2-CB 3.63Å; W342-H389 AromaticContact CD2-CG 3.99Å; W342-H389 AromaticContact CE2-CD2 3.35Å; W342-H389 AromaticContact CE2-CG 3.65Å; W342-H389 HydrophobicContact CE3-CB 3.55Å; W342-H389 HydrophobicContact CG-CB 4.25Å; W342-H389 HydrophobicContact CH2-CB 3.88Å; W342-H389 AromaticContact CH2-CD2 3.96Å; W342-H389 AromaticContact CH2-CG 3.59Å; W342-H389 AromaticContact CH2-ND1 3.73Å; W342-H389 HydrophobicContact CZ2-CB 3.96Å; W342-H389 AromaticContact CZ2-CD2 3.3Å; W342-H389 WeakPolarHBondContact CZ2-CD2 3.09Å; W342-H389 AromaticContact CZ2-CE1 3.9Å; W342-H389 AromaticContact CZ2-CG 3.43Å; W342-H389 VanDerWaalsContact CZ2-CG 3.43Å; W342-H389 AromaticContact CZ2-ND1 3.83Å; W342-H389 AromaticContact CZ2-NE2 3.58Å; W342-H389 HydrophobicContact CZ3-CB 3.69Å; W342-H389 AromaticContact CZ3-CG 3.96Å; W342-H389 AromaticContact NE1-CD2 3.59Å; E387-H389 WeakPolarHBondContact CG-NE2 3.26Å; E387-H389 IonicContact OE1-CD2 3.71Å; E387-H389 IonicContact OE1-CE1 2.76Å; E387-H389 PolarHBondContact OE1-CE1 2.94Å; E387-H389 IonicContact OE1-NE2 3.59Å; E387-H389 PolarHBondContact OE1-NE2 3.21Å
390	C	94.9	Very high	97.1	Very high	7 Å²	7	27.2 Å²	27.2	5%	0.047	14%	0.141	C	C	.	.			trans	-80	155.4	-178	-64.5	0	0	0	0	112.6	C341 W342 D343 N388 Q394 Q395 M398	C341-C390 VanDerWaalsContact C-SG 3.55Å; W342-C390 PolarHBondContact N-SG 2.95Å; D343-C390 WeakPolarHBondContact OD1-CA 3.39Å; D343-C390 WeakPolarHBondContact OD1-CB 3.3Å; N388-C390 WeakPolarHBondContact OD1-CB 3.32Å; N388-C390 PolarHBondContact OD1-N 3.38Å; N388-C390 VanDerWaalsContact OD1-N 3.1Å; C390-Q394 HydrophobicContact CB-CB 4.02Å; C390-Q395 HydrophobicContact CB-CG 3.91Å; C390-Q395 PolarHBondContact O-NE2 3.06Å; C390-M398 HydrophobicContact CB-SD 4.06Å
391	S	94.8	Very high	97.1	Very high	36 Å²	36	27.7 Å²	27.7	25%	0.252	14%	0.143	S	C	.	.			trans	-62.3	160.3	165.8	92.3	0	0	0	0	111.3	D343 E393 Q394 Q395	D343-S391 PolarHBondContact OD1-N 2.74Å; D343-S391 PolarHBondContact OD2-N 2.9Å; S391-E393 VanDerWaalsContact CB-OE2 3.3Å; S391-E393 WeakPolarHBondContact CB-OE2 3.3Å; S391-E393 PolarHBondContact O-N 3.03Å; S391-E393 PolarHBondContact OG-N 3.21Å; S391-E393 PolarHBondContact OG-OE2 3.44Å; S391-Q394 PolarHBondContact O-N 3Å; S391-Q394 VanDerWaalsContact O-N 3.16Å; S391-Q394 PolarHBondContact OG-N 2.88Å; S391-Q395 WeakPolarHBondContact O-CB 3.27Å; S391-Q395 VanDerWaalsContact O-CG 3.22Å; S391-Q395 WeakPolarHBondContact O-CG 3.38Å; S391-Q395 PolarHBondContact O-N 3.23Å
392	V	94.8	Very high	97.1	Very high	47 Å²	47	27.7 Å²	27.7	29%	0.285	14%	0.143	S	C	.	.	H	α-helix	trans	-58	-37.8	179.4	176.7	0	0	0	0	111	Q395 S396 K483 A485	V392-Q395 PolarHBondContact O-N 3.38Å; V392-S396 PolarHBondContact O-N 3.22Å; V392-S396 VanDerWaalsContact O-N 3.1Å; V392-S396 PolarHBondContact O-OG 2.88Å; V392-K483 HydrophobicContact CG2-CB 3.4Å; V392-K483 VanDerWaalsContact CG2-CB 3.4Å; V392-K483 HydrophobicContact CG2-CD 4.3Å; V392-A485 HydrophobicContact CG1-CB 4.04Å
393	E	95.2	Very high	97	Very high	122 Å²	122	30.3 Å²	30.3	57%	0.57	16%	0.161	S	C	*	.	H	α-helix	trans	-62.8	-47.3	177.9	-58.9	75.3	-163.8	0	0	111.4	S391 S396 V397	S391-E393 VanDerWaalsContact CB-OE2 3.3Å; S391-E393 WeakPolarHBondContact CB-OE2 3.3Å; S391-E393 PolarHBondContact O-N 3.03Å; S391-E393 PolarHBondContact OG-N 3.21Å; S391-E393 PolarHBondContact OG-OE2 3.44Å; E393-S396 WeakPolarHBondContact O-CB 3.48Å; E393-S396 PolarHBondContact O-N 2.94Å; E393-V397 PolarHBondContact O-N 3.2Å
394	Q	97.1	Very high	97	Very high	14 Å²	14	35.1 Å²	35.1	7%	0.065	20%	0.195	C	C	.	.	H	α-helix	trans	-74.5	-26.7	178.7	-71.9	-156.2	38	0	0	112.9	D343 G344 N347 P349 C390 S391 S396 V397 M398	D343-Q394 VanDerWaalsContact CA-OE1 3.31Å; D343-Q394 WeakPolarHBondContact OD1-CB 3.41Å; G344-Q394 PolarHBondContact O-NE2 3.28Å; N347-Q394 WeakPolarHBondContact OD1-CG 3.47Å; P349-Q394 HydrophobicContact CG-CB 4.17Å; P349-Q394 WeakPolarHBondContact CG-O 3.49Å; C390-Q394 HydrophobicContact CB-CB 4.02Å; S391-Q394 PolarHBondContact O-N 3Å; S391-Q394 VanDerWaalsContact O-N 3.16Å; S391-Q394 PolarHBondContact OG-N 2.88Å; Q394-S396 VanDerWaalsContact C-N 3.33Å; Q394-V397 WeakPolarHBondContact O-CB 3.31Å; Q394-V397 PolarHBondContact O-N 3.37Å; Q394-V397 VanDerWaalsContact O-N 3.17Å; Q394-M398 WeakPolarHBondContact O-CG 3.35Å; Q394-M398 PolarHBondContact O-N 3.23Å
395	Q	97.5	Very high	97	Very high	1 Å²	1	36 Å²	36	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-62.2	-40	168.8	-71.8	174.4	37.1	0	0	111.8	N388 C390 S391 V392 V397 M398 A399 K483 A485 L488	N388-Q395 WeakPolarHBondContact ND2-CG 3.47Å; N388-Q395 PolarHBondContact ND2-NE2 2.65Å; N388-Q395 VanDerWaalsContact ND2-NE2 3.2Å; C390-Q395 HydrophobicContact CB-CG 3.91Å; C390-Q395 PolarHBondContact O-NE2 3.06Å; S391-Q395 WeakPolarHBondContact O-CB 3.27Å; S391-Q395 VanDerWaalsContact O-CG 3.22Å; S391-Q395 WeakPolarHBondContact O-CG 3.38Å; S391-Q395 PolarHBondContact O-N 3.23Å; V392-Q395 PolarHBondContact O-N 3.38Å; Q395-V397 VanDerWaalsContact C-N 3.3Å; Q395-V397 PolarHBondContact O-N 3.2Å; Q395-M398 WeakPolarHBondContact O-CB 3.28Å; Q395-M398 PolarHBondContact O-N 2.66Å; Q395-A399 PolarHBondContact O-N 3.43Å; Q395-K483 PolarHBondContact NE2-O 2.94Å; Q395-A485 HydrophobicContact CB-CB 3.64Å; Q395-L488 HydrophobicContact CB-CD2 3.9Å; Q395-L488 HydrophobicContact CG-CD2 3.9Å
396	S	97.3	Very high	97	Very high	31 Å²	31	36.1 Å²	36.1	22%	0.217	20%	0.2	C	C	.	.	H	α-helix	trans	-63.7	-36.2	172.5	-62	0	0	0	0	111.8	V392 E393 Q394 A399 Q400	V392-S396 PolarHBondContact O-N 3.22Å; V392-S396 VanDerWaalsContact O-N 3.1Å; V392-S396 PolarHBondContact O-OG 2.88Å; E393-S396 WeakPolarHBondContact O-CB 3.48Å; E393-S396 PolarHBondContact O-N 2.94Å; Q394-S396 VanDerWaalsContact C-N 3.33Å; S396-A399 PolarHBondContact O-N 3.42Å; S396-Q400 VanDerWaalsContact O-CG 3.28Å; S396-Q400 WeakPolarHBondContact O-CG 3.35Å; S396-Q400 PolarHBondContact O-N 3.3Å
397	V	98.1	Very high	96.9	Very high	14 Å²	14	37.1 Å²	37.1	9%	0.085	21%	0.214	C	C	.	.	H	α-helix	trans	-66.1	-40.5	173	178.8	0	0	0	0	111.7	N347 P349 E393 Q394 Q395 A399 Q400 H401	N347-V397 WeakPolarHBondContact ND2-CG2 3.47Å; P349-V397 HydrophobicContact CG-CB 4.18Å; P349-V397 HydrophobicContact CG-CG1 4.08Å; E393-V397 PolarHBondContact O-N 3.2Å; Q394-V397 WeakPolarHBondContact O-CB 3.31Å; Q394-V397 PolarHBondContact O-N 3.37Å; Q394-V397 VanDerWaalsContact O-N 3.17Å; Q395-V397 VanDerWaalsContact C-N 3.3Å; Q395-V397 PolarHBondContact O-N 3.2Å; V397-A399 VanDerWaalsContact C-N 3.34Å; V397-A399 PolarHBondContact O-N 2.92Å; V397-Q400 PolarHBondContact O-N 3.45Å; V397-H401 WeakPolarHBondContact CG1-NE2 3.1Å; V397-H401 PolarHBondContact O-CD2 2.96Å; V397-H401 PolarHBondContact O-N 2.7Å
398	M	98.4	Very high	97	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-58.2	-47.3	173.4	-68	168.8	56	0	0	111.3	C341 P349 F363 L386 C390 Q394 Q395 H401 M402 L488	C341-M398 HydrophobicContact CB-CE 3.56Å; C341-M398 HydrophobicContact CB-SD 3.8Å; C341-M398 WeakPolarHBondContact SG-CE 3.47Å; P349-M398 HydrophobicContact CB-CG 3.82Å; P349-M398 HydrophobicContact CB-SD 4.5Å; P349-M398 HydrophobicContact CG-CG 3.6Å; F363-M398 HydrophobicContact CD1-CB 4.38Å; F363-M398 HydrophobicContact CD1-CG 4.19Å; F363-M398 HydrophobicContact CD2-CG 4.49Å; F363-M398 HydrophobicContact CE1-CB 3.89Å; F363-M398 HydrophobicContact CE1-CG 4.13Å; F363-M398 HydrophobicContact CE2-CE 3.96Å; F363-M398 HydrophobicContact CE2-CG 4.45Å; F363-M398 HydrophobicContact CG-CG 4.37Å; F363-M398 HydrophobicContact CZ-CB 4.06Å; F363-M398 HydrophobicContact CZ-CE 4.2Å; F363-M398 HydrophobicContact CZ-CG 4.27Å; L386-M398 HydrophobicContact CD1-CE 4.27Å; C390-M398 HydrophobicContact CB-SD 4.06Å; Q394-M398 WeakPolarHBondContact O-CG 3.35Å; Q394-M398 PolarHBondContact O-N 3.23Å; Q395-M398 WeakPolarHBondContact O-CB 3.28Å; Q395-M398 PolarHBondContact O-N 2.66Å; M398-H401 PolarHBondContact O-N 2.9Å; M398-M402 WeakPolarHBondContact O-CG 3.33Å; M398-M402 PolarHBondContact O-N 2.93Å; M398-L488 HydrophobicContact CE-CD2 4.38Å
399	A	98.1	Very high	97.2	Very high	2 Å²	2	39 Å²	39	2%	0.017	24%	0.237	C	C	.	.	H	α-helix	trans	-59.1	-47.4	175.9	0	0	0	0	0	111.2	Q395 S396 V397 H401 M402 S403 D487 L488 M491	Q395-A399 PolarHBondContact O-N 3.43Å; S396-A399 PolarHBondContact O-N 3.42Å; V397-A399 VanDerWaalsContact C-N 3.34Å; V397-A399 PolarHBondContact O-N 2.92Å; A399-H401 PolarHBondContact O-N 3.13Å; A399-M402 PolarHBondContact O-N 3.24Å; A399-S403 WeakPolarHBondContact O-CB 3.41Å; A399-S403 PolarHBondContact O-N 3.31Å; A399-S403 PolarHBondContact O-OG 3.13Å; A399-D487 HydrophobicContact CB-CB 3.86Å; A399-L488 HydrophobicContact CB-CB 4.46Å; A399-M491 HydrophobicContact CB-CE 3.69Å; A399-M491 HydrophobicContact CB-SD 4.09Å; A399-M491 VanDerWaalsContact O-CE 3.24Å; A399-M491 WeakPolarHBondContact O-CE 3.38Å
400	Q	98.2	Very high	97.4	Very high	121 Å²	121	36.6 Å²	36.6	57%	0.565	23%	0.226	S	C	*	.	H	α-helix	trans	-58.8	-45.1	176.5	-73.3	172.6	5.2	0	0	112.7	S396 V397 S404	S396-Q400 VanDerWaalsContact O-CG 3.28Å; S396-Q400 WeakPolarHBondContact O-CG 3.35Å; S396-Q400 PolarHBondContact O-N 3.3Å; V397-Q400 PolarHBondContact O-N 3.45Å; Q400-S404 WeakPolarHBondContact O-CB 3.29Å; Q400-S404 PolarHBondContact O-N 3.36Å
401	H	98.6	Very high	97.5	Very high	20 Å²	20	36.7 Å²	36.7	9%	0.093	23%	0.227	C	C	.	.	H	α-helix	trans	-62.7	-45.9	177.2	-75.6	-37	0	0	0	111.8	E348 F363 V397 M398 A399 I405	E348-H401 IonicContact OE1-CE1 2.66Å; E348-H401 IonicContact OE1-NE2 3.25Å; E348-H401 IonicContact OE2-CD2 2.92Å; E348-H401 IonicContact OE2-CE1 2.66Å; E348-H401 IonicContact OE2-NE2 2.83Å; E348-H401 PolarHBondContact OE2-NE2 3.1Å; F363-H401 HydrophobicContact CD1-CB 4.24Å; F363-H401 HydrophobicContact CE1-CB 4.16Å; V397-H401 WeakPolarHBondContact CG1-NE2 3.1Å; V397-H401 PolarHBondContact O-CD2 2.96Å; V397-H401 PolarHBondContact O-N 2.7Å; M398-H401 PolarHBondContact O-N 2.9Å; A399-H401 PolarHBondContact O-N 3.13Å; H401-I405 HydrophobicContact CB-CD1 4.18Å; H401-I405 WeakPolarHBondContact O-CB 3.3Å; H401-I405 WeakPolarHBondContact O-CD1 3.32Å; H401-I405 WeakPolarHBondContact O-CG1 3.18Å; H401-I405 PolarHBondContact O-N 2.82Å
402	M	98.6	Very high	97.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-62.2	-48.9	177.5	-73.6	-171.3	-72.2	0	0	111.7	F363 I367 L386 M398 A399 L406 L410 I435 L488 M491	F363-M402 HydrophobicContact CE1-CG 3.92Å; F363-M402 HydrophobicContact CZ-CE 4.24Å; F363-M402 HydrophobicContact CZ-CG 3.77Å; F363-M402 HydrophobicContact CZ-SD 3.95Å; I367-M402 HydrophobicContact CD1-CG 4.08Å; I367-M402 HydrophobicContact CG1-CG 4.25Å; L386-M402 HydrophobicContact CD1-CE 3.98Å; L386-M402 HydrophobicContact CD1-SD 4.35Å; M398-M402 WeakPolarHBondContact O-CG 3.33Å; M398-M402 PolarHBondContact O-N 2.93Å; A399-M402 PolarHBondContact O-N 3.24Å; M402-L406 HydrophobicContact CB-CD1 4.37Å; M402-L406 WeakPolarHBondContact O-CA 3.19Å; M402-L406 WeakPolarHBondContact O-CB 3.21Å; M402-L406 WeakPolarHBondContact O-CG 3.49Å; M402-L406 PolarHBondContact O-N 3.26Å; M402-L410 HydrophobicContact CB-CD2 4.17Å; M402-I435 HydrophobicContact SD-CD1 3.65Å; M402-I435 HydrophobicContact SD-CG1 4.39Å; M402-L488 HydrophobicContact CE-CD1 3.48Å; M402-L488 VanDerWaalsContact CE-CD1 3.48Å; M402-M491 HydrophobicContact CB-SD 4.3Å; M402-M491 HydrophobicContact CE-SD 3.68Å
403	S	97.9	Very high	97.3	Very high	55 Å²	55	40.6 Å²	40.6	39%	0.385	25%	0.25	S	C	.	.	H	α-helix	trans	-60.3	-47.7	177.5	-73	0	0	0	0	112.5	A399 G407 M491	A399-S403 WeakPolarHBondContact O-CB 3.41Å; A399-S403 PolarHBondContact O-N 3.31Å; A399-S403 PolarHBondContact O-OG 3.13Å; S403-G407 VanDerWaalsContact O-CA 3.27Å; S403-G407 WeakPolarHBondContact O-CA 3.43Å; S403-G407 PolarHBondContact O-N 3.38Å; S403-M491 WeakPolarHBondContact OG-CE 3.21Å
404	S	98.2	Very high	97.2	Very high	102 Å²	102	35.5 Å²	35.5	71%	0.713	23%	0.227	S	C	*	.	H	α-helix	trans	-68.7	-43.9	-177.4	178.5	0	0	0	0	112	Q400	Q400-S404 WeakPolarHBondContact O-CB 3.29Å; Q400-S404 PolarHBondContact O-N 3.36Å
405	I	98.6	Very high	96.9	Very high	19 Å²	19	37.7 Å²	37.7	10%	0.097	24%	0.239	C	C	.	.	H	α-helix	trans	-76.6	-58	-177.2	-62.5	162.5	0	0	0	109.3	K364 I367 K368 K371 H401 G407	K364-I405 HydrophobicContact CG-CD1 3.83Å; I367-I405 HydrophobicContact CB-CD1 4.06Å; I367-I405 HydrophobicContact CG2-CB 3.83Å; I367-I405 HydrophobicContact CG2-CD1 3.95Å; I367-I405 HydrophobicContact CG2-CG2 3.79Å; K368-I405 HydrophobicContact CG-CD1 3.92Å; K368-I405 HydrophobicContact CG-CG1 4.32Å; K368-I405 HydrophobicContact CG-CG2 4.14Å; K371-I405 HydrophobicContact CB-CG2 4.15Å; K371-I405 HydrophobicContact CD-CG2 3.79Å; K371-I405 WeakPolarHBondContact CD-O 3.23Å; K371-I405 WeakPolarHBondContact CE-O 3.43Å; K371-I405 PolarHBondContact NZ-O 2.84Å; H401-I405 HydrophobicContact CB-CD1 4.18Å; H401-I405 WeakPolarHBondContact O-CB 3.3Å; H401-I405 WeakPolarHBondContact O-CD1 3.32Å; H401-I405 WeakPolarHBondContact O-CG1 3.18Å; H401-I405 PolarHBondContact O-N 2.82Å; I405-G407 VanDerWaalsContact C-N 3.34Å; I405-G407 PolarHBondContact O-N 2.93Å
406	L	98.4	Very high	96.4	Very high	3 Å²	3	40.5 Å²	40.5	2%	0.016	27%	0.268	C	S	.	.	H	α-helix	trans	-71.9	-28.6	-173.5	-55.5	-179.9	0	0	0	112.4	I367 K371 L384 M402 A409 L410 F433	I367-L406 HydrophobicContact CG2-CD1 4.37Å; I367-L406 HydrophobicContact CG2-CD2 3.72Å; I367-L406 HydrophobicContact CG2-CG 3.84Å; K371-L406 HydrophobicContact CB-CD2 3.94Å; K371-L406 HydrophobicContact CG-CD2 4.48Å; L384-L406 HydrophobicContact CD1-CD1 3.97Å; M402-L406 HydrophobicContact CB-CD1 4.37Å; M402-L406 WeakPolarHBondContact O-CA 3.19Å; M402-L406 WeakPolarHBondContact O-CB 3.21Å; M402-L406 WeakPolarHBondContact O-CG 3.49Å; M402-L406 PolarHBondContact O-N 3.26Å; L406-A409 WeakPolarHBondContact O-CB 3.13Å; L406-A409 PolarHBondContact O-N 3.25Å; L406-L410 HydrophobicContact CB-CB 3.95Å; L406-L410 HydrophobicContact CD1-CB 4.44Å; L406-L410 HydrophobicContact CD1-CD1 4.04Å; L406-F433 HydrophobicContact CB-CD2 4.19Å; L406-F433 HydrophobicContact CD1-CB 4.07Å; L406-F433 HydrophobicContact CD1-CD2 4.11Å; L406-F433 HydrophobicContact CD1-CG 4.03Å; L406-F433 HydrophobicContact CD2-CD2 3.91Å; L406-F433 HydrophobicContact CD2-CE2 3.77Å; L406-F433 HydrophobicContact CD2-CG 4.35Å; L406-F433 HydrophobicContact CD2-CZ 4.12Å; L406-F433 HydrophobicContact CG-CD2 4.29Å
407	G	97.4	Very high	95.6	Very high	35 Å²	35	47.7 Å²	47.7	36%	0.361	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	59.3	-137.5	177	0	0	0	0	0	112.3	S403 I405 A409 L410	S403-G407 VanDerWaalsContact O-CA 3.27Å; S403-G407 WeakPolarHBondContact O-CA 3.43Å; S403-G407 PolarHBondContact O-N 3.38Å; I405-G407 VanDerWaalsContact C-N 3.34Å; I405-G407 PolarHBondContact O-N 2.93Å; G407-A409 PolarHBondContact O-N 2.95Å; G407-A409 VanDerWaalsContact O-N 3.1Å; G407-L410 WeakPolarHBondContact O-CB 3.43Å; G407-L410 PolarHBondContact O-N 3.41Å; G407-L410 VanDerWaalsContact O-N 3.08Å
408	S	96.3	Very high	94.9	Very high	111 Å²	111	48.8 Å²	48.8	78%	0.776	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-67.7	-7.4	-178.9	59.1	0	0	0	0	115.1	L410 K432	S408-L410 VanDerWaalsContact C-N 3.34Å; S408-K432 PolarHBondContact O-NZ 2.9Å
409	A	97.9	Very high	94.5	Very high	19 Å²	19	51.8 Å²	51.8	16%	0.157	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-76.8	-22.7	172.1	0	0	0	0	0	112.1	L406 G407 G431 K432 F433	L406-A409 WeakPolarHBondContact O-CB 3.13Å; L406-A409 PolarHBondContact O-N 3.25Å; G407-A409 PolarHBondContact O-N 2.95Å; G407-A409 VanDerWaalsContact O-N 3.1Å; A409-G431 WeakPolarHBondContact CB-O 3.46Å; A409-K432 CarbonylContact O-C 3.42Å; A409-K432 VanDerWaalsContact O-CA 3.27Å; A409-K432 WeakPolarHBondContact O-CA 3.35Å; A409-K432 WeakPolarHBondContact O-CD 3.36Å; A409-F433 HydrophobicContact CB-CD2 3.71Å; A409-F433 HydrophobicContact CB-CE2 3.87Å; A409-F433 PolarHBondContact O-N 3.16Å
410	L	98.5	Very high	94.1	Very high	9 Å²	9	52.6 Å²	52.6	5%	0.047	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-75.6	127.5	175.4	-177.9	60.6	0	0	0	110.4	M402 L406 G407 S408 T412 F433 I435 M491	M402-L410 HydrophobicContact CB-CD2 4.17Å; L406-L410 HydrophobicContact CB-CB 3.95Å; L406-L410 HydrophobicContact CD1-CB 4.44Å; L406-L410 HydrophobicContact CD1-CD1 4.04Å; G407-L410 WeakPolarHBondContact O-CB 3.43Å; G407-L410 PolarHBondContact O-N 3.41Å; G407-L410 VanDerWaalsContact O-N 3.08Å; S408-L410 VanDerWaalsContact C-N 3.34Å; L410-T412 HydrophobicContact CD2-CG2 3.99Å; L410-T412 HydrophobicContact CG-CG2 3.9Å; L410-T412 PolarHBondContact O-N 2.72Å; L410-F433 HydrophobicContact CD1-CB 4.29Å; L410-I435 HydrophobicContact CD1-CD1 3.75Å; L410-I435 HydrophobicContact CD1-CG1 3.69Å; L410-M491 HydrophobicContact CD2-CE 4.07Å; L410-M491 HydrophobicContact CD2-SD 4.11Å
411	V	97.6	Very high	93.7	Very high	10 Å²	10	52.9 Å²	52.9	6%	0.061	35%	0.349	C	S	.	.			trans	-82.1	110.3	174.4	-179.8	0	0	0	0	109	T413 L415 L429 K432 F433 L434 I493 Y494	V411-T413 VanDerWaalsContact CG1-O 3.26Å; V411-T413 WeakPolarHBondContact CG1-O 3.38Å; V411-L415 HydrophobicContact CG1-CD1 4.1Å; V411-L429 HydrophobicContact CG2-CD2 4.25Å; V411-K432 HydrophobicContact CG2-CB 3.82Å; V411-K432 HydrophobicContact CG2-CD 4.37Å; V411-K432 HydrophobicContact CG2-CG 4.17Å; V411-F433 PolarHBondContact N-O 2.83Å; V411-L434 HydrophobicContact CB-CD2 3.87Å; V411-L434 HydrophobicContact CG1-CD2 4.26Å; V411-L434 HydrophobicContact CG2-CD2 3.74Å; V411-I493 HydrophobicContact CG1-CB 4.49Å; V411-I493 HydrophobicContact CG1-CG1 4.35Å; V411-Y494 HydrophobicContact CG1-CD2 4.4Å; V411-Y494 HydrophobicContact CG1-CE2 4.11Å
412	T	94	Very high	93.5	Very high	70 Å²	70	56.1 Å²	56.1	43%	0.429	37%	0.367	S	S	.	.			trans	-114	-5.9	179	54.8	0	0	0	0	113.4	L410 I493	L410-T412 HydrophobicContact CD2-CG2 3.99Å; L410-T412 HydrophobicContact CG-CG2 3.9Å; L410-T412 PolarHBondContact O-N 2.72Å; T412-I493 WeakPolarHBondContact O-CD1 3.19Å
413	T	92.5	Very high	93.5	Very high	95 Å²	95	56.3 Å²	56.3	58%	0.583	37%	0.367	S	S	*	.	S	Bend	trans	-140.1	154.3	172.6	58.7	0	0	0	0	108.9	V411	V411-T413 VanDerWaalsContact CG1-O 3.26Å; V411-T413 WeakPolarHBondContact CG1-O 3.38Å
414	P	92.3	Very high	93.5	Very high	14 Å²	14	54.1 Å²	54.1	9%	0.091	35%	0.352	C	S	.	.			trans	-55.7	149.8	169.6	-28.8	40.2	0	0	0	112.3	P420 L443 F447 I493 Y494	P414-P420 HydrophobicContact CB-CG 3.91Å; P414-P420 HydrophobicContact CG-CG 4.3Å; P414-L443 HydrophobicContact CG-CD1 4.13Å; P414-L443 HydrophobicContact CG-CD2 4.1Å; P414-L443 HydrophobicContact CG-CG 4.41Å; P414-F447 HydrophobicContact CB-CZ 4.02Å; P414-F447 HydrophobicContact CG-CE2 3.82Å; P414-F447 HydrophobicContact CG-CZ 3.62Å; P414-I493 HydrophobicContact CB-CG2 4.42Å; P414-I493 HydrophobicContact CG-CG2 3.78Å; P414-Y494 WeakPolarHBondContact CA-OH 2.98Å
415	L	90.9	Very high	93.5	Very high	60 Å²	60	49.4 Å²	49.4	31%	0.314	32%	0.319	S	S	.	.	S	Bend	trans	-72.9	135.8	172.3	-77.5	68.1	0	0	0	109.1	V411 P424 E428 L429 Y494	V411-L415 HydrophobicContact CG1-CD1 4.1Å; L415-P424 HydrophobicContact CD1-CG 4.37Å; L415-P424 HydrophobicContact CD2-CB 4.14Å; L415-P424 HydrophobicContact CD2-CG 4.33Å; L415-E428 HydrophobicContact CD2-CB 4.13Å; L415-L429 HydrophobicContact CD1-CD2 3.79Å; L415-L429 HydrophobicContact CD2-CD2 3.88Å; L415-L429 HydrophobicContact CD2-CG 4.41Å; L415-Y494 HydrophobicContact CD1-CE2 3.88Å; L415-Y494 PolarHBondContact N-OH 3.26Å
416	G	86.3	Confident	93.5	Very high	61 Å²	61	48.5 Å²	48.5	63%	0.629	31%	0.314	S	S	*	.	S	Bend	trans	90	179.6	-177.8	0	0	0	0	0	114.1
417	D	80.1	Confident	93.5	Very high	182 Å²	182	51.8 Å²	51.8	97%	0.973	33%	0.33	S	S	*	.	S	Bend	trans	-92.9	7.1	-169.5	-60.6	-35.8	0	0	0	114.2
418	G	84.8	Confident	93.5	Very high	37 Å²	37	55.8 Å²	55.8	38%	0.381	34%	0.339	S	S	.	.	S	Bend	trans	-150.5	177.6	-175.2	0	0	0	0	0	114.3	P420	G418-P420 WeakPolarHBondContact O-CD 3.29Å
419	M	88.5	Confident	93.6	Very high	62 Å²	62	50.5 Å²	50.5	31%	0.305	30%	0.302	S	S	.	.			trans	-63.7	119.2	178.7	-178.7	64.7	-166.8	0	0	109.9	L443 E444 F447 Y513	M419-L443 HydrophobicContact CE-CB 4.09Å; M419-L443 HydrophobicContact CE-CD2 3.91Å; M419-L443 HydrophobicContact CE-CG 4.06Å; M419-L443 HydrophobicContact SD-CD2 4.27Å; M419-L443 HydrophobicContact SD-CG 4.1Å; M419-E444 HydrophobicContact CE-CG 3.83Å; M419-E444 HydrophobicContact CG-CG 4.36Å; M419-E444 HydrophobicContact SD-CG 4.06Å; M419-F447 HydrophobicContact CB-CD2 4.29Å; M419-F447 HydrophobicContact CB-CE2 4.41Å; M419-F447 HydrophobicContact CB-CG 4.5Å; M419-F447 HydrophobicContact SD-CD2 3.77Å; M419-F447 HydrophobicContact SD-CE2 3.67Å; M419-Y513 HydrophobicContact CE-CD1 4.06Å; M419-Y513 HydrophobicContact CE-CE1 3.64Å
420	P	91	Very high	93.7	Very high	20 Å²	20	53.3 Å²	53.3	13%	0.13	31%	0.311	C	S	.	.			trans	-63.9	147	178.6	27.4	-37.5	0	0	0	111	P414 G418 L443 Y494 F512	P414-P420 HydrophobicContact CB-CG 3.91Å; P414-P420 HydrophobicContact CG-CG 4.3Å; G418-P420 WeakPolarHBondContact O-CD 3.29Å; P420-L443 HydrophobicContact CG-CD2 4.34Å; P420-Y494 HydrophobicContact CB-CE1 4.17Å; P420-Y494 HydrophobicContact CG-CE1 3.93Å; P420-F512 HydrophobicContact CB-CZ 3.84Å; P420-F512 HydrophobicContact CG-CE1 4.46Å; P420-F512 HydrophobicContact CG-CZ 3.82Å; P420-F512 WeakPolarHBondContact O-CE1 3.23Å
421	T	90.4	Very high	93.7	Very high	127 Å²	127	54.1 Å²	54.1	78%	0.779	32%	0.321	S	S	*	.	S	Bend	trans	-105.8	-13.6	176.2	53.8	0	0	0	0	112.8
422	N	93.8	Very high	93.7	Very high	88 Å²	88	57 Å²	57	47%	0.471	33%	0.333	S	S	.	.	S	Bend	trans	-146.9	172.8	178.2	63.1	-6	0	0	0	110.7	F512	N422-F512 WeakPolarHBondContact O-CE2 3.38Å; N422-F512 WeakPolarHBondContact O-CZ 3.36Å
423	F	97.6	Very high	93.9	Very high	4 Å²	4	53.7 Å²	53.7	2%	0.018	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-68.2	138.6	170.5	-70.3	-84.3	0	0	0	110.8	P298 L299 N300 Y494 F512 L542	P298-F423 HydrophobicContact CB-CB 4.14Å; P298-F423 WeakPolarHBondContact CB-O 3.26Å; L299-F423 HydrophobicContact CB-CB 3.74Å; L299-F423 HydrophobicContact CB-CD1 4.2Å; L299-F423 HydrophobicContact CB-CG 4.13Å; L299-F423 HydrophobicContact CD2-CD1 4.42Å; N300-F423 HydrophobicContact CB-CD2 3.71Å; N300-F423 HydrophobicContact CB-CE2 3.75Å; N300-F423 HydrophobicContact CB-CG 4.49Å; N300-F423 WeakPolarHBondContact OD1-CD2 3.32Å; F423-Y494 VanDerWaalsContact CE1-O 3.28Å; F423-Y494 WeakPolarHBondContact CE1-O 3.34Å; F423-F512 HydrophobicContact CD1-CD2 4.37Å; F423-F512 HydrophobicContact CD1-CE2 4.45Å; F423-F512 AromaticContact CD2-CD2 3.77Å; F423-F512 HydrophobicContact CD2-CD2 3.77Å; F423-F512 HydrophobicContact CD2-CE2 4.49Å; F423-F512 HydrophobicContact CE1-CD2 4.42Å; F423-F512 HydrophobicContact CE2-CB 4.37Å; F423-F512 AromaticContact CE2-CD2 3.82Å; F423-F512 HydrophobicContact CE2-CD2 3.82Å; F423-F512 WeakPolarHBondContact CE2-O 3.1Å; F423-F512 HydrophobicContact CG-CD2 4.06Å; F423-F512 HydrophobicContact CG-CE2 4.34Å; F423-F512 HydrophobicContact CZ-CD2 4.17Å; F423-F512 WeakPolarHBondContact CZ-O 3.3Å; F423-L542 HydrophobicContact CD1-CD1 4.4Å; F423-L542 HydrophobicContact CE1-CD1 3.57Å; F423-L542 HydrophobicContact CE1-CG 4.01Å; F423-L542 HydrophobicContact CE2-CG 4.26Å; F423-L542 HydrophobicContact CZ-CD1 3.75Å; F423-L542 HydrophobicContact CZ-CG 3.67Å
424	P	97.6	Very high	94.2	Very high	9 Å²	9	49.4 Å²	49.4	6%	0.058	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-59.2	156.3	163.6	-17.7	29.5	0	0	0	110.3	L299 L415 E428 L429 Y494	L299-P424 WeakPolarHBondContact CB-O 3.21Å; L299-P424 PolarHBondContact N-O 3.23Å; L299-P424 VanDerWaalsContact N-O 3.08Å; L415-P424 HydrophobicContact CD1-CG 4.37Å; L415-P424 HydrophobicContact CD2-CB 4.14Å; L415-P424 HydrophobicContact CD2-CG 4.33Å; P424-E428 HydrophobicContact CB-CB 4.33Å; P424-L429 HydrophobicContact CB-CD1 3.82Å; P424-L429 HydrophobicContact CB-CD2 4.34Å; P424-L429 HydrophobicContact CB-CG 3.84Å; P424-L429 HydrophobicContact CG-CD1 4.29Å; P424-L429 HydrophobicContact CG-CG 4.47Å; P424-Y494 VanDerWaalsContact CD-CE1 3.47Å; P424-Y494 HydrophobicContact CG-CD2 4.42Å; P424-Y494 HydrophobicContact CG-CE1 3.84Å; P424-Y494 HydrophobicContact CG-CE2 3.76Å; P424-Y494 WeakPolarHBondContact CG-OH 3.22Å
425	S	98.6	Very high	94.5	Very high	3 Å²	3	48.9 Å²	48.9	2%	0.021	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-75.6	157.8	176.5	66	0	0	0	0	112.3	M295 Q296 Q297 E427 E428 L429	M295-S425 WeakPolarHBondContact O-CB 3.44Å; Q296-S425 VanDerWaalsContact C-CB 3.43Å; Q296-S425 WeakPolarHBondContact O-CB 3.33Å; Q297-S425 VanDerWaalsContact O-CA 3.23Å; Q297-S425 WeakPolarHBondContact O-CA 3.48Å; Q297-S425 WeakPolarHBondContact O-CB 3.19Å; S425-E427 PolarHBondContact O-N 3.2Å; S425-E428 WeakPolarHBondContact CB-OE2 3.14Å; S425-E428 PolarHBondContact N-OE2 3.27Å; S425-E428 PolarHBondContact O-N 2.77Å; S425-E428 VanDerWaalsContact OG-CG 3.32Å; S425-E428 WeakPolarHBondContact OG-CG 3.42Å; S425-E428 PolarHBondContact OG-N 3.45Å; S425-E428 VanDerWaalsContact OG-N 3.13Å; S425-E428 PolarHBondContact OG-OE2 3.49Å; S425-L429 PolarHBondContact O-N 3.35Å
426	P	98.7	Very high	94.9	Very high	0 Å²	0	47 Å²	47	0%	0	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-34.5	168.2	-27	35.1	0	0	0	112.9	M295 Q297 L299 Y302 Y380 P381 L429 K430 Y596	M295-P426 HydrophobicContact CE-CB 3.82Å; M295-P426 HydrophobicContact CE-CG 4.22Å; M295-P426 WeakPolarHBondContact O-CD 3.36Å; Q297-P426 VanDerWaalsContact O-CD 3.29Å; Q297-P426 WeakPolarHBondContact O-CD 3.4Å; L299-P426 HydrophobicContact CD1-CG 4.13Å; Y302-P426 HydrophobicContact CD1-CG 4.46Å; Y302-P426 HydrophobicContact CD2-CG 3.76Å; Y302-P426 HydrophobicContact CE1-CG 4.22Å; Y302-P426 VanDerWaalsContact CE2-CD 3.4Å; Y302-P426 HydrophobicContact CE2-CG 3.49Å; Y302-P426 VanDerWaalsContact CE2-CG 3.49Å; Y302-P426 HydrophobicContact CG-CG 4.25Å; Y380-P426 HydrophobicContact CD1-CB 3.65Å; Y380-P426 WeakPolarHBondContact CD1-O 3.33Å; Y380-P426 HydrophobicContact CE1-CB 4.15Å; Y380-P426 HydrophobicContact CG-CB 4.43Å; P381-P426 WeakPolarHBondContact CD-O 3.5Å; P426-L429 CarbonylContact O-C 3.54Å; P426-L429 PolarHBondContact O-N 3.07Å; P426-K430 PolarHBondContact O-N 2.93Å; P426-Y596 HydrophobicContact CG-CD1 4.05Å; P426-Y596 HydrophobicContact CG-CE1 4.38Å; P426-Y596 HydrophobicContact CG-CG 4.44Å
427	E	98.4	Very high	95.4	Very high	72 Å²	72	44.5 Å²	44.5	34%	0.336	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-46.9	178.4	-167.1	63.5	-154.4	0	0	112.2	M295 Q296 Y380 S425 L429 K430	M295-E427 HydrophobicContact CB-CB 4.32Å; M295-E427 VanDerWaalsContact O-CB 3.3Å; M295-E427 WeakPolarHBondContact O-CB 3.28Å; M295-E427 PolarHBondContact O-N 3.16Å; Q296-E427 HydrophobicContact CG-CB 4.43Å; Y380-E427 PolarHBondContact OH-OE2 3.38Å; S425-E427 PolarHBondContact O-N 3.2Å; E427-L429 PolarHBondContact O-N 2.9Å; E427-K430 VanDerWaalsContact CD-CE 3.44Å; E427-K430 WeakPolarHBondContact O-CG 3.22Å; E427-K430 PolarHBondContact O-N 3.16Å; E427-K430 VanDerWaalsContact OE1-CE 3.31Å; E427-K430 WeakPolarHBondContact OE1-CE 3.25Å; E427-K430 IonicContact OE1-NZ 3.35Å; E427-K430 PolarHBondContact OE1-NZ 2.93Å; E427-K430 WeakPolarHBondContact OE2-CE 3.38Å; E427-K430 IonicContact OE2-NZ 3.45Å; E427-K430 PolarHBondContact OE2-NZ 3.37Å
428	E	98.3	Very high	96	Very high	119 Å²	119	38.4 Å²	38.4	56%	0.556	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-25.6	176.6	-71.3	165.2	115.7	0	0	113.1	L415 P424 S425	L415-E428 HydrophobicContact CD2-CB 4.13Å; P424-E428 HydrophobicContact CB-CB 4.33Å; S425-E428 WeakPolarHBondContact CB-OE2 3.14Å; S425-E428 PolarHBondContact N-OE2 3.27Å; S425-E428 PolarHBondContact O-N 2.77Å; S425-E428 VanDerWaalsContact OG-CG 3.32Å; S425-E428 WeakPolarHBondContact OG-CG 3.42Å; S425-E428 PolarHBondContact OG-N 3.45Å; S425-E428 VanDerWaalsContact OG-N 3.13Å; S425-E428 PolarHBondContact OG-OE2 3.49Å
429	L	98.4	Very high	96.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	15.3	-177.1	-70.4	169.7	0	0	0	113.4	P381 V411 L415 P424 S425 P426 E427 G431 K432 L434	P381-L429 HydrophobicContact CB-CB 3.79Å; P381-L429 WeakPolarHBondContact CB-O 3.23Å; P381-L429 WeakPolarHBondContact CD-O 3.29Å; P381-L429 HydrophobicContact CG-CB 3.57Å; P381-L429 HydrophobicContact CG-CD1 4.33Å; V411-L429 HydrophobicContact CG2-CD2 4.25Å; L415-L429 HydrophobicContact CD1-CD2 3.79Å; L415-L429 HydrophobicContact CD2-CD2 3.88Å; L415-L429 HydrophobicContact CD2-CG 4.41Å; P424-L429 HydrophobicContact CB-CD1 3.82Å; P424-L429 HydrophobicContact CB-CD2 4.34Å; P424-L429 HydrophobicContact CB-CG 3.84Å; P424-L429 HydrophobicContact CG-CD1 4.29Å; P424-L429 HydrophobicContact CG-CG 4.47Å; S425-L429 PolarHBondContact O-N 3.35Å; P426-L429 CarbonylContact O-C 3.54Å; P426-L429 PolarHBondContact O-N 3.07Å; E427-L429 PolarHBondContact O-N 2.9Å; L429-G431 PolarHBondContact O-N 2.84Å; L429-K432 HydrophobicContact CB-CB 4.48Å; L429-K432 HydrophobicContact CD2-CB 4.34Å; L429-K432 HydrophobicContact CD2-CG 4.43Å; L429-K432 WeakPolarHBondContact O-CB 3.38Å; L429-K432 WeakPolarHBondContact O-CG 3.48Å; L429-K432 PolarHBondContact O-N 3.46Å; L429-L434 HydrophobicContact CD1-CD1 4.19Å; L429-L434 HydrophobicContact CD2-CD2 4.22Å
430	K	98.5	Very high	96.3	Very high	78 Å²	78	36.4 Å²	36.4	34%	0.339	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	133.4	175.3	-83.8	179.9	169.7	173.2	0	111.9	D379 Y380 P426 E427 K432	D379-K430 HydrophobicContact CB-CD 4.43Å; D379-K430 HydrophobicContact CB-CG 4.33Å; D379-K430 CarbonylContact O-C 3.59Å; D379-K430 VanDerWaalsContact O-CA 3.28Å; D379-K430 WeakPolarHBondContact O-CA 3.16Å; Y380-K430 HydrophobicContact CD1-CG 4.12Å; Y380-K430 HydrophobicContact CE1-CD 4.47Å; Y380-K430 VanDerWaalsContact CE1-CE 3.43Å; Y380-K430 HydrophobicContact CE1-CG 4.23Å; P426-K430 PolarHBondContact O-N 2.93Å; E427-K430 VanDerWaalsContact CD-CE 3.44Å; E427-K430 WeakPolarHBondContact O-CG 3.22Å; E427-K430 PolarHBondContact O-N 3.16Å; E427-K430 VanDerWaalsContact OE1-CE 3.31Å; E427-K430 WeakPolarHBondContact OE1-CE 3.25Å; E427-K430 IonicContact OE1-NZ 3.35Å; E427-K430 PolarHBondContact OE1-NZ 2.93Å; E427-K430 WeakPolarHBondContact OE2-CE 3.38Å; E427-K430 IonicContact OE2-NZ 3.45Å; E427-K430 PolarHBondContact OE2-NZ 3.37Å; K430-K432 PolarHBondContact O-N 2.78Å
431	G	98.4	Very high	96	Very high	26 Å²	26	39.8 Å²	39.8	27%	0.268	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.5	15	-178.8	0	0	0	0	0	114.4	F375 D379 A409 L429	F375-G431 WeakPolarHBondContact CE2-O 3.49Å; F375-G431 WeakPolarHBondContact CZ-O 3.38Å; D379-G431 PolarHBondContact O-N 2.6Å; A409-G431 WeakPolarHBondContact CB-O 3.46Å; L429-G431 PolarHBondContact O-N 2.84Å
432	K	98.8	Very high	95.9	Very high	69 Å²	69	38.9 Å²	38.9	30%	0.3	19%	0.193	S	C	.	.			trans	-106.2	150.9	-176.8	-58.8	-57.1	-172.4	-179.3	0	114.1	P381 V382 S408 A409 V411 L429 K430	P381-K432 VanDerWaalsContact CA-O 3.31Å; P381-K432 WeakPolarHBondContact CA-O 3.06Å; V382-K432 PolarHBondContact N-O 3.21Å; S408-K432 PolarHBondContact O-NZ 2.9Å; A409-K432 CarbonylContact O-C 3.42Å; A409-K432 VanDerWaalsContact O-CA 3.27Å; A409-K432 WeakPolarHBondContact O-CA 3.35Å; A409-K432 WeakPolarHBondContact O-CD 3.36Å; V411-K432 HydrophobicContact CG2-CB 3.82Å; V411-K432 HydrophobicContact CG2-CD 4.37Å; V411-K432 HydrophobicContact CG2-CG 4.17Å; L429-K432 HydrophobicContact CB-CB 4.48Å; L429-K432 HydrophobicContact CD2-CB 4.34Å; L429-K432 HydrophobicContact CD2-CG 4.43Å; L429-K432 WeakPolarHBondContact O-CB 3.38Å; L429-K432 WeakPolarHBondContact O-CG 3.48Å; L429-K432 PolarHBondContact O-N 3.46Å; K430-K432 PolarHBondContact O-N 2.78Å
433	F	98.9	Very high	95.5	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.009	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	131.6	171.4	-63	-79.1	0	0	0	110.6	I370 A374 F375 V382 L384 L406 A409 L410 V411	I370-F433 HydrophobicContact CG2-CD1 4.32Å; I370-F433 HydrophobicContact CG2-CE1 3.62Å; I370-F433 HydrophobicContact CG2-CZ 4.31Å; A374-F433 HydrophobicContact CB-CE1 3.47Å; A374-F433 VanDerWaalsContact CB-CE1 3.47Å; A374-F433 HydrophobicContact CB-CZ 3.51Å; F375-F433 HydrophobicContact CD2-CZ 4.37Å; F375-F433 HydrophobicContact CE2-CD2 4.3Å; F375-F433 HydrophobicContact CE2-CE1 4.16Å; F375-F433 AromaticContact CE2-CE2 3.5Å; F375-F433 HydrophobicContact CE2-CE2 3.5Å; F375-F433 VanDerWaalsContact CE2-CE2 3.5Å; F375-F433 AromaticContact CE2-CZ 3.41Å; F375-F433 HydrophobicContact CE2-CZ 3.41Å; F375-F433 VanDerWaalsContact CE2-CZ 3.41Å; F375-F433 HydrophobicContact CZ-CD1 4.44Å; F375-F433 HydrophobicContact CZ-CD2 4.33Å; F375-F433 HydrophobicContact CZ-CE1 4.02Å; F375-F433 AromaticContact CZ-CE2 3.89Å; F375-F433 HydrophobicContact CZ-CE2 3.89Å; F375-F433 AromaticContact CZ-CZ 3.72Å; F375-F433 HydrophobicContact CZ-CZ 3.72Å; V382-F433 HydrophobicContact CB-CD1 3.92Å; V382-F433 HydrophobicContact CB-CE1 4.03Å; V382-F433 HydrophobicContact CG1-CD1 4.29Å; V382-F433 HydrophobicContact CG1-CE1 4.37Å; V382-F433 WeakPolarHBondContact O-CA 3.31Å; L384-F433 HydrophobicContact CD1-CD1 4.41Å; L384-F433 HydrophobicContact CD2-CD1 4.37Å; L384-F433 HydrophobicContact CG-CD1 4.45Å; L406-F433 HydrophobicContact CB-CD2 4.19Å; L406-F433 HydrophobicContact CD1-CB 4.07Å; L406-F433 HydrophobicContact CD1-CD2 4.11Å; L406-F433 HydrophobicContact CD1-CG 4.03Å; L406-F433 HydrophobicContact CD2-CD2 3.91Å; L406-F433 HydrophobicContact CD2-CE2 3.77Å; L406-F433 HydrophobicContact CD2-CG 4.35Å; L406-F433 HydrophobicContact CD2-CZ 4.12Å; L406-F433 HydrophobicContact CG-CD2 4.29Å; A409-F433 HydrophobicContact CB-CD2 3.71Å; A409-F433 HydrophobicContact CB-CE2 3.87Å; A409-F433 PolarHBondContact O-N 3.16Å; L410-F433 HydrophobicContact CD1-CB 4.29Å; V411-F433 PolarHBondContact N-O 2.83Å
434	L	98.8	Very high	95	Very high	4 Å²	4	38 Å²	38	2%	0.021	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	137.9	173.6	-58.3	-178.9	0	0	0	109.6	L299 V382 I383 L384 V411 L429 Y494	L299-L434 HydrophobicContact CD2-CD1 3.77Å; V382-L434 PolarHBondContact O-N 2.83Å; I383-L434 CarbonylContact C-O 3.55Å; I383-L434 WeakPolarHBondContact CA-O 3.31Å; I383-L434 HydrophobicContact CG1-CB 4.28Å; I383-L434 HydrophobicContact CG1-CD1 4.23Å; L384-L434 PolarHBondContact N-O 2.86Å; V411-L434 HydrophobicContact CB-CD2 3.87Å; V411-L434 HydrophobicContact CG1-CD2 4.26Å; V411-L434 HydrophobicContact CG2-CD2 3.74Å; L429-L434 HydrophobicContact CD1-CD1 4.19Å; L429-L434 HydrophobicContact CD2-CD2 4.22Å; L434-Y494 HydrophobicContact CD2-CD2 4.09Å
435	I	98.7	Very high	94.3	Very high	3 Å²	3	39.3 Å²	39.3	2%	0.015	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	122.3	174.5	-52.9	-53.9	0	0	0	109.5	L384 L386 M402 L410 M491 V492	L384-I435 HydrophobicContact CB-CD1 3.92Å; L384-I435 HydrophobicContact CD1-CD1 3.84Å; L384-I435 HydrophobicContact CG-CD1 4.18Å; L386-I435 HydrophobicContact CD1-CG2 3.56Å; L386-I435 HydrophobicContact CG-CG2 4.03Å; M402-I435 HydrophobicContact SD-CD1 3.65Å; M402-I435 HydrophobicContact SD-CG1 4.39Å; L410-I435 HydrophobicContact CD1-CD1 3.75Å; L410-I435 HydrophobicContact CD1-CG1 3.69Å; I435-M491 HydrophobicContact CB-CB 4.49Å; I435-M491 HydrophobicContact CG1-CB 4.14Å; I435-V492 HydrophobicContact CB-CG2 4.47Å; I435-V492 HydrophobicContact CG2-CG2 4.02Å
436	K	98.3	Very high	93.4	Very high	22 Å²	22	42.6 Å²	42.6	10%	0.096	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	121.5	165.8	177.5	-80.7	-169.6	-177.9	0	108.4	I383 L384 L386 C495 S497 M515 S517	I383-K436 HydrophobicContact CG2-CB 3.96Å; L384-K436 PolarHBondContact O-N 3.23Å; L386-K436 PolarHBondContact N-O 3.08Å; K436-C495 WeakPolarHBondContact CA-O 2.96Å; K436-C495 HydrophobicContact CB-CB 3.64Å; K436-C495 HydrophobicContact CG-CB 4.08Å; K436-S497 WeakPolarHBondContact CD-OG 3.29Å; K436-S497 WeakPolarHBondContact CE-OG 3.36Å; K436-S497 PolarHBondContact NZ-OG 3.32Å; K436-M515 HydrophobicContact CD-SD 4.48Å; K436-M515 HydrophobicContact CG-SD 3.82Å; K436-S517 PolarHBondContact NZ-OG 3.46Å
437	G	96.3	Very high	92.4	Very high	8 Å²	8	46.6 Å²	46.6	8%	0.082	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.1	-170	-178.1	0	0	0	0	0	112.9	C495 S497	G437-C495 PolarHBondContact N-O 3.03Å; G437-S497 WeakPolarHBondContact O-CB 3.35Å; G437-S497 PolarHBondContact O-N 3.02Å; G437-S497 PolarHBondContact O-OG 3.48Å
438	K	93.2	Very high	91.3	Very high	53 Å²	53	45.8 Å²	45.8	23%	0.23	24%	0.244	C	C	.	.			trans	-85	153.7	173.5	-65.8	-174.4	179.5	-178.1	0	110.7	V459 T460 L484	K438-V459 HydrophobicContact CD-CB 4.43Å; K438-V459 HydrophobicContact CD-CG2 3.87Å; K438-T460 PolarHBondContact NZ-O 2.95Å; K438-L484 HydrophobicContact CB-CD2 3.92Å; K438-L484 WeakPolarHBondContact O-CD2 3.5Å
439	R	91.9	Very high	89.1	Confident	15 Å²	15	50 Å²	50	6%	0.057	26%	0.264	C	S	.	.			trans	-135	138	176.1	-170.4	-178.4	-179.7	89.1	1.9	109.4	N441 S446 S489 D490 V492 K496	R439-N441 WeakPolarHBondContact CD-O 3.33Å; R439-N441 VanDerWaalsContact CG-O 3.27Å; R439-N441 WeakPolarHBondContact CG-O 3.39Å; R439-N441 PolarHBondContact NE-O 3.23Å; R439-S446 PolarHBondContact NH2-OG 3.48Å; R439-S489 WeakPolarHBondContact CA-OG 3.36Å; R439-S489 WeakPolarHBondContact CG-OG 3.48Å; R439-S489 PolarHBondContact NH1-O 3.18Å; R439-D490 PolarHBondContact NH1-O 2.87Å; R439-V492 HydrophobicContact CB-CB 4.41Å; R439-V492 WeakPolarHBondContact CD-O 3.32Å; R439-V492 PolarHBondContact NH1-O 3.35Å; R439-K496 HydrophobicContact CB-CD 3.97Å; R439-K496 HydrophobicContact CB-CG 4.01Å
440	L	88.6	Confident	87	Confident	43 Å²	43	54.4 Å²	54.4	23%	0.225	30%	0.3	C	S	.	.	S	Bend	trans	-63.2	-47.4	179.9	-66.4	177.2	0	0	0	111.8	N456 V459 L484 K486 S489	L440-N456 WeakPolarHBondContact CD2-O 3.42Å; L440-V459 HydrophobicContact CD2-CG1 3.82Å; L440-L484 HydrophobicContact CD2-CB 3.86Å; L440-L484 HydrophobicContact CD2-CD2 4.03Å; L440-L484 HydrophobicContact CD2-CG 4.28Å; L440-L484 HydrophobicContact CG-CD2 4.11Å; L440-L484 HydrophobicContact CG-CG 4.48Å; L440-K486 HydrophobicContact CD1-CB 4.46Å; L440-S489 PolarHBondContact N-OG 2.85Å
441	N	84.6	Confident	84.3	Confident	91 Å²	91	53.9 Å²	53.9	49%	0.487	31%	0.31	S	S	.	.	S	Bend	trans	-115.2	166.4	-174.8	-66.7	-39.9	0	0	0	112.2	R439 A445	R439-N441 WeakPolarHBondContact CD-O 3.33Å; R439-N441 VanDerWaalsContact CG-O 3.27Å; R439-N441 WeakPolarHBondContact CG-O 3.39Å; R439-N441 PolarHBondContact NE-O 3.23Å; N441-A445 HydrophobicContact CB-CB 4.19Å
442	K	86.8	Confident	81.6	Confident	107 Å²	107	61.8 Å²	61.8	47%	0.465	34%	0.34	S	S	.	.			trans	-65.2	154.4	165.1	-77.8	-158.6	172.5	-163.4	0	110.7	E444 A445	K442-E444 VanDerWaalsContact C-N 3.28Å; K442-E444 VanDerWaalsContact CB-OE2 3.31Å; K442-E444 WeakPolarHBondContact CB-OE2 3.35Å; K442-E444 PolarHBondContact O-N 2.79Å; K442-A445 WeakPolarHBondContact O-CB 3.33Å; K442-A445 PolarHBondContact O-N 2.53Å
443	L	87	Confident	79	Confident	1 Å²	1	67.9 Å²	67.9	1%	0.005	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-68.7	-32.1	-175	-178.8	61.8	0	0	0	111.4	P414 M419 P420 A445 S446 I493 Y513	P414-L443 HydrophobicContact CG-CD1 4.13Å; P414-L443 HydrophobicContact CG-CD2 4.1Å; P414-L443 HydrophobicContact CG-CG 4.41Å; M419-L443 HydrophobicContact CE-CB 4.09Å; M419-L443 HydrophobicContact CE-CD2 3.91Å; M419-L443 HydrophobicContact CE-CG 4.06Å; M419-L443 HydrophobicContact SD-CD2 4.27Å; M419-L443 HydrophobicContact SD-CG 4.1Å; P420-L443 HydrophobicContact CG-CD2 4.34Å; L443-A445 PolarHBondContact O-N 3.25Å; L443-S446 WeakPolarHBondContact O-CB 3.4Å; L443-S446 PolarHBondContact O-N 2.89Å; L443-I493 HydrophobicContact CD1-CD1 4.23Å; L443-I493 HydrophobicContact CD1-CG2 4.38Å; L443-I493 HydrophobicContact CD2-CG2 4.29Å; L443-Y513 HydrophobicContact CB-CD1 4.26Å; L443-Y513 HydrophobicContact CB-CD2 4.25Å; L443-Y513 HydrophobicContact CB-CE1 3.73Å; L443-Y513 HydrophobicContact CB-CE2 3.77Å; L443-Y513 VanDerWaalsContact CB-CZ 3.5Å; L443-Y513 HydrophobicContact CD2-CD1 3.96Å; L443-Y513 HydrophobicContact CD2-CD2 4.48Å; L443-Y513 HydrophobicContact CD2-CE1 4.23Å; L443-Y513 HydrophobicContact CD2-CG 4.12Å; L443-Y513 PolarHBondContact N-OH 3.46Å
444	E	85.7	Confident	76.3	Confident	72 Å²	72	71.1 Å²	71.1	34%	0.336	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-58.1	-29.9	177.6	-61.6	81.1	175.9	0	0	112.3	M419 K442 S446 F447 A448 Y513	M419-E444 HydrophobicContact CE-CG 3.83Å; M419-E444 HydrophobicContact CG-CG 4.36Å; M419-E444 HydrophobicContact SD-CG 4.06Å; K442-E444 VanDerWaalsContact C-N 3.28Å; K442-E444 VanDerWaalsContact CB-OE2 3.31Å; K442-E444 WeakPolarHBondContact CB-OE2 3.35Å; K442-E444 PolarHBondContact O-N 2.79Å; E444-S446 PolarHBondContact O-N 3.42Å; E444-F447 PolarHBondContact O-N 3.49Å; E444-A448 PolarHBondContact O-N 3.3Å; E444-Y513 PolarHBondContact OE2-OH 2.96Å
445	A	83.5	Confident	73.8	Confident	37 Å²	37	77.7 Å²	77.7	31%	0.306	43%	0.432	S	S	.	.	G	3₁₀ helix	trans	-62.7	-23	177.3	0	0	0	0	0	112.8	N441 K442 L443 F447	N441-A445 HydrophobicContact CB-CB 4.19Å; K442-A445 WeakPolarHBondContact O-CB 3.33Å; K442-A445 PolarHBondContact O-N 2.53Å; L443-A445 PolarHBondContact O-N 3.25Å; A445-F447 PolarHBondContact O-N 3.23Å
446	S	79.8	Confident	71.7	Confident	72 Å²	72	82.6 Å²	82.6	50%	0.503	46%	0.458	S	S	.	.	G	3₁₀ helix	trans	-74.9	-9.9	175.1	-60.3	0	0	0	0	113.7	R439 L443 E444	R439-S446 PolarHBondContact NH2-OG 3.48Å; L443-S446 WeakPolarHBondContact O-CB 3.4Å; L443-S446 PolarHBondContact O-N 2.89Å; E444-S446 PolarHBondContact O-N 3.42Å
447	F	77.7	Confident	69.9	Low	84 Å²	84	84.3 Å²	84.3	37%	0.368	47%	0.471	S	S	.	.	G	3₁₀ helix	trans	-111.7	-2.9	179.7	-66.3	-88	0	0	0	113.6	P414 M419 E444 A445	P414-F447 HydrophobicContact CB-CZ 4.02Å; P414-F447 HydrophobicContact CG-CE2 3.82Å; P414-F447 HydrophobicContact CG-CZ 3.62Å; M419-F447 HydrophobicContact CB-CD2 4.29Å; M419-F447 HydrophobicContact CB-CE2 4.41Å; M419-F447 HydrophobicContact CB-CG 4.5Å; M419-F447 HydrophobicContact SD-CD2 3.77Å; M419-F447 HydrophobicContact SD-CE2 3.67Å; E444-F447 PolarHBondContact O-N 3.49Å; A445-F447 PolarHBondContact O-N 3.23Å
448	A	75.5	Confident	68.4	Low	55 Å²	55	86.5 Å²	86.5	46%	0.455	48%	0.481	S	S	.	.			trans	-84.6	126.9	176.6	0	0	0	0	0	110.4	E444 A450	E444-A448 PolarHBondContact O-N 3.3Å; A448-A450 PolarHBondContact O-N 2.83Å
449	E	51.5	Low	67.1	Low	209 Å²	209	85 Å²	85	98%	0.977	48%	0.476	S	S	*	.	S	Bend	trans	-66.6	-2	179.3	-75.8	-171	155.9	0	0	114.5
450	A	54.1	Low	65.5	Low	92 Å²	92	87.9 Å²	87.9	76%	0.76	50%	0.495	S	S	*	.			trans	-153.6	97.2	170.2	0	0	0	0	0	109.8	A448	A448-A450 PolarHBondContact O-N 2.83Å
451	A	43.3	Very low	63.6	Low	67 Å²	67	88.7 Å²	88.7	55%	0.554	50%	0.498	S	S	*	.			trans	-107.2	112.5	160.3	0	0	0	0	0	107.5	E453	A451-E453 PolarHBondContact O-N 3.34Å
452	E	40.9	Very low	62	Low	191 Å²	191	87.5 Å²	87.5	89%	0.893	49%	0.489	S	S	*	.			trans	-48.7	134	166.4	-71.4	178.3	151.6	0	0	109.2	A454	E452-A454 PolarHBondContact O-N 3.14Å
453	E	43.2	Very low	59.7	Low	197 Å²	197	88.4 Å²	88.4	92%	0.921	50%	0.495	S	S	*	.			trans	-62.3	81.4	171.5	-71.2	-176.2	156.7	0	0	109.7	A451 D455	A451-E453 PolarHBondContact O-N 3.34Å; E453-D455 VanDerWaalsContact C-N 3.33Å; E453-D455 PolarHBondContact O-N 2.91Å; E453-D455 VanDerWaalsContact O-N 3.09Å
454	A	44.1	Very low	57.5	Low	71 Å²	71	93.1 Å²	93.1	59%	0.587	52%	0.518	S	S	*	.			trans	-73.4	95.9	159.6	0	0	0	0	0	106.8	E452 N456	E452-A454 PolarHBondContact O-N 3.14Å; A454-N456 PolarHBondContact O-N 3.37Å
455	D	45.3	Very low	55.1	Low	142 Å²	142	90.9 Å²	90.9	76%	0.759	51%	0.51	S	S	*	.			trans	-65.7	55.8	173.7	-171.3	25	0	0	0	111.6	E453 T457	E453-D455 VanDerWaalsContact C-N 3.33Å; E453-D455 PolarHBondContact O-N 2.91Å; E453-D455 VanDerWaalsContact O-N 3.09Å; D455-T457 PolarHBondContact O-N 3.02Å
456	N	54.8	Low	52.6	Low	105 Å²	105	92.2 Å²	92.2	56%	0.561	52%	0.517	S	S	*	.			trans	-98.2	87.9	177.7	-140.8	-9.7	0	0	0	107.6	L440 A454 D458	L440-N456 WeakPolarHBondContact CD2-O 3.42Å; A454-N456 PolarHBondContact O-N 3.37Å; N456-D458 PolarHBondContact O-N 2.62Å
457	T	59.8	Low	50.3	Low	59 Å²	59	96.4 Å²	96.4	36%	0.362	53%	0.533	S	S	.	.			trans	-79.8	-1.1	177.6	49.3	0	0	0	0	113.1	D455 K483 L484	D455-T457 PolarHBondContact O-N 3.02Å; T457-K483 WeakPolarHBondContact O-CA 3.26Å; T457-L484 PolarHBondContact O-N 2.94Å
458	D	65	Low	48.1	Very low	54 Å²	54	99.7 Å²	99.7	29%	0.289	55%	0.55	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-90.9	126.6	-178.8	-71.4	-22	0	0	0	111.2	N456 K481	N456-D458 PolarHBondContact O-N 2.62Å; D458-K481 HydrophobicContact CB-CB 4.45Å; D458-K481 HydrophobicContact CB-CD 4.18Å; D458-K481 WeakPolarHBondContact OD2-CD 3.23Å; D458-K481 IonicContact OD2-NZ 3.39Å; D458-K481 PolarHBondContact OD2-NZ 2.84Å
459	V	66.3	Low	46.3	Very low	20 Å²	20	102.3 Å²	102.3	12%	0.121	57%	0.571	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-118.1	145.6	162.7	-69	0	0	0	0	109	K438 L440 E461 K481 L482 L484	K438-V459 HydrophobicContact CD-CB 4.43Å; K438-V459 HydrophobicContact CD-CG2 3.87Å; L440-V459 HydrophobicContact CD2-CG1 3.82Å; V459-E461 PolarHBondContact O-N 2.82Å; V459-K481 CarbonylContact O-C 3.51Å; V459-L482 HydrophobicContact CG2-CB 3.92Å; V459-L482 WeakPolarHBondContact CG2-O 3.13Å; V459-L482 PolarHBondContact N-O 2.75Å; V459-L482 PolarHBondContact O-N 2.87Å; V459-L482 VanDerWaalsContact O-O 3.08Å; V459-L484 HydrophobicContact CG1-CB 4.38Å; V459-L484 HydrophobicContact CG1-CD2 4.09Å; V459-L484 HydrophobicContact CG2-CB 3.88Å; V459-L484 HydrophobicContact CG2-CD2 4.39Å
460	T	58.1	Low	45.4	Very low	76 Å²	76	98 Å²	98	47%	0.466	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-66.9	130	176.5	44.2	0	0	0	0	110.1	K438 E462	K438-T460 PolarHBondContact NZ-O 2.95Å; T460-E462 PolarHBondContact O-N 3.24Å
461	E	48.3	Very low	44.4	Very low	60 Å²	60	102 Å²	102	28%	0.28	56%	0.564	S	S	.	*	P	Polyproline II helix	trans	-64.2	125	162.6	-159.7	161.1	-119.9	0	0	106.9	V459 K480 L482	V459-E461 PolarHBondContact O-N 2.82Å; E461-K480 WeakPolarHBondContact CA-O 3.25Å; E461-K480 HydrophobicContact CB-CB 3.94Å; E461-K480 WeakPolarHBondContact CB-O 3.49Å; E461-K480 PolarHBondContact N-O 2.85Å; E461-K480 WeakPolarHBondContact OE2-CB 3.49Å; E461-K480 WeakPolarHBondContact OE2-CD 3.17Å; E461-L482 HydrophobicContact CB-CD1 3.86Å; E461-L482 HydrophobicContact CB-CG 4.08Å; E461-L482 HydrophobicContact CG-CD1 3.53Å; E461-L482 HydrophobicContact CG-CG 4Å; E461-L482 WeakPolarHBondContact OE1-CD1 3.42Å; E461-L482 WeakPolarHBondContact OE1-CG 3.39Å
462	E	51.3	Low	43.9	Very low	66 Å²	66	106.3 Å²	106.3	31%	0.308	57%	0.57	S	S	.	*	P	Polyproline II helix	trans	-94.1	120.5	176.5	-66.6	-173.5	-169.1	0	0	104.7	T460 E464 H499	T460-E462 PolarHBondContact O-N 3.24Å; E462-E464 PolarHBondContact O-N 2.99Å; E462-H499 VanDerWaalsContact CD-N 3.31Å; E462-H499 HydrophobicContact CG-CB 4.35Å; E462-H499 PolarHBondContact OE1-N 2.69Å; E462-H499 WeakPolarHBondContact OE2-CA 3.25Å; E462-H499 PolarHBondContact OE2-N 2.73Å; E462-H499 IonicContact OE2-ND1 2.67Å
463	E	39.4	Very low	43.4	Very low	126 Å²	126	103.1 Å²	103.1	59%	0.589	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-63.1	116.5	155.6	-68.8	-172.5	-173.6	0	0	105.8	S465 S466	E463-S465 PolarHBondContact O-N 3.41Å; E463-S466 PolarHBondContact OE2-OG 2.89Å
464	E	39.7	Very low	43.1	Very low	101 Å²	101	98.6 Å²	98.6	47%	0.472	56%	0.562	S	S	.	*	P	Polyproline II helix	trans	-49.2	116.6	170.3	-65.6	-155.5	134.4	0	0	108.5	E462 S466 Y546	E462-E464 PolarHBondContact O-N 2.99Å; E464-S466 PolarHBondContact O-N 3.04Å; E464-Y546 WeakPolarHBondContact CB-OH 3.48Å; E464-Y546 VanDerWaalsContact CD-CZ 3.45Å; E464-Y546 PolarHBondContact OE1-OH 2.94Å; E464-Y546 WeakPolarHBondContact OE2-CE2 3.41Å; E464-Y546 PolarHBondContact OE2-OH 3.22Å
465	S	34.8	Very low	42.5	Very low	25 Å²	25	103.8 Å²	103.8	18%	0.175	57%	0.574	C	S	.	*			trans	-29.3	91.7	-159.4	63.2	0	0	0	0	114.8	E463 N467 K522	E463-S465 PolarHBondContact O-N 3.41Å; S465-N467 PolarHBondContact O-N 2.93Å; S465-K522 VanDerWaalsContact CB-NZ 3.29Å; S465-K522 WeakPolarHBondContact OG-CD 3.3Å
466	S	32.3	Very low	42.2	Very low	64 Å²	64	107 Å²	107	45%	0.448	58%	0.582	S	S	.	*			trans	-90.3	69.2	-176.1	45.6	0	0	0	0	109.7	E463 E464	E463-S466 PolarHBondContact OE2-OG 2.89Å; E464-S466 PolarHBondContact O-N 3.04Å
467	N	31.6	Very low	41.3	Very low	160 Å²	160	107.4 Å²	107.4	86%	0.856	59%	0.588	S	S	*	*			trans	-115.2	70	163.1	-75.8	-4.7	0	0	0	108.6	S465	S465-N467 PolarHBondContact O-N 2.93Å
468	E	32.1	Very low	40.4	Very low	154 Å²	154	109.8 Å²	109.8	72%	0.72	61%	0.607	S	S	*	*			trans	-66.2	132.9	149.5	-74.9	-176.3	-174.1	0	0	106.9	D470 K519	E468-D470 VanDerWaalsContact C-N 3.26Å; E468-D470 PolarHBondContact O-N 3.12Å; E468-K519 IonicContact OE1-NZ 2.96Å; E468-K519 PolarHBondContact OE1-NZ 2.98Å
469	A	37.1	Very low	39.6	Very low	109 Å²	109	115.2 Å²	115.2	90%	0.901	63%	0.628	S	S	*	*			trans	-63.9	89.4	175.7	0	0	0	0	0	109.1
470	D	32.8	Very low	39.1	Very low	120 Å²	120	121.3 Å²	121.3	64%	0.642	65%	0.653	S	S	*	*			trans	-126.8	109	162.5	-141.7	19	0	0	0	106.9	E468 K472	E468-D470 VanDerWaalsContact C-N 3.26Å; E468-D470 PolarHBondContact O-N 3.12Å; D470-K472 PolarHBondContact O-N 3.18Å
471	D	33.3	Very low	39.3	Very low	175 Å²	175	124.2 Å²	124.2	94%	0.936	66%	0.659	S	S	*	*			trans	-72.3	67.5	-174.6	-145.1	1.6	0	0	0	109.5
472	K	31.9	Very low	40.3	Very low	158 Å²	158	123 Å²	123	69%	0.687	65%	0.654	S	S	*	*			trans	-121.3	136.4	174.5	-73.8	-176	-175.6	163.4	0	110.9	D470 A474	D470-K472 PolarHBondContact O-N 3.18Å; K472-A474 PolarHBondContact O-N 2.89Å
473	P	31.3	Very low	41.8	Very low	123 Å²	123	125.8 Å²	125.8	80%	0.799	67%	0.665	S	S	*	*			trans	-63.9	134.2	-175.7	19.3	-23.3	0	0	0	111	E475	P473-E475 PolarHBondContact O-N 3.29Å
474	A	35.3	Very low	44.3	Very low	103 Å²	103	120.1 Å²	120.1	85%	0.851	64%	0.639	S	S	*	*			trans	-55.5	98.1	-179.1	0	0	0	0	0	112.5	K472	K472-A474 PolarHBondContact O-N 2.89Å
475	E	32.4	Very low	46.8	Very low	180 Å²	180	115.5 Å²	115.5	84%	0.841	62%	0.618	S	S	*	*			trans	-73.2	126.3	153.7	-83.8	-170.6	157.3	0	0	108.3	P473 T477	P473-E475 PolarHBondContact O-N 3.29Å; E475-T477 VanDerWaalsContact C-N 3.33Å; E475-T477 PolarHBondContact O-N 2.87Å
476	K	38.4	Very low	49.5	Very low	210 Å²	210	120.5 Å²	120.5	91%	0.913	64%	0.637	S	S	*	*			trans	-63	87.8	177.1	-75.3	175.8	174.7	174.7	0	110.4	S478	K476-S478 PolarHBondContact O-N 2.8Å
477	T	37.1	Very low	52.5	Low	112 Å²	112	121.5 Å²	121.5	69%	0.687	64%	0.637	S	S	*	*			trans	-66	120.5	158.4	37.3	0	0	0	0	108.2	E475 K479	E475-T477 VanDerWaalsContact C-N 3.33Å; E475-T477 PolarHBondContact O-N 2.87Å; T477-K479 PolarHBondContact O-N 3.44Å
478	S	39.3	Very low	55.5	Low	109 Å²	109	114.1 Å²	114.1	76%	0.762	60%	0.598	S	S	*	*			trans	-61.6	117.6	177.3	58.2	0	0	0	0	109.5	K476 K480	K476-S478 PolarHBondContact O-N 2.8Å; S478-K480 PolarHBondContact O-N 3.49Å
479	K	50	Low	58.4	Low	168 Å²	168	106.9 Å²	106.9	73%	0.73	56%	0.564	S	S	*	*			trans	-52.5	115.8	172.7	-68.4	-177	178.1	-175.8	0	109	T477 K481	T477-K479 PolarHBondContact O-N 3.44Å; K479-K481 PolarHBondContact O-N 2.93Å
480	K	54.9	Low	61.2	Low	148 Å²	148	104.4 Å²	104.4	64%	0.643	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-60.6	137.7	173.3	-81.7	177.5	177.6	178.5	0	108.7	E461 S478	E461-K480 WeakPolarHBondContact CA-O 3.25Å; E461-K480 HydrophobicContact CB-CB 3.94Å; E461-K480 WeakPolarHBondContact CB-O 3.49Å; E461-K480 PolarHBondContact N-O 2.85Å; E461-K480 WeakPolarHBondContact OE2-CB 3.49Å; E461-K480 WeakPolarHBondContact OE2-CD 3.17Å; S478-K480 PolarHBondContact O-N 3.49Å
481	K	61.7	Low	64.2	Low	138 Å²	138	99.1 Å²	99.1	60%	0.6	51%	0.507	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.1	118	173.8	-68.4	178.1	159.8	-159.5	0	107.7	D458 V459 K479	D458-K481 HydrophobicContact CB-CB 4.45Å; D458-K481 HydrophobicContact CB-CD 4.18Å; D458-K481 WeakPolarHBondContact OD2-CD 3.23Å; D458-K481 IonicContact OD2-NZ 3.39Å; D458-K481 PolarHBondContact OD2-NZ 2.84Å; V459-K481 CarbonylContact O-C 3.51Å; K479-K481 PolarHBondContact O-N 2.93Å
482	L	68.8	Low	67.2	Low	34 Å²	34	90.9 Å²	90.9	18%	0.178	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	134.2	169.8	-94.9	160.5	0	0	0	108.2	V459 E461	V459-L482 HydrophobicContact CG2-CB 3.92Å; V459-L482 WeakPolarHBondContact CG2-O 3.13Å; V459-L482 PolarHBondContact N-O 2.75Å; V459-L482 PolarHBondContact O-N 2.87Å; V459-L482 VanDerWaalsContact O-O 3.08Å; E461-L482 HydrophobicContact CB-CD1 3.86Å; E461-L482 HydrophobicContact CB-CG 4.08Å; E461-L482 HydrophobicContact CG-CD1 3.53Å; E461-L482 HydrophobicContact CG-CG 4Å; E461-L482 WeakPolarHBondContact OE1-CD1 3.42Å; E461-L482 WeakPolarHBondContact OE1-CG 3.39Å
483	K	84	Confident	70.3	Confident	124 Å²	124	83.7 Å²	83.7	54%	0.539	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	130.4	169.2	-65.3	-172.9	175.8	-172.9	0	109.2	V392 Q395 T457	V392-K483 HydrophobicContact CG2-CB 3.4Å; V392-K483 VanDerWaalsContact CG2-CB 3.4Å; V392-K483 HydrophobicContact CG2-CD 4.3Å; Q395-K483 PolarHBondContact NE2-O 2.94Å; T457-K483 WeakPolarHBondContact O-CA 3.26Å
484	L	90.9	Very high	73.4	Confident	7 Å²	7	78 Å²	78	4%	0.037	39%	0.394	C	S	.	.			trans	-117.5	124.5	-178.2	-179.1	65.9	0	0	0	110.5	K438 L440 T457 V459 L488	K438-L484 HydrophobicContact CB-CD2 3.92Å; K438-L484 WeakPolarHBondContact O-CD2 3.5Å; L440-L484 HydrophobicContact CD2-CB 3.86Å; L440-L484 HydrophobicContact CD2-CD2 4.03Å; L440-L484 HydrophobicContact CD2-CG 4.28Å; L440-L484 HydrophobicContact CG-CD2 4.11Å; L440-L484 HydrophobicContact CG-CG 4.48Å; T457-L484 PolarHBondContact O-N 2.94Å; V459-L484 HydrophobicContact CG1-CB 4.38Å; V459-L484 HydrophobicContact CG1-CD2 4.09Å; V459-L484 HydrophobicContact CG2-CB 3.88Å; V459-L484 HydrophobicContact CG2-CD2 4.39Å; L484-L488 HydrophobicContact CD1-CD2 4.2Å; L484-L488 HydrophobicContact CD1-CG 4.48Å
485	A	93.4	Very high	76.4	Confident	4 Å²	4	73 Å²	73	3%	0.033	35%	0.354	C	S	.	.			trans	-65.7	133.5	173.8	0	0	0	0	0	110.4	V392 Q395 D487 L488 S489	V392-A485 HydrophobicContact CG1-CB 4.04Å; Q395-A485 HydrophobicContact CB-CB 3.64Å; A485-D487 VanDerWaalsContact C-N 3.3Å; A485-D487 PolarHBondContact O-N 3.14Å; A485-L488 HydrophobicContact CB-CB 4.37Å; A485-L488 PolarHBondContact O-N 3.34Å; A485-L488 VanDerWaalsContact O-N 3.16Å; A485-S489 PolarHBondContact O-N 2.66Å
486	K	92.1	Very high	79.4	Confident	130 Å²	130	65.5 Å²	65.5	57%	0.565	32%	0.318	S	S	*	.	H	α-helix	trans	-56.1	-44.9	179.7	-175.3	-179.2	178.1	-61.4	0	111.9	L440 L488 S489 D490	L440-K486 HydrophobicContact CD1-CB 4.46Å; K486-L488 VanDerWaalsContact C-N 3.26Å; K486-L488 PolarHBondContact O-N 2.94Å; K486-S489 WeakPolarHBondContact O-CB 3.3Å; K486-S489 PolarHBondContact O-N 3.13Å; K486-S489 VanDerWaalsContact O-N 3.14Å; K486-D490 IonicContact NZ-OD2 3.37Å; K486-D490 PolarHBondContact NZ-OD2 3.17Å; K486-D490 WeakPolarHBondContact O-CB 3.35Å; K486-D490 VanDerWaalsContact O-CG 3.27Å; K486-D490 PolarHBondContact O-N 3.21Å
487	D	93.3	Very high	82.2	Confident	85 Å²	85	56.4 Å²	56.4	46%	0.455	28%	0.281	S	S	.	.	H	α-helix	trans	-60.8	-35	-178.9	-61.2	-10	0	0	0	112.6	A399 A485 M491	A399-D487 HydrophobicContact CB-CB 3.86Å; A485-D487 VanDerWaalsContact C-N 3.3Å; A485-D487 PolarHBondContact O-N 3.14Å; D487-M491 WeakPolarHBondContact O-CG 3.49Å
488	L	94.6	Very high	84.9	Confident	6 Å²	6	52.2 Å²	52.2	3%	0.031	26%	0.256	C	S	.	.	H	α-helix	trans	-76.8	-40.7	175.7	-175.4	62.3	0	0	0	111.6	L386 Q395 M398 A399 M402 L484 A485 K486 D490 M491	L386-L488 HydrophobicContact CD1-CD1 3.96Å; Q395-L488 HydrophobicContact CB-CD2 3.9Å; Q395-L488 HydrophobicContact CG-CD2 3.9Å; M398-L488 HydrophobicContact CE-CD2 4.38Å; A399-L488 HydrophobicContact CB-CB 4.46Å; M402-L488 HydrophobicContact CE-CD1 3.48Å; M402-L488 VanDerWaalsContact CE-CD1 3.48Å; L484-L488 HydrophobicContact CD1-CD2 4.2Å; L484-L488 HydrophobicContact CD1-CG 4.48Å; A485-L488 HydrophobicContact CB-CB 4.37Å; A485-L488 PolarHBondContact O-N 3.34Å; A485-L488 VanDerWaalsContact O-N 3.16Å; K486-L488 VanDerWaalsContact C-N 3.26Å; K486-L488 PolarHBondContact O-N 2.94Å; L488-D490 VanDerWaalsContact C-N 3.31Å; L488-D490 PolarHBondContact O-N 3.08Å; L488-M491 PolarHBondContact O-N 3.28Å
489	S	94.8	Very high	87.5	Confident	2 Å²	2	50.6 Å²	50.6	1%	0.014	24%	0.236	C	C	.	.	H	α-helix	trans	-57.1	-44.1	174.6	167.1	0	0	0	0	111.9	R439 L440 A485 K486 M491 V492	R439-S489 WeakPolarHBondContact CA-OG 3.36Å; R439-S489 WeakPolarHBondContact CG-OG 3.48Å; R439-S489 PolarHBondContact NH1-O 3.18Å; L440-S489 PolarHBondContact N-OG 2.85Å; A485-S489 PolarHBondContact O-N 2.66Å; K486-S489 WeakPolarHBondContact O-CB 3.3Å; K486-S489 PolarHBondContact O-N 3.13Å; K486-S489 VanDerWaalsContact O-N 3.14Å; S489-M491 PolarHBondContact O-N 3.24Å; S489-V492 PolarHBondContact O-N 3.37Å; S489-V492 VanDerWaalsContact O-N 3.13Å
490	D	94	Very high	89.6	Confident	57 Å²	57	43.2 Å²	43.2	31%	0.305	20%	0.204	S	C	.	.	H	α-helix	trans	-66.9	-24.3	-174.1	-72	-12.8	0	0	0	112.7	R439 K486 L488 V492 I493	R439-D490 PolarHBondContact NH1-O 2.87Å; K486-D490 IonicContact NZ-OD2 3.37Å; K486-D490 PolarHBondContact NZ-OD2 3.17Å; K486-D490 WeakPolarHBondContact O-CB 3.35Å; K486-D490 VanDerWaalsContact O-CG 3.27Å; K486-D490 PolarHBondContact O-N 3.21Å; L488-D490 VanDerWaalsContact C-N 3.31Å; L488-D490 PolarHBondContact O-N 3.08Å; D490-V492 VanDerWaalsContact C-N 3.27Å; D490-V492 PolarHBondContact O-N 2.92Å; D490-I493 WeakPolarHBondContact O-CD1 3.46Å
491	M	96	Very high	91.5	Very high	9 Å²	9	41.1 Å²	41.1	4%	0.044	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-17.3	175.3	-64.6	-178.9	170.8	0	0	114.4	A399 M402 S403 L410 I435 D487 L488 S489 I493	A399-M491 HydrophobicContact CB-CE 3.69Å; A399-M491 HydrophobicContact CB-SD 4.09Å; A399-M491 VanDerWaalsContact O-CE 3.24Å; A399-M491 WeakPolarHBondContact O-CE 3.38Å; M402-M491 HydrophobicContact CB-SD 4.3Å; M402-M491 HydrophobicContact CE-SD 3.68Å; S403-M491 WeakPolarHBondContact OG-CE 3.21Å; L410-M491 HydrophobicContact CD2-CE 4.07Å; L410-M491 HydrophobicContact CD2-SD 4.11Å; I435-M491 HydrophobicContact CB-CB 4.49Å; I435-M491 HydrophobicContact CG1-CB 4.14Å; D487-M491 WeakPolarHBondContact O-CG 3.49Å; L488-M491 PolarHBondContact O-N 3.28Å; S489-M491 PolarHBondContact O-N 3.24Å; M491-I493 PolarHBondContact O-N 2.87Å
492	V	97	Very high	93.2	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.012	19%	0.187	C	C	.	.			trans	-87.7	101.3	-177.6	-179.7	0	0	0	0	109.4	I435 R439 S489 D490 K496	I435-V492 HydrophobicContact CB-CG2 4.47Å; I435-V492 HydrophobicContact CG2-CG2 4.02Å; R439-V492 HydrophobicContact CB-CB 4.41Å; R439-V492 WeakPolarHBondContact CD-O 3.32Å; R439-V492 PolarHBondContact NH1-O 3.35Å; S489-V492 PolarHBondContact O-N 3.37Å; S489-V492 VanDerWaalsContact O-N 3.13Å; D490-V492 VanDerWaalsContact C-N 3.27Å; D490-V492 PolarHBondContact O-N 2.92Å; V492-K496 HydrophobicContact CG1-CB 4.1Å
493	I	96.2	Very high	94.5	Very high	6 Å²	6	36.7 Å²	36.7	3%	0.031	19%	0.185	C	C	.	.	S	Bend	trans	-101.5	-73.8	-177	-54.5	-56.4	0	0	0	111.6	V411 T412 P414 L443 D490 M491	V411-I493 HydrophobicContact CG1-CB 4.49Å; V411-I493 HydrophobicContact CG1-CG1 4.35Å; T412-I493 WeakPolarHBondContact O-CD1 3.19Å; P414-I493 HydrophobicContact CB-CG2 4.42Å; P414-I493 HydrophobicContact CG-CG2 3.78Å; L443-I493 HydrophobicContact CD1-CD1 4.23Å; L443-I493 HydrophobicContact CD1-CG2 4.38Å; L443-I493 HydrophobicContact CD2-CG2 4.29Å; D490-I493 WeakPolarHBondContact O-CD1 3.46Å; M491-I493 PolarHBondContact O-N 2.87Å
494	Y	97.3	Very high	95.1	Very high	3 Å²	3	36 Å²	36	1%	0.012	18%	0.184	C	C	.	.	S	Bend	trans	-91.4	-10.9	-172.2	-64.3	-68.7	0	0	0	114.4	V411 P414 L415 P420 F423 P424 L434 F512 Y513	V411-Y494 HydrophobicContact CG1-CD2 4.4Å; V411-Y494 HydrophobicContact CG1-CE2 4.11Å; P414-Y494 WeakPolarHBondContact CA-OH 2.98Å; L415-Y494 HydrophobicContact CD1-CE2 3.88Å; L415-Y494 PolarHBondContact N-OH 3.26Å; P420-Y494 HydrophobicContact CB-CE1 4.17Å; P420-Y494 HydrophobicContact CG-CE1 3.93Å; F423-Y494 VanDerWaalsContact CE1-O 3.28Å; F423-Y494 WeakPolarHBondContact CE1-O 3.34Å; P424-Y494 VanDerWaalsContact CD-CE1 3.47Å; P424-Y494 HydrophobicContact CG-CD2 4.42Å; P424-Y494 HydrophobicContact CG-CE1 3.84Å; P424-Y494 HydrophobicContact CG-CE2 3.76Å; P424-Y494 WeakPolarHBondContact CG-OH 3.22Å; L434-Y494 HydrophobicContact CD2-CD2 4.09Å; Y494-F512 HydrophobicContact CD1-CE2 4.11Å; Y494-F512 HydrophobicContact CE1-CE2 4.42Å; Y494-Y513 CarbonylContact C-O 3.56Å; Y494-Y513 VanDerWaalsContact O-O 3.09Å
495	C	97.6	Very high	95.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	53.1	-173	-56.5	0	0	0	0	111.5	K436 G437 S497	K436-C495 WeakPolarHBondContact CA-O 2.96Å; K436-C495 HydrophobicContact CB-CB 3.64Å; K436-C495 HydrophobicContact CG-CB 4.08Å; G437-C495 PolarHBondContact N-O 3.03Å; C495-S497 PolarHBondContact O-N 3.36Å
496	K	97	Very high	95.4	Very high	22 Å²	22	37.5 Å²	37.5	10%	0.096	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	119.8	177.8	-179.3	-177.8	167.8	-160.7	0	110	R439 V492 V498 Y513 E514 M515	R439-K496 HydrophobicContact CB-CD 3.97Å; R439-K496 HydrophobicContact CB-CG 4.01Å; V492-K496 HydrophobicContact CG1-CB 4.1Å; K496-V498 HydrophobicContact CD-CG1 4.46Å; K496-V498 HydrophobicContact CG-CG1 4.3Å; K496-Y513 HydrophobicContact CB-CD2 4.05Å; K496-Y513 HydrophobicContact CB-CE2 4.38Å; K496-Y513 HydrophobicContact CD-CD2 4.48Å; K496-Y513 HydrophobicContact CD-CE2 3.98Å; K496-Y513 PolarHBondContact N-O 3.13Å; K496-E514 HydrophobicContact CB-CG 4.41Å; K496-E514 HydrophobicContact CD-CG 4.05Å; K496-E514 IonicContact NZ-OE1 3.6Å; K496-E514 PolarHBondContact NZ-OE1 3.39Å; K496-E514 CarbonylContact O-C 3.56Å; K496-E514 WeakPolarHBondContact O-CA 3.41Å; K496-M515 PolarHBondContact O-N 3.13Å
497	S	95.7	Very high	95.6	Very high	19 Å²	19	39.1 Å²	39.1	13%	0.133	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	127.9	177.7	-54.1	0	0	0	0	110.5	K436 G437 C495 M515	K436-S497 WeakPolarHBondContact CD-OG 3.29Å; K436-S497 WeakPolarHBondContact CE-OG 3.36Å; K436-S497 PolarHBondContact NZ-OG 3.32Å; G437-S497 WeakPolarHBondContact O-CB 3.35Å; G437-S497 PolarHBondContact O-N 3.02Å; G437-S497 PolarHBondContact O-OG 3.48Å; C495-S497 PolarHBondContact O-N 3.36Å; S497-M515 WeakPolarHBondContact CA-O 3.16Å
498	V	95	Very high	95.6	Very high	24 Å²	24	41.5 Å²	41.5	15%	0.145	20%	0.2	C	C	.	.			trans	-138.6	151.6	174.7	-59.5	0	0	0	0	111.8	K496 Q510 E514 M515 S516	K496-V498 HydrophobicContact CD-CG1 4.46Å; K496-V498 HydrophobicContact CG-CG1 4.3Å; V498-Q510 HydrophobicContact CG2-CG 4.24Å; V498-E514 HydrophobicContact CG1-CB 4.05Å; V498-E514 HydrophobicContact CG1-CG 4.06Å; V498-E514 HydrophobicContact CG2-CB 3.87Å; V498-M515 PolarHBondContact N-O 2.97Å; V498-S516 PolarHBondContact O-OG 3.25Å
499	H	92.9	Very high	95.6	Very high	75 Å²	75	45.9 Å²	45.9	35%	0.347	22%	0.223	S	C	.	.			trans	-61.7	135.9	175.4	-166.8	69.9	0	0	0	112.2	E462 N501 Q510	E462-H499 VanDerWaalsContact CD-N 3.31Å; E462-H499 HydrophobicContact CG-CB 4.35Å; E462-H499 PolarHBondContact OE1-N 2.69Å; E462-H499 WeakPolarHBondContact OE2-CA 3.25Å; E462-H499 PolarHBondContact OE2-N 2.73Å; E462-H499 IonicContact OE2-ND1 2.67Å; H499-N501 PolarHBondContact CD2-OD1 2.82Å; H499-Q510 PolarHBondContact O-NE2 3.43Å
500	F	95.5	Very high	95.6	Very high	13 Å²	13	46.8 Å²	46.8	6%	0.057	23%	0.227	C	C	.	.			trans	-93.5	112	173.3	-179	-93.9	0	0	0	111.4	S502 F503 A506 F518 L526	F500-S502 VanDerWaalsContact CZ-C 3.41Å; F500-F503 AromaticContact CE2-CD1 3.61Å; F500-F503 HydrophobicContact CE2-CD1 3.61Å; F500-F503 AromaticContact CE2-CE1 3.78Å; F500-F503 HydrophobicContact CE2-CE1 3.78Å; F500-F503 HydrophobicContact CE2-CG 4.33Å; F500-F503 AromaticContact CZ-CD1 3.51Å; F500-F503 HydrophobicContact CZ-CD1 3.51Å; F500-F503 HydrophobicContact CZ-CD2 4.33Å; F500-F503 AromaticContact CZ-CE1 3.57Å; F500-F503 HydrophobicContact CZ-CE1 3.57Å; F500-F503 HydrophobicContact CZ-CE2 4.4Å; F500-F503 AromaticContact CZ-CG 3.89Å; F500-F503 HydrophobicContact CZ-CG 3.89Å; F500-F503 HydrophobicContact CZ-CZ 4.03Å; F500-A506 HydrophobicContact CE2-CB 4.38Å; F500-F518 HydrophobicContact CB-CE1 3.82Å; F500-F518 HydrophobicContact CB-CZ 4.03Å; F500-F518 AromaticContact CD1-CE1 3.57Å; F500-F518 HydrophobicContact CD1-CE1 3.57Å; F500-F518 HydrophobicContact CD1-CZ 4.21Å; F500-F518 AromaticContact CD2-CE1 3.94Å; F500-F518 HydrophobicContact CD2-CE1 3.94Å; F500-F518 AromaticContact CD2-CZ 3.71Å; F500-F518 HydrophobicContact CD2-CZ 3.71Å; F500-F518 HydrophobicContact CE1-CE1 4.03Å; F500-F518 HydrophobicContact CE2-CE1 4.37Å; F500-F518 HydrophobicContact CE2-CZ 4.16Å; F500-F518 AromaticContact CG-CE1 3.49Å; F500-F518 HydrophobicContact CG-CE1 3.49Å; F500-F518 VanDerWaalsContact CG-CE1 3.49Å; F500-F518 AromaticContact CG-CZ 3.71Å; F500-F518 HydrophobicContact CG-CZ 3.71Å; F500-F518 HydrophobicContact CZ-CE1 4.4Å; F500-L526 HydrophobicContact CE1-CD1 4.23Å
501	N	93.6	Very high	95.6	Very high	104 Å²	104	45.3 Å²	45.3	56%	0.556	22%	0.222	S	C	*	.			trans	-85.5	-59.6	172.4	-59.7	-59.4	0	0	0	111.6	H499 D505	H499-N501 PolarHBondContact CD2-OD1 2.82Å; N501-D505 HydrophobicContact CB-CB 4.07Å; N501-D505 WeakPolarHBondContact CB-OD2 3.26Å; N501-D505 PolarHBondContact ND2-OD2 2.77Å
502	S	96.9	Very high	95.6	Very high	48 Å²	48	46.3 Å²	46.3	34%	0.336	23%	0.226	S	C	.	.			trans	-160.6	164.5	177.6	68.4	0	0	0	0	110.3	F500 E504 D505 A506	F500-S502 VanDerWaalsContact CZ-C 3.41Å; S502-E504 VanDerWaalsContact C-N 3.25Å; S502-E504 PolarHBondContact O-N 2.8Å; S502-D505 PolarHBondContact O-N 2.81Å; S502-D505 WeakPolarHBondContact OG-CB 3.42Å; S502-D505 PolarHBondContact OG-N 3.14Å; S502-D505 VanDerWaalsContact OG-N 3.13Å; S502-A506 WeakPolarHBondContact O-CB 3.4Å; S502-A506 PolarHBondContact O-N 2.96Å
503	F	97.1	Very high	95.6	Very high	31 Å²	31	46.2 Å²	46.2	14%	0.136	23%	0.225	C	C	.	.	H	α-helix	trans	-61.9	-34.5	175	-64.4	-56.7	0	0	0	112.5	F500 R507 L526 A533 Y534 H537	F500-F503 AromaticContact CE2-CD1 3.61Å; F500-F503 HydrophobicContact CE2-CD1 3.61Å; F500-F503 AromaticContact CE2-CE1 3.78Å; F500-F503 HydrophobicContact CE2-CE1 3.78Å; F500-F503 HydrophobicContact CE2-CG 4.33Å; F500-F503 AromaticContact CZ-CD1 3.51Å; F500-F503 HydrophobicContact CZ-CD1 3.51Å; F500-F503 HydrophobicContact CZ-CD2 4.33Å; F500-F503 AromaticContact CZ-CE1 3.57Å; F500-F503 HydrophobicContact CZ-CE1 3.57Å; F500-F503 HydrophobicContact CZ-CE2 4.4Å; F500-F503 AromaticContact CZ-CG 3.89Å; F500-F503 HydrophobicContact CZ-CG 3.89Å; F500-F503 HydrophobicContact CZ-CZ 4.03Å; F503-R507 WeakPolarHBondContact O-CB 3.36Å; F503-R507 PolarHBondContact O-N 2.74Å; F503-L526 HydrophobicContact CE2-CB 4.47Å; F503-L526 HydrophobicContact CE2-CD2 3.88Å; F503-L526 HydrophobicContact CZ-CB 4.26Å; F503-L526 HydrophobicContact CZ-CD1 4.14Å; F503-L526 HydrophobicContact CZ-CD2 4.21Å; F503-L526 HydrophobicContact CZ-CG 4.44Å; F503-A533 HydrophobicContact CB-CB 4.36Å; F503-A533 HydrophobicContact CD2-CB 3.68Å; F503-A533 HydrophobicContact CE2-CB 4.24Å; F503-A533 HydrophobicContact CG-CB 4.14Å; F503-Y534 AromaticContact CE1-CD2 3.44Å; F503-Y534 HydrophobicContact CE1-CD2 3.44Å; F503-Y534 VanDerWaalsContact CE1-CD2 3.44Å; F503-Y534 HydrophobicContact CE1-CE2 4Å; F503-Y534 AromaticContact CE1-CG 3.81Å; F503-Y534 HydrophobicContact CE1-CG 3.81Å; F503-Y534 HydrophobicContact CE2-CG 4.44Å; F503-Y534 AromaticContact CZ-CD1 3.96Å; F503-Y534 HydrophobicContact CZ-CD1 3.96Å; F503-Y534 AromaticContact CZ-CD2 3.58Å; F503-Y534 HydrophobicContact CZ-CD2 3.58Å; F503-Y534 HydrophobicContact CZ-CE2 4.21Å; F503-Y534 AromaticContact CZ-CG 3.42Å; F503-Y534 HydrophobicContact CZ-CG 3.42Å; F503-Y534 VanDerWaalsContact CZ-CG 3.42Å; F503-H537 HydrophobicContact CD1-CB 3.68Å; F503-H537 AromaticContact CD1-CG 3.91Å; F503-H537 HydrophobicContact CE1-CB 4Å
504	E	96.1	Very high	95.6	Very high	109 Å²	109	46.4 Å²	46.4	51%	0.509	23%	0.226	S	C	.	.	H	α-helix	trans	-68.4	-44.3	178.3	-171.7	-177	170.1	0	0	111.9	S502 R507 K508	S502-E504 VanDerWaalsContact C-N 3.25Å; S502-E504 PolarHBondContact O-N 2.8Å; E504-R507 PolarHBondContact O-N 2.84Å; E504-K508 HydrophobicContact CG-CD 4.38Å; E504-K508 WeakPolarHBondContact O-CG 3.36Å; E504-K508 PolarHBondContact O-N 2.81Å; E504-K508 IonicContact OE1-NZ 3.53Å; E504-K508 PolarHBondContact OE1-NZ 3.02Å
505	D	96.2	Very high	95.6	Very high	42 Å²	42	46.3 Å²	46.3	23%	0.225	23%	0.225	C	C	.	.	H	α-helix	trans	-63.2	-48.3	175.8	178.5	66.9	0	0	0	111.1	N501 S502 R507 K508 N509	N501-D505 HydrophobicContact CB-CB 4.07Å; N501-D505 WeakPolarHBondContact CB-OD2 3.26Å; N501-D505 PolarHBondContact ND2-OD2 2.77Å; S502-D505 PolarHBondContact O-N 2.81Å; S502-D505 WeakPolarHBondContact OG-CB 3.42Å; S502-D505 PolarHBondContact OG-N 3.14Å; S502-D505 VanDerWaalsContact OG-N 3.13Å; D505-R507 VanDerWaalsContact C-N 3.29Å; D505-R507 PolarHBondContact O-N 3.3Å; D505-K508 PolarHBondContact O-N 3.18Å; D505-N509 WeakPolarHBondContact O-CB 3.23Å; D505-N509 PolarHBondContact O-N 3.17Å; D505-N509 PolarHBondContact OD1-ND2 2.87Å
506	A	95.6	Very high	95.6	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-57.2	-41.7	177.6	0	0	0	0	0	112.2	F500 S502 K508 Q510 K541	F500-A506 HydrophobicContact CE2-CB 4.38Å; S502-A506 WeakPolarHBondContact O-CB 3.4Å; S502-A506 PolarHBondContact O-N 2.96Å; A506-K508 VanDerWaalsContact C-N 3.32Å; A506-K508 PolarHBondContact O-N 2.93Å; A506-Q510 HydrophobicContact CB-CG 4.33Å; A506-Q510 VanDerWaalsContact CB-OE1 3.27Å; A506-Q510 WeakPolarHBondContact O-CB 3.38Å; A506-Q510 PolarHBondContact O-N 2.77Å; A506-Q510 VanDerWaalsContact O-N 3.1Å; A506-K541 VanDerWaalsContact O-CE 3.31Å; A506-K541 WeakPolarHBondContact O-CE 3.42Å
507	R	94.4	Very high	95.7	Very high	164 Å²	164	46.8 Å²	46.8	62%	0.619	23%	0.232	S	C	*	.	H	α-helix	trans	-63.7	-36.3	177	-175.4	177.8	63.2	176.8	-2.1	112.7	F503 E504 D505	F503-R507 WeakPolarHBondContact O-CB 3.36Å; F503-R507 PolarHBondContact O-N 2.74Å; E504-R507 PolarHBondContact O-N 2.84Å; D505-R507 VanDerWaalsContact C-N 3.29Å; D505-R507 PolarHBondContact O-N 3.3Å
508	K	94.8	Very high	95.7	Very high	135 Å²	135	45.9 Å²	45.9	59%	0.587	23%	0.226	S	C	*	.	H	α-helix	trans	-82.8	-37.4	-177	-73.2	172.4	173.8	171.8	0	112.8	E504 D505 A506	E504-K508 HydrophobicContact CG-CD 4.38Å; E504-K508 WeakPolarHBondContact O-CG 3.36Å; E504-K508 PolarHBondContact O-N 2.81Å; E504-K508 IonicContact OE1-NZ 3.53Å; E504-K508 PolarHBondContact OE1-NZ 3.02Å; D505-K508 PolarHBondContact O-N 3.18Å; A506-K508 VanDerWaalsContact C-N 3.32Å; A506-K508 PolarHBondContact O-N 2.93Å
509	N	93.6	Very high	95.8	Very high	99 Å²	99	47.8 Å²	47.8	53%	0.529	23%	0.232	S	C	.	.	H	α-helix	trans	-118.6	-18	-160.6	-64.6	-36.8	0	0	0	114.6	D505	D505-N509 WeakPolarHBondContact O-CB 3.23Å; D505-N509 PolarHBondContact O-N 3.17Å; D505-N509 PolarHBondContact OD1-ND2 2.87Å
510	Q	94.2	Very high	95.9	Very high	21 Å²	21	45.3 Å²	45.3	10%	0.098	22%	0.22	C	C	.	.			trans	-99.6	136.1	-177.9	-64.1	175.4	-3.5	0	0	112.3	V498 H499 A506 E514 K541	V498-Q510 HydrophobicContact CG2-CG 4.24Å; H499-Q510 PolarHBondContact O-NE2 3.43Å; A506-Q510 HydrophobicContact CB-CG 4.33Å; A506-Q510 VanDerWaalsContact CB-OE1 3.27Å; A506-Q510 WeakPolarHBondContact O-CB 3.38Å; A506-Q510 PolarHBondContact O-N 2.77Å; A506-Q510 VanDerWaalsContact O-N 3.1Å; Q510-E514 VanDerWaalsContact CA-OE2 3.29Å; Q510-E514 WeakPolarHBondContact CA-OE2 3.29Å; Q510-E514 HydrophobicContact CB-CB 4.27Å; Q510-K541 HydrophobicContact CB-CD 4.43Å; Q510-K541 WeakPolarHBondContact O-CE 3.35Å
511	S	95.6	Very high	95.9	Very high	26 Å²	26	47 Å²	47	18%	0.182	24%	0.241	C	C	.	.			trans	-76.3	162.2	172.5	-62.3	0	0	0	0	111.3	Y513 E514	S511-Y513 VanDerWaalsContact C-N 3.27Å; S511-Y513 PolarHBondContact O-N 2.94Å; S511-E514 PolarHBondContact N-OE2 3Å; S511-E514 WeakPolarHBondContact O-CB 3.43Å; S511-E514 PolarHBondContact O-N 3.45Å
512	F	95.9	Very high	96.1	Very high	29 Å²	29	45.1 Å²	45.1	13%	0.127	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-34.4	-177.8	76.1	-85.4	0	0	0	113.1	P420 N422 F423 Y494 E514	P420-F512 HydrophobicContact CB-CZ 3.84Å; P420-F512 HydrophobicContact CG-CE1 4.46Å; P420-F512 HydrophobicContact CG-CZ 3.82Å; P420-F512 WeakPolarHBondContact O-CE1 3.23Å; N422-F512 WeakPolarHBondContact O-CE2 3.38Å; N422-F512 WeakPolarHBondContact O-CZ 3.36Å; F423-F512 HydrophobicContact CD1-CD2 4.37Å; F423-F512 HydrophobicContact CD1-CE2 4.45Å; F423-F512 AromaticContact CD2-CD2 3.77Å; F423-F512 HydrophobicContact CD2-CD2 3.77Å; F423-F512 HydrophobicContact CD2-CE2 4.49Å; F423-F512 HydrophobicContact CE1-CD2 4.42Å; F423-F512 HydrophobicContact CE2-CB 4.37Å; F423-F512 AromaticContact CE2-CD2 3.82Å; F423-F512 HydrophobicContact CE2-CD2 3.82Å; F423-F512 WeakPolarHBondContact CE2-O 3.1Å; F423-F512 HydrophobicContact CG-CD2 4.06Å; F423-F512 HydrophobicContact CG-CE2 4.34Å; F423-F512 HydrophobicContact CZ-CD2 4.17Å; F423-F512 WeakPolarHBondContact CZ-O 3.3Å; Y494-F512 HydrophobicContact CD1-CE2 4.11Å; Y494-F512 HydrophobicContact CE1-CE2 4.42Å; F512-E514 PolarHBondContact O-N 3.45Å
513	Y	96.1	Very high	96.2	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-2.5	179	65.7	-98.6	0	0	0	113.5	M419 L443 E444 Y494 K496 S511	M419-Y513 HydrophobicContact CE-CD1 4.06Å; M419-Y513 HydrophobicContact CE-CE1 3.64Å; L443-Y513 HydrophobicContact CB-CD1 4.26Å; L443-Y513 HydrophobicContact CB-CD2 4.25Å; L443-Y513 HydrophobicContact CB-CE1 3.73Å; L443-Y513 HydrophobicContact CB-CE2 3.77Å; L443-Y513 VanDerWaalsContact CB-CZ 3.5Å; L443-Y513 HydrophobicContact CD2-CD1 3.96Å; L443-Y513 HydrophobicContact CD2-CD2 4.48Å; L443-Y513 HydrophobicContact CD2-CE1 4.23Å; L443-Y513 HydrophobicContact CD2-CG 4.12Å; L443-Y513 PolarHBondContact N-OH 3.46Å; E444-Y513 PolarHBondContact OE2-OH 2.96Å; Y494-Y513 CarbonylContact C-O 3.56Å; Y494-Y513 VanDerWaalsContact O-O 3.09Å; K496-Y513 HydrophobicContact CB-CD2 4.05Å; K496-Y513 HydrophobicContact CB-CE2 4.38Å; K496-Y513 HydrophobicContact CD-CD2 4.48Å; K496-Y513 HydrophobicContact CD-CE2 3.98Å; K496-Y513 PolarHBondContact N-O 3.13Å; S511-Y513 VanDerWaalsContact C-N 3.27Å; S511-Y513 PolarHBondContact O-N 2.94Å
514	E	97.1	Very high	96.2	Very high	10 Å²	10	43 Å²	43	5%	0.047	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	128.7	174	-63.6	-175.2	144	0	0	109.6	K496 V498 Q510 S511 F512	K496-E514 HydrophobicContact CB-CG 4.41Å; K496-E514 HydrophobicContact CD-CG 4.05Å; K496-E514 IonicContact NZ-OE1 3.6Å; K496-E514 PolarHBondContact NZ-OE1 3.39Å; K496-E514 CarbonylContact O-C 3.56Å; K496-E514 WeakPolarHBondContact O-CA 3.41Å; V498-E514 HydrophobicContact CG1-CB 4.05Å; V498-E514 HydrophobicContact CG1-CG 4.06Å; V498-E514 HydrophobicContact CG2-CB 3.87Å; Q510-E514 VanDerWaalsContact CA-OE2 3.29Å; Q510-E514 WeakPolarHBondContact CA-OE2 3.29Å; Q510-E514 HydrophobicContact CB-CB 4.27Å; S511-E514 PolarHBondContact N-OE2 3Å; S511-E514 WeakPolarHBondContact O-CB 3.43Å; S511-E514 PolarHBondContact O-N 3.45Å; F512-E514 PolarHBondContact O-N 3.45Å
515	M	97.5	Very high	96.2	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	155	-171.3	73.4	100.5	60.6	0	0	111.2	K436 K496 S497 V498 L542 R544 I569	K436-M515 HydrophobicContact CD-SD 4.48Å; K436-M515 HydrophobicContact CG-SD 3.82Å; K496-M515 PolarHBondContact O-N 3.13Å; S497-M515 WeakPolarHBondContact CA-O 3.16Å; V498-M515 PolarHBondContact N-O 2.97Å; M515-L542 HydrophobicContact CB-CB 3.9Å; M515-L542 VanDerWaalsContact CB-O 3.26Å; M515-L542 WeakPolarHBondContact CB-O 3.46Å; M515-L542 HydrophobicContact CE-CB 3.81Å; M515-R544 HydrophobicContact CE-CB 3.99Å; M515-I569 HydrophobicContact CE-CD1 3.81Å
516	S	97.6	Very high	96.3	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.007	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	143.1	-177.4	-64	0	0	0	0	112	V498 R544	V498-S516 PolarHBondContact O-OG 3.25Å; S516-R544 PolarHBondContact O-N 2.94Å
517	S	97.4	Very high	96.4	Very high	32 Å²	32	42.7 Å²	42.7	22%	0.224	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	139	171.7	-74.4	0	0	0	0	110.1	K436 R544	K436-S517 PolarHBondContact NZ-OG 3.46Å; S517-R544 CarbonylContact C-O 3.58Å; S517-R544 VanDerWaalsContact CA-O 3.25Å; S517-R544 WeakPolarHBondContact CA-O 3.48Å
518	F	97.6	Very high	96.5	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	131.6	-178.1	-55	-95.4	0	0	0	111.2	F500 K522 A523 L526 Y534 R544 I545 Y546	F500-F518 HydrophobicContact CB-CE1 3.82Å; F500-F518 HydrophobicContact CB-CZ 4.03Å; F500-F518 AromaticContact CD1-CE1 3.57Å; F500-F518 HydrophobicContact CD1-CE1 3.57Å; F500-F518 HydrophobicContact CD1-CZ 4.21Å; F500-F518 AromaticContact CD2-CE1 3.94Å; F500-F518 HydrophobicContact CD2-CE1 3.94Å; F500-F518 AromaticContact CD2-CZ 3.71Å; F500-F518 HydrophobicContact CD2-CZ 3.71Å; F500-F518 HydrophobicContact CE1-CE1 4.03Å; F500-F518 HydrophobicContact CE2-CE1 4.37Å; F500-F518 HydrophobicContact CE2-CZ 4.16Å; F500-F518 AromaticContact CG-CE1 3.49Å; F500-F518 HydrophobicContact CG-CE1 3.49Å; F500-F518 VanDerWaalsContact CG-CE1 3.49Å; F500-F518 AromaticContact CG-CZ 3.71Å; F500-F518 HydrophobicContact CG-CZ 3.71Å; F500-F518 HydrophobicContact CZ-CE1 4.4Å; F518-K522 HydrophobicContact CD1-CD 4.37Å; F518-A523 HydrophobicContact CB-CB 3.83Å; F518-L526 HydrophobicContact CD1-CD1 4.2Å; F518-L526 HydrophobicContact CE1-CD1 4.03Å; F518-Y534 WeakPolarHBondContact CD2-OH 3.43Å; F518-Y534 HydrophobicContact CE2-CE2 4.41Å; F518-Y534 WeakPolarHBondContact CE2-OH 3.46Å; F518-R544 PolarHBondContact N-O 2.87Å; F518-I545 HydrophobicContact CB-CG1 4.4Å; F518-I545 WeakPolarHBondContact O-CA 3.3Å; F518-Y546 VanDerWaalsContact O-CD1 3.29Å; F518-Y546 WeakPolarHBondContact O-CD1 3.39Å; F518-Y546 VanDerWaalsContact O-CE1 3.26Å; F518-Y546 WeakPolarHBondContact O-CE1 3.29Å; F518-Y546 PolarHBondContact O-N 3.03Å
519	K	96.7	Very high	96.5	Very high	64 Å²	64	40.2 Å²	40.2	28%	0.278	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	141	164.4	-173	179.5	177.1	-174.2	0	109.5	E468 G521 K522 A523 Y546 A548	E468-K519 IonicContact OE1-NZ 2.96Å; E468-K519 PolarHBondContact OE1-NZ 2.98Å; K519-G521 VanDerWaalsContact C-N 3.28Å; K519-G521 PolarHBondContact O-N 3.37Å; K519-G521 VanDerWaalsContact O-N 3.08Å; K519-K522 PolarHBondContact O-N 3.09Å; K519-K522 VanDerWaalsContact O-N 3.13Å; K519-A523 PolarHBondContact O-N 3.38Å; K519-A523 VanDerWaalsContact O-N 3.14Å; K519-Y546 HydrophobicContact CB-CE2 4.33Å; K519-Y546 PolarHBondContact N-OH 3.15Å; K519-A548 HydrophobicContact CD-CB 4.46Å; K519-A548 VanDerWaalsContact CE-CB 3.47Å; K519-A548 HydrophobicContact CG-CB 4.24Å
520	E	95.2	Very high	96.6	Very high	22 Å²	22	37.9 Å²	37.9	10%	0.103	20%	0.202	C	C	.	.	H	α-helix	trans	-45.8	-45.6	-174.2	68.1	-179.9	-137.6	0	0	114.4	K522 A523 V524 Y546 P547 A548 R551 Y557	E520-K522 PolarHBondContact O-N 3.27Å; E520-A523 PolarHBondContact O-N 3.36Å; E520-V524 WeakPolarHBondContact O-CG2 3.23Å; E520-V524 PolarHBondContact O-N 2.8Å; E520-Y546 PolarHBondContact N-O 3.33Å; E520-P547 VanDerWaalsContact OE2-CA 3.23Å; E520-P547 WeakPolarHBondContact OE2-CA 3.33Å; E520-A548 HydrophobicContact CG-CB 3.82Å; E520-A548 PolarHBondContact OE2-N 2.87Å; E520-R551 IonicContact OE1-CZ 3.6Å; E520-R551 VanDerWaalsContact OE1-CZ 3.25Å; E520-R551 IonicContact OE1-NE 2.88Å; E520-R551 PolarHBondContact OE1-NE 2.98Å; E520-R551 IonicContact OE1-NH2 3.32Å; E520-R551 PolarHBondContact OE1-NH2 2.85Å; E520-R551 WeakPolarHBondContact OE2-CD 3.47Å; E520-R551 IonicContact OE2-CZ 3.87Å; E520-R551 IonicContact OE2-NE 2.73Å; E520-R551 PolarHBondContact OE2-NE 3.41Å; E520-R551 IonicContact OE2-NH2 3.86Å; E520-Y557 HydrophobicContact CB-CD1 3.82Å; E520-Y557 HydrophobicContact CB-CD2 4.48Å; E520-Y557 HydrophobicContact CB-CE1 4.33Å; E520-Y557 HydrophobicContact CB-CG 3.9Å; E520-Y557 WeakPolarHBondContact OE2-CD1 3.42Å
521	G	95.5	Very high	96.7	Very high	48 Å²	48	37 Å²	37	50%	0.495	20%	0.197	S	C	.	.	H	α-helix	trans	-65.5	-39.8	-173.4	0	0	0	0	0	112.7	K519 K525	K519-G521 VanDerWaalsContact C-N 3.28Å; K519-G521 PolarHBondContact O-N 3.37Å; K519-G521 VanDerWaalsContact O-N 3.08Å; G521-K525 WeakPolarHBondContact O-CB 3.42Å; G521-K525 PolarHBondContact O-N 3.38Å; G521-K525 VanDerWaalsContact O-N 3.16Å
522	K	96.9	Very high	96.8	Very high	65 Å²	65	36.9 Å²	36.9	28%	0.283	20%	0.195	S	C	.	.	H	α-helix	trans	-68.9	-42.8	174.5	-177.7	179.6	178.2	-179.3	0	110.8	S465 F518 K519 E520 K525 L526	S465-K522 VanDerWaalsContact CB-NZ 3.29Å; S465-K522 WeakPolarHBondContact OG-CD 3.3Å; F518-K522 HydrophobicContact CD1-CD 4.37Å; K519-K522 PolarHBondContact O-N 3.09Å; K519-K522 VanDerWaalsContact O-N 3.13Å; E520-K522 PolarHBondContact O-N 3.27Å; K522-K525 PolarHBondContact O-N 2.79Å; K522-L526 HydrophobicContact CG-CD1 4.2Å; K522-L526 WeakPolarHBondContact O-CG 3.34Å; K522-L526 PolarHBondContact O-N 2.7Å
523	A	98.1	Very high	96.9	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-64.3	-43.5	-177.8	0	0	0	0	0	112.2	F518 K519 E520 L526 A527 I545 L562	F518-A523 HydrophobicContact CB-CB 3.83Å; K519-A523 PolarHBondContact O-N 3.38Å; K519-A523 VanDerWaalsContact O-N 3.14Å; E520-A523 PolarHBondContact O-N 3.36Å; A523-L526 PolarHBondContact O-N 2.83Å; A523-A527 PolarHBondContact O-N 3.04Å; A523-I545 HydrophobicContact CB-CB 4.43Å; A523-I545 HydrophobicContact CB-CG1 3.6Å; A523-I545 HydrophobicContact CB-CG2 3.89Å; A523-L562 HydrophobicContact CB-CD2 3.64Å
524	V	97.5	Very high	97	Very high	35 Å²	35	37.3 Å²	37.3	21%	0.212	20%	0.204	C	C	.	.	H	α-helix	trans	-64.7	-45.8	176.9	170.8	0	0	0	0	110.4	E520 L526 A527 E528 L562	E520-V524 WeakPolarHBondContact O-CG2 3.23Å; E520-V524 PolarHBondContact O-N 2.8Å; V524-L526 VanDerWaalsContact C-N 3.29Å; V524-L526 PolarHBondContact O-N 3.03Å; V524-A527 CarbonylContact O-C 3.57Å; V524-A527 WeakPolarHBondContact O-CA 3.49Å; V524-A527 WeakPolarHBondContact O-CB 3.46Å; V524-A527 PolarHBondContact O-N 3.41Å; V524-E528 HydrophobicContact CG1-CG 4.36Å; V524-E528 WeakPolarHBondContact CG1-OE1 3.41Å; V524-E528 WeakPolarHBondContact O-CG 3.47Å; V524-E528 PolarHBondContact O-N 2.9Å; V524-L562 HydrophobicContact CG2-CD2 4.29Å
525	K	97.7	Very high	97	Very high	111 Å²	111	36.9 Å²	36.9	48%	0.483	20%	0.202	S	C	.	.	H	α-helix	trans	-55.5	-44	175.2	-174.7	177.7	-178.6	178.7	0	112.3	G521 K522 A527 E528 E529	G521-K525 WeakPolarHBondContact O-CB 3.42Å; G521-K525 PolarHBondContact O-N 3.38Å; G521-K525 VanDerWaalsContact O-N 3.16Å; K522-K525 PolarHBondContact O-N 2.79Å; K525-A527 VanDerWaalsContact C-N 3.32Å; K525-A527 PolarHBondContact O-N 3.29Å; K525-E528 PolarHBondContact O-N 3.4Å; K525-E529 WeakPolarHBondContact CE-OE1 3.49Å; K525-E529 WeakPolarHBondContact CE-OE2 3.48Å; K525-E529 HydrophobicContact CG-CG 4.26Å; K525-E529 IonicContact NZ-OE1 3.79Å; K525-E529 WeakPolarHBondContact O-CB 3.32Å; K525-E529 WeakPolarHBondContact O-CG 3.29Å; K525-E529 PolarHBondContact O-N 3.29Å
526	L	98.1	Very high	97	Very high	29 Å²	29	41.7 Å²	41.7	15%	0.152	22%	0.22	C	C	.	.	H	α-helix	trans	-64.4	-35.9	175.3	-69.7	170.7	0	0	0	112.6	F500 F503 F518 K522 A523 V524 E528 S530 A531 Y534	F500-L526 HydrophobicContact CE1-CD1 4.23Å; F503-L526 HydrophobicContact CE2-CB 4.47Å; F503-L526 HydrophobicContact CE2-CD2 3.88Å; F503-L526 HydrophobicContact CZ-CB 4.26Å; F503-L526 HydrophobicContact CZ-CD1 4.14Å; F503-L526 HydrophobicContact CZ-CD2 4.21Å; F503-L526 HydrophobicContact CZ-CG 4.44Å; F518-L526 HydrophobicContact CD1-CD1 4.2Å; F518-L526 HydrophobicContact CE1-CD1 4.03Å; K522-L526 HydrophobicContact CG-CD1 4.2Å; K522-L526 WeakPolarHBondContact O-CG 3.34Å; K522-L526 PolarHBondContact O-N 2.7Å; A523-L526 PolarHBondContact O-N 2.83Å; V524-L526 VanDerWaalsContact C-N 3.29Å; V524-L526 PolarHBondContact O-N 3.03Å; L526-E528 VanDerWaalsContact C-N 3.32Å; L526-S530 CarbonylContact O-C 3.53Å; L526-S530 WeakPolarHBondContact O-CA 3.11Å; L526-S530 PolarHBondContact O-N 2.91Å; L526-A531 PolarHBondContact O-N 3.02Å; L526-Y534 HydrophobicContact CB-CD1 3.85Å; L526-Y534 HydrophobicContact CB-CE1 3.9Å
527	A	97.5	Very high	97.1	Very high	4 Å²	4	42.1 Å²	42.1	3%	0.033	22%	0.222	C	C	.	.	H	α-helix	trans	-70.5	-26.6	176.5	0	0	0	0	0	112.9	A523 V524 K525 A531 L562 A565	A523-A527 PolarHBondContact O-N 3.04Å; V524-A527 CarbonylContact O-C 3.57Å; V524-A527 WeakPolarHBondContact O-CA 3.49Å; V524-A527 WeakPolarHBondContact O-CB 3.46Å; V524-A527 PolarHBondContact O-N 3.41Å; K525-A527 VanDerWaalsContact C-N 3.32Å; K525-A527 PolarHBondContact O-N 3.29Å; A527-A531 VanDerWaalsContact O-CB 3.29Å; A527-A531 WeakPolarHBondContact O-CB 3Å; A527-L562 HydrophobicContact CB-CD2 4.37Å; A527-A565 HydrophobicContact CB-CB 3.86Å
528	E	95.2	Very high	97.1	Very high	118 Å²	118	40.6 Å²	40.6	55%	0.551	21%	0.211	S	C	*	.	H	α-helix	trans	-86.8	-41.5	177.6	-69.6	172.2	170.6	0	0	112.3	V524 K525 L526	V524-E528 HydrophobicContact CG1-CG 4.36Å; V524-E528 WeakPolarHBondContact CG1-OE1 3.41Å; V524-E528 WeakPolarHBondContact O-CG 3.47Å; V524-E528 PolarHBondContact O-N 2.9Å; K525-E528 PolarHBondContact O-N 3.4Å; L526-E528 VanDerWaalsContact C-N 3.32Å
529	E	95.7	Very high	97.1	Very high	130 Å²	130	41.1 Å²	41.1	61%	0.607	22%	0.215	S	C	*	.	H	α-helix	trans	-95.4	-18.7	-172.5	-63.2	178.8	173.6	0	0	113.6	K525	K525-E529 WeakPolarHBondContact CE-OE1 3.49Å; K525-E529 WeakPolarHBondContact CE-OE2 3.48Å; K525-E529 HydrophobicContact CG-CG 4.26Å; K525-E529 IonicContact NZ-OE1 3.79Å; K525-E529 WeakPolarHBondContact O-CB 3.32Å; K525-E529 WeakPolarHBondContact O-CG 3.29Å; K525-E529 PolarHBondContact O-N 3.29Å
530	S	96.4	Very high	97.1	Very high	50 Å²	50	42 Å²	42	35%	0.35	22%	0.22	S	C	.	.	S	Bend	trans	-149.4	36.2	-169.6	-66	0	0	0	0	113	L526 N532 A533 Y534	L526-S530 CarbonylContact O-C 3.53Å; L526-S530 WeakPolarHBondContact O-CA 3.11Å; L526-S530 PolarHBondContact O-N 2.91Å; S530-N532 PolarHBondContact O-N 3.19Å; S530-A533 PolarHBondContact O-N 3Å; S530-A533 VanDerWaalsContact O-N 3.16Å; S530-Y534 PolarHBondContact O-N 2.94Å
531	A	96.3	Very high	97.2	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.008	22%	0.216	C	C	.	.	H	α-helix	trans	-51.4	-52.1	-172.4	0	0	0	0	0	113.7	L526 A527 A533 Y534 I535 P612 I613	L526-A531 PolarHBondContact O-N 3.02Å; A527-A531 VanDerWaalsContact O-CB 3.29Å; A527-A531 WeakPolarHBondContact O-CB 3Å; A531-A533 PolarHBondContact O-N 3.11Å; A531-Y534 WeakPolarHBondContact O-CB 3.33Å; A531-Y534 PolarHBondContact O-N 2.97Å; A531-Y534 VanDerWaalsContact O-N 3.11Å; A531-I535 WeakPolarHBondContact O-CG1 3.36Å; A531-I535 PolarHBondContact O-N 2.85Å; A531-P612 HydrophobicContact CB-CG 3.78Å; A531-I613 HydrophobicContact CB-CG1 4.36Å
532	N	96.3	Very high	97.3	Very high	25 Å²	25	39 Å²	39	13%	0.134	19%	0.192	C	C	.	.	H	α-helix	trans	-62.1	-40.1	-178.8	179.7	-95.6	0	0	0	112.9	S530 Y534 I535 R536 T608 F610	S530-N532 PolarHBondContact O-N 3.19Å; N532-Y534 VanDerWaalsContact C-N 3.28Å; N532-Y534 PolarHBondContact O-N 3.4Å; N532-I535 PolarHBondContact O-N 3.38Å; N532-R536 WeakPolarHBondContact O-CG 3.03Å; N532-R536 PolarHBondContact O-N 2.73Å; N532-R536 PolarHBondContact OD1-NE 3.16Å; N532-R536 PolarHBondContact OD1-NH1 3.48Å; N532-R536 VanDerWaalsContact OD1-NH1 3.08Å; N532-R536 PolarHBondContact OD1-NH2 3.44Å; N532-T608 PolarHBondContact ND2-O 2.9Å; N532-F610 PolarHBondContact ND2-O 2.87Å
533	A	97.6	Very high	97.4	Very high	38 Å²	38	35.9 Å²	35.9	31%	0.314	18%	0.179	S	C	.	.	H	α-helix	trans	-64.1	-37.5	175.9	0	0	0	0	0	111.3	F503 S530 A531 H537	F503-A533 HydrophobicContact CB-CB 4.36Å; F503-A533 HydrophobicContact CD2-CB 3.68Å; F503-A533 HydrophobicContact CE2-CB 4.24Å; F503-A533 HydrophobicContact CG-CB 4.14Å; S530-A533 PolarHBondContact O-N 3Å; S530-A533 VanDerWaalsContact O-N 3.16Å; A531-A533 PolarHBondContact O-N 3.11Å; A533-H537 PolarHBondContact O-N 2.97Å
534	Y	98.3	Very high	97.4	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-67.9	-43.1	176.1	-153	169.6	0	0	0	111.9	F503 F518 L526 S530 A531 N532 R536 H537 N538 S543 A565	F503-Y534 AromaticContact CE1-CD2 3.44Å; F503-Y534 HydrophobicContact CE1-CD2 3.44Å; F503-Y534 VanDerWaalsContact CE1-CD2 3.44Å; F503-Y534 HydrophobicContact CE1-CE2 4Å; F503-Y534 AromaticContact CE1-CG 3.81Å; F503-Y534 HydrophobicContact CE1-CG 3.81Å; F503-Y534 HydrophobicContact CE2-CG 4.44Å; F503-Y534 AromaticContact CZ-CD1 3.96Å; F503-Y534 HydrophobicContact CZ-CD1 3.96Å; F503-Y534 AromaticContact CZ-CD2 3.58Å; F503-Y534 HydrophobicContact CZ-CD2 3.58Å; F503-Y534 HydrophobicContact CZ-CE2 4.21Å; F503-Y534 AromaticContact CZ-CG 3.42Å; F503-Y534 HydrophobicContact CZ-CG 3.42Å; F503-Y534 VanDerWaalsContact CZ-CG 3.42Å; F518-Y534 WeakPolarHBondContact CD2-OH 3.43Å; F518-Y534 HydrophobicContact CE2-CE2 4.41Å; F518-Y534 WeakPolarHBondContact CE2-OH 3.46Å; L526-Y534 HydrophobicContact CB-CD1 3.85Å; L526-Y534 HydrophobicContact CB-CE1 3.9Å; S530-Y534 PolarHBondContact O-N 2.94Å; A531-Y534 WeakPolarHBondContact O-CB 3.33Å; A531-Y534 PolarHBondContact O-N 2.97Å; A531-Y534 VanDerWaalsContact O-N 3.11Å; N532-Y534 VanDerWaalsContact C-N 3.28Å; N532-Y534 PolarHBondContact O-N 3.4Å; Y534-R536 PolarHBondContact O-N 2.79Å; Y534-H537 WeakPolarHBondContact O-CB 3.4Å; Y534-H537 PolarHBondContact O-N 2.8Å; Y534-N538 VanDerWaalsContact CD2-ND2 3.32Å; Y534-N538 WeakPolarHBondContact CD2-ND2 3.14Å; Y534-N538 PolarHBondContact O-N 2.78Å; Y534-N538 PolarHBondContact O-ND2 2.74Å; Y534-N538 VanDerWaalsContact O-ND2 3.17Å; Y534-S543 WeakPolarHBondContact CE2-OG 3.31Å; Y534-A565 HydrophobicContact CD1-CB 3.89Å; Y534-A565 HydrophobicContact CG-CB 4.19Å
535	I	98.2	Very high	97.5	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-57.7	-49.6	174.9	-67.3	157	0	0	0	110	A531 N532 H537 N538 V539 A565 M603 T608 F610	A531-I535 WeakPolarHBondContact O-CG1 3.36Å; A531-I535 PolarHBondContact O-N 2.85Å; N532-I535 PolarHBondContact O-N 3.38Å; I535-H537 VanDerWaalsContact C-N 3.32Å; I535-H537 PolarHBondContact O-N 2.72Å; I535-N538 CarbonylContact O-C 3.52Å; I535-N538 WeakPolarHBondContact O-CA 3.47Å; I535-N538 PolarHBondContact O-N 2.76Å; I535-V539 WeakPolarHBondContact O-CG2 3.32Å; I535-V539 PolarHBondContact O-N 2.79Å; I535-A565 WeakPolarHBondContact CA-O 3.3Å; I535-A565 WeakPolarHBondContact CG1-O 3.45Å; I535-A565 PolarHBondContact N-O 3.13Å; I535-M603 HydrophobicContact CG1-CE 4.49Å; I535-M603 HydrophobicContact CG2-CB 4.4Å; I535-M603 HydrophobicContact CG2-CG 4.34Å; I535-T608 HydrophobicContact CG2-CG2 3.89Å; I535-F610 HydrophobicContact CD1-CD1 3.63Å; I535-F610 HydrophobicContact CD1-CE1 4.07Å
536	R	97.9	Very high	97.5	Very high	102 Å²	102	29.7 Å²	29.7	39%	0.385	15%	0.149	S	C	.	.	H	α-helix	trans	-60.1	-39.8	178.1	-72.4	176.1	178.7	160.8	-0.4	112.4	N532 Y534 N538 V539 T608	N532-R536 WeakPolarHBondContact O-CG 3.03Å; N532-R536 PolarHBondContact O-N 2.73Å; N532-R536 PolarHBondContact OD1-NE 3.16Å; N532-R536 PolarHBondContact OD1-NH1 3.48Å; N532-R536 VanDerWaalsContact OD1-NH1 3.08Å; N532-R536 PolarHBondContact OD1-NH2 3.44Å; Y534-R536 PolarHBondContact O-N 2.79Å; R536-N538 VanDerWaalsContact C-N 3.3Å; R536-N538 PolarHBondContact O-N 2.89Å; R536-V539 WeakPolarHBondContact O-CB 3.29Å; R536-V539 PolarHBondContact O-N 2.77Å; R536-T608 HydrophobicContact CG-CG2 4.14Å; R536-T608 PolarHBondContact NE-O 3.35Å; R536-T608 VanDerWaalsContact NE-O 3.11Å; R536-T608 PolarHBondContact NH2-O 3Å
537	H	98.3	Very high	97.4	Very high	10 Å²	10	28.5 Å²	28.5	5%	0.046	14%	0.143	C	C	.	.	H	α-helix	trans	-58.5	-44.1	171.8	177.1	85.5	0	0	0	111.5	F503 A533 Y534 I535 V539 E540 K541	F503-H537 HydrophobicContact CD1-CB 3.68Å; F503-H537 AromaticContact CD1-CG 3.91Å; F503-H537 HydrophobicContact CE1-CB 4Å; A533-H537 PolarHBondContact O-N 2.97Å; Y534-H537 WeakPolarHBondContact O-CB 3.4Å; Y534-H537 PolarHBondContact O-N 2.8Å; I535-H537 VanDerWaalsContact C-N 3.32Å; I535-H537 PolarHBondContact O-N 2.72Å; H537-V539 VanDerWaalsContact C-N 3.28Å; H537-V539 PolarHBondContact O-N 3.33Å; H537-E540 PolarHBondContact O-N 3.18Å; H537-K541 WeakPolarHBondContact CE1-CD 3.48Å; H537-K541 PolarHBondContact O-N 3.05Å
538	N	98.4	Very high	97.3	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-75.8	-7.7	-179.8	-68.7	-36.9	0	0	0	114.7	Y534 I535 R536 E540 S543 A565 G566 C567 Q568 K599	Y534-N538 VanDerWaalsContact CD2-ND2 3.32Å; Y534-N538 WeakPolarHBondContact CD2-ND2 3.14Å; Y534-N538 PolarHBondContact O-N 2.78Å; Y534-N538 PolarHBondContact O-ND2 2.74Å; Y534-N538 VanDerWaalsContact O-ND2 3.17Å; I535-N538 CarbonylContact O-C 3.52Å; I535-N538 WeakPolarHBondContact O-CA 3.47Å; I535-N538 PolarHBondContact O-N 2.76Å; R536-N538 VanDerWaalsContact C-N 3.3Å; R536-N538 PolarHBondContact O-N 2.89Å; N538-E540 VanDerWaalsContact C-N 3.3Å; N538-S543 VanDerWaalsContact OD1-CB 3.3Å; N538-S543 WeakPolarHBondContact OD1-CB 3.28Å; N538-S543 PolarHBondContact OD1-OG 2.77Å; N538-A565 PolarHBondContact ND2-O 2.98Å; N538-G566 VanDerWaalsContact CB-O 3.3Å; N538-G566 WeakPolarHBondContact CB-O 2.93Å; N538-C567 PolarHBondContact ND2-N 3.44Å; N538-C567 PolarHBondContact ND2-SG 2.91Å; N538-C567 VanDerWaalsContact ND2-SG 3.41Å; N538-Q568 PolarHBondContact O-NE2 2.84Å; N538-Q568 PolarHBondContact OD1-OE1 3.36Å; N538-K599 PolarHBondContact O-NZ 3.43Å
539	V	97.5	Very high	97	Very high	12 Å²	12	26.3 Å²	26.3	7%	0.073	15%	0.152	C	C	.	.	H	α-helix	trans	-74.2	-25.1	168.5	172.6	0	0	0	0	111.5	N300 H301 I535 R536 H537 M603 R604 A606	N300-V539 PolarHBondContact ND2-O 3.28Å; H301-V539 PolarHBondContact NE2-O 3.45Å; I535-V539 WeakPolarHBondContact O-CG2 3.32Å; I535-V539 PolarHBondContact O-N 2.79Å; R536-V539 WeakPolarHBondContact O-CB 3.29Å; R536-V539 PolarHBondContact O-N 2.77Å; H537-V539 VanDerWaalsContact C-N 3.28Å; H537-V539 PolarHBondContact O-N 3.33Å; V539-M603 WeakPolarHBondContact CG2-O 3.38Å; V539-R604 VanDerWaalsContact CG1-O 3.26Å; V539-R604 WeakPolarHBondContact CG1-O 3.46Å; V539-A606 HydrophobicContact CG1-CB 4.14Å
540	E	95.9	Very high	96.8	Very high	83 Å²	83	24.8 Å²	24.8	39%	0.388	16%	0.155	S	C	.	.	H	α-helix	trans	-112	-28.7	-176.1	-63.9	178	-179.9	0	0	113.4	N300 H537 N538	N300-E540 VanDerWaalsContact ND2-C 3.29Å; N300-E540 WeakPolarHBondContact ND2-CA 3.42Å; N300-E540 PolarHBondContact ND2-N 2.91Å; H537-E540 PolarHBondContact O-N 3.18Å; N538-E540 VanDerWaalsContact C-N 3.3Å
541	K	97.3	Very high	96.7	Very high	5 Å²	5	25.4 Å²	25.4	2%	0.022	15%	0.15	C	C	.	.	S	Bend	trans	-131.1	169.6	-168.4	-64.1	166.9	-178.8	65.6	0	111.2	A506 Q510 H537 Q568	A506-K541 VanDerWaalsContact O-CE 3.31Å; A506-K541 WeakPolarHBondContact O-CE 3.42Å; Q510-K541 HydrophobicContact CB-CD 4.43Å; Q510-K541 WeakPolarHBondContact O-CE 3.35Å; H537-K541 WeakPolarHBondContact CE1-CD 3.48Å; H537-K541 PolarHBondContact O-N 3.05Å; K541-Q568 PolarHBondContact O-NE2 3.35Å
542	L	98.5	Very high	96.5	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.168	C	C	.	.			trans	-99.4	140.1	172.9	-68.3	171.6	0	0	0	110.7	L299 N300 F423 M515 Q568	L299-L542 HydrophobicContact CD2-CD1 4.42Å; N300-L542 HydrophobicContact CB-CD2 3.68Å; N300-L542 HydrophobicContact CB-CG 4.15Å; F423-L542 HydrophobicContact CD1-CD1 4.4Å; F423-L542 HydrophobicContact CE1-CD1 3.57Å; F423-L542 HydrophobicContact CE1-CG 4.01Å; F423-L542 HydrophobicContact CE2-CG 4.26Å; F423-L542 HydrophobicContact CZ-CD1 3.75Å; F423-L542 HydrophobicContact CZ-CG 3.67Å; M515-L542 HydrophobicContact CB-CB 3.9Å; M515-L542 VanDerWaalsContact CB-O 3.26Å; M515-L542 WeakPolarHBondContact CB-O 3.46Å; M515-L542 HydrophobicContact CE-CB 3.81Å; L542-Q568 HydrophobicContact CD2-CB 3.93Å; L542-Q568 HydrophobicContact CD2-CG 3.83Å
543	S	98.7	Very high	96.3	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	129.7	169.7	-62.7	0	0	0	0	110.7	Y534 N538 I569	Y534-S543 WeakPolarHBondContact CE2-OG 3.31Å; N538-S543 VanDerWaalsContact OD1-CB 3.3Å; N538-S543 WeakPolarHBondContact OD1-CB 3.28Å; N538-S543 PolarHBondContact OD1-OG 2.77Å; S543-I569 PolarHBondContact O-N 2.78Å; S543-I569 VanDerWaalsContact O-N 3.16Å
544	R	98.7	Very high	96.1	Very high	4 Å²	4	30.2 Å²	30.2	2%	0.015	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	132.6	171.6	176.8	174.6	-171	-97.9	-8.7	110.7	E338 M515 S516 S517 F518 I569	E338-R544 IonicContact OE1-CZ 2.77Å; E338-R544 IonicContact OE1-NH1 2.72Å; E338-R544 PolarHBondContact OE1-NH1 2.75Å; E338-R544 IonicContact OE1-NH2 2.78Å; E338-R544 PolarHBondContact OE1-NH2 2.95Å; E338-R544 IonicContact OE2-CZ 3.42Å; E338-R544 IonicContact OE2-NH2 3.6Å; E338-R544 PolarHBondContact OE2-NH2 2.8Å; M515-R544 HydrophobicContact CE-CB 3.99Å; S516-R544 PolarHBondContact O-N 2.94Å; S517-R544 CarbonylContact C-O 3.58Å; S517-R544 VanDerWaalsContact CA-O 3.25Å; S517-R544 WeakPolarHBondContact CA-O 3.48Å; F518-R544 PolarHBondContact N-O 2.87Å; R544-I569 CarbonylContact C-O 3.6Å; R544-I569 VanDerWaalsContact CA-O 3.3Å; R544-I569 WeakPolarHBondContact CA-O 3.02Å; R544-I569 HydrophobicContact CB-CB 4.11Å; R544-I569 HydrophobicContact CB-CG2 4.04Å; R544-I569 HydrophobicContact CG-CB 4.33Å; R544-I569 HydrophobicContact CG-CG2 3.75Å
545	I	98.7	Very high	96	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	142.4	174.2	-60.1	79.7	0	0	0	108.8	F518 A523 Y557 L562 C567 I569 V570 A571	F518-I545 HydrophobicContact CB-CG1 4.4Å; F518-I545 WeakPolarHBondContact O-CA 3.3Å; A523-I545 HydrophobicContact CB-CB 4.43Å; A523-I545 HydrophobicContact CB-CG1 3.6Å; A523-I545 HydrophobicContact CB-CG2 3.89Å; I545-Y557 HydrophobicContact CG2-CE1 4.44Å; I545-Y557 HydrophobicContact CG2-CE2 4.09Å; I545-Y557 PolarHBondContact O-OH 3.14Å; I545-L562 HydrophobicContact CB-CD1 3.97Å; I545-L562 HydrophobicContact CG1-CD1 3.99Å; I545-L562 HydrophobicContact CG1-CD2 4.25Å; I545-L562 HydrophobicContact CG2-CD1 3.63Å; I545-C567 HydrophobicContact CD1-CB 3.52Å; I545-I569 PolarHBondContact N-O 3.3Å; I545-V570 HydrophobicContact CD1-CG2 4.49Å; I545-A571 VanDerWaalsContact O-CB 3.23Å; I545-A571 WeakPolarHBondContact O-CB 3.3Å; I545-A571 PolarHBondContact O-N 3.24Å
546	Y	97.7	Very high	96	Very high	13 Å²	13	31.9 Å²	31.9	5%	0.051	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	156.3	178.6	60.7	-81.3	0	0	0	111.8	E464 F518 K519 E520	E464-Y546 WeakPolarHBondContact CB-OH 3.48Å; E464-Y546 VanDerWaalsContact CD-CZ 3.45Å; E464-Y546 PolarHBondContact OE1-OH 2.94Å; E464-Y546 WeakPolarHBondContact OE2-CE2 3.41Å; E464-Y546 PolarHBondContact OE2-OH 3.22Å; F518-Y546 VanDerWaalsContact O-CD1 3.29Å; F518-Y546 WeakPolarHBondContact O-CD1 3.39Å; F518-Y546 VanDerWaalsContact O-CE1 3.26Å; F518-Y546 WeakPolarHBondContact O-CE1 3.29Å; F518-Y546 PolarHBondContact O-N 3.03Å; K519-Y546 HydrophobicContact CB-CE2 4.33Å; K519-Y546 PolarHBondContact N-OH 3.15Å; E520-Y546 PolarHBondContact N-O 3.33Å
547	P	97	Very high	96	Very high	4 Å²	4	27.4 Å²	27.4	3%	0.026	17%	0.167	C	C	.	.			trans	-61.7	150.5	-178	-19.7	31.7	0	0	0	113.4	H308 E520 Y557	H308-P547 HydrophobicContact CB-CG 4.19Å; E520-P547 VanDerWaalsContact OE2-CA 3.23Å; E520-P547 WeakPolarHBondContact OE2-CA 3.33Å; P547-Y557 HydrophobicContact CB-CD1 4.14Å; P547-Y557 HydrophobicContact CB-CE1 4.22Å; P547-Y557 HydrophobicContact CG-CD1 4.09Å; P547-Y557 HydrophobicContact CG-CE1 3.76Å
548	A	94.2	Very high	96	Very high	8 Å²	8	30 Å²	30	7%	0.066	18%	0.181	C	C	.	.			trans	-68.3	142.1	173.9	0	0	0	0	0	111.9	K519 E520 S550 R551	K519-A548 HydrophobicContact CD-CB 4.46Å; K519-A548 VanDerWaalsContact CE-CB 3.47Å; K519-A548 HydrophobicContact CG-CB 4.24Å; E520-A548 HydrophobicContact CG-CB 3.82Å; E520-A548 PolarHBondContact OE2-N 2.87Å; A548-S550 PolarHBondContact O-N 3.2Å; A548-R551 WeakPolarHBondContact O-CB 3.38Å; A548-R551 PolarHBondContact O-N 3.45Å
549	G	90.3	Very high	96	Very high	68 Å²	68	30 Å²	30	70%	0.701	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-15.4	175.8	0	0	0	0	0	115.4	R551	G549-R551 PolarHBondContact O-N 3.37Å
550	S	91.7	Very high	96.1	Very high	98 Å²	98	29.7 Å²	29.7	69%	0.685	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-18.2	170.9	51.6	0	0	0	0	113.3	A548 T552	A548-S550 PolarHBondContact O-N 3.2Å; S550-T552 PolarHBondContact O-N 2.81Å
551	R	94.1	Very high	96.2	Very high	63 Å²	63	27.5 Å²	27.5	24%	0.238	17%	0.172	C	C	.	.			trans	-80.4	60.2	175.6	-62.2	-175.9	179.3	-83.9	-1.9	111.5	Q316 E520 A548 G549 D553 S554 S555 N556	Q316-R551 WeakPolarHBondContact CG-O 3.36Å; E520-R551 IonicContact OE1-CZ 3.6Å; E520-R551 VanDerWaalsContact OE1-CZ 3.25Å; E520-R551 IonicContact OE1-NE 2.88Å; E520-R551 PolarHBondContact OE1-NE 2.98Å; E520-R551 IonicContact OE1-NH2 3.32Å; E520-R551 PolarHBondContact OE1-NH2 2.85Å; E520-R551 WeakPolarHBondContact OE2-CD 3.47Å; E520-R551 IonicContact OE2-CZ 3.87Å; E520-R551 IonicContact OE2-NE 2.73Å; E520-R551 PolarHBondContact OE2-NE 3.41Å; E520-R551 IonicContact OE2-NH2 3.86Å; A548-R551 WeakPolarHBondContact O-CB 3.38Å; A548-R551 PolarHBondContact O-N 3.45Å; G549-R551 PolarHBondContact O-N 3.37Å; R551-D553 PolarHBondContact O-N 3.28Å; R551-D553 VanDerWaalsContact O-N 3.12Å; R551-S554 PolarHBondContact O-N 3.03Å; R551-S555 WeakPolarHBondContact CD-O 3.21Å; R551-S555 PolarHBondContact NH1-OG 2.89Å; R551-N556 PolarHBondContact NH1-O 3.1Å
552	T	91.8	Very high	96.2	Very high	63 Å²	63	27.3 Å²	27.3	39%	0.387	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-22	-175.3	55.5	0	0	0	0	113.2	D315 Q316 L317 S550 S554	D315-T552 WeakPolarHBondContact CB-O 3.32Å; Q316-T552 PolarHBondContact N-O 3.46Å; L317-T552 HydrophobicContact CD1-CG2 3.88Å; L317-T552 HydrophobicContact CD2-CG2 4.28Å; L317-T552 HydrophobicContact CG-CG2 4.1Å; S550-T552 PolarHBondContact O-N 2.81Å; T552-S554 PolarHBondContact O-N 2.82Å
553	D	91.4	Very high	96.3	Very high	101 Å²	101	27.3 Å²	27.3	54%	0.54	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	3.5	176	69.8	-19.1	0	0	0	113.9	R551 S555	R551-D553 PolarHBondContact O-N 3.28Å; R551-D553 VanDerWaalsContact O-N 3.12Å; D553-S555 PolarHBondContact O-N 3.44Å; D553-S555 WeakPolarHBondContact OD1-CB 3.18Å; D553-S555 PolarHBondContact OD1-N 2.84Å; D553-S555 PolarHBondContact OD1-OG 3.04Å
554	S	94.3	Very high	96.3	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	17%	0.173	C	C	.	.			trans	63	24.4	-173.6	-54.1	0	0	0	0	113.8	E314 D315 Q316 R551 T552 N573 Q575 T576	E314-S554 PolarHBondContact O-OG 2.73Å; D315-S554 WeakPolarHBondContact CA-OG 3.36Å; Q316-S554 PolarHBondContact NE2-OG 2.76Å; R551-S554 PolarHBondContact O-N 3.03Å; T552-S554 PolarHBondContact O-N 2.82Å; S554-N573 VanDerWaalsContact O-CB 3.29Å; S554-N573 WeakPolarHBondContact O-CB 3.32Å; S554-N573 PolarHBondContact O-ND2 3.05Å; S554-Q575 PolarHBondContact OG-NE2 3.48Å; S554-T576 WeakPolarHBondContact CB-OG1 3.5Å; S554-T576 VanDerWaalsContact O-CB 3.22Å; S554-T576 WeakPolarHBondContact O-CB 3.47Å; S554-T576 PolarHBondContact O-OG1 3.35Å
555	S	96.3	Very high	96.2	Very high	27 Å²	27	27.4 Å²	27.4	19%	0.189	17%	0.172	C	C	.	.			trans	-58.6	162.7	169.4	56.3	0	0	0	0	111.8	R551 D553 N573	R551-S555 WeakPolarHBondContact CD-O 3.21Å; R551-S555 PolarHBondContact NH1-OG 2.89Å; D553-S555 PolarHBondContact O-N 3.44Å; D553-S555 WeakPolarHBondContact OD1-CB 3.18Å; D553-S555 PolarHBondContact OD1-N 2.84Å; D553-S555 PolarHBondContact OD1-OG 3.04Å; S555-N573 PolarHBondContact O-ND2 3.42Å
556	N	97.8	Very high	96.2	Very high	8 Å²	8	27.4 Å²	27.4	4%	0.043	17%	0.172	C	C	.	.			trans	-114.9	152.8	-179.3	-76.8	-62.3	0	0	0	111.5	R551 L572 N573 C578 E580 L581	R551-N556 PolarHBondContact NH1-O 3.1Å; N556-L572 HydrophobicContact CB-CD2 4.17Å; N556-L572 WeakPolarHBondContact OD1-CA 3.47Å; N556-L572 WeakPolarHBondContact OD1-CB 3.48Å; N556-N573 PolarHBondContact ND2-O 3.26Å; N556-N573 VanDerWaalsContact ND2-O 3.14Å; N556-N573 PolarHBondContact OD1-N 2.91Å; N556-C578 PolarHBondContact ND2-SG 3.02Å; N556-C578 VanDerWaalsContact ND2-SG 3.38Å; N556-E580 HydrophobicContact CB-CB 3.65Å; N556-E580 HydrophobicContact CB-CG 3.86Å; N556-L581 WeakPolarHBondContact ND2-CD2 3.48Å
557	Y	97.9	Very high	96.3	Very high	8 Å²	8	26.8 Å²	26.8	3%	0.031	17%	0.17	C	C	.	.			trans	-88.2	157.1	167.8	59.5	-88.2	0	0	0	110	E520 I545 P547 P559 L562 V570 A571 L572 E580	E520-Y557 HydrophobicContact CB-CD1 3.82Å; E520-Y557 HydrophobicContact CB-CD2 4.48Å; E520-Y557 HydrophobicContact CB-CE1 4.33Å; E520-Y557 HydrophobicContact CB-CG 3.9Å; E520-Y557 WeakPolarHBondContact OE2-CD1 3.42Å; I545-Y557 HydrophobicContact CG2-CE1 4.44Å; I545-Y557 HydrophobicContact CG2-CE2 4.09Å; I545-Y557 PolarHBondContact O-OH 3.14Å; P547-Y557 HydrophobicContact CB-CD1 4.14Å; P547-Y557 HydrophobicContact CB-CE1 4.22Å; P547-Y557 HydrophobicContact CG-CD1 4.09Å; P547-Y557 HydrophobicContact CG-CE1 3.76Å; Y557-P559 VanDerWaalsContact O-CD 3.29Å; Y557-P559 WeakPolarHBondContact O-CD 3.38Å; Y557-L562 HydrophobicContact CD2-CD1 3.93Å; Y557-L562 HydrophobicContact CE2-CD1 3.39Å; Y557-V570 HydrophobicContact CE2-CG1 3.62Å; Y557-V570 WeakPolarHBondContact OH-CG1 3.36Å; Y557-A571 WeakPolarHBondContact CE1-O 3.45Å; Y557-A571 PolarHBondContact OH-N 3.24Å; Y557-A571 PolarHBondContact OH-O 3.25Å; Y557-L572 HydrophobicContact CD1-CD2 4.43Å; Y557-L572 HydrophobicContact CE1-CD2 3.96Å; Y557-L572 HydrophobicContact CE2-CD2 4.06Å; Y557-E580 VanDerWaalsContact O-CG 3.24Å; Y557-E580 WeakPolarHBondContact O-CG 3.4Å
558	N	97.9	Very high	96.4	Very high	66 Å²	66	26.6 Å²	26.6	35%	0.353	17%	0.168	S	C	.	.			trans	-65.6	117.9	176.4	-178.2	-1.4	0	0	0	110.7	V560	N558-V560 VanDerWaalsContact C-N 3.33Å; N558-V560 PolarHBondContact O-N 3.35Å; N558-V560 WeakPolarHBondContact OD1-CB 2.88Å; N558-V560 WeakPolarHBondContact OD1-CG2 3.29Å; N558-V560 PolarHBondContact OD1-N 3.27Å
559	P	98.5	Very high	96.6	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	17%	0.166	C	C	.	.	S	Bend	trans	-76.6	-17.6	-177.5	31.6	-36.8	0	0	0	113.9	Y557 L562 W563 V570 L572 I583	Y557-P559 VanDerWaalsContact O-CD 3.29Å; Y557-P559 WeakPolarHBondContact O-CD 3.38Å; P559-L562 PolarHBondContact O-N 2.9Å; P559-W563 HydrophobicContact CB-CD2 4.25Å; P559-W563 HydrophobicContact CB-CE3 4.24Å; P559-W563 HydrophobicContact CB-CH2 3.66Å; P559-W563 HydrophobicContact CB-CZ2 3.67Å; P559-W563 HydrophobicContact CB-CZ3 3.97Å; P559-W563 HydrophobicContact CG-CE3 4.36Å; P559-W563 HydrophobicContact CG-CH2 3.46Å; P559-W563 VanDerWaalsContact CG-CH2 3.46Å; P559-W563 HydrophobicContact CG-CZ2 4Å; P559-W563 HydrophobicContact CG-CZ3 3.68Å; P559-W563 PolarHBondContact O-N 2.9Å; P559-W563 VanDerWaalsContact O-N 3.14Å; P559-V570 HydrophobicContact CB-CG1 3.67Å; P559-L572 HydrophobicContact CB-CD1 4.43Å; P559-L572 HydrophobicContact CG-CD1 4.32Å; P559-I583 HydrophobicContact CG-CG2 4.25Å
560	V	98.6	Very high	97	Very high	4 Å²	4	23.1 Å²	23.1	2%	0.024	13%	0.133	C	C	.	.	H	α-helix	trans	-62.2	-46.9	-168.5	177	0	0	0	0	113.6	N558 L562 W563 N564 I583 Y656 G657	N558-V560 VanDerWaalsContact C-N 3.33Å; N558-V560 PolarHBondContact O-N 3.35Å; N558-V560 WeakPolarHBondContact OD1-CB 2.88Å; N558-V560 WeakPolarHBondContact OD1-CG2 3.29Å; N558-V560 PolarHBondContact OD1-N 3.27Å; V560-L562 PolarHBondContact O-N 2.73Å; V560-W563 HydrophobicContact CG2-CE3 4.22Å; V560-W563 HydrophobicContact CG2-CZ3 4.15Å; V560-W563 PolarHBondContact O-N 3.44Å; V560-N564 PolarHBondContact O-N 3.06Å; V560-N564 PolarHBondContact O-ND2 2.91Å; V560-N564 PolarHBondContact O-OD1 3.03Å; V560-I583 HydrophobicContact CG2-CG2 3.87Å; V560-Y656 HydrophobicContact CG2-CD1 4.45Å; V560-G657 WeakPolarHBondContact CG1-O 3.28Å
561	P	98.4	Very high	97.3	Very high	38 Å²	38	18.4 Å²	18.4	25%	0.247	10%	0.1	C	C	.	.	H	α-helix	trans	-58	-32.9	177.8	-25.9	36	0	0	0	113.4	N564 A565	P561-N564 PolarHBondContact O-N 3.5Å; P561-A565 PolarHBondContact O-N 3.41Å
562	L	98.8	Very high	97.6	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-77.2	-37.2	-179	-57.9	169.2	0	0	0	111.7	A523 V524 A527 I545 Y557 P559 V560 N564 A565 G566 C567 V570	A523-L562 HydrophobicContact CB-CD2 3.64Å; V524-L562 HydrophobicContact CG2-CD2 4.29Å; A527-L562 HydrophobicContact CB-CD2 4.37Å; I545-L562 HydrophobicContact CB-CD1 3.97Å; I545-L562 HydrophobicContact CG1-CD1 3.99Å; I545-L562 HydrophobicContact CG1-CD2 4.25Å; I545-L562 HydrophobicContact CG2-CD1 3.63Å; Y557-L562 HydrophobicContact CD2-CD1 3.93Å; Y557-L562 HydrophobicContact CE2-CD1 3.39Å; P559-L562 PolarHBondContact O-N 2.9Å; V560-L562 PolarHBondContact O-N 2.73Å; L562-N564 VanDerWaalsContact C-N 3.33Å; L562-A565 CarbonylContact O-C 3.57Å; L562-A565 PolarHBondContact O-N 3.43Å; L562-G566 PolarHBondContact O-N 3.19Å; L562-C567 HydrophobicContact CB-CB 4.22Å; L562-C567 VanDerWaalsContact O-CB 3.28Å; L562-C567 WeakPolarHBondContact O-CB 3.49Å; L562-C567 PolarHBondContact O-N 2.73Å; L562-C567 PolarHBondContact O-SG 2.84Å; L562-V570 HydrophobicContact CB-CG1 4.42Å; L562-V570 HydrophobicContact CB-CG2 3.93Å; L562-V570 HydrophobicContact CD1-CG1 3.86Å
563	W	98.8	Very high	97.9	Very high	1 Å²	1	12.5 Å²	12.5	0%	0.004	7%	0.07	C	C	.	.	H	α-helix	trans	-65	-38.4	169.2	-65.1	-35.3	0	0	0	111.6	F303 P559 V560 A565 G566 I583 N584 R587 F588 M603 L694	F303-W563 HydrophobicContact CD1-CB 4.32Å; F303-W563 AromaticContact CD1-CD1 3.68Å; F303-W563 HydrophobicContact CD1-CG 4.21Å; F303-W563 HydrophobicContact CE1-CB 3.84Å; F303-W563 HydrophobicContact CE1-CG 4.23Å; F303-W563 VanDerWaalsContact CE1-O 3.31Å; F303-W563 WeakPolarHBondContact CE1-O 3.44Å; F303-W563 HydrophobicContact CZ-CB 4.03Å; F303-W563 WeakPolarHBondContact CZ-O 2.85Å; P559-W563 HydrophobicContact CB-CD2 4.25Å; P559-W563 HydrophobicContact CB-CE3 4.24Å; P559-W563 HydrophobicContact CB-CH2 3.66Å; P559-W563 HydrophobicContact CB-CZ2 3.67Å; P559-W563 HydrophobicContact CB-CZ3 3.97Å; P559-W563 HydrophobicContact CG-CE3 4.36Å; P559-W563 HydrophobicContact CG-CH2 3.46Å; P559-W563 VanDerWaalsContact CG-CH2 3.46Å; P559-W563 HydrophobicContact CG-CZ2 4Å; P559-W563 HydrophobicContact CG-CZ3 3.68Å; P559-W563 PolarHBondContact O-N 2.9Å; P559-W563 VanDerWaalsContact O-N 3.14Å; V560-W563 HydrophobicContact CG2-CE3 4.22Å; V560-W563 HydrophobicContact CG2-CZ3 4.15Å; V560-W563 PolarHBondContact O-N 3.44Å; W563-A565 PolarHBondContact O-N 3.05Å; W563-G566 WeakPolarHBondContact O-CA 3.18Å; W563-G566 PolarHBondContact O-N 3.46Å; W563-I583 HydrophobicContact CH2-CG2 4.13Å; W563-I583 HydrophobicContact CZ3-CG2 3.71Å; W563-N584 HydrophobicContact CH2-CB 4.38Å; W563-R587 HydrophobicContact CH2-CB 4.03Å; W563-R587 HydrophobicContact CH2-CG 4.27Å; W563-R587 HydrophobicContact CZ2-CG 4.42Å; W563-R587 HydrophobicContact CZ3-CB 4.19Å; W563-R587 HydrophobicContact CZ3-CG 4.32Å; W563-F588 HydrophobicContact CZ2-CE2 4.25Å; W563-M603 WeakPolarHBondContact O-CE 3.44Å; W563-L694 HydrophobicContact CZ3-CD1 4.32Å
564	N	98.6	Very high	98.1	Very high	5 Å²	5	9.2 Å²	9.2	3%	0.027	5%	0.051	C	C	.	.	H	α-helix	trans	-62.2	-27.9	173.3	-63.7	-18.7	0	0	0	112.3	V560 P561 L562 G566 M603 P612 G657	V560-N564 PolarHBondContact O-N 3.06Å; V560-N564 PolarHBondContact O-ND2 2.91Å; V560-N564 PolarHBondContact O-OD1 3.03Å; P561-N564 PolarHBondContact O-N 3.5Å; L562-N564 VanDerWaalsContact C-N 3.33Å; N564-G566 VanDerWaalsContact C-N 3.31Å; N564-M603 WeakPolarHBondContact O-CE 3.38Å; N564-P612 HydrophobicContact CB-CB 4Å; N564-P612 HydrophobicContact CB-CG 4.15Å; N564-G657 PolarHBondContact ND2-O 2.83Å
565	A	98.4	Very high	97.9	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	3.1	172.3	0	0	0	0	0	114	A527 Y534 I535 N538 P561 L562 W563	A527-A565 HydrophobicContact CB-CB 3.86Å; Y534-A565 HydrophobicContact CD1-CB 3.89Å; Y534-A565 HydrophobicContact CG-CB 4.19Å; I535-A565 WeakPolarHBondContact CA-O 3.3Å; I535-A565 WeakPolarHBondContact CG1-O 3.45Å; I535-A565 PolarHBondContact N-O 3.13Å; N538-A565 PolarHBondContact ND2-O 2.98Å; P561-A565 PolarHBondContact O-N 3.41Å; L562-A565 CarbonylContact O-C 3.57Å; L562-A565 PolarHBondContact O-N 3.43Å; W563-A565 PolarHBondContact O-N 3.05Å
566	G	98.4	Very high	97.8	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.9	8.7	175.5	0	0	0	0	0	115.9	N538 L562 W563 N564 K599	N538-G566 VanDerWaalsContact CB-O 3.3Å; N538-G566 WeakPolarHBondContact CB-O 2.93Å; L562-G566 PolarHBondContact O-N 3.19Å; W563-G566 WeakPolarHBondContact O-CA 3.18Å; W563-G566 PolarHBondContact O-N 3.46Å; N564-G566 VanDerWaalsContact C-N 3.31Å; G566-K599 PolarHBondContact O-NZ 2.84Å
567	C	98.9	Very high	97.5	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.066	C	C	.	.			trans	-65.8	131.6	179.7	-59.7	0	0	0	0	111	F303 N538 I545 L562 V570	F303-C567 WeakPolarHBondContact CD1-O 3.48Å; N538-C567 PolarHBondContact ND2-N 3.44Å; N538-C567 PolarHBondContact ND2-SG 2.91Å; N538-C567 VanDerWaalsContact ND2-SG 3.41Å; I545-C567 HydrophobicContact CD1-CB 3.52Å; L562-C567 HydrophobicContact CB-CB 4.22Å; L562-C567 VanDerWaalsContact O-CB 3.28Å; L562-C567 WeakPolarHBondContact O-CB 3.49Å; L562-C567 PolarHBondContact O-N 2.73Å; L562-C567 PolarHBondContact O-SG 2.84Å; C567-V570 HydrophobicContact CB-CG2 4Å
568	Q	98.9	Very high	97.3	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.074	C	C	.	.	S	Bend	trans	-89	-44.2	-171.3	-55.6	88.9	-15.5	0	0	112.2	N300 Y302 I304 N538 K541 L542	N300-Q568 WeakPolarHBondContact O-CG 3.3Å; N300-Q568 PolarHBondContact O-NE2 3.4Å; Y302-Q568 VanDerWaalsContact O-CB 3.25Å; Y302-Q568 WeakPolarHBondContact O-CB 3.4Å; Y302-Q568 WeakPolarHBondContact O-CG 3.22Å; I304-Q568 WeakPolarHBondContact CA-O 3.32Å; I304-Q568 HydrophobicContact CD1-CB 4.15Å; I304-Q568 HydrophobicContact CG1-CB 4.19Å; I304-Q568 PolarHBondContact N-O 3.23Å; N538-Q568 PolarHBondContact O-NE2 2.84Å; N538-Q568 PolarHBondContact OD1-OE1 3.36Å; K541-Q568 PolarHBondContact O-NE2 3.35Å; L542-Q568 HydrophobicContact CD2-CB 3.93Å; L542-Q568 HydrophobicContact CD2-CG 3.83Å
569	I	98.9	Very high	97.3	Very high	2 Å²	2	11.4 Å²	11.4	1%	0.01	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	77.6	-171.8	-55.9	173.8	0	0	0	108.6	I304 S306 C336 I383 M515 S543 R544 I545 A571	I304-I569 HydrophobicContact CB-CG1 4.43Å; I304-I569 HydrophobicContact CD1-CG1 4.13Å; S306-I569 WeakPolarHBondContact OG-CG2 3.48Å; C336-I569 HydrophobicContact CB-CG2 4.13Å; I383-I569 HydrophobicContact CD1-CD1 3.89Å; M515-I569 HydrophobicContact CE-CD1 3.81Å; S543-I569 PolarHBondContact O-N 2.78Å; S543-I569 VanDerWaalsContact O-N 3.16Å; R544-I569 CarbonylContact C-O 3.6Å; R544-I569 VanDerWaalsContact CA-O 3.3Å; R544-I569 WeakPolarHBondContact CA-O 3.02Å; R544-I569 HydrophobicContact CB-CB 4.11Å; R544-I569 HydrophobicContact CB-CG2 4.04Å; R544-I569 HydrophobicContact CG-CB 4.33Å; R544-I569 HydrophobicContact CG-CG2 3.75Å; I545-I569 PolarHBondContact N-O 3.3Å; I569-A571 PolarHBondContact O-N 3.24Å
570	V	98.8	Very high	97.2	Very high	1 Å²	1	13.6 Å²	13.6	1%	0.006	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	90.5	177.8	-175.3	0	0	0	0	108.2	I545 Y557 P559 L562 C567	I545-V570 HydrophobicContact CD1-CG2 4.49Å; Y557-V570 HydrophobicContact CE2-CG1 3.62Å; Y557-V570 WeakPolarHBondContact OH-CG1 3.36Å; P559-V570 HydrophobicContact CB-CG1 3.67Å; L562-V570 HydrophobicContact CB-CG1 4.42Å; L562-V570 HydrophobicContact CB-CG2 3.93Å; L562-V570 HydrophobicContact CD1-CG1 3.86Å; C567-V570 HydrophobicContact CB-CG2 4Å
571	A	98.7	Very high	97.2	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	129.8	-169.4	0	0	0	0	0	112.4	S306 H308 I545 Y557 I569	S306-A571 WeakPolarHBondContact O-CA 3.29Å; H308-A571 HydrophobicContact CB-CB 3.96Å; I545-A571 VanDerWaalsContact O-CB 3.23Å; I545-A571 WeakPolarHBondContact O-CB 3.3Å; I545-A571 PolarHBondContact O-N 3.24Å; Y557-A571 WeakPolarHBondContact CE1-O 3.45Å; Y557-A571 PolarHBondContact OH-N 3.24Å; Y557-A571 PolarHBondContact OH-O 3.25Å; I569-A571 PolarHBondContact O-N 3.24Å
572	L	98.6	Very high	97.2	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	155.8	-178.6	-58.8	177.8	0	0	0	111.9	S306 S307 H308 N556 Y557 P559 F574 L581 N584	S306-L572 PolarHBondContact O-N 2.9Å; S306-L572 VanDerWaalsContact O-N 3.08Å; S307-L572 WeakPolarHBondContact CA-O 3.16Å; H308-L572 PolarHBondContact N-O 2.92Å; N556-L572 HydrophobicContact CB-CD2 4.17Å; N556-L572 WeakPolarHBondContact OD1-CA 3.47Å; N556-L572 WeakPolarHBondContact OD1-CB 3.48Å; Y557-L572 HydrophobicContact CD1-CD2 4.43Å; Y557-L572 HydrophobicContact CE1-CD2 3.96Å; Y557-L572 HydrophobicContact CE2-CD2 4.06Å; P559-L572 HydrophobicContact CB-CD1 4.43Å; P559-L572 HydrophobicContact CG-CD1 4.32Å; L572-F574 WeakPolarHBondContact O-CD2 3.38Å; L572-F574 PolarHBondContact O-N 2.86Å; L572-L581 HydrophobicContact CB-CD2 3.83Å; L572-L581 HydrophobicContact CD1-CD2 4.09Å; L572-N584 HydrophobicContact CD1-CB 3.77Å
573	N	98	Very high	97.1	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.005	7%	0.074	C	C	.	.			trans	-76	97.8	172.6	-67.3	-46.7	0	0	0	110.2	H308 Q316 S554 S555 N556 Q575 T576 L581	H308-N573 PolarHBondContact ND1-OD1 3.16Å; Q316-N573 PolarHBondContact NE2-OD1 3.25Å; S554-N573 VanDerWaalsContact O-CB 3.29Å; S554-N573 WeakPolarHBondContact O-CB 3.32Å; S554-N573 PolarHBondContact O-ND2 3.05Å; S555-N573 PolarHBondContact O-ND2 3.42Å; N556-N573 PolarHBondContact ND2-O 3.26Å; N556-N573 VanDerWaalsContact ND2-O 3.14Å; N556-N573 PolarHBondContact OD1-N 2.91Å; N573-Q575 VanDerWaalsContact C-N 3.26Å; N573-Q575 PolarHBondContact O-N 3.26Å; N573-T576 PolarHBondContact O-N 2.96Å; N573-L581 WeakPolarHBondContact O-CD2 3.38Å
574	F	95.9	Very high	97.1	Very high	32 Å²	32	13 Å²	13	14%	0.14	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-19.3	-173.9	-90.4	-134.5	0	0	0	114.5	N305 S306 A329 K332 C334 L572 T576 L581	N305-F574 WeakPolarHBondContact OD1-CZ 3.29Å; S306-F574 VanDerWaalsContact O-CE2 3.29Å; S306-F574 WeakPolarHBondContact O-CE2 3.04Å; A329-F574 HydrophobicContact CB-CD1 3.96Å; A329-F574 HydrophobicContact CB-CE1 4.29Å; K332-F574 HydrophobicContact CB-CE1 4.43Å; C334-F574 HydrophobicContact CB-CE1 3.82Å; C334-F574 HydrophobicContact CB-CZ 3.97Å; L572-F574 WeakPolarHBondContact O-CD2 3.38Å; L572-F574 PolarHBondContact O-N 2.86Å; F574-T576 PolarHBondContact O-N 3.37Å; F574-L581 HydrophobicContact CD2-CD1 4.01Å; F574-L581 HydrophobicContact CE2-CD1 4.23Å; F574-L581 HydrophobicContact CG-CD1 4.28Å
575	Q	91.3	Very high	97.1	Very high	28 Å²	28	15.2 Å²	15.2	13%	0.131	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-13.8	177.2	73.9	-79.5	24.8	0	0	113	R102 E314 S554 N573	R102-Q575 PolarHBondContact NE-O 2.9Å; R102-Q575 PolarHBondContact NH2-O 3.46Å; E314-Q575 VanDerWaalsContact O-CG 3.29Å; E314-Q575 WeakPolarHBondContact O-CG 3.42Å; E314-Q575 PolarHBondContact O-NE2 3.26Å; S554-Q575 PolarHBondContact OG-NE2 3.48Å; N573-Q575 VanDerWaalsContact C-N 3.26Å; N573-Q575 PolarHBondContact O-N 3.26Å
576	T	93.3	Very high	97.1	Very high	19 Å²	19	15.3 Å²	15.3	12%	0.117	9%	0.086	C	C	.	.	S	Bend	trans	-100	108.5	-178	-55.9	0	0	0	0	110.8	S554 N573 F574 C578	S554-T576 WeakPolarHBondContact CB-OG1 3.5Å; S554-T576 VanDerWaalsContact O-CB 3.22Å; S554-T576 WeakPolarHBondContact O-CB 3.47Å; S554-T576 PolarHBondContact O-OG1 3.35Å; N573-T576 PolarHBondContact O-N 2.96Å; F574-T576 PolarHBondContact O-N 3.37Å; T576-C578 HydrophobicContact CG2-CB 4.33Å; T576-C578 PolarHBondContact O-N 3.18Å; T576-C578 PolarHBondContact O-SG 2.84Å
577	A	91.4	Very high	97.1	Very high	36 Å²	36	15.6 Å²	15.6	30%	0.298	9%	0.087	S	C	.	.			trans	-70	108.6	171.9	0	0	0	0	0	109.9	R733	A577-R733 HydrophobicContact CB-CG 4.02Å; A577-R733 WeakPolarHBondContact CB-O 3.48Å
578	C	94.4	Very high	97	Very high	28 Å²	28	16 Å²	16	19%	0.189	9%	0.089	C	C	.	.	S	Bend	trans	-158.9	168.1	-174.4	56.3	0	0	0	0	111.3	N556 T576 E580 L581 D582	N556-C578 PolarHBondContact ND2-SG 3.02Å; N556-C578 VanDerWaalsContact ND2-SG 3.38Å; T576-C578 HydrophobicContact CG2-CB 4.33Å; T576-C578 PolarHBondContact O-N 3.18Å; T576-C578 PolarHBondContact O-SG 2.84Å; C578-E580 VanDerWaalsContact C-N 3.26Å; C578-E580 WeakPolarHBondContact CB-OE2 3.14Å; C578-E580 PolarHBondContact O-N 3.47Å; C578-L581 PolarHBondContact O-N 2.87Å; C578-L581 VanDerWaalsContact O-N 3.12Å; C578-D582 PolarHBondContact O-N 2.64Å; C578-D582 VanDerWaalsContact O-N 3.13Å
579	T	97.1	Very high	96.9	Very high	45 Å²	45	17.4 Å²	17.4	28%	0.276	10%	0.096	S	C	.	.	H	α-helix	trans	-55.9	-38.4	178.8	-63.5	0	0	0	0	112.5	L581 D582 I583 R696	T579-L581 VanDerWaalsContact C-N 3.27Å; T579-L581 PolarHBondContact O-N 3.37Å; T579-D582 WeakPolarHBondContact O-CB 3.45Å; T579-D582 PolarHBondContact O-N 2.91Å; T579-D582 VanDerWaalsContact O-N 3.15Å; T579-I583 HydrophobicContact CG2-CD1 3.8Å; T579-I583 HydrophobicContact CG2-CG1 4.33Å; T579-I583 VanDerWaalsContact O-CG1 3.27Å; T579-I583 WeakPolarHBondContact O-CG1 3.49Å; T579-I583 PolarHBondContact O-N 2.88Å; T579-R696 PolarHBondContact OG1-NH2 3.31Å
580	E	97.9	Very high	96.9	Very high	45 Å²	45	17.5 Å²	17.5	21%	0.21	10%	0.097	C	C	.	.	H	α-helix	trans	-63.9	-35.8	-179.4	-65.1	65.7	-144.9	0	0	111.6	N556 Y557 C578 N584	N556-E580 HydrophobicContact CB-CB 3.65Å; N556-E580 HydrophobicContact CB-CG 3.86Å; Y557-E580 VanDerWaalsContact O-CG 3.24Å; Y557-E580 WeakPolarHBondContact O-CG 3.4Å; C578-E580 VanDerWaalsContact C-N 3.26Å; C578-E580 WeakPolarHBondContact CB-OE2 3.14Å; C578-E580 PolarHBondContact O-N 3.47Å; E580-N584 WeakPolarHBondContact O-CB 3.2Å; E580-N584 PolarHBondContact O-N 3.27Å
581	L	97.1	Very high	96.8	Very high	19 Å²	19	17.5 Å²	17.5	10%	0.099	10%	0.097	C	C	.	.	H	α-helix	trans	-74.9	-33.3	175	-103	-62.8	0	0	0	112.4	N556 L572 N573 F574 C578 T579 I583 N584 Q585	N556-L581 WeakPolarHBondContact ND2-CD2 3.48Å; L572-L581 HydrophobicContact CB-CD2 3.83Å; L572-L581 HydrophobicContact CD1-CD2 4.09Å; N573-L581 WeakPolarHBondContact O-CD2 3.38Å; F574-L581 HydrophobicContact CD2-CD1 4.01Å; F574-L581 HydrophobicContact CE2-CD1 4.23Å; F574-L581 HydrophobicContact CG-CD1 4.28Å; C578-L581 PolarHBondContact O-N 2.87Å; C578-L581 VanDerWaalsContact O-N 3.12Å; T579-L581 VanDerWaalsContact C-N 3.27Å; T579-L581 PolarHBondContact O-N 3.37Å; L581-I583 VanDerWaalsContact C-N 3.33Å; L581-N584 PolarHBondContact O-N 3.16Å; L581-Q585 WeakPolarHBondContact O-CB 3.44Å; L581-Q585 PolarHBondContact O-N 2.96Å
582	D	97.9	Very high	96.6	Very high	8 Å²	8	18.4 Å²	18.4	4%	0.043	11%	0.106	C	C	.	.	H	α-helix	trans	-60	-47	171.6	-65.1	-27.8	0	0	0	110.7	C578 T579 Q585 G586 R696 Q713	C578-D582 PolarHBondContact O-N 2.64Å; C578-D582 VanDerWaalsContact O-N 3.13Å; T579-D582 WeakPolarHBondContact O-CB 3.45Å; T579-D582 PolarHBondContact O-N 2.91Å; T579-D582 VanDerWaalsContact O-N 3.15Å; D582-Q585 PolarHBondContact O-N 3.04Å; D582-G586 PolarHBondContact O-N 2.87Å; D582-R696 IonicContact OD2-CZ 2.69Å; D582-R696 IonicContact OD2-NE 3.81Å; D582-R696 IonicContact OD2-NH2 2.67Å; D582-R696 PolarHBondContact OD2-NH2 2.98Å; D582-Q713 HydrophobicContact CB-CG 4.24Å; D582-Q713 VanDerWaalsContact CB-NE2 3.27Å; D582-Q713 PolarHBondContact OD1-NE2 2.92Å; D582-Q713 WeakPolarHBondContact OD2-CG 2.94Å
583	I	98.5	Very high	96.5	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.005	12%	0.12	C	C	.	.	H	α-helix	trans	-62.7	-44.9	177.5	-68	168.9	0	0	0	110.6	P559 V560 W563 T579 L581 G586 R587 Y656 L694	P559-I583 HydrophobicContact CG-CG2 4.25Å; V560-I583 HydrophobicContact CG2-CG2 3.87Å; W563-I583 HydrophobicContact CH2-CG2 4.13Å; W563-I583 HydrophobicContact CZ3-CG2 3.71Å; T579-I583 HydrophobicContact CG2-CD1 3.8Å; T579-I583 HydrophobicContact CG2-CG1 4.33Å; T579-I583 VanDerWaalsContact O-CG1 3.27Å; T579-I583 WeakPolarHBondContact O-CG1 3.49Å; T579-I583 PolarHBondContact O-N 2.88Å; L581-I583 VanDerWaalsContact C-N 3.33Å; I583-G586 PolarHBondContact O-N 3.4Å; I583-R587 PolarHBondContact O-N 2.89Å; I583-Y656 HydrophobicContact CD1-CD1 3.73Å; I583-Y656 HydrophobicContact CD1-CD2 4.26Å; I583-Y656 HydrophobicContact CD1-CE1 3.51Å; I583-Y656 HydrophobicContact CD1-CE2 4.06Å; I583-Y656 HydrophobicContact CD1-CG 4.11Å; I583-Y656 HydrophobicContact CG1-CD2 4.4Å; I583-Y656 HydrophobicContact CG1-CE2 4.31Å; I583-L694 HydrophobicContact CG2-CD1 3.58Å
584	N	98.6	Very high	96.3	Very high	4 Å²	4	21.2 Å²	21.2	2%	0.021	12%	0.121	C	C	.	.	H	α-helix	trans	-60.4	-46.8	175.1	-176	74.6	0	0	0	112	N305 W563 L572 E580 L581 G586 R587 F588	N305-N584 PolarHBondContact OD1-ND2 2.89Å; W563-N584 HydrophobicContact CH2-CB 4.38Å; L572-N584 HydrophobicContact CD1-CB 3.77Å; E580-N584 WeakPolarHBondContact O-CB 3.2Å; E580-N584 PolarHBondContact O-N 3.27Å; L581-N584 PolarHBondContact O-N 3.16Å; N584-G586 VanDerWaalsContact C-N 3.3Å; N584-G586 PolarHBondContact O-N 3.36Å; N584-R587 PolarHBondContact O-N 2.89Å; N584-F588 VanDerWaalsContact O-CD2 3.28Å; N584-F588 WeakPolarHBondContact O-CD2 3.31Å; N584-F588 PolarHBondContact O-N 3.44Å; N584-F588 VanDerWaalsContact O-N 3.1Å; N584-F588 WeakPolarHBondContact OD1-CD2 3.28Å; N584-F588 VanDerWaalsContact OD1-CE2 3.31Å; N584-F588 WeakPolarHBondContact OD1-CE2 3.33Å
585	Q	97.5	Very high	96.5	Very high	50 Å²	50	19.8 Å²	19.8	23%	0.234	12%	0.115	C	C	.	.	H	α-helix	trans	-60.6	-40.4	176.4	-178.8	170.3	-4.9	0	0	111.7	L581 D582 F588 L589 G735	L581-Q585 WeakPolarHBondContact O-CB 3.44Å; L581-Q585 PolarHBondContact O-N 2.96Å; D582-Q585 PolarHBondContact O-N 3.04Å; Q585-F588 CarbonylContact O-C 3.51Å; Q585-F588 PolarHBondContact O-N 3.04Å; Q585-L589 PolarHBondContact O-N 3.33Å; Q585-G735 PolarHBondContact NE2-O 2.62Å
586	G	98	Very high	96.8	Very high	2 Å²	2	18.5 Å²	18.5	2%	0.021	11%	0.109	C	C	.	.	H	α-helix	trans	-65	-44.6	176.2	0	0	0	0	0	113.3	D582 I583 N584 F588 L589 T715 P717	D582-G586 PolarHBondContact O-N 2.87Å; I583-G586 PolarHBondContact O-N 3.4Å; N584-G586 VanDerWaalsContact C-N 3.3Å; N584-G586 PolarHBondContact O-N 3.36Å; G586-F588 VanDerWaalsContact C-N 3.31Å; G586-F588 PolarHBondContact O-N 3.45Å; G586-L589 VanDerWaalsContact O-CB 3.29Å; G586-L589 WeakPolarHBondContact O-CB 3.22Å; G586-L589 PolarHBondContact O-N 3.09Å; G586-T715 WeakPolarHBondContact CA-O 3.47Å; G586-P717 WeakPolarHBondContact O-CD 3.4Å
587	R	98.4	Very high	97.1	Very high	7 Å²	7	18.2 Å²	18.2	3%	0.026	11%	0.107	C	C	.	.	H	α-helix	trans	-57.7	-44	176.2	-177.7	72.4	71.7	-168.4	-1.4	111.6	W563 I583 N584 L692 L694	W563-R587 HydrophobicContact CH2-CB 4.03Å; W563-R587 HydrophobicContact CH2-CG 4.27Å; W563-R587 HydrophobicContact CZ2-CG 4.42Å; W563-R587 HydrophobicContact CZ3-CB 4.19Å; W563-R587 HydrophobicContact CZ3-CG 4.32Å; I583-R587 PolarHBondContact O-N 2.89Å; N584-R587 PolarHBondContact O-N 2.89Å; R587-L692 PolarHBondContact NH1-O 3.5Å; R587-L692 PolarHBondContact NH2-O 3.08Å; R587-L694 HydrophobicContact CB-CD1 4.39Å; R587-L694 HydrophobicContact CB-CD2 4.41Å
588	F	98.5	Very high	97.4	Very high	9 Å²	9	18 Å²	18	4%	0.039	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	12.5	-177.2	-67	-72.1	0	0	0	114.3	F303 I304 N305 W563 N584 Q585 G586 V590 G595 V597	F303-F588 HydrophobicContact CB-CE1 4.29Å; F303-F588 HydrophobicContact CB-CZ 4.08Å; F303-F588 WeakPolarHBondContact O-CE1 3.39Å; I304-F588 VanDerWaalsContact C-CZ 3.4Å; N305-F588 VanDerWaalsContact CA-CZ 3.46Å; N305-F588 HydrophobicContact CB-CB 4.47Å; N305-F588 HydrophobicContact CB-CD1 3.78Å; N305-F588 HydrophobicContact CB-CD2 3.65Å; N305-F588 HydrophobicContact CB-CE1 3.85Å; N305-F588 HydrophobicContact CB-CE2 3.74Å; N305-F588 HydrophobicContact CB-CG 3.7Å; N305-F588 HydrophobicContact CB-CZ 3.85Å; W563-F588 HydrophobicContact CZ2-CE2 4.25Å; N584-F588 VanDerWaalsContact O-CD2 3.28Å; N584-F588 WeakPolarHBondContact O-CD2 3.31Å; N584-F588 PolarHBondContact O-N 3.44Å; N584-F588 VanDerWaalsContact O-N 3.1Å; N584-F588 WeakPolarHBondContact OD1-CD2 3.28Å; N584-F588 VanDerWaalsContact OD1-CE2 3.31Å; N584-F588 WeakPolarHBondContact OD1-CE2 3.33Å; Q585-F588 CarbonylContact O-C 3.51Å; Q585-F588 PolarHBondContact O-N 3.04Å; G586-F588 VanDerWaalsContact C-N 3.31Å; G586-F588 PolarHBondContact O-N 3.45Å; F588-V590 VanDerWaalsContact C-N 3.29Å; F588-G595 WeakPolarHBondContact CE1-O 3.44Å; F588-V597 HydrophobicContact CD1-CG2 3.75Å; F588-V597 HydrophobicContact CE1-CB 4.47Å; F588-V597 HydrophobicContact CE1-CG2 4.03Å
589	L	96.8	Very high	97.6	Very high	29 Å²	29	16.8 Å²	16.8	15%	0.152	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-30.3	175.3	-180	63.7	0	0	0	112.4	F284 Q585 G586 M593 Y714 L716	F284-L589 HydrophobicContact CD2-CD2 3.79Å; F284-L589 HydrophobicContact CD2-CG 4.45Å; F284-L589 HydrophobicContact CE2-CD2 3.8Å; F284-L589 HydrophobicContact CE2-CG 4Å; F284-L589 HydrophobicContact CG-CD2 4.41Å; F284-L589 HydrophobicContact CZ-CD2 4.44Å; F284-L589 HydrophobicContact CZ-CG 4.24Å; Q585-L589 PolarHBondContact O-N 3.33Å; G586-L589 VanDerWaalsContact O-CB 3.29Å; G586-L589 WeakPolarHBondContact O-CB 3.22Å; G586-L589 PolarHBondContact O-N 3.09Å; L589-M593 VanDerWaalsContact O-CG 3.27Å; L589-M593 WeakPolarHBondContact O-CG 3.08Å; L589-Y714 HydrophobicContact CD2-CE2 4.45Å; L589-Y714 WeakPolarHBondContact CD2-OH 3.12Å; L589-L716 HydrophobicContact CD2-CB 4.18Å
590	V	97.5	Very high	97.7	Very high	4 Å²	4	15 Å²	15	2%	0.024	8%	0.082	C	C	.	.	S	Bend	trans	-83.4	176	-176.4	-62.4	0	0	0	0	112.5	F284 H288 Y292 F588 G592 M593 V597 P717 S720	F284-V590 HydrophobicContact CE2-CG1 3.73Å; F284-V590 HydrophobicContact CZ-CG1 3.99Å; H288-V590 HydrophobicContact CB-CB 4.39Å; H288-V590 HydrophobicContact CB-CG1 4.09Å; H288-V590 CarbonylContact O-C 3.59Å; H288-V590 WeakPolarHBondContact O-CA 3.48Å; Y292-V590 HydrophobicContact CE1-CB 4.14Å; F588-V590 VanDerWaalsContact C-N 3.29Å; V590-G592 PolarHBondContact O-N 2.83Å; V590-M593 PolarHBondContact O-N 3.49Å; V590-M593 VanDerWaalsContact O-N 3.09Å; V590-V597 HydrophobicContact CG2-CG1 4.5Å; V590-V597 HydrophobicContact CG2-CG2 3.96Å; V590-P717 HydrophobicContact CG1-CG 3.79Å; V590-P717 HydrophobicContact CG2-CG 4.48Å; V590-S720 VanDerWaalsContact CG1-OG 3.29Å; V590-S720 WeakPolarHBondContact CG1-OG 3.16Å
591	N	97.6	Very high	97.7	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	59.2	50.9	167.9	-160.8	42.5	0	0	0	112.5	H288 Q290 V291 Y292 Q293 M295 M593 G594 Y596	H288-N591 PolarHBondContact O-N 2.76Å; Q290-N591 CarbonylContact O-C 3.5Å; Q290-N591 VanDerWaalsContact O-CA 3.31Å; Q290-N591 WeakPolarHBondContact O-CA 3.4Å; V291-N591 WeakPolarHBondContact CA-OD1 3.25Å; Y292-N591 HydrophobicContact CD1-CB 4.29Å; Y292-N591 HydrophobicContact CE1-CB 4.06Å; Y292-N591 PolarHBondContact N-OD1 3.13Å; Y292-N591 VanDerWaalsContact N-OD1 3.08Å; Q293-N591 HydrophobicContact CG-CB 4.45Å; Q293-N591 PolarHBondContact N-OD1 2.9Å; M295-N591 PolarHBondContact SD-ND2 3.45Å; N591-M593 PolarHBondContact O-N 3.34Å; N591-G594 PolarHBondContact O-N 3.39Å; N591-G594 VanDerWaalsContact O-N 3.13Å; N591-Y596 PolarHBondContact ND2-O 3.14Å
592	G	94.7	Very high	97.7	Very high	19 Å²	19	15.6 Å²	15.6	20%	0.196	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	75.2	2.1	-178.6	0	0	0	0	0	114.8	K289 Q290 V590 G594	K289-G592 WeakPolarHBondContact O-CA 3.41Å; K289-G592 PolarHBondContact O-N 3.43Å; Q290-G592 VanDerWaalsContact C-N 3.32Å; Q290-G592 PolarHBondContact O-N 2.97Å; Q290-G592 VanDerWaalsContact O-N 3.16Å; V590-G592 PolarHBondContact O-N 2.83Å; G592-G594 PolarHBondContact O-N 3.39Å
593	M	95.1	Very high	97.7	Very high	58 Å²	58	15.2 Å²	15.2	29%	0.286	9%	0.091	S	C	.	.	G	3₁₀ helix	trans	51.3	35.6	-159.9	-54.5	174.3	72.7	0	0	111.4	L589 V590 N591 G595	L589-M593 VanDerWaalsContact O-CG 3.27Å; L589-M593 WeakPolarHBondContact O-CG 3.08Å; V590-M593 PolarHBondContact O-N 3.49Å; V590-M593 VanDerWaalsContact O-N 3.09Å; N591-M593 PolarHBondContact O-N 3.34Å; M593-G595 PolarHBondContact O-N 3.22Å
594	G	95.7	Very high	97.6	Very high	3 Å²	3	18.1 Å²	18.1	3%	0.031	10%	0.102	C	C	.	.			trans	-71.5	-11.6	-174	0	0	0	0	0	114	R335 S378 N591 G592 Y596	R335-G594 WeakPolarHBondContact CD-O 3.34Å; R335-G594 WeakPolarHBondContact CG-O 3.44Å; S378-G594 WeakPolarHBondContact CB-O 3.24Å; S378-G594 WeakPolarHBondContact OG-CA 3.4Å; S378-G594 PolarHBondContact OG-O 2.85Å; N591-G594 PolarHBondContact O-N 3.39Å; N591-G594 VanDerWaalsContact O-N 3.13Å; G592-G594 PolarHBondContact O-N 3.39Å; G594-Y596 VanDerWaalsContact C-N 3.31Å
595	G	98.2	Very high	97.5	Very high	2 Å²	2	21.8 Å²	21.8	2%	0.021	12%	0.121	C	C	.	.	S	Bend	trans	81.7	7.2	-176.1	0	0	0	0	0	114.8	I304 N305 G333 F588 M593	I304-G595 WeakPolarHBondContact CA-O 3.21Å; N305-G595 PolarHBondContact N-O 3.26Å; G333-G595 WeakPolarHBondContact O-CA 3.44Å; F588-G595 WeakPolarHBondContact CE1-O 3.44Å; M593-G595 PolarHBondContact O-N 3.22Å
596	Y	98.8	Very high	97.4	Very high	1 Å²	1	22.1 Å²	22.1	0%	0.004	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	127.6	174.2	-71.9	-89.1	0	0	0	109.4	M295 L299 Y302 F303 I304 R335 Y380 P381 P426 N591 G594	M295-Y596 HydrophobicContact CE-CG 4.43Å; L299-Y596 HydrophobicContact CD1-CD1 4.4Å; L299-Y596 HydrophobicContact CD1-CE1 3.52Å; Y302-Y596 HydrophobicContact CG-CD1 4.24Å; F303-Y596 WeakPolarHBondContact O-CA 3.29Å; I304-Y596 HydrophobicContact CB-CE1 4.32Å; I304-Y596 HydrophobicContact CD1-CD1 4.5Å; I304-Y596 HydrophobicContact CD1-CE1 3.8Å; I304-Y596 HydrophobicContact CG1-CD1 3.91Å; I304-Y596 HydrophobicContact CG1-CE1 3.62Å; I304-Y596 HydrophobicContact CG2-CE1 3.92Å; R335-Y596 HydrophobicContact CB-CD2 4.47Å; R335-Y596 HydrophobicContact CB-CE2 3.7Å; R335-Y596 HydrophobicContact CG-CD2 3.81Å; R335-Y596 HydrophobicContact CG-CE2 3.38Å; Y380-Y596 HydrophobicContact CG-CD2 4.09Å; P381-Y596 HydrophobicContact CG-CE2 4.31Å; P381-Y596 WeakPolarHBondContact O-CE2 3.22Å; P381-Y596 PolarHBondContact O-OH 3.33Å; P426-Y596 HydrophobicContact CG-CD1 4.05Å; P426-Y596 HydrophobicContact CG-CE1 4.38Å; P426-Y596 HydrophobicContact CG-CG 4.44Å; N591-Y596 PolarHBondContact ND2-O 3.14Å; G594-Y596 VanDerWaalsContact C-N 3.31Å
597	V	98.8	Very high	97.2	Very high	12 Å²	12	25.3 Å²	25.3	7%	0.073	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	120.7	175.3	177.1	0	0	0	0	108	Y302 F303 F588 V590 K599	Y302-V597 CarbonylContact C-O 3.57Å; Y302-V597 VanDerWaalsContact CA-O 3.26Å; Y302-V597 WeakPolarHBondContact CA-O 3.47Å; F303-V597 HydrophobicContact CB-CB 4.48Å; F303-V597 HydrophobicContact CD2-CG1 4.48Å; F303-V597 PolarHBondContact N-O 2.96Å; F303-V597 PolarHBondContact O-N 3.1Å; F588-V597 HydrophobicContact CD1-CG2 3.75Å; F588-V597 HydrophobicContact CE1-CB 4.47Å; F588-V597 HydrophobicContact CE1-CG2 4.03Å; V590-V597 HydrophobicContact CG2-CG1 4.5Å; V590-V597 HydrophobicContact CG2-CG2 3.96Å; V597-K599 PolarHBondContact O-N 3.11Å
598	L	98.9	Very high	97	Very high	31 Å²	31	25.2 Å²	25.2	16%	0.162	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	132.2	-178.8	-174.6	66	0	0	0	110	Q293 D294 Q297 H301 Y302	Q293-L598 HydrophobicContact CB-CB 4.2Å; D294-L598 HydrophobicContact CB-CD2 4.25Å; Q297-L598 HydrophobicContact CB-CD1 3.86Å; Q297-L598 HydrophobicContact CG-CD1 3.78Å; Q297-L598 HydrophobicContact CG-CD2 4.45Å; H301-L598 HydrophobicContact CB-CD1 4.25Å; Y302-L598 HydrophobicContact CD1-CB 3.99Å; Y302-L598 HydrophobicContact CD1-CD1 4.01Å; Y302-L598 HydrophobicContact CE1-CB 3.96Å; Y302-L598 HydrophobicContact CE1-CD1 3.64Å; Y302-L598 HydrophobicContact CE1-CG 4.38Å; Y302-L598 HydrophobicContact CE2-CD1 4.25Å; Y302-L598 HydrophobicContact CG-CD1 4.46Å
599	K	98.8	Very high	96.9	Very high	3 Å²	3	29.7 Å²	29.7	1%	0.013	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-67.8	149.2	174.9	-68.2	-171.3	-70.6	176.4	0	110.4	N300 H301 F303 N538 G566 V597 M603 R604	N300-K599 WeakPolarHBondContact O-CE 3.41Å; N300-K599 PolarHBondContact O-NZ 3.35Å; H301-K599 VanDerWaalsContact O-CB 3.24Å; H301-K599 WeakPolarHBondContact O-CB 3.31Å; H301-K599 VanDerWaalsContact O-CG 3.31Å; H301-K599 WeakPolarHBondContact O-CG 3.38Å; H301-K599 PolarHBondContact O-N 2.88Å; F303-K599 HydrophobicContact CD1-CD 4.24Å; F303-K599 HydrophobicContact CD1-CG 4Å; F303-K599 HydrophobicContact CD2-CG 4.17Å; F303-K599 HydrophobicContact CE1-CD 3.84Å; F303-K599 HydrophobicContact CE1-CG 3.76Å; F303-K599 HydrophobicContact CE2-CG 3.94Å; F303-K599 HydrophobicContact CG-CG 4.21Å; F303-K599 HydrophobicContact CZ-CD 4.17Å; F303-K599 HydrophobicContact CZ-CG 3.74Å; N538-K599 PolarHBondContact O-NZ 3.43Å; G566-K599 PolarHBondContact O-NZ 2.84Å; V597-K599 PolarHBondContact O-N 3.11Å; K599-M603 HydrophobicContact CB-CB 4.15Å; K599-R604 HydrophobicContact CB-CG 4.03Å; K599-R604 WeakPolarHBondContact O-CD 3.35Å; K599-R604 PolarHBondContact O-NE 3.39Å
600	P	98.2	Very high	96.9	Very high	8 Å²	8	28.3 Å²	28.3	5%	0.052	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-52.1	151.1	173	-25.8	34.3	0	0	0	112.1	Y602 M603 R604 E691 L692	P600-Y602 VanDerWaalsContact C-N 3.27Å; P600-Y602 HydrophobicContact CB-CD1 3.88Å; P600-Y602 HydrophobicContact CB-CD2 4.33Å; P600-Y602 HydrophobicContact CB-CE1 3.32Å; P600-Y602 HydrophobicContact CB-CE2 3.83Å; P600-Y602 HydrophobicContact CB-CG 4.35Å; P600-Y602 HydrophobicContact CG-CE1 4.25Å; P600-Y602 HydrophobicContact CG-CE2 4.31Å; P600-Y602 PolarHBondContact O-N 3Å; P600-M603 HydrophobicContact CG-SD 4.08Å; P600-M603 WeakPolarHBondContact O-CA 3.39Å; P600-M603 WeakPolarHBondContact O-CB 3.48Å; P600-M603 PolarHBondContact O-N 3.39Å; P600-R604 PolarHBondContact O-N 2.8Å; P600-E691 HydrophobicContact CB-CB 4.34Å; P600-E691 HydrophobicContact CG-CB 3.97Å; P600-L692 HydrophobicContact CG-CD2 3.8Å; P600-L692 HydrophobicContact CG-CG 4.23Å
601	A	98	Very high	96.8	Very high	57 Å²	57	29.7 Å²	29.7	47%	0.471	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-55.7	-41.6	-174.2	0	0	0	0	0	112.9	M603 R604 D605	A601-M603 PolarHBondContact O-N 3.33Å; A601-M603 VanDerWaalsContact O-N 3.16Å; A601-R604 PolarHBondContact O-N 2.86Å; A601-D605 PolarHBondContact O-N 3.2Å
602	Y	96.8	Very high	96.7	Very high	19 Å²	19	29.8 Å²	29.8	8%	0.075	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-68	-9.9	177.4	56.2	-97.2	0	0	0	114.2	P600 T608 F610 W620 V689 L692	P600-Y602 VanDerWaalsContact C-N 3.27Å; P600-Y602 HydrophobicContact CB-CD1 3.88Å; P600-Y602 HydrophobicContact CB-CD2 4.33Å; P600-Y602 HydrophobicContact CB-CE1 3.32Å; P600-Y602 HydrophobicContact CB-CE2 3.83Å; P600-Y602 HydrophobicContact CB-CG 4.35Å; P600-Y602 HydrophobicContact CG-CE1 4.25Å; P600-Y602 HydrophobicContact CG-CE2 4.31Å; P600-Y602 PolarHBondContact O-N 3Å; Y602-T608 WeakPolarHBondContact O-CB 3.45Å; Y602-T608 WeakPolarHBondContact O-CG2 3.48Å; Y602-T608 PolarHBondContact O-OG1 3.44Å; Y602-F610 HydrophobicContact CD2-CB 3.85Å; Y602-F610 AromaticContact CD2-CD1 3.58Å; Y602-F610 HydrophobicContact CD2-CD1 3.58Å; Y602-F610 HydrophobicContact CD2-CD2 4.06Å; Y602-F610 HydrophobicContact CD2-CE1 4.15Å; Y602-F610 AromaticContact CD2-CG 3.54Å; Y602-F610 HydrophobicContact CD2-CG 3.54Å; Y602-F610 AromaticContact CE2-CD1 3.6Å; Y602-F610 HydrophobicContact CE2-CD1 3.6Å; Y602-F610 HydrophobicContact CE2-CD2 4.03Å; Y602-F610 AromaticContact CE2-CE1 3.66Å; Y602-F610 HydrophobicContact CE2-CE1 3.66Å; Y602-F610 HydrophobicContact CE2-CE2 4.06Å; Y602-F610 AromaticContact CE2-CG 3.8Å; Y602-F610 HydrophobicContact CE2-CG 3.8Å; Y602-F610 AromaticContact CE2-CZ 3.89Å; Y602-F610 HydrophobicContact CE2-CZ 3.89Å; Y602-W620 HydrophobicContact CD1-CB 3.76Å; Y602-W620 HydrophobicContact CD2-CB 4.19Å; Y602-W620 HydrophobicContact CD2-CE3 4.44Å; Y602-W620 HydrophobicContact CE1-CB 3.55Å; Y602-W620 HydrophobicContact CE2-CB 4Å; Y602-W620 HydrophobicContact CG-CB 4.08Å; Y602-W620 HydrophobicContact CG-CE3 4.1Å; Y602-V689 WeakPolarHBondContact OH-CG1 3.44Å; Y602-L692 HydrophobicContact CE2-CD1 4.49Å
603	M	97.7	Very high	96.8	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-102.4	5.9	172.6	-66.3	178.8	75.1	0	0	113.2	F303 I535 V539 W563 N564 K599 P600 A601 F610 L692	F303-M603 HydrophobicContact CZ-CE 4.2Å; I535-M603 HydrophobicContact CG1-CE 4.49Å; I535-M603 HydrophobicContact CG2-CB 4.4Å; I535-M603 HydrophobicContact CG2-CG 4.34Å; V539-M603 WeakPolarHBondContact CG2-O 3.38Å; W563-M603 WeakPolarHBondContact O-CE 3.44Å; N564-M603 WeakPolarHBondContact O-CE 3.38Å; K599-M603 HydrophobicContact CB-CB 4.15Å; P600-M603 HydrophobicContact CG-SD 4.08Å; P600-M603 WeakPolarHBondContact O-CA 3.39Å; P600-M603 WeakPolarHBondContact O-CB 3.48Å; P600-M603 PolarHBondContact O-N 3.39Å; A601-M603 PolarHBondContact O-N 3.33Å; A601-M603 VanDerWaalsContact O-N 3.16Å; M603-F610 HydrophobicContact CG-CD1 4.01Å; M603-F610 HydrophobicContact CG-CE1 4.25Å; M603-F610 HydrophobicContact SD-CE1 4.22Å; M603-L692 HydrophobicContact SD-CD1 4.03Å; M603-L692 HydrophobicContact SD-CD2 3.83Å; M603-L692 HydrophobicContact SD-CG 4.43Å
604	R	97.9	Very high	96.6	Very high	62 Å²	62	34.4 Å²	34.4	23%	0.234	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.1	-8.2	174.4	-61	-175.4	-63.9	109.9	-1.4	111.8	H301 V539 K599 P600 A601	H301-R604 HydrophobicContact CB-CG 3.93Å; V539-R604 VanDerWaalsContact CG1-O 3.26Å; V539-R604 WeakPolarHBondContact CG1-O 3.46Å; K599-R604 HydrophobicContact CB-CG 4.03Å; K599-R604 WeakPolarHBondContact O-CD 3.35Å; K599-R604 PolarHBondContact O-NE 3.39Å; P600-R604 PolarHBondContact O-N 2.8Å; A601-R604 PolarHBondContact O-N 2.86Å
605	D	96.8	Very high	96.2	Very high	81 Å²	81	35.5 Å²	35.5	43%	0.433	21%	0.21	S	C	.	.			trans	-90.4	123.9	176.4	-178.7	8.1	0	0	0	111.3	A601 A607 T608	A601-D605 PolarHBondContact O-N 3.2Å; D605-A607 PolarHBondContact O-N 2.92Å; D605-A607 WeakPolarHBondContact OD1-CB 3.36Å; D605-A607 PolarHBondContact OD1-N 2.84Å; D605-T608 VanDerWaalsContact O-CB 3.29Å; D605-T608 WeakPolarHBondContact O-CB 3.44Å; D605-T608 VanDerWaalsContact O-CG2 3.24Å; D605-T608 WeakPolarHBondContact O-CG2 3.27Å; D605-T608 PolarHBondContact O-N 2.88Å
606	A	93.8	Very high	95.5	Very high	57 Å²	57	39.7 Å²	39.7	47%	0.471	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-24.6	178	0	0	0	0	0	112.6	V539 T608	V539-A606 HydrophobicContact CG1-CB 4.14Å; A606-T608 VanDerWaalsContact C-N 3.3Å
607	A	94.9	Very high	94.9	Very high	69 Å²	69	47.6 Å²	47.6	57%	0.57	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	1.2	178.3	0	0	0	0	0	113.6	D605 E609	D605-A607 PolarHBondContact O-N 2.92Å; D605-A607 WeakPolarHBondContact OD1-CB 3.36Å; D605-A607 PolarHBondContact OD1-N 2.84Å; A607-E609 PolarHBondContact O-N 3.1Å
608	T	94.5	Very high	94.5	Very high	5 Å²	5	48.6 Å²	48.6	3%	0.031	28%	0.278	C	S	.	.			trans	-54.8	134.3	-171.7	-169.5	0	0	0	0	113.9	N532 I535 R536 Y602 D605 A606 F610	N532-T608 PolarHBondContact ND2-O 2.9Å; I535-T608 HydrophobicContact CG2-CG2 3.89Å; R536-T608 HydrophobicContact CG-CG2 4.14Å; R536-T608 PolarHBondContact NE-O 3.35Å; R536-T608 VanDerWaalsContact NE-O 3.11Å; R536-T608 PolarHBondContact NH2-O 3Å; Y602-T608 WeakPolarHBondContact O-CB 3.45Å; Y602-T608 WeakPolarHBondContact O-CG2 3.48Å; Y602-T608 PolarHBondContact O-OG1 3.44Å; D605-T608 VanDerWaalsContact O-CB 3.29Å; D605-T608 WeakPolarHBondContact O-CB 3.44Å; D605-T608 VanDerWaalsContact O-CG2 3.24Å; D605-T608 WeakPolarHBondContact O-CG2 3.27Å; D605-T608 PolarHBondContact O-N 2.88Å; A606-T608 VanDerWaalsContact C-N 3.3Å; T608-F610 VanDerWaalsContact OG1-CB 3.28Å; T608-F610 WeakPolarHBondContact OG1-CB 3.34Å; T608-F610 PolarHBondContact OG1-N 2.89Å; T608-F610 VanDerWaalsContact OG1-N 3.09Å
609	E	95.2	Very high	94.1	Very high	104 Å²	104	54.1 Å²	54.1	49%	0.486	31%	0.307	S	S	.	.			trans	-96.3	4.7	167.3	-63.8	-173.2	166.6	0	0	111.5	A607 D611 R617 W620	A607-E609 PolarHBondContact O-N 3.1Å; E609-D611 PolarHBondContact O-N 3.24Å; E609-R617 IonicContact OE2-CZ 3.72Å; E609-R617 IonicContact OE2-NE 2.93Å; E609-R617 IonicContact OE2-NH2 3.33Å; E609-R617 PolarHBondContact OE2-NH2 3.38Å; E609-W620 VanDerWaalsContact C-CH2 3.5Å; E609-W620 HydrophobicContact CB-CH2 4.09Å
610	F	96.7	Very high	93.9	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	31%	0.309	C	S	.	.			trans	-60.5	126.5	-179	177.2	-120	0	0	0	110.6	N532 I535 Y602 M603 T608 P612 L615 W620 V658 L692	N532-F610 PolarHBondContact ND2-O 2.87Å; I535-F610 HydrophobicContact CD1-CD1 3.63Å; I535-F610 HydrophobicContact CD1-CE1 4.07Å; Y602-F610 HydrophobicContact CD2-CB 3.85Å; Y602-F610 AromaticContact CD2-CD1 3.58Å; Y602-F610 HydrophobicContact CD2-CD1 3.58Å; Y602-F610 HydrophobicContact CD2-CD2 4.06Å; Y602-F610 HydrophobicContact CD2-CE1 4.15Å; Y602-F610 AromaticContact CD2-CG 3.54Å; Y602-F610 HydrophobicContact CD2-CG 3.54Å; Y602-F610 AromaticContact CE2-CD1 3.6Å; Y602-F610 HydrophobicContact CE2-CD1 3.6Å; Y602-F610 HydrophobicContact CE2-CD2 4.03Å; Y602-F610 AromaticContact CE2-CE1 3.66Å; Y602-F610 HydrophobicContact CE2-CE1 3.66Å; Y602-F610 HydrophobicContact CE2-CE2 4.06Å; Y602-F610 AromaticContact CE2-CG 3.8Å; Y602-F610 HydrophobicContact CE2-CG 3.8Å; Y602-F610 AromaticContact CE2-CZ 3.89Å; Y602-F610 HydrophobicContact CE2-CZ 3.89Å; M603-F610 HydrophobicContact CG-CD1 4.01Å; M603-F610 HydrophobicContact CG-CE1 4.25Å; M603-F610 HydrophobicContact SD-CE1 4.22Å; T608-F610 VanDerWaalsContact OG1-CB 3.28Å; T608-F610 WeakPolarHBondContact OG1-CB 3.34Å; T608-F610 PolarHBondContact OG1-N 2.89Å; T608-F610 VanDerWaalsContact OG1-N 3.09Å; F610-P612 HydrophobicContact CE1-CB 4.24Å; F610-P612 HydrophobicContact CZ-CB 3.89Å; F610-L615 HydrophobicContact CE2-CD2 3.85Å; F610-W620 HydrophobicContact CB-CD2 4.12Å; F610-W620 HydrophobicContact CB-CE3 3.86Å; F610-W620 HydrophobicContact CB-CH2 4.07Å; F610-W620 HydrophobicContact CB-CZ2 4.28Å; F610-W620 HydrophobicContact CB-CZ3 3.86Å; F610-W620 HydrophobicContact CD2-CB 4.07Å; F610-W620 AromaticContact CD2-CD1 3.63Å; F610-W620 AromaticContact CD2-CD2 3.51Å; F610-W620 HydrophobicContact CD2-CD2 3.51Å; F610-W620 AromaticContact CD2-CE2 3.65Å; F610-W620 HydrophobicContact CD2-CE3 4.11Å; F610-W620 AromaticContact CD2-CG 3.48Å; F610-W620 HydrophobicContact CD2-CG 3.48Å; F610-W620 VanDerWaalsContact CD2-CG 3.48Å; F610-W620 HydrophobicContact CD2-CZ2 4.29Å; F610-W620 AromaticContact CD2-NE1 3.74Å; F610-W620 HydrophobicContact CE2-CB 4.22Å; F610-W620 AromaticContact CE2-CD1 3.81Å; F610-W620 HydrophobicContact CE2-CD2 4.38Å; F610-W620 AromaticContact CE2-CG 3.89Å; F610-W620 HydrophobicContact CE2-CG 3.89Å; F610-W620 HydrophobicContact CG-CD2 4.21Å; F610-W620 HydrophobicContact CG-CE3 4.37Å; F610-W620 HydrophobicContact CG-CG 4.47Å; F610-W620 VanDerWaalsContact N-CH2 3.32Å; F610-V658 HydrophobicContact CZ-CG1 4.08Å; F610-L692 HydrophobicContact CE1-CD1 3.91Å; F610-L692 HydrophobicContact CZ-CD1 3.71Å
611	D	96.3	Very high	93.7	Very high	32 Å²	32	57.6 Å²	57.6	17%	0.171	32%	0.324	C	S	.	.			trans	-135.2	112.6	173.6	-174	-65.9	0	0	0	108	E609 I613 T614 L615	E609-D611 PolarHBondContact O-N 3.24Å; D611-I613 PolarHBondContact O-N 3.5Å; D611-I613 WeakPolarHBondContact OD1-CA 3.46Å; D611-I613 VanDerWaalsContact OD1-CB 3.32Å; D611-I613 WeakPolarHBondContact OD1-CB 3.36Å; D611-I613 PolarHBondContact OD1-N 2.84Å; D611-T614 PolarHBondContact OD1-N 2.85Å; D611-T614 PolarHBondContact OD1-OG1 2.77Å; D611-L615 PolarHBondContact O-N 3.24Å
612	P	96	Very high	93.6	Very high	3 Å²	3	58.4 Å²	58.4	2%	0.019	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-16.6	-175.9	27.9	-36.2	0	0	0	113.4	A531 N564 F610 V658 P659	A531-P612 HydrophobicContact CB-CG 3.78Å; N564-P612 HydrophobicContact CB-CB 4Å; N564-P612 HydrophobicContact CB-CG 4.15Å; F610-P612 HydrophobicContact CE1-CB 4.24Å; F610-P612 HydrophobicContact CZ-CB 3.89Å; P612-V658 HydrophobicContact CB-CB 4.31Å; P612-V658 HydrophobicContact CB-CG1 3.74Å; P612-P659 WeakPolarHBondContact O-CD 3.34Å
613	I	95.4	Very high	93.5	Very high	82 Å²	82	60.3 Å²	60.3	42%	0.421	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-43.6	-176.5	-51.1	-53.6	0	0	0	110.8	A531 D611 P659	A531-I613 HydrophobicContact CB-CG1 4.36Å; D611-I613 PolarHBondContact O-N 3.5Å; D611-I613 WeakPolarHBondContact OD1-CA 3.46Å; D611-I613 VanDerWaalsContact OD1-CB 3.32Å; D611-I613 WeakPolarHBondContact OD1-CB 3.36Å; D611-I613 PolarHBondContact OD1-N 2.84Å; I613-P659 HydrophobicContact CD1-CG 3.88Å
614	T	90.8	Very high	93.5	Very high	91 Å²	91	62.3 Å²	62.3	56%	0.558	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	-22	-173.2	55.5	0	0	0	0	114.4	D611 T616	D611-T614 PolarHBondContact OD1-N 2.85Å; D611-T614 PolarHBondContact OD1-OG1 2.77Å; T614-T616 PolarHBondContact O-N 3.27Å
615	L	88.8	Confident	93.5	Very high	27 Å²	27	60.1 Å²	60.1	14%	0.141	33%	0.329	C	S	.	.			trans	40.9	63.6	174.7	-65.6	-179.4	0	0	0	113.8	F610 D611 L621 V658 A660 V689	F610-L615 HydrophobicContact CE2-CD2 3.85Å; D611-L615 PolarHBondContact O-N 3.24Å; L615-L621 HydrophobicContact CB-CD2 4.21Å; L615-V658 HydrophobicContact CD1-CB 4.46Å; L615-V658 HydrophobicContact CD1-CG2 3.84Å; L615-A660 HydrophobicContact CD1-CB 3.51Å; L615-V689 HydrophobicContact CD1-CG2 4.39Å; L615-V689 HydrophobicContact CD2-CG2 3.75Å
616	T	82.5	Confident	93.6	Very high	89 Å²	89	56.2 Å²	56.2	55%	0.546	31%	0.309	S	S	.	.			trans	-77.2	-71.4	-171.3	54.7	0	0	0	0	113.9	T614	T614-T616 PolarHBondContact O-N 3.27Å
617	R	87.4	Confident	93.9	Very high	168 Å²	168	56.3 Å²	56.3	63%	0.634	30%	0.299	S	S	*	.	S	Bend	trans	-155.8	140.6	-177.3	68.1	-176	-177.5	179.7	-0.7	110.6	E609 W620	E609-R617 IonicContact OE2-CZ 3.72Å; E609-R617 IonicContact OE2-NE 2.93Å; E609-R617 IonicContact OE2-NH2 3.33Å; E609-R617 PolarHBondContact OE2-NH2 3.38Å; R617-W620 VanDerWaalsContact C-CZ2 3.48Å; R617-W620 WeakPolarHBondContact O-CH2 3.37Å; R617-W620 WeakPolarHBondContact O-CZ2 3.47Å
618	G	90.3	Very high	94	Very high	33 Å²	33	53 Å²	53	34%	0.34	27%	0.272	S	S	.	.	S	Bend	trans	152.8	173.6	173.3	0	0	0	0	0	112.3	W620 L621	G618-W620 PolarHBondContact O-N 3.09Å; G618-W620 VanDerWaalsContact O-N 3.09Å; G618-L621 PolarHBondContact O-N 2.59Å; G618-L621 VanDerWaalsContact O-N 3.07Å
619	D	90.4	Very high	94.2	Very high	146 Å²	146	54.9 Å²	54.9	78%	0.781	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-12.4	-174.8	-60.6	-24.3	0	0	0	113.8	L621 Q622	D619-L621 VanDerWaalsContact C-N 3.28Å; D619-Q622 PolarHBondContact O-NE2 2.64Å
620	W	94	Very high	94.4	Very high	17 Å²	17	50 Å²	50	6%	0.064	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-22.1	172.9	55.8	82.9	0	0	0	113.3	Y602 E609 F610 R617 G618 Q622 V689	Y602-W620 HydrophobicContact CD1-CB 3.76Å; Y602-W620 HydrophobicContact CD2-CB 4.19Å; Y602-W620 HydrophobicContact CD2-CE3 4.44Å; Y602-W620 HydrophobicContact CE1-CB 3.55Å; Y602-W620 HydrophobicContact CE2-CB 4Å; Y602-W620 HydrophobicContact CG-CB 4.08Å; Y602-W620 HydrophobicContact CG-CE3 4.1Å; E609-W620 VanDerWaalsContact C-CH2 3.5Å; E609-W620 HydrophobicContact CB-CH2 4.09Å; F610-W620 HydrophobicContact CB-CD2 4.12Å; F610-W620 HydrophobicContact CB-CE3 3.86Å; F610-W620 HydrophobicContact CB-CH2 4.07Å; F610-W620 HydrophobicContact CB-CZ2 4.28Å; F610-W620 HydrophobicContact CB-CZ3 3.86Å; F610-W620 HydrophobicContact CD2-CB 4.07Å; F610-W620 AromaticContact CD2-CD1 3.63Å; F610-W620 AromaticContact CD2-CD2 3.51Å; F610-W620 HydrophobicContact CD2-CD2 3.51Å; F610-W620 AromaticContact CD2-CE2 3.65Å; F610-W620 HydrophobicContact CD2-CE3 4.11Å; F610-W620 AromaticContact CD2-CG 3.48Å; F610-W620 HydrophobicContact CD2-CG 3.48Å; F610-W620 VanDerWaalsContact CD2-CG 3.48Å; F610-W620 HydrophobicContact CD2-CZ2 4.29Å; F610-W620 AromaticContact CD2-NE1 3.74Å; F610-W620 HydrophobicContact CE2-CB 4.22Å; F610-W620 AromaticContact CE2-CD1 3.81Å; F610-W620 HydrophobicContact CE2-CD2 4.38Å; F610-W620 AromaticContact CE2-CG 3.89Å; F610-W620 HydrophobicContact CE2-CG 3.89Å; F610-W620 HydrophobicContact CG-CD2 4.21Å; F610-W620 HydrophobicContact CG-CE3 4.37Å; F610-W620 HydrophobicContact CG-CG 4.47Å; F610-W620 VanDerWaalsContact N-CH2 3.32Å; R617-W620 VanDerWaalsContact C-CZ2 3.48Å; R617-W620 WeakPolarHBondContact O-CH2 3.37Å; R617-W620 WeakPolarHBondContact O-CZ2 3.47Å; G618-W620 PolarHBondContact O-N 3.09Å; G618-W620 VanDerWaalsContact O-N 3.09Å; W620-Q622 PolarHBondContact O-N 3.09Å; W620-Q622 VanDerWaalsContact O-N 3.09Å; W620-V689 HydrophobicContact CB-CG1 4.4Å
621	L	94.1	Very high	94.5	Very high	68 Å²	68	50.1 Å²	50.1	36%	0.356	26%	0.259	S	S	.	.			trans	-79.8	88.5	177	-69.8	177.2	0	0	0	109.9	L615 G618 D619	L615-L621 HydrophobicContact CB-CD2 4.21Å; G618-L621 PolarHBondContact O-N 2.59Å; G618-L621 VanDerWaalsContact O-N 3.07Å; D619-L621 VanDerWaalsContact C-N 3.28Å
622	Q	95.1	Very high	94.5	Very high	73 Å²	73	48.8 Å²	48.8	34%	0.341	25%	0.252	S	S	.	.			trans	-114	66.9	175.5	-59.6	179	15.4	0	0	108.8	D619 W620 K624 Y688 P690	D619-Q622 PolarHBondContact O-NE2 2.64Å; W620-Q622 PolarHBondContact O-N 3.09Å; W620-Q622 VanDerWaalsContact O-N 3.09Å; Q622-K624 WeakPolarHBondContact O-CG 3.41Å; Q622-K624 PolarHBondContact O-N 2.68Å; Q622-Y688 CarbonylContact C-O 3.53Å; Q622-Y688 PolarHBondContact N-O 3.24Å; Q622-P690 HydrophobicContact CB-CG 4.07Å; Q622-P690 WeakPolarHBondContact O-CD 3.08Å; Q622-P690 VanDerWaalsContact O-CG 3.26Å; Q622-P690 WeakPolarHBondContact O-CG 3.46Å
623	H	95.7	Very high	94.4	Very high	59 Å²	59	48.7 Å²	48.7	27%	0.273	25%	0.252	S	S	.	.			trans	-55.1	112.9	-175.1	-173.3	-166.2	0	0	0	111.2	D686 V687 Y688 A752	H623-D686 IonicContact CD2-OD1 3.97Å; H623-D686 IonicContact CE1-OD1 3.76Å; H623-D686 IonicContact NE2-OD1 2.91Å; H623-D686 PolarHBondContact NE2-OD1 3.17Å; H623-V687 CarbonylContact C-O 3.39Å; H623-V687 WeakPolarHBondContact CA-O 3.21Å; H623-Y688 HydrophobicContact CB-CD1 4.14Å; H623-Y688 AromaticContact CD2-CD1 3.92Å; H623-Y688 AromaticContact CD2-CE1 3.82Å; H623-Y688 AromaticContact CE1-CE1 3.85Å; H623-Y688 AromaticContact CG-CD1 3.83Å; H623-Y688 AromaticContact CG-CE1 3.82Å; H623-Y688 AromaticContact ND1-CE1 3.84Å; H623-Y688 AromaticContact NE2-CE1 3.86Å; H623-A752 HydrophobicContact CB-CB 4.1Å; H623-A752 WeakPolarHBondContact CE1-CB 3.41Å; H623-A752 VanDerWaalsContact CG-CB 3.41Å; H623-A752 WeakPolarHBondContact ND1-CB 3.47Å; H623-A752 WeakPolarHBondContact NE2-CB 3.12Å; H623-A752 WeakPolarHBondContact O-CB 3.4Å; H623-A752 PolarHBondContact O-N 3.1Å
624	K	97.8	Very high	94.1	Very high	43 Å²	43	45.6 Å²	45.6	19%	0.187	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	149.2	173.3	-53.9	-55.1	174.4	173.8	0	110.1	Q622 V687 P690 F718 V749 L750 D751	Q622-K624 WeakPolarHBondContact O-CG 3.41Å; Q622-K624 PolarHBondContact O-N 2.68Å; K624-V687 PolarHBondContact N-O 3.28Å; K624-V687 PolarHBondContact O-N 2.93Å; K624-P690 HydrophobicContact CG-CG 3.68Å; K624-F718 HydrophobicContact CB-CE1 4.35Å; K624-F718 HydrophobicContact CB-CZ 3.91Å; K624-F718 HydrophobicContact CG-CE1 4.09Å; K624-F718 HydrophobicContact CG-CZ 4.17Å; K624-V749 HydrophobicContact CB-CG1 3.94Å; K624-V749 HydrophobicContact CD-CG1 4.31Å; K624-V749 HydrophobicContact CG-CG1 4.07Å; K624-L750 CarbonylContact C-O 3.52Å; K624-L750 VanDerWaalsContact CA-O 3.28Å; K624-L750 WeakPolarHBondContact CA-O 3.4Å; K624-D751 WeakPolarHBondContact CD-OD1 3.3Å; K624-D751 IonicContact NZ-OD1 2.7Å; K624-D751 PolarHBondContact NZ-OD1 3.09Å
625	T	98.2	Very high	93.7	Very high	15 Å²	15	41.9 Å²	41.9	9%	0.092	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	118.4	163.2	-55.5	0	0	0	0	108.8	H627 Q684 F685 L750	T625-H627 WeakPolarHBondContact CG2-NE2 3.12Å; T625-Q684 HydrophobicContact CG2-CG 3.41Å; T625-Q684 VanDerWaalsContact CG2-CG 3.41Å; T625-F685 CarbonylContact C-O 3.45Å; T625-F685 WeakPolarHBondContact CA-O 3.37Å; T625-L750 PolarHBondContact N-O 3.06Å; T625-L750 PolarHBondContact O-N 3.43Å
626	L	98.6	Very high	93.7	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	117.3	174.4	169.3	66.3	0	0	0	109.8	V628 I655 Q684 F685 V695 F718 L721 V747 V749	L626-V628 HydrophobicContact CD1-CG2 3.88Å; L626-V628 HydrophobicContact CD2-CG2 4.12Å; L626-V628 HydrophobicContact CG-CG2 3.85Å; L626-I655 HydrophobicContact CD2-CD1 3.72Å; L626-Q684 CarbonylContact O-C 3.5Å; L626-Q684 VanDerWaalsContact O-CA 3.3Å; L626-Q684 WeakPolarHBondContact O-CA 3.4Å; L626-F685 HydrophobicContact CB-CB 4.37Å; L626-F685 HydrophobicContact CD2-CD2 4.31Å; L626-F685 HydrophobicContact CG-CD2 4.41Å; L626-F685 PolarHBondContact N-O 2.61Å; L626-F685 PolarHBondContact O-N 2.84Å; L626-V695 HydrophobicContact CD2-CG2 4.03Å; L626-F718 HydrophobicContact CB-CE2 3.85Å; L626-F718 HydrophobicContact CB-CZ 4.38Å; L626-F718 HydrophobicContact CD1-CE2 4.49Å; L626-F718 HydrophobicContact CD2-CD2 4.33Å; L626-F718 HydrophobicContact CD2-CE2 3.94Å; L626-F718 HydrophobicContact CG-CE2 4.3Å; L626-L721 HydrophobicContact CD1-CD1 4.29Å; L626-L721 HydrophobicContact CD2-CD1 4.46Å; L626-V747 HydrophobicContact CD1-CG1 3.88Å; L626-V749 HydrophobicContact CD1-CG2 3.82Å
627	H	98.4	Very high	93.8	Very high	58 Å²	58	38.7 Å²	38.7	27%	0.269	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	131.3	169.1	-61.8	-89.5	0	0	0	110	T625 F683 Q684 V747 M748	T625-H627 WeakPolarHBondContact CG2-NE2 3.12Å; H627-F683 VanDerWaalsContact CA-O 3.3Å; H627-F683 WeakPolarHBondContact CA-O 3.38Å; H627-Q684 PolarHBondContact CE1-OE1 3.2Å; H627-V747 WeakPolarHBondContact O-CA 3.32Å; H627-M748 HydrophobicContact CB-CB 4.2Å; H627-M748 PolarHBondContact N-O 2.95Å; H627-M748 PolarHBondContact O-N 3.1Å
628	V	98.6	Very high	93.5	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.006	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	116.6	175.1	-177.6	0	0	0	0	108.4	L626 V630 V653 F683 F697 H746	L626-V628 HydrophobicContact CD1-CG2 3.88Å; L626-V628 HydrophobicContact CD2-CG2 4.12Å; L626-V628 HydrophobicContact CG-CG2 3.85Å; V628-V630 HydrophobicContact CG1-CG2 4.3Å; V628-V653 HydrophobicContact CG1-CG2 4.25Å; V628-V653 HydrophobicContact CG2-CG1 4.41Å; V628-F683 PolarHBondContact N-O 3.32Å; V628-F683 PolarHBondContact O-N 2.94Å; V628-F697 HydrophobicContact CG1-CE1 3.97Å; V628-H746 CarbonylContact C-O 3.56Å; V628-H746 WeakPolarHBondContact CA-O 3.35Å
629	M	98.4	Very high	93	Very high	44 Å²	44	33.7 Å²	33.7	22%	0.217	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	116.4	166.6	-169.8	177.8	173.9	0	0	108.5	I631 N680 E681 N682 V745 H746	M629-I631 HydrophobicContact CB-CG1 4.41Å; M629-I631 HydrophobicContact CE-CG1 4.31Å; M629-I631 HydrophobicContact CG-CG1 3.94Å; M629-I631 PolarHBondContact O-N 2.79Å; M629-I631 HydrophobicContact SD-CG1 4.15Å; M629-N680 HydrophobicContact CE-CB 3.83Å; M629-E681 CarbonylContact C-O 3.51Å; M629-E681 VanDerWaalsContact CA-O 3.29Å; M629-E681 WeakPolarHBondContact CA-O 3.46Å; M629-N682 WeakPolarHBondContact CB-OD1 3.33Å; M629-N682 WeakPolarHBondContact CG-OD1 3.42Å; M629-V745 CarbonylContact O-C 3.49Å; M629-V745 WeakPolarHBondContact O-CA 3.33Å; M629-V745 WeakPolarHBondContact O-CB 3.19Å; M629-H746 HydrophobicContact CB-CB 4.04Å; M629-H746 PolarHBondContact N-O 3.08Å; M629-H746 PolarHBondContact O-N 3.03Å
630	V	98.6	Very high	92	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	107	171.6	-178.1	0	0	0	0	107.6	V628 V651 V653 T667 W679 N680 E681 F683 L743	V628-V630 HydrophobicContact CG1-CG2 4.3Å; V630-V651 HydrophobicContact CG1-CB 3.95Å; V630-V651 HydrophobicContact CG1-CG1 4.04Å; V630-V651 HydrophobicContact CG1-CG2 3.92Å; V630-V651 HydrophobicContact CG2-CG1 4.24Å; V630-V653 HydrophobicContact CG2-CG2 4.06Å; V630-T667 HydrophobicContact CB-CG2 3.91Å; V630-T667 HydrophobicContact CG1-CG2 3.92Å; V630-T667 HydrophobicContact CG2-CG2 4.23Å; V630-W679 HydrophobicContact CG1-CB 4.47Å; V630-W679 HydrophobicContact CG1-CD2 4.27Å; V630-W679 HydrophobicContact CG1-CE3 3.84Å; V630-W679 HydrophobicContact CG1-CZ3 4.44Å; V630-N680 VanDerWaalsContact O-CA 3.3Å; V630-N680 WeakPolarHBondContact O-CA 3.34Å; V630-N680 PolarHBondContact O-N 3.43Å; V630-E681 PolarHBondContact N-O 3.15Å; V630-E681 PolarHBondContact O-N 2.99Å; V630-F683 HydrophobicContact CG2-CD2 4.16Å; V630-F683 HydrophobicContact CG2-CE2 3.77Å; V630-L743 HydrophobicContact CG1-CD1 3.98Å; V630-L743 HydrophobicContact CG1-CD2 4.28Å; V630-L743 HydrophobicContact CG1-CG 4.49Å
631	I	98.3	Very high	90.5	Very high	4 Å²	4	38.3 Å²	38.3	2%	0.021	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	-65.3	-170.3	-58.2	169.4	0	0	0	109.6	E211 M629 S678 W679 N680 Y725 F744 H746	E211-I631 HydrophobicContact CB-CG2 3.93Å; E211-I631 HydrophobicContact CG-CG2 3.78Å; M629-I631 HydrophobicContact CB-CG1 4.41Å; M629-I631 HydrophobicContact CE-CG1 4.31Å; M629-I631 HydrophobicContact CG-CG1 3.94Å; M629-I631 PolarHBondContact O-N 2.79Å; M629-I631 HydrophobicContact SD-CG1 4.15Å; I631-S678 WeakPolarHBondContact O-CA 3.46Å; I631-S678 PolarHBondContact O-OG 2.91Å; I631-W679 PolarHBondContact O-N 2.89Å; I631-N680 WeakPolarHBondContact CG2-OD1 3.35Å; I631-N680 PolarHBondContact O-N 2.98Å; I631-Y725 HydrophobicContact CD1-CD1 3.69Å; I631-Y725 HydrophobicContact CD1-CE1 3.76Å; I631-F744 HydrophobicContact CB-CD1 3.98Å; I631-F744 WeakPolarHBondContact CB-O 3.36Å; I631-F744 HydrophobicContact CD1-CD1 3.85Å; I631-F744 HydrophobicContact CD1-CE1 3.82Å; I631-F744 HydrophobicContact CG2-CD1 3.91Å; I631-F744 HydrophobicContact CG2-CE1 4.41Å; I631-F744 PolarHBondContact N-O 3.05Å; I631-H746 HydrophobicContact CD1-CB 4.11Å
632	S	97	Very high	89.1	Confident	4 Å²	4	41.8 Å²	41.8	3%	0.028	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	161.3	-175.1	64.2	0	0	0	0	112.6	E211 Q634 P677 L743 F744	E211-S632 WeakPolarHBondContact OE1-CB 3.48Å; E211-S632 PolarHBondContact OE1-OG 3.44Å; S632-Q634 PolarHBondContact O-NE2 3.26Å; S632-Q634 PolarHBondContact OG-NE2 3.06Å; S632-P677 CarbonylContact C-O 3.58Å; S632-P677 WeakPolarHBondContact CA-O 3.31Å; S632-P677 VanDerWaalsContact CB-O 3.26Å; S632-P677 WeakPolarHBondContact CB-O 3.32Å; S632-L743 WeakPolarHBondContact O-CD1 3.26Å; S632-F744 PolarHBondContact N-O 2.95Å; S632-F744 PolarHBondContact O-N 3.05Å
633	G	94.3	Very high	87.4	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.01	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	160.2	174.5	0	0	0	0	0	110.5	N676 P677 W679 G742	G633-N676 VanDerWaalsContact O-CA 3.31Å; G633-N676 WeakPolarHBondContact O-CA 3.3Å; G633-P677 PolarHBondContact N-O 3Å; G633-W679 VanDerWaalsContact N-CZ3 3.27Å; G633-G742 CarbonylContact C-O 3.52Å; G633-G742 WeakPolarHBondContact CA-O 3.15Å
634	Q	88.3	Confident	86	Confident	16 Å²	16	43.5 Å²	43.5	8%	0.075	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	131.4	178.9	-60.2	81	48.6	0	0	109.9	S632 L636 F675 A741 G742	S632-Q634 PolarHBondContact O-NE2 3.26Å; S632-Q634 PolarHBondContact OG-NE2 3.06Å; Q634-L636 VanDerWaalsContact C-N 3.29Å; Q634-L636 PolarHBondContact O-N 2.9Å; Q634-L636 VanDerWaalsContact O-N 3.16Å; Q634-F675 CarbonylContact C-O 3.56Å; Q634-F675 WeakPolarHBondContact CA-O 3.46Å; Q634-A741 VanDerWaalsContact O-CA 3.23Å; Q634-A741 WeakPolarHBondContact O-CA 3.17Å; Q634-G742 PolarHBondContact N-O 3.5Å; Q634-G742 PolarHBondContact O-N 3.4Å; Q634-G742 VanDerWaalsContact O-N 3.15Å; Q634-G742 PolarHBondContact OE1-O 2.83Å
635	Q	83.4	Confident	85.1	Confident	13 Å²	13	42.8 Å²	42.8	6%	0.061	22%	0.218	C	C	.	.			trans	44.3	47.3	171	-50.3	-170	-6.6	0	0	114.8	W142 G674 F675 S740 A741	W142-Q635 VanDerWaalsContact CE3-CD 3.49Å; W142-Q635 HydrophobicContact CE3-CG 4.4Å; W142-Q635 HydrophobicContact CZ3-CB 4.18Å; W142-Q635 HydrophobicContact CZ3-CG 3.96Å; Q635-G674 CarbonylContact C-O 3.53Å; Q635-F675 HydrophobicContact CG-CD2 4.03Å; Q635-F675 HydrophobicContact CG-CE2 3.93Å; Q635-F675 PolarHBondContact N-O 3.38Å; Q635-S740 WeakPolarHBondContact CB-O 3.49Å; Q635-A741 WeakPolarHBondContact O-CB 3.35Å
636	L	88.9	Confident	84.4	Confident	4 Å²	4	43.1 Å²	43.1	2%	0.021	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-61	129.3	175.1	-57.1	-180	0	0	0	109.8	N171 Q634 P649 G674 P677 W679 I699 I711 L730	N171-L636 PolarHBondContact ND2-O 3.5Å; Q634-L636 VanDerWaalsContact C-N 3.29Å; Q634-L636 PolarHBondContact O-N 2.9Å; Q634-L636 VanDerWaalsContact O-N 3.16Å; L636-P649 HydrophobicContact CD1-CB 3.44Å; L636-P649 VanDerWaalsContact CD1-CB 3.44Å; L636-P649 HydrophobicContact CD1-CG 3.8Å; L636-G674 WeakPolarHBondContact CA-O 2.96Å; L636-G674 VanDerWaalsContact CB-O 3.26Å; L636-G674 WeakPolarHBondContact CB-O 3.27Å; L636-G674 PolarHBondContact N-O 2.82Å; L636-P677 HydrophobicContact CD1-CG 3.83Å; L636-W679 HydrophobicContact CD1-CH2 4.43Å; L636-I699 HydrophobicContact CD1-CG2 3.89Å; L636-I699 HydrophobicContact CD2-CG2 4.38Å; L636-I711 HydrophobicContact CB-CG2 4.01Å; L636-I711 HydrophobicContact CD2-CG2 4.42Å; L636-L730 HydrophobicContact CD2-CD1 3.52Å
637	P	83.1	Confident	83.9	Confident	45 Å²	45	43.1 Å²	43.1	29%	0.292	22%	0.22	S	C	.	.	P	Polyproline II helix	trans	-66.8	152.6	-177.2	28.2	-35.8	0	0	0	111.5	I711 L738	P637-I711 HydrophobicContact CG-CG2 3.93Å; P637-L738 HydrophobicContact CG-CD1 3.97Å; P637-L738 HydrophobicContact CG-CD2 4.39Å
638	K	82.1	Confident	83.7	Confident	57 Å²	57	42.4 Å²	42.4	25%	0.248	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-66.5	137.9	166.9	-65.6	-173.9	-179.6	-128.4	0	110.2	Q168 N171 K643 S645	Q168-K638 WeakPolarHBondContact O-CE 3.42Å; Q168-K638 PolarHBondContact O-NZ 3Å; N171-K638 HydrophobicContact CB-CG 4.07Å; N171-K638 WeakPolarHBondContact OD1-CG 3.48Å; K638-K643 PolarHBondContact NZ-O 3.4Å; K638-S645 WeakPolarHBondContact CE-O 3.27Å; K638-S645 PolarHBondContact NZ-O 3.4Å
639	V	79.9	Confident	83.6	Confident	40 Å²	40	42.4 Å²	42.4	24%	0.242	22%	0.217	C	C	.	.	S	Bend	trans	-86.3	-39.6	172.3	-164.4	0	0	0	0	111	V647 D701 E709 I711	V639-V647 HydrophobicContact CG2-CG1 4.13Å; V639-D701 HydrophobicContact CG2-CB 3.98Å; V639-E709 HydrophobicContact CB-CB 4.21Å; V639-E709 WeakPolarHBondContact CB-OE2 3.44Å; V639-E709 HydrophobicContact CG1-CB 3.62Å; V639-E709 HydrophobicContact CG1-CG 4.36Å; V639-E709 VanDerWaalsContact CG1-OE2 3.26Å; V639-E709 WeakPolarHBondContact CG1-OE2 3.46Å; V639-E709 HydrophobicContact CG2-CB 4.34Å; V639-I711 HydrophobicContact CG2-CB 4.49Å; V639-I711 HydrophobicContact CG2-CD1 4.46Å; V639-I711 HydrophobicContact CG2-CG1 3.5Å; V639-I711 VanDerWaalsContact CG2-CG1 3.5Å
640	N	69.3	Low	83.5	Confident	61 Å²	61	40.6 Å²	40.6	33%	0.326	21%	0.209	S	C	.	.	S	Bend	trans	-85.6	142.2	176.9	-158.4	-47.3	0	0	0	112.9	K642 S645	N640-K642 VanDerWaalsContact C-N 3.27Å; N640-K642 PolarHBondContact O-N 3.19Å; N640-K642 WeakPolarHBondContact OD1-CB 3.43Å; N640-K642 WeakPolarHBondContact OD1-CG 3.17Å; N640-K642 PolarHBondContact OD1-N 2.87Å; N640-S645 VanDerWaalsContact CB-OG 3.3Å; N640-S645 WeakPolarHBondContact CB-OG 3.48Å
641	Q	61.8	Low	83.5	Confident	198 Å²	198	40.6 Å²	40.6	93%	0.925	21%	0.209	S	C	*	.	S	Bend	trans	-75.4	-13	175.6	-63.9	-173.6	8.2	0	0	113.9	K643	Q641-K643 PolarHBondContact O-N 3.33Å
642	K	64.9	Low	83.5	Confident	141 Å²	141	41.8 Å²	41.8	61%	0.613	21%	0.214	S	C	*	.	S	Bend	trans	-66	123	175	-72.4	179.2	-175.9	174.4	0	109.5	N640 S644 S645	N640-K642 VanDerWaalsContact C-N 3.27Å; N640-K642 PolarHBondContact O-N 3.19Å; N640-K642 WeakPolarHBondContact OD1-CB 3.43Å; N640-K642 WeakPolarHBondContact OD1-CG 3.17Å; N640-K642 PolarHBondContact OD1-N 2.87Å; K642-S644 PolarHBondContact O-N 3Å; K642-S644 VanDerWaalsContact O-N 3.1Å; K642-S645 PolarHBondContact O-N 3.18Å
643	K	60.4	Low	83.6	Confident	87 Å²	87	41.6 Å²	41.6	38%	0.378	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-35.7	-179.8	-171.8	-178.8	176.9	-169.4	0	113	N165 K638 Q641	N165-K643 PolarHBondContact OD1-NZ 2.85Å; K638-K643 PolarHBondContact NZ-O 3.4Å; Q641-K643 PolarHBondContact O-N 3.33Å
644	S	66.7	Low	83.8	Confident	82 Å²	82	42.2 Å²	42.2	57%	0.573	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-14.2	-178.8	60.3	0	0	0	0	114.9	K642	K642-S644 PolarHBondContact O-N 3Å; K642-S644 VanDerWaalsContact O-N 3.1Å
645	S	77.8	Confident	84.3	Confident	27 Å²	27	41.5 Å²	41.5	19%	0.189	21%	0.212	C	C	.	.			trans	-73.9	131.4	178.1	163.2	0	0	0	0	109	K638 N640 K642	K638-S645 WeakPolarHBondContact CE-O 3.27Å; K638-S645 PolarHBondContact NZ-O 3.4Å; N640-S645 VanDerWaalsContact CB-OG 3.3Å; N640-S645 WeakPolarHBondContact CB-OG 3.48Å; K642-S645 PolarHBondContact O-N 3.18Å
646	I	83.5	Confident	85.1	Confident	23 Å²	23	42.6 Å²	42.6	12%	0.118	22%	0.216	C	C	.	.			trans	-121.3	142.9	173.4	-64	131.8	0	0	0	106.5	N171 N672	N171-I646 WeakPolarHBondContact O-CG2 3.45Å; N171-I646 VanDerWaalsContact OD1-CA 3.28Å; N171-I646 WeakPolarHBondContact OD1-CA 3.47Å; I646-N672 HydrophobicContact CB-CB 4.48Å; I646-N672 HydrophobicContact CG2-CB 4.07Å; I646-N672 WeakPolarHBondContact CG2-O 3.18Å
647	V	88.6	Confident	85.5	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.215	C	C	.	.			trans	-81.4	148.4	-179.2	-54	0	0	0	0	110.8	N171 V639 P649 N673 G674 D701 I711	N171-V647 WeakPolarHBondContact ND2-CG2 3.46Å; N171-V647 PolarHBondContact OD1-N 3.1Å; V639-V647 HydrophobicContact CG2-CG1 4.13Å; V647-P649 VanDerWaalsContact C-CD 3.49Å; V647-P649 HydrophobicContact CG2-CG 4.47Å; V647-P649 WeakPolarHBondContact O-CD 3.36Å; V647-N673 PolarHBondContact O-N 3.32Å; V647-G674 VanDerWaalsContact CG2-CA 3.48Å; V647-D701 WeakPolarHBondContact CA-OD1 3.47Å; V647-D701 HydrophobicContact CB-CB 4.27Å; V647-D701 WeakPolarHBondContact CB-OD1 3.34Å; V647-D701 HydrophobicContact CG1-CB 4.39Å; V647-I711 HydrophobicContact CB-CD1 3.95Å; V647-I711 HydrophobicContact CG1-CD1 4.23Å; V647-I711 HydrophobicContact CG2-CD1 4Å
648	D	93.6	Very high	86.2	Confident	43 Å²	43	40.3 Å²	40.3	23%	0.23	20%	0.202	C	C	.	.			trans	-108.5	74.2	174.7	-65.3	-27.2	0	0	0	108.8	V670 A671 N672 D701 H702	D648-V670 CarbonylContact C-O 3.59Å; D648-V670 VanDerWaalsContact CA-O 3.22Å; D648-V670 WeakPolarHBondContact CA-O 3.46Å; D648-A671 WeakPolarHBondContact OD1-CA 3.36Å; D648-N672 WeakPolarHBondContact OD1-CA 3.18Å; D648-N672 PolarHBondContact OD1-N 3.29Å; D648-D701 PolarHBondContact N-OD1 2.88Å; D648-H702 HydrophobicContact CB-CB 4.18Å; D648-H702 VanDerWaalsContact O-CB 3.25Å; D648-H702 WeakPolarHBondContact O-CB 3.37Å; D648-H702 PolarHBondContact O-N 3.44Å
649	P	96.1	Very high	87	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	139.4	-163.4	30	-36.1	0	0	0	112.4	L636 V647 A669 V670 N673 P677 W679 I699 E700 I711	L636-P649 HydrophobicContact CD1-CB 3.44Å; L636-P649 VanDerWaalsContact CD1-CB 3.44Å; L636-P649 HydrophobicContact CD1-CG 3.8Å; V647-P649 VanDerWaalsContact C-CD 3.49Å; V647-P649 HydrophobicContact CG2-CG 4.47Å; V647-P649 WeakPolarHBondContact O-CD 3.36Å; P649-A669 WeakPolarHBondContact O-CA 3.49Å; P649-V670 WeakPolarHBondContact CD-O 3.35Å; P649-V670 HydrophobicContact CG-CB 4.44Å; P649-V670 PolarHBondContact O-N 3.32Å; P649-N673 WeakPolarHBondContact CD-O 3.47Å; P649-N673 WeakPolarHBondContact CG-O 3.15Å; P649-P677 HydrophobicContact CG-CB 3.75Å; P649-P677 HydrophobicContact CG-CG 3.76Å; P649-W679 HydrophobicContact CB-CH2 4.46Å; P649-W679 HydrophobicContact CB-CZ2 3.99Å; P649-W679 HydrophobicContact CG-CZ2 4.02Å; P649-W679 WeakPolarHBondContact O-CZ2 3.35Å; P649-W679 PolarHBondContact O-NE1 3.19Å; P649-I699 HydrophobicContact CB-CG2 4.23Å; P649-E700 WeakPolarHBondContact CA-O 3.47Å; P649-I711 HydrophobicContact CB-CD1 4.17Å
650	L	97.2	Very high	87.8	Confident	6 Å²	6	41.9 Å²	41.9	3%	0.031	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	158.2	162.7	66.2	81.2	0	0	0	110.3	K652 A669 I699 E700 H702	L650-K652 HydrophobicContact CD1-CD 4.38Å; L650-K652 HydrophobicContact CD1-CG 3.89Å; L650-A669 HydrophobicContact CB-CB 4.25Å; L650-I699 WeakPolarHBondContact O-CA 3.45Å; L650-E700 HydrophobicContact CD1-CB 4.32Å; L650-E700 PolarHBondContact N-O 3.26Å; L650-E700 PolarHBondContact O-N 3.36Å; L650-E700 VanDerWaalsContact O-N 3.15Å; L650-H702 HydrophobicContact CD2-CB 3.95Å
651	V	98.6	Very high	89.2	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	127.4	-179.3	-175.9	0	0	0	0	110.1	V630 E666 T667 W679 L698 I699 L743	V630-V651 HydrophobicContact CG1-CB 3.95Å; V630-V651 HydrophobicContact CG1-CG1 4.04Å; V630-V651 HydrophobicContact CG1-CG2 3.92Å; V630-V651 HydrophobicContact CG2-CG1 4.24Å; V651-E666 CarbonylContact O-C 3.57Å; V651-E666 VanDerWaalsContact O-CA 3.26Å; V651-E666 WeakPolarHBondContact O-CA 3.33Å; V651-T667 HydrophobicContact CB-CG2 4.04Å; V651-T667 PolarHBondContact N-OG1 2.76Å; V651-T667 PolarHBondContact O-N 3.23Å; V651-W679 HydrophobicContact CG2-CD2 4.26Å; V651-W679 HydrophobicContact CG2-CE3 4.16Å; V651-W679 HydrophobicContact CG2-CH2 3.55Å; V651-W679 HydrophobicContact CG2-CZ2 3.68Å; V651-W679 HydrophobicContact CG2-CZ3 3.78Å; V651-L698 CarbonylContact C-O 3.47Å; V651-L698 WeakPolarHBondContact CA-O 3.41Å; V651-I699 HydrophobicContact CG2-CG1 4.16Å; V651-L743 HydrophobicContact CG1-CD1 4.47Å; V651-L743 HydrophobicContact CG1-CD2 3.82Å; V651-L743 HydrophobicContact CG2-CD1 3.81Å
652	K	98.7	Very high	90.9	Very high	29 Å²	29	33.6 Å²	33.6	13%	0.126	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	133.9	169.8	-64.5	179.3	168.4	162.8	0	110	L650 K665 E666 F697 L698 E700	L650-K652 HydrophobicContact CD1-CD 4.38Å; L650-K652 HydrophobicContact CD1-CG 3.89Å; K652-K665 CarbonylContact C-O 3.42Å; K652-K665 WeakPolarHBondContact CA-O 3.22Å; K652-E666 WeakPolarHBondContact CE-OE2 3.23Å; K652-E666 HydrophobicContact CG-CB 3.76Å; K652-E666 IonicContact NZ-OE2 2.75Å; K652-F697 WeakPolarHBondContact O-CA 3.22Å; K652-L698 HydrophobicContact CB-CB 4.23Å; K652-L698 HydrophobicContact CD-CD2 4.2Å; K652-L698 PolarHBondContact N-O 3.38Å; K652-L698 PolarHBondContact O-N 2.9Å; K652-E700 WeakPolarHBondContact CE-OE2 3.28Å; K652-E700 IonicContact NZ-OE2 2.54Å; K652-E700 PolarHBondContact NZ-OE2 3.08Å
653	V	98.8	Very high	92.5	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	116.4	168.9	-177.6	0	0	0	0	107.8	V628 V630 E664 K665 F683 F685 V695 R696 F697	V628-V653 HydrophobicContact CG1-CG2 4.25Å; V628-V653 HydrophobicContact CG2-CG1 4.41Å; V630-V653 HydrophobicContact CG2-CG2 4.06Å; V653-E664 WeakPolarHBondContact O-CA 3.36Å; V653-K665 PolarHBondContact N-O 3Å; V653-K665 PolarHBondContact O-N 3.09Å; V653-F683 HydrophobicContact CB-CD2 4.06Å; V653-F683 HydrophobicContact CB-CE2 4.46Å; V653-F683 HydrophobicContact CG2-CD2 3.83Å; V653-F683 HydrophobicContact CG2-CE2 4.01Å; V653-F685 HydrophobicContact CB-CE2 4.14Å; V653-F685 HydrophobicContact CB-CZ 3.88Å; V653-F685 HydrophobicContact CG1-CE2 3.71Å; V653-F685 HydrophobicContact CG1-CZ 3.82Å; V653-F685 WeakPolarHBondContact O-CZ 3.47Å; V653-V695 HydrophobicContact CG1-CG1 4.18Å; V653-R696 WeakPolarHBondContact CA-O 3.46Å; V653-F697 HydrophobicContact CG2-CD1 3.97Å; V653-F697 HydrophobicContact CG2-CE1 4.13Å
654	Q	98.8	Very high	94.3	Very high	14 Å²	14	29.2 Å²	29.2	7%	0.065	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	136.6	-174.2	-64.4	170.5	-40.6	0	0	110.4	Y656 A663 E664 V695 R696	Q654-Y656 HydrophobicContact CB-CD2 4.3Å; Q654-Y656 HydrophobicContact CB-CE2 3.66Å; Q654-Y656 PolarHBondContact OE1-OH 2.91Å; Q654-A663 CarbonylContact C-O 3.54Å; Q654-A663 WeakPolarHBondContact CA-O 3.44Å; Q654-E664 HydrophobicContact CG-CB 4.22Å; Q654-E664 HydrophobicContact CG-CG 3.83Å; Q654-E664 WeakPolarHBondContact CG-OE2 3.35Å; Q654-E664 PolarHBondContact NE2-OE2 3.42Å; Q654-V695 WeakPolarHBondContact O-CA 3.39Å; Q654-R696 HydrophobicContact CB-CB 4.24Å; Q654-R696 PolarHBondContact N-O 2.63Å; Q654-R696 PolarHBondContact O-N 3.45Å
655	I	98.8	Very high	95.9	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.005	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	126.9	172.6	-47.7	-59	0	0	0	108.2	L626 D661 V662 A663 F685 V687 L694 V695	L626-I655 HydrophobicContact CD2-CD1 3.72Å; I655-D661 WeakPolarHBondContact CB-O 3.08Å; I655-D661 HydrophobicContact CG2-CB 4.37Å; I655-D661 WeakPolarHBondContact CG2-O 3.49Å; I655-V662 WeakPolarHBondContact O-CA 3.44Å; I655-A663 PolarHBondContact N-O 3.14Å; I655-A663 PolarHBondContact O-N 3.23Å; I655-F685 HydrophobicContact CD1-CB 4.46Å; I655-F685 HydrophobicContact CD1-CD1 4.47Å; I655-F685 HydrophobicContact CD1-CD2 4.43Å; I655-F685 HydrophobicContact CD1-CG 4.22Å; I655-F685 HydrophobicContact CG1-CB 4.02Å; I655-F685 HydrophobicContact CG1-CD1 3.72Å; I655-F685 HydrophobicContact CG1-CD2 4.5Å; I655-F685 HydrophobicContact CG1-CE1 4.25Å; I655-F685 HydrophobicContact CG1-CG 3.84Å; I655-V687 HydrophobicContact CG2-CG2 4.22Å; I655-L694 WeakPolarHBondContact CA-O 3.19Å; I655-V695 HydrophobicContact CD1-CB 4.32Å; I655-V695 HydrophobicContact CD1-CG1 4.08Å; I655-V695 HydrophobicContact CD1-CG2 3.7Å
656	Y	98.8	Very high	96.8	Very high	36 Å²	36	33 Å²	33	14%	0.141	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	135.1	174	-67	-91.1	0	0	0	109	V560 I583 Q654 A693 L694 R696	V560-Y656 HydrophobicContact CG2-CD1 4.45Å; I583-Y656 HydrophobicContact CD1-CD1 3.73Å; I583-Y656 HydrophobicContact CD1-CD2 4.26Å; I583-Y656 HydrophobicContact CD1-CE1 3.51Å; I583-Y656 HydrophobicContact CD1-CE2 4.06Å; I583-Y656 HydrophobicContact CD1-CG 4.11Å; I583-Y656 HydrophobicContact CG1-CD2 4.4Å; I583-Y656 HydrophobicContact CG1-CE2 4.31Å; Q654-Y656 HydrophobicContact CB-CD2 4.3Å; Q654-Y656 HydrophobicContact CB-CE2 3.66Å; Q654-Y656 PolarHBondContact OE1-OH 2.91Å; Y656-A693 CarbonylContact O-C 3.58Å; Y656-A693 WeakPolarHBondContact O-CA 3.48Å; Y656-L694 PolarHBondContact N-O 2.98Å; Y656-L694 PolarHBondContact O-N 2.85Å; Y656-R696 HydrophobicContact CD2-CB 4.37Å; Y656-R696 HydrophobicContact CE2-CB 4.01Å
657	G	98.1	Very high	97.5	Very high	2 Å²	2	32.2 Å²	32.2	2%	0.021	18%	0.178	C	C	.	.	S	Bend	trans	179.3	-142.2	-179.3	0	0	0	0	0	111.1	V560 N564	V560-G657 WeakPolarHBondContact CG1-O 3.28Å; N564-G657 PolarHBondContact ND2-O 2.83Å
658	V	98.1	Very high	97.9	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.202	C	C	.	.	S	Bend	trans	-60.8	152.3	165.4	-61.7	0	0	0	0	109.8	F610 P612 L615 A660 D661 V662 V689 L692	F610-V658 HydrophobicContact CZ-CG1 4.08Å; P612-V658 HydrophobicContact CB-CB 4.31Å; P612-V658 HydrophobicContact CB-CG1 3.74Å; L615-V658 HydrophobicContact CD1-CB 4.46Å; L615-V658 HydrophobicContact CD1-CG2 3.84Å; V658-A660 PolarHBondContact O-N 3.42Å; V658-D661 HydrophobicContact CG2-CB 4.04Å; V658-D661 VanDerWaalsContact CG2-CG 3.43Å; V658-D661 WeakPolarHBondContact CG2-OD2 3.38Å; V658-D661 PolarHBondContact O-N 2.97Å; V658-V662 PolarHBondContact O-N 3.2Å; V658-V689 HydrophobicContact CG1-CB 4.13Å; V658-V689 HydrophobicContact CG1-CG1 4.45Å; V658-V689 HydrophobicContact CG1-CG2 4.13Å; V658-V689 HydrophobicContact CG2-CB 3.96Å; V658-V689 HydrophobicContact CG2-CG2 3.79Å; V658-L692 HydrophobicContact CG1-CD1 4.02Å
659	P	97.8	Very high	98.1	Very high	73 Å²	73	35.6 Å²	35.6	47%	0.474	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-49.5	-35.9	-177.9	-31.2	36	0	0	0	115.2	P612 I613 D661 V662	P612-P659 WeakPolarHBondContact O-CD 3.34Å; I613-P659 HydrophobicContact CD1-CG 3.88Å; P659-D661 VanDerWaalsContact C-N 3.27Å; P659-D661 PolarHBondContact O-N 2.84Å; P659-V662 PolarHBondContact O-N 3.13Å
660	A	97.3	Very high	98	Very high	56 Å²	56	36.9 Å²	36.9	46%	0.463	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-68.4	-21.4	178.2	0	0	0	0	0	114.5	L615 V658 Y688	L615-A660 HydrophobicContact CD1-CB 3.51Å; V658-A660 PolarHBondContact O-N 3.42Å; A660-Y688 HydrophobicContact CB-CD2 3.98Å; A660-Y688 HydrophobicContact CB-CE2 4.42Å
661	D	98.3	Very high	97.7	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-92	-14.4	-179.6	-66.7	-2.7	0	0	0	112.1	I655 V658 P659 A663 Y688 V689	I655-D661 WeakPolarHBondContact CB-O 3.08Å; I655-D661 HydrophobicContact CG2-CB 4.37Å; I655-D661 WeakPolarHBondContact CG2-O 3.49Å; V658-D661 HydrophobicContact CG2-CB 4.04Å; V658-D661 VanDerWaalsContact CG2-CG 3.43Å; V658-D661 WeakPolarHBondContact CG2-OD2 3.38Å; V658-D661 PolarHBondContact O-N 2.97Å; P659-D661 VanDerWaalsContact C-N 3.27Å; P659-D661 PolarHBondContact O-N 2.84Å; D661-A663 PolarHBondContact O-N 3Å; D661-Y688 WeakPolarHBondContact OD1-CA 3.17Å; D661-Y688 WeakPolarHBondContact OD1-CB 3.49Å; D661-Y688 WeakPolarHBondContact OD1-CD2 3.02Å; D661-Y688 PolarHBondContact OD1-N 3.14Å; D661-V689 PolarHBondContact OD2-N 2.88Å
662	V	98.4	Very high	97.2	Very high	85 Å²	85	43.7 Å²	43.7	52%	0.515	26%	0.262	S	S	.	.			trans	-68.9	118.3	-173.7	177.8	0	0	0	0	110.1	I655 V658 P659	I655-V662 WeakPolarHBondContact O-CA 3.44Å; V658-V662 PolarHBondContact O-N 3.2Å; P659-V662 PolarHBondContact O-N 3.13Å
663	A	98.6	Very high	96.7	Very high	37 Å²	37	43.9 Å²	43.9	31%	0.306	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	153.3	-178.2	0	0	0	0	0	111.6	Q654 I655 D661 F685	Q654-A663 CarbonylContact C-O 3.54Å; Q654-A663 WeakPolarHBondContact CA-O 3.44Å; I655-A663 PolarHBondContact N-O 3.14Å; I655-A663 PolarHBondContact O-N 3.23Å; D661-A663 PolarHBondContact O-N 3Å; A663-F685 HydrophobicContact CB-CD1 3.72Å; A663-F685 HydrophobicContact CB-CE1 4.22Å
664	E	98.5	Very high	96.1	Very high	99 Å²	99	43.9 Å²	43.9	46%	0.463	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	138.5	176.5	178.2	173.4	123.2	0	0	109.6	V653 Q654	V653-E664 WeakPolarHBondContact O-CA 3.36Å; Q654-E664 HydrophobicContact CG-CB 4.22Å; Q654-E664 HydrophobicContact CG-CG 3.83Å; Q654-E664 WeakPolarHBondContact CG-OE2 3.35Å; Q654-E664 PolarHBondContact NE2-OE2 3.42Å
665	K	98.7	Very high	95.5	Very high	88 Å²	88	43.5 Å²	43.5	38%	0.383	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	149.5	167.6	-66.1	-179.4	171.1	-178.2	0	109.3	K652 V653 F683 Q684 F685	K652-K665 CarbonylContact C-O 3.42Å; K652-K665 WeakPolarHBondContact CA-O 3.22Å; V653-K665 PolarHBondContact N-O 3Å; V653-K665 PolarHBondContact O-N 3.09Å; K665-F683 HydrophobicContact CB-CB 4.32Å; K665-F683 HydrophobicContact CB-CD1 3.8Å; K665-F683 HydrophobicContact CB-CD2 4.01Å; K665-F683 HydrophobicContact CB-CE1 4.12Å; K665-F683 HydrophobicContact CB-CE2 4.29Å; K665-F683 HydrophobicContact CB-CG 3.77Å; K665-F683 HydrophobicContact CB-CZ 4.36Å; K665-F683 HydrophobicContact CD-CB 3.87Å; K665-F683 HydrophobicContact CD-CD1 4.06Å; K665-F683 HydrophobicContact CD-CG 4.1Å; K665-Q684 WeakPolarHBondContact CE-O 3.41Å; K665-Q684 PolarHBondContact NZ-O 3.31Å; K665-F685 HydrophobicContact CB-CE1 4.03Å; K665-F685 HydrophobicContact CB-CZ 3.76Å; K665-F685 HydrophobicContact CD-CE1 3.94Å; K665-F685 HydrophobicContact CD-CZ 3.96Å; K665-F685 HydrophobicContact CG-CE1 3.71Å; K665-F685 HydrophobicContact CG-CZ 3.87Å
666	E	98.2	Very high	95	Very high	101 Å²	101	46.2 Å²	46.2	47%	0.472	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	152.6	-177.3	72.9	-178	-174.6	0	0	111.9	V651 K652 F683	V651-E666 CarbonylContact O-C 3.57Å; V651-E666 VanDerWaalsContact O-CA 3.26Å; V651-E666 WeakPolarHBondContact O-CA 3.33Å; K652-E666 WeakPolarHBondContact CE-OE2 3.23Å; K652-E666 HydrophobicContact CG-CB 3.76Å; K652-E666 IonicContact NZ-OE2 2.75Å; E666-F683 WeakPolarHBondContact O-CZ 3.44Å
667	T	98.6	Very high	94.8	Very high	6 Å²	6	44.5 Å²	44.5	4%	0.037	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-83.4	166	173.7	66.7	0	0	0	0	110.9	V630 V651 W679 E681 F683	V630-T667 HydrophobicContact CB-CG2 3.91Å; V630-T667 HydrophobicContact CG1-CG2 3.92Å; V630-T667 HydrophobicContact CG2-CG2 4.23Å; V651-T667 HydrophobicContact CB-CG2 4.04Å; V651-T667 PolarHBondContact N-OG1 2.76Å; V651-T667 PolarHBondContact O-N 3.23Å; T667-W679 VanDerWaalsContact CB-CD1 3.48Å; T667-W679 HydrophobicContact CG2-CB 4.16Å; T667-W679 HydrophobicContact CG2-CG 4.04Å; T667-W679 VanDerWaalsContact OG1-CD1 3.26Å; T667-W679 PolarHBondContact OG1-NE1 3.14Å; T667-E681 WeakPolarHBondContact CA-OE2 3.42Å; T667-E681 WeakPolarHBondContact CB-OE1 3.31Å; T667-E681 HydrophobicContact CG2-CB 4.18Å; T667-F683 HydrophobicContact CG2-CE2 4.08Å; T667-F683 HydrophobicContact CG2-CZ 3.64Å
668	S	96.9	Very high	94.6	Very high	72 Å²	72	47.1 Å²	47.1	50%	0.503	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-59.8	153.2	158.2	59.9	0	0	0	0	111.6	W679 E681	S668-W679 PolarHBondContact O-NE1 2.9Å; S668-E681 WeakPolarHBondContact CB-OE1 3.39Å; S668-E681 PolarHBondContact N-OE1 2.95Å; S668-E681 PolarHBondContact OG-OE1 3.12Å
669	A	96.5	Very high	94.5	Very high	41 Å²	41	48.2 Å²	48.2	34%	0.339	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-80.5	138.1	174.2	0	0	0	0	0	111	P649 L650 H702	P649-A669 WeakPolarHBondContact O-CA 3.49Å; L650-A669 HydrophobicContact CB-CB 4.25Å; A669-H702 HydrophobicContact CB-CB 3.61Å
670	V	94.4	Very high	94.5	Very high	28 Å²	28	48.5 Å²	48.5	17%	0.17	29%	0.29	C	S	.	.			trans	-93.6	115.3	173.9	178.7	0	0	0	0	108.9	D648 P649 N672 N673 P677 W679	D648-V670 CarbonylContact C-O 3.59Å; D648-V670 VanDerWaalsContact CA-O 3.22Å; D648-V670 WeakPolarHBondContact CA-O 3.46Å; P649-V670 WeakPolarHBondContact CD-O 3.35Å; P649-V670 HydrophobicContact CG-CB 4.44Å; P649-V670 PolarHBondContact O-N 3.32Å; V670-N672 PolarHBondContact O-N 3.44Å; V670-N673 HydrophobicContact CG1-CB 3.88Å; V670-P677 HydrophobicContact CB-CB 3.97Å; V670-P677 HydrophobicContact CG1-CB 4.05Å; V670-P677 HydrophobicContact CG2-CB 3.99Å; V670-W679 HydrophobicContact CG2-CD2 4.37Å; V670-W679 HydrophobicContact CG2-CG 4.34Å; V670-W679 HydrophobicContact CG2-CZ2 4.36Å
671	A	91.2	Very high	94.5	Very high	75 Å²	75	48.2 Å²	48.2	62%	0.62	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	131.2	-178.5	0	0	0	0	0	112.5	D648 N673	D648-A671 WeakPolarHBondContact OD1-CA 3.36Å; A671-N673 VanDerWaalsContact C-N 3.28Å; A671-N673 PolarHBondContact O-N 3.26Å
672	N	87.5	Confident	94.5	Very high	74 Å²	74	53.7 Å²	53.7	40%	0.396	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	38.3	170.6	-65	-82.9	0	0	0	114.8	G173 I646 D648 V670	G173-N672 PolarHBondContact N-O 3.47Å; I646-N672 HydrophobicContact CB-CB 4.48Å; I646-N672 HydrophobicContact CG2-CB 4.07Å; I646-N672 WeakPolarHBondContact CG2-O 3.18Å; D648-N672 WeakPolarHBondContact OD1-CA 3.18Å; D648-N672 PolarHBondContact OD1-N 3.29Å; V670-N672 PolarHBondContact O-N 3.44Å
673	N	88.5	Confident	94.5	Very high	32 Å²	32	50.4 Å²	50.4	17%	0.171	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-140.9	91.6	178.3	-172	1.1	0	0	0	112.5	V647 P649 V670 A671 F675 N676 P677	V647-N673 PolarHBondContact O-N 3.32Å; P649-N673 WeakPolarHBondContact CD-O 3.47Å; P649-N673 WeakPolarHBondContact CG-O 3.15Å; V670-N673 HydrophobicContact CG1-CB 3.88Å; A671-N673 VanDerWaalsContact C-N 3.28Å; A671-N673 PolarHBondContact O-N 3.26Å; N673-F675 PolarHBondContact OD1-N 3.5Å; N673-N676 PolarHBondContact ND2-O 3.1Å; N673-N676 PolarHBondContact ND2-OD1 3.14Å; N673-N676 VanDerWaalsContact ND2-OD1 3.13Å; N673-N676 PolarHBondContact OD1-N 3.47Å; N673-N676 PolarHBondContact OD1-OD1 2.83Å; N673-P677 WeakPolarHBondContact O-CB 3.45Å; N673-P677 WeakPolarHBondContact O-CD 3.42Å
674	G	86.3	Confident	94.5	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.293	C	S	.	.	S	Bend	trans	-89.3	-7.8	167.9	0	0	0	0	0	114.5	N171 Q635 L636 V647	N171-G674 WeakPolarHBondContact O-CA 3.43Å; N171-G674 PolarHBondContact O-N 2.92Å; Q635-G674 CarbonylContact C-O 3.53Å; L636-G674 WeakPolarHBondContact CA-O 2.96Å; L636-G674 VanDerWaalsContact CB-O 3.26Å; L636-G674 WeakPolarHBondContact CB-O 3.27Å; L636-G674 PolarHBondContact N-O 2.82Å; V647-G674 VanDerWaalsContact CG2-CA 3.48Å
675	F	85.9	Confident	94.5	Very high	7 Å²	7	48.6 Å²	48.6	3%	0.031	27%	0.272	C	S	.	.	S	Bend	trans	-84.6	-45.8	-174.1	-177.1	-105.7	0	0	0	113.3	W142 I143 L170 I172 L206 T207 Q634 Q635 N673	W142-F675 HydrophobicContact CZ3-CD2 4.17Å; W142-F675 AromaticContact CZ3-CE2 3.96Å; W142-F675 HydrophobicContact CZ3-CE2 3.96Å; I143-F675 HydrophobicContact CD1-CE2 4.33Å; I143-F675 HydrophobicContact CD1-CZ 4.06Å; I143-F675 HydrophobicContact CG1-CE2 4.34Å; L170-F675 HydrophobicContact CB-CD2 3.83Å; L170-F675 HydrophobicContact CB-CE2 4.27Å; L170-F675 HydrophobicContact CB-CG 4.43Å; L170-F675 HydrophobicContact CD1-CD2 4.23Å; L170-F675 HydrophobicContact CD1-CE2 3.91Å; L170-F675 HydrophobicContact CD1-CZ 4.27Å; L170-F675 HydrophobicContact CD2-CD2 4.38Å; L170-F675 HydrophobicContact CD2-CE2 4.07Å; L170-F675 HydrophobicContact CG-CD2 4.39Å; L170-F675 HydrophobicContact CG-CE2 4.33Å; L170-F675 WeakPolarHBondContact O-CB 2.97Å; I172-F675 HydrophobicContact CD1-CB 3.49Å; I172-F675 VanDerWaalsContact CD1-CB 3.49Å; I172-F675 HydrophobicContact CD1-CD1 3.68Å; I172-F675 HydrophobicContact CD1-CD2 4.45Å; I172-F675 HydrophobicContact CD1-CG 3.63Å; I172-F675 HydrophobicContact CG1-CB 3.25Å; I172-F675 HydrophobicContact CG1-CD1 4.43Å; I172-F675 HydrophobicContact CG1-CG 3.96Å; L206-F675 HydrophobicContact CD1-CD1 4.5Å; L206-F675 HydrophobicContact CD1-CE1 4.38Å; L206-F675 HydrophobicContact CD2-CE1 4.33Å; L206-F675 HydrophobicContact CD2-CZ 4.42Å; L206-F675 HydrophobicContact CG-CD1 4.38Å; L206-F675 HydrophobicContact CG-CE1 3.79Å; L206-F675 HydrophobicContact CG-CZ 4.31Å; T207-F675 HydrophobicContact CG2-CE1 4.49Å; T207-F675 HydrophobicContact CG2-CZ 4.22Å; Q634-F675 CarbonylContact C-O 3.56Å; Q634-F675 WeakPolarHBondContact CA-O 3.46Å; Q635-F675 HydrophobicContact CG-CD2 4.03Å; Q635-F675 HydrophobicContact CG-CE2 3.93Å; Q635-F675 PolarHBondContact N-O 3.38Å; N673-F675 PolarHBondContact OD1-N 3.5Å
676	N	88.4	Confident	94.4	Very high	57 Å²	57	47.6 Å²	47.6	31%	0.305	27%	0.271	S	S	.	.	S	Bend	trans	-149.5	53.5	-179.3	62.6	-13.9	0	0	0	112.1	L206 G633 N673	L206-N676 PolarHBondContact O-ND2 3.36Å; G633-N676 VanDerWaalsContact O-CA 3.31Å; G633-N676 WeakPolarHBondContact O-CA 3.3Å; N673-N676 PolarHBondContact ND2-O 3.1Å; N673-N676 PolarHBondContact ND2-OD1 3.14Å; N673-N676 VanDerWaalsContact ND2-OD1 3.13Å; N673-N676 PolarHBondContact OD1-N 3.47Å; N673-N676 PolarHBondContact OD1-OD1 2.83Å
677	P	93.8	Very high	94.5	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	25%	0.249	C	C	.	.			trans	-59.1	147.7	177.1	27.1	-35.9	0	0	0	111.3	S632 G633 L636 P649 V670 N673 W679	S632-P677 CarbonylContact C-O 3.58Å; S632-P677 WeakPolarHBondContact CA-O 3.31Å; S632-P677 VanDerWaalsContact CB-O 3.26Å; S632-P677 WeakPolarHBondContact CB-O 3.32Å; G633-P677 PolarHBondContact N-O 3Å; L636-P677 HydrophobicContact CD1-CG 3.83Å; P649-P677 HydrophobicContact CG-CB 3.75Å; P649-P677 HydrophobicContact CG-CG 3.76Å; V670-P677 HydrophobicContact CB-CB 3.97Å; V670-P677 HydrophobicContact CG1-CB 4.05Å; V670-P677 HydrophobicContact CG2-CB 3.99Å; N673-P677 WeakPolarHBondContact O-CB 3.45Å; N673-P677 WeakPolarHBondContact O-CD 3.42Å; P677-W679 HydrophobicContact CB-CH2 3.66Å; P677-W679 HydrophobicContact CB-CZ2 3.73Å; P677-W679 HydrophobicContact CB-CZ3 4.17Å; P677-W679 HydrophobicContact CG-CH2 3.38Å; P677-W679 HydrophobicContact CG-CZ2 3.91Å; P677-W679 HydrophobicContact CG-CZ3 3.95Å
678	S	94.8	Very high	94.4	Very high	58 Å²	58	46.2 Å²	46.2	41%	0.406	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	133.7	179.1	-173.9	0	0	0	0	109.3	I631 N680	I631-S678 WeakPolarHBondContact O-CA 3.46Å; I631-S678 PolarHBondContact O-OG 2.91Å; S678-N680 PolarHBondContact OG-ND2 3.23Å
679	W	96.9	Very high	94.5	Very high	22 Å²	22	42.8 Å²	42.8	8%	0.083	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	-48.9	-174.8	-64	-84.6	0	0	0	111.8	V630 I631 G633 L636 P649 V651 T667 S668 V670 P677 E681 L743	V630-W679 HydrophobicContact CG1-CB 4.47Å; V630-W679 HydrophobicContact CG1-CD2 4.27Å; V630-W679 HydrophobicContact CG1-CE3 3.84Å; V630-W679 HydrophobicContact CG1-CZ3 4.44Å; I631-W679 PolarHBondContact O-N 2.89Å; G633-W679 VanDerWaalsContact N-CZ3 3.27Å; L636-W679 HydrophobicContact CD1-CH2 4.43Å; P649-W679 HydrophobicContact CB-CH2 4.46Å; P649-W679 HydrophobicContact CB-CZ2 3.99Å; P649-W679 HydrophobicContact CG-CZ2 4.02Å; P649-W679 WeakPolarHBondContact O-CZ2 3.35Å; P649-W679 PolarHBondContact O-NE1 3.19Å; V651-W679 HydrophobicContact CG2-CD2 4.26Å; V651-W679 HydrophobicContact CG2-CE3 4.16Å; V651-W679 HydrophobicContact CG2-CH2 3.55Å; V651-W679 HydrophobicContact CG2-CZ2 3.68Å; V651-W679 HydrophobicContact CG2-CZ3 3.78Å; T667-W679 VanDerWaalsContact CB-CD1 3.48Å; T667-W679 HydrophobicContact CG2-CB 4.16Å; T667-W679 HydrophobicContact CG2-CG 4.04Å; T667-W679 VanDerWaalsContact OG1-CD1 3.26Å; T667-W679 PolarHBondContact OG1-NE1 3.14Å; S668-W679 PolarHBondContact O-NE1 2.9Å; V670-W679 HydrophobicContact CG2-CD2 4.37Å; V670-W679 HydrophobicContact CG2-CG 4.34Å; V670-W679 HydrophobicContact CG2-CZ2 4.36Å; P677-W679 HydrophobicContact CB-CH2 3.66Å; P677-W679 HydrophobicContact CB-CZ2 3.73Å; P677-W679 HydrophobicContact CB-CZ3 4.17Å; P677-W679 HydrophobicContact CG-CH2 3.38Å; P677-W679 HydrophobicContact CG-CZ2 3.91Å; P677-W679 HydrophobicContact CG-CZ3 3.95Å; W679-E681 VanDerWaalsContact C-N 3.27Å; W679-E681 HydrophobicContact CB-CG 4.28Å; W679-E681 PolarHBondContact O-N 3.28Å; W679-L743 HydrophobicContact CE3-CD1 4.37Å; W679-L743 HydrophobicContact CH2-CD1 4.34Å; W679-L743 HydrophobicContact CZ3-CD1 3.66Å
680	N	95.9	Very high	94.5	Very high	79 Å²	79	41 Å²	41	42%	0.422	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	54.1	38.6	-174.1	-62.6	-57.7	0	0	0	114.3	M629 V630 I631 S678	M629-N680 HydrophobicContact CE-CB 3.83Å; V630-N680 VanDerWaalsContact O-CA 3.3Å; V630-N680 WeakPolarHBondContact O-CA 3.34Å; V630-N680 PolarHBondContact O-N 3.43Å; I631-N680 WeakPolarHBondContact CG2-OD1 3.35Å; I631-N680 PolarHBondContact O-N 2.98Å; S678-N680 PolarHBondContact OG-ND2 3.23Å
681	E	98.3	Very high	94.7	Very high	51 Å²	51	43.2 Å²	43.2	24%	0.238	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	141.3	-177.2	-66.8	-171.1	-136	0	0	111.9	M629 V630 T667 S668 W679 F683	M629-E681 CarbonylContact C-O 3.51Å; M629-E681 VanDerWaalsContact CA-O 3.29Å; M629-E681 WeakPolarHBondContact CA-O 3.46Å; V630-E681 PolarHBondContact N-O 3.15Å; V630-E681 PolarHBondContact O-N 2.99Å; T667-E681 WeakPolarHBondContact CA-OE2 3.42Å; T667-E681 WeakPolarHBondContact CB-OE1 3.31Å; T667-E681 HydrophobicContact CG2-CB 4.18Å; S668-E681 WeakPolarHBondContact CB-OE1 3.39Å; S668-E681 PolarHBondContact N-OE1 2.95Å; S668-E681 PolarHBondContact OG-OE1 3.12Å; W679-E681 VanDerWaalsContact C-N 3.27Å; W679-E681 HydrophobicContact CB-CG 4.28Å; W679-E681 PolarHBondContact O-N 3.28Å; E681-F683 HydrophobicContact CB-CE1 4.29Å; E681-F683 HydrophobicContact CB-CZ 4.43Å
682	N	97.9	Very high	95	Very high	116 Å²	116	39.6 Å²	39.6	62%	0.62	20%	0.201	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-110.7	127.1	-174.3	-75.7	-82.3	0	0	0	111.6	M629	M629-N682 WeakPolarHBondContact CB-OD1 3.33Å; M629-N682 WeakPolarHBondContact CG-OD1 3.42Å
683	F	98.5	Very high	95.5	Very high	16 Å²	16	36.1 Å²	36.1	7%	0.07	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	151.7	175.7	-55.7	-30.7	0	0	0	111.3	H627 V628 V630 V653 K665 E666 T667 E681 F685	H627-F683 VanDerWaalsContact CA-O 3.3Å; H627-F683 WeakPolarHBondContact CA-O 3.38Å; V628-F683 PolarHBondContact N-O 3.32Å; V628-F683 PolarHBondContact O-N 2.94Å; V630-F683 HydrophobicContact CG2-CD2 4.16Å; V630-F683 HydrophobicContact CG2-CE2 3.77Å; V653-F683 HydrophobicContact CB-CD2 4.06Å; V653-F683 HydrophobicContact CB-CE2 4.46Å; V653-F683 HydrophobicContact CG2-CD2 3.83Å; V653-F683 HydrophobicContact CG2-CE2 4.01Å; K665-F683 HydrophobicContact CB-CB 4.32Å; K665-F683 HydrophobicContact CB-CD1 3.8Å; K665-F683 HydrophobicContact CB-CD2 4.01Å; K665-F683 HydrophobicContact CB-CE1 4.12Å; K665-F683 HydrophobicContact CB-CE2 4.29Å; K665-F683 HydrophobicContact CB-CG 3.77Å; K665-F683 HydrophobicContact CB-CZ 4.36Å; K665-F683 HydrophobicContact CD-CB 3.87Å; K665-F683 HydrophobicContact CD-CD1 4.06Å; K665-F683 HydrophobicContact CD-CG 4.1Å; E666-F683 WeakPolarHBondContact O-CZ 3.44Å; T667-F683 HydrophobicContact CG2-CE2 4.08Å; T667-F683 HydrophobicContact CG2-CZ 3.64Å; E681-F683 HydrophobicContact CB-CE1 4.29Å; E681-F683 HydrophobicContact CB-CZ 4.43Å; F683-F685 HydrophobicContact CB-CD2 4.37Å; F683-F685 HydrophobicContact CB-CE2 3.52Å; F683-F685 HydrophobicContact CB-CZ 3.93Å; F683-F685 HydrophobicContact CD2-CE2 4.48Å; F683-F685 HydrophobicContact CD2-CZ 4.43Å; F683-F685 HydrophobicContact CG-CE2 4.4Å; F683-F685 HydrophobicContact CG-CZ 4.45Å
684	Q	98.4	Very high	96	Very high	93 Å²	93	34.6 Å²	34.6	44%	0.435	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	133.5	175.3	-177.6	179.4	-30.2	0	0	108.8	T625 L626 H627 K665	T625-Q684 HydrophobicContact CG2-CG 3.41Å; T625-Q684 VanDerWaalsContact CG2-CG 3.41Å; L626-Q684 CarbonylContact O-C 3.5Å; L626-Q684 VanDerWaalsContact O-CA 3.3Å; L626-Q684 WeakPolarHBondContact O-CA 3.4Å; H627-Q684 PolarHBondContact CE1-OE1 3.2Å; K665-Q684 WeakPolarHBondContact CE-O 3.41Å; K665-Q684 PolarHBondContact NZ-O 3.31Å
685	F	98.5	Very high	96.6	Very high	5 Å²	5	34.6 Å²	34.6	2%	0.022	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	141.6	179.2	-55.9	-88.8	0	0	0	110	T625 L626 V653 I655 A663 K665 F683	T625-F685 CarbonylContact C-O 3.45Å; T625-F685 WeakPolarHBondContact CA-O 3.37Å; L626-F685 HydrophobicContact CB-CB 4.37Å; L626-F685 HydrophobicContact CD2-CD2 4.31Å; L626-F685 HydrophobicContact CG-CD2 4.41Å; L626-F685 PolarHBondContact N-O 2.61Å; L626-F685 PolarHBondContact O-N 2.84Å; V653-F685 HydrophobicContact CB-CE2 4.14Å; V653-F685 HydrophobicContact CB-CZ 3.88Å; V653-F685 HydrophobicContact CG1-CE2 3.71Å; V653-F685 HydrophobicContact CG1-CZ 3.82Å; V653-F685 WeakPolarHBondContact O-CZ 3.47Å; I655-F685 HydrophobicContact CD1-CB 4.46Å; I655-F685 HydrophobicContact CD1-CD1 4.47Å; I655-F685 HydrophobicContact CD1-CD2 4.43Å; I655-F685 HydrophobicContact CD1-CG 4.22Å; I655-F685 HydrophobicContact CG1-CB 4.02Å; I655-F685 HydrophobicContact CG1-CD1 3.72Å; I655-F685 HydrophobicContact CG1-CD2 4.5Å; I655-F685 HydrophobicContact CG1-CE1 4.25Å; I655-F685 HydrophobicContact CG1-CG 3.84Å; A663-F685 HydrophobicContact CB-CD1 3.72Å; A663-F685 HydrophobicContact CB-CE1 4.22Å; K665-F685 HydrophobicContact CB-CE1 4.03Å; K665-F685 HydrophobicContact CB-CZ 3.76Å; K665-F685 HydrophobicContact CD-CE1 3.94Å; K665-F685 HydrophobicContact CD-CZ 3.96Å; K665-F685 HydrophobicContact CG-CE1 3.71Å; K665-F685 HydrophobicContact CG-CZ 3.87Å; F683-F685 HydrophobicContact CB-CD2 4.37Å; F683-F685 HydrophobicContact CB-CE2 3.52Å; F683-F685 HydrophobicContact CB-CZ 3.93Å; F683-F685 HydrophobicContact CD2-CE2 4.48Å; F683-F685 HydrophobicContact CD2-CZ 4.43Å; F683-F685 HydrophobicContact CG-CE2 4.4Å; F683-F685 HydrophobicContact CG-CZ 4.45Å
686	D	97.9	Very high	97.2	Very high	66 Å²	66	34.4 Å²	34.4	35%	0.353	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	132	168.9	-70.4	-60.9	0	0	0	109.3	H623 Y688	H623-D686 IonicContact CD2-OD1 3.97Å; H623-D686 IonicContact CE1-OD1 3.76Å; H623-D686 IonicContact NE2-OD1 2.91Å; H623-D686 PolarHBondContact NE2-OD1 3.17Å; D686-Y688 HydrophobicContact CB-CE2 4.12Å
687	V	98.3	Very high	97.7	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	107.6	179.8	-176.6	0	0	0	0	108.5	H623 K624 I655 P690 A693 F718	H623-V687 CarbonylContact C-O 3.39Å; H623-V687 WeakPolarHBondContact CA-O 3.21Å; K624-V687 PolarHBondContact N-O 3.28Å; K624-V687 PolarHBondContact O-N 2.93Å; I655-V687 HydrophobicContact CG2-CG2 4.22Å; V687-P690 HydrophobicContact CG1-CB 4.44Å; V687-P690 HydrophobicContact CG1-CG 4.15Å; V687-A693 HydrophobicContact CG1-CB 3.7Å; V687-F718 HydrophobicContact CB-CD2 4.49Å; V687-F718 HydrophobicContact CB-CE2 4Å; V687-F718 HydrophobicContact CB-CZ 4.32Å; V687-F718 HydrophobicContact CG1-CD2 4.15Å; V687-F718 HydrophobicContact CG1-CE2 4.11Å; V687-F718 HydrophobicContact CG1-CZ 4.46Å; V687-F718 HydrophobicContact CG2-CD2 4.09Å; V687-F718 HydrophobicContact CG2-CE2 3.63Å; V687-F718 HydrophobicContact CG2-CZ 4.37Å
688	Y	97.6	Very high	98	Very high	79 Å²	79	32 Å²	32	31%	0.31	16%	0.16	S	C	.	.	S	Bend	trans	-85.6	-32.5	-176.6	-60.4	-82.9	0	0	0	112.7	Q622 H623 A660 D661 D686 P690	Q622-Y688 CarbonylContact C-O 3.53Å; Q622-Y688 PolarHBondContact N-O 3.24Å; H623-Y688 HydrophobicContact CB-CD1 4.14Å; H623-Y688 AromaticContact CD2-CD1 3.92Å; H623-Y688 AromaticContact CD2-CE1 3.82Å; H623-Y688 AromaticContact CE1-CE1 3.85Å; H623-Y688 AromaticContact CG-CD1 3.83Å; H623-Y688 AromaticContact CG-CE1 3.82Å; H623-Y688 AromaticContact ND1-CE1 3.84Å; H623-Y688 AromaticContact NE2-CE1 3.86Å; A660-Y688 HydrophobicContact CB-CD2 3.98Å; A660-Y688 HydrophobicContact CB-CE2 4.42Å; D661-Y688 WeakPolarHBondContact OD1-CA 3.17Å; D661-Y688 WeakPolarHBondContact OD1-CB 3.49Å; D661-Y688 WeakPolarHBondContact OD1-CD2 3.02Å; D661-Y688 PolarHBondContact OD1-N 3.14Å; D686-Y688 HydrophobicContact CB-CE2 4.12Å; Y688-P690 VanDerWaalsContact C-CD 3.46Å; Y688-P690 WeakPolarHBondContact O-CD 3.17Å
689	V	98.1	Very high	98.1	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.141	C	C	.	.			trans	-125.2	72.4	180	-168.7	0	0	0	0	111.3	Y602 L615 W620 V658 D661 E691 L692 A693	Y602-V689 WeakPolarHBondContact OH-CG1 3.44Å; L615-V689 HydrophobicContact CD1-CG2 4.39Å; L615-V689 HydrophobicContact CD2-CG2 3.75Å; W620-V689 HydrophobicContact CB-CG1 4.4Å; V658-V689 HydrophobicContact CG1-CB 4.13Å; V658-V689 HydrophobicContact CG1-CG1 4.45Å; V658-V689 HydrophobicContact CG1-CG2 4.13Å; V658-V689 HydrophobicContact CG2-CB 3.96Å; V658-V689 HydrophobicContact CG2-CG2 3.79Å; D661-V689 PolarHBondContact OD2-N 2.88Å; V689-E691 VanDerWaalsContact C-N 3.26Å; V689-E691 PolarHBondContact O-N 2.91Å; V689-E691 VanDerWaalsContact O-N 3.12Å; V689-L692 HydrophobicContact CG1-CB 4.22Å; V689-L692 HydrophobicContact CG1-CD1 4.09Å; V689-L692 HydrophobicContact CG1-CG 4.17Å; V689-L692 PolarHBondContact O-N 3.36Å; V689-A693 PolarHBondContact O-N 2.96Å
690	P	97.9	Very high	98.1	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.013	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-34.8	-177	-29	35.8	0	0	0	115.6	Q622 K624 V687 Y688 L692 A693 F718 N719	Q622-P690 HydrophobicContact CB-CG 4.07Å; Q622-P690 WeakPolarHBondContact O-CD 3.08Å; Q622-P690 VanDerWaalsContact O-CG 3.26Å; Q622-P690 WeakPolarHBondContact O-CG 3.46Å; K624-P690 HydrophobicContact CG-CG 3.68Å; V687-P690 HydrophobicContact CG1-CB 4.44Å; V687-P690 HydrophobicContact CG1-CG 4.15Å; Y688-P690 VanDerWaalsContact C-CD 3.46Å; Y688-P690 WeakPolarHBondContact O-CD 3.17Å; P690-L692 PolarHBondContact O-N 3.43Å; P690-A693 PolarHBondContact O-N 3.24Å; P690-F718 HydrophobicContact CB-CD1 3.64Å; P690-F718 HydrophobicContact CB-CE1 3.88Å; P690-F718 HydrophobicContact CB-CG 4.43Å; P690-F718 HydrophobicContact CG-CD1 4.48Å; P690-F718 HydrophobicContact CG-CE1 4.28Å; P690-N719 WeakPolarHBondContact CB-OD1 3.37Å
691	E	97.6	Very high	98	Very high	75 Å²	75	26.5 Å²	26.5	35%	0.35	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-23.5	-178.8	-69.8	-170.4	-108.7	0	0	113.5	P600 V689	P600-E691 HydrophobicContact CB-CB 4.34Å; P600-E691 HydrophobicContact CG-CB 3.97Å; V689-E691 VanDerWaalsContact C-N 3.26Å; V689-E691 PolarHBondContact O-N 2.91Å; V689-E691 VanDerWaalsContact O-N 3.12Å
692	L	98.3	Very high	97.7	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-16.1	175.7	-68.3	178.2	0	0	0	113.1	F303 R587 P600 Y602 M603 F610 V658 V689 P690	F303-L692 HydrophobicContact CE2-CD2 4.37Å; F303-L692 HydrophobicContact CZ-CD2 4.26Å; R587-L692 PolarHBondContact NH1-O 3.5Å; R587-L692 PolarHBondContact NH2-O 3.08Å; P600-L692 HydrophobicContact CG-CD2 3.8Å; P600-L692 HydrophobicContact CG-CG 4.23Å; Y602-L692 HydrophobicContact CE2-CD1 4.49Å; M603-L692 HydrophobicContact SD-CD1 4.03Å; M603-L692 HydrophobicContact SD-CD2 3.83Å; M603-L692 HydrophobicContact SD-CG 4.43Å; F610-L692 HydrophobicContact CE1-CD1 3.91Å; F610-L692 HydrophobicContact CZ-CD1 3.71Å; V658-L692 HydrophobicContact CG1-CD1 4.02Å; V689-L692 HydrophobicContact CG1-CB 4.22Å; V689-L692 HydrophobicContact CG1-CD1 4.09Å; V689-L692 HydrophobicContact CG1-CG 4.17Å; V689-L692 PolarHBondContact O-N 3.36Å; P690-L692 PolarHBondContact O-N 3.43Å
693	A	98.7	Very high	97.2	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.117	C	C	.	.			trans	-72.8	143.7	-175.5	0	0	0	0	0	113.4	Y656 V687 V689 P690 F718	Y656-A693 CarbonylContact O-C 3.58Å; Y656-A693 WeakPolarHBondContact O-CA 3.48Å; V687-A693 HydrophobicContact CG1-CB 3.7Å; V689-A693 PolarHBondContact O-N 2.96Å; P690-A693 PolarHBondContact O-N 3.24Å; A693-F718 HydrophobicContact CB-CB 3.79Å; A693-F718 HydrophobicContact CB-CG 4.34Å; A693-F718 PolarHBondContact O-N 2.81Å
694	L	98.9	Very high	96.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	144.2	171.2	-56.7	171.6	0	0	0	108.2	W563 I583 R587 I655 Y656 T715 L716 P717	W563-L694 HydrophobicContact CZ3-CD1 4.32Å; I583-L694 HydrophobicContact CG2-CD1 3.58Å; R587-L694 HydrophobicContact CB-CD1 4.39Å; R587-L694 HydrophobicContact CB-CD2 4.41Å; I655-L694 WeakPolarHBondContact CA-O 3.19Å; Y656-L694 PolarHBondContact N-O 2.98Å; Y656-L694 PolarHBondContact O-N 2.85Å; L694-T715 HydrophobicContact CB-CG2 4.31Å; L694-L716 WeakPolarHBondContact CA-O 3.4Å; L694-P717 HydrophobicContact CD2-CB 4.07Å; L694-P717 HydrophobicContact CD2-CG 4Å
695	V	98.8	Very high	95.5	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	128.8	174.5	-176.7	0	0	0	0	108.6	L626 V653 Q654 I655 F697 T715 L716 F718 L721	L626-V695 HydrophobicContact CD2-CG2 4.03Å; V653-V695 HydrophobicContact CG1-CG1 4.18Å; Q654-V695 WeakPolarHBondContact O-CA 3.39Å; I655-V695 HydrophobicContact CD1-CB 4.32Å; I655-V695 HydrophobicContact CD1-CG1 4.08Å; I655-V695 HydrophobicContact CD1-CG2 3.7Å; V695-F697 HydrophobicContact CG1-CD2 4.49Å; V695-F697 HydrophobicContact CG1-CE2 3.9Å; V695-F697 HydrophobicContact CG1-CZ 4.15Å; V695-T715 WeakPolarHBondContact O-CA 3.47Å; V695-L716 PolarHBondContact N-O 3.29Å; V695-L716 PolarHBondContact O-N 2.99Å; V695-F718 HydrophobicContact CG2-CB 4.43Å; V695-F718 HydrophobicContact CG2-CD2 3.95Å; V695-L721 HydrophobicContact CB-CD1 4.22Å; V695-L721 HydrophobicContact CG2-CD1 3.67Å
696	R	98.7	Very high	94.9	Very high	4 Å²	4	33.3 Å²	33.3	2%	0.015	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	124.8	177.9	175.6	170.2	-175.7	-123.6	14.4	110	T579 D582 V653 Q654 Y656 Y714 T715	T579-R696 PolarHBondContact OG1-NH2 3.31Å; D582-R696 IonicContact OD2-CZ 2.69Å; D582-R696 IonicContact OD2-NE 3.81Å; D582-R696 IonicContact OD2-NH2 2.67Å; D582-R696 PolarHBondContact OD2-NH2 2.98Å; V653-R696 WeakPolarHBondContact CA-O 3.46Å; Q654-R696 HydrophobicContact CB-CB 4.24Å; Q654-R696 PolarHBondContact N-O 2.63Å; Q654-R696 PolarHBondContact O-N 3.45Å; Y656-R696 HydrophobicContact CD2-CB 4.37Å; Y656-R696 HydrophobicContact CE2-CB 4.01Å; R696-Y714 CarbonylContact C-O 3.44Å; R696-Y714 WeakPolarHBondContact CA-O 3.35Å; R696-T715 HydrophobicContact CB-CG2 4.08Å; R696-T715 WeakPolarHBondContact CB-OG1 3.4Å; R696-T715 WeakPolarHBondContact CD-OG1 3.42Å; R696-T715 VanDerWaalsContact CG-OG1 3.27Å; R696-T715 WeakPolarHBondContact CG-OG1 3.01Å
697	F	98.8	Very high	94.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	120.9	167.2	-59.6	-93.6	0	0	0	107.3	V628 K652 V653 V695 Q713 Y714 L716 V728 L743 V745	V628-F697 HydrophobicContact CG1-CE1 3.97Å; K652-F697 WeakPolarHBondContact O-CA 3.22Å; V653-F697 HydrophobicContact CG2-CD1 3.97Å; V653-F697 HydrophobicContact CG2-CE1 4.13Å; V695-F697 HydrophobicContact CG1-CD2 4.49Å; V695-F697 HydrophobicContact CG1-CE2 3.9Å; V695-F697 HydrophobicContact CG1-CZ 4.15Å; F697-Q713 CarbonylContact O-C 3.48Å; F697-Q713 WeakPolarHBondContact O-CA 3.21Å; F697-Q713 WeakPolarHBondContact O-CB 3.29Å; F697-Y714 PolarHBondContact N-O 2.91Å; F697-Y714 PolarHBondContact O-N 3.4Å; F697-L716 HydrophobicContact CD2-CD2 4.41Å; F697-L716 HydrophobicContact CE2-CD2 4.08Å; F697-V728 HydrophobicContact CB-CG1 4.29Å; F697-V728 HydrophobicContact CD1-CG2 4.38Å; F697-V728 HydrophobicContact CD2-CG1 3.86Å; F697-V728 HydrophobicContact CD2-CG2 4.36Å; F697-V728 HydrophobicContact CE1-CG2 4.29Å; F697-V728 HydrophobicContact CE2-CG1 4.42Å; F697-V728 HydrophobicContact CE2-CG2 4.28Å; F697-V728 HydrophobicContact CG-CG1 4.07Å; F697-V728 HydrophobicContact CG-CG2 4.42Å; F697-V728 HydrophobicContact CZ-CG2 4.24Å; F697-L743 HydrophobicContact CD1-CD2 3.9Å; F697-V745 HydrophobicContact CE1-CG1 4.21Å
698	L	98.5	Very high	93.9	Very high	6 Å²	6	39.3 Å²	39.3	3%	0.031	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	134.1	178.8	168.9	66.4	0	0	0	108.8	V651 K652 E700 F710 Q713	V651-L698 CarbonylContact C-O 3.47Å; V651-L698 WeakPolarHBondContact CA-O 3.41Å; K652-L698 HydrophobicContact CB-CB 4.23Å; K652-L698 HydrophobicContact CD-CD2 4.2Å; K652-L698 PolarHBondContact N-O 3.38Å; K652-L698 PolarHBondContact O-N 2.9Å; L698-E700 HydrophobicContact CD1-CG 4.19Å; L698-E700 HydrophobicContact CD2-CG 4.08Å; L698-E700 HydrophobicContact CG-CG 3.87Å; L698-F710 HydrophobicContact CD1-CD2 3.66Å; L698-F710 HydrophobicContact CD1-CE2 3.77Å; L698-Q713 HydrophobicContact CD1-CB 4.18Å
699	I	98	Very high	93.6	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	128.6	177.4	-56.5	86	0	0	0	107.6	L636 P649 L650 V651 I711 G712 L730	L636-I699 HydrophobicContact CD1-CG2 3.89Å; L636-I699 HydrophobicContact CD2-CG2 4.38Å; P649-I699 HydrophobicContact CB-CG2 4.23Å; L650-I699 WeakPolarHBondContact O-CA 3.45Å; V651-I699 HydrophobicContact CG2-CG1 4.16Å; I699-I711 HydrophobicContact CB-CB 4.31Å; I699-I711 HydrophobicContact CG2-CB 4.04Å; I699-I711 HydrophobicContact CG2-CD1 4.04Å; I699-I711 HydrophobicContact CG2-CG2 4.14Å; I699-I711 WeakPolarHBondContact O-CB 3.45Å; I699-I711 PolarHBondContact O-N 3.32Å; I699-G712 WeakPolarHBondContact CD1-O 3.38Å; I699-G712 PolarHBondContact N-O 3.34Å; I699-G712 PolarHBondContact O-N 3.16Å; I699-L730 HydrophobicContact CD1-CD1 3.81Å; I699-L730 HydrophobicContact CD1-CD2 3.36Å; I699-L730 HydrophobicContact CD1-CG 4.23Å; I699-L730 HydrophobicContact CG1-CD1 4.38Å
700	E	96.3	Very high	93.4	Very high	28 Å²	28	41.1 Å²	41.1	13%	0.131	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	152.3	-179.7	-49.5	-175.5	133	0	0	110.5	P649 L650 K652 L698 N708 E709	P649-E700 WeakPolarHBondContact CA-O 3.47Å; L650-E700 HydrophobicContact CD1-CB 4.32Å; L650-E700 PolarHBondContact N-O 3.26Å; L650-E700 PolarHBondContact O-N 3.36Å; L650-E700 VanDerWaalsContact O-N 3.15Å; K652-E700 WeakPolarHBondContact CE-OE2 3.28Å; K652-E700 IonicContact NZ-OE2 2.54Å; K652-E700 PolarHBondContact NZ-OE2 3.08Å; L698-E700 HydrophobicContact CD1-CG 4.19Å; L698-E700 HydrophobicContact CD2-CG 4.08Å; L698-E700 HydrophobicContact CG-CG 3.87Å; E700-N708 HydrophobicContact CB-CB 3.71Å; E700-N708 HydrophobicContact CG-CB 4.38Å; E700-N708 PolarHBondContact OE2-ND2 3.44Å; E700-E709 CarbonylContact C-O 3.5Å; E700-E709 VanDerWaalsContact CA-O 3.31Å; E700-E709 WeakPolarHBondContact CA-O 3.41Å
701	D	94.6	Very high	93.2	Very high	15 Å²	15	41.4 Å²	41.4	8%	0.08	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	113.6	169.2	-169.3	9.6	0	0	0	108.2	V639 V647 D648 D703 N708 E709 I711	V639-D701 HydrophobicContact CG2-CB 3.98Å; V647-D701 WeakPolarHBondContact CA-OD1 3.47Å; V647-D701 HydrophobicContact CB-CB 4.27Å; V647-D701 WeakPolarHBondContact CB-OD1 3.34Å; V647-D701 HydrophobicContact CG1-CB 4.39Å; D648-D701 PolarHBondContact N-OD1 2.88Å; D701-D703 PolarHBondContact O-N 3.27Å; D701-N708 CarbonylContact O-C 3.6Å; D701-N708 VanDerWaalsContact O-CA 3.22Å; D701-N708 WeakPolarHBondContact O-CA 3.46Å; D701-N708 WeakPolarHBondContact O-CB 3.38Å; D701-E709 HydrophobicContact CB-CB 4.25Å; D701-E709 PolarHBondContact N-O 2.95Å; D701-E709 PolarHBondContact O-N 3.49Å; D701-I711 HydrophobicContact CB-CD1 3.94Å; D701-I711 HydrophobicContact CB-CG1 4.11Å
702	H	92.1	Very high	93.1	Very high	72 Å²	72	37.9 Å²	37.9	33%	0.333	21%	0.213	S	C	.	.			trans	-71.7	127.9	-176.9	-178.2	52.4	0	0	0	111.4	D648 L650 A669 N708	D648-H702 HydrophobicContact CB-CB 4.18Å; D648-H702 VanDerWaalsContact O-CB 3.25Å; D648-H702 WeakPolarHBondContact O-CB 3.37Å; D648-H702 PolarHBondContact O-N 3.44Å; L650-H702 HydrophobicContact CD2-CB 3.95Å; A669-H702 HydrophobicContact CB-CB 3.61Å; H702-N708 WeakPolarHBondContact CA-OD1 3.33Å; H702-N708 PolarHBondContact ND1-OD1 2.75Å
703	D	86.4	Confident	93.1	Very high	57 Å²	57	37.9 Å²	37.9	31%	0.305	21%	0.213	S	C	.	.			trans	-123.4	125.3	169.2	-169.3	-23.5	0	0	0	109.5	D701 T705 S706 N708	D701-D703 PolarHBondContact O-N 3.27Å; D703-T705 PolarHBondContact O-N 3.04Å; D703-T705 WeakPolarHBondContact OD1-CA 3.44Å; D703-T705 PolarHBondContact OD1-N 2.75Å; D703-T705 PolarHBondContact OD1-OG1 2.67Å; D703-S706 VanDerWaalsContact CG-OG 3.24Å; D703-S706 VanDerWaalsContact O-O 3.06Å; D703-S706 PolarHBondContact OD1-N 3.36Å; D703-S706 PolarHBondContact OD2-OG 2.99Å; D703-N708 PolarHBondContact N-OD1 3.48Å
704	S	82.1	Confident	93.1	Very high	108 Å²	108	38.8 Å²	38.8	76%	0.755	22%	0.216	S	C	*	.	S	Bend	trans	-71.5	-14.1	177.5	62.8	0	0	0	0	113.7
705	T	79.3	Confident	93.1	Very high	122 Å²	122	39 Å²	39	75%	0.748	22%	0.217	S	C	*	.	S	Bend	trans	-120	-10.9	-170.9	64.3	0	0	0	0	114.2	D703	D703-T705 PolarHBondContact O-N 3.04Å; D703-T705 WeakPolarHBondContact OD1-CA 3.44Å; D703-T705 PolarHBondContact OD1-N 2.75Å; D703-T705 PolarHBondContact OD1-OG1 2.67Å
706	S	85.3	Confident	93.1	Very high	65 Å²	65	39 Å²	39	46%	0.455	22%	0.217	S	C	.	.	S	Bend	trans	-144.6	177.2	179.8	80.6	0	0	0	0	111.3	D703	D703-S706 VanDerWaalsContact CG-OG 3.24Å; D703-S706 VanDerWaalsContact O-O 3.06Å; D703-S706 PolarHBondContact OD1-N 3.36Å; D703-S706 PolarHBondContact OD2-OG 2.99Å
707	D	86.1	Confident	93.1	Very high	149 Å²	149	39.6 Å²	39.6	80%	0.797	22%	0.222	S	C	*	.	P	Polyproline II helix	trans	-66.4	139.7	175.5	-64.9	-33.4	0	0	0	110.1	E709	D707-E709 PolarHBondContact O-N 3.34Å
708	N	90.3	Very high	93.1	Very high	43 Å²	43	40 Å²	40	23%	0.23	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-57.1	140.9	177.5	-61.3	-20.1	0	0	0	111.1	E700 D701 H702 D703	E700-N708 HydrophobicContact CB-CB 3.71Å; E700-N708 HydrophobicContact CG-CB 4.38Å; E700-N708 PolarHBondContact OE2-ND2 3.44Å; D701-N708 CarbonylContact O-C 3.6Å; D701-N708 VanDerWaalsContact O-CA 3.22Å; D701-N708 WeakPolarHBondContact O-CA 3.46Å; D701-N708 WeakPolarHBondContact O-CB 3.38Å; H702-N708 WeakPolarHBondContact CA-OD1 3.33Å; H702-N708 PolarHBondContact ND1-OD1 2.75Å; D703-N708 PolarHBondContact N-OD1 3.48Å
709	E	91.6	Very high	93	Very high	83 Å²	83	43.4 Å²	43.4	39%	0.388	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	134.6	178.8	-52.1	-166.3	121.2	0	0	111.8	V639 E700 D701 D707 I711	V639-E709 HydrophobicContact CB-CB 4.21Å; V639-E709 WeakPolarHBondContact CB-OE2 3.44Å; V639-E709 HydrophobicContact CG1-CB 3.62Å; V639-E709 HydrophobicContact CG1-CG 4.36Å; V639-E709 VanDerWaalsContact CG1-OE2 3.26Å; V639-E709 WeakPolarHBondContact CG1-OE2 3.46Å; V639-E709 HydrophobicContact CG2-CB 4.34Å; E700-E709 CarbonylContact C-O 3.5Å; E700-E709 VanDerWaalsContact CA-O 3.31Å; E700-E709 WeakPolarHBondContact CA-O 3.41Å; D701-E709 HydrophobicContact CB-CB 4.25Å; D701-E709 PolarHBondContact N-O 2.95Å; D701-E709 PolarHBondContact O-N 3.49Å; D707-E709 PolarHBondContact O-N 3.34Å; E709-I711 PolarHBondContact O-N 3.27Å
710	F	93.9	Very high	93	Very high	34 Å²	34	43.4 Å²	43.4	15%	0.149	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	127.4	177	176.8	-81.1	0	0	0	112.6	L698 G712 Q713 R733	L698-F710 HydrophobicContact CD1-CD2 3.66Å; L698-F710 HydrophobicContact CD1-CE2 3.77Å; F710-G712 VanDerWaalsContact CZ-CA 3.49Å; F710-Q713 HydrophobicContact CE2-CB 3.81Å; F710-Q713 HydrophobicContact CE2-CG 3.77Å; F710-Q713 HydrophobicContact CZ-CB 4.04Å; F710-Q713 HydrophobicContact CZ-CG 3.77Å; F710-R733 HydrophobicContact CD1-CB 4.07Å; F710-R733 HydrophobicContact CD1-CG 4.16Å; F710-R733 HydrophobicContact CE1-CB 3.96Å; F710-R733 HydrophobicContact CE1-CG 4.33Å; F710-R733 VanDerWaalsContact CE1-N 3.29Å; F710-R733 HydrophobicContact CG-CG 4.47Å
711	I	93.6	Very high	93	Very high	8 Å²	8	43 Å²	43	4%	0.041	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	-54.1	171.1	-66.5	175.3	0	0	0	110.5	L636 P637 V639 V647 P649 I699 D701 E709	L636-I711 HydrophobicContact CB-CG2 4.01Å; L636-I711 HydrophobicContact CD2-CG2 4.42Å; P637-I711 HydrophobicContact CG-CG2 3.93Å; V639-I711 HydrophobicContact CG2-CB 4.49Å; V639-I711 HydrophobicContact CG2-CD1 4.46Å; V639-I711 HydrophobicContact CG2-CG1 3.5Å; V639-I711 VanDerWaalsContact CG2-CG1 3.5Å; V647-I711 HydrophobicContact CB-CD1 3.95Å; V647-I711 HydrophobicContact CG1-CD1 4.23Å; V647-I711 HydrophobicContact CG2-CD1 4Å; P649-I711 HydrophobicContact CB-CD1 4.17Å; I699-I711 HydrophobicContact CB-CB 4.31Å; I699-I711 HydrophobicContact CG2-CB 4.04Å; I699-I711 HydrophobicContact CG2-CD1 4.04Å; I699-I711 HydrophobicContact CG2-CG2 4.14Å; I699-I711 WeakPolarHBondContact O-CB 3.45Å; I699-I711 PolarHBondContact O-N 3.32Å; D701-I711 HydrophobicContact CB-CD1 3.94Å; D701-I711 HydrophobicContact CB-CG1 4.11Å; E709-I711 PolarHBondContact O-N 3.27Å
712	G	95.9	Very high	93.1	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.4	160.7	-175.6	0	0	0	0	0	112.9	I699 F710 L731	I699-G712 WeakPolarHBondContact CD1-O 3.38Å; I699-G712 PolarHBondContact N-O 3.34Å; I699-G712 PolarHBondContact O-N 3.16Å; F710-G712 VanDerWaalsContact CZ-CA 3.49Å; G712-L731 CarbonylContact C-O 3.47Å; G712-L731 WeakPolarHBondContact CA-O 3.17Å
713	Q	97.9	Very high	93.4	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	160.8	176.8	69.9	87.9	10.9	0	0	112.8	D582 F697 L698 F710 T715 L731	D582-Q713 HydrophobicContact CB-CG 4.24Å; D582-Q713 VanDerWaalsContact CB-NE2 3.27Å; D582-Q713 PolarHBondContact OD1-NE2 2.92Å; D582-Q713 WeakPolarHBondContact OD2-CG 2.94Å; F697-Q713 CarbonylContact O-C 3.48Å; F697-Q713 WeakPolarHBondContact O-CA 3.21Å; F697-Q713 WeakPolarHBondContact O-CB 3.29Å; L698-Q713 HydrophobicContact CD1-CB 4.18Å; F710-Q713 HydrophobicContact CE2-CB 3.81Å; F710-Q713 HydrophobicContact CE2-CG 3.77Å; F710-Q713 HydrophobicContact CZ-CB 4.04Å; F710-Q713 HydrophobicContact CZ-CG 3.77Å; Q713-T715 PolarHBondContact OE1-OG1 2.9Å; Q713-L731 PolarHBondContact N-O 3.28Å; Q713-L731 WeakPolarHBondContact O-CA 3.17Å; Q713-L731 VanDerWaalsContact O-CB 3.29Å; Q713-L731 WeakPolarHBondContact O-CB 3.19Å; Q713-L731 PolarHBondContact O-N 2.83Å
714	Y	98.6	Very high	93.9	Very high	18 Å²	18	41 Å²	41	7%	0.071	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	126.6	165.4	-167.5	-108.1	0	0	0	110.9	V283 L589 R696 F697 L716 V728 P729 L731	V283-Y714 HydrophobicContact CG1-CD1 4.22Å; V283-Y714 HydrophobicContact CG1-CE1 3.84Å; L589-Y714 HydrophobicContact CD2-CE2 4.45Å; L589-Y714 WeakPolarHBondContact CD2-OH 3.12Å; R696-Y714 CarbonylContact C-O 3.44Å; R696-Y714 WeakPolarHBondContact CA-O 3.35Å; F697-Y714 PolarHBondContact N-O 2.91Å; F697-Y714 PolarHBondContact O-N 3.4Å; Y714-L716 HydrophobicContact CD1-CD2 3.87Å; Y714-L716 HydrophobicContact CE1-CB 4.25Å; Y714-L716 HydrophobicContact CE1-CD1 4.09Å; Y714-L716 HydrophobicContact CE1-CD2 3.91Å; Y714-L716 HydrophobicContact CE1-CG 4.32Å; Y714-V728 HydrophobicContact CD1-CG1 3.56Å; Y714-V728 HydrophobicContact CE1-CG1 4.48Å; Y714-V728 HydrophobicContact CG-CG1 3.8Å; Y714-P729 WeakPolarHBondContact CB-O 3.27Å; Y714-P729 HydrophobicContact CD2-CG 4Å; Y714-P729 WeakPolarHBondContact CD2-O 3.24Å; Y714-P729 HydrophobicContact CE1-CG 4.36Å; Y714-P729 HydrophobicContact CE2-CG 3.66Å; Y714-P729 HydrophobicContact CG-CG 4.5Å; Y714-P729 VanDerWaalsContact CG-O 3.22Å; Y714-L731 HydrophobicContact CD2-CD1 4.31Å; Y714-L731 HydrophobicContact CD2-CG 4.13Å
715	T	98.7	Very high	94.7	Very high	4 Å²	4	37.9 Å²	37.9	3%	0.025	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	136.1	179.5	-52.2	0	0	0	0	110.1	G586 L694 V695 R696 Q713	G586-T715 WeakPolarHBondContact CA-O 3.47Å; L694-T715 HydrophobicContact CB-CG2 4.31Å; V695-T715 WeakPolarHBondContact O-CA 3.47Å; R696-T715 HydrophobicContact CB-CG2 4.08Å; R696-T715 WeakPolarHBondContact CB-OG1 3.4Å; R696-T715 WeakPolarHBondContact CD-OG1 3.42Å; R696-T715 VanDerWaalsContact CG-OG1 3.27Å; R696-T715 WeakPolarHBondContact CG-OG1 3.01Å; Q713-T715 PolarHBondContact OE1-OG1 2.9Å
716	L	98.5	Very high	95.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	158.8	176.5	69.3	170	0	0	0	112.3	V283 F284 L589 L694 V695 F697 Y714 L721	V283-L716 HydrophobicContact CG1-CD1 4.28Å; F284-L716 HydrophobicContact CB-CD1 4.17Å; F284-L716 HydrophobicContact CD2-CB 4.36Å; F284-L716 HydrophobicContact CD2-CD1 3.97Å; L589-L716 HydrophobicContact CD2-CB 4.18Å; L694-L716 WeakPolarHBondContact CA-O 3.4Å; V695-L716 PolarHBondContact N-O 3.29Å; V695-L716 PolarHBondContact O-N 2.99Å; F697-L716 HydrophobicContact CD2-CD2 4.41Å; F697-L716 HydrophobicContact CE2-CD2 4.08Å; Y714-L716 HydrophobicContact CD1-CD2 3.87Å; Y714-L716 HydrophobicContact CE1-CB 4.25Å; Y714-L716 HydrophobicContact CE1-CD1 4.09Å; Y714-L716 HydrophobicContact CE1-CD2 3.91Å; Y714-L716 HydrophobicContact CE1-CG 4.32Å; L716-L721 HydrophobicContact CD1-CD2 3.87Å; L716-L721 HydrophobicContact CD1-CG 4.39Å; L716-L721 HydrophobicContact CD2-CD2 3.98Å; L716-L721 HydrophobicContact CG-CD2 4.07Å; L716-L721 HydrophobicContact CG-CG 4.49Å
717	P	98.6	Very high	96.1	Very high	18 Å²	18	29.3 Å²	29.3	12%	0.117	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	143	174.1	-21.1	35.6	0	0	0	112	G586 V590 L694 N719 S720	G586-P717 WeakPolarHBondContact O-CD 3.4Å; V590-P717 HydrophobicContact CG1-CG 3.79Å; V590-P717 HydrophobicContact CG2-CG 4.48Å; L694-P717 HydrophobicContact CD2-CB 4.07Å; L694-P717 HydrophobicContact CD2-CG 4Å; P717-N719 VanDerWaalsContact C-N 3.33Å; P717-N719 PolarHBondContact O-N 2.94Å; P717-S720 WeakPolarHBondContact O-CA 3.48Å; P717-S720 WeakPolarHBondContact O-CB 3.26Å; P717-S720 PolarHBondContact O-N 3.1Å
718	F	98.6	Very high	96.6	Very high	9 Å²	9	22.2 Å²	22.2	4%	0.039	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-55.3	-47.1	-178.1	-179.4	-82.5	0	0	0	112.2	K624 L626 V687 P690 A693 V695 S720 L721 V749	K624-F718 HydrophobicContact CB-CE1 4.35Å; K624-F718 HydrophobicContact CB-CZ 3.91Å; K624-F718 HydrophobicContact CG-CE1 4.09Å; K624-F718 HydrophobicContact CG-CZ 4.17Å; L626-F718 HydrophobicContact CB-CE2 3.85Å; L626-F718 HydrophobicContact CB-CZ 4.38Å; L626-F718 HydrophobicContact CD1-CE2 4.49Å; L626-F718 HydrophobicContact CD2-CD2 4.33Å; L626-F718 HydrophobicContact CD2-CE2 3.94Å; L626-F718 HydrophobicContact CG-CE2 4.3Å; V687-F718 HydrophobicContact CB-CD2 4.49Å; V687-F718 HydrophobicContact CB-CE2 4Å; V687-F718 HydrophobicContact CB-CZ 4.32Å; V687-F718 HydrophobicContact CG1-CD2 4.15Å; V687-F718 HydrophobicContact CG1-CE2 4.11Å; V687-F718 HydrophobicContact CG1-CZ 4.46Å; V687-F718 HydrophobicContact CG2-CD2 4.09Å; V687-F718 HydrophobicContact CG2-CE2 3.63Å; V687-F718 HydrophobicContact CG2-CZ 4.37Å; P690-F718 HydrophobicContact CB-CD1 3.64Å; P690-F718 HydrophobicContact CB-CE1 3.88Å; P690-F718 HydrophobicContact CB-CG 4.43Å; P690-F718 HydrophobicContact CG-CD1 4.48Å; P690-F718 HydrophobicContact CG-CE1 4.28Å; A693-F718 HydrophobicContact CB-CB 3.79Å; A693-F718 HydrophobicContact CB-CG 4.34Å; A693-F718 PolarHBondContact O-N 2.81Å; V695-F718 HydrophobicContact CG2-CB 4.43Å; V695-F718 HydrophobicContact CG2-CD2 3.95Å; F718-S720 PolarHBondContact O-N 2.85Å; F718-L721 HydrophobicContact CD2-CD1 4.24Å; F718-L721 VanDerWaalsContact O-CB 3.31Å; F718-L721 WeakPolarHBondContact O-CB 3.36Å; F718-L721 WeakPolarHBondContact O-CG 3.34Å; F718-L721 PolarHBondContact O-N 2.87Å; F718-V749 HydrophobicContact CE1-CG1 3.96Å; F718-V749 HydrophobicContact CE1-CG2 4.42Å; F718-V749 HydrophobicContact CZ-CG1 3.72Å; F718-V749 HydrophobicContact CZ-CG2 3.99Å
719	N	97.1	Very high	96.8	Very high	77 Å²	77	21.1 Å²	21.1	41%	0.412	10%	0.103	S	C	.	.	G	3₁₀ helix	trans	-68	-6.8	179.1	-71.4	-13.2	0	0	0	114	H288 P690 P717	H288-N719 PolarHBondContact CE1-O 3.17Å; H288-N719 VanDerWaalsContact CE1-O 3.24Å; P690-N719 WeakPolarHBondContact CB-OD1 3.37Å; P717-N719 VanDerWaalsContact C-N 3.33Å; P717-N719 PolarHBondContact O-N 2.94Å
720	S	97.7	Very high	96.9	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.007	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-98	3.5	173.7	-58	0	0	0	0	113.1	N285 H288 V590 P717 F718	N285-S720 WeakPolarHBondContact CB-O 3.27Å; N285-S720 PolarHBondContact N-O 3.31Å; H288-S720 PolarHBondContact ND1-OG 2.99Å; V590-S720 VanDerWaalsContact CG1-OG 3.29Å; V590-S720 WeakPolarHBondContact CG1-OG 3.16Å; P717-S720 WeakPolarHBondContact O-CA 3.48Å; P717-S720 WeakPolarHBondContact O-CB 3.26Å; P717-S720 PolarHBondContact O-N 3.1Å; F718-S720 PolarHBondContact O-N 2.85Å
721	L	97	Very high	96.8	Very high	19 Å²	19	16.4 Å²	16.4	10%	0.099	8%	0.082	C	C	.	.	B	Isolated β-bridge	trans	-74.1	130.3	173.9	-72.8	166.8	0	0	0	111	V283 L626 V695 L716 F718	V283-L721 HydrophobicContact CG2-CD2 3.74Å; L626-L721 HydrophobicContact CD1-CD1 4.29Å; L626-L721 HydrophobicContact CD2-CD1 4.46Å; V695-L721 HydrophobicContact CB-CD1 4.22Å; V695-L721 HydrophobicContact CG2-CD1 3.67Å; L716-L721 HydrophobicContact CD1-CD2 3.87Å; L716-L721 HydrophobicContact CD1-CG 4.39Å; L716-L721 HydrophobicContact CD2-CD2 3.98Å; L716-L721 HydrophobicContact CG-CD2 4.07Å; L716-L721 HydrophobicContact CG-CG 4.49Å; F718-L721 HydrophobicContact CD2-CD1 4.24Å; F718-L721 VanDerWaalsContact O-CB 3.31Å; F718-L721 WeakPolarHBondContact O-CB 3.36Å; F718-L721 WeakPolarHBondContact O-CG 3.34Å; F718-L721 PolarHBondContact O-N 2.87Å
722	K	96.9	Very high	96.5	Very high	34 Å²	34	18 Å²	18	15%	0.148	9%	0.09	C	C	.	.	P	Polyproline II helix	trans	-87.3	143.8	163.4	-62.7	-167.9	69.8	174	0	110.3	E241 E280 V283 N285	E241-K722 WeakPolarHBondContact OE1-CE 3.32Å; E241-K722 IonicContact OE1-NZ 3.8Å; E241-K722 PolarHBondContact OE1-NZ 2.88Å; E241-K722 IonicContact OE2-NZ 2.76Å; E280-K722 PolarHBondContact O-NZ 3.46Å; V283-K722 PolarHBondContact O-N 3.24Å; N285-K722 HydrophobicContact CB-CG 4Å
723	M	97.5	Very high	96.2	Very high	67 Å²	67	24.2 Å²	24.2	33%	0.33	11%	0.114	S	C	.	.	P	Polyproline II helix	trans	-86.1	161.9	177.9	-63.4	177.6	-132.4	0	0	111.8	Q239 R240 R726 V747 M748 V749	Q239-M723 VanDerWaalsContact O-O 3.09Å; Q239-M723 PolarHBondContact OE1-O 3.31Å; R240-M723 HydrophobicContact CB-CB 4.07Å; R240-M723 HydrophobicContact CB-SD 4.36Å; R240-M723 HydrophobicContact CG-CB 4.03Å; R240-M723 HydrophobicContact CG-SD 4.29Å; M723-R726 PolarHBondContact O-NE 2.87Å; M723-R726 PolarHBondContact O-NH2 2.9Å; M723-V747 CarbonylContact C-O 3.6Å; M723-V747 VanDerWaalsContact CA-O 3.24Å; M723-V747 WeakPolarHBondContact CA-O 3.28Å; M723-M748 HydrophobicContact CB-CE 3.88Å; M723-M748 HydrophobicContact CG-CE 3.75Å; M723-M748 HydrophobicContact SD-CE 3.07Å; M723-M748 WeakPolarHBondContact SD-CE 3.48Å; M723-V749 HydrophobicContact CE-CB 4.33Å; M723-V749 HydrophobicContact SD-CB 4.38Å
724	G	97.9	Very high	95.5	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	91.1	-161.1	-179.3	0	0	0	0	0	114.8	E238 R726 H746 V747	E238-G724 WeakPolarHBondContact O-CA 3.4Å; G724-R726 PolarHBondContact O-N 3.4Å; G724-H746 CarbonylContact O-C 3.6Å; G724-H746 VanDerWaalsContact O-CA 3.32Å; G724-H746 WeakPolarHBondContact O-CA 3.14Å; G724-V747 PolarHBondContact N-O 3.06Å; G724-V747 PolarHBondContact O-N 3.47Å
725	Y	97.9	Very high	94.9	Very high	43 Å²	43	26.6 Å²	26.6	17%	0.169	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	110.6	179.4	-65.1	-77.9	0	0	0	111.1	I215 F234 E238 Q239 I631 F744 V745 H746	I215-Y725 HydrophobicContact CD1-CD1 3.6Å; I215-Y725 HydrophobicContact CD1-CD2 4.39Å; I215-Y725 HydrophobicContact CD1-CE1 3.51Å; I215-Y725 HydrophobicContact CD1-CE2 4.33Å; I215-Y725 HydrophobicContact CD1-CG 4.06Å; I215-Y725 HydrophobicContact CG1-CE1 4.07Å; I215-Y725 HydrophobicContact CG1-CE2 4.34Å; I215-Y725 HydrophobicContact CG2-CD2 4.39Å; I215-Y725 HydrophobicContact CG2-CE2 4.31Å; F234-Y725 AromaticContact CE2-CD2 3.91Å; F234-Y725 HydrophobicContact CE2-CD2 3.91Å; F234-Y725 HydrophobicContact CE2-CE2 4.43Å; F234-Y725 HydrophobicContact CZ-CD2 4.27Å; E238-Y725 HydrophobicContact CB-CD2 3.89Å; E238-Y725 HydrophobicContact CB-CE2 3.86Å; E238-Y725 HydrophobicContact CG-CD2 4.4Å; E238-Y725 HydrophobicContact CG-CE2 3.96Å; Q239-Y725 PolarHBondContact NE2-O 2.83Å; Q239-Y725 VanDerWaalsContact OE1-N 3.16Å; Q239-Y725 PolarHBondContact OE1-O 3.4Å; I631-Y725 HydrophobicContact CD1-CD1 3.69Å; I631-Y725 HydrophobicContact CD1-CE1 3.76Å; Y725-F744 HydrophobicContact CD1-CE1 4.13Å; Y725-F744 AromaticContact CD1-CZ 3.92Å; Y725-F744 HydrophobicContact CD1-CZ 3.92Å; Y725-F744 HydrophobicContact CG-CZ 4.16Å; Y725-V745 CarbonylContact C-O 3.59Å; Y725-V745 WeakPolarHBondContact CA-O 3.26Å; Y725-H746 HydrophobicContact CD1-CB 3.85Å; Y725-H746 AromaticContact CD1-CD2 3.94Å; Y725-H746 AromaticContact CD2-CD2 3.9Å; Y725-H746 HydrophobicContact CE1-CB 3.86Å; Y725-H746 AromaticContact CE1-CD2 3.83Å; Y725-H746 AromaticContact CE2-CD2 3.77Å; Y725-H746 AromaticContact CG-CD2 3.97Å; Y725-H746 AromaticContact CZ-CD2 3.74Å
726	R	97.2	Very high	94.1	Very high	1 Å²	1	28.2 Å²	28.2	0%	0.004	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	143.4	-171.9	-58.3	-61.2	175.2	176.2	-2.8	111.2	Q239 E241 A281 V283 M723 G724 V745	Q239-R726 PolarHBondContact O-NH2 2.95Å; Q239-R726 VanDerWaalsContact OE1-NE 3.12Å; E241-R726 IonicContact OE1-CZ 3.44Å; E241-R726 IonicContact OE1-NH1 3.47Å; E241-R726 PolarHBondContact OE1-NH1 3.4Å; E241-R726 IonicContact OE1-NH2 3.27Å; E241-R726 PolarHBondContact OE1-NH2 3.18Å; A281-R726 WeakPolarHBondContact O-CD 3.5Å; A281-R726 PolarHBondContact O-NH1 3.41Å; A281-R726 VanDerWaalsContact O-NH1 3.09Å; V283-R726 HydrophobicContact CB-CB 3.87Å; V283-R726 HydrophobicContact CB-CG 4.47Å; V283-R726 HydrophobicContact CG2-CB 4.19Å; M723-R726 PolarHBondContact O-NE 2.87Å; M723-R726 PolarHBondContact O-NH2 2.9Å; G724-R726 PolarHBondContact O-N 3.4Å; R726-V745 HydrophobicContact CB-CG2 4.34Å; R726-V745 PolarHBondContact N-O 3.29Å; R726-V745 WeakPolarHBondContact O-CG2 3.19Å; R726-V745 PolarHBondContact O-N 3.34Å
727	H	95.9	Very high	93.4	Very high	6 Å²	6	33.6 Å²	33.6	3%	0.028	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	132.2	160.8	-71.8	100.3	0	0	0	110.1	R209 L276 H277 V283 L743 F744	R209-H727 PolarHBondContact NH1-NE2 2.76Å; L276-H727 PolarHBondContact O-ND1 3.17Å; H277-H727 AromaticContact CE1-CD2 3.68Å; H277-H727 AromaticContact CE1-CE1 3.35Å; H277-H727 PolarHBondContact CE1-CE1 3.25Å; H277-H727 AromaticContact CE1-CG 3.96Å; H277-H727 AromaticContact CE1-ND1 3.77Å; H277-H727 AromaticContact CE1-NE2 3.29Å; H277-H727 PolarHBondContact CE1-NE2 3.37Å; H277-H727 VanDerWaalsContact CE1-NE2 3.29Å; H277-H727 AromaticContact ND1-CE1 3.74Å; H277-H727 AromaticContact ND1-CG 3.99Å; H277-H727 AromaticContact ND1-ND1 3.73Å; H277-H727 AromaticContact NE2-CE1 3.61Å; H277-H727 AromaticContact NE2-NE2 3.73Å; V283-H727 PolarHBondContact N-O 3.2Å; H727-L743 CarbonylContact C-O 3.53Å; H727-L743 VanDerWaalsContact CA-O 3.32Å; H727-L743 WeakPolarHBondContact CA-O 2.99Å; H727-F744 AromaticContact CD2-CD2 3.8Å; H727-F744 AromaticContact CE1-CD2 3.68Å; H727-F744 AromaticContact ND1-CD2 3.98Å; H727-F744 AromaticContact NE2-CD2 3.55Å
728	V	97.5	Very high	92.5	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	114.7	169	-172.5	0	0	0	0	107.5	V283 F697 Y714 G742 L743 V745	V283-V728 HydrophobicContact CB-CG2 4.09Å; V283-V728 HydrophobicContact CG1-CB 4.22Å; V283-V728 HydrophobicContact CG1-CG1 4.14Å; V283-V728 HydrophobicContact CG1-CG2 4Å; V283-V728 HydrophobicContact CG2-CG2 4.27Å; F697-V728 HydrophobicContact CB-CG1 4.29Å; F697-V728 HydrophobicContact CD1-CG2 4.38Å; F697-V728 HydrophobicContact CD2-CG1 3.86Å; F697-V728 HydrophobicContact CD2-CG2 4.36Å; F697-V728 HydrophobicContact CE1-CG2 4.29Å; F697-V728 HydrophobicContact CE2-CG1 4.42Å; F697-V728 HydrophobicContact CE2-CG2 4.28Å; F697-V728 HydrophobicContact CG-CG1 4.07Å; F697-V728 HydrophobicContact CG-CG2 4.42Å; F697-V728 HydrophobicContact CZ-CG2 4.24Å; Y714-V728 HydrophobicContact CD1-CG1 3.56Å; Y714-V728 HydrophobicContact CE1-CG1 4.48Å; Y714-V728 HydrophobicContact CG-CG1 3.8Å; V728-G742 WeakPolarHBondContact O-CA 3.46Å; V728-L743 HydrophobicContact CB-CB 4.1Å; V728-L743 HydrophobicContact CG2-CB 4.45Å; V728-L743 PolarHBondContact N-O 3Å; V728-L743 PolarHBondContact O-N 3.02Å; V728-V745 HydrophobicContact CG2-CG1 4.17Å; V728-V745 HydrophobicContact CG2-CG2 3.67Å
729	P	93.6	Very high	91	Very high	20 Å²	20	36.3 Å²	36.3	13%	0.13	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	143.7	174.9	30.4	-33.4	0	0	0	109.9	M282 Y714	M282-P729 HydrophobicContact SD-CG 4.36Å; Y714-P729 WeakPolarHBondContact CB-O 3.27Å; Y714-P729 HydrophobicContact CD2-CG 4Å; Y714-P729 WeakPolarHBondContact CD2-O 3.24Å; Y714-P729 HydrophobicContact CE1-CG 4.36Å; Y714-P729 HydrophobicContact CE2-CG 3.66Å; Y714-P729 HydrophobicContact CG-CG 4.5Å; Y714-P729 VanDerWaalsContact CG-O 3.22Å
730	L	94.2	Very high	89.9	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	145	-179.6	-57.8	-175	0	0	0	112.4	L636 I699 L738 A741	L636-L730 HydrophobicContact CD2-CD1 3.52Å; I699-L730 HydrophobicContact CD1-CD1 3.81Å; I699-L730 HydrophobicContact CD1-CD2 3.36Å; I699-L730 HydrophobicContact CD1-CG 4.23Å; I699-L730 HydrophobicContact CG1-CD1 4.38Å; L730-L738 HydrophobicContact CB-CB 4.41Å; L730-L738 HydrophobicContact CB-CD1 3.95Å; L730-L738 WeakPolarHBondContact O-CB 3.44Å; L730-L738 PolarHBondContact O-N 2.79Å; L730-A741 HydrophobicContact CB-CB 4.42Å; L730-A741 HydrophobicContact CD1-CB 4.18Å; L730-A741 PolarHBondContact N-O 3.37Å
731	L	92.3	Very high	89.2	Confident	19 Å²	19	34.6 Å²	34.6	10%	0.099	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	144.5	172.2	-51.2	-179.8	0	0	0	109.8	G712 Q713 Y714 D736 K737	G712-L731 CarbonylContact C-O 3.47Å; G712-L731 WeakPolarHBondContact CA-O 3.17Å; Q713-L731 PolarHBondContact N-O 3.28Å; Q713-L731 WeakPolarHBondContact O-CA 3.17Å; Q713-L731 VanDerWaalsContact O-CB 3.29Å; Q713-L731 WeakPolarHBondContact O-CB 3.19Å; Q713-L731 PolarHBondContact O-N 2.83Å; Y714-L731 HydrophobicContact CD2-CD1 4.31Å; Y714-L731 HydrophobicContact CD2-CG 4.13Å; L731-D736 CarbonylContact C-O 3.49Å; L731-D736 VanDerWaalsContact CA-O 3.29Å; L731-D736 WeakPolarHBondContact CA-O 3.4Å; L731-K737 HydrophobicContact CD2-CB 4.19Å
732	N	88	Confident	89	Confident	40 Å²	40	34.1 Å²	34.1	21%	0.214	17%	0.173	C	C	.	.			trans	-77.4	179.2	171.9	74.2	21.4	0	0	0	111.2	N734 G735 D736 L738	N732-N734 PolarHBondContact O-N 3.16Å; N732-N734 WeakPolarHBondContact OD1-CA 3.44Å; N732-N734 WeakPolarHBondContact OD1-CB 3.42Å; N732-N734 PolarHBondContact OD1-N 3.4Å; N732-G735 PolarHBondContact O-N 3.24Å; N732-G735 PolarHBondContact OD1-N 2.69Å; N732-D736 PolarHBondContact N-O 3.35Å; N732-D736 PolarHBondContact OD1-N 3.25Å; N732-D736 VanDerWaalsContact OD1-N 3.12Å; N732-L738 HydrophobicContact CB-CD2 3.98Å; N732-L738 HydrophobicContact CB-CG 4.23Å
733	R	88.3	Confident	89	Confident	132 Å²	132	32.6 Å²	32.6	50%	0.498	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-21.8	-177.6	-146.2	-174.5	-73.6	-158.1	-3.6	114.6	A577 F710	A577-R733 HydrophobicContact CB-CG 4.02Å; A577-R733 WeakPolarHBondContact CB-O 3.48Å; F710-R733 HydrophobicContact CD1-CB 4.07Å; F710-R733 HydrophobicContact CD1-CG 4.16Å; F710-R733 HydrophobicContact CE1-CB 3.96Å; F710-R733 HydrophobicContact CE1-CG 4.33Å; F710-R733 VanDerWaalsContact CE1-N 3.29Å; F710-R733 HydrophobicContact CG-CG 4.47Å
734	N	83.4	Confident	89	Confident	61 Å²	61	29.4 Å²	29.4	33%	0.326	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-2.5	178	-56.9	-53.5	0	0	0	113	K332 N732	K332-N734 PolarHBondContact NZ-O 3.16Å; N732-N734 PolarHBondContact O-N 3.16Å; N732-N734 WeakPolarHBondContact OD1-CA 3.44Å; N732-N734 WeakPolarHBondContact OD1-CB 3.42Å; N732-N734 PolarHBondContact OD1-N 3.4Å
735	G	86.4	Confident	89	Confident	7 Å²	7	29.4 Å²	29.4	7%	0.072	15%	0.15	C	C	.	.	S	Bend	trans	85	13.2	-175.2	0	0	0	0	0	114.6	Q585 N732	Q585-G735 PolarHBondContact NE2-O 2.62Å; N732-G735 PolarHBondContact O-N 3.24Å; N732-G735 PolarHBondContact OD1-N 2.69Å
736	D	82.3	Confident	89.1	Confident	39 Å²	39	29 Å²	29	21%	0.209	15%	0.15	C	C	.	.			trans	-90.9	142.4	177.8	-52.9	-55.4	0	0	0	110.9	K100 L731 N732	K100-D736 HydrophobicContact CD-CB 4.5Å; L731-D736 CarbonylContact C-O 3.49Å; L731-D736 VanDerWaalsContact CA-O 3.29Å; L731-D736 WeakPolarHBondContact CA-O 3.4Å; N732-D736 PolarHBondContact N-O 3.35Å; N732-D736 PolarHBondContact OD1-N 3.25Å; N732-D736 VanDerWaalsContact OD1-N 3.12Å
737	K	83	Confident	89.1	Confident	112 Å²	112	29 Å²	29	49%	0.487	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	136.4	178.6	-170.8	-178.8	179.4	-173.9	0	111.8	L731 P739	L731-K737 HydrophobicContact CD2-CB 4.19Å; K737-P739 WeakPolarHBondContact O-CD 3.34Å
738	L	80.3	Confident	89.2	Confident	31 Å²	31	29.7 Å²	29.7	16%	0.162	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	104.1	165.5	-66.7	171.2	0	0	0	108	P637 L730 N732 S740 A741	P637-L738 HydrophobicContact CG-CD1 3.97Å; P637-L738 HydrophobicContact CG-CD2 4.39Å; L730-L738 HydrophobicContact CB-CB 4.41Å; L730-L738 HydrophobicContact CB-CD1 3.95Å; L730-L738 WeakPolarHBondContact O-CB 3.44Å; L730-L738 PolarHBondContact O-N 2.79Å; N732-L738 HydrophobicContact CB-CD2 3.98Å; N732-L738 HydrophobicContact CB-CG 4.23Å; L738-S740 VanDerWaalsContact C-N 3.33Å; L738-S740 PolarHBondContact O-N 2.89Å; L738-A741 HydrophobicContact CB-CB 3.75Å; L738-A741 HydrophobicContact CD1-CB 4.2Å; L738-A741 PolarHBondContact O-N 2.79Å
739	P	67.6	Low	89.2	Confident	54 Å²	54	30.9 Å²	30.9	35%	0.351	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	-35.1	-164.9	-27.4	36.7	0	0	0	115.3	K737	K737-P739 WeakPolarHBondContact O-CD 3.34Å
740	S	72.6	Confident	89.3	Confident	33 Å²	33	33.8 Å²	33.8	23%	0.231	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	-3.3	-175.9	-40.9	0	0	0	0	113.7	Q635 L738	Q635-S740 WeakPolarHBondContact CB-O 3.49Å; L738-S740 VanDerWaalsContact C-N 3.33Å; L738-S740 PolarHBondContact O-N 2.89Å
741	A	84.5	Confident	89.3	Confident	9 Å²	9	39.6 Å²	39.6	7%	0.074	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	132.3	-177.5	0	0	0	0	0	111.4	Q634 Q635 L730 L738	Q634-A741 VanDerWaalsContact O-CA 3.23Å; Q634-A741 WeakPolarHBondContact O-CA 3.17Å; Q635-A741 WeakPolarHBondContact O-CB 3.35Å; L730-A741 HydrophobicContact CB-CB 4.42Å; L730-A741 HydrophobicContact CD1-CB 4.18Å; L730-A741 PolarHBondContact N-O 3.37Å; L738-A741 HydrophobicContact CB-CB 3.75Å; L738-A741 HydrophobicContact CD1-CB 4.2Å; L738-A741 PolarHBondContact O-N 2.79Å
742	G	91.9	Very high	88.8	Confident	9 Å²	9	39.9 Å²	39.9	9%	0.093	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	160.4	-176.7	0	0	0	0	0	112.4	G633 Q634 V728	G633-G742 CarbonylContact C-O 3.52Å; G633-G742 WeakPolarHBondContact CA-O 3.15Å; Q634-G742 PolarHBondContact N-O 3.5Å; Q634-G742 PolarHBondContact O-N 3.4Å; Q634-G742 VanDerWaalsContact O-N 3.15Å; Q634-G742 PolarHBondContact OE1-O 2.83Å; V728-G742 WeakPolarHBondContact O-CA 3.46Å
743	L	96.8	Very high	87.4	Confident	1 Å²	1	51 Å²	51	1%	0.005	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	135.9	166.5	-171.7	75	0	0	0	108.5	V630 S632 V651 W679 F697 H727 V728 V745	V630-L743 HydrophobicContact CG1-CD1 3.98Å; V630-L743 HydrophobicContact CG1-CD2 4.28Å; V630-L743 HydrophobicContact CG1-CG 4.49Å; S632-L743 WeakPolarHBondContact O-CD1 3.26Å; V651-L743 HydrophobicContact CG1-CD1 4.47Å; V651-L743 HydrophobicContact CG1-CD2 3.82Å; V651-L743 HydrophobicContact CG2-CD1 3.81Å; W679-L743 HydrophobicContact CE3-CD1 4.37Å; W679-L743 HydrophobicContact CH2-CD1 4.34Å; W679-L743 HydrophobicContact CZ3-CD1 3.66Å; F697-L743 HydrophobicContact CD1-CD2 3.9Å; H727-L743 CarbonylContact C-O 3.53Å; H727-L743 VanDerWaalsContact CA-O 3.32Å; H727-L743 WeakPolarHBondContact CA-O 2.99Å; V728-L743 HydrophobicContact CB-CB 4.1Å; V728-L743 HydrophobicContact CG2-CB 4.45Å; V728-L743 PolarHBondContact N-O 3Å; V728-L743 PolarHBondContact O-N 3.02Å; L743-V745 HydrophobicContact CD2-CG1 3.4Å; L743-V745 HydrophobicContact CG-CG1 3.68Å
744	F	97.6	Very high	87.3	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	122.7	171.6	-172.1	-120.7	0	0	0	108.8	R209 E211 I212 I215 L276 I631 S632 Y725 H727	R209-F744 VanDerWaalsContact NH2-CD1 3.27Å; E211-F744 HydrophobicContact CG-CD1 4.18Å; E211-F744 HydrophobicContact CG-CE1 4.18Å; I212-F744 HydrophobicContact CD1-CE1 3.87Å; I212-F744 HydrophobicContact CD1-CE2 4.45Å; I212-F744 HydrophobicContact CD1-CZ 3.75Å; I215-F744 HydrophobicContact CD1-CE1 3.86Å; I215-F744 HydrophobicContact CD1-CZ 4Å; L276-F744 HydrophobicContact CD1-CE2 4.28Å; L276-F744 HydrophobicContact CD1-CZ 4.32Å; I631-F744 HydrophobicContact CB-CD1 3.98Å; I631-F744 WeakPolarHBondContact CB-O 3.36Å; I631-F744 HydrophobicContact CD1-CD1 3.85Å; I631-F744 HydrophobicContact CD1-CE1 3.82Å; I631-F744 HydrophobicContact CG2-CD1 3.91Å; I631-F744 HydrophobicContact CG2-CE1 4.41Å; I631-F744 PolarHBondContact N-O 3.05Å; S632-F744 PolarHBondContact N-O 2.95Å; S632-F744 PolarHBondContact O-N 3.05Å; Y725-F744 HydrophobicContact CD1-CE1 4.13Å; Y725-F744 AromaticContact CD1-CZ 3.92Å; Y725-F744 HydrophobicContact CD1-CZ 3.92Å; Y725-F744 HydrophobicContact CG-CZ 4.16Å; H727-F744 AromaticContact CD2-CD2 3.8Å; H727-F744 AromaticContact CE1-CD2 3.68Å; H727-F744 AromaticContact ND1-CD2 3.98Å; H727-F744 AromaticContact NE2-CD2 3.55Å
745	V	98.4	Very high	87.5	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	158.7	-174.9	-60	0	0	0	0	110.7	M629 F697 Y725 R726 V728 L743 V747	M629-V745 CarbonylContact O-C 3.49Å; M629-V745 WeakPolarHBondContact O-CA 3.33Å; M629-V745 WeakPolarHBondContact O-CB 3.19Å; F697-V745 HydrophobicContact CE1-CG1 4.21Å; Y725-V745 CarbonylContact C-O 3.59Å; Y725-V745 WeakPolarHBondContact CA-O 3.26Å; R726-V745 HydrophobicContact CB-CG2 4.34Å; R726-V745 PolarHBondContact N-O 3.29Å; R726-V745 WeakPolarHBondContact O-CG2 3.19Å; R726-V745 PolarHBondContact O-N 3.34Å; V728-V745 HydrophobicContact CG2-CG1 4.17Å; V728-V745 HydrophobicContact CG2-CG2 3.67Å; L743-V745 HydrophobicContact CD2-CG1 3.4Å; L743-V745 HydrophobicContact CG-CG1 3.68Å; V745-V747 HydrophobicContact CG2-CG2 3.78Å
746	H	98.3	Very high	87.6	Confident	35 Å²	35	48.4 Å²	48.4	16%	0.162	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	122.8	161.7	177.3	-85.7	0	0	0	109.7	V628 M629 I631 G724 Y725	V628-H746 CarbonylContact C-O 3.56Å; V628-H746 WeakPolarHBondContact CA-O 3.35Å; M629-H746 HydrophobicContact CB-CB 4.04Å; M629-H746 PolarHBondContact N-O 3.08Å; M629-H746 PolarHBondContact O-N 3.03Å; I631-H746 HydrophobicContact CD1-CB 4.11Å; G724-H746 CarbonylContact O-C 3.6Å; G724-H746 VanDerWaalsContact O-CA 3.32Å; G724-H746 WeakPolarHBondContact O-CA 3.14Å; Y725-H746 HydrophobicContact CD1-CB 3.85Å; Y725-H746 AromaticContact CD1-CD2 3.94Å; Y725-H746 AromaticContact CD2-CD2 3.9Å; Y725-H746 HydrophobicContact CE1-CB 3.86Å; Y725-H746 AromaticContact CE1-CD2 3.83Å; Y725-H746 AromaticContact CE2-CD2 3.77Å; Y725-H746 AromaticContact CG-CD2 3.97Å; Y725-H746 AromaticContact CZ-CD2 3.74Å
747	V	98.4	Very high	87.9	Confident	0 Å²	0	49 Å²	49	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	131.8	-176.7	177.3	0	0	0	0	110.1	V283 L626 H627 M723 G724 V745	V283-V747 HydrophobicContact CG2-CG2 4.32Å; L626-V747 HydrophobicContact CD1-CG1 3.88Å; H627-V747 WeakPolarHBondContact O-CA 3.32Å; M723-V747 CarbonylContact C-O 3.6Å; M723-V747 VanDerWaalsContact CA-O 3.24Å; M723-V747 WeakPolarHBondContact CA-O 3.28Å; G724-V747 PolarHBondContact N-O 3.06Å; G724-V747 PolarHBondContact O-N 3.47Å; V745-V747 HydrophobicContact CG2-CG2 3.78Å
748	M	97.9	Very high	88.2	Confident	22 Å²	22	45.1 Å²	45.1	11%	0.108	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	125.8	174.7	-177.9	82.7	-76.5	0	0	110	R240 H627 M723 L750	R240-M748 HydrophobicContact CG-CE 3.77Å; R240-M748 HydrophobicContact CG-SD 4.4Å; H627-M748 HydrophobicContact CB-CB 4.2Å; H627-M748 PolarHBondContact N-O 2.95Å; H627-M748 PolarHBondContact O-N 3.1Å; M723-M748 HydrophobicContact CB-CE 3.88Å; M723-M748 HydrophobicContact CG-CE 3.75Å; M723-M748 HydrophobicContact SD-CE 3.07Å; M723-M748 WeakPolarHBondContact SD-CE 3.48Å; M748-L750 HydrophobicContact CE-CD2 4.5Å; M748-L750 HydrophobicContact CG-CD2 3.96Å; M748-L750 HydrophobicContact CG-CG 4.08Å; M748-L750 HydrophobicContact SD-CD2 4.23Å
749	V	97.5	Very high	88.8	Confident	25 Å²	25	46 Å²	46	15%	0.152	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	125.2	175.1	-179.2	0	0	0	0	108.4	K624 L626 F718 M723	K624-V749 HydrophobicContact CB-CG1 3.94Å; K624-V749 HydrophobicContact CD-CG1 4.31Å; K624-V749 HydrophobicContact CG-CG1 4.07Å; L626-V749 HydrophobicContact CD1-CG2 3.82Å; F718-V749 HydrophobicContact CE1-CG1 3.96Å; F718-V749 HydrophobicContact CE1-CG2 4.42Å; F718-V749 HydrophobicContact CZ-CG1 3.72Å; F718-V749 HydrophobicContact CZ-CG2 3.99Å; M723-V749 HydrophobicContact CE-CB 4.33Å; M723-V749 HydrophobicContact SD-CB 4.38Å
750	L	96.1	Very high	90.3	Very high	80 Å²	80	45.4 Å²	45.4	42%	0.419	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	147	178.8	-58	176.7	0	0	0	109.6	K624 T625 M748 A752	K624-L750 CarbonylContact C-O 3.52Å; K624-L750 VanDerWaalsContact CA-O 3.28Å; K624-L750 WeakPolarHBondContact CA-O 3.4Å; T625-L750 PolarHBondContact N-O 3.06Å; T625-L750 PolarHBondContact O-N 3.43Å; M748-L750 HydrophobicContact CE-CD2 4.5Å; M748-L750 HydrophobicContact CG-CD2 3.96Å; M748-L750 HydrophobicContact CG-CG 4.08Å; M748-L750 HydrophobicContact SD-CD2 4.23Å; L750-A752 PolarHBondContact O-N 3.42Å
751	D	93.1	Very high	91.6	Very high	123 Å²	123	46.4 Å²	46.4	66%	0.658	24%	0.236	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-64.5	123.1	164.1	-68.4	-46.7	0	0	0	108.5	K624	K624-D751 WeakPolarHBondContact CD-OD1 3.3Å; K624-D751 IonicContact NZ-OD1 2.7Å; K624-D751 PolarHBondContact NZ-OD1 3.09Å
752	A	82.1	Confident	92.2	Very high	24 Å²	24	49.5 Å²	49.5	20%	0.198	25%	0.249	C	C	.	.			trans	-73.6	146	172.8	0	0	0	0	0	109.2	H623 L750	H623-A752 HydrophobicContact CB-CB 4.1Å; H623-A752 WeakPolarHBondContact CE1-CB 3.41Å; H623-A752 VanDerWaalsContact CG-CB 3.41Å; H623-A752 WeakPolarHBondContact ND1-CB 3.47Å; H623-A752 WeakPolarHBondContact NE2-CB 3.12Å; H623-A752 WeakPolarHBondContact O-CB 3.4Å; H623-A752 PolarHBondContact O-N 3.1Å; L750-A752 PolarHBondContact O-N 3.42Å
753	K	58.7	Low	92.3	Very high	275 Å²	275	53.2 Å²	53.2	100%	1.196	26%	0.263	S	S	*	.			trans	-84.8	0	-177.2	-76.2	-172.7	178.5	179.6	0	112.9

Retrieved 753 of 753 residues in 1262.5 ms (Link to these results)

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