A0A087YF11_POEFO Loading...

Oxysterol-binding protein

AlphaFold DB , UniProt , Accession A0A087YF11, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 737 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	30.9	Very low	36.4	Very low	200 Å²	200	86.5 Å²	86.5	99%	0.985	45%	0.454	S	S	*	.				0	146.1	0	-172.1	-175.8	-72	0	0	109.3	V3	M1-V3 HydrophobicContact CG-CG2 4.34Å; M1-V3 HydrophobicContact SD-CG2 4.43Å
2	L	32.6	Very low	36.4	Very low	85 Å²	85	88.1 Å²	88.1	45%	0.445	48%	0.478	S	S	.	.			trans	-101	97.3	-167.8	-142.6	170.3	0	0	0	112	W22 Q36	L2-W22 HydrophobicContact CD2-CE3 3.43Å; L2-W22 VanDerWaalsContact CD2-CE3 3.43Å; L2-W22 HydrophobicContact CD2-CZ3 3.55Å; L2-Q36 HydrophobicContact CD2-CG 4.27Å
3	V	38.5	Very low	36.4	Very low	34 Å²	34	89.1 Å²	89.1	21%	0.206	50%	0.495	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	144.9	-175.6	-178.4	0	0	0	0	111.7	M1 T89 W93	M1-V3 HydrophobicContact CG-CG2 4.34Å; M1-V3 HydrophobicContact SD-CG2 4.43Å; V3-T89 HydrophobicContact CG1-CG2 4.33Å; V3-W93 HydrophobicContact CB-CZ2 3.89Å
4	L	38.3	Very low	36.6	Very low	46 Å²	46	99.3 Å²	99.3	24%	0.241	52%	0.522	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	162	-175.1	-95.4	169	0	0	0	114.6	Y21 W22	L4-Y21 VanDerWaalsContact CD2-O 3.27Å; L4-Y21 WeakPolarHBondContact CD2-O 3.37Å; L4-W22 HydrophobicContact CD1-CH2 3.65Å; L4-W22 HydrophobicContact CD1-CZ2 3.59Å; L4-W22 HydrophobicContact CD1-CZ3 4.13Å; L4-W22 HydrophobicContact CD2-CD2 3.46Å; L4-W22 VanDerWaalsContact CD2-CD2 3.46Å; L4-W22 VanDerWaalsContact CD2-CE2 3.43Å; L4-W22 HydrophobicContact CD2-CE3 3.94Å; L4-W22 HydrophobicContact CD2-CG 3.73Å; L4-W22 HydrophobicContact CD2-CH2 4.35Å; L4-W22 HydrophobicContact CD2-CZ2 3.91Å; L4-W22 HydrophobicContact CD2-CZ3 4.35Å; L4-W22 HydrophobicContact CG-CD2 3.78Å; L4-W22 HydrophobicContact CG-CE3 3.72Å; L4-W22 HydrophobicContact CG-CH2 3.75Å; L4-W22 HydrophobicContact CG-CZ2 3.77Å; L4-W22 HydrophobicContact CG-CZ3 3.71Å
5	F	47.3	Very low	36.7	Very low	74 Å²	74	106.9 Å²	106.9	33%	0.325	55%	0.55	S	S	.	.	E	Extended strand (participates in β ladder)	trans	123.5	-167.6	147.7	-64.1	-67.2	0	0	0	116.5	S20 Y21 C81	F5-S20 WeakPolarHBondContact CD1-OG 3.48Å; F5-S20 WeakPolarHBondContact CE1-OG 3.49Å; F5-Y21 PolarHBondContact N-O 3.11Å; F5-Y21 PolarHBondContact O-N 3.22Å; F5-C81 HydrophobicContact CD2-CB 4.11Å; F5-C81 HydrophobicContact CE2-CB 4.25Å
6	S	38.6	Very low	36.8	Very low	5 Å²	5	114.5 Å²	114.5	4%	0.035	58%	0.578	C	S	.	*	E	Extended strand (participates in β ladder)		-101.4	148	-127.5	170.8	0	0	0	0	115.9	W18 R19	S6-W18 WeakPolarHBondContact OG-CA 3.47Å; S6-W18 WeakPolarHBondContact OG-CB 3.47Å; S6-R19 VanDerWaalsContact CA-O 3.24Å; S6-R19 WeakPolarHBondContact CA-O 3.38Å; S6-R19 VanDerWaalsContact CB-O 3.24Å; S6-R19 WeakPolarHBondContact CB-O 3.49Å; S6-R19 VanDerWaalsContact OG-C 3.26Å; S6-R19 PolarHBondContact OG-N 2.92Å; S6-R19 PolarHBondContact OG-O 3.18Å
7	F	37.8	Very low	37.6	Very low	46 Å²	46	111.2 Å²	111.2	20%	0.202	58%	0.58	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-106.9	153.7	172.5	177.2	-107.9	0	0	0	113.2	N9 R19 Y21 H76	F7-N9 HydrophobicContact CE1-CB 4.2Å; F7-N9 HydrophobicContact CE2-CB 4.4Å; F7-N9 HydrophobicContact CZ-CB 3.65Å; F7-R19 PolarHBondContact N-O 2.97Å; F7-Y21 HydrophobicContact CB-CD2 4.06Å; F7-Y21 HydrophobicContact CB-CE2 4.13Å; F7-H76 HydrophobicContact CD2-CB 4.41Å; F7-H76 HydrophobicContact CE2-CB 3.97Å; F7-H76 AromaticContact CE2-CG 3.93Å; F7-H76 AromaticContact CE2-ND1 3.25Å; F7-H76 VanDerWaalsContact CE2-ND1 3.25Å; F7-H76 WeakPolarHBondContact CE2-ND1 3.43Å; F7-H76 AromaticContact CZ-ND1 3.8Å
8	S	34.8	Very low	38.5	Very low	57 Å²	57	112.7 Å²	112.7	40%	0.399	58%	0.577	S	S	.	*			trans	-160.9	142.5	156.8	60.5	0	0	0	0	112.4
9	N	34.4	Very low	39.6	Very low	100 Å²	100	116.2 Å²	116.2	54%	0.535	58%	0.582	S	S	.	*			trans	-143.5	147.9	165.9	-156.7	31.4	0	0	0	107.8	F7	F7-N9 HydrophobicContact CE1-CB 4.2Å; F7-N9 HydrophobicContact CE2-CB 4.4Å; F7-N9 HydrophobicContact CZ-CB 3.65Å
10	P	35.4	Very low	40.9	Very low	109 Å²	109	114 Å²	114	71%	0.708	58%	0.578	S	S	*	*			trans	-99.6	133.7	-161.2	35.3	-31	0	0	0	114.6
11	Q	31.5	Very low	42.4	Very low	195 Å²	195	110.6 Å²	110.6	91%	0.911	56%	0.559	S	S	*	*				-157.8	154.9	127.2	-112	-177.3	32.2	0	0	112.1
12	S	36.3	Very low	44.3	Very low	106 Å²	106	103.4 Å²	103.4	74%	0.741	52%	0.521	S	S	*	.	S	Bend	trans	52.5	109.1	169.3	-153.6	0	0	0	0	120.4
13	S	37.3	Very low	46.4	Very low	101 Å²	101	99.8 Å²	99.8	71%	0.706	50%	0.502	S	S	*	.	S	Bend	trans	73.8	111.7	149.5	76.4	0	0	0	0	120.7
14	R	39.3	Very low	48.4	Very low	232 Å²	232	99.8 Å²	99.8	88%	0.875	50%	0.502	S	S	*	.	S	Bend	trans	51.2	68.6	140.7	-57.2	-178.4	-179.6	178.9	0.9	118.4
15	F	37.4	Very low	50.3	Low	213 Å²	213	98.6 Å²	98.6	93%	0.934	50%	0.497	S	S	*	.				-176.5	111.5	128.2	-90.7	-60.4	0	0	0	109	G17	F15-G17 PolarHBondContact O-N 2.74Å
16	F	38.4	Very low	51.7	Low	229 Å²	229	99.5 Å²	99.5	100%	1.004	50%	0.504	S	S	*	.			trans	-78.4	115.1	175.1	-82.1	-85.1	0	0	0	110.3
17	G	50.4	Low	53.6	Low	59 Å²	59	104.3 Å²	104.3	61%	0.608	53%	0.529	S	S	*	.			trans	-173	144.2	176.2	0	0	0	0	0	113	F15	F15-G17 PolarHBondContact O-N 2.74Å
18	W	54.7	Low	55.5	Low	137 Å²	137	102.1 Å²	102.1	52%	0.519	52%	0.52	S	S	.	.			trans	-74	132.1	174.1	-66.5	85.5	0	0	0	109.8	S6 F65 K79	S6-W18 WeakPolarHBondContact OG-CA 3.47Å; S6-W18 WeakPolarHBondContact OG-CB 3.47Å; W18-F65 HydrophobicContact CH2-CD2 4.23Å; W18-F65 HydrophobicContact CH2-CE2 4.12Å; W18-K79 HydrophobicContact CE3-CB 4.27Å; W18-K79 HydrophobicContact CH2-CB 3.88Å; W18-K79 HydrophobicContact CH2-CD 4.1Å; W18-K79 HydrophobicContact CZ2-CD 4.08Å; W18-K79 HydrophobicContact CZ3-CB 3.67Å
19	R	58.2	Low	57.7	Low	180 Å²	180	101.6 Å²	101.6	68%	0.679	51%	0.514	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.1	112.4	175.6	-69.5	-172.1	178.2	-161.3	2	111.2	S6 F7 Y21	S6-R19 VanDerWaalsContact CA-O 3.24Å; S6-R19 WeakPolarHBondContact CA-O 3.38Å; S6-R19 VanDerWaalsContact CB-O 3.24Å; S6-R19 WeakPolarHBondContact CB-O 3.49Å; S6-R19 VanDerWaalsContact OG-C 3.26Å; S6-R19 PolarHBondContact OG-N 2.92Å; S6-R19 PolarHBondContact OG-O 3.18Å; F7-R19 PolarHBondContact N-O 2.97Å; R19-Y21 HydrophobicContact CB-CE2 3.99Å; R19-Y21 WeakPolarHBondContact O-CD2 3.39Å; R19-Y21 WeakPolarHBondContact O-CE2 3.34Å
20	S	65.4	Low	60.1	Low	72 Å²	72	97 Å²	97	50%	0.503	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	129.9	178.1	-46.9	0	0	0	0	112.7	F5	F5-S20 WeakPolarHBondContact CD1-OG 3.48Å; F5-S20 WeakPolarHBondContact CE1-OG 3.49Å
21	Y	72.1	Confident	62.3	Low	43 Å²	43	92.1 Å²	92.1	17%	0.169	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	158.4	167.2	-65.1	-81.2	0	0	0	110.5	L4 F5 F7 R19 W32	L4-Y21 VanDerWaalsContact CD2-O 3.27Å; L4-Y21 WeakPolarHBondContact CD2-O 3.37Å; F5-Y21 PolarHBondContact N-O 3.11Å; F5-Y21 PolarHBondContact O-N 3.22Å; F7-Y21 HydrophobicContact CB-CD2 4.06Å; F7-Y21 HydrophobicContact CB-CE2 4.13Å; R19-Y21 HydrophobicContact CB-CE2 3.99Å; R19-Y21 WeakPolarHBondContact O-CD2 3.39Å; R19-Y21 WeakPolarHBondContact O-CE2 3.34Å; Y21-W32 HydrophobicContact CG-CB 4.49Å
22	W	72.4	Confident	64.7	Low	49 Å²	49	84.4 Å²	84.4	19%	0.186	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	118.9	164.6	-67.6	85.3	0	0	0	107.8	L2 L4 W32 Y33 K35 Q36 A39	L2-W22 HydrophobicContact CD2-CE3 3.43Å; L2-W22 VanDerWaalsContact CD2-CE3 3.43Å; L2-W22 HydrophobicContact CD2-CZ3 3.55Å; L4-W22 HydrophobicContact CD1-CH2 3.65Å; L4-W22 HydrophobicContact CD1-CZ2 3.59Å; L4-W22 HydrophobicContact CD1-CZ3 4.13Å; L4-W22 HydrophobicContact CD2-CD2 3.46Å; L4-W22 VanDerWaalsContact CD2-CD2 3.46Å; L4-W22 VanDerWaalsContact CD2-CE2 3.43Å; L4-W22 HydrophobicContact CD2-CE3 3.94Å; L4-W22 HydrophobicContact CD2-CG 3.73Å; L4-W22 HydrophobicContact CD2-CH2 4.35Å; L4-W22 HydrophobicContact CD2-CZ2 3.91Å; L4-W22 HydrophobicContact CD2-CZ3 4.35Å; L4-W22 HydrophobicContact CG-CD2 3.78Å; L4-W22 HydrophobicContact CG-CE3 3.72Å; L4-W22 HydrophobicContact CG-CH2 3.75Å; L4-W22 HydrophobicContact CG-CZ2 3.77Å; L4-W22 HydrophobicContact CG-CZ3 3.71Å; W22-W32 CarbonylContact O-C 3.49Å; W22-W32 WeakPolarHBondContact O-CA 3.34Å; W22-Y33 PolarHBondContact N-O 2.8Å; W22-Y33 PolarHBondContact O-N 2.8Å; W22-K35 VanDerWaalsContact CD1-CA 3.44Å; W22-Q36 HydrophobicContact CD2-CB 3.81Å; W22-Q36 HydrophobicContact CD2-CG 4.15Å; W22-Q36 HydrophobicContact CE3-CB 4.03Å; W22-Q36 HydrophobicContact CE3-CG 3.82Å; W22-Q36 HydrophobicContact CH2-CB 3.81Å; W22-Q36 HydrophobicContact CH2-CG 3.69Å; W22-Q36 VanDerWaalsContact CH2-OE1 3.27Å; W22-Q36 HydrophobicContact CZ2-CB 3.59Å; W22-Q36 HydrophobicContact CZ2-CG 4.04Å; W22-Q36 HydrophobicContact CZ3-CB 4.03Å; W22-Q36 HydrophobicContact CZ3-CG 3.58Å; W22-A39 HydrophobicContact CB-CB 4.02Å
23	V	76.4	Confident	66.9	Low	8 Å²	8	79.5 Å²	79.5	5%	0.048	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	135.2	-178.5	-176.5	0	0	0	0	108.8	I30 S31 W32 F78 W93	V23-I30 HydrophobicContact CG1-CD1 3.83Å; V23-I30 HydrophobicContact CG1-CG1 3.72Å; V23-S31 WeakPolarHBondContact CA-O 3.42Å; V23-W32 HydrophobicContact CG2-CB 4.4Å; V23-F78 HydrophobicContact CG2-CE1 4.5Å; V23-W93 HydrophobicContact CB-CH2 4.01Å; V23-W93 HydrophobicContact CG1-CH2 3.84Å; V23-W93 HydrophobicContact CG1-CZ3 4.19Å
24	V	79.3	Confident	68.7	Low	35 Å²	35	77.5 Å²	77.5	21%	0.212	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	132.2	173.4	-178.5	0	0	0	0	107	L26 S31 Y33 A39	V24-L26 HydrophobicContact CG1-CB 4.15Å; V24-S31 PolarHBondContact N-O 3.49Å; V24-S31 PolarHBondContact O-N 2.75Å; V24-Y33 HydrophobicContact CB-CE2 4.19Å; V24-Y33 HydrophobicContact CG2-CD2 4.19Å; V24-Y33 HydrophobicContact CG2-CE2 3.94Å; V24-A39 HydrophobicContact CG2-CB 3.92Å
25	V	78.4	Confident	70.5	Confident	21 Å²	21	71.9 Å²	71.9	13%	0.127	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	131.2	161.5	-178.7	0	0	0	0	106.1	V29 I30 L51 W93 L97 H100	V25-V29 WeakPolarHBondContact CA-O 3.48Å; V25-I30 HydrophobicContact CG2-CB 3.99Å; V25-I30 HydrophobicContact CG2-CD1 4.29Å; V25-I30 HydrophobicContact CG2-CG1 3.89Å; V25-L51 HydrophobicContact CG1-CD1 3.65Å; V25-W93 HydrophobicContact CG2-CZ3 3.8Å; V25-L97 HydrophobicContact CG2-CD2 3.63Å; V25-H100 HydrophobicContact CG1-CB 3.58Å; V25-H100 WeakPolarHBondContact CG1-CD2 3.32Å
26	L	78.1	Confident	72.2	Confident	93 Å²	93	66.6 Å²	66.6	49%	0.487	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	139.4	-177.6	-175.1	63.4	0	0	0	106.9	V24 G28 V29	V24-L26 HydrophobicContact CG1-CB 4.15Å; L26-G28 PolarHBondContact O-N 2.76Å; L26-G28 VanDerWaalsContact O-N 3.07Å; L26-V29 PolarHBondContact N-O 3.03Å; L26-V29 PolarHBondContact O-N 3.27Å
27	D	77.3	Confident	74	Confident	105 Å²	105	59.2 Å²	59.2	56%	0.561	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.6	40.8	171.9	-42.3	-23.7	0	0	0	114.3	V29 Y103	D27-V29 VanDerWaalsContact C-N 3.29Å; D27-V29 PolarHBondContact O-N 2.78Å; D27-Y103 HydrophobicContact CB-CE1 4.48Å
28	G	78.9	Confident	75.3	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.3	2.8	-179.7	0	0	0	0	0	115.7	L26 L51	L26-G28 PolarHBondContact O-N 2.76Å; L26-G28 VanDerWaalsContact O-N 3.07Å; G28-L51 VanDerWaalsContact O-CB 3.23Å; G28-L51 WeakPolarHBondContact O-CB 3.49Å; G28-L51 WeakPolarHBondContact O-CG 3.42Å; G28-L51 PolarHBondContact O-N 3.1Å
29	V	80.1	Confident	76.1	Confident	46 Å²	46	50.5 Å²	50.5	28%	0.279	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	125.7	-176.4	-179	0	0	0	0	111.3	V25 L26 D27 C48 K49	V25-V29 WeakPolarHBondContact CA-O 3.48Å; L26-V29 PolarHBondContact N-O 3.03Å; L26-V29 PolarHBondContact O-N 3.27Å; D27-V29 VanDerWaalsContact C-N 3.29Å; D27-V29 PolarHBondContact O-N 2.78Å; V29-C48 HydrophobicContact CG1-CB 3.82Å; V29-K49 WeakPolarHBondContact CA-O 3.12Å; V29-K49 WeakPolarHBondContact CG1-O 3.38Å
30	I	84.1	Confident	76.8	Confident	3 Å²	3	45.6 Å²	45.6	2%	0.015	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	123.2	166.8	-173.7	171.4	0	0	0	109.8	V23 V25 C48 K49 L51 L68 F78 L97	V23-I30 HydrophobicContact CG1-CD1 3.83Å; V23-I30 HydrophobicContact CG1-CG1 3.72Å; V25-I30 HydrophobicContact CG2-CB 3.99Å; V25-I30 HydrophobicContact CG2-CD1 4.29Å; V25-I30 HydrophobicContact CG2-CG1 3.89Å; I30-C48 CarbonylContact O-C 3.58Å; I30-C48 WeakPolarHBondContact O-CA 2.97Å; I30-C48 WeakPolarHBondContact O-CB 3.36Å; I30-K49 HydrophobicContact CG2-CB 3.92Å; I30-K49 WeakPolarHBondContact CG2-O 3.34Å; I30-K49 PolarHBondContact N-O 3.26Å; I30-K49 PolarHBondContact O-N 3.49Å; I30-L51 HydrophobicContact CB-CD2 4.14Å; I30-L51 HydrophobicContact CB-CG 4.48Å; I30-L51 HydrophobicContact CG2-CD2 3.75Å; I30-L51 HydrophobicContact CG2-CG 4.37Å; I30-L68 HydrophobicContact CD1-CD2 4.35Å; I30-L68 HydrophobicContact CG2-CD2 4.18Å; I30-F78 HydrophobicContact CD1-CE1 4.1Å; I30-F78 HydrophobicContact CD1-CE2 4.08Å; I30-F78 HydrophobicContact CD1-CZ 3.5Å; I30-F78 VanDerWaalsContact CD1-CZ 3.5Å; I30-L97 HydrophobicContact CD1-CD2 4.2Å
31	S	82.1	Confident	77.1	Confident	8 Å²	8	45.2 Å²	45.2	6%	0.056	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	145.3	-179.2	-67.5	0	0	0	0	111.3	V23 V24 R45 C48	V23-S31 WeakPolarHBondContact CA-O 3.42Å; V24-S31 PolarHBondContact N-O 3.49Å; V24-S31 PolarHBondContact O-N 2.75Å; S31-R45 WeakPolarHBondContact OG-CD 3.22Å; S31-R45 PolarHBondContact OG-NH1 3.12Å; S31-C48 WeakPolarHBondContact OG-CB 3.34Å
32	W	81.9	Confident	77	Confident	32 Å²	32	48.1 Å²	48.1	12%	0.121	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	145.4	177.3	59	90.5	0	0	0	114.3	Y21 W22 V23 Q46 G47 H76	Y21-W32 HydrophobicContact CG-CB 4.49Å; W22-W32 CarbonylContact O-C 3.49Å; W22-W32 WeakPolarHBondContact O-CA 3.34Å; V23-W32 HydrophobicContact CG2-CB 4.4Å; W32-Q46 PolarHBondContact NE1-O 2.96Å; W32-Q46 PolarHBondContact O-N 3.28Å; W32-G47 PolarHBondContact N-O 2.83Å; W32-H76 AromaticContact CH2-CE1 3.75Å
33	Y	82.3	Confident	76.6	Confident	3 Å²	3	49 Å²	49	1%	0.012	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	154.3	-167.5	-58.9	-92.1	0	0	0	112.1	W22 V24 D38 A39 N42 V43 R45	W22-Y33 PolarHBondContact N-O 2.8Å; W22-Y33 PolarHBondContact O-N 2.8Å; V24-Y33 HydrophobicContact CB-CE2 4.19Å; V24-Y33 HydrophobicContact CG2-CD2 4.19Å; V24-Y33 HydrophobicContact CG2-CE2 3.94Å; Y33-D38 HydrophobicContact CD1-CB 4.38Å; Y33-A39 HydrophobicContact CD1-CB 4.45Å; Y33-A39 HydrophobicContact CD2-CB 3.55Å; Y33-A39 HydrophobicContact CE2-CB 4.22Å; Y33-A39 HydrophobicContact CG-CB 3.71Å; Y33-N42 PolarHBondContact OH-OD1 3.37Å; Y33-V43 WeakPolarHBondContact CD1-O 2.93Å; Y33-R45 HydrophobicContact CD1-CB 4.18Å; Y33-R45 HydrophobicContact CE1-CB 3.59Å; Y33-R45 HydrophobicContact CE1-CG 4.11Å
34	P	74.6	Confident	76.3	Confident	59 Å²	59	56.7 Å²	56.7	38%	0.383	32%	0.315	S	S	.	.	S	Bend	trans	-82.4	-17.6	-179.6	33.7	-32.4	0	0	0	113	Q46	P34-Q46 HydrophobicContact CB-CG 4.47Å; P34-Q46 HydrophobicContact CG-CG 4.27Å
35	K	77	Confident	76.2	Confident	115 Å²	115	60.5 Å²	60.5	50%	0.5	33%	0.326	S	S	.	.	S	Bend	trans	-144	155	-177.2	-54.3	-178.8	-172.6	172.4	0	111.8	W22 S37 D38 A39	W22-K35 VanDerWaalsContact CD1-CA 3.44Å; K35-S37 VanDerWaalsContact C-N 3.34Å; K35-S37 PolarHBondContact O-N 3.04Å; K35-D38 HydrophobicContact CB-CB 4.17Å; K35-D38 WeakPolarHBondContact CB-OD2 3.39Å; K35-D38 WeakPolarHBondContact CD-OD2 3.38Å; K35-D38 WeakPolarHBondContact CG-OD2 3.28Å; K35-D38 PolarHBondContact O-N 2.83Å; K35-A39 PolarHBondContact O-N 3.45Å
36	Q	74.3	Confident	76	Confident	102 Å²	102	65.2 Å²	65.2	48%	0.477	35%	0.346	S	S	.	.	H	α-helix	trans	-62.5	-40.2	176.5	-162.6	173.1	2.4	0	0	112.5	L2 W22 D38 A39 A40	L2-Q36 HydrophobicContact CD2-CG 4.27Å; W22-Q36 HydrophobicContact CD2-CB 3.81Å; W22-Q36 HydrophobicContact CD2-CG 4.15Å; W22-Q36 HydrophobicContact CE3-CB 4.03Å; W22-Q36 HydrophobicContact CE3-CG 3.82Å; W22-Q36 HydrophobicContact CH2-CB 3.81Å; W22-Q36 HydrophobicContact CH2-CG 3.69Å; W22-Q36 VanDerWaalsContact CH2-OE1 3.27Å; W22-Q36 HydrophobicContact CZ2-CB 3.59Å; W22-Q36 HydrophobicContact CZ2-CG 4.04Å; W22-Q36 HydrophobicContact CZ3-CB 4.03Å; W22-Q36 HydrophobicContact CZ3-CG 3.58Å; Q36-D38 VanDerWaalsContact C-N 3.32Å; Q36-D38 PolarHBondContact O-N 3Å; Q36-A39 PolarHBondContact O-N 2.85Å; Q36-A40 VanDerWaalsContact O-CB 3.29Å; Q36-A40 WeakPolarHBondContact O-CB 3.44Å; Q36-A40 PolarHBondContact O-N 2.81Å
37	S	76.1	Confident	75.8	Confident	74 Å²	74	61.7 Å²	61.7	52%	0.517	33%	0.333	S	S	.	.	H	α-helix	trans	-66.2	-34.8	177	58.9	0	0	0	0	112.6	K35 A41	K35-S37 VanDerWaalsContact C-N 3.34Å; K35-S37 PolarHBondContact O-N 3.04Å; S37-A41 WeakPolarHBondContact O-CB 3.29Å; S37-A41 PolarHBondContact O-N 3.24Å
38	D	78.6	Confident	76.1	Confident	3 Å²	3	59.1 Å²	59.1	2%	0.016	32%	0.322	C	S	.	.	H	α-helix	trans	-70.4	-41.5	177.2	-71.2	-35.3	0	0	0	109.9	Y33 K35 Q36 N42 V43 R44	Y33-D38 HydrophobicContact CD1-CB 4.38Å; K35-D38 HydrophobicContact CB-CB 4.17Å; K35-D38 WeakPolarHBondContact CB-OD2 3.39Å; K35-D38 WeakPolarHBondContact CD-OD2 3.38Å; K35-D38 WeakPolarHBondContact CG-OD2 3.28Å; K35-D38 PolarHBondContact O-N 2.83Å; Q36-D38 VanDerWaalsContact C-N 3.32Å; Q36-D38 PolarHBondContact O-N 3Å; D38-N42 PolarHBondContact O-N 2.76Å; D38-N42 VanDerWaalsContact O-N 3.14Å; D38-V43 CarbonylContact C-O 3.5Å; D38-V43 WeakPolarHBondContact CB-O 3.45Å; D38-V43 PolarHBondContact O-N 3.06Å; D38-V43 VanDerWaalsContact O-O 3.14Å; D38-R44 IonicContact OD1-CZ 3.75Å; D38-R44 VanDerWaalsContact OD1-CZ 3.24Å; D38-R44 IonicContact OD1-NE 3.92Å; D38-R44 PolarHBondContact OD1-NE 3.47Å; D38-R44 IonicContact OD1-NH2 2.84Å; D38-R44 PolarHBondContact OD1-NH2 2.92Å; D38-R44 IonicContact OD2-NE 2.81Å; D38-R44 IonicContact OD2-NH2 3.2Å
39	A	71.5	Confident	76.1	Confident	9 Å²	9	61.9 Å²	61.9	7%	0.074	33%	0.334	C	S	.	.	H	α-helix	trans	-64.3	-48.9	173.4	0	0	0	0	0	113.4	W22 V24 Y33 K35 Q36 A41 N42	W22-A39 HydrophobicContact CB-CB 4.02Å; V24-A39 HydrophobicContact CG2-CB 3.92Å; Y33-A39 HydrophobicContact CD1-CB 4.45Å; Y33-A39 HydrophobicContact CD2-CB 3.55Å; Y33-A39 HydrophobicContact CE2-CB 4.22Å; Y33-A39 HydrophobicContact CG-CB 3.71Å; K35-A39 PolarHBondContact O-N 3.45Å; Q36-A39 PolarHBondContact O-N 2.85Å; A39-A41 VanDerWaalsContact C-N 3.27Å; A39-A41 PolarHBondContact O-N 3.17Å; A39-N42 PolarHBondContact O-N 3.08Å
40	A	72.4	Confident	76.3	Confident	78 Å²	78	61.5 Å²	61.5	65%	0.645	33%	0.333	S	S	*	.	H	α-helix	trans	-70	-22	-175.7	0	0	0	0	0	113.7	Q36	Q36-A40 VanDerWaalsContact O-CB 3.29Å; Q36-A40 WeakPolarHBondContact O-CB 3.44Å; Q36-A40 PolarHBondContact O-N 2.81Å
41	A	71.9	Confident	76.1	Confident	63 Å²	63	61.3 Å²	61.3	52%	0.521	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	9	174.4	0	0	0	0	0	113.3	S37 A39 V43	S37-A41 WeakPolarHBondContact O-CB 3.29Å; S37-A41 PolarHBondContact O-N 3.24Å; A39-A41 VanDerWaalsContact C-N 3.27Å; A39-A41 PolarHBondContact O-N 3.17Å; A41-V43 VanDerWaalsContact C-N 3.27Å; A41-V43 HydrophobicContact CB-CG2 4.12Å; A41-V43 PolarHBondContact O-N 3.29Å
42	N	69.6	Low	76.1	Confident	104 Å²	104	61.9 Å²	61.9	56%	0.556	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	36.3	179.4	-160.8	13	0	0	0	114.6	Y33 D38 A39	Y33-N42 PolarHBondContact OH-OD1 3.37Å; D38-N42 PolarHBondContact O-N 2.76Å; D38-N42 VanDerWaalsContact O-N 3.14Å; A39-N42 PolarHBondContact O-N 3.08Å
43	V	62.7	Low	75.9	Confident	69 Å²	69	65.4 Å²	65.4	42%	0.418	36%	0.357	S	S	.	.			trans	-119.9	152.9	-177.6	-70.2	0	0	0	0	112.3	Y33 D38 A41 R45	Y33-V43 WeakPolarHBondContact CD1-O 2.93Å; D38-V43 CarbonylContact C-O 3.5Å; D38-V43 WeakPolarHBondContact CB-O 3.45Å; D38-V43 PolarHBondContact O-N 3.06Å; D38-V43 VanDerWaalsContact O-O 3.14Å; A41-V43 VanDerWaalsContact C-N 3.27Å; A41-V43 HydrophobicContact CB-CG2 4.12Å; A41-V43 PolarHBondContact O-N 3.29Å; V43-R45 PolarHBondContact O-N 3.14Å
44	R	70.6	Confident	76	Confident	169 Å²	169	65.6 Å²	65.6	64%	0.638	36%	0.359	S	S	*	.	S	Bend	trans	53.4	37.6	177.4	-61.9	-174	-72.9	-131.9	-6.7	114.1	D38	D38-R44 IonicContact OD1-CZ 3.75Å; D38-R44 VanDerWaalsContact OD1-CZ 3.24Å; D38-R44 IonicContact OD1-NE 3.92Å; D38-R44 PolarHBondContact OD1-NE 3.47Å; D38-R44 IonicContact OD1-NH2 2.84Å; D38-R44 PolarHBondContact OD1-NH2 2.92Å; D38-R44 IonicContact OD2-NE 2.81Å; D38-R44 IonicContact OD2-NH2 3.2Å
45	R	78.4	Confident	76.4	Confident	115 Å²	115	67 Å²	67	43%	0.434	36%	0.36	S	S	.	.			trans	-48	135.4	168.4	-175.9	156.5	60.6	-176.6	-4.1	110.7	S31 Y33 V43 G47	S31-R45 WeakPolarHBondContact OG-CD 3.22Å; S31-R45 PolarHBondContact OG-NH1 3.12Å; Y33-R45 HydrophobicContact CD1-CB 4.18Å; Y33-R45 HydrophobicContact CE1-CB 3.59Å; Y33-R45 HydrophobicContact CE1-CG 4.11Å; V43-R45 PolarHBondContact O-N 3.14Å; R45-G47 VanDerWaalsContact CG-O 3.3Å; R45-G47 WeakPolarHBondContact CG-O 3.36Å
46	Q	74.3	Confident	76.8	Confident	119 Å²	119	63.5 Å²	63.5	56%	0.556	35%	0.35	S	S	*	.			trans	-97.2	-7.9	178.1	-70.6	-74.6	-85	0	0	112.7	W32 P34	W32-Q46 PolarHBondContact NE1-O 2.96Å; W32-Q46 PolarHBondContact O-N 3.28Å; P34-Q46 HydrophobicContact CB-CG 4.47Å; P34-Q46 HydrophobicContact CG-CG 4.27Å
47	G	73.6	Confident	77.1	Confident	20 Å²	20	63 Å²	63	21%	0.206	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	162.2	168.4	172.1	0	0	0	0	0	111.2	W32 R45	W32-G47 PolarHBondContact N-O 2.83Å; R45-G47 VanDerWaalsContact CG-O 3.3Å; R45-G47 WeakPolarHBondContact CG-O 3.36Å
48	C	83.6	Confident	77.4	Confident	50 Å²	50	64.1 Å²	64.1	34%	0.338	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	165.3	174.2	47.2	0	0	0	0	111.8	V29 I30 S31	V29-C48 HydrophobicContact CG1-CB 3.82Å; I30-C48 CarbonylContact O-C 3.58Å; I30-C48 WeakPolarHBondContact O-CA 2.97Å; I30-C48 WeakPolarHBondContact O-CB 3.36Å; S31-C48 WeakPolarHBondContact OG-CB 3.34Å
49	K	79	Confident	77	Confident	58 Å²	58	71.4 Å²	71.4	25%	0.252	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	144.8	166.6	-73.8	-66.5	179.2	-179.1	0	109.9	V29 I30 D72 S74 H76	V29-K49 WeakPolarHBondContact CA-O 3.12Å; V29-K49 WeakPolarHBondContact CG1-O 3.38Å; I30-K49 HydrophobicContact CG2-CB 3.92Å; I30-K49 WeakPolarHBondContact CG2-O 3.34Å; I30-K49 PolarHBondContact N-O 3.26Å; I30-K49 PolarHBondContact O-N 3.49Å; K49-D72 IonicContact NZ-OD2 2.78Å; K49-D72 PolarHBondContact NZ-OD2 3.33Å; K49-S74 WeakPolarHBondContact CE-OG 3.36Å; K49-H76 WeakPolarHBondContact CE-NE2 3.47Å; K49-H76 WeakPolarHBondContact CG-NE2 3.46Å
50	S	82.9	Confident	76.4	Confident	38 Å²	38	75.9 Å²	75.9	27%	0.266	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	149	161.8	-172.4	0	0	0	0	109.7	T52 S104	S50-T52 PolarHBondContact OG-N 2.78Å; S50-T52 PolarHBondContact OG-OG1 3.31Å; S50-S104 PolarHBondContact OG-OG 3.24Å; S50-S104 VanDerWaalsContact OG-OG 3.13Å
51	L	81.4	Confident	75.8	Confident	0 Å²	0	82.1 Å²	82.1	0%	0	43%	0.426	C	S	.	.			trans	-96.6	2.2	173.8	-60.2	174	0	0	0	112.8	V25 G28 I30 N53 A54 L68 L97 H100 S101	V25-L51 HydrophobicContact CG1-CD1 3.65Å; G28-L51 VanDerWaalsContact O-CB 3.23Å; G28-L51 WeakPolarHBondContact O-CB 3.49Å; G28-L51 WeakPolarHBondContact O-CG 3.42Å; G28-L51 PolarHBondContact O-N 3.1Å; I30-L51 HydrophobicContact CB-CD2 4.14Å; I30-L51 HydrophobicContact CB-CG 4.48Å; I30-L51 HydrophobicContact CG2-CD2 3.75Å; I30-L51 HydrophobicContact CG2-CG 4.37Å; L51-N53 PolarHBondContact O-N 3.03Å; L51-A54 HydrophobicContact CB-CB 4.3Å; L51-A54 HydrophobicContact CD2-CB 4.21Å; L51-A54 WeakPolarHBondContact O-CB 3.43Å; L51-A54 PolarHBondContact O-N 3.18Å; L51-L68 HydrophobicContact CD2-CD1 4.18Å; L51-L68 HydrophobicContact CD2-CD2 3.71Å; L51-L97 HydrophobicContact CD1-CD2 3.73Å; L51-L97 HydrophobicContact CD2-CD2 3.95Å; L51-H100 HydrophobicContact CD1-CB 3.77Å; L51-S101 PolarHBondContact O-OG 3.22Å; L51-S101 VanDerWaalsContact O-OG 3.04Å
52	T	81.9	Confident	75.8	Confident	20 Å²	20	81.6 Å²	81.6	12%	0.123	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-46.8	123.2	171.2	-42.9	0	0	0	0	110.7	S50 A54 F71 S104 C108	S50-T52 PolarHBondContact OG-N 2.78Å; S50-T52 PolarHBondContact OG-OG1 3.31Å; T52-A54 PolarHBondContact O-N 2.84Å; T52-F71 WeakPolarHBondContact O-CD1 3.41Å; T52-S104 PolarHBondContact N-OG 3.16Å; T52-S104 VanDerWaalsContact N-OG 3.1Å; T52-S104 PolarHBondContact OG1-OG 2.79Å; T52-C108 HydrophobicContact CG2-CB 3.72Å; T52-C108 PolarHBondContact OG1-SG 3.43Å
53	N	78.1	Confident	75.8	Confident	105 Å²	105	79.9 Å²	79.9	56%	0.561	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	17.1	-175.7	-67.6	-55.7	0	0	0	115.7	L51 H55 F71 T105	L51-N53 PolarHBondContact O-N 3.03Å; N53-H55 PolarHBondContact O-ND1 2.99Å; N53-F71 HydrophobicContact CB-CB 4.12Å; N53-T105 PolarHBondContact N-OG1 2.81Å; N53-T105 WeakPolarHBondContact OD1-CG2 3.25Å
54	A	83.1	Confident	76.3	Confident	7 Å²	7	77.3 Å²	77.3	6%	0.058	39%	0.39	C	S	.	.			trans	-82	142.3	-179.8	0	0	0	0	0	111.3	L51 T52 L68 K69 S101	L51-A54 HydrophobicContact CB-CB 4.3Å; L51-A54 HydrophobicContact CD2-CB 4.21Å; L51-A54 WeakPolarHBondContact O-CB 3.43Å; L51-A54 PolarHBondContact O-N 3.18Å; T52-A54 PolarHBondContact O-N 2.84Å; A54-L68 HydrophobicContact CB-CD1 3.97Å; A54-K69 CarbonylContact C-O 3.53Å; A54-K69 WeakPolarHBondContact CA-O 3.3Å; A54-K69 WeakPolarHBondContact CB-O 3.31Å; A54-S101 WeakPolarHBondContact O-CB 3.48Å; A54-S101 PolarHBondContact O-OG 3.12Å
55	H	84.4	Confident	76.7	Confident	89 Å²	89	70.3 Å²	70.3	41%	0.412	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	143.7	-174.8	49.6	-84.8	0	0	0	112.2	N53 K69	N53-H55 PolarHBondContact O-ND1 2.99Å; H55-K69 PolarHBondContact N-O 3.23Å; H55-K69 PolarHBondContact O-N 3.28Å
56	C	84.8	Confident	76.9	Confident	41 Å²	41	65 Å²	65	28%	0.277	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	133.5	-177.9	-74.3	0	0	0	0	112.1	T67 L94	C56-T67 CarbonylContact C-O 3.52Å; C56-T67 WeakPolarHBondContact CA-O 3.38Å; C56-L94 HydrophobicContact CB-CD2 3.44Å; C56-L94 VanDerWaalsContact CB-CD2 3.44Å
57	L	81.3	Confident	77.2	Confident	91 Å²	91	59.7 Å²	59.7	48%	0.476	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	123.4	179	-59.6	175.1	0	0	0	109.9	T67	L57-T67 PolarHBondContact N-O 2.86Å; L57-T67 PolarHBondContact O-N 3.07Å
58	I	81	Confident	77.7	Confident	98 Å²	98	58.9 Å²	58.9	50%	0.503	31%	0.311	S	S	.	.			trans	-100.8	134.6	179.7	-50.1	174.6	0	0	0	109.6	L94	I58-L94 HydrophobicContact CD1-CD1 3.58Å; I58-L94 HydrophobicContact CG1-CD1 4.05Å; I58-L94 HydrophobicContact CG1-CD2 4.37Å
59	R	70.1	Confident	77.6	Confident	157 Å²	157	59.3 Å²	59.3	59%	0.592	31%	0.307	S	S	*	.			trans	-97.4	118.4	170.2	-65	-174.4	-178.6	-174.8	0.8	109.6	K61 D62 F65	R59-K61 PolarHBondContact O-N 3.44Å; R59-D62 PolarHBondContact O-N 3.07Å; R59-F65 HydrophobicContact CG-CE1 4.29Å
60	A	58.9	Low	77.8	Confident	102 Å²	102	56.7 Å²	56.7	84%	0.843	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	24.4	-170.8	0	0	0	0	0	116.9
61	K	61.4	Low	77.5	Confident	210 Å²	210	61.1 Å²	61.1	91%	0.913	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.4	-1.1	179.2	-68.3	-169.4	177.3	-177.2	0	115.3	R59	R59-K61 PolarHBondContact O-N 3.44Å
62	D	70.1	Confident	77.1	Confident	52 Å²	52	64.3 Å²	64.3	28%	0.278	33%	0.328	S	S	.	.			trans	-131.8	111.5	172.2	-176.2	-19.6	0	0	0	109.4	R59 C64 F65 K79 R90	R59-D62 PolarHBondContact O-N 3.07Å; D62-C64 VanDerWaalsContact C-N 3.26Å; D62-C64 PolarHBondContact O-N 2.77Å; D62-C64 WeakPolarHBondContact OD1-CB 3.41Å; D62-C64 PolarHBondContact OD1-N 2.92Å; D62-F65 HydrophobicContact CB-CB 3.87Å; D62-F65 PolarHBondContact O-N 2.88Å; D62-K79 VanDerWaalsContact CG-NZ 3.33Å; D62-K79 IonicContact OD1-NZ 3.21Å; D62-K79 PolarHBondContact OD1-NZ 2.73Å; D62-K79 IonicContact OD2-NZ 2.64Å; D62-K79 PolarHBondContact OD2-NZ 2.86Å; D62-R90 PolarHBondContact O-NH1 3.5Å
63	N	71.3	Confident	76.6	Confident	68 Å²	68	68.9 Å²	68.9	36%	0.364	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-5.2	-174.8	-75.9	-3.2	0	0	0	114.3	E87 R90	N63-E87 HydrophobicContact CB-CG 3.68Å; N63-E87 VanDerWaalsContact ND2-CD 3.3Å; N63-E87 PolarHBondContact ND2-OE1 2.72Å; N63-R90 PolarHBondContact O-NE 3.29Å; N63-R90 PolarHBondContact OD1-NH2 2.96Å
64	C	72.1	Confident	76.5	Confident	14 Å²	14	65 Å²	65	10%	0.095	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-7	173.3	-58.4	0	0	0	0	113	D62 K79 V80 P86	D62-C64 VanDerWaalsContact C-N 3.26Å; D62-C64 PolarHBondContact O-N 2.77Å; D62-C64 WeakPolarHBondContact OD1-CB 3.41Å; D62-C64 PolarHBondContact OD1-N 2.92Å; C64-K79 HydrophobicContact CB-CG 3.92Å; C64-K79 CarbonylContact O-C 3.58Å; C64-K79 WeakPolarHBondContact O-CA 3.42Å; C64-V80 PolarHBondContact O-N 2.7Å; C64-P86 VanDerWaalsContact SG-CB 3.56Å
65	F	78.6	Confident	76.3	Confident	22 Å²	22	67 Å²	67	10%	0.096	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	144.9	-164.6	-177.6	-92	0	0	0	113.2	W18 R59 D62 H77 F78 R90	W18-F65 HydrophobicContact CH2-CD2 4.23Å; W18-F65 HydrophobicContact CH2-CE2 4.12Å; R59-F65 HydrophobicContact CG-CE1 4.29Å; D62-F65 HydrophobicContact CB-CB 3.87Å; D62-F65 PolarHBondContact O-N 2.88Å; F65-H77 HydrophobicContact CE2-CB 4.23Å; F65-H77 HydrophobicContact CZ-CB 4.35Å; F65-H77 AromaticContact CZ-CD2 3.72Å; F65-F78 WeakPolarHBondContact CD2-O 3.24Å; F65-R90 WeakPolarHBondContact O-CD 3.18Å; F65-R90 PolarHBondContact O-NH1 2.87Å
66	F	82.6	Confident	76	Confident	5 Å²	5	63.7 Å²	63.7	2%	0.022	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	162.1	165.6	67.4	-85	0	0	0	110.8	F78 V80 R90 W93 L94 L97	F66-F78 HydrophobicContact CD1-CB 4.05Å; F66-F78 HydrophobicContact CD2-CB 4.18Å; F66-F78 HydrophobicContact CD2-CD2 4.23Å; F66-F78 HydrophobicContact CE1-CB 3.61Å; F66-F78 HydrophobicContact CE1-CG 4.47Å; F66-F78 HydrophobicContact CE2-CB 3.73Å; F66-F78 AromaticContact CE2-CD2 3.58Å; F66-F78 HydrophobicContact CE2-CD2 3.58Å; F66-F78 AromaticContact CE2-CG 3.9Å; F66-F78 HydrophobicContact CE2-CG 3.9Å; F66-F78 HydrophobicContact CG-CB 4.33Å; F66-F78 HydrophobicContact CZ-CB 3.44Å; F66-F78 VanDerWaalsContact CZ-CB 3.44Å; F66-F78 AromaticContact CZ-CD2 3.99Å; F66-F78 HydrophobicContact CZ-CD2 3.99Å; F66-F78 AromaticContact CZ-CG 3.82Å; F66-F78 HydrophobicContact CZ-CG 3.82Å; F66-F78 PolarHBondContact N-O 2.93Å; F66-F78 PolarHBondContact O-N 3.44Å; F66-V80 HydrophobicContact CE1-CG2 4.12Å; F66-R90 HydrophobicContact CD1-CG 4.06Å; F66-W93 HydrophobicContact CE1-CB 4.12Å; F66-W93 HydrophobicContact CZ-CB 4.16Å; F66-L94 HydrophobicContact CB-CD2 3.98Å; F66-L94 HydrophobicContact CD2-CD2 4.09Å; F66-L94 HydrophobicContact CG-CD2 4.05Å; F66-L97 HydrophobicContact CD2-CD1 4.49Å; F66-L97 HydrophobicContact CE2-CD1 3.46Å; F66-L97 VanDerWaalsContact CE2-CD1 3.46Å; F66-L97 HydrophobicContact CZ-CD1 3.87Å
67	T	82.2	Confident	75.7	Confident	7 Å²	7	63.6 Å²	63.6	4%	0.043	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	126.9	176.7	-64.2	0	0	0	0	109.1	C56 L57 V75 H76 H77	C56-T67 CarbonylContact C-O 3.52Å; C56-T67 WeakPolarHBondContact CA-O 3.38Å; L57-T67 PolarHBondContact N-O 2.86Å; L57-T67 PolarHBondContact O-N 3.07Å; T67-V75 HydrophobicContact CG2-CG1 3.3Å; T67-H76 CarbonylContact C-O 3.5Å; T67-H76 WeakPolarHBondContact CA-O 3.29Å; T67-H77 PolarHBondContact OG1-CD2 2.97Å; T67-H77 VanDerWaalsContact OG1-CD2 3.27Å
68	L	83.7	Confident	75.5	Confident	2 Å²	2	60 Å²	60	1%	0.01	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	128.7	167.7	179.6	69.9	0	0	0	108.5	I30 L51 A54 H76 F78	I30-L68 HydrophobicContact CD1-CD2 4.35Å; I30-L68 HydrophobicContact CG2-CD2 4.18Å; L51-L68 HydrophobicContact CD2-CD1 4.18Å; L51-L68 HydrophobicContact CD2-CD2 3.71Å; A54-L68 HydrophobicContact CB-CD1 3.97Å; L68-H76 HydrophobicContact CB-CB 4.39Å; L68-H76 PolarHBondContact N-O 3.11Å; L68-H76 PolarHBondContact O-N 3.45Å; L68-F78 HydrophobicContact CB-CD2 4.22Å; L68-F78 HydrophobicContact CB-CE2 3.85Å; L68-F78 HydrophobicContact CD2-CE2 4.17Å
69	K	81.9	Confident	75.2	Confident	60 Å²	60	58.2 Å²	58.2	26%	0.261	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	125.4	165.2	-175.1	-177	176.2	-158.3	0	108.6	A54 H55 D73 V75	A54-K69 CarbonylContact C-O 3.53Å; A54-K69 WeakPolarHBondContact CA-O 3.3Å; A54-K69 WeakPolarHBondContact CB-O 3.31Å; H55-K69 PolarHBondContact N-O 3.23Å; H55-K69 PolarHBondContact O-N 3.28Å; K69-D73 WeakPolarHBondContact CE-OD1 3.38Å; K69-D73 IonicContact NZ-OD1 2.64Å; K69-D73 PolarHBondContact NZ-OD1 2.67Å; K69-V75 HydrophobicContact CG-CG2 4.35Å
70	C	81.4	Confident	75.4	Confident	2 Å²	2	51 Å²	51	1%	0.014	27%	0.266	C	S	.	.			trans	-90.5	167.9	176.2	-56.4	0	0	0	0	111.2	D72 D73 S74	C70-D72 VanDerWaalsContact CB-OD1 3.25Å; C70-D72 WeakPolarHBondContact CB-OD1 3.45Å; C70-D72 PolarHBondContact O-N 3.15Å; C70-D73 PolarHBondContact O-N 2.81Å; C70-S74 PolarHBondContact N-O 2.51Å
71	F	78.1	Confident	75.8	Confident	132 Å²	132	47.6 Å²	47.6	58%	0.579	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-30.1	-179.8	75.9	-89	0	0	0	113.8	T52 N53 D73	T52-F71 WeakPolarHBondContact O-CD1 3.41Å; N53-F71 HydrophobicContact CB-CB 4.12Å; F71-D73 PolarHBondContact O-N 2.77Å
72	D	71.4	Confident	75.7	Confident	67 Å²	67	41.9 Å²	41.9	36%	0.358	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	24.8	179.9	72.4	-23.2	0	0	0	113.6	K49 C70 S74	K49-D72 IonicContact NZ-OD2 2.78Å; K49-D72 PolarHBondContact NZ-OD2 3.33Å; C70-D72 VanDerWaalsContact CB-OD1 3.25Å; C70-D72 WeakPolarHBondContact CB-OD1 3.45Å; C70-D72 PolarHBondContact O-N 3.15Å; D72-S74 PolarHBondContact O-N 2.92Å; D72-S74 WeakPolarHBondContact OD1-CB 3.21Å; D72-S74 PolarHBondContact OD1-N 3Å; D72-S74 VanDerWaalsContact OD1-N 3.08Å; D72-S74 PolarHBondContact OD1-OG 3.24Å; D72-S74 PolarHBondContact OD2-OG 3.49Å
73	D	71.9	Confident	75.2	Confident	116 Å²	116	48.8 Å²	48.8	62%	0.62	25%	0.248	S	C	*	.	S	Bend	trans	54	5.1	-169	-84.8	-46.8	0	0	0	115.6	K69 C70 F71 V75	K69-D73 WeakPolarHBondContact CE-OD1 3.38Å; K69-D73 IonicContact NZ-OD1 2.64Å; K69-D73 PolarHBondContact NZ-OD1 2.67Å; C70-D73 PolarHBondContact O-N 2.81Å; F71-D73 PolarHBondContact O-N 2.77Å; D73-V75 WeakPolarHBondContact O-CG2 3.22Å; D73-V75 PolarHBondContact O-N 3.46Å
74	S	76.7	Confident	74.4	Confident	23 Å²	23	48.2 Å²	48.2	16%	0.161	25%	0.249	C	C	.	.			trans	-73.7	130.7	-178.5	75.3	0	0	0	0	112	K49 C70 D72 H76	K49-S74 WeakPolarHBondContact CE-OG 3.36Å; C70-S74 PolarHBondContact N-O 2.51Å; D72-S74 PolarHBondContact O-N 2.92Å; D72-S74 WeakPolarHBondContact OD1-CB 3.21Å; D72-S74 PolarHBondContact OD1-N 3Å; D72-S74 VanDerWaalsContact OD1-N 3.08Å; D72-S74 PolarHBondContact OD1-OG 3.24Å; D72-S74 PolarHBondContact OD2-OG 3.49Å; S74-H76 WeakPolarHBondContact CB-NE2 3.2Å; S74-H76 PolarHBondContact OG-NE2 3.04Å
75	V	77.6	Confident	74.5	Confident	48 Å²	48	54.9 Å²	54.9	29%	0.291	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	118.8	-172.6	-174.8	0	0	0	0	110.3	T67 K69 D73	T67-V75 HydrophobicContact CG2-CG1 3.3Å; K69-V75 HydrophobicContact CG-CG2 4.35Å; D73-V75 WeakPolarHBondContact O-CG2 3.22Å; D73-V75 PolarHBondContact O-N 3.46Å
76	H	78.6	Confident	74.1	Confident	20 Å²	20	55.3 Å²	55.3	9%	0.093	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	127.4	-175.9	-58.6	-98.9	0	0	0	110.4	F7 W32 K49 T67 L68 S74 F78	F7-H76 HydrophobicContact CD2-CB 4.41Å; F7-H76 HydrophobicContact CE2-CB 3.97Å; F7-H76 AromaticContact CE2-CG 3.93Å; F7-H76 AromaticContact CE2-ND1 3.25Å; F7-H76 VanDerWaalsContact CE2-ND1 3.25Å; F7-H76 WeakPolarHBondContact CE2-ND1 3.43Å; F7-H76 AromaticContact CZ-ND1 3.8Å; W32-H76 AromaticContact CH2-CE1 3.75Å; K49-H76 WeakPolarHBondContact CE-NE2 3.47Å; K49-H76 WeakPolarHBondContact CG-NE2 3.46Å; T67-H76 CarbonylContact C-O 3.5Å; T67-H76 WeakPolarHBondContact CA-O 3.29Å; L68-H76 HydrophobicContact CB-CB 4.39Å; L68-H76 PolarHBondContact N-O 3.11Å; L68-H76 PolarHBondContact O-N 3.45Å; S74-H76 WeakPolarHBondContact CB-NE2 3.2Å; S74-H76 PolarHBondContact OG-NE2 3.04Å; H76-F78 HydrophobicContact CB-CD2 4.45Å; H76-F78 HydrophobicContact CB-CE2 3.61Å; H76-F78 HydrophobicContact CB-CZ 3.98Å
77	H	78.3	Confident	73.8	Confident	39 Å²	39	60.5 Å²	60.5	18%	0.181	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	121.3	-174.2	-62.5	99	0	0	0	110.5	F65 T67	F65-H77 HydrophobicContact CE2-CB 4.23Å; F65-H77 HydrophobicContact CZ-CB 4.35Å; F65-H77 AromaticContact CZ-CD2 3.72Å; T67-H77 PolarHBondContact OG1-CD2 2.97Å; T67-H77 VanDerWaalsContact OG1-CD2 3.27Å
78	F	76.7	Confident	73.5	Confident	17 Å²	17	62.6 Å²	62.6	8%	0.075	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	143.4	-175.5	-67	-76	0	0	0	111.7	V23 I30 F65 F66 L68 H76	V23-F78 HydrophobicContact CG2-CE1 4.5Å; I30-F78 HydrophobicContact CD1-CE1 4.1Å; I30-F78 HydrophobicContact CD1-CE2 4.08Å; I30-F78 HydrophobicContact CD1-CZ 3.5Å; I30-F78 VanDerWaalsContact CD1-CZ 3.5Å; F65-F78 WeakPolarHBondContact CD2-O 3.24Å; F66-F78 HydrophobicContact CD1-CB 4.05Å; F66-F78 HydrophobicContact CD2-CB 4.18Å; F66-F78 HydrophobicContact CD2-CD2 4.23Å; F66-F78 HydrophobicContact CE1-CB 3.61Å; F66-F78 HydrophobicContact CE1-CG 4.47Å; F66-F78 HydrophobicContact CE2-CB 3.73Å; F66-F78 AromaticContact CE2-CD2 3.58Å; F66-F78 HydrophobicContact CE2-CD2 3.58Å; F66-F78 AromaticContact CE2-CG 3.9Å; F66-F78 HydrophobicContact CE2-CG 3.9Å; F66-F78 HydrophobicContact CG-CB 4.33Å; F66-F78 HydrophobicContact CZ-CB 3.44Å; F66-F78 VanDerWaalsContact CZ-CB 3.44Å; F66-F78 AromaticContact CZ-CD2 3.99Å; F66-F78 HydrophobicContact CZ-CD2 3.99Å; F66-F78 AromaticContact CZ-CG 3.82Å; F66-F78 HydrophobicContact CZ-CG 3.82Å; F66-F78 PolarHBondContact N-O 2.93Å; F66-F78 PolarHBondContact O-N 3.44Å; L68-F78 HydrophobicContact CB-CD2 4.22Å; L68-F78 HydrophobicContact CB-CE2 3.85Å; L68-F78 HydrophobicContact CD2-CE2 4.17Å; H76-F78 HydrophobicContact CB-CD2 4.45Å; H76-F78 HydrophobicContact CB-CE2 3.61Å; H76-F78 HydrophobicContact CB-CZ 3.98Å
79	K	76.4	Confident	73.2	Confident	60 Å²	60	63.9 Å²	63.9	26%	0.261	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	120.1	173.9	-167	171.4	179.9	103.9	0	112.1	W18 D62 C64	W18-K79 HydrophobicContact CE3-CB 4.27Å; W18-K79 HydrophobicContact CH2-CB 3.88Å; W18-K79 HydrophobicContact CH2-CD 4.1Å; W18-K79 HydrophobicContact CZ2-CD 4.08Å; W18-K79 HydrophobicContact CZ3-CB 3.67Å; D62-K79 VanDerWaalsContact CG-NZ 3.33Å; D62-K79 IonicContact OD1-NZ 3.21Å; D62-K79 PolarHBondContact OD1-NZ 2.73Å; D62-K79 IonicContact OD2-NZ 2.64Å; D62-K79 PolarHBondContact OD2-NZ 2.86Å; C64-K79 HydrophobicContact CB-CG 3.92Å; C64-K79 CarbonylContact O-C 3.58Å; C64-K79 WeakPolarHBondContact O-CA 3.42Å
80	V	73.3	Confident	73.2	Confident	6 Å²	6	62.3 Å²	62.3	4%	0.036	33%	0.327	C	S	.	.			trans	-74.9	153.6	178.6	178.1	0	0	0	0	110.8	C64 F66 P82 T89 R90	C64-V80 PolarHBondContact O-N 2.7Å; F66-V80 HydrophobicContact CE1-CG2 4.12Å; V80-P82 WeakPolarHBondContact O-CD 3.4Å; V80-T89 HydrophobicContact CG1-CG2 3.48Å; V80-T89 VanDerWaalsContact CG1-CG2 3.48Å; V80-R90 HydrophobicContact CG2-CB 4.06Å
81	C	67.8	Low	73.2	Confident	30 Å²	30	68.2 Å²	68.2	20%	0.203	35%	0.352	C	S	.	.			trans	-67.1	125	180	-165.3	0	0	0	0	112	F5 K83	F5-C81 HydrophobicContact CD2-CB 4.11Å; F5-C81 HydrophobicContact CE2-CB 4.25Å; C81-K83 PolarHBondContact O-N 3.28Å
82	P	60	Low	73.3	Confident	89 Å²	89	64.1 Å²	64.1	58%	0.578	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-6.4	177.5	-22.1	33.8	0	0	0	115.5	V80	V80-P82 WeakPolarHBondContact O-CD 3.4Å
83	K	57.9	Low	73.7	Confident	198 Å²	198	62.4 Å²	62.4	86%	0.861	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-3.7	-172.4	-62.9	-173.3	176.8	-175.6	0	114.5	C81	C81-K83 PolarHBondContact O-N 3.28Å
84	S	56	Low	74.3	Confident	56 Å²	56	57.8 Å²	57.8	39%	0.392	31%	0.306	S	S	.	.	S	Bend	trans	-142.1	80.9	-170.8	54.6	0	0	0	0	109.7	T89	S84-T89 PolarHBondContact O-OG1 3.45Å
85	E	72.6	Confident	74.5	Confident	153 Å²	153	60.2 Å²	60.2	72%	0.715	32%	0.317	S	S	*	.			trans	34.3	68.7	178.9	-63.3	-171.5	173.8	0	0	113.1	E87 A88 T89	E85-E87 PolarHBondContact O-N 3.08Å; E85-A88 HydrophobicContact CB-CB 4.11Å; E85-A88 PolarHBondContact O-N 3.44Å; E85-T89 PolarHBondContact O-N 3.38Å; E85-T89 PolarHBondContact O-OG1 3.25Å
86	P	71.1	Confident	74.7	Confident	32 Å²	32	59.3 Å²	59.3	21%	0.208	32%	0.315	C	S	.	.	H	α-helix	trans	-60.5	-27.9	-163.7	20.7	-32.7	0	0	0	113.7	C64 R90	C64-P86 VanDerWaalsContact SG-CB 3.56Å; P86-R90 WeakPolarHBondContact O-CB 3.46Å; P86-R90 PolarHBondContact O-N 3.23Å
87	E	75.6	Confident	75	Confident	113 Å²	113	58.5 Å²	58.5	53%	0.528	31%	0.311	S	S	.	.	H	α-helix	trans	-72	-45.8	176	-71.7	172.4	-144.7	0	0	112.5	N63 E85 R90 K91	N63-E87 HydrophobicContact CB-CG 3.68Å; N63-E87 VanDerWaalsContact ND2-CD 3.3Å; N63-E87 PolarHBondContact ND2-OE1 2.72Å; E85-E87 PolarHBondContact O-N 3.08Å; E87-R90 PolarHBondContact O-N 3.13Å; E87-K91 WeakPolarHBondContact O-CB 3.42Å; E87-K91 PolarHBondContact O-N 3.04Å
88	A	76.9	Confident	75.3	Confident	51 Å²	51	63.4 Å²	63.4	42%	0.421	33%	0.334	S	S	.	.	H	α-helix	trans	-67.1	-45.1	176.5	0	0	0	0	0	111.2	E85 R90 K91 A92	E85-A88 HydrophobicContact CB-CB 4.11Å; E85-A88 PolarHBondContact O-N 3.44Å; A88-R90 PolarHBondContact O-N 2.82Å; A88-K91 PolarHBondContact O-N 2.98Å; A88-A92 PolarHBondContact O-N 2.82Å
89	T	76.5	Confident	75.5	Confident	30 Å²	30	69 Å²	69	18%	0.184	36%	0.361	C	S	.	.	H	α-helix	trans	-65.6	-38.2	176.7	-57	0	0	0	0	111.6	V3 V80 S84 E85 W93	V3-T89 HydrophobicContact CG1-CG2 4.33Å; V80-T89 HydrophobicContact CG1-CG2 3.48Å; V80-T89 VanDerWaalsContact CG1-CG2 3.48Å; S84-T89 PolarHBondContact O-OG1 3.45Å; E85-T89 PolarHBondContact O-N 3.38Å; E85-T89 PolarHBondContact O-OG1 3.25Å; T89-W93 VanDerWaalsContact O-CD1 3.29Å; T89-W93 PolarHBondContact O-N 2.95Å; T89-W93 VanDerWaalsContact O-N 3.15Å
90	R	82.3	Confident	75.8	Confident	27 Å²	27	68.2 Å²	68.2	10%	0.102	36%	0.358	C	S	.	.	H	α-helix	trans	-64.7	-42.7	171.6	179.4	-178.8	64.3	175.5	-7.9	111.5	D62 N63 F65 F66 V80 P86 E87 A88 W93 L94	D62-R90 PolarHBondContact O-NH1 3.5Å; N63-R90 PolarHBondContact O-NE 3.29Å; N63-R90 PolarHBondContact OD1-NH2 2.96Å; F65-R90 WeakPolarHBondContact O-CD 3.18Å; F65-R90 PolarHBondContact O-NH1 2.87Å; F66-R90 HydrophobicContact CD1-CG 4.06Å; V80-R90 HydrophobicContact CG2-CB 4.06Å; P86-R90 WeakPolarHBondContact O-CB 3.46Å; P86-R90 PolarHBondContact O-N 3.23Å; E87-R90 PolarHBondContact O-N 3.13Å; A88-R90 PolarHBondContact O-N 2.82Å; R90-W93 PolarHBondContact O-N 3.01Å; R90-L94 HydrophobicContact CG-CD1 3.91Å; R90-L94 HydrophobicContact CG-CG 4.33Å; R90-L94 WeakPolarHBondContact O-CG 3.45Å; R90-L94 PolarHBondContact O-N 3.5Å
91	K	81.5	Confident	76.3	Confident	126 Å²	126	68.6 Å²	68.6	55%	0.548	36%	0.361	S	S	.	.	H	α-helix	trans	-59.6	-51.5	177	177	167.4	175.7	173.1	0	110.6	E87 A88 W93 L94 D95	E87-K91 WeakPolarHBondContact O-CB 3.42Å; E87-K91 PolarHBondContact O-N 3.04Å; A88-K91 PolarHBondContact O-N 2.98Å; K91-W93 PolarHBondContact O-N 2.84Å; K91-W93 VanDerWaalsContact O-N 3.13Å; K91-L94 WeakPolarHBondContact O-CA 3.38Å; K91-L94 WeakPolarHBondContact O-CB 3.19Å; K91-L94 PolarHBondContact O-N 3.15Å; K91-D95 VanDerWaalsContact CE-CG 3.48Å; K91-D95 WeakPolarHBondContact CE-OD1 3.44Å; K91-D95 WeakPolarHBondContact CE-OD2 3.44Å; K91-D95 WeakPolarHBondContact CG-OD1 3.4Å; K91-D95 WeakPolarHBondContact CG-OD2 3.22Å; K91-D95 PolarHBondContact O-N 3Å
92	A	80.1	Confident	76.7	Confident	45 Å²	45	70 Å²	70	37%	0.372	37%	0.374	S	S	.	.	H	α-helix	trans	-57.3	-31.3	177.6	0	0	0	0	0	113.6	A88 A96	A88-A92 PolarHBondContact O-N 2.82Å; A92-A96 VanDerWaalsContact O-CB 3.23Å; A92-A96 WeakPolarHBondContact O-CB 3.35Å; A92-A96 PolarHBondContact O-N 3.38Å; A92-A96 VanDerWaalsContact O-N 3.16Å
93	W	80.4	Confident	77.4	Confident	31 Å²	31	70.1 Å²	70.1	12%	0.117	36%	0.364	C	S	.	.	H	α-helix	trans	-73.3	-35.1	171.8	-91.7	110.4	0	0	0	114.1	V3 V23 V25 F66 T89 R90 K91 L97	V3-W93 HydrophobicContact CB-CZ2 3.89Å; V23-W93 HydrophobicContact CB-CH2 4.01Å; V23-W93 HydrophobicContact CG1-CH2 3.84Å; V23-W93 HydrophobicContact CG1-CZ3 4.19Å; V25-W93 HydrophobicContact CG2-CZ3 3.8Å; F66-W93 HydrophobicContact CE1-CB 4.12Å; F66-W93 HydrophobicContact CZ-CB 4.16Å; T89-W93 VanDerWaalsContact O-CD1 3.29Å; T89-W93 PolarHBondContact O-N 2.95Å; T89-W93 VanDerWaalsContact O-N 3.15Å; R90-W93 PolarHBondContact O-N 3.01Å; K91-W93 PolarHBondContact O-N 2.84Å; K91-W93 VanDerWaalsContact O-N 3.13Å; W93-L97 HydrophobicContact CE3-CD1 4.43Å; W93-L97 HydrophobicContact CE3-CG 4.47Å; W93-L97 VanDerWaalsContact O-CB 3.28Å; W93-L97 WeakPolarHBondContact O-CB 3.41Å; W93-L97 WeakPolarHBondContact O-CD1 3.27Å; W93-L97 WeakPolarHBondContact O-CG 3.49Å; W93-L97 PolarHBondContact O-N 3.3Å; W93-L97 VanDerWaalsContact O-N 3.14Å
94	L	83.2	Confident	78.2	Confident	19 Å²	19	61.1 Å²	61.1	10%	0.099	33%	0.326	C	S	.	.	H	α-helix	trans	-70	-51.7	175.2	-69.3	164.5	0	0	0	110.1	C56 I58 F66 R90 K91 A96 L97 E98	C56-L94 HydrophobicContact CB-CD2 3.44Å; C56-L94 VanDerWaalsContact CB-CD2 3.44Å; I58-L94 HydrophobicContact CD1-CD1 3.58Å; I58-L94 HydrophobicContact CG1-CD1 4.05Å; I58-L94 HydrophobicContact CG1-CD2 4.37Å; F66-L94 HydrophobicContact CB-CD2 3.98Å; F66-L94 HydrophobicContact CD2-CD2 4.09Å; F66-L94 HydrophobicContact CG-CD2 4.05Å; R90-L94 HydrophobicContact CG-CD1 3.91Å; R90-L94 HydrophobicContact CG-CG 4.33Å; R90-L94 WeakPolarHBondContact O-CG 3.45Å; R90-L94 PolarHBondContact O-N 3.5Å; K91-L94 WeakPolarHBondContact O-CA 3.38Å; K91-L94 WeakPolarHBondContact O-CB 3.19Å; K91-L94 PolarHBondContact O-N 3.15Å; L94-A96 VanDerWaalsContact C-N 3.32Å; L94-A96 PolarHBondContact O-N 3.46Å; L94-L97 PolarHBondContact O-N 3.33Å; L94-L97 VanDerWaalsContact O-N 3.09Å; L94-E98 WeakPolarHBondContact O-CB 3.43Å; L94-E98 PolarHBondContact O-N 3.34Å
95	D	82.3	Confident	79	Confident	75 Å²	75	60.2 Å²	60.2	40%	0.401	32%	0.318	S	S	.	.	H	α-helix	trans	-53.8	-48.2	178.4	-59	-6.4	0	0	0	110.5	K91 L97 E98 E99	K91-D95 VanDerWaalsContact CE-CG 3.48Å; K91-D95 WeakPolarHBondContact CE-OD1 3.44Å; K91-D95 WeakPolarHBondContact CE-OD2 3.44Å; K91-D95 WeakPolarHBondContact CG-OD1 3.4Å; K91-D95 WeakPolarHBondContact CG-OD2 3.22Å; K91-D95 PolarHBondContact O-N 3Å; D95-L97 PolarHBondContact O-N 3.02Å; D95-E98 PolarHBondContact O-N 2.83Å; D95-E99 VanDerWaalsContact O-CB 3.3Å; D95-E99 WeakPolarHBondContact O-CB 3.32Å; D95-E99 PolarHBondContact O-N 2.65Å
96	A	80.7	Confident	78.6	Confident	29 Å²	29	58.1 Å²	58.1	24%	0.24	31%	0.308	C	S	.	.	H	α-helix	trans	-71.6	-27.1	178.8	0	0	0	0	0	114.4	A92 L94 H100	A92-A96 VanDerWaalsContact O-CB 3.23Å; A92-A96 WeakPolarHBondContact O-CB 3.35Å; A92-A96 PolarHBondContact O-N 3.38Å; A92-A96 VanDerWaalsContact O-N 3.16Å; L94-A96 VanDerWaalsContact C-N 3.32Å; L94-A96 PolarHBondContact O-N 3.46Å; A96-H100 WeakPolarHBondContact O-CB 3.34Å; A96-H100 PolarHBondContact O-CD2 2.88Å; A96-H100 VanDerWaalsContact O-CD2 3.3Å; A96-H100 PolarHBondContact O-N 3.36Å
97	L	84.7	Confident	77.7	Confident	3 Å²	3	62.8 Å²	62.8	2%	0.016	32%	0.322	C	S	.	.	H	α-helix	trans	-78.3	-30	173.4	-78.1	170.3	0	0	0	112	V25 I30 L51 F66 W93 L94 D95 S101	V25-L97 HydrophobicContact CG2-CD2 3.63Å; I30-L97 HydrophobicContact CD1-CD2 4.2Å; L51-L97 HydrophobicContact CD1-CD2 3.73Å; L51-L97 HydrophobicContact CD2-CD2 3.95Å; F66-L97 HydrophobicContact CD2-CD1 4.49Å; F66-L97 HydrophobicContact CE2-CD1 3.46Å; F66-L97 VanDerWaalsContact CE2-CD1 3.46Å; F66-L97 HydrophobicContact CZ-CD1 3.87Å; W93-L97 HydrophobicContact CE3-CD1 4.43Å; W93-L97 HydrophobicContact CE3-CG 4.47Å; W93-L97 VanDerWaalsContact O-CB 3.28Å; W93-L97 WeakPolarHBondContact O-CB 3.41Å; W93-L97 WeakPolarHBondContact O-CD1 3.27Å; W93-L97 WeakPolarHBondContact O-CG 3.49Å; W93-L97 PolarHBondContact O-N 3.3Å; W93-L97 VanDerWaalsContact O-N 3.14Å; L94-L97 PolarHBondContact O-N 3.33Å; L94-L97 VanDerWaalsContact O-N 3.09Å; D95-L97 PolarHBondContact O-N 3.02Å; L97-S101 WeakPolarHBondContact O-CB 3.48Å; L97-S101 PolarHBondContact O-N 2.93Å
98	E	84.9	Confident	76.6	Confident	142 Å²	142	60.7 Å²	60.7	66%	0.664	32%	0.32	S	S	*	.	H	α-helix	trans	-72.9	-44.3	172.5	-171.3	163.4	-164.1	0	0	110.5	L94 D95 S101 A102	L94-E98 WeakPolarHBondContact O-CB 3.43Å; L94-E98 PolarHBondContact O-N 3.34Å; D95-E98 PolarHBondContact O-N 2.83Å; E98-S101 PolarHBondContact O-N 2.8Å; E98-A102 WeakPolarHBondContact O-CB 3.45Å; E98-A102 PolarHBondContact O-N 3.23Å
99	E	82.2	Confident	75.2	Confident	134 Å²	134	61.7 Å²	61.7	63%	0.626	32%	0.323	S	S	*	.	H	α-helix	trans	-56.7	-53.1	171.4	-179.9	178.4	-155.2	0	0	112.1	D95 S101 A102 Y103	D95-E99 VanDerWaalsContact O-CB 3.3Å; D95-E99 WeakPolarHBondContact O-CB 3.32Å; D95-E99 PolarHBondContact O-N 2.65Å; E99-S101 PolarHBondContact O-N 2.77Å; E99-A102 PolarHBondContact O-N 2.87Å; E99-Y103 WeakPolarHBondContact O-CB 3.44Å; E99-Y103 PolarHBondContact O-N 2.88Å
100	H	82.5	Confident	73.5	Confident	44 Å²	44	63.3 Å²	63.3	20%	0.204	33%	0.329	C	S	.	.	H	α-helix	trans	-74.6	-21.9	178.6	-78.1	-69.6	0	0	0	113.9	V25 L51 A96 S104	V25-H100 HydrophobicContact CG1-CB 3.58Å; V25-H100 WeakPolarHBondContact CG1-CD2 3.32Å; L51-H100 HydrophobicContact CD1-CB 3.77Å; A96-H100 WeakPolarHBondContact O-CB 3.34Å; A96-H100 PolarHBondContact O-CD2 2.88Å; A96-H100 VanDerWaalsContact O-CD2 3.3Å; A96-H100 PolarHBondContact O-N 3.36Å; H100-S104 WeakPolarHBondContact O-CB 3.45Å; H100-S104 PolarHBondContact O-N 2.97Å
101	S	82.3	Confident	71.4	Confident	14 Å²	14	69.9 Å²	69.9	10%	0.098	36%	0.361	C	S	.	.	H	α-helix	trans	-69.6	-44.4	167.8	175.6	0	0	0	0	110.9	L51 A54 L97 E98 E99 S104 T105	L51-S101 PolarHBondContact O-OG 3.22Å; L51-S101 VanDerWaalsContact O-OG 3.04Å; A54-S101 WeakPolarHBondContact O-CB 3.48Å; A54-S101 PolarHBondContact O-OG 3.12Å; L97-S101 WeakPolarHBondContact O-CB 3.48Å; L97-S101 PolarHBondContact O-N 2.93Å; E98-S101 PolarHBondContact O-N 2.8Å; E99-S101 PolarHBondContact O-N 2.77Å; S101-S104 PolarHBondContact O-N 3.49Å; S101-T105 VanDerWaalsContact O-CB 3.23Å; S101-T105 WeakPolarHBondContact O-CB 3.16Å; S101-T105 PolarHBondContact O-N 2.82Å; S101-T105 PolarHBondContact O-OG1 2.87Å
102	A	78	Confident	69.4	Low	59 Å²	59	73.1 Å²	73.1	49%	0.488	38%	0.378	S	S	.	.	H	α-helix	trans	-60.8	-48.4	174.2	0	0	0	0	0	111	E98 E99 T105 H106	E98-A102 WeakPolarHBondContact O-CB 3.45Å; E98-A102 PolarHBondContact O-N 3.23Å; E99-A102 PolarHBondContact O-N 2.87Å; A102-T105 PolarHBondContact O-N 2.9Å; A102-H106 VanDerWaalsContact O-CB 3.25Å; A102-H106 WeakPolarHBondContact O-CB 3.35Å; A102-H106 PolarHBondContact O-N 2.79Å
103	Y	74.8	Confident	67.3	Low	92 Å²	92	72.7 Å²	72.7	36%	0.361	38%	0.378	S	S	.	.	H	α-helix	trans	-53.7	-55.4	172.1	178.6	-88.8	0	0	0	111.7	D27 E99 T105 H106 Y107	D27-Y103 HydrophobicContact CB-CE1 4.48Å; E99-Y103 WeakPolarHBondContact O-CB 3.44Å; E99-Y103 PolarHBondContact O-N 2.88Å; Y103-T105 PolarHBondContact O-N 3.16Å; Y103-H106 PolarHBondContact O-N 3.4Å; Y103-Y107 HydrophobicContact CD1-CD2 4.36Å; Y103-Y107 HydrophobicContact CD2-CD2 4.01Å; Y103-Y107 AromaticContact CD2-CE2 3.7Å; Y103-Y107 HydrophobicContact CD2-CE2 3.7Å; Y103-Y107 HydrophobicContact CE1-CD2 4.23Å; Y103-Y107 HydrophobicContact CE1-CE2 4.43Å; Y103-Y107 AromaticContact CE2-CD2 3.87Å; Y103-Y107 HydrophobicContact CE2-CD2 3.87Å; Y103-Y107 AromaticContact CE2-CE2 3.31Å; Y103-Y107 HydrophobicContact CE2-CE2 3.31Å; Y103-Y107 AromaticContact CE2-CZ 3.9Å; Y103-Y107 HydrophobicContact CG-CD2 4.24Å; Y103-Y107 HydrophobicContact CG-CE2 4.39Å; Y103-Y107 AromaticContact CZ-CD2 3.97Å; Y103-Y107 AromaticContact CZ-CE2 3.72Å; Y103-Y107 WeakPolarHBondContact O-CD2 3.25Å; Y103-Y107 PolarHBondContact O-N 2.75Å
104	S	73.9	Confident	65.1	Low	9 Å²	9	75.8 Å²	75.8	6%	0.063	40%	0.404	C	S	.	.	H	α-helix	trans	-62.5	-31.1	-178.8	-167.3	0	0	0	0	113.2	S50 T52 H100 S101 C108	S50-S104 PolarHBondContact OG-OG 3.24Å; S50-S104 VanDerWaalsContact OG-OG 3.13Å; T52-S104 PolarHBondContact N-OG 3.16Å; T52-S104 VanDerWaalsContact N-OG 3.1Å; T52-S104 PolarHBondContact OG1-OG 2.79Å; H100-S104 WeakPolarHBondContact O-CB 3.45Å; H100-S104 PolarHBondContact O-N 2.97Å; S101-S104 PolarHBondContact O-N 3.49Å; S104-C108 VanDerWaalsContact O-CB 3.24Å; S104-C108 WeakPolarHBondContact O-CB 3.18Å; S104-C108 PolarHBondContact O-N 3.44Å; S104-C108 PolarHBondContact O-SG 2.89Å
105	T	73.4	Confident	62.8	Low	36 Å²	36	84.4 Å²	84.4	22%	0.221	44%	0.444	C	S	.	.	H	α-helix	trans	-80	-37.3	177.7	-52.3	0	0	0	0	111.5	N53 S101 A102 Y103 S109	N53-T105 PolarHBondContact N-OG1 2.81Å; N53-T105 WeakPolarHBondContact OD1-CG2 3.25Å; S101-T105 VanDerWaalsContact O-CB 3.23Å; S101-T105 WeakPolarHBondContact O-CB 3.16Å; S101-T105 PolarHBondContact O-N 2.82Å; S101-T105 PolarHBondContact O-OG1 2.87Å; A102-T105 PolarHBondContact O-N 2.9Å; Y103-T105 PolarHBondContact O-N 3.16Å; T105-S109 WeakPolarHBondContact O-CB 3.41Å; T105-S109 PolarHBondContact O-N 2.98Å; T105-S109 PolarHBondContact O-OG 3.47Å; T105-S109 VanDerWaalsContact O-OG 3.09Å
106	H	63.5	Low	60.7	Low	110 Å²	110	87.4 Å²	87.4	51%	0.509	46%	0.456	S	S	.	.	H	α-helix	trans	-61.3	-55.6	175.3	-166.8	-85.3	0	0	0	110.4	A102 Y103 C108 S109 Q110	A102-H106 VanDerWaalsContact O-CB 3.25Å; A102-H106 WeakPolarHBondContact O-CB 3.35Å; A102-H106 PolarHBondContact O-N 2.79Å; Y103-H106 PolarHBondContact O-N 3.4Å; H106-C108 PolarHBondContact O-N 3.24Å; H106-S109 CarbonylContact O-C 3.54Å; H106-S109 WeakPolarHBondContact O-CA 3.43Å; H106-S109 PolarHBondContact O-N 2.82Å; H106-S109 PolarHBondContact O-OG 3.1Å; H106-Q110 PolarHBondContact CE1-OE1 2.8Å; H106-Q110 PolarHBondContact ND1-OE1 3.03Å; H106-Q110 PolarHBondContact O-N 2.88Å
107	Y	51.8	Low	58.6	Low	129 Å²	129	94.8 Å²	94.8	51%	0.506	49%	0.485	S	S	.	.	H	α-helix	trans	-62.3	-44.1	179	-81.8	-100.5	0	0	0	112.2	Y103 S109 Q110 E111	Y103-Y107 HydrophobicContact CD1-CD2 4.36Å; Y103-Y107 HydrophobicContact CD2-CD2 4.01Å; Y103-Y107 AromaticContact CD2-CE2 3.7Å; Y103-Y107 HydrophobicContact CD2-CE2 3.7Å; Y103-Y107 HydrophobicContact CE1-CD2 4.23Å; Y103-Y107 HydrophobicContact CE1-CE2 4.43Å; Y103-Y107 AromaticContact CE2-CD2 3.87Å; Y103-Y107 HydrophobicContact CE2-CD2 3.87Å; Y103-Y107 AromaticContact CE2-CE2 3.31Å; Y103-Y107 HydrophobicContact CE2-CE2 3.31Å; Y103-Y107 AromaticContact CE2-CZ 3.9Å; Y103-Y107 HydrophobicContact CG-CD2 4.24Å; Y103-Y107 HydrophobicContact CG-CE2 4.39Å; Y103-Y107 AromaticContact CZ-CD2 3.97Å; Y103-Y107 AromaticContact CZ-CE2 3.72Å; Y103-Y107 WeakPolarHBondContact O-CD2 3.25Å; Y103-Y107 PolarHBondContact O-N 2.75Å; Y107-S109 PolarHBondContact O-N 2.86Å; Y107-S109 VanDerWaalsContact O-N 3.13Å; Y107-Q110 PolarHBondContact O-N 2.82Å; Y107-Q110 VanDerWaalsContact O-N 3.1Å; Y107-E111 PolarHBondContact O-N 2.85Å
108	C	52.3	Low	56.2	Low	70 Å²	70	104.2 Å²	104.2	47%	0.473	53%	0.529	S	S	.	.	H	α-helix	trans	-68.7	-5.9	172.9	-68.6	0	0	0	0	114.6	T52 S104 H106	T52-C108 HydrophobicContact CG2-CB 3.72Å; T52-C108 PolarHBondContact OG1-SG 3.43Å; S104-C108 VanDerWaalsContact O-CB 3.24Å; S104-C108 WeakPolarHBondContact O-CB 3.18Å; S104-C108 PolarHBondContact O-N 3.44Å; S104-C108 PolarHBondContact O-SG 2.89Å; H106-C108 PolarHBondContact O-N 3.24Å
109	S	47.2	Very low	53.8	Low	71 Å²	71	106.5 Å²	106.5	50%	0.497	54%	0.54	S	S	.	.	H	α-helix	trans	-102.3	-20.6	168.6	67.5	0	0	0	0	113.3	T105 H106 Y107 E111 Q112	T105-S109 WeakPolarHBondContact O-CB 3.41Å; T105-S109 PolarHBondContact O-N 2.98Å; T105-S109 PolarHBondContact O-OG 3.47Å; T105-S109 VanDerWaalsContact O-OG 3.09Å; H106-S109 CarbonylContact O-C 3.54Å; H106-S109 WeakPolarHBondContact O-CA 3.43Å; H106-S109 PolarHBondContact O-N 2.82Å; H106-S109 PolarHBondContact O-OG 3.1Å; Y107-S109 PolarHBondContact O-N 2.86Å; Y107-S109 VanDerWaalsContact O-N 3.13Å; S109-E111 VanDerWaalsContact C-N 3.29Å; S109-Q112 PolarHBondContact O-N 2.85Å
110	Q	40.8	Very low	51.7	Low	64 Å²	64	110 Å²	110	30%	0.299	56%	0.556	S	S	.	*	H	α-helix	trans	-75.2	-11.1	170.6	-78.4	-177.6	-82	0	0	113.6	H106 Y107 Q112 G113	H106-Q110 PolarHBondContact CE1-OE1 2.8Å; H106-Q110 PolarHBondContact ND1-OE1 3.03Å; H106-Q110 PolarHBondContact O-N 2.88Å; Y107-Q110 PolarHBondContact O-N 2.82Å; Y107-Q110 VanDerWaalsContact O-N 3.1Å; Q110-Q112 PolarHBondContact O-N 3.11Å; Q110-G113 CarbonylContact O-C 3.34Å; Q110-G113 PolarHBondContact O-N 3.05Å
111	E	38.3	Very low	49.6	Very low	166 Å²	166	116.7 Å²	116.7	78%	0.776	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64	3.6	162.5	-71.5	-168.3	150.7	0	0	113.3	Y107 S109	Y107-E111 PolarHBondContact O-N 2.85Å; S109-E111 VanDerWaalsContact C-N 3.29Å
112	Q	40.9	Very low	47.7	Very low	193 Å²	193	125.9 Å²	125.9	90%	0.902	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.9	5.2	163.1	-64.5	-161	-31.4	0	0	114.8	S109 Q110	S109-Q112 PolarHBondContact O-N 2.85Å; Q110-Q112 PolarHBondContact O-N 3.11Å
113	G	35.3	Very low	45.9	Very low	37 Å²	37	125.6 Å²	125.6	38%	0.381	63%	0.632	S	S	.	*	S	Bend	trans	180	122	175.5	0	0	0	0	0	115.7	Q110	Q110-G113 CarbonylContact O-C 3.34Å; Q110-G113 PolarHBondContact O-N 3.05Å
114	S	34.5	Very low	44.8	Very low	95 Å²	95	126.3 Å²	126.3	66%	0.664	64%	0.64	S	S	*	*			trans	53.1	111	161.1	53.5	0	0	0	0	118.7	E116	S114-E116 PolarHBondContact O-N 2.75Å
115	E	35	Very low	43.7	Very low	201 Å²	201	128.3 Å²	128.3	94%	0.939	65%	0.654	S	S	*	*			trans	-84.5	91.2	158.2	-69.5	-174.3	139.4	0	0	110.7
116	E	38.1	Very low	42.7	Very low	138 Å²	138	130.3 Å²	130.3	65%	0.645	66%	0.663	S	S	*	*			trans	-131.7	145.3	154.6	-64.4	178.1	-167.7	0	0	104.5	S114	S114-E116 PolarHBondContact O-N 2.75Å
117	E	36.3	Very low	42.6	Very low	183 Å²	183	127.2 Å²	127.2	86%	0.855	66%	0.66	S	S	*	*			cis	-140.9	147.8	31.8	-55.1	155.7	167.4	0	0	110.8
118	E	34.4	Very low	43.2	Very low	201 Å²	201	126.2 Å²	126.2	94%	0.939	66%	0.66	S	S	*	*	S	Bend	trans	-164.7	51	134.7	-130.9	-177.3	-127.2	0	0	113.4
119	E	33.7	Very low	43.8	Very low	191 Å²	191	125.9 Å²	125.9	89%	0.893	65%	0.653	S	S	*	*	S	Bend	trans	-148.5	127.5	157.1	-125	171.6	-144.8	0	0	109.1	E121	E119-E121 PolarHBondContact O-N 3Å
120	E	38.5	Very low	44.8	Very low	208 Å²	208	125.2 Å²	125.2	97%	0.972	65%	0.646	S	S	*	*			trans	-79	73.1	-173.7	-70.2	-174.7	140.2	0	0	112.8
121	E	38.5	Very low	46.5	Very low	184 Å²	184	127.2 Å²	127.2	86%	0.86	66%	0.659	S	S	*	*	S	Bend	trans	-119.6	141.2	151.7	-71.6	-160.6	147.6	0	0	109.5	E119 G123	E119-E121 PolarHBondContact O-N 3Å; E121-G123 PolarHBondContact O-N 2.85Å
122	E	42.3	Very low	48.2	Very low	206 Å²	206	122 Å²	122	96%	0.963	64%	0.641	S	S	*	*			trans	-71.4	77.8	177.6	-68.4	-179.1	134.2	0	0	110.6	M124	E122-M124 PolarHBondContact O-N 2.99Å
123	G	41.3	Very low	50	Low	53 Å²	53	114 Å²	114	55%	0.546	60%	0.604	S	S	.	*			trans	-65.8	114.8	176.7	0	0	0	0	0	111.7	E121 S125	E121-G123 PolarHBondContact O-N 2.85Å; G123-S125 PolarHBondContact O-N 2.89Å
124	M	51.4	Low	52.2	Low	107 Å²	107	117.9 Å²	117.9	53%	0.527	61%	0.612	S	S	.	*			trans	-67.2	128.9	166.6	-61.8	-178	69.1	0	0	108.8	E122 E128 S132	E122-M124 PolarHBondContact O-N 2.99Å; M124-E128 HydrophobicContact CE-CB 4.34Å; M124-S132 VanDerWaalsContact CE-OG 3.32Å; M124-S132 WeakPolarHBondContact CE-OG 3.4Å
125	S	51	Low	54.4	Low	52 Å²	52	116 Å²	116	36%	0.364	60%	0.602	S	S	.	*			trans	-61.6	154.6	179.4	71.3	0	0	0	0	110.8	G123 G127 E128 L129	G123-S125 PolarHBondContact O-N 2.89Å; S125-G127 PolarHBondContact O-N 2.81Å; S125-G127 VanDerWaalsContact O-N 3.11Å; S125-E128 VanDerWaalsContact CB-OE2 3.28Å; S125-E128 WeakPolarHBondContact CB-OE2 3.31Å; S125-E128 PolarHBondContact N-OE2 3.2Å; S125-E128 VanDerWaalsContact N-OE2 3.07Å; S125-E128 PolarHBondContact O-N 2.95Å; S125-E128 VanDerWaalsContact OG-CD 3.26Å; S125-E128 WeakPolarHBondContact OG-CG 3.21Å; S125-E128 PolarHBondContact OG-OE2 2.67Å; S125-L129 PolarHBondContact O-N 2.83Å
126	L	52.3	Low	56.6	Low	78 Å²	78	108.2 Å²	108.2	41%	0.408	57%	0.573	S	S	.	*	H	α-helix	trans	-55.1	-38.8	-171.8	-169	69.7	0	0	0	112.6	L129 T130 L203	L126-L129 PolarHBondContact O-N 3.38Å; L126-T130 PolarHBondContact O-N 3.29Å; L126-T130 PolarHBondContact O-OG1 3.35Å; L126-T130 VanDerWaalsContact O-OG1 3.04Å; L126-L203 HydrophobicContact CD2-CD2 3.96Å
127	G	60.2	Low	58.7	Low	44 Å²	44	104 Å²	104	45%	0.454	55%	0.553	S	S	.	*	H	α-helix	trans	-66.8	-42.7	175.9	0	0	0	0	0	113.3	S125 L129 T130 D131	S125-G127 PolarHBondContact O-N 2.81Å; S125-G127 VanDerWaalsContact O-N 3.11Å; G127-L129 VanDerWaalsContact C-N 3.27Å; G127-L129 PolarHBondContact O-N 3.23Å; G127-T130 PolarHBondContact O-N 3.17Å; G127-D131 WeakPolarHBondContact O-CB 3.43Å; G127-D131 PolarHBondContact O-N 3.07Å
128	E	65.5	Low	61	Low	108 Å²	108	99.8 Å²	99.8	51%	0.505	54%	0.539	S	S	.	.	H	α-helix	trans	-65.7	-32.1	176	-67.7	167.7	129.9	0	0	112	M124 S125 S132	M124-E128 HydrophobicContact CE-CB 4.34Å; S125-E128 VanDerWaalsContact CB-OE2 3.28Å; S125-E128 WeakPolarHBondContact CB-OE2 3.31Å; S125-E128 PolarHBondContact N-OE2 3.2Å; S125-E128 VanDerWaalsContact N-OE2 3.07Å; S125-E128 PolarHBondContact O-N 2.95Å; S125-E128 VanDerWaalsContact OG-CD 3.26Å; S125-E128 WeakPolarHBondContact OG-CG 3.21Å; S125-E128 PolarHBondContact OG-OE2 2.67Å; E128-S132 WeakPolarHBondContact O-CB 3.3Å; E128-S132 PolarHBondContact O-N 3.45Å; E128-S132 PolarHBondContact O-OG 3.41Å
129	L	64.5	Low	63.3	Low	63 Å²	63	93.9 Å²	93.9	33%	0.33	52%	0.52	S	S	.	.	H	α-helix	trans	-69	-46.9	173.6	-171.2	68.4	0	0	0	111.5	S125 L126 G127 S132 L133	S125-L129 PolarHBondContact O-N 2.83Å; L126-L129 PolarHBondContact O-N 3.38Å; G127-L129 VanDerWaalsContact C-N 3.27Å; G127-L129 PolarHBondContact O-N 3.23Å; L129-S132 PolarHBondContact O-N 2.87Å; L129-L133 WeakPolarHBondContact O-CB 3.01Å; L129-L133 PolarHBondContact O-N 3.3Å
130	T	68.6	Low	65.8	Low	57 Å²	57	85.4 Å²	85.4	35%	0.35	48%	0.481	S	S	.	.	H	α-helix	trans	-60.8	-48.2	175.5	-56.9	0	0	0	0	111.5	L126 G127 S132 L133 Q134 E196	L126-T130 PolarHBondContact O-N 3.29Å; L126-T130 PolarHBondContact O-OG1 3.35Å; L126-T130 VanDerWaalsContact O-OG1 3.04Å; G127-T130 PolarHBondContact O-N 3.17Å; T130-S132 VanDerWaalsContact C-N 3.31Å; T130-S132 PolarHBondContact O-N 3.31Å; T130-L133 PolarHBondContact O-N 2.76Å; T130-Q134 WeakPolarHBondContact O-CB 3.44Å; T130-Q134 PolarHBondContact O-N 2.73Å; T130-E196 VanDerWaalsContact CA-OE1 3.3Å; T130-E196 WeakPolarHBondContact CA-OE1 3.46Å; T130-E196 WeakPolarHBondContact CB-OE1 3.4Å; T130-E196 PolarHBondContact N-OE1 3.24Å; T130-E196 PolarHBondContact OG1-OE1 3.21Å
131	D	75.4	Confident	67.9	Low	107 Å²	107	80.2 Å²	80.2	57%	0.572	46%	0.455	S	S	*	.	H	α-helix	trans	-60.9	-40.7	177.7	-82.8	-11.5	0	0	0	111.3	G127 Q134 A135	G127-D131 WeakPolarHBondContact O-CB 3.43Å; G127-D131 PolarHBondContact O-N 3.07Å; D131-Q134 PolarHBondContact O-N 3.4Å; D131-A135 VanDerWaalsContact O-CB 3.3Å; D131-A135 WeakPolarHBondContact O-CB 3.26Å; D131-A135 PolarHBondContact O-N 3.01Å
132	S	74.9	Confident	70.2	Confident	55 Å²	55	77.3 Å²	77.3	39%	0.385	44%	0.44	S	S	.	.	H	α-helix	trans	-67.7	-39.1	177.3	-64.7	0	0	0	0	112.4	M124 E128 L129 T130 A135 A136	M124-S132 VanDerWaalsContact CE-OG 3.32Å; M124-S132 WeakPolarHBondContact CE-OG 3.4Å; E128-S132 WeakPolarHBondContact O-CB 3.3Å; E128-S132 PolarHBondContact O-N 3.45Å; E128-S132 PolarHBondContact O-OG 3.41Å; L129-S132 PolarHBondContact O-N 2.87Å; T130-S132 VanDerWaalsContact C-N 3.31Å; T130-S132 PolarHBondContact O-N 3.31Å; S132-A135 PolarHBondContact O-N 3.25Å; S132-A136 WeakPolarHBondContact O-CB 3.48Å; S132-A136 PolarHBondContact O-N 2.89Å
133	L	78.9	Confident	72.2	Confident	25 Å²	25	71.3 Å²	71.3	13%	0.131	41%	0.414	C	S	.	.	H	α-helix	trans	-66.5	-43.6	175.5	-170.8	71.4	0	0	0	110.8	L129 T130 A135 A136 E137 L189 F192 E196	L129-L133 WeakPolarHBondContact O-CB 3.01Å; L129-L133 PolarHBondContact O-N 3.3Å; T130-L133 PolarHBondContact O-N 2.76Å; L133-A135 PolarHBondContact O-N 2.88Å; L133-A136 WeakPolarHBondContact O-CB 3.37Å; L133-A136 PolarHBondContact O-N 3.47Å; L133-E137 PolarHBondContact O-N 2.9Å; L133-L189 HydrophobicContact CD1-CD2 3.59Å; L133-F192 HydrophobicContact CD1-CB 3.91Å; L133-F192 HydrophobicContact CD2-CB 4.45Å; L133-E196 VanDerWaalsContact CD2-OE2 3.24Å; L133-E196 WeakPolarHBondContact CD2-OE2 3.39Å
134	Q	80.1	Confident	74.2	Confident	120 Å²	120	72.1 Å²	72.1	56%	0.561	40%	0.403	S	S	*	.	H	α-helix	trans	-62.9	-41.6	175.5	-171.3	175.9	3.1	0	0	111.7	T130 D131 A136 E137 V138	T130-Q134 WeakPolarHBondContact O-CB 3.44Å; T130-Q134 PolarHBondContact O-N 2.73Å; D131-Q134 PolarHBondContact O-N 3.4Å; Q134-A136 VanDerWaalsContact C-N 3.35Å; Q134-E137 PolarHBondContact O-N 3.31Å; Q134-V138 WeakPolarHBondContact O-CG2 3.3Å; Q134-V138 PolarHBondContact O-N 3.28Å
135	A	82.3	Confident	75.9	Confident	55 Å²	55	73.5 Å²	73.5	46%	0.455	41%	0.408	S	S	.	.	H	α-helix	trans	-64.3	-37.5	174.1	0	0	0	0	0	112.5	D131 S132 L133 S139	D131-A135 VanDerWaalsContact O-CB 3.3Å; D131-A135 WeakPolarHBondContact O-CB 3.26Å; D131-A135 PolarHBondContact O-N 3.01Å; S132-A135 PolarHBondContact O-N 3.25Å; L133-A135 PolarHBondContact O-N 2.88Å; A135-S139 WeakPolarHBondContact O-CB 3.38Å; A135-S139 PolarHBondContact O-N 2.92Å; A135-S139 PolarHBondContact O-OG 2.79Å
136	A	79.8	Confident	77.5	Confident	38 Å²	38	76.4 Å²	76.4	31%	0.314	42%	0.416	S	S	.	.	H	α-helix	trans	-66.7	-42.9	174.6	0	0	0	0	0	112	S132 L133 Q134 S139 Q140 L189	S132-A136 WeakPolarHBondContact O-CB 3.48Å; S132-A136 PolarHBondContact O-N 2.89Å; L133-A136 WeakPolarHBondContact O-CB 3.37Å; L133-A136 PolarHBondContact O-N 3.47Å; Q134-A136 VanDerWaalsContact C-N 3.35Å; A136-S139 PolarHBondContact O-N 2.81Å; A136-Q140 WeakPolarHBondContact O-CB 3.45Å; A136-Q140 PolarHBondContact O-N 2.79Å; A136-L189 HydrophobicContact CB-CD1 4.44Å; A136-L189 HydrophobicContact CB-CD2 3.77Å
137	E	82.1	Confident	79.1	Confident	50 Å²	50	73.5 Å²	73.5	23%	0.234	40%	0.401	C	S	.	.	H	α-helix	trans	-61	-46.2	173.6	-79.2	-161.4	-167.9	0	0	112.9	L133 Q134 S139 Q140 K141 L189	L133-E137 PolarHBondContact O-N 2.9Å; Q134-E137 PolarHBondContact O-N 3.31Å; E137-S139 VanDerWaalsContact C-N 3.26Å; E137-S139 PolarHBondContact O-N 2.86Å; E137-Q140 PolarHBondContact O-N 2.85Å; E137-K141 WeakPolarHBondContact O-CB 3.31Å; E137-K141 WeakPolarHBondContact O-CD 3.29Å; E137-K141 VanDerWaalsContact O-CG 3.32Å; E137-K141 WeakPolarHBondContact O-CG 3.34Å; E137-K141 PolarHBondContact O-N 3.3Å; E137-K141 IonicContact OE2-NZ 3.9Å; E137-K141 PolarHBondContact OE2-NZ 2.99Å; E137-L189 HydrophobicContact CG-CB 4.31Å; E137-L189 HydrophobicContact CG-CD1 4.29Å
138	V	85.8	Confident	80.2	Confident	93 Å²	93	73.9 Å²	73.9	56%	0.564	40%	0.401	S	S	*	.	H	α-helix	trans	-61.6	-39.2	177.5	170	0	0	0	0	110.7	Q134 K142	Q134-V138 WeakPolarHBondContact O-CG2 3.3Å; Q134-V138 PolarHBondContact O-N 3.28Å; V138-K142 WeakPolarHBondContact O-CB 3.48Å; V138-K142 PolarHBondContact O-N 3.25Å; V138-K142 VanDerWaalsContact O-N 3.13Å
139	S	81.5	Confident	81.1	Confident	78 Å²	78	71.1 Å²	71.1	55%	0.545	40%	0.396	S	S	.	.	H	α-helix	trans	-68.6	-40.4	176.9	-58.9	0	0	0	0	112.6	A135 A136 E137 K142 L143	A135-S139 WeakPolarHBondContact O-CB 3.38Å; A135-S139 PolarHBondContact O-N 2.92Å; A135-S139 PolarHBondContact O-OG 2.79Å; A136-S139 PolarHBondContact O-N 2.81Å; E137-S139 VanDerWaalsContact C-N 3.26Å; E137-S139 PolarHBondContact O-N 2.86Å; S139-K142 PolarHBondContact O-N 2.65Å; S139-L143 PolarHBondContact O-N 2.96Å
140	Q	86.1	Confident	82	Confident	12 Å²	12	72.3 Å²	72.3	6%	0.056	40%	0.399	C	S	.	.	H	α-helix	trans	-67	-46	177.4	-179.5	-83	-14.6	0	0	111.3	A136 E137 K142 L143 E144 A182 L185 L189	A136-Q140 WeakPolarHBondContact O-CB 3.45Å; A136-Q140 PolarHBondContact O-N 2.79Å; E137-Q140 PolarHBondContact O-N 2.85Å; Q140-K142 VanDerWaalsContact C-N 3.28Å; Q140-K142 PolarHBondContact O-N 2.95Å; Q140-L143 WeakPolarHBondContact O-CB 3.37Å; Q140-L143 PolarHBondContact O-N 2.9Å; Q140-L143 VanDerWaalsContact O-N 3.08Å; Q140-E144 PolarHBondContact NE2-OE1 2.94Å; Q140-E144 PolarHBondContact NE2-OE2 3.05Å; Q140-E144 PolarHBondContact O-N 3.38Å; Q140-A182 PolarHBondContact NE2-O 3.07Å; Q140-L185 HydrophobicContact CB-CD2 4.14Å; Q140-L185 HydrophobicContact CB-CG 4.47Å; Q140-L185 HydrophobicContact CG-CB 4.24Å; Q140-L185 HydrophobicContact CG-CD2 4Å; Q140-L185 HydrophobicContact CG-CG 4.02Å; Q140-L189 HydrophobicContact CB-CD1 3.78Å; Q140-L189 HydrophobicContact CG-CD1 4.03Å
141	K	84.4	Confident	82.5	Confident	99 Å²	99	70.6 Å²	70.6	43%	0.43	39%	0.388	S	S	.	.	H	α-helix	trans	-60.3	-37.5	176.1	-73.3	161.5	-178	161.1	0	111.6	E137 Q145	E137-K141 WeakPolarHBondContact O-CB 3.31Å; E137-K141 WeakPolarHBondContact O-CD 3.29Å; E137-K141 VanDerWaalsContact O-CG 3.32Å; E137-K141 WeakPolarHBondContact O-CG 3.34Å; E137-K141 PolarHBondContact O-N 3.3Å; E137-K141 IonicContact OE2-NZ 3.9Å; E137-K141 PolarHBondContact OE2-NZ 2.99Å; K141-Q145 WeakPolarHBondContact O-CG 3.37Å; K141-Q145 PolarHBondContact O-N 2.89Å
142	K	86.1	Confident	82.7	Confident	124 Å²	124	69.1 Å²	69.1	54%	0.539	39%	0.385	S	S	.	.	H	α-helix	trans	-67.9	-42.1	173.2	-172	176.6	-179.9	-177.9	0	112.2	V138 S139 Q140 E144 Q145 E146	V138-K142 WeakPolarHBondContact O-CB 3.48Å; V138-K142 PolarHBondContact O-N 3.25Å; V138-K142 VanDerWaalsContact O-N 3.13Å; S139-K142 PolarHBondContact O-N 2.65Å; Q140-K142 VanDerWaalsContact C-N 3.28Å; Q140-K142 PolarHBondContact O-N 2.95Å; K142-E144 VanDerWaalsContact C-N 3.33Å; K142-E144 PolarHBondContact O-N 2.9Å; K142-Q145 PolarHBondContact O-N 2.92Å; K142-E146 HydrophobicContact CG-CG 4.36Å; K142-E146 WeakPolarHBondContact O-CG 3.3Å; K142-E146 PolarHBondContact O-N 2.87Å
143	L	83.3	Confident	82.9	Confident	80 Å²	80	72.3 Å²	72.3	42%	0.419	40%	0.396	S	S	.	.	H	α-helix	trans	-60.3	-41.9	176.7	-179.9	62.8	0	0	0	111.7	S139 Q140 Q145 E146 V147 A182	S139-L143 PolarHBondContact O-N 2.96Å; Q140-L143 WeakPolarHBondContact O-CB 3.37Å; Q140-L143 PolarHBondContact O-N 2.9Å; Q140-L143 VanDerWaalsContact O-N 3.08Å; L143-Q145 PolarHBondContact O-N 3.3Å; L143-E146 PolarHBondContact O-N 3.38Å; L143-V147 HydrophobicContact CD1-CG2 4.08Å; L143-V147 HydrophobicContact CG-CG2 4.44Å; L143-V147 WeakPolarHBondContact O-CB 3.21Å; L143-V147 VanDerWaalsContact O-CG2 3.25Å; L143-V147 WeakPolarHBondContact O-CG2 3.18Å; L143-V147 PolarHBondContact O-N 3.42Å; L143-A182 HydrophobicContact CD2-CB 4.08Å; L143-A182 HydrophobicContact CG-CB 4.21Å
144	E	84.3	Confident	82.6	Confident	70 Å²	70	72.5 Å²	72.5	33%	0.327	40%	0.397	S	S	.	.	H	α-helix	trans	-61.2	-42.2	174.6	-71.1	-172.1	143.3	0	0	112.4	Q140 K142 A148 A182	Q140-E144 PolarHBondContact NE2-OE1 2.94Å; Q140-E144 PolarHBondContact NE2-OE2 3.05Å; Q140-E144 PolarHBondContact O-N 3.38Å; K142-E144 VanDerWaalsContact C-N 3.33Å; K142-E144 PolarHBondContact O-N 2.9Å; E144-A148 WeakPolarHBondContact O-CB 3.44Å; E144-A148 PolarHBondContact O-N 2.89Å; E144-A182 HydrophobicContact CG-CB 3.7Å
145	Q	86.3	Confident	82.1	Confident	136 Å²	136	75.2 Å²	75.2	64%	0.636	40%	0.402	S	S	*	.	H	α-helix	trans	-63.1	-47.2	177.4	-72	171.2	5.8	0	0	112.5	K141 K142 L143 A148 A149	K141-Q145 WeakPolarHBondContact O-CG 3.37Å; K141-Q145 PolarHBondContact O-N 2.89Å; K142-Q145 PolarHBondContact O-N 2.92Å; L143-Q145 PolarHBondContact O-N 3.3Å; Q145-A148 PolarHBondContact O-N 2.93Å; Q145-A149 WeakPolarHBondContact O-CB 3.47Å; Q145-A149 PolarHBondContact O-N 2.89Å
146	E	85	Confident	81.5	Confident	113 Å²	113	78.1 Å²	78.1	53%	0.528	41%	0.41	S	S	.	.	H	α-helix	trans	-66.4	-40.5	179.5	-61.6	-74.3	-177.5	0	0	111.4	K142 L143 A149 F150	K142-E146 HydrophobicContact CG-CG 4.36Å; K142-E146 WeakPolarHBondContact O-CG 3.3Å; K142-E146 PolarHBondContact O-N 2.87Å; L143-E146 PolarHBondContact O-N 3.38Å; E146-A149 PolarHBondContact O-N 3.47Å; E146-F150 WeakPolarHBondContact O-CB 3.46Å; E146-F150 PolarHBondContact O-N 2.9Å
147	V	85.6	Confident	80.5	Confident	16 Å²	16	83.1 Å²	83.1	10%	0.097	43%	0.431	C	S	.	.	H	α-helix	trans	-66.1	-41.3	175.5	171.6	0	0	0	0	111.3	L143 F150 L151	L143-V147 HydrophobicContact CD1-CG2 4.08Å; L143-V147 HydrophobicContact CG-CG2 4.44Å; L143-V147 WeakPolarHBondContact O-CB 3.21Å; L143-V147 VanDerWaalsContact O-CG2 3.25Å; L143-V147 WeakPolarHBondContact O-CG2 3.18Å; L143-V147 PolarHBondContact O-N 3.42Å; V147-F150 PolarHBondContact O-N 2.76Å; V147-L151 HydrophobicContact CG1-CD1 4.03Å; V147-L151 WeakPolarHBondContact O-CB 3.43Å; V147-L151 WeakPolarHBondContact O-CG 3.39Å; V147-L151 PolarHBondContact O-N 2.97Å
148	A	83.8	Confident	79.5	Confident	53 Å²	53	83 Å²	83	44%	0.438	44%	0.443	S	S	.	.	H	α-helix	trans	-65.6	-40.1	176	0	0	0	0	0	112.4	E144 Q145 S152	E144-A148 WeakPolarHBondContact O-CB 3.44Å; E144-A148 PolarHBondContact O-N 2.89Å; Q145-A148 PolarHBondContact O-N 2.93Å; A148-S152 PolarHBondContact O-N 2.94Å
149	A	84.6	Confident	78.3	Confident	50 Å²	50	80.8 Å²	80.8	41%	0.413	43%	0.428	S	S	.	.	H	α-helix	trans	-63.5	-45.9	174.5	0	0	0	0	0	111.5	Q145 E146 S152 M153	Q145-A149 WeakPolarHBondContact O-CB 3.47Å; Q145-A149 PolarHBondContact O-N 2.89Å; E146-A149 PolarHBondContact O-N 3.47Å; A149-S152 WeakPolarHBondContact O-CA 3.22Å; A149-S152 VanDerWaalsContact O-CB 3.29Å; A149-S152 WeakPolarHBondContact O-CB 3.24Å; A149-S152 PolarHBondContact O-N 2.83Å; A149-M153 WeakPolarHBondContact O-CG 3.2Å; A149-M153 PolarHBondContact O-N 2.83Å
150	F	82.3	Confident	77.3	Confident	87 Å²	87	80.7 Å²	80.7	38%	0.382	43%	0.427	S	S	.	.	H	α-helix	trans	-66.6	-38.6	178.4	-171.1	-132.9	0	0	0	112.4	E146 V147 S152 M153 L154 M171 C175	E146-F150 WeakPolarHBondContact O-CB 3.46Å; E146-F150 PolarHBondContact O-N 2.9Å; V147-F150 PolarHBondContact O-N 2.76Å; F150-S152 VanDerWaalsContact C-N 3.27Å; F150-S152 PolarHBondContact O-N 3.15Å; F150-M153 PolarHBondContact O-N 3.31Å; F150-L154 HydrophobicContact CD1-CD1 4.39Å; F150-L154 HydrophobicContact CE1-CD1 4.17Å; F150-L154 HydrophobicContact CZ-CD1 4.31Å; F150-L154 PolarHBondContact O-N 2.77Å; F150-M171 HydrophobicContact CE2-CE 4.26Å; F150-M171 HydrophobicContact CZ-CE 3.76Å; F150-C175 WeakPolarHBondContact CD1-SG 3.26Å; F150-C175 WeakPolarHBondContact CE1-SG 3.49Å
151	L	79.5	Confident	76.1	Confident	22 Å²	22	88.8 Å²	88.8	12%	0.115	47%	0.465	C	S	.	.	H	α-helix	trans	-61.8	-31.5	167.9	-81.6	168.7	0	0	0	112.9	V147 R155 C175	V147-L151 HydrophobicContact CG1-CD1 4.03Å; V147-L151 WeakPolarHBondContact O-CB 3.43Å; V147-L151 WeakPolarHBondContact O-CG 3.39Å; V147-L151 PolarHBondContact O-N 2.97Å; L151-R155 WeakPolarHBondContact O-CG 3.14Å; L151-R155 PolarHBondContact O-NE 2.9Å; L151-R155 PolarHBondContact O-NH2 2.92Å; L151-C175 HydrophobicContact CD2-CB 3.47Å; L151-C175 VanDerWaalsContact CD2-CB 3.47Å; L151-C175 HydrophobicContact CG-CB 3.81Å
152	S	80.7	Confident	75.3	Confident	75 Å²	75	93.9 Å²	93.9	52%	0.524	48%	0.482	S	S	.	.	H	α-helix	trans	-70.8	-39.8	173	-160.5	0	0	0	0	111.6	A148 A149 F150 R155	A148-S152 PolarHBondContact O-N 2.94Å; A149-S152 WeakPolarHBondContact O-CA 3.22Å; A149-S152 VanDerWaalsContact O-CB 3.29Å; A149-S152 WeakPolarHBondContact O-CB 3.24Å; A149-S152 PolarHBondContact O-N 2.83Å; F150-S152 VanDerWaalsContact C-N 3.27Å; F150-S152 PolarHBondContact O-N 3.15Å; S152-R155 PolarHBondContact O-N 3.04Å
153	M	77.4	Confident	74.6	Confident	122 Å²	122	92.8 Å²	92.8	60%	0.601	48%	0.477	S	S	*	.	H	α-helix	trans	-67.2	-38.6	176.6	-67.1	177.2	67.7	0	0	112.5	A149 F150 R155 D156 L159	A149-M153 WeakPolarHBondContact O-CG 3.2Å; A149-M153 PolarHBondContact O-N 2.83Å; F150-M153 PolarHBondContact O-N 3.31Å; M153-R155 PolarHBondContact O-N 3.1Å; M153-D156 WeakPolarHBondContact O-CB 3.41Å; M153-D156 PolarHBondContact O-N 2.95Å; M153-L159 VanDerWaalsContact O-CD1 3.27Å; M153-L159 WeakPolarHBondContact O-CD1 3.39Å
154	L	72.8	Confident	74.5	Confident	29 Å²	29	93.5 Å²	93.5	15%	0.152	49%	0.486	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-15.2	176.9	-77	171.9	0	0	0	114.2	F150 L159 L168 M171 C175	F150-L154 HydrophobicContact CD1-CD1 4.39Å; F150-L154 HydrophobicContact CE1-CD1 4.17Å; F150-L154 HydrophobicContact CZ-CD1 4.31Å; F150-L154 PolarHBondContact O-N 2.77Å; L154-L159 HydrophobicContact CD2-CD1 4.37Å; L154-L168 HydrophobicContact CD2-CD2 4.43Å; L154-M171 HydrophobicContact CD1-CB 4.24Å; L154-M171 HydrophobicContact CD2-CB 4.15Å; L154-M171 HydrophobicContact CD2-CE 4.15Å; L154-C175 HydrophobicContact CD1-CB 4.45Å; L154-C175 WeakPolarHBondContact CD1-SG 3.29Å
155	R	71.5	Confident	74.1	Confident	177 Å²	177	94.8 Å²	94.8	67%	0.668	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	3.8	175.6	-73.8	176.9	-72.4	-175.2	0.3	113.6	L151 S152 M153	L151-R155 WeakPolarHBondContact O-CG 3.14Å; L151-R155 PolarHBondContact O-NE 2.9Å; L151-R155 PolarHBondContact O-NH2 2.92Å; S152-R155 PolarHBondContact O-N 3.04Å; M153-R155 PolarHBondContact O-N 3.1Å
156	D	69	Low	73.7	Confident	117 Å²	117	91.7 Å²	91.7	63%	0.626	50%	0.501	S	S	*	.	S	Bend	trans	-89.6	119.3	173.2	-169.7	14.2	0	0	0	110.2	M153 G158 L159	M153-D156 WeakPolarHBondContact O-CB 3.41Å; M153-D156 PolarHBondContact O-N 2.95Å; D156-G158 PolarHBondContact O-N 3.1Å; D156-L159 PolarHBondContact O-N 2.98Å
157	D	58.3	Low	73.5	Confident	142 Å²	142	88.1 Å²	88.1	76%	0.759	49%	0.491	S	S	*	.	G	3₁₀ helix	trans	-56.7	-27	-165.5	-89.1	-39.6	0	0	0	113.9	L159 S160	D157-L159 PolarHBondContact O-N 2.82Å; D157-S160 WeakPolarHBondContact O-CB 3.37Å; D157-S160 PolarHBondContact O-N 2.87Å; D157-S160 VanDerWaalsContact O-N 3.09Å; D157-S160 PolarHBondContact O-OG 2.84Å
158	G	61.9	Low	73.1	Confident	47 Å²	47	89.1 Å²	89.1	49%	0.485	50%	0.495	S	S	.	.	G	3₁₀ helix	trans	-64.8	-6.9	-176.7	0	0	0	0	0	116.2	D156	D156-G158 PolarHBondContact O-N 3.1Å
159	L	61	Low	72.9	Confident	48 Å²	48	92.1 Å²	92.1	25%	0.251	50%	0.5	S	S	.	.	G	3₁₀ helix	trans	-84.5	-22.4	172.7	-65.1	-179	0	0	0	113.5	M153 L154 D156 D157 E161 R162 F163 L168	M153-L159 VanDerWaalsContact O-CD1 3.27Å; M153-L159 WeakPolarHBondContact O-CD1 3.39Å; L154-L159 HydrophobicContact CD2-CD1 4.37Å; D156-L159 PolarHBondContact O-N 2.98Å; D157-L159 PolarHBondContact O-N 2.82Å; L159-E161 VanDerWaalsContact C-N 3.3Å; L159-E161 PolarHBondContact O-N 2.89Å; L159-R162 PolarHBondContact O-N 2.97Å; L159-R162 VanDerWaalsContact O-N 3.1Å; L159-F163 HydrophobicContact CD2-CE2 4.28Å; L159-F163 PolarHBondContact O-N 3.03Å; L159-L168 HydrophobicContact CB-CD2 4.4Å
160	S	58.9	Low	72.8	Confident	75 Å²	75	96 Å²	96	52%	0.524	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-33.6	-177.1	63.7	0	0	0	0	113.6	D157	D157-S160 WeakPolarHBondContact O-CB 3.37Å; D157-S160 PolarHBondContact O-N 2.87Å; D157-S160 VanDerWaalsContact O-N 3.09Å; D157-S160 PolarHBondContact O-OG 2.84Å
161	E	60.9	Low	72.8	Confident	183 Å²	183	94.5 Å²	94.5	86%	0.855	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-13.7	177.8	-60.5	-166.9	144.8	0	0	113.9	L159	L159-E161 VanDerWaalsContact C-N 3.3Å; L159-E161 PolarHBondContact O-N 2.89Å
162	R	68.4	Low	72.9	Confident	206 Å²	206	96.3 Å²	96.3	78%	0.777	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.9	-21.4	-169.6	-76	-176.6	170.3	-178.7	-0.5	115.2	L159	L159-R162 PolarHBondContact O-N 2.97Å; L159-R162 VanDerWaalsContact O-N 3.1Å
163	F	72.3	Confident	72.9	Confident	100 Å²	100	96.9 Å²	96.9	44%	0.439	51%	0.505	S	S	.	.	S	Bend	trans	-129.2	144.5	-175.9	-68.1	-82.8	0	0	0	111.6	L159 S165 L168	L159-F163 HydrophobicContact CD2-CE2 4.28Å; L159-F163 PolarHBondContact O-N 3.03Å; F163-S165 PolarHBondContact O-N 2.77Å; F163-L168 HydrophobicContact CB-CD1 4.24Å; F163-L168 HydrophobicContact CB-CD2 3.92Å; F163-L168 HydrophobicContact CB-CG 3.84Å; F163-L168 HydrophobicContact CD2-CD2 4.49Å; F163-L168 HydrophobicContact CG-CD2 4.5Å
164	P	80.9	Confident	73.3	Confident	95 Å²	95	95.9 Å²	95.9	62%	0.617	50%	0.501	S	S	*	.			trans	-57.6	137.8	174.3	-23.6	33.9	0	0	0	111.4	A166 A167 L168	P164-A166 PolarHBondContact O-N 3.12Å; P164-A166 VanDerWaalsContact O-N 3.12Å; P164-A167 HydrophobicContact CB-CB 4.48Å; P164-A167 WeakPolarHBondContact O-CA 3.44Å; P164-A167 WeakPolarHBondContact O-CB 3.23Å; P164-A167 PolarHBondContact O-N 3.37Å; P164-L168 PolarHBondContact O-N 3.14Å; P164-L168 VanDerWaalsContact O-N 3.13Å
165	S	75.1	Confident	73.7	Confident	98 Å²	98	94.6 Å²	94.6	69%	0.685	50%	0.495	S	S	*	.	H	α-helix	trans	-50.3	-40.6	-179.6	165.6	0	0	0	0	113.5	F163 A167 L168 Q169	F163-S165 PolarHBondContact O-N 2.77Å; S165-A167 VanDerWaalsContact C-N 3.28Å; S165-A167 PolarHBondContact O-N 2.63Å; S165-L168 PolarHBondContact O-N 2.89Å; S165-Q169 PolarHBondContact O-N 3.31Å
166	A	79	Confident	74.2	Confident	71 Å²	71	89.2 Å²	89.2	59%	0.587	48%	0.479	S	S	*	.	H	α-helix	trans	-65.9	-25.8	176.4	0	0	0	0	0	114.2	P164 K170	P164-A166 PolarHBondContact O-N 3.12Å; P164-A166 VanDerWaalsContact O-N 3.12Å; A166-K170 WeakPolarHBondContact O-CB 3.36Å; A166-K170 VanDerWaalsContact O-CG 3.23Å; A166-K170 WeakPolarHBondContact O-CG 3.47Å; A166-K170 PolarHBondContact O-N 2.96Å
167	A	78.8	Confident	74.9	Confident	38 Å²	38	89 Å²	89	31%	0.314	48%	0.478	S	S	.	.	H	α-helix	trans	-78	-42.4	173.2	0	0	0	0	0	111.1	P164 S165 Q169 K170 M171	P164-A167 HydrophobicContact CB-CB 4.48Å; P164-A167 WeakPolarHBondContact O-CA 3.44Å; P164-A167 WeakPolarHBondContact O-CB 3.23Å; P164-A167 PolarHBondContact O-N 3.37Å; S165-A167 VanDerWaalsContact C-N 3.28Å; S165-A167 PolarHBondContact O-N 2.63Å; A167-Q169 PolarHBondContact O-N 3.32Å; A167-K170 WeakPolarHBondContact O-CB 3.34Å; A167-K170 PolarHBondContact O-N 3.33Å; A167-M171 VanDerWaalsContact O-CG 3.26Å; A167-M171 WeakPolarHBondContact O-CG 3.2Å; A167-M171 PolarHBondContact O-N 3.29Å
168	L	78.8	Confident	76.2	Confident	36 Å²	36	84.3 Å²	84.3	19%	0.188	46%	0.456	C	S	.	.	H	α-helix	trans	-61.5	-43.2	174.6	-68.7	169.8	0	0	0	111.6	L154 L159 F163 P164 S165 K170 M171 Q172	L154-L168 HydrophobicContact CD2-CD2 4.43Å; L159-L168 HydrophobicContact CB-CD2 4.4Å; F163-L168 HydrophobicContact CB-CD1 4.24Å; F163-L168 HydrophobicContact CB-CD2 3.92Å; F163-L168 HydrophobicContact CB-CG 3.84Å; F163-L168 HydrophobicContact CD2-CD2 4.49Å; F163-L168 HydrophobicContact CG-CD2 4.5Å; P164-L168 PolarHBondContact O-N 3.14Å; P164-L168 VanDerWaalsContact O-N 3.13Å; S165-L168 PolarHBondContact O-N 2.89Å; L168-K170 PolarHBondContact O-N 2.82Å; L168-M171 PolarHBondContact O-N 2.98Å; L168-Q172 PolarHBondContact O-N 3.28Å
169	Q	79.4	Confident	77.2	Confident	117 Å²	117	84.2 Å²	84.2	55%	0.547	45%	0.448	S	S	.	.	H	α-helix	trans	-59.1	-47.3	173.7	-174.4	-174.3	-28	0	0	111.5	S165 A167 M171 Q172 E173	S165-Q169 PolarHBondContact O-N 3.31Å; A167-Q169 PolarHBondContact O-N 3.32Å; Q169-M171 VanDerWaalsContact C-N 3.3Å; Q169-M171 PolarHBondContact O-N 3.24Å; Q169-Q172 PolarHBondContact O-N 2.84Å; Q169-E173 WeakPolarHBondContact CG-OE1 3.43Å; Q169-E173 PolarHBondContact NE2-OE1 2.8Å; Q169-E173 WeakPolarHBondContact O-CG 3.37Å; Q169-E173 PolarHBondContact O-N 2.67Å
170	K	82.7	Confident	78.2	Confident	130 Å²	130	88.5 Å²	88.5	57%	0.565	46%	0.464	S	S	*	.	H	α-helix	trans	-58.4	-39.4	174.7	-80.7	-83.5	179.1	-173.3	0	112.8	A166 A167 L168 I174	A166-K170 WeakPolarHBondContact O-CB 3.36Å; A166-K170 VanDerWaalsContact O-CG 3.23Å; A166-K170 WeakPolarHBondContact O-CG 3.47Å; A166-K170 PolarHBondContact O-N 2.96Å; A167-K170 WeakPolarHBondContact O-CB 3.34Å; A167-K170 PolarHBondContact O-N 3.33Å; L168-K170 PolarHBondContact O-N 2.82Å; K170-I174 WeakPolarHBondContact O-CB 3.23Å; K170-I174 WeakPolarHBondContact O-CD1 3.33Å; K170-I174 VanDerWaalsContact O-CG1 3.22Å; K170-I174 WeakPolarHBondContact O-CG1 3.4Å; K170-I174 PolarHBondContact O-N 3.2Å
171	M	81.9	Confident	79.4	Confident	56 Å²	56	88.8 Å²	88.8	28%	0.276	46%	0.463	S	S	.	.	H	α-helix	trans	-66.7	-42.9	177.3	-69.6	166	77.8	0	0	111	F150 L154 A167 L168 Q169 I174 C175	F150-M171 HydrophobicContact CE2-CE 4.26Å; F150-M171 HydrophobicContact CZ-CE 3.76Å; L154-M171 HydrophobicContact CD1-CB 4.24Å; L154-M171 HydrophobicContact CD2-CB 4.15Å; L154-M171 HydrophobicContact CD2-CE 4.15Å; A167-M171 VanDerWaalsContact O-CG 3.26Å; A167-M171 WeakPolarHBondContact O-CG 3.2Å; A167-M171 PolarHBondContact O-N 3.29Å; L168-M171 PolarHBondContact O-N 2.98Å; Q169-M171 VanDerWaalsContact C-N 3.3Å; Q169-M171 PolarHBondContact O-N 3.24Å; M171-I174 PolarHBondContact O-N 3.04Å; M171-C175 PolarHBondContact O-N 3.07Å; M171-C175 PolarHBondContact O-SG 3.31Å
172	Q	80.4	Confident	80.4	Confident	60 Å²	60	80.1 Å²	80.1	28%	0.28	42%	0.422	S	S	.	.	H	α-helix	trans	-62.5	-47.4	174.3	-170.7	62.4	43.3	0	0	112	L168 Q169 I174 C175 D176	L168-Q172 PolarHBondContact O-N 3.28Å; Q169-Q172 PolarHBondContact O-N 2.84Å; Q172-I174 VanDerWaalsContact C-N 3.27Å; Q172-I174 PolarHBondContact O-N 2.86Å; Q172-C175 WeakPolarHBondContact O-CB 2.99Å; Q172-C175 PolarHBondContact O-N 3.15Å; Q172-D176 PolarHBondContact NE2-OD1 3.24Å; Q172-D176 PolarHBondContact NE2-OD2 2.9Å; Q172-D176 PolarHBondContact O-N 3.35Å
173	E	82.6	Confident	81	Confident	88 Å²	88	73.3 Å²	73.3	41%	0.411	41%	0.406	S	S	.	.	H	α-helix	trans	-55.4	-41.5	175.8	-74.3	169.2	-174.1	0	0	112.1	Q169 L177	Q169-E173 WeakPolarHBondContact CG-OE1 3.43Å; Q169-E173 PolarHBondContact NE2-OE1 2.8Å; Q169-E173 WeakPolarHBondContact O-CG 3.37Å; Q169-E173 PolarHBondContact O-N 2.67Å; E173-L177 VanDerWaalsContact O-CB 3.31Å; E173-L177 WeakPolarHBondContact O-CB 3.05Å; E173-L177 PolarHBondContact O-N 3.47Å; E173-L177 VanDerWaalsContact O-N 3.17Å
174	I	84.2	Confident	81.3	Confident	100 Å²	100	72 Å²	72	51%	0.513	41%	0.41	S	S	.	.	H	α-helix	trans	-67.1	-41.5	176	-71.4	165.1	0	0	0	110.8	K170 M171 Q172 L177 S178	K170-I174 WeakPolarHBondContact O-CB 3.23Å; K170-I174 WeakPolarHBondContact O-CD1 3.33Å; K170-I174 VanDerWaalsContact O-CG1 3.22Å; K170-I174 WeakPolarHBondContact O-CG1 3.4Å; K170-I174 PolarHBondContact O-N 3.2Å; M171-I174 PolarHBondContact O-N 3.04Å; Q172-I174 VanDerWaalsContact C-N 3.27Å; Q172-I174 PolarHBondContact O-N 2.86Å; I174-L177 PolarHBondContact O-N 2.86Å; I174-S178 VanDerWaalsContact O-CB 3.31Å; I174-S178 WeakPolarHBondContact O-CB 3.21Å; I174-S178 PolarHBondContact O-N 3.36Å; I174-S178 PolarHBondContact O-OG 3.13Å
175	C	82.7	Confident	81.5	Confident	3 Å²	3	71.3 Å²	71.3	2%	0.02	40%	0.4	C	S	.	.	H	α-helix	trans	-66.2	-46.2	179.6	-66.7	0	0	0	0	112.6	F150 L151 L154 M171 Q172 L177 S178 S179	F150-C175 WeakPolarHBondContact CD1-SG 3.26Å; F150-C175 WeakPolarHBondContact CE1-SG 3.49Å; L151-C175 HydrophobicContact CD2-CB 3.47Å; L151-C175 VanDerWaalsContact CD2-CB 3.47Å; L151-C175 HydrophobicContact CG-CB 3.81Å; L154-C175 HydrophobicContact CD1-CB 4.45Å; L154-C175 WeakPolarHBondContact CD1-SG 3.29Å; M171-C175 PolarHBondContact O-N 3.07Å; M171-C175 PolarHBondContact O-SG 3.31Å; Q172-C175 WeakPolarHBondContact O-CB 2.99Å; Q172-C175 PolarHBondContact O-N 3.15Å; C175-L177 VanDerWaalsContact C-N 3.27Å; C175-L177 PolarHBondContact O-N 2.87Å; C175-S178 PolarHBondContact O-N 3.02Å; C175-S179 WeakPolarHBondContact O-CB 3.5Å; C175-S179 PolarHBondContact O-N 2.76Å
176	D	80.1	Confident	81.8	Confident	63 Å²	63	67.5 Å²	67.5	34%	0.337	38%	0.376	S	S	.	.	H	α-helix	trans	-64.3	-35.3	179.3	-65	-19.4	0	0	0	111.3	Q172 K180	Q172-D176 PolarHBondContact NE2-OD1 3.24Å; Q172-D176 PolarHBondContact NE2-OD2 2.9Å; Q172-D176 PolarHBondContact O-N 3.35Å; D176-K180 WeakPolarHBondContact O-CD 3.29Å; D176-K180 VanDerWaalsContact O-CG 3.25Å; D176-K180 WeakPolarHBondContact O-CG 3.22Å; D176-K180 PolarHBondContact O-N 3.2Å
177	L	84.8	Confident	81.8	Confident	114 Å²	114	66.6 Å²	66.6	60%	0.597	37%	0.369	S	S	*	.	H	α-helix	trans	-70.6	-40.9	173	-174.3	62	0	0	0	112	E173 I174 C175 K180 T181	E173-L177 VanDerWaalsContact O-CB 3.31Å; E173-L177 WeakPolarHBondContact O-CB 3.05Å; E173-L177 PolarHBondContact O-N 3.47Å; E173-L177 VanDerWaalsContact O-N 3.17Å; I174-L177 PolarHBondContact O-N 2.86Å; C175-L177 VanDerWaalsContact C-N 3.27Å; C175-L177 PolarHBondContact O-N 2.87Å; L177-K180 PolarHBondContact O-N 2.91Å; L177-T181 WeakPolarHBondContact O-CB 3.46Å; L177-T181 PolarHBondContact O-N 2.93Å; L177-T181 PolarHBondContact O-OG1 3.05Å
178	S	85.7	Confident	81.8	Confident	43 Å²	43	67.8 Å²	67.8	30%	0.301	38%	0.375	S	S	.	.	H	α-helix	trans	-65.5	-41.2	177.9	-58	0	0	0	0	111.6	I174 C175 T181 A182	I174-S178 VanDerWaalsContact O-CB 3.31Å; I174-S178 WeakPolarHBondContact O-CB 3.21Å; I174-S178 PolarHBondContact O-N 3.36Å; I174-S178 PolarHBondContact O-OG 3.13Å; C175-S178 PolarHBondContact O-N 3.02Å; S178-T181 PolarHBondContact O-N 3.11Å; S178-A182 WeakPolarHBondContact O-CB 3.25Å; S178-A182 PolarHBondContact O-N 3Å
179	S	82.1	Confident	82	Confident	45 Å²	45	66.8 Å²	66.8	32%	0.315	37%	0.369	S	S	.	.	H	α-helix	trans	-61.4	-51.6	175.1	173.5	0	0	0	0	111.2	C175 T181 A182 S183	C175-S179 WeakPolarHBondContact O-CB 3.5Å; C175-S179 PolarHBondContact O-N 2.76Å; S179-T181 VanDerWaalsContact C-N 3.25Å; S179-T181 PolarHBondContact O-N 3.02Å; S179-A182 PolarHBondContact O-N 2.96Å; S179-S183 PolarHBondContact O-N 2.94Å; S179-S183 PolarHBondContact O-OG 3.27Å
180	K	82.4	Confident	81.9	Confident	138 Å²	138	64.5 Å²	64.5	60%	0.6	37%	0.366	S	S	*	.	H	α-helix	trans	-59.1	-36.7	176.3	-71.6	165.5	-173.4	167.1	0	112.5	D176 L177 S184	D176-K180 WeakPolarHBondContact O-CD 3.29Å; D176-K180 VanDerWaalsContact O-CG 3.25Å; D176-K180 WeakPolarHBondContact O-CG 3.22Å; D176-K180 PolarHBondContact O-N 3.2Å; L177-K180 PolarHBondContact O-N 2.91Å; K180-S184 VanDerWaalsContact O-CB 3.26Å; K180-S184 WeakPolarHBondContact O-CB 3.33Å; K180-S184 PolarHBondContact O-N 3.4Å; K180-S184 PolarHBondContact O-OG 3.27Å
181	T	83.3	Confident	81.6	Confident	80 Å²	80	63 Å²	63	49%	0.491	36%	0.364	S	S	.	.	H	α-helix	trans	-68	-45.4	176.6	-55.5	0	0	0	0	111.3	L177 S178 S179 S184 L185	L177-T181 WeakPolarHBondContact O-CB 3.46Å; L177-T181 PolarHBondContact O-N 2.93Å; L177-T181 PolarHBondContact O-OG1 3.05Å; S178-T181 PolarHBondContact O-N 3.11Å; S179-T181 VanDerWaalsContact C-N 3.25Å; S179-T181 PolarHBondContact O-N 3.02Å; T181-S184 PolarHBondContact O-N 3.4Å; T181-L185 WeakPolarHBondContact O-CB 3.47Å; T181-L185 PolarHBondContact O-N 3.21Å
182	A	83.9	Confident	81.4	Confident	1 Å²	1	66.1 Å²	66.1	1%	0.008	38%	0.376	C	S	.	.	H	α-helix	trans	-64.8	-41.4	179.2	0	0	0	0	0	112.6	Q140 L143 E144 S178 S179 L185 G186	Q140-A182 PolarHBondContact NE2-O 3.07Å; L143-A182 HydrophobicContact CD2-CB 4.08Å; L143-A182 HydrophobicContact CG-CB 4.21Å; E144-A182 HydrophobicContact CG-CB 3.7Å; S178-A182 WeakPolarHBondContact O-CB 3.25Å; S178-A182 PolarHBondContact O-N 3Å; S179-A182 PolarHBondContact O-N 2.96Å; A182-L185 PolarHBondContact O-N 3.07Å; A182-G186 PolarHBondContact O-N 2.77Å
183	S	79.5	Confident	81.2	Confident	63 Å²	63	65.7 Å²	65.7	44%	0.441	38%	0.38	S	S	.	.	H	α-helix	trans	-69.3	-35.5	176	-55.7	0	0	0	0	112.4	S179 G186 A187	S179-S183 PolarHBondContact O-N 2.94Å; S179-S183 PolarHBondContact O-OG 3.27Å; S183-G186 PolarHBondContact O-N 3.08Å; S183-A187 PolarHBondContact O-N 3.16Å
184	S	79.3	Confident	80.8	Confident	73 Å²	73	70.5 Å²	70.5	51%	0.51	39%	0.394	S	S	.	.	H	α-helix	trans	-66.5	-39	174.1	-59.6	0	0	0	0	111.5	K180 T181 A187 C188	K180-S184 VanDerWaalsContact O-CB 3.26Å; K180-S184 WeakPolarHBondContact O-CB 3.33Å; K180-S184 PolarHBondContact O-N 3.4Å; K180-S184 PolarHBondContact O-OG 3.27Å; T181-S184 PolarHBondContact O-N 3.4Å; S184-A187 PolarHBondContact O-N 2.88Å; S184-C188 PolarHBondContact O-N 3.25Å; S184-C188 VanDerWaalsContact O-N 3.14Å; S184-C188 PolarHBondContact O-SG 3Å; S184-C188 VanDerWaalsContact O-SG 3.4Å
185	L	85.2	Confident	80.2	Confident	80 Å²	80	70.6 Å²	70.6	42%	0.419	39%	0.392	S	S	.	.	H	α-helix	trans	-64	-43	173.2	-177.9	62	0	0	0	111.7	Q140 T181 A182 A187 C188 L189	Q140-L185 HydrophobicContact CB-CD2 4.14Å; Q140-L185 HydrophobicContact CB-CG 4.47Å; Q140-L185 HydrophobicContact CG-CB 4.24Å; Q140-L185 HydrophobicContact CG-CD2 4Å; Q140-L185 HydrophobicContact CG-CG 4.02Å; T181-L185 WeakPolarHBondContact O-CB 3.47Å; T181-L185 PolarHBondContact O-N 3.21Å; A182-L185 PolarHBondContact O-N 3.07Å; L185-A187 VanDerWaalsContact C-N 3.35Å; L185-A187 PolarHBondContact O-N 3.13Å; L185-C188 PolarHBondContact O-N 2.88Å; L185-L189 HydrophobicContact CG-CD1 4.14Å; L185-L189 WeakPolarHBondContact O-CG 3.44Å; L185-L189 PolarHBondContact O-N 2.89Å
186	G	81.8	Confident	79.8	Confident	18 Å²	18	71.7 Å²	71.7	19%	0.186	40%	0.397	C	S	.	.	H	α-helix	trans	-59.7	-42.2	175.1	0	0	0	0	0	112.9	A182 S183 C188 L189 S190	A182-G186 PolarHBondContact O-N 2.77Å; S183-G186 PolarHBondContact O-N 3.08Å; G186-C188 PolarHBondContact O-N 3.28Å; G186-L189 PolarHBondContact O-N 3.08Å; G186-S190 PolarHBondContact O-N 2.73Å
187	A	78.4	Confident	79.3	Confident	52 Å²	52	70.5 Å²	70.5	43%	0.43	40%	0.4	S	S	.	.	H	α-helix	trans	-60	-46.3	174.2	0	0	0	0	0	111.9	S183 S184 L185 S190 L191	S183-A187 PolarHBondContact O-N 3.16Å; S184-A187 PolarHBondContact O-N 2.88Å; L185-A187 VanDerWaalsContact C-N 3.35Å; L185-A187 PolarHBondContact O-N 3.13Å; A187-S190 PolarHBondContact O-N 2.83Å; A187-S190 PolarHBondContact O-OG 2.99Å; A187-L191 PolarHBondContact O-N 2.93Å
188	C	79.2	Confident	78.6	Confident	64 Å²	64	69 Å²	69	43%	0.432	40%	0.395	S	S	.	.	H	α-helix	trans	-60.4	-46.6	175.7	-69	0	0	0	0	112.6	S184 L185 G186 S190 L191 F192	S184-C188 PolarHBondContact O-N 3.25Å; S184-C188 VanDerWaalsContact O-N 3.14Å; S184-C188 PolarHBondContact O-SG 3Å; S184-C188 VanDerWaalsContact O-SG 3.4Å; L185-C188 PolarHBondContact O-N 2.88Å; G186-C188 PolarHBondContact O-N 3.28Å; C188-S190 VanDerWaalsContact C-N 3.31Å; C188-S190 PolarHBondContact O-N 2.84Å; C188-L191 WeakPolarHBondContact O-CB 3.32Å; C188-L191 PolarHBondContact O-N 3Å; C188-L191 VanDerWaalsContact O-N 3.13Å; C188-F192 HydrophobicContact CB-CE2 4.35Å; C188-F192 WeakPolarHBondContact O-CD2 3.35Å; C188-F192 PolarHBondContact O-N 3.08Å; C188-F192 VanDerWaalsContact O-N 3.1Å
189	L	83.6	Confident	77.7	Confident	15 Å²	15	73.7 Å²	73.7	8%	0.079	41%	0.406	C	S	.	.	H	α-helix	trans	-59.2	-41.2	178.3	-68.8	168.8	0	0	0	111.8	L133 A136 E137 Q140 L185 G186 L191 F192 S193	L133-L189 HydrophobicContact CD1-CD2 3.59Å; A136-L189 HydrophobicContact CB-CD1 4.44Å; A136-L189 HydrophobicContact CB-CD2 3.77Å; E137-L189 HydrophobicContact CG-CB 4.31Å; E137-L189 HydrophobicContact CG-CD1 4.29Å; Q140-L189 HydrophobicContact CB-CD1 3.78Å; Q140-L189 HydrophobicContact CG-CD1 4.03Å; L185-L189 HydrophobicContact CG-CD1 4.14Å; L185-L189 WeakPolarHBondContact O-CG 3.44Å; L185-L189 PolarHBondContact O-N 2.89Å; G186-L189 PolarHBondContact O-N 3.08Å; L189-L191 VanDerWaalsContact C-N 3.29Å; L189-L191 PolarHBondContact O-N 2.73Å; L189-F192 PolarHBondContact O-N 3.11Å; L189-S193 PolarHBondContact O-N 2.87Å
190	S	76.3	Confident	77.1	Confident	68 Å²	68	73.9 Å²	73.9	48%	0.476	41%	0.407	S	S	.	.	H	α-helix	trans	-62.5	-33.2	176.9	79	0	0	0	0	113.5	G186 A187 C188 R194	G186-S190 PolarHBondContact O-N 2.73Å; A187-S190 PolarHBondContact O-N 2.83Å; A187-S190 PolarHBondContact O-OG 2.99Å; C188-S190 VanDerWaalsContact C-N 3.31Å; C188-S190 PolarHBondContact O-N 2.84Å; S190-R194 WeakPolarHBondContact O-CB 3.38Å; S190-R194 PolarHBondContact O-N 2.63Å; S190-R194 VanDerWaalsContact O-N 3.14Å
191	L	75.9	Confident	76.3	Confident	100 Å²	100	70.7 Å²	70.7	52%	0.524	40%	0.399	S	S	.	.	H	α-helix	trans	-72.5	-40.9	176	-70.1	171.6	0	0	0	111.6	A187 C188 L189 R194 Q195	A187-L191 PolarHBondContact O-N 2.93Å; C188-L191 WeakPolarHBondContact O-CB 3.32Å; C188-L191 PolarHBondContact O-N 3Å; C188-L191 VanDerWaalsContact O-N 3.13Å; L189-L191 VanDerWaalsContact C-N 3.29Å; L189-L191 PolarHBondContact O-N 2.73Å; L191-R194 PolarHBondContact O-N 3.23Å; L191-Q195 WeakPolarHBondContact O-CB 3.31Å; L191-Q195 PolarHBondContact O-N 2.85Å
192	F	78.3	Confident	75.2	Confident	121 Å²	121	73.5 Å²	73.5	53%	0.531	41%	0.405	S	S	.	.	H	α-helix	trans	-63.5	-47.3	174.6	-70.3	-59.9	0	0	0	111.7	L133 C188 L189 R194 Q195 E196	L133-F192 HydrophobicContact CD1-CB 3.91Å; L133-F192 HydrophobicContact CD2-CB 4.45Å; C188-F192 HydrophobicContact CB-CE2 4.35Å; C188-F192 WeakPolarHBondContact O-CD2 3.35Å; C188-F192 PolarHBondContact O-N 3.08Å; C188-F192 VanDerWaalsContact O-N 3.1Å; L189-F192 PolarHBondContact O-N 3.11Å; F192-R194 VanDerWaalsContact C-N 3.34Å; F192-R194 PolarHBondContact O-N 2.81Å; F192-Q195 CarbonylContact O-C 3.52Å; F192-Q195 PolarHBondContact O-N 2.83Å; F192-E196 WeakPolarHBondContact O-CB 3.33Å; F192-E196 PolarHBondContact O-N 3.38Å
193	S	76.4	Confident	74.2	Confident	51 Å²	51	78 Å²	78	36%	0.357	43%	0.428	S	S	.	.	H	α-helix	trans	-56.8	-44.9	176.3	178.7	0	0	0	0	112.1	L189 Q195 E196 G197	L189-S193 PolarHBondContact O-N 2.87Å; S193-Q195 VanDerWaalsContact C-N 3.33Å; S193-Q195 PolarHBondContact O-N 3.2Å; S193-E196 PolarHBondContact O-N 3.16Å; S193-G197 PolarHBondContact O-N 2.83Å
194	R	73.9	Confident	73.6	Confident	188 Å²	188	80.9 Å²	80.9	71%	0.709	44%	0.435	S	S	*	.	H	α-helix	trans	-65.7	-34.1	176.3	-163.9	-179.7	71.8	155.8	2.3	112.8	S190 L191 F192 V198	S190-R194 WeakPolarHBondContact O-CB 3.38Å; S190-R194 PolarHBondContact O-N 2.63Å; S190-R194 VanDerWaalsContact O-N 3.14Å; L191-R194 PolarHBondContact O-N 3.23Å; F192-R194 VanDerWaalsContact C-N 3.34Å; F192-R194 PolarHBondContact O-N 2.81Å; R194-V198 WeakPolarHBondContact O-CG2 3.39Å; R194-V198 PolarHBondContact O-N 3.02Å
195	Q	72	Confident	72.4	Confident	102 Å²	102	83.3 Å²	83.3	48%	0.477	44%	0.438	S	S	.	.	H	α-helix	trans	-73.5	-34.6	177	-175.6	172.4	-5.9	0	0	112.1	L191 F192 S193 V198 R199	L191-Q195 WeakPolarHBondContact O-CB 3.31Å; L191-Q195 PolarHBondContact O-N 2.85Å; F192-Q195 CarbonylContact O-C 3.52Å; F192-Q195 PolarHBondContact O-N 2.83Å; S193-Q195 VanDerWaalsContact C-N 3.33Å; S193-Q195 PolarHBondContact O-N 3.2Å; Q195-V198 PolarHBondContact O-N 3.34Å; Q195-R199 WeakPolarHBondContact O-CG 3.31Å; Q195-R199 PolarHBondContact O-N 3.29Å; Q195-R199 VanDerWaalsContact O-N 3.08Å
196	E	73.7	Confident	70.9	Confident	26 Å²	26	83.4 Å²	83.4	12%	0.121	44%	0.436	C	S	.	.	H	α-helix	trans	-65.1	-47.1	174.1	-175.2	174.2	-143	0	0	111.5	T130 L133 F192 S193 V198 R199 S200	T130-E196 VanDerWaalsContact CA-OE1 3.3Å; T130-E196 WeakPolarHBondContact CA-OE1 3.46Å; T130-E196 WeakPolarHBondContact CB-OE1 3.4Å; T130-E196 PolarHBondContact N-OE1 3.24Å; T130-E196 PolarHBondContact OG1-OE1 3.21Å; L133-E196 VanDerWaalsContact CD2-OE2 3.24Å; L133-E196 WeakPolarHBondContact CD2-OE2 3.39Å; F192-E196 WeakPolarHBondContact O-CB 3.33Å; F192-E196 PolarHBondContact O-N 3.38Å; S193-E196 PolarHBondContact O-N 3.16Å; E196-V198 VanDerWaalsContact C-N 3.28Å; E196-V198 PolarHBondContact O-N 2.98Å; E196-R199 CarbonylContact O-C 3.55Å; E196-R199 WeakPolarHBondContact O-CA 3.34Å; E196-R199 WeakPolarHBondContact O-CB 3.39Å; E196-R199 PolarHBondContact O-N 3.18Å; E196-S200 PolarHBondContact O-N 2.91Å
197	G	70.5	Confident	70	Confident	38 Å²	38	86.7 Å²	86.7	39%	0.392	45%	0.452	S	S	.	.	H	α-helix	trans	-56.8	-39.1	174	0	0	0	0	0	113.3	S193 R199 S200 V201	S193-G197 PolarHBondContact O-N 2.83Å; G197-R199 VanDerWaalsContact C-N 3.35Å; G197-S200 PolarHBondContact O-N 3.06Å; G197-V201 WeakPolarHBondContact O-CG2 3.33Å; G197-V201 PolarHBondContact O-N 3.18Å; G197-V201 VanDerWaalsContact O-N 3.09Å
198	V	69.1	Low	69	Low	83 Å²	83	88.1 Å²	88.1	50%	0.503	45%	0.45	S	S	.	.	H	α-helix	trans	-69.7	-29.1	174.7	172.7	0	0	0	0	112.6	R194 Q195 E196 K202	R194-V198 WeakPolarHBondContact O-CG2 3.39Å; R194-V198 PolarHBondContact O-N 3.02Å; Q195-V198 PolarHBondContact O-N 3.34Å; E196-V198 VanDerWaalsContact C-N 3.28Å; E196-V198 PolarHBondContact O-N 2.98Å; V198-K202 WeakPolarHBondContact O-CG 3.35Å; V198-K202 PolarHBondContact O-N 3.28Å
199	R	67.6	Low	67.7	Low	142 Å²	142	90.4 Å²	90.4	54%	0.536	45%	0.453	S	S	.	.	H	α-helix	trans	-72.5	-44.5	172	-76	172	165	177.2	-6.7	111.4	Q195 E196 G197 K202 L203	Q195-R199 WeakPolarHBondContact O-CG 3.31Å; Q195-R199 PolarHBondContact O-N 3.29Å; Q195-R199 VanDerWaalsContact O-N 3.08Å; E196-R199 CarbonylContact O-C 3.55Å; E196-R199 WeakPolarHBondContact O-CA 3.34Å; E196-R199 WeakPolarHBondContact O-CB 3.39Å; E196-R199 PolarHBondContact O-N 3.18Å; G197-R199 VanDerWaalsContact C-N 3.35Å; R199-K202 PolarHBondContact O-N 3.48Å; R199-L203 PolarHBondContact O-N 2.96Å
200	S	68.9	Low	66.2	Low	48 Å²	48	93.7 Å²	93.7	34%	0.336	47%	0.471	S	S	.	.	H	α-helix	trans	-56.8	-52.1	177.3	164.7	0	0	0	0	111.7	E196 G197 K202 L203 E204	E196-S200 PolarHBondContact O-N 2.91Å; G197-S200 PolarHBondContact O-N 3.06Å; S200-K202 VanDerWaalsContact C-N 3.28Å; S200-K202 PolarHBondContact O-N 3.14Å; S200-L203 WeakPolarHBondContact O-CB 3.39Å; S200-L203 PolarHBondContact O-N 3.46Å; S200-E204 PolarHBondContact O-N 3.38Å
201	V	65.8	Low	65.3	Low	71 Å²	71	95.1 Å²	95.1	43%	0.43	47%	0.468	S	S	.	.	H	α-helix	trans	-59.9	-36.5	178.2	172.5	0	0	0	0	112.4	G197 Q205	G197-V201 WeakPolarHBondContact O-CG2 3.33Å; G197-V201 PolarHBondContact O-N 3.18Å; G197-V201 VanDerWaalsContact O-N 3.09Å; V201-Q205 VanDerWaalsContact O-CG 3.26Å; V201-Q205 WeakPolarHBondContact O-CG 3.32Å; V201-Q205 PolarHBondContact O-N 2.68Å; V201-Q205 VanDerWaalsContact O-N 3.13Å
202	K	60.2	Low	64.1	Low	139 Å²	139	92.9 Å²	92.9	60%	0.604	46%	0.456	S	S	*	.	H	α-helix	trans	-69	-37.3	174.9	-76.8	-178.8	175.3	-170.9	0	112.7	V198 R199 S200 Q205 E206	V198-K202 WeakPolarHBondContact O-CG 3.35Å; V198-K202 PolarHBondContact O-N 3.28Å; R199-K202 PolarHBondContact O-N 3.48Å; S200-K202 VanDerWaalsContact C-N 3.28Å; S200-K202 PolarHBondContact O-N 3.14Å; K202-Q205 PolarHBondContact O-N 3.47Å; K202-E206 PolarHBondContact O-N 3Å
203	L	62.7	Low	62.6	Low	95 Å²	95	90.8 Å²	90.8	50%	0.497	45%	0.45	S	S	.	.	H	α-helix	trans	-65.9	-44.3	176.3	-176.9	61.5	0	0	0	110.7	L126 R199 S200 Q205 E206 V207	L126-L203 HydrophobicContact CD2-CD2 3.96Å; R199-L203 PolarHBondContact O-N 2.96Å; S200-L203 WeakPolarHBondContact O-CB 3.39Å; S200-L203 PolarHBondContact O-N 3.46Å; L203-Q205 VanDerWaalsContact C-N 3.33Å; L203-Q205 PolarHBondContact O-N 2.86Å; L203-E206 PolarHBondContact O-N 2.72Å; L203-V207 HydrophobicContact CD1-CG2 4.18Å; L203-V207 HydrophobicContact CG-CG2 4.35Å; L203-V207 WeakPolarHBondContact O-CB 3.45Å; L203-V207 VanDerWaalsContact O-CG2 3.24Å; L203-V207 WeakPolarHBondContact O-CG2 3.47Å; L203-V207 PolarHBondContact O-N 3.33Å
204	E	66.1	Low	61.4	Low	124 Å²	124	91.3 Å²	91.3	58%	0.579	45%	0.454	S	S	*	.	H	α-helix	trans	-57.9	-43.8	174.3	-69.1	-180	158.6	0	0	112.2	S200 V207 E208	S200-E204 PolarHBondContact O-N 3.38Å; E204-V207 PolarHBondContact O-N 2.75Å; E204-E208 PolarHBondContact O-N 3.39Å
205	Q	55.6	Low	60.5	Low	125 Å²	125	85.7 Å²	85.7	58%	0.584	44%	0.435	S	S	*	.	H	α-helix	trans	-61.9	-44.2	176.5	-74.3	171.3	-6.8	0	0	112.6	V201 K202 L203 K209	V201-Q205 VanDerWaalsContact O-CG 3.26Å; V201-Q205 WeakPolarHBondContact O-CG 3.32Å; V201-Q205 PolarHBondContact O-N 2.68Å; V201-Q205 VanDerWaalsContact O-N 3.13Å; K202-Q205 PolarHBondContact O-N 3.47Å; L203-Q205 VanDerWaalsContact C-N 3.33Å; L203-Q205 PolarHBondContact O-N 2.86Å; Q205-K209 VanDerWaalsContact O-CB 3.23Å; Q205-K209 WeakPolarHBondContact O-CB 3.4Å; Q205-K209 PolarHBondContact O-N 2.8Å
206	E	52.1	Low	59.3	Low	82 Å²	82	80.9 Å²	80.9	38%	0.383	41%	0.414	S	S	.	.	H	α-helix	trans	-74	-34.2	-179.5	-164.2	63.1	-151	0	0	112	K202 L203 K209 N210	K202-E206 PolarHBondContact O-N 3Å; L203-E206 PolarHBondContact O-N 2.72Å; E206-K209 PolarHBondContact O-N 3.29Å; E206-K209 IonicContact OE1-NZ 3.25Å; E206-K209 PolarHBondContact OE1-NZ 2.82Å; E206-K209 WeakPolarHBondContact OE2-CD 3.35Å; E206-K209 IonicContact OE2-NZ 2.63Å; E206-K209 PolarHBondContact OE2-NZ 3.02Å; E206-N210 WeakPolarHBondContact O-CB 3.47Å; E206-N210 PolarHBondContact O-N 3.03Å
207	V	63.9	Low	58.1	Low	86 Å²	86	84.9 Å²	84.9	52%	0.521	44%	0.435	S	S	.	.	H	α-helix	trans	-63.7	-48.4	173	166.4	0	0	0	0	111.4	L203 E204 K209 N210 K211	L203-V207 HydrophobicContact CD1-CG2 4.18Å; L203-V207 HydrophobicContact CG-CG2 4.35Å; L203-V207 WeakPolarHBondContact O-CB 3.45Å; L203-V207 VanDerWaalsContact O-CG2 3.24Å; L203-V207 WeakPolarHBondContact O-CG2 3.47Å; L203-V207 PolarHBondContact O-N 3.33Å; E204-V207 PolarHBondContact O-N 2.75Å; V207-K209 VanDerWaalsContact C-N 3.3Å; V207-K209 PolarHBondContact O-N 3.11Å; V207-N210 PolarHBondContact O-N 2.88Å; V207-K211 WeakPolarHBondContact O-CB 3.33Å; V207-K211 PolarHBondContact O-N 2.83Å
208	E	56.3	Low	57.2	Low	82 Å²	82	89.6 Å²	89.6	38%	0.383	45%	0.447	S	S	.	.	H	α-helix	trans	-65.5	-36	177.4	-175.7	56.6	-144.5	0	0	111.3	E204 K211 I212	E204-E208 PolarHBondContact O-N 3.39Å; E208-K211 PolarHBondContact O-N 3.49Å; E208-K211 IonicContact OE1-NZ 2.95Å; E208-K211 PolarHBondContact OE1-NZ 3.24Å; E208-K211 IonicContact OE2-NZ 2.62Å; E208-K211 PolarHBondContact OE2-NZ 2.93Å; E208-I212 HydrophobicContact CG-CD1 4.02Å; E208-I212 VanDerWaalsContact O-CB 3.28Å; E208-I212 WeakPolarHBondContact O-CB 3.25Å; E208-I212 WeakPolarHBondContact O-CG1 3.36Å; E208-I212 PolarHBondContact O-N 3.42Å
209	K	52.9	Low	56.3	Low	112 Å²	112	87.8 Å²	87.8	49%	0.487	44%	0.436	S	S	.	.	H	α-helix	trans	-63	-41.6	172.9	173.7	177	164	-126.6	0	112.9	Q205 E206 V207 I212 L213	Q205-K209 VanDerWaalsContact O-CB 3.23Å; Q205-K209 WeakPolarHBondContact O-CB 3.4Å; Q205-K209 PolarHBondContact O-N 2.8Å; E206-K209 PolarHBondContact O-N 3.29Å; E206-K209 IonicContact OE1-NZ 3.25Å; E206-K209 PolarHBondContact OE1-NZ 2.82Å; E206-K209 WeakPolarHBondContact OE2-CD 3.35Å; E206-K209 IonicContact OE2-NZ 2.63Å; E206-K209 PolarHBondContact OE2-NZ 3.02Å; V207-K209 VanDerWaalsContact C-N 3.3Å; V207-K209 PolarHBondContact O-N 3.11Å; K209-I212 WeakPolarHBondContact O-CB 3.23Å; K209-I212 PolarHBondContact O-N 3.19Å; K209-L213 WeakPolarHBondContact O-CB 3.48Å; K209-L213 PolarHBondContact O-N 3.39Å
210	N	51.7	Low	55.4	Low	85 Å²	85	83.5 Å²	83.5	46%	0.455	42%	0.423	S	S	.	.	H	α-helix	trans	-69.2	-40.2	175.4	-80.1	-18.9	0	0	0	112.1	E206 V207 L213 S214	E206-N210 WeakPolarHBondContact O-CB 3.47Å; E206-N210 PolarHBondContact O-N 3.03Å; V207-N210 PolarHBondContact O-N 2.88Å; N210-L213 WeakPolarHBondContact O-CB 3.4Å; N210-L213 PolarHBondContact O-N 2.59Å; N210-L213 VanDerWaalsContact O-N 3.16Å; N210-S214 PolarHBondContact O-N 3.35Å
211	K	57.6	Low	54.3	Low	98 Å²	98	84 Å²	84	43%	0.426	43%	0.431	S	S	.	.	H	α-helix	trans	-58.8	-46.5	169.7	166.4	166.8	157.6	-86.9	0	111.9	V207 E208 L213 S214 E215	V207-K211 WeakPolarHBondContact O-CB 3.33Å; V207-K211 PolarHBondContact O-N 2.83Å; E208-K211 PolarHBondContact O-N 3.49Å; E208-K211 IonicContact OE1-NZ 2.95Å; E208-K211 PolarHBondContact OE1-NZ 3.24Å; E208-K211 IonicContact OE2-NZ 2.62Å; E208-K211 PolarHBondContact OE2-NZ 2.93Å; K211-L213 VanDerWaalsContact C-N 3.26Å; K211-L213 PolarHBondContact O-N 3.03Å; K211-S214 PolarHBondContact O-N 2.96Å; K211-E215 WeakPolarHBondContact CE-OE1 3.41Å; K211-E215 WeakPolarHBondContact CG-OE1 3.36Å; K211-E215 WeakPolarHBondContact O-CG 3.05Å; K211-E215 PolarHBondContact O-N 2.79Å
212	I	51.2	Low	53.5	Low	53 Å²	53	84.3 Å²	84.3	27%	0.272	43%	0.433	S	S	.	.	H	α-helix	trans	-56.7	-38.7	173.3	-79.1	167.5	0	0	0	111.8	E208 K209 A216 R335	E208-I212 HydrophobicContact CG-CD1 4.02Å; E208-I212 VanDerWaalsContact O-CB 3.28Å; E208-I212 WeakPolarHBondContact O-CB 3.25Å; E208-I212 WeakPolarHBondContact O-CG1 3.36Å; E208-I212 PolarHBondContact O-N 3.42Å; K209-I212 WeakPolarHBondContact O-CB 3.23Å; K209-I212 PolarHBondContact O-N 3.19Å; I212-A216 WeakPolarHBondContact O-CB 3.22Å; I212-A216 PolarHBondContact O-N 2.62Å; I212-R335 PolarHBondContact O-NH2 2.87Å
213	L	47.3	Very low	53.2	Low	77 Å²	77	81.4 Å²	81.4	40%	0.403	42%	0.421	S	S	.	.	H	α-helix	trans	-72.3	-44	177.8	-177.6	60.4	0	0	0	112.3	K209 N210 K211 A216 L217	K209-L213 WeakPolarHBondContact O-CB 3.48Å; K209-L213 PolarHBondContact O-N 3.39Å; N210-L213 WeakPolarHBondContact O-CB 3.4Å; N210-L213 PolarHBondContact O-N 2.59Å; N210-L213 VanDerWaalsContact O-N 3.16Å; K211-L213 VanDerWaalsContact C-N 3.26Å; K211-L213 PolarHBondContact O-N 3.03Å; L213-A216 WeakPolarHBondContact O-CB 3.48Å; L213-A216 PolarHBondContact O-N 2.68Å; L213-L217 HydrophobicContact CD1-CD1 3.94Å; L213-L217 HydrophobicContact CG-CD1 3.94Å; L213-L217 PolarHBondContact O-N 2.85Å
214	S	50.6	Low	52.5	Low	61 Å²	61	82.1 Å²	82.1	43%	0.427	42%	0.422	S	S	.	.	H	α-helix	trans	-62.9	-47.1	178.8	-171.6	0	0	0	0	111.8	N210 K211 A216 L217 Q218	N210-S214 PolarHBondContact O-N 3.35Å; K211-S214 PolarHBondContact O-N 2.96Å; S214-A216 PolarHBondContact O-N 2.89Å; S214-L217 PolarHBondContact O-N 3.17Å; S214-L217 VanDerWaalsContact O-N 3.14Å; S214-Q218 WeakPolarHBondContact O-CB 3.48Å; S214-Q218 PolarHBondContact O-N 2.82Å
215	E	54.3	Low	51.9	Low	70 Å²	70	81 Å²	81	33%	0.327	42%	0.417	S	S	.	.	H	α-helix	trans	-57.6	-36.9	173.4	-72.1	177.5	-148.6	0	0	112.3	K211 T219 R335	K211-E215 WeakPolarHBondContact CE-OE1 3.41Å; K211-E215 WeakPolarHBondContact CG-OE1 3.36Å; K211-E215 WeakPolarHBondContact O-CG 3.05Å; K211-E215 PolarHBondContact O-N 2.79Å; E215-T219 WeakPolarHBondContact O-CB 3.17Å; E215-T219 PolarHBondContact O-N 3.33Å; E215-T219 PolarHBondContact O-OG1 2.58Å; E215-R335 IonicContact OE2-CZ 2.71Å; E215-R335 IonicContact OE2-NH1 3.69Å; E215-R335 PolarHBondContact OE2-NH1 2.78Å
216	A	47.9	Very low	51.8	Low	2 Å²	2	81.3 Å²	81.3	2%	0.017	42%	0.418	C	S	.	.	H	α-helix	trans	-68.7	-43.8	176.5	0	0	0	0	0	112.2	I212 L213 S214 T219 L220	I212-A216 WeakPolarHBondContact O-CB 3.22Å; I212-A216 PolarHBondContact O-N 2.62Å; L213-A216 WeakPolarHBondContact O-CB 3.48Å; L213-A216 PolarHBondContact O-N 2.68Å; S214-A216 PolarHBondContact O-N 2.89Å; A216-T219 PolarHBondContact O-N 3.17Å; A216-L220 WeakPolarHBondContact O-CB 3.43Å; A216-L220 WeakPolarHBondContact O-CG 3.47Å; A216-L220 PolarHBondContact O-N 3.46Å
217	L	48.6	Very low	51.6	Low	110 Å²	110	82.9 Å²	82.9	58%	0.576	43%	0.428	S	S	*	.	H	α-helix	trans	-62.3	-43.5	175.3	-102.5	118.4	0	0	0	111.7	L213 S214 L220 A221	L213-L217 HydrophobicContact CD1-CD1 3.94Å; L213-L217 HydrophobicContact CG-CD1 3.94Å; L213-L217 PolarHBondContact O-N 2.85Å; S214-L217 PolarHBondContact O-N 3.17Å; S214-L217 VanDerWaalsContact O-N 3.14Å; L217-L220 PolarHBondContact O-N 2.73Å; L217-A221 WeakPolarHBondContact O-CB 3.32Å; L217-A221 PolarHBondContact O-N 3.16Å
218	Q	51.8	Low	51.1	Low	136 Å²	136	83.6 Å²	83.6	64%	0.636	43%	0.426	S	S	*	.	H	α-helix	trans	-67.6	-36.9	179.3	-166.1	168.8	10.8	0	0	111.9	S214 A221 T222	S214-Q218 WeakPolarHBondContact O-CB 3.48Å; S214-Q218 PolarHBondContact O-N 2.82Å; Q218-A221 PolarHBondContact O-N 3.29Å; Q218-T222 PolarHBondContact O-N 3.25Å; Q218-T222 PolarHBondContact O-OG1 2.71Å; Q218-T222 VanDerWaalsContact O-OG1 3.07Å
219	T	48.4	Very low	50.7	Low	46 Å²	46	83.3 Å²	83.3	28%	0.282	43%	0.425	S	S	.	.	H	α-helix	trans	-62.1	-50.6	171.6	-55.4	0	0	0	0	111.1	E215 A216 A221 T222 E223 W331	E215-T219 WeakPolarHBondContact O-CB 3.17Å; E215-T219 PolarHBondContact O-N 3.33Å; E215-T219 PolarHBondContact O-OG1 2.58Å; A216-T219 PolarHBondContact O-N 3.17Å; T219-A221 VanDerWaalsContact C-N 3.3Å; T219-A221 PolarHBondContact O-N 2.99Å; T219-T222 PolarHBondContact O-N 2.99Å; T219-T222 VanDerWaalsContact O-N 3.16Å; T219-E223 PolarHBondContact O-N 3.21Å; T219-W331 HydrophobicContact CG2-CZ2 4.49Å
220	L	49.5	Very low	50.5	Low	51 Å²	51	79.6 Å²	79.6	27%	0.267	41%	0.413	S	S	.	.	H	α-helix	trans	-61	-36	177.9	-81.4	163.8	0	0	0	112.9	A216 L217 H224	A216-L220 WeakPolarHBondContact O-CB 3.43Å; A216-L220 WeakPolarHBondContact O-CG 3.47Å; A216-L220 PolarHBondContact O-N 3.46Å; L217-L220 PolarHBondContact O-N 2.73Å; L220-H224 VanDerWaalsContact O-CB 3.26Å; L220-H224 WeakPolarHBondContact O-CB 3.5Å; L220-H224 PolarHBondContact O-N 3.04Å
221	A	45.7	Very low	50.5	Low	60 Å²	60	81 Å²	81	50%	0.496	42%	0.424	S	S	.	.	H	α-helix	trans	-66.8	-41.1	175.4	0	0	0	0	0	111.8	L217 Q218 T219 H225	L217-A221 WeakPolarHBondContact O-CB 3.32Å; L217-A221 PolarHBondContact O-N 3.16Å; Q218-A221 PolarHBondContact O-N 3.29Å; T219-A221 VanDerWaalsContact C-N 3.3Å; T219-A221 PolarHBondContact O-N 2.99Å; A221-H225 VanDerWaalsContact O-CB 3.31Å; A221-H225 WeakPolarHBondContact O-CB 3.3Å; A221-H225 PolarHBondContact O-N 3.23Å
222	T	48.9	Very low	50.1	Low	77 Å²	77	82.4 Å²	82.4	47%	0.472	44%	0.441	S	S	.	.	H	α-helix	trans	-64	-50.3	174.7	-60	0	0	0	0	111.5	Q218 T219 H224 H225 E226	Q218-T222 PolarHBondContact O-N 3.25Å; Q218-T222 PolarHBondContact O-OG1 2.71Å; Q218-T222 VanDerWaalsContact O-OG1 3.07Å; T219-T222 PolarHBondContact O-N 2.99Å; T219-T222 VanDerWaalsContact O-N 3.16Å; T222-H224 VanDerWaalsContact C-N 3.34Å; T222-H224 PolarHBondContact O-N 3.07Å; T222-H225 WeakPolarHBondContact O-CB 3.01Å; T222-H225 PolarHBondContact O-N 2.81Å; T222-H225 VanDerWaalsContact O-N 3.11Å; T222-E226 PolarHBondContact O-N 3.25Å
223	E	53.3	Low	50	Low	77 Å²	77	86.4 Å²	86.4	36%	0.36	46%	0.456	S	S	.	.	H	α-helix	trans	-59.2	-43.4	177.7	-71.2	-174.6	165	0	0	112.1	T219 H225 E226 L227	T219-E223 PolarHBondContact O-N 3.21Å; E223-H225 VanDerWaalsContact C-N 3.31Å; E223-H225 PolarHBondContact O-N 2.86Å; E223-E226 PolarHBondContact O-N 2.97Å; E223-L227 WeakPolarHBondContact O-CB 3.39Å; E223-L227 WeakPolarHBondContact O-CG 3.34Å; E223-L227 PolarHBondContact O-N 2.57Å
224	H	49.4	Very low	49.7	Very low	111 Å²	111	86.1 Å²	86.1	51%	0.514	47%	0.472	S	S	.	.	H	α-helix	trans	-62.2	-40.3	176.1	-169.9	-79	0	0	0	111.5	L220 T222 L227 E228	L220-H224 VanDerWaalsContact O-CB 3.26Å; L220-H224 WeakPolarHBondContact O-CB 3.5Å; L220-H224 PolarHBondContact O-N 3.04Å; T222-H224 VanDerWaalsContact C-N 3.34Å; T222-H224 PolarHBondContact O-N 3.07Å; H224-L227 PolarHBondContact O-N 2.69Å; H224-E228 VanDerWaalsContact CE1-CD 3.42Å; H224-E228 IonicContact CE1-OE1 3.43Å; H224-E228 PolarHBondContact CE1-OE1 3.03Å; H224-E228 IonicContact CE1-OE2 3.69Å; H224-E228 IonicContact ND1-OE1 2.99Å; H224-E228 IonicContact ND1-OE2 2.84Å; H224-E228 PolarHBondContact ND1-OE2 3.06Å; H224-E228 WeakPolarHBondContact O-CG 3.5Å; H224-E228 PolarHBondContact O-N 3.49Å
225	H	52.6	Low	49.2	Very low	101 Å²	101	86.3 Å²	86.3	47%	0.468	47%	0.473	S	S	.	.	H	α-helix	trans	-67.4	-39.5	178.2	-170.9	58.8	0	0	0	112.6	A221 T222 E223 E228 Q229	A221-H225 VanDerWaalsContact O-CB 3.31Å; A221-H225 WeakPolarHBondContact O-CB 3.3Å; A221-H225 PolarHBondContact O-N 3.23Å; T222-H225 WeakPolarHBondContact O-CB 3.01Å; T222-H225 PolarHBondContact O-N 2.81Å; T222-H225 VanDerWaalsContact O-N 3.11Å; E223-H225 VanDerWaalsContact C-N 3.31Å; E223-H225 PolarHBondContact O-N 2.86Å; H225-E228 PolarHBondContact O-N 3.35Å; H225-Q229 PolarHBondContact CD2-NE2 2.72Å; H225-Q229 PolarHBondContact NE2-NE2 2.9Å; H225-Q229 WeakPolarHBondContact O-CB 3.34Å; H225-Q229 WeakPolarHBondContact O-CG 3.2Å; H225-Q229 PolarHBondContact O-N 2.76Å
226	E	53.5	Low	48.4	Very low	131 Å²	131	87.9 Å²	87.9	61%	0.612	49%	0.492	S	S	*	.	H	α-helix	trans	-65	-41.8	173.5	-70.2	-170	169.1	0	0	112.1	T222 E223 Q229 S230	T222-E226 PolarHBondContact O-N 3.25Å; E223-E226 PolarHBondContact O-N 2.97Å; E226-Q229 PolarHBondContact O-N 2.69Å; E226-S230 PolarHBondContact O-N 2.74Å
227	L	49.2	Very low	47.8	Very low	114 Å²	114	92.3 Å²	92.3	60%	0.597	52%	0.52	S	S	*	.	H	α-helix	trans	-60.2	-48.9	173.4	-79	164.4	0	0	0	111.6	E223 H224 Q229 S230 V231	E223-L227 WeakPolarHBondContact O-CB 3.39Å; E223-L227 WeakPolarHBondContact O-CG 3.34Å; E223-L227 PolarHBondContact O-N 2.57Å; H224-L227 PolarHBondContact O-N 2.69Å; L227-Q229 PolarHBondContact O-N 2.87Å; L227-S230 PolarHBondContact O-N 2.6Å; L227-S230 VanDerWaalsContact O-N 3.14Å; L227-S230 PolarHBondContact O-OG 3.3Å; L227-V231 WeakPolarHBondContact O-CG2 3.48Å; L227-V231 PolarHBondContact O-N 3.21Å; L227-V231 VanDerWaalsContact O-N 3.1Å
228	E	52.3	Low	47	Very low	102 Å²	102	98.7 Å²	98.7	48%	0.477	54%	0.537	S	S	.	.	H	α-helix	trans	-58.7	-44.6	174.6	-76.5	-175.2	135.5	0	0	112	H224 H225 S230 V231 V232	H224-E228 VanDerWaalsContact CE1-CD 3.42Å; H224-E228 IonicContact CE1-OE1 3.43Å; H224-E228 PolarHBondContact CE1-OE1 3.03Å; H224-E228 IonicContact CE1-OE2 3.69Å; H224-E228 IonicContact ND1-OE1 2.99Å; H224-E228 IonicContact ND1-OE2 2.84Å; H224-E228 PolarHBondContact ND1-OE2 3.06Å; H224-E228 WeakPolarHBondContact O-CG 3.5Å; H224-E228 PolarHBondContact O-N 3.49Å; H225-E228 PolarHBondContact O-N 3.35Å; E228-S230 VanDerWaalsContact C-N 3.29Å; E228-S230 PolarHBondContact O-N 2.99Å; E228-V231 PolarHBondContact O-N 2.95Å; E228-V232 WeakPolarHBondContact O-CB 3.38Å; E228-V232 VanDerWaalsContact O-CG2 3.3Å; E228-V232 WeakPolarHBondContact O-CG2 3.22Å; E228-V232 PolarHBondContact O-N 3.01Å
229	Q	47.3	Very low	46.1	Very low	76 Å²	76	96.9 Å²	96.9	36%	0.355	54%	0.539	S	S	.	.	H	α-helix	trans	-61.2	-36.3	175.6	-78.2	-161	42.5	0	0	112.6	H225 E226 L227 K233	H225-Q229 PolarHBondContact CD2-NE2 2.72Å; H225-Q229 PolarHBondContact NE2-NE2 2.9Å; H225-Q229 WeakPolarHBondContact O-CB 3.34Å; H225-Q229 WeakPolarHBondContact O-CG 3.2Å; H225-Q229 PolarHBondContact O-N 2.76Å; E226-Q229 PolarHBondContact O-N 2.69Å; L227-Q229 PolarHBondContact O-N 2.87Å; Q229-K233 WeakPolarHBondContact O-CB 3.3Å; Q229-K233 WeakPolarHBondContact O-CD 3.32Å; Q229-K233 VanDerWaalsContact O-CG 3.24Å; Q229-K233 WeakPolarHBondContact O-CG 3.49Å; Q229-K233 PolarHBondContact O-N 3.4Å
230	S	50.6	Low	45.4	Very low	33 Å²	33	99.5 Å²	99.5	23%	0.231	57%	0.565	C	S	.	*	H	α-helix	trans	-66.1	-43.7	177.6	79.8	0	0	0	0	111.8	E226 L227 E228	E226-S230 PolarHBondContact O-N 2.74Å; L227-S230 PolarHBondContact O-N 2.6Å; L227-S230 VanDerWaalsContact O-N 3.14Å; L227-S230 PolarHBondContact O-OG 3.3Å; E228-S230 VanDerWaalsContact C-N 3.29Å; E228-S230 PolarHBondContact O-N 2.99Å
231	V	50.7	Low	44.6	Very low	115 Å²	115	104.3 Å²	104.3	70%	0.697	59%	0.591	S	S	*	*	H	α-helix	trans	-67	-43.7	178.8	173.7	0	0	0	0	111.3	L227 E228 K233 G234	L227-V231 WeakPolarHBondContact O-CG2 3.48Å; L227-V231 PolarHBondContact O-N 3.21Å; L227-V231 VanDerWaalsContact O-N 3.1Å; E228-V231 PolarHBondContact O-N 2.95Å; V231-K233 VanDerWaalsContact C-N 3.34Å; V231-K233 PolarHBondContact O-N 2.75Å; V231-G234 PolarHBondContact O-N 3.25Å
232	V	48.6	Very low	43.7	Very low	127 Å²	127	106.6 Å²	106.6	77%	0.77	60%	0.603	S	S	*	*	H	α-helix	trans	-68.1	-31.1	-178.1	170	0	0	0	0	112.7	E228 G234	E228-V232 WeakPolarHBondContact O-CB 3.38Å; E228-V232 VanDerWaalsContact O-CG2 3.3Å; E228-V232 WeakPolarHBondContact O-CG2 3.22Å; E228-V232 PolarHBondContact O-N 3.01Å; V232-G234 VanDerWaalsContact C-N 3.26Å; V232-G234 PolarHBondContact O-N 2.95Å
233	K	49.6	Very low	43	Very low	137 Å²	137	112.2 Å²	112.2	60%	0.596	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	-9.1	-179.6	-73.7	168.3	-169.8	165.7	0	114	Q229 V231 S235	Q229-K233 WeakPolarHBondContact O-CB 3.3Å; Q229-K233 WeakPolarHBondContact O-CD 3.32Å; Q229-K233 VanDerWaalsContact O-CG 3.24Å; Q229-K233 WeakPolarHBondContact O-CG 3.49Å; Q229-K233 PolarHBondContact O-N 3.4Å; V231-K233 VanDerWaalsContact C-N 3.34Å; V231-K233 PolarHBondContact O-N 2.75Å; K233-S235 PolarHBondContact O-N 3.37Å
234	G	40.8	Very low	42	Very low	71 Å²	71	115.8 Å²	115.8	73%	0.732	65%	0.645	S	S	*	*			trans	67.8	-1.5	178.6	0	0	0	0	0	115	V231 V232	V231-G234 PolarHBondContact O-N 3.25Å; V232-G234 VanDerWaalsContact C-N 3.26Å; V232-G234 PolarHBondContact O-N 2.95Å
235	S	41.2	Very low	41.2	Very low	65 Å²	65	118.8 Å²	118.8	46%	0.455	66%	0.66	S	S	.	*	P	Polyproline II helix	trans	-68.8	128	164.1	48	0	0	0	0	109.3	K233	K233-S235 PolarHBondContact O-N 3.37Å
236	S	36.1	Very low	40.2	Very low	103 Å²	103	123.7 Å²	123.7	72%	0.72	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-49.8	137.9	158	-176.3	0	0	0	0	108.4	R238	S236-R238 PolarHBondContact O-N 3.3Å; S236-R238 VanDerWaalsContact O-N 3.14Å
237	P	36	Very low	39.3	Very low	95 Å²	95	125 Å²	125	62%	0.617	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-52.5	128.1	170.9	23.1	-33.1	0	0	0	107.7	S239	P237-S239 PolarHBondContact O-N 3.47Å
238	R	32	Very low	38.6	Very low	244 Å²	244	126.5 Å²	126.5	92%	0.921	70%	0.695	S	S	*	*			trans	-65.3	105.4	176.1	-100.6	-175.8	165.1	-172.6	-5.6	106.9	S236 A240	S236-R238 PolarHBondContact O-N 3.3Å; S236-R238 VanDerWaalsContact O-N 3.14Å; R238-A240 VanDerWaalsContact C-N 3.28Å; R238-A240 PolarHBondContact O-N 2.84Å
239	S	33.2	Very low	37.6	Very low	99 Å²	99	126.7 Å²	126.7	69%	0.692	71%	0.714	S	S	*	*			trans	-60.2	94.9	163.2	50.1	0	0	0	0	107.8	P237 L241	P237-S239 PolarHBondContact O-N 3.47Å; S239-L241 PolarHBondContact O-N 2.64Å
240	A	32.3	Very low	36.9	Very low	100 Å²	100	129.7 Å²	129.7	83%	0.826	74%	0.737	S	S	*	*	S	Bend	trans	-72.9	34	172.9	0	0	0	0	0	111.9	R238	R238-A240 VanDerWaalsContact C-N 3.28Å; R238-A240 PolarHBondContact O-N 2.84Å
241	L	32.7	Very low	36.3	Very low	153 Å²	153	133.4 Å²	133.4	80%	0.801	76%	0.763	S	S	*	*			trans	-144	76.9	178.1	-67.2	177.1	0	0	0	105.1	S239	S239-L241 PolarHBondContact O-N 2.64Å
242	S	27.1	Very low	35.5	Very low	107 Å²	107	136.7 Å²	136.7	75%	0.748	77%	0.77	S	S	*	*			trans	-65.9	137.2	158.1	43.8	0	0	0	0	108.2	D244	S242-D244 VanDerWaalsContact C-N 3.31Å; S242-D244 PolarHBondContact O-N 2.88Å
243	E	35.1	Very low	34.8	Very low	195 Å²	195	136.3 Å²	136.3	91%	0.911	77%	0.773	S	S	*	*	S	Bend	trans	-72.1	87.3	170.9	-66.1	177.7	121.8	0	0	109.4
244	D	31.6	Very low	33.8	Very low	152 Å²	152	133.6 Å²	133.6	81%	0.813	78%	0.784	S	S	*	*	S	Bend	trans	-175.8	161.1	144.7	-96.7	-31.2	0	0	0	111.1	S242	S242-D244 VanDerWaalsContact C-N 3.31Å; S242-D244 PolarHBondContact O-N 2.88Å
245	E	33.7	Very low	33.3	Very low	174 Å²	174	135.2 Å²	135.2	81%	0.813	78%	0.784	S	S	*	*			trans	62.1	59.6	167.3	-155.7	162.6	-121.4	0	0	118.1	H247	E245-H247 VanDerWaalsContact C-N 3.34Å; E245-H247 PolarHBondContact O-N 3.36Å
246	F	30.9	Very low	32.8	Very low	204 Å²	204	140.4 Å²	140.4	90%	0.895	80%	0.801	S	S	*	*			trans	-90.1	69.5	157.8	-158	-90.1	0	0	0	110.6
247	H	33.9	Very low	32.4	Very low	160 Å²	160	142.5 Å²	142.5	74%	0.741	80%	0.804	S	S	*	*			trans	-115.4	165.5	178.5	-87.1	-72.4	0	0	0	112.8	E245	E245-H247 VanDerWaalsContact C-N 3.34Å; E245-H247 PolarHBondContact O-N 3.36Å
248	D	35.3	Very low	32	Very low	145 Å²	145	142.9 Å²	142.9	78%	0.775	81%	0.809	S	S	*	*			trans	-46.9	138.3	-159.5	-61.7	-62	0	0	0	118.3
249	A	31.1	Very low	31.7	Very low	106 Å²	106	140 Å²	140	88%	0.876	81%	0.811	S	S	*	*			trans	-96.4	113.1	154.5	0	0	0	0	0	109.3
250	V	32.8	Very low	31.5	Very low	139 Å²	139	141.2 Å²	141.2	84%	0.842	82%	0.819	S	S	*	*			trans	-78	154	-175.2	-176.6	0	0	0	0	111.6
251	S	38.6	Very low	31.1	Very low	111 Å²	111	140.3 Å²	140.3	78%	0.776	82%	0.82	S	S	*	*			trans	-86.6	116.8	179.1	164.2	0	0	0	0	113
252	E	32	Very low	30.7	Very low	184 Å²	184	142.8 Å²	142.8	86%	0.86	82%	0.824	S	S	*	*			trans	-154.4	123.7	142	-105.1	-179.3	-177.7	0	0	107.5
253	S	35.1	Very low	30.7	Very low	118 Å²	118	145.8 Å²	145.8	83%	0.825	83%	0.826	S	S	*	*				82.1	98.1	80.1	-166.3	0	0	0	0	112.7
254	G	29.1	Very low	30.3	Very low	80 Å²	80	142.8 Å²	142.8	83%	0.825	82%	0.821	S	S	*	*			trans	-143.8	113.3	169.8	0	0	0	0	0	108.5
255	S	30.2	Very low	30	Very low	105 Å²	105	142.1 Å²	142.1	73%	0.734	82%	0.823	S	S	*	*			trans	-89.5	164.7	-179.7	51.1	0	0	0	0	112.2
256	E	30.1	Very low	29.6	Very low	174 Å²	174	137.4 Å²	137.4	81%	0.813	81%	0.814	S	S	*	*			trans	82.6	144.3	170.2	-52	-170.5	174.7	0	0	116
257	L	27.3	Very low	29.3	Very low	148 Å²	148	132.7 Å²	132.7	78%	0.775	81%	0.806	S	S	*	*			cis	-143	154.7	-0.1	-151.2	132.5	0	0	0	110.9
258	S	26.8	Very low	28.9	Very low	103 Å²	103	132.7 Å²	132.7	72%	0.72	81%	0.811	S	S	*	*			trans	-72.7	144.2	-177.9	-51.4	0	0	0	0	114.1
259	L	27.7	Very low	28.4	Very low	184 Å²	184	131 Å²	131	96%	0.963	81%	0.811	S	S	*	*			trans	-128.2	145.9	147.1	-81.9	176.7	0	0	0	109.5
260	S	27.8	Very low	28.1	Very low	123 Å²	123	134.8 Å²	134.8	86%	0.86	81%	0.808	S	S	*	*			trans	-121.2	148.5	-164.4	54.3	0	0	0	0	113
261	G	24.7	Very low	27.9	Very low	82 Å²	82	136.3 Å²	136.3	85%	0.845	81%	0.806	S	S	*	*			trans	124.5	129.9	-177.5	0	0	0	0	0	109
262	F	24.6	Very low	27.4	Very low	205 Å²	205	139.3 Å²	139.3	90%	0.899	81%	0.808	S	S	*	*			cis	-124.7	160.6	22.6	-174.5	-101.5	0	0	0	112.4
263	E	26.5	Very low	27.2	Very low	169 Å²	169	137.4 Å²	137.4	79%	0.79	80%	0.803	S	S	*	*			trans	-91.2	144.9	-173.1	-71.5	-179.6	120.8	0	0	114.4
264	T	26.9	Very low	27	Very low	132 Å²	132	140 Å²	140	81%	0.81	80%	0.803	S	S	*	*			trans	-39.4	132.9	158.3	-51.9	0	0	0	0	114
265	V	24.9	Very low	26.9	Very low	139 Å²	139	143.4 Å²	143.4	84%	0.842	80%	0.797	S	S	*	*			trans	-131	134.4	148.7	-173.3	0	0	0	0	108.1
266	A	25	Very low	26.9	Very low	75 Å²	75	146.3 Å²	146.3	62%	0.62	80%	0.799	S	S	*	*			trans	-135.4	169.8	175	0	0	0	0	0	109.3
267	S	25.6	Very low	26.7	Very low	105 Å²	105	144.1 Å²	144.1	73%	0.734	79%	0.793	S	S	*	*			trans	75.2	152.7	-177	-36.6	0	0	0	0	113.5
268	N	24.4	Very low	26.6	Very low	159 Å²	159	145.1 Å²	145.1	85%	0.85	79%	0.793	S	S	*	*			cis	-125.5	161.2	15.5	-61.5	-59.9	0	0	0	113.8
269	S	25.9	Very low	26.5	Very low	109 Å²	109	143.5 Å²	143.5	76%	0.762	79%	0.793	S	S	*	*			trans	-90.5	159.5	160.3	50.5	0	0	0	0	111.6
270	F	23.4	Very low	26.5	Very low	187 Å²	187	139.7 Å²	139.7	82%	0.82	78%	0.781	S	S	*	*			trans	-155.4	155	142.2	-147.1	-105.1	0	0	0	110.3
271	E	28.3	Very low	26.3	Very low	170 Å²	170	138.7 Å²	138.7	79%	0.794	77%	0.77	S	S	*	*			trans	-116.5	164.9	-179	-62	168.2	137.5	0	0	109.3
272	E	29.8	Very low	26.3	Very low	175 Å²	175	142.5 Å²	142.5	82%	0.818	77%	0.768	S	S	*	*			trans	161	158.7	138.2	-87.4	173.8	177.6	0	0	111.4
273	D	26.3	Very low	26.2	Very low	144 Å²	144	139.2 Å²	139.2	77%	0.77	76%	0.759	S	S	*	*			trans	-110.3	168.5	-155.2	-65.9	-68.1	0	0	0	115.9
274	E	30.8	Very low	26.1	Very low	173 Å²	173	135.5 Å²	135.5	81%	0.808	75%	0.751	S	S	*	*			trans	62.5	161.8	149.8	-75.9	166.9	173.6	0	0	118.3
275	E	28.5	Very low	26	Very low	150 Å²	150	134.1 Å²	134.1	70%	0.701	75%	0.747	S	S	*	*			cis	-156.5	161.7	9.5	-141.4	171.1	-166.6	0	0	110.6
276	E	29.3	Very low	26.7	Very low	166 Å²	166	133 Å²	133	78%	0.776	74%	0.743	S	S	*	*			trans	59.6	156.5	149.9	-89.1	179.4	-168.7	0	0	122.3
277	D	26.6	Very low	26.5	Very low	128 Å²	128	135.7 Å²	135.7	68%	0.684	76%	0.755	S	S	*	*			cis	-161.8	170.1	-6.8	-171	22.2	0	0	0	112.1
278	E	25.8	Very low	26.5	Very low	170 Å²	170	135.6 Å²	135.6	79%	0.794	76%	0.755	S	S	*	*			trans	56	151.6	163.4	-76.7	-92.4	163.5	0	0	118.8
279	G	24.8	Very low	26.7	Very low	68 Å²	68	133.1 Å²	133.1	70%	0.701	75%	0.75	S	S	*	*			cis	168.7	158.1	4.2	0	0	0	0	0	105.8
280	S	26	Very low	27	Very low	104 Å²	104	134.1 Å²	134.1	73%	0.727	75%	0.754	S	S	*	*			cis	-175.7	140.8	32.8	140	0	0	0	0	111
281	V	23.4	Very low	27	Very low	103 Å²	103	129.2 Å²	129.2	62%	0.624	75%	0.748	S	S	*	*			trans	17.4	128.7	143.1	-139	0	0	0	0	120	L283	V281-L283 HydrophobicContact CG1-CD1 3.88Å; V281-L283 HydrophobicContact CG1-CG 4.39Å
282	M	24.7	Very low	26.9	Very low	161 Å²	161	127.2 Å²	127.2	79%	0.793	75%	0.748	S	S	*	*				-176.2	137.6	87.8	-80	-87.3	164.3	0	0	109.6
283	L	22.6	Very low	26.7	Very low	137 Å²	137	124.3 Å²	124.3	72%	0.717	75%	0.746	S	S	*	*				68.4	136.8	60.2	-65.1	171.9	0	0	0	115	V281	V281-L283 HydrophobicContact CG1-CD1 3.88Å; V281-L283 HydrophobicContact CG1-CG 4.39Å
284	S	24.5	Very low	26.6	Very low	90 Å²	90	125.8 Å²	125.8	63%	0.629	75%	0.751	S	S	*	*			cis	-173.5	166.3	-16.3	69.1	0	0	0	0	113.2
285	S	26.4	Very low	26.4	Very low	104 Å²	104	126 Å²	126	73%	0.727	76%	0.757	S	S	*	*			trans	74	165.3	142.3	-59.3	0	0	0	0	121
286	P	38.9	Very low	26.3	Very low	116 Å²	116	127.2 Å²	127.2	75%	0.753	76%	0.762	S	S	*	*			cis	-142.1	169.4	-45.4	39.6	-24.7	0	0	0	114.7
287	C	20.8	Very low	26.5	Very low	130 Å²	130	127.6 Å²	127.6	88%	0.878	76%	0.764	S	S	*	*			trans	-158.4	131.4	140.4	-122.8	0	0	0	0	114.3
288	S	25	Very low	26.4	Very low	104 Å²	104	129.1 Å²	129.1	73%	0.727	77%	0.772	S	S	*	*			trans	-62.3	160.5	176.3	42.3	0	0	0	0	115.4
289	S	28.9	Very low	26.9	Very low	107 Å²	107	129 Å²	129	75%	0.748	77%	0.771	S	S	*	*			cis	-177.1	-167.3	-8	-85.7	0	0	0	0	107.8
290	P	32.7	Very low	27.2	Very low	129 Å²	129	135.1 Å²	135.1	84%	0.838	78%	0.781	S	S	*	*				-85.9	-158.7	-83.9	41	-28.6	0	0	0	110.1
291	A	23.6	Very low	27.4	Very low	84 Å²	84	133.4 Å²	133.4	69%	0.694	78%	0.78	S	S	*	*			cis	-150.1	-169.9	8.1	0	0	0	0	0	107.7
292	T	26.3	Very low	27.7	Very low	129 Å²	129	136.4 Å²	136.4	79%	0.791	79%	0.792	S	S	*	*			cis	-154.3	146.3	17.5	-55.4	0	0	0	0	110.3
293	S	24.5	Very low	28.2	Very low	113 Å²	113	139.2 Å²	139.2	79%	0.79	79%	0.794	S	S	*	*			trans	39.3	92.4	161.3	-165.9	0	0	0	0	118.7
294	M	25.4	Very low	29.1	Very low	175 Å²	175	139.6 Å²	139.6	86%	0.862	80%	0.797	S	S	*	*			trans	-85.8	150	149.2	-68.5	177.8	168.1	0	0	110.3
295	L	25.8	Very low	29.7	Very low	178 Å²	178	143.5 Å²	143.5	93%	0.932	81%	0.805	S	S	*	*			trans	-133.8	142.2	135.2	-85	-179.9	0	0	0	107.6
296	Q	25.6	Very low	30.1	Very low	176 Å²	176	144.6 Å²	144.6	82%	0.822	81%	0.808	S	S	*	*			trans	-101.6	163.8	-177.2	-166.9	165.9	1.2	0	0	109.9
297	E	34	Very low	30.2	Very low	173 Å²	173	144.6 Å²	144.6	81%	0.808	80%	0.798	S	S	*	*			trans	-65.3	158.1	179.5	-62.9	157.8	116.9	0	0	112.6
298	D	24.4	Very low	30.9	Very low	161 Å²	161	144.2 Å²	144.2	86%	0.861	80%	0.796	S	S	*	*			trans	-145.1	143.6	152.6	-146.7	-18.1	0	0	0	109.6
299	H	36.3	Very low	31.5	Very low	166 Å²	166	144.9 Å²	144.9	77%	0.769	79%	0.792	S	S	*	*			trans	-87.3	120.2	-165.6	-75.2	-83.8	0	0	0	113.3
300	H	31.5	Very low	32.4	Very low	198 Å²	198	143.2 Å²	143.2	92%	0.917	79%	0.791	S	S	*	*			trans	-141.6	144.9	153.8	-85.7	-39.1	0	0	0	112.6
301	G	29.1	Very low	33.2	Very low	67 Å²	67	142.7 Å²	142.7	69%	0.691	78%	0.78	S	S	*	*			trans	-61	142.3	-159.2	0	0	0	0	0	115.7	R303	G301-R303 PolarHBondContact O-N 3.43Å
302	D	31	Very low	35.1	Very low	167 Å²	167	143.2 Å²	143.2	89%	0.893	78%	0.775	S	S	*	*			trans	-59.2	122.8	177	-161.8	13.1	0	0	0	110.5
303	R	34.7	Very low	37.6	Very low	220 Å²	220	145.7 Å²	145.7	83%	0.83	78%	0.775	S	S	*	*			trans	-105.2	131.5	178.7	-67.5	171.7	69.7	177.1	2.6	106.9	G301 E305	G301-R303 PolarHBondContact O-N 3.43Å; R303-E305 PolarHBondContact O-N 3.47Å
304	D	41.4	Very low	40.7	Very low	145 Å²	145	143.3 Å²	143.3	78%	0.775	75%	0.751	S	S	*	*			trans	-45.5	102.4	175.5	-75.3	-68.2	0	0	0	111.7	T306	D304-T306 PolarHBondContact O-N 2.85Å; D304-T306 PolarHBondContact O-OG1 3.26Å
305	E	37.5	Very low	44	Very low	171 Å²	171	136.9 Å²	136.9	80%	0.799	72%	0.717	S	S	*	*			trans	-72.8	67.2	173.2	-77.7	-150	139	0	0	110.1	R303 Q307	R303-E305 PolarHBondContact O-N 3.47Å; E305-Q307 VanDerWaalsContact C-N 3.29Å; E305-Q307 PolarHBondContact O-N 2.9Å
306	T	34.8	Very low	47.2	Very low	127 Å²	127	132 Å²	132	78%	0.779	70%	0.702	S	S	*	*			trans	-62.3	91.9	163.4	41.9	0	0	0	0	108.5	D304	D304-T306 PolarHBondContact O-N 2.85Å; D304-T306 PolarHBondContact O-OG1 3.26Å
307	Q	40	Very low	50.6	Low	116 Å²	116	126.2 Å²	126.2	54%	0.542	68%	0.681	S	S	.	*			trans	-54.3	144	172.9	-65.7	-170.1	-2	0	0	109.6	E305 N309 G310	E305-Q307 VanDerWaalsContact C-N 3.29Å; E305-Q307 PolarHBondContact O-N 2.9Å; Q307-N309 PolarHBondContact O-N 3.47Å; Q307-G310 PolarHBondContact O-N 3.29Å; Q307-G310 VanDerWaalsContact O-N 3.08Å
308	S	36.5	Very low	53.5	Low	122 Å²	122	118.2 Å²	118.2	85%	0.853	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57	-1.8	-174.1	57.3	0	0	0	0	116.3
309	N	38.5	Very low	56.9	Low	119 Å²	119	114.6 Å²	114.6	64%	0.636	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.5	-0.6	-173	-54.5	-7.6	0	0	0	112.4	Q307 I311	Q307-N309 PolarHBondContact O-N 3.47Å; N309-I311 VanDerWaalsContact C-N 3.35Å; N309-I311 PolarHBondContact O-N 3.46Å
310	G	45.9	Very low	59.7	Low	71 Å²	71	107.5 Å²	107.5	73%	0.732	60%	0.6	S	S	*	*			trans	73.4	19.1	175.7	0	0	0	0	0	115.4	Q307	Q307-G310 PolarHBondContact O-N 3.29Å; Q307-G310 VanDerWaalsContact O-N 3.08Å
311	I	51	Low	62.6	Low	119 Å²	119	101.9 Å²	101.9	61%	0.61	58%	0.581	S	S	*	*			trans	-91	109.3	177.6	-58.2	175.2	0	0	0	108.8	N309 K313	N309-I311 VanDerWaalsContact C-N 3.35Å; N309-I311 PolarHBondContact O-N 3.46Å; I311-K313 PolarHBondContact O-N 3.23Å
312	T	62.2	Low	65.5	Low	94 Å²	94	100.9 Å²	100.9	58%	0.577	56%	0.559	S	S	*	*			trans	-67.3	126.8	173.2	-37.3	0	0	0	0	110	H314	T312-H314 PolarHBondContact O-N 2.94Å
313	K	79.6	Confident	67.9	Low	182 Å²	182	95 Å²	95	79%	0.791	53%	0.525	S	S	*	.			trans	-87.6	94.3	-177.6	-178.1	-172.4	172	-167.8	0	110.2	I311	I311-K313 PolarHBondContact O-N 3.23Å
314	H	90.2	Very high	69.7	Low	62 Å²	62	87.3 Å²	87.3	29%	0.287	51%	0.505	S	S	.	.			trans	-56.2	151.6	173.7	-56.2	-59.8	0	0	0	113	T312 Q635 E638	T312-H314 PolarHBondContact O-N 2.94Å; H314-Q635 HydrophobicContact CB-CG 3.77Å; H314-E638 WeakPolarHBondContact CA-OE2 3.34Å
315	R	93.9	Very high	71	Confident	40 Å²	40	82.4 Å²	82.4	15%	0.151	48%	0.476	C	S	.	.			trans	-64.2	151.3	178.5	71.5	-170.2	-176.1	172.8	4.9	113.6	S317 M634 E638 E662	R315-S317 WeakPolarHBondContact CD-O 3.41Å; R315-M634 VanDerWaalsContact CZ-O 3.26Å; R315-M634 PolarHBondContact NE-O 3.46Å; R315-M634 PolarHBondContact NH2-O 2.89Å; R315-E638 WeakPolarHBondContact CB-OE1 3.4Å; R315-E638 HydrophobicContact CG-CB 4.4Å; R315-E638 HydrophobicContact CG-CG 4.24Å; R315-E638 WeakPolarHBondContact CG-OE2 2.87Å; R315-E638 PolarHBondContact N-OE1 3.41Å; R315-E638 PolarHBondContact N-OE2 2.86Å; R315-E662 IonicContact CZ-OE1 3.56Å; R315-E662 IonicContact CZ-OE2 2.73Å; R315-E662 VanDerWaalsContact NH1-CD 3.3Å; R315-E662 IonicContact NH1-OE1 3.56Å; R315-E662 PolarHBondContact NH1-OE1 2.9Å; R315-E662 IonicContact NH1-OE2 2.87Å; R315-E662 PolarHBondContact NH1-OE2 3.06Å; R315-E662 IonicContact NH2-OE1 3.59Å; R315-E662 PolarHBondContact NH2-OE1 3.19Å; R315-E662 IonicContact NH2-OE2 2.79Å
316	A	94	Very high	71.9	Confident	75 Å²	75	81.6 Å²	81.6	62%	0.62	48%	0.477	S	S	*	.	S	Bend	trans	-116.5	8.1	179	0	0	0	0	0	113.4	N622	A316-N622 PolarHBondContact O-ND2 3.09Å
317	S	96.1	Very high	72.8	Confident	55 Å²	55	81.2 Å²	81.2	39%	0.385	47%	0.47	S	S	.	.	S	Bend	trans	-155.6	162.8	176.9	57.1	0	0	0	0	109.4	R315	R315-S317 WeakPolarHBondContact CD-O 3.41Å
318	L	95.9	Very high	73.7	Confident	6 Å²	6	80.8 Å²	80.8	3%	0.031	47%	0.466	C	S	.	.			trans	-83.1	165.5	162.9	-50.7	178.3	0	0	0	109.6	A320 P354 M626 Y627 F629 E662	L318-A320 VanDerWaalsContact C-N 3.33Å; L318-A320 PolarHBondContact O-N 3.07Å; L318-P354 HydrophobicContact CD1-CG 3.84Å; L318-M626 HydrophobicContact CB-SD 3.59Å; L318-M626 VanDerWaalsContact CB-SD 3.59Å; L318-M626 HydrophobicContact CD1-SD 4.17Å; L318-M626 HydrophobicContact CG-SD 3.82Å; L318-M626 PolarHBondContact N-SD 2.9Å; L318-Y627 HydrophobicContact CD1-CD2 3.74Å; L318-Y627 HydrophobicContact CD1-CE2 4.01Å; L318-F629 HydrophobicContact CD1-CD2 4.24Å; L318-F629 HydrophobicContact CD1-CE2 4.03Å; L318-F629 HydrophobicContact CD2-CD2 4.36Å; L318-F629 HydrophobicContact CD2-CE2 4.36Å; L318-E662 HydrophobicContact CB-CG 4.32Å; L318-E662 HydrophobicContact CD1-CG 4.48Å; L318-E662 HydrophobicContact CD2-CG 4.24Å
319	P	94.3	Very high	74.8	Confident	85 Å²	85	77.5 Å²	77.5	55%	0.552	44%	0.443	S	S	*	.	S	Bend	trans	-62.8	-36.4	176.7	-22.9	35.9	0	0	0	113.3
320	A	94.9	Very high	75.9	Confident	17 Å²	17	73 Å²	73	14%	0.14	42%	0.419	C	S	.	.	S	Bend	trans	-124.7	150.3	175.1	0	0	0	0	0	112	L318 E662 N663	L318-A320 VanDerWaalsContact C-N 3.33Å; L318-A320 PolarHBondContact O-N 3.07Å; A320-E662 PolarHBondContact N-O 3.17Å; A320-N663 VanDerWaalsContact CB-C 3.45Å; A320-N663 WeakPolarHBondContact CB-O 3.44Å
321	P	92.6	Very high	76.6	Confident	80 Å²	80	70.1 Å²	70.1	52%	0.519	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-70.1	163.2	168.9	32.7	-35.9	0	0	0	111.2	Q625 M626	P321-Q625 CarbonylContact C-O 3.44Å; P321-Q625 WeakPolarHBondContact CA-O 3.13Å; P321-M626 HydrophobicContact CB-CE 4.35Å
322	M	89.5	Confident	77.1	Confident	46 Å²	46	66.6 Å²	66.6	23%	0.227	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-67.8	141.5	169.9	72	174	-74.1	0	0	111.6	R325 Q625 Y627	M322-R325 HydrophobicContact CE-CG 4.06Å; M322-Q625 PolarHBondContact N-O 3.37Å; M322-Y627 HydrophobicContact CB-CD1 3.69Å; M322-Y627 HydrophobicContact CB-CD2 3.87Å; M322-Y627 HydrophobicContact CB-CE1 3.47Å; M322-Y627 VanDerWaalsContact CB-CE1 3.47Å; M322-Y627 HydrophobicContact CB-CE2 3.64Å; M322-Y627 HydrophobicContact CB-CG 3.89Å; M322-Y627 VanDerWaalsContact CB-CZ 3.44Å; M322-Y627 HydrophobicContact CE-CD1 4.42Å; M322-Y627 HydrophobicContact SD-CD1 4.25Å; M322-Y627 HydrophobicContact SD-CG 4.44Å
323	F	82.2	Confident	77.1	Confident	44 Å²	44	63.4 Å²	63.4	19%	0.193	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-66.3	160.6	171.1	51.6	-87.2	0	0	0	111.7	R325 I350 Y627 M661 I666	F323-R325 HydrophobicContact CD2-CG 4.32Å; F323-R325 HydrophobicContact CE2-CG 3.78Å; F323-R325 PolarHBondContact O-N 2.59Å; F323-I350 HydrophobicContact CD2-CG2 4.22Å; F323-I350 HydrophobicContact CE2-CB 3.79Å; F323-I350 HydrophobicContact CE2-CG2 3.92Å; F323-I350 WeakPolarHBondContact CE2-O 3.33Å; F323-I350 VanDerWaalsContact CZ-CA 3.48Å; F323-I350 HydrophobicContact CZ-CB 4.22Å; F323-I350 HydrophobicContact CZ-CG2 4.37Å; F323-I350 WeakPolarHBondContact CZ-O 3.28Å; F323-Y627 AromaticContact CE1-CE1 3.92Å; F323-Y627 HydrophobicContact CE1-CE1 3.92Å; F323-Y627 VanDerWaalsContact CE1-OH 3.28Å; F323-Y627 WeakPolarHBondContact CE1-OH 3.24Å; F323-Y627 HydrophobicContact CZ-CE1 4.23Å; F323-M661 HydrophobicContact CE1-CE 3.49Å; F323-M661 VanDerWaalsContact CE1-CE 3.49Å; F323-M661 HydrophobicContact CZ-CE 3.71Å; F323-I666 HydrophobicContact CD1-CD1 3.56Å; F323-I666 HydrophobicContact CD1-CG1 4Å; F323-I666 HydrophobicContact CE1-CD1 3.69Å; F323-I666 HydrophobicContact CE1-CG1 4.49Å
324	S	73.3	Confident	76.1	Confident	58 Å²	58	55.7 Å²	55.7	41%	0.406	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-61.9	124.3	170.5	175.1	0	0	0	0	110.6	N326 D327	S324-N326 PolarHBondContact OG-N 3.34Å; S324-D327 WeakPolarHBondContact CB-OD2 3.27Å; S324-D327 PolarHBondContact OG-OD2 3.49Å
325	R	67.8	Low	74.5	Confident	42 Å²	42	54.8 Å²	54.8	16%	0.158	31%	0.313	C	S	.	.	S	Bend	trans	-89.7	-3.7	168.7	-73.5	-176.8	178.1	155.7	4.3	113	M322 F323 D327 F328 I350 N352 T402 G403	M322-R325 HydrophobicContact CE-CG 4.06Å; F323-R325 HydrophobicContact CD2-CG 4.32Å; F323-R325 HydrophobicContact CE2-CG 3.78Å; F323-R325 PolarHBondContact O-N 2.59Å; R325-D327 PolarHBondContact O-N 2.87Å; R325-F328 PolarHBondContact O-N 2.73Å; R325-I350 PolarHBondContact NE-O 2.78Å; R325-N352 PolarHBondContact NH2-O 3Å; R325-T402 PolarHBondContact NH1-OG1 2.65Å; R325-G403 VanDerWaalsContact NH2-CA 3.26Å
326	N	57.1	Low	72.4	Confident	154 Å²	154	59 Å²	59	82%	0.824	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-25.4	-173.7	-60.6	-24.4	0	0	0	112.1	S324 F328	S324-N326 PolarHBondContact OG-N 3.34Å; N326-F328 VanDerWaalsContact C-N 3.31Å; N326-F328 PolarHBondContact O-N 2.94Å
327	D	52.8	Low	70.2	Confident	119 Å²	119	55.9 Å²	55.9	64%	0.636	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-3.7	-174.4	-44.2	-80.1	0	0	0	112.8	S324 R325	S324-D327 WeakPolarHBondContact CB-OD2 3.27Å; S324-D327 PolarHBondContact OG-OD2 3.49Å; R325-D327 PolarHBondContact O-N 2.87Å
328	F	59.1	Low	67.7	Low	106 Å²	106	58.2 Å²	58.2	47%	0.465	32%	0.319	S	S	.	.			trans	-137.1	114.2	-176.3	-63.9	-83.5	0	0	0	113	R325 N326 I350 F351	R325-F328 PolarHBondContact O-N 2.73Å; N326-F328 VanDerWaalsContact C-N 3.31Å; N326-F328 PolarHBondContact O-N 2.94Å; F328-I350 HydrophobicContact CB-CD1 3.56Å; F328-I350 HydrophobicContact CD1-CD1 3.39Å; F328-I350 HydrophobicContact CD2-CD1 3.72Å; F328-I350 HydrophobicContact CE1-CD1 3.91Å; F328-I350 HydrophobicContact CE2-CD1 4.21Å; F328-I350 HydrophobicContact CE2-CG2 4.39Å; F328-I350 HydrophobicContact CG-CD1 3.27Å; F328-I350 HydrophobicContact CZ-CD1 4.29Å; F328-F351 HydrophobicContact CB-CE2 4.4Å; F328-F351 HydrophobicContact CB-CZ 3.81Å; F328-F351 WeakPolarHBondContact O-CZ 3.45Å
329	S	60.3	Low	65.2	Low	53 Å²	53	62.1 Å²	62.1	37%	0.371	36%	0.36	S	S	.	.			trans	-83.5	136.1	172.3	-179.8	0	0	0	0	112.3	W331 S332	S329-W331 PolarHBondContact O-N 2.75Å; S329-W331 WeakPolarHBondContact OG-CB 3.49Å; S329-W331 PolarHBondContact OG-N 2.71Å; S329-W331 VanDerWaalsContact OG-N 3.08Å; S329-S332 PolarHBondContact O-N 3.5Å; S329-S332 PolarHBondContact O-OG 3.1Å
330	I	61.7	Low	62.8	Low	26 Å²	26	63.3 Å²	63.3	13%	0.133	36%	0.36	C	S	.	.	H	α-helix	trans	-58	-28.5	168.7	-66.7	179.8	0	0	0	111.1	S332 I333 L334 F351 I496 L501	I330-S332 VanDerWaalsContact C-N 3.34Å; I330-S332 PolarHBondContact O-N 2.67Å; I330-I333 PolarHBondContact O-N 3Å; I330-L334 HydrophobicContact CG2-CD1 3.6Å; I330-L334 HydrophobicContact CG2-CG 3.88Å; I330-L334 PolarHBondContact O-N 3.41Å; I330-F351 HydrophobicContact CB-CE1 4.41Å; I330-F351 HydrophobicContact CD1-CD1 3.93Å; I330-F351 HydrophobicContact CD1-CE1 4.17Å; I330-F351 HydrophobicContact CG1-CD1 3.43Å; I330-F351 VanDerWaalsContact CG1-CD1 3.43Å; I330-F351 HydrophobicContact CG1-CE1 3.27Å; I330-F351 HydrophobicContact CG1-CG 4.18Å; I330-F351 HydrophobicContact CG1-CZ 3.92Å; I330-I496 WeakPolarHBondContact CB-O 3.45Å; I330-I496 HydrophobicContact CG2-CB 4.45Å; I330-I496 WeakPolarHBondContact CG2-O 3.2Å; I330-L501 HydrophobicContact CD1-CD1 3.73Å; I330-L501 HydrophobicContact CD1-CD2 4.1Å
331	W	60.1	Low	60.5	Low	9 Å²	9	67 Å²	67	3%	0.034	37%	0.374	C	S	.	.	H	α-helix	trans	-65.3	-30.7	-179.5	-173.9	-131.1	0	0	0	114	T219 S329 I333 L334 R335 I338 I497	T219-W331 HydrophobicContact CG2-CZ2 4.49Å; S329-W331 PolarHBondContact O-N 2.75Å; S329-W331 WeakPolarHBondContact OG-CB 3.49Å; S329-W331 PolarHBondContact OG-N 2.71Å; S329-W331 VanDerWaalsContact OG-N 3.08Å; W331-I333 VanDerWaalsContact C-N 3.26Å; W331-I333 PolarHBondContact O-N 3.2Å; W331-L334 HydrophobicContact CE3-CB 3.92Å; W331-L334 HydrophobicContact CZ3-CB 4.27Å; W331-L334 PolarHBondContact O-N 3.08Å; W331-R335 VanDerWaalsContact CD1-NH2 3.31Å; W331-R335 WeakPolarHBondContact O-CB 3.25Å; W331-R335 PolarHBondContact O-N 3.37Å; W331-I338 HydrophobicContact CH2-CD1 3.96Å; W331-I338 HydrophobicContact CZ2-CD1 4.4Å; W331-I497 HydrophobicContact CB-CG2 4.12Å; W331-I497 HydrophobicContact CD2-CB 4.44Å; W331-I497 HydrophobicContact CD2-CG1 4.4Å; W331-I497 HydrophobicContact CD2-CG2 3.58Å; W331-I497 HydrophobicContact CE3-CB 4.27Å; W331-I497 HydrophobicContact CE3-CD1 4.06Å; W331-I497 HydrophobicContact CE3-CG1 3.77Å; W331-I497 HydrophobicContact CE3-CG2 3.83Å; W331-I497 HydrophobicContact CG-CG2 3.7Å; W331-I497 HydrophobicContact CH2-CD1 4.24Å; W331-I497 HydrophobicContact CZ3-CD1 3.79Å; W331-I497 HydrophobicContact CZ3-CG1 4Å; W331-I497 HydrophobicContact CZ3-CG2 4.41Å
332	S	62.1	Low	58.3	Low	45 Å²	45	67.4 Å²	67.4	32%	0.315	37%	0.372	S	S	.	.	H	α-helix	trans	-63.9	-36.7	179.3	65.5	0	0	0	0	111.3	S329 I330 N336	S329-S332 PolarHBondContact O-N 3.5Å; S329-S332 PolarHBondContact O-OG 3.1Å; I330-S332 VanDerWaalsContact C-N 3.34Å; I330-S332 PolarHBondContact O-N 2.67Å; S332-N336 PolarHBondContact O-ND2 2.88Å
333	I	61.4	Low	56.2	Low	27 Å²	27	70.1 Å²	70.1	14%	0.138	40%	0.395	C	S	.	.	H	α-helix	trans	-72.6	-52.3	172.2	-64.5	124.9	0	0	0	110.4	I330 W331 R335 N336 C337 I345 M347 P348 F351	I330-I333 PolarHBondContact O-N 3Å; W331-I333 VanDerWaalsContact C-N 3.26Å; W331-I333 PolarHBondContact O-N 3.2Å; I333-R335 VanDerWaalsContact C-N 3.28Å; I333-R335 PolarHBondContact O-N 3.28Å; I333-N336 CarbonylContact O-C 3.53Å; I333-N336 WeakPolarHBondContact O-CA 3.26Å; I333-N336 WeakPolarHBondContact O-CB 3.46Å; I333-N336 PolarHBondContact O-N 3.06Å; I333-C337 PolarHBondContact O-N 2.88Å; I333-C337 PolarHBondContact O-SG 3.44Å; I333-I345 HydrophobicContact CG2-CG2 4.21Å; I333-M347 HydrophobicContact CG2-SD 4.43Å; I333-P348 HydrophobicContact CD1-CG 3.8Å; I333-P348 HydrophobicContact CG1-CG 3.95Å; I333-F351 HydrophobicContact CD1-CD2 3.8Å; I333-F351 HydrophobicContact CD1-CE2 3.28Å; I333-F351 HydrophobicContact CD1-CZ 4.18Å
334	L	58.2	Low	54.6	Low	20 Å²	20	74.7 Å²	74.7	11%	0.105	42%	0.415	C	S	.	.	H	α-helix	trans	-62.6	-31.9	-175.6	-68.9	-178.7	0	0	0	113.4	I330 W331 C337 I338 L342 F460 I496	I330-L334 HydrophobicContact CG2-CD1 3.6Å; I330-L334 HydrophobicContact CG2-CG 3.88Å; I330-L334 PolarHBondContact O-N 3.41Å; W331-L334 HydrophobicContact CE3-CB 3.92Å; W331-L334 HydrophobicContact CZ3-CB 4.27Å; W331-L334 PolarHBondContact O-N 3.08Å; L334-C337 CarbonylContact O-C 3.55Å; L334-C337 WeakPolarHBondContact O-CA 3.33Å; L334-C337 VanDerWaalsContact O-CB 3.32Å; L334-C337 WeakPolarHBondContact O-CB 3.36Å; L334-C337 PolarHBondContact O-N 3.28Å; L334-I338 PolarHBondContact O-N 2.96Å; L334-L342 HydrophobicContact CD2-CD2 3.97Å; L334-F460 HydrophobicContact CD1-CE2 4.11Å; L334-I496 HydrophobicContact CD1-CD1 3.42Å; L334-I496 VanDerWaalsContact CD1-CD1 3.42Å
335	R	56.8	Low	53.7	Low	44 Å²	44	73.6 Å²	73.6	17%	0.166	40%	0.404	C	S	.	.	H	α-helix	trans	-58	-49	170.5	-178	-171	-55.4	-175.8	2.1	111.5	I212 E215 W331 I333 C337 I338	I212-R335 PolarHBondContact O-NH2 2.87Å; E215-R335 IonicContact OE2-CZ 2.71Å; E215-R335 IonicContact OE2-NH1 3.69Å; E215-R335 PolarHBondContact OE2-NH1 2.78Å; W331-R335 VanDerWaalsContact CD1-NH2 3.31Å; W331-R335 WeakPolarHBondContact O-CB 3.25Å; W331-R335 PolarHBondContact O-N 3.37Å; I333-R335 VanDerWaalsContact C-N 3.28Å; I333-R335 PolarHBondContact O-N 3.28Å; R335-C337 PolarHBondContact O-N 3.06Å; R335-C337 VanDerWaalsContact O-N 3.09Å; R335-I338 WeakPolarHBondContact O-CB 3.35Å; R335-I338 WeakPolarHBondContact O-CG1 3.28Å; R335-I338 PolarHBondContact O-N 3.23Å; R335-I338 VanDerWaalsContact O-N 3.09Å
336	N	50.9	Low	53.2	Low	127 Å²	127	74.7 Å²	74.7	68%	0.679	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-5.7	176.2	-63.4	-14.7	0	0	0	112.9	S332 I333	S332-N336 PolarHBondContact O-ND2 2.88Å; I333-N336 CarbonylContact O-C 3.53Å; I333-N336 WeakPolarHBondContact O-CA 3.26Å; I333-N336 WeakPolarHBondContact O-CB 3.46Å; I333-N336 PolarHBondContact O-N 3.06Å
337	C	47.7	Very low	53.7	Low	10 Å²	10	68.9 Å²	68.9	7%	0.068	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-2.5	175.1	-54.8	0	0	0	0	113.6	I333 L334 R335 G339 M340 I345	I333-C337 PolarHBondContact O-N 2.88Å; I333-C337 PolarHBondContact O-SG 3.44Å; L334-C337 CarbonylContact O-C 3.55Å; L334-C337 WeakPolarHBondContact O-CA 3.33Å; L334-C337 VanDerWaalsContact O-CB 3.32Å; L334-C337 WeakPolarHBondContact O-CB 3.36Å; L334-C337 PolarHBondContact O-N 3.28Å; R335-C337 PolarHBondContact O-N 3.06Å; R335-C337 VanDerWaalsContact O-N 3.09Å; C337-G339 PolarHBondContact O-N 3.41Å; C337-G339 VanDerWaalsContact O-N 3.17Å; C337-M340 WeakPolarHBondContact O-CB 3.03Å; C337-M340 PolarHBondContact O-N 3.21Å; C337-I345 HydrophobicContact CB-CD1 3.69Å; C337-I345 HydrophobicContact CB-CG1 4.28Å; C337-I345 VanDerWaalsContact SG-CD1 3.53Å; C337-I345 WeakPolarHBondContact SG-CG1 3.26Å
338	I	44	Very low	54.6	Low	105 Å²	105	65.4 Å²	65.4	54%	0.538	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	119.5	-179.8	-64.8	172.4	0	0	0	108.7	W331 L334 R335	W331-I338 HydrophobicContact CH2-CD1 3.96Å; W331-I338 HydrophobicContact CZ2-CD1 4.4Å; L334-I338 PolarHBondContact O-N 2.96Å; R335-I338 WeakPolarHBondContact O-CB 3.35Å; R335-I338 WeakPolarHBondContact O-CG1 3.28Å; R335-I338 PolarHBondContact O-N 3.23Å; R335-I338 VanDerWaalsContact O-N 3.09Å
339	G	41.9	Very low	55.7	Low	87 Å²	87	60.5 Å²	60.5	90%	0.897	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.9	-3.8	-173.5	0	0	0	0	0	115.4	C337	C337-G339 PolarHBondContact O-N 3.41Å; C337-G339 VanDerWaalsContact O-N 3.17Å
340	M	43.7	Very low	56.7	Low	111 Å²	111	59 Å²	59	55%	0.547	33%	0.334	S	S	.	.	S	Bend	trans	-102.4	153	173	-64.1	-176.6	68.6	0	0	111.9	C337 L342 I345	C337-M340 WeakPolarHBondContact O-CB 3.03Å; C337-M340 PolarHBondContact O-N 3.21Å; M340-L342 PolarHBondContact O-N 3.42Å; M340-I345 HydrophobicContact CB-CD1 4.14Å
341	E	48.2	Very low	57.6	Low	94 Å²	94	58.4 Å²	58.4	44%	0.439	33%	0.331	S	S	.	.			trans	-67.1	119.2	168.4	-73.5	166.9	-141.2	0	0	110.3	S343 K344 I345	E341-S343 PolarHBondContact O-N 2.81Å; E341-K344 HydrophobicContact CB-CD 4.1Å; E341-K344 HydrophobicContact CB-CG 4.24Å; E341-K344 WeakPolarHBondContact O-CB 3.47Å; E341-K344 PolarHBondContact O-N 2.8Å; E341-K344 IonicContact OE1-NZ 2.75Å; E341-K344 PolarHBondContact OE1-NZ 2.84Å; E341-K344 WeakPolarHBondContact OE2-CE 3.24Å; E341-K344 IonicContact OE2-NZ 3.92Å; E341-K344 PolarHBondContact OE2-NZ 2.99Å; E341-I345 WeakPolarHBondContact O-CD1 3.18Å
342	L	45.7	Very low	59.1	Low	89 Å²	89	58.1 Å²	58.1	47%	0.466	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-53.5	-20.2	179.1	-67.7	167.6	0	0	0	114.9	L334 M340 K344 F460	L334-L342 HydrophobicContact CD2-CD2 3.97Å; M340-L342 PolarHBondContact O-N 3.42Å; L342-K344 VanDerWaalsContact C-N 3.35Å; L342-F460 HydrophobicContact CD1-CB 3.5Å; L342-F460 VanDerWaalsContact CD1-CB 3.5Å; L342-F460 HydrophobicContact CD1-CG 4.24Å
343	S	45.2	Very low	60.6	Low	103 Å²	103	56 Å²	56	72%	0.72	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-76.2	-15.7	175.2	52.8	0	0	0	0	114.4	E341	E341-S343 PolarHBondContact O-N 2.81Å
344	K	49.3	Very low	62.3	Low	139 Å²	139	54.7 Å²	54.7	60%	0.604	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-94.6	-1.5	-178	-69.3	176.4	174.5	151.2	0	113.5	E341 L342	E341-K344 HydrophobicContact CB-CD 4.1Å; E341-K344 HydrophobicContact CB-CG 4.24Å; E341-K344 WeakPolarHBondContact O-CB 3.47Å; E341-K344 PolarHBondContact O-N 2.8Å; E341-K344 IonicContact OE1-NZ 2.75Å; E341-K344 PolarHBondContact OE1-NZ 2.84Å; E341-K344 WeakPolarHBondContact OE2-CE 3.24Å; E341-K344 IonicContact OE2-NZ 3.92Å; E341-K344 PolarHBondContact OE2-NZ 2.99Å; L342-K344 VanDerWaalsContact C-N 3.35Å
345	I	53.9	Low	64.2	Low	35 Å²	35	53.7 Å²	53.7	18%	0.179	30%	0.303	C	S	.	.			trans	-103.3	122.2	-176.6	-62.4	113	0	0	0	112	I333 C337 M340 E341 M347	I333-I345 HydrophobicContact CG2-CG2 4.21Å; C337-I345 HydrophobicContact CB-CD1 3.69Å; C337-I345 HydrophobicContact CB-CG1 4.28Å; C337-I345 VanDerWaalsContact SG-CD1 3.53Å; C337-I345 WeakPolarHBondContact SG-CG1 3.26Å; M340-I345 HydrophobicContact CB-CD1 4.14Å; E341-I345 WeakPolarHBondContact O-CD1 3.18Å; I345-M347 PolarHBondContact O-N 3.25Å
346	T	57.9	Low	66.2	Low	66 Å²	66	51.6 Å²	51.6	41%	0.405	30%	0.295	S	S	.	.			trans	-72.3	102.8	166.7	-53.6	0	0	0	0	109.4	E677	T346-E677 WeakPolarHBondContact CG2-OE1 3.48Å; T346-E677 VanDerWaalsContact CG2-OE2 3.32Å; T346-E677 WeakPolarHBondContact CG2-OE2 3.4Å; T346-E677 PolarHBondContact OG1-OE2 3.34Å
347	M	65.8	Low	68.4	Low	32 Å²	32	47.2 Å²	47.2	16%	0.158	27%	0.27	C	S	.	.			trans	-55.9	131.7	168.2	-69.8	-65.1	-62.2	0	0	109.7	I333 I345 F351 K404 K673	I333-M347 HydrophobicContact CG2-SD 4.43Å; I345-M347 PolarHBondContact O-N 3.25Å; M347-F351 HydrophobicContact CE-CB 3.8Å; M347-F351 HydrophobicContact CE-CD2 4.12Å; M347-F351 HydrophobicContact CE-CG 4Å; M347-K404 HydrophobicContact CB-CD 4.44Å; M347-K404 HydrophobicContact CG-CD 4.08Å; M347-K673 PolarHBondContact O-NZ 3.25Å
348	P	71.9	Confident	70.8	Confident	46 Å²	46	46.8 Å²	46.8	30%	0.299	27%	0.267	S	S	.	.			trans	-57.2	151.3	173.7	-29.1	38.2	0	0	0	113.4	I333 I350 F351	I333-P348 HydrophobicContact CD1-CG 3.8Å; I333-P348 HydrophobicContact CG1-CG 3.95Å; P348-I350 HydrophobicContact CB-CD1 4.28Å; P348-I350 HydrophobicContact CB-CG1 3.72Å; P348-I350 PolarHBondContact O-N 3.15Å; P348-F351 HydrophobicContact CB-CD2 4.4Å; P348-F351 PolarHBondContact O-N 2.84Å
349	V	82.7	Confident	73.4	Confident	2 Å²	2	41.8 Å²	41.8	1%	0.012	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-57.9	-32.9	-176.5	174.9	0	0	0	0	112.5	F351 N352 F406 M661 I666 A669 S670 K673	V349-F351 PolarHBondContact O-N 2.81Å; V349-N352 WeakPolarHBondContact O-CA 3.49Å; V349-N352 VanDerWaalsContact O-CB 3.29Å; V349-N352 WeakPolarHBondContact O-CB 3.18Å; V349-N352 PolarHBondContact O-N 3Å; V349-F406 HydrophobicContact CG1-CZ 4.38Å; V349-M661 HydrophobicContact CG1-CB 4.24Å; V349-M661 HydrophobicContact CG1-CE 3.95Å; V349-M661 HydrophobicContact CG1-CG 3.89Å; V349-M661 HydrophobicContact CG1-SD 3.63Å; V349-M661 WeakPolarHBondContact O-CE 3.42Å; V349-I666 HydrophobicContact CG1-CG2 4.4Å; V349-A669 HydrophobicContact CG1-CB 3.87Å; V349-A669 HydrophobicContact CG2-CB 4.39Å; V349-S670 WeakPolarHBondContact CG2-OG 3.33Å; V349-K673 HydrophobicContact CG2-CB 4.41Å; V349-K673 HydrophobicContact CG2-CD 3.6Å
350	I	80.5	Confident	76	Confident	22 Å²	22	38.3 Å²	38.3	11%	0.113	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-55.8	-20.8	174.9	49.2	164	0	0	0	115.3	F323 R325 F328 P348 I666	F323-I350 HydrophobicContact CD2-CG2 4.22Å; F323-I350 HydrophobicContact CE2-CB 3.79Å; F323-I350 HydrophobicContact CE2-CG2 3.92Å; F323-I350 WeakPolarHBondContact CE2-O 3.33Å; F323-I350 VanDerWaalsContact CZ-CA 3.48Å; F323-I350 HydrophobicContact CZ-CB 4.22Å; F323-I350 HydrophobicContact CZ-CG2 4.37Å; F323-I350 WeakPolarHBondContact CZ-O 3.28Å; R325-I350 PolarHBondContact NE-O 2.78Å; F328-I350 HydrophobicContact CB-CD1 3.56Å; F328-I350 HydrophobicContact CD1-CD1 3.39Å; F328-I350 HydrophobicContact CD2-CD1 3.72Å; F328-I350 HydrophobicContact CE1-CD1 3.91Å; F328-I350 HydrophobicContact CE2-CD1 4.21Å; F328-I350 HydrophobicContact CE2-CG2 4.39Å; F328-I350 HydrophobicContact CG-CD1 3.27Å; F328-I350 HydrophobicContact CZ-CD1 4.29Å; P348-I350 HydrophobicContact CB-CD1 4.28Å; P348-I350 HydrophobicContact CB-CG1 3.72Å; P348-I350 PolarHBondContact O-N 3.15Å; I350-I666 HydrophobicContact CG2-CG2 3.99Å
351	F	81.8	Confident	78.5	Confident	14 Å²	14	33.2 Å²	33.2	6%	0.061	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-96.2	-1.9	173.5	-63.7	-68.6	0	0	0	113.7	F328 I330 I333 M347 P348 V349 K404	F328-F351 HydrophobicContact CB-CE2 4.4Å; F328-F351 HydrophobicContact CB-CZ 3.81Å; F328-F351 WeakPolarHBondContact O-CZ 3.45Å; I330-F351 HydrophobicContact CB-CE1 4.41Å; I330-F351 HydrophobicContact CD1-CD1 3.93Å; I330-F351 HydrophobicContact CD1-CE1 4.17Å; I330-F351 HydrophobicContact CG1-CD1 3.43Å; I330-F351 VanDerWaalsContact CG1-CD1 3.43Å; I330-F351 HydrophobicContact CG1-CE1 3.27Å; I330-F351 HydrophobicContact CG1-CG 4.18Å; I330-F351 HydrophobicContact CG1-CZ 3.92Å; I333-F351 HydrophobicContact CD1-CD2 3.8Å; I333-F351 HydrophobicContact CD1-CE2 3.28Å; I333-F351 HydrophobicContact CD1-CZ 4.18Å; M347-F351 HydrophobicContact CE-CB 3.8Å; M347-F351 HydrophobicContact CE-CD2 4.12Å; M347-F351 HydrophobicContact CE-CG 4Å; P348-F351 HydrophobicContact CB-CD2 4.4Å; P348-F351 PolarHBondContact O-N 2.84Å; V349-F351 PolarHBondContact O-N 2.81Å; F351-K404 WeakPolarHBondContact O-CB 3.34Å; F351-K404 PolarHBondContact O-N 3.38Å
352	N	90.4	Very high	80.9	Confident	2 Å²	2	28.8 Å²	28.8	1%	0.011	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	175.3	171.9	-76.4	110	0	0	0	112.6	R325 V349 K404 P405 F406 M661 K673	R325-N352 PolarHBondContact NH2-O 3Å; V349-N352 WeakPolarHBondContact O-CA 3.49Å; V349-N352 VanDerWaalsContact O-CB 3.29Å; V349-N352 WeakPolarHBondContact O-CB 3.18Å; V349-N352 PolarHBondContact O-N 3Å; N352-K404 CarbonylContact C-O 3.38Å; N352-K404 WeakPolarHBondContact CA-O 3.47Å; N352-K404 WeakPolarHBondContact CB-O 3.22Å; N352-K404 PolarHBondContact ND2-O 2.81Å; N352-P405 PolarHBondContact ND2-O 2.78Å; N352-F406 HydrophobicContact CB-CD2 4.09Å; N352-F406 HydrophobicContact CB-CE2 3.75Å; N352-F406 HydrophobicContact CB-CZ 4.12Å; N352-M661 HydrophobicContact CB-CE 3.93Å; N352-M661 HydrophobicContact CB-SD 3.8Å; N352-M661 WeakPolarHBondContact O-CE 3.43Å; N352-K673 PolarHBondContact OD1-NZ 2.66Å
353	E	94.4	Very high	83.4	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	156.4	158	63.8	-172.8	-179.6	0	0	107.4	L355 R360 R401 K404 F406 Y627 F629	E353-L355 HydrophobicContact CG-CB 4.41Å; E353-L355 PolarHBondContact O-N 3.12Å; E353-R360 IonicContact OE1-CZ 3.56Å; E353-R360 IonicContact OE1-NE 3.72Å; E353-R360 PolarHBondContact OE1-NE 3.3Å; E353-R360 IonicContact OE1-NH2 2.69Å; E353-R360 PolarHBondContact OE1-NH2 3.46Å; E353-R360 IonicContact OE2-CZ 2.73Å; E353-R360 IonicContact OE2-NE 3.35Å; E353-R360 IonicContact OE2-NH2 3.45Å; E353-R360 PolarHBondContact OE2-NH2 3.17Å; E353-R401 IonicContact OE1-NH2 2.71Å; E353-R401 PolarHBondContact OE1-NH2 3.14Å; E353-R401 IonicContact OE2-CZ 3.44Å; E353-R401 IonicContact OE2-NE 3.9Å; E353-R401 PolarHBondContact OE2-NE 2.9Å; E353-R401 IonicContact OE2-NH2 3.25Å; E353-R401 PolarHBondContact OE2-NH2 3.22Å; E353-K404 PolarHBondContact N-O 2.81Å; E353-F406 WeakPolarHBondContact O-CD2 3.49Å; E353-F406 VanDerWaalsContact O-CE2 3.22Å; E353-F406 WeakPolarHBondContact O-CE2 3.4Å; E353-Y627 HydrophobicContact CB-CD1 4.15Å; E353-Y627 HydrophobicContact CB-CG 4.38Å; E353-F629 HydrophobicContact CB-CE1 3.99Å; E353-F629 HydrophobicContact CB-CZ 4.07Å; E353-F629 HydrophobicContact CG-CE1 4.33Å; E353-F629 HydrophobicContact CG-CZ 4.37Å; E353-F629 WeakPolarHBondContact OE2-CE1 3.35Å
354	P	97.1	Very high	86	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	52.6	-177.5	32.8	-37.5	0	0	0	113.1	L318 Y627 F629 I658 M661 E662	L318-P354 HydrophobicContact CD1-CG 3.84Å; P354-Y627 VanDerWaalsContact CD-CD2 3.47Å; P354-Y627 HydrophobicContact CG-CD2 3.81Å; P354-Y627 HydrophobicContact CG-CE2 3.58Å; P354-F629 HydrophobicContact CG-CE2 4.31Å; P354-F629 HydrophobicContact CG-CZ 4.17Å; P354-I658 VanDerWaalsContact C-CG2 3.5Å; P354-I658 HydrophobicContact CB-CG2 4.46Å; P354-I658 WeakPolarHBondContact O-CG2 3.36Å; P354-M661 HydrophobicContact CB-CB 4.49Å; P354-M661 HydrophobicContact CB-CG 4.41Å; P354-E662 HydrophobicContact CB-CB 3.73Å; P354-E662 HydrophobicContact CB-CG 3.96Å; P354-E662 HydrophobicContact CG-CB 4.44Å; P354-E662 HydrophobicContact CG-CG 4.23Å
355	L	98.2	Very high	88.3	Confident	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	141.8	171.7	-68.4	176.2	0	0	0	110.8	E353 Q359 P405 F406 F629 A633 L636 N637	E353-L355 HydrophobicContact CG-CB 4.41Å; E353-L355 PolarHBondContact O-N 3.12Å; L355-Q359 VanDerWaalsContact CA-OE1 3.31Å; L355-Q359 HydrophobicContact CB-CB 4.18Å; L355-Q359 HydrophobicContact CD2-CB 4Å; L355-Q359 HydrophobicContact CD2-CG 4.37Å; L355-P405 CarbonylContact O-C 3.58Å; L355-P405 VanDerWaalsContact O-CA 3.29Å; L355-P405 WeakPolarHBondContact O-CA 3.28Å; L355-P405 WeakPolarHBondContact O-CB 3.46Å; L355-F406 PolarHBondContact O-N 3.12Å; L355-F629 HydrophobicContact CD1-CD2 4.37Å; L355-F629 HydrophobicContact CD1-CE1 4.11Å; L355-F629 HydrophobicContact CD1-CE2 3.67Å; L355-F629 HydrophobicContact CD1-CZ 3.52Å; L355-F629 HydrophobicContact CD2-CE2 4.46Å; L355-F629 HydrophobicContact CG-CE2 3.8Å; L355-F629 HydrophobicContact CG-CZ 3.66Å; L355-A633 HydrophobicContact CD1-CB 4.46Å; L355-L636 HydrophobicContact CD1-CD1 4.26Å; L355-L636 HydrophobicContact CD2-CB 3.95Å; L355-N637 HydrophobicContact CD2-CB 3.77Å
356	S	98.1	Very high	90.4	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	154.4	166.9	174	0	0	0	0	110.7	L358 Q359 R360 E412 C652	S356-L358 PolarHBondContact O-N 2.92Å; S356-L358 PolarHBondContact OG-N 3.48Å; S356-Q359 WeakPolarHBondContact O-CB 3.43Å; S356-Q359 PolarHBondContact O-N 3.03Å; S356-R360 PolarHBondContact O-N 3.43Å; S356-E412 WeakPolarHBondContact CB-OE1 3.38Å; S356-E412 PolarHBondContact OG-OE1 3.07Å; S356-C652 VanDerWaalsContact CB-SG 3.57Å
357	F	97.3	Very high	92.3	Very high	35 Å²	35	10.5 Å²	10.5	15%	0.154	5%	0.052	C	C	.	.	H	α-helix	trans	-60.9	-25.8	172.4	-175.2	-122.4	0	0	0	112.3	Q359 R360 L361 P405 F406 P408 S437 I454 P456	F357-Q359 VanDerWaalsContact C-N 3.34Å; F357-R360 HydrophobicContact CD2-CB 4.24Å; F357-R360 HydrophobicContact CD2-CG 4.38Å; F357-R360 PolarHBondContact O-N 3.35Å; F357-L361 HydrophobicContact CD1-CD1 4.08Å; F357-L361 HydrophobicContact CD1-CG 4.46Å; F357-L361 HydrophobicContact CE1-CD1 3.76Å; F357-L361 HydrophobicContact CE1-CD2 4.38Å; F357-L361 HydrophobicContact CE1-CG 4.11Å; F357-L361 HydrophobicContact CE2-CD2 4.3Å; F357-L361 HydrophobicContact CE2-CG 4.23Å; F357-L361 HydrophobicContact CZ-CD1 4.13Å; F357-L361 HydrophobicContact CZ-CD2 3.91Å; F357-L361 HydrophobicContact CZ-CG 3.99Å; F357-L361 WeakPolarHBondContact O-CG 3.21Å; F357-L361 PolarHBondContact O-N 2.82Å; F357-P405 HydrophobicContact CB-CB 4.26Å; F357-P405 HydrophobicContact CB-CG 4.24Å; F357-P405 HydrophobicContact CD2-CG 3.83Å; F357-P405 HydrophobicContact CG-CG 4.5Å; F357-F406 PolarHBondContact N-O 2.85Å; F357-P408 HydrophobicContact CB-CG 3.81Å; F357-S437 VanDerWaalsContact CD1-OG 3.32Å; F357-S437 WeakPolarHBondContact CD1-OG 3.45Å; F357-I454 HydrophobicContact CE1-CG2 4.21Å; F357-I454 HydrophobicContact CZ-CG2 3.9Å; F357-P456 HydrophobicContact CE1-CG 3.93Å; F357-P456 HydrophobicContact CZ-CB 4.35Å; F357-P456 HydrophobicContact CZ-CG 3.95Å
358	L	98.6	Very high	93.9	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-63.8	-39.2	172.3	-55.4	-173.1	0	0	0	112.2	S356 T362 P408 E412	S356-L358 PolarHBondContact O-N 2.92Å; S356-L358 PolarHBondContact OG-N 3.48Å; L358-T362 PolarHBondContact O-N 3.13Å; L358-T362 PolarHBondContact O-OG1 3.07Å; L358-P408 HydrophobicContact CD1-CB 4.39Å; L358-P408 HydrophobicContact CD2-CB 4.38Å; L358-P408 HydrophobicContact CD2-CG 4.04Å; L358-P408 HydrophobicContact CG-CB 4.08Å; L358-P408 HydrophobicContact CG-CG 3.85Å; L358-E412 HydrophobicContact CD1-CB 4.32Å; L358-E412 HydrophobicContact CD1-CG 3.97Å; L358-E412 WeakPolarHBondContact CD1-O 3.47Å
359	Q	98.7	Very high	95.1	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-69.2	-45.4	172.8	-73	161.8	-30.3	0	0	110.8	L355 S356 F357 L361 T362 E363 Y414 L636 N637	L355-Q359 VanDerWaalsContact CA-OE1 3.31Å; L355-Q359 HydrophobicContact CB-CB 4.18Å; L355-Q359 HydrophobicContact CD2-CB 4Å; L355-Q359 HydrophobicContact CD2-CG 4.37Å; S356-Q359 WeakPolarHBondContact O-CB 3.43Å; S356-Q359 PolarHBondContact O-N 3.03Å; F357-Q359 VanDerWaalsContact C-N 3.34Å; Q359-L361 PolarHBondContact O-N 2.97Å; Q359-T362 WeakPolarHBondContact O-CA 3.27Å; Q359-T362 VanDerWaalsContact O-CB 3.32Å; Q359-T362 WeakPolarHBondContact O-CB 3.4Å; Q359-T362 PolarHBondContact O-N 3.35Å; Q359-E363 PolarHBondContact O-N 3.38Å; Q359-Y414 HydrophobicContact CB-CE1 4.49Å; Q359-Y414 HydrophobicContact CG-CD1 3.88Å; Q359-Y414 HydrophobicContact CG-CD2 3.6Å; Q359-Y414 HydrophobicContact CG-CE1 3.78Å; Q359-Y414 HydrophobicContact CG-CE2 3.47Å; Q359-Y414 VanDerWaalsContact CG-CE2 3.47Å; Q359-Y414 HydrophobicContact CG-CG 3.79Å; Q359-L636 HydrophobicContact CB-CB 4.23Å; Q359-L636 HydrophobicContact CB-CD1 4.11Å; Q359-L636 HydrophobicContact CG-CB 4.21Å; Q359-L636 PolarHBondContact NE2-O 3.04Å; Q359-L636 WeakPolarHBondContact O-CD1 3.37Å; Q359-N637 PolarHBondContact NE2-OD1 3.41Å
360	R	96.9	Very high	95.9	Very high	15 Å²	15	11.5 Å²	11.5	6%	0.057	5%	0.049	C	C	.	.	H	α-helix	trans	-57.7	-32.4	175.8	-178.5	70.6	89.9	115.5	-8.6	112.8	E353 S356 F357 E363 R401 G403 P405	E353-R360 IonicContact OE1-CZ 3.56Å; E353-R360 IonicContact OE1-NE 3.72Å; E353-R360 PolarHBondContact OE1-NE 3.3Å; E353-R360 IonicContact OE1-NH2 2.69Å; E353-R360 PolarHBondContact OE1-NH2 3.46Å; E353-R360 IonicContact OE2-CZ 2.73Å; E353-R360 IonicContact OE2-NE 3.35Å; E353-R360 IonicContact OE2-NH2 3.45Å; E353-R360 PolarHBondContact OE2-NH2 3.17Å; S356-R360 PolarHBondContact O-N 3.43Å; F357-R360 HydrophobicContact CD2-CB 4.24Å; F357-R360 HydrophobicContact CD2-CG 4.38Å; F357-R360 PolarHBondContact O-N 3.35Å; R360-E363 WeakPolarHBondContact CD-OE1 3.38Å; R360-R401 VanDerWaalsContact NE-NH2 3.2Å; R360-R401 PolarHBondContact NH2-O 3.03Å; R360-R401 VanDerWaalsContact NH2-O 3.15Å; R360-G403 PolarHBondContact NH2-O 2.71Å; R360-P405 HydrophobicContact CB-CB 4.07Å; R360-P405 HydrophobicContact CB-CG 4.16Å; R360-P405 HydrophobicContact CG-CG 4.17Å
361	L	96.6	Very high	96.7	Very high	4 Å²	4	10.4 Å²	10.4	2%	0.021	4%	0.044	C	C	.	.	H	α-helix	trans	-73.8	-31.6	172.4	-72.7	172.1	0	0	0	113.1	F357 Q359 E363 Y364 S437 I454	F357-L361 HydrophobicContact CD1-CD1 4.08Å; F357-L361 HydrophobicContact CD1-CG 4.46Å; F357-L361 HydrophobicContact CE1-CD1 3.76Å; F357-L361 HydrophobicContact CE1-CD2 4.38Å; F357-L361 HydrophobicContact CE1-CG 4.11Å; F357-L361 HydrophobicContact CE2-CD2 4.3Å; F357-L361 HydrophobicContact CE2-CG 4.23Å; F357-L361 HydrophobicContact CZ-CD1 4.13Å; F357-L361 HydrophobicContact CZ-CD2 3.91Å; F357-L361 HydrophobicContact CZ-CG 3.99Å; F357-L361 WeakPolarHBondContact O-CG 3.21Å; F357-L361 PolarHBondContact O-N 2.82Å; Q359-L361 PolarHBondContact O-N 2.97Å; L361-E363 PolarHBondContact O-N 2.77Å; L361-Y364 HydrophobicContact CD2-CE1 4.46Å; L361-Y364 HydrophobicContact CD2-CE2 3.87Å; L361-Y364 WeakPolarHBondContact O-CB 3.47Å; L361-Y364 PolarHBondContact O-N 2.85Å; L361-Y364 VanDerWaalsContact O-N 3.16Å; L361-S437 VanDerWaalsContact CD1-CB 3.49Å; L361-I454 HydrophobicContact CD1-CB 4.42Å; L361-I454 HydrophobicContact CD2-CB 4.11Å; L361-I454 HydrophobicContact CD2-CG1 3.9Å; L361-I454 HydrophobicContact CD2-CG2 4.25Å
362	T	98.6	Very high	97.5	Very high	1 Å²	1	12 Å²	12	1%	0.006	5%	0.051	C	C	.	.	H	α-helix	trans	-65.8	-23	178.4	-60.5	0	0	0	0	112.6	L358 Q359 Y364 M365 Y414 L416 L425 F632 L636	L358-T362 PolarHBondContact O-N 3.13Å; L358-T362 PolarHBondContact O-OG1 3.07Å; Q359-T362 WeakPolarHBondContact O-CA 3.27Å; Q359-T362 VanDerWaalsContact O-CB 3.32Å; Q359-T362 WeakPolarHBondContact O-CB 3.4Å; Q359-T362 PolarHBondContact O-N 3.35Å; T362-Y364 PolarHBondContact O-N 3.03Å; T362-Y364 VanDerWaalsContact O-N 3.08Å; T362-M365 WeakPolarHBondContact O-CB 3.35Å; T362-M365 PolarHBondContact O-N 2.79Å; T362-Y414 HydrophobicContact CG2-CE1 3.97Å; T362-Y414 WeakPolarHBondContact OG1-CD1 3.3Å; T362-Y414 WeakPolarHBondContact OG1-CE1 3.44Å; T362-L416 HydrophobicContact CG2-CB 4.07Å; T362-L416 HydrophobicContact CG2-CD2 3.45Å; T362-L416 VanDerWaalsContact CG2-CD2 3.45Å; T362-L416 HydrophobicContact CG2-CG 4.41Å; T362-L425 HydrophobicContact CG2-CD1 4.11Å; T362-L425 HydrophobicContact CG2-CD2 4.25Å; T362-L425 WeakPolarHBondContact OG1-CD2 3.36Å; T362-F632 HydrophobicContact CG2-CE1 4.45Å; T362-F632 HydrophobicContact CG2-CZ 4.44Å; T362-L636 HydrophobicContact CG2-CD2 3.9Å
363	E	98.3	Very high	97.9	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	7%	0.072	C	C	.	.	G	3₁₀ helix	trans	-58.6	-17.7	172.4	-62.1	176.7	-147	0	0	114.1	Q359 R360 L361 M365 E366 S397 R401 F632 L636	Q359-E363 PolarHBondContact O-N 3.38Å; R360-E363 WeakPolarHBondContact CD-OE1 3.38Å; L361-E363 PolarHBondContact O-N 2.77Å; E363-M365 PolarHBondContact O-N 2.57Å; E363-E366 WeakPolarHBondContact O-CB 2.98Å; E363-E366 PolarHBondContact O-N 3.2Å; E363-S397 VanDerWaalsContact OE2-CB 3.27Å; E363-S397 WeakPolarHBondContact OE2-CB 3.42Å; E363-S397 PolarHBondContact OE2-OG 3.04Å; E363-R401 IonicContact OE1-CZ 2.76Å; E363-R401 IonicContact OE1-NH1 3.87Å; E363-R401 PolarHBondContact OE1-NH1 3.49Å; E363-R401 IonicContact OE1-NH2 3.51Å; E363-R401 PolarHBondContact OE1-NH2 3.37Å; E363-R401 IonicContact OE2-CZ 3.28Å; E363-R401 IonicContact OE2-NH1 2.85Å; E363-R401 PolarHBondContact OE2-NH1 3.47Å; E363-F632 HydrophobicContact CG-CD1 4.39Å; E363-L636 HydrophobicContact CG-CD1 3.72Å
364	Y	98.5	Very high	98	Very high	18 Å²	18	16.5 Å²	16.5	7%	0.071	7%	0.072	C	C	.	.	G	3₁₀ helix	trans	-55.5	-24.2	169.4	-65.7	-0.9	0	0	0	111.9	L361 T362 F390 A394 V395 F439 F450 I473 N488	L361-Y364 HydrophobicContact CD2-CE1 4.46Å; L361-Y364 HydrophobicContact CD2-CE2 3.87Å; L361-Y364 WeakPolarHBondContact O-CB 3.47Å; L361-Y364 PolarHBondContact O-N 2.85Å; L361-Y364 VanDerWaalsContact O-N 3.16Å; T362-Y364 PolarHBondContact O-N 3.03Å; T362-Y364 VanDerWaalsContact O-N 3.08Å; Y364-F390 WeakPolarHBondContact O-CE2 3.48Å; Y364-F390 WeakPolarHBondContact O-CZ 3.29Å; Y364-A394 HydrophobicContact CD1-CB 4.12Å; Y364-A394 WeakPolarHBondContact CD1-O 3.34Å; Y364-A394 HydrophobicContact CG-CB 4.12Å; Y364-V395 HydrophobicContact CE1-CG1 4.44Å; Y364-F439 HydrophobicContact CD2-CZ 4.37Å; Y364-F439 HydrophobicContact CE2-CE1 4.48Å; Y364-F450 HydrophobicContact CD2-CE1 4.3Å; Y364-F450 HydrophobicContact CD2-CZ 4.13Å; Y364-I473 HydrophobicContact CE2-CD1 4.09Å; Y364-N488 WeakPolarHBondContact CE2-ND2 3.35Å; Y364-N488 PolarHBondContact OH-ND2 3.39Å
365	M	98.6	Very high	98	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	7%	0.073	C	C	.	.	G	3₁₀ helix	trans	-92	2.7	180	-55	-55.8	-76.5	0	0	114.9	T362 E363 H367 T368 I371 F390 F423 L425 A441 F448 F450 F632	T362-M365 WeakPolarHBondContact O-CB 3.35Å; T362-M365 PolarHBondContact O-N 2.79Å; E363-M365 PolarHBondContact O-N 2.57Å; M365-H367 PolarHBondContact O-N 2.81Å; M365-H367 VanDerWaalsContact O-N 3.13Å; M365-T368 WeakPolarHBondContact CA-OG1 3.18Å; M365-T368 HydrophobicContact CE-CG2 4.25Å; M365-T368 VanDerWaalsContact CE-OG1 3.3Å; M365-T368 WeakPolarHBondContact CE-OG1 3.38Å; M365-T368 PolarHBondContact O-N 2.88Å; M365-T368 PolarHBondContact O-OG1 2.99Å; M365-I371 HydrophobicContact CE-CD1 4.43Å; M365-F390 HydrophobicContact SD-CZ 4.24Å; M365-F423 HydrophobicContact CB-CD2 4.41Å; M365-F423 HydrophobicContact CB-CE1 3.85Å; M365-F423 HydrophobicContact CB-CE2 3.71Å; M365-F423 HydrophobicContact CB-CZ 3.39Å; M365-F423 HydrophobicContact CE-CB 4.3Å; M365-F423 HydrophobicContact CE-CD1 4.37Å; M365-F423 HydrophobicContact CE-CD2 3.92Å; M365-F423 HydrophobicContact CE-CE2 4.37Å; M365-F423 HydrophobicContact CE-CG 3.95Å; M365-F423 HydrophobicContact CG-CD2 4.38Å; M365-F423 HydrophobicContact CG-CE2 3.92Å; M365-F423 HydrophobicContact CG-CZ 4.14Å; M365-L425 HydrophobicContact CG-CD1 3.87Å; M365-A441 HydrophobicContact CE-CB 3.84Å; M365-A441 HydrophobicContact SD-CB 4.3Å; M365-F448 HydrophobicContact CE-CE2 3.69Å; M365-F448 HydrophobicContact CE-CZ 3.71Å; M365-F450 HydrophobicContact CE-CD1 4.32Å; M365-F450 HydrophobicContact SD-CD1 3.3Å; M365-F450 WeakPolarHBondContact SD-CD1 2.96Å; M365-F450 HydrophobicContact SD-CE1 3.68Å; M365-F450 HydrophobicContact SD-CG 4.13Å; M365-F632 HydrophobicContact CB-CZ 4.38Å
366	E	98	Very high	97.9	Very high	23 Å²	23	21.2 Å²	21.2	11%	0.107	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-30	178.4	179.9	172.8	-125.9	0	0	112.2	E363 T630 F632	E363-E366 WeakPolarHBondContact O-CB 2.98Å; E363-E366 PolarHBondContact O-N 3.2Å; E366-T630 WeakPolarHBondContact OE1-CB 3.48Å; E366-T630 WeakPolarHBondContact OE1-CG2 3.41Å; E366-T630 PolarHBondContact OE1-OG1 3.36Å; E366-F632 HydrophobicContact CB-CB 4.3Å; E366-F632 HydrophobicContact CB-CD1 4.02Å; E366-F632 HydrophobicContact CB-CD2 4.3Å; E366-F632 HydrophobicContact CB-CE1 4.4Å; E366-F632 HydrophobicContact CB-CG 3.96Å; E366-F632 HydrophobicContact CG-CB 3.79Å; E366-F632 HydrophobicContact CG-CD1 4.45Å; E366-F632 HydrophobicContact CG-CD2 4.41Å; E366-F632 HydrophobicContact CG-CG 3.99Å; E366-F632 VanDerWaalsContact OE1-CB 3.3Å; E366-F632 WeakPolarHBondContact OE1-CB 3.44Å
367	H	98.1	Very high	97.9	Very high	6 Å²	6	22.5 Å²	22.5	3%	0.028	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.3	28.4	-175	-60.5	89.6	0	0	0	113.5	M365 Y369 L370 S393 W614	M365-H367 PolarHBondContact O-N 2.81Å; M365-H367 VanDerWaalsContact O-N 3.13Å; H367-Y369 HydrophobicContact CB-CE1 4.13Å; H367-Y369 AromaticContact CD2-CE1 3.94Å; H367-Y369 PolarHBondContact O-N 2.99Å; H367-L370 HydrophobicContact CB-CD1 4.04Å; H367-L370 WeakPolarHBondContact O-CB 3.33Å; H367-L370 PolarHBondContact O-N 3.47Å; H367-S393 VanDerWaalsContact CB-OG 3.32Å; H367-S393 WeakPolarHBondContact CB-OG 3.45Å; H367-W614 AromaticContact CD2-CD1 3.56Å; H367-W614 AromaticContact CD2-NE1 3.07Å; H367-W614 PolarHBondContact CD2-NE1 3.34Å; H367-W614 AromaticContact CE1-NE1 3.72Å; H367-W614 AromaticContact CG-NE1 3.74Å; H367-W614 AromaticContact NE2-CD1 3.97Å; H367-W614 AromaticContact NE2-CE2 3.97Å; H367-W614 AromaticContact NE2-NE1 3.03Å; H367-W614 PolarHBondContact NE2-NE1 2.84Å
368	T	98.3	Very high	97.8	Very high	1 Å²	1	26 Å²	26	1%	0.006	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-22.6	-179	-67.9	0	0	0	0	115	M365 L370 I371 H372 F423 F448	M365-T368 WeakPolarHBondContact CA-OG1 3.18Å; M365-T368 HydrophobicContact CE-CG2 4.25Å; M365-T368 VanDerWaalsContact CE-OG1 3.3Å; M365-T368 WeakPolarHBondContact CE-OG1 3.38Å; M365-T368 PolarHBondContact O-N 2.88Å; M365-T368 PolarHBondContact O-OG1 2.99Å; T368-L370 PolarHBondContact O-N 3.39Å; T368-L370 VanDerWaalsContact O-N 3.07Å; T368-I371 HydrophobicContact CG2-CD1 4.45Å; T368-I371 WeakPolarHBondContact O-CB 3.42Å; T368-I371 PolarHBondContact O-N 2.98Å; T368-H372 PolarHBondContact O-N 2.86Å; T368-F423 HydrophobicContact CG2-CB 4.43Å; T368-F423 HydrophobicContact CG2-CD1 3.95Å; T368-F423 HydrophobicContact CG2-CG 4.49Å; T368-F448 HydrophobicContact CG2-CE1 3.92Å; T368-F448 HydrophobicContact CG2-CZ 3.79Å
369	Y	98	Very high	97.7	Very high	99 Å²	99	29.2 Å²	29.2	39%	0.388	16%	0.16	S	C	.	.	H	α-helix	trans	-54.6	-28.2	172.8	74.3	-97.6	0	0	0	113.4	H367 I371 H372 Q373	H367-Y369 HydrophobicContact CB-CE1 4.13Å; H367-Y369 AromaticContact CD2-CE1 3.94Å; H367-Y369 PolarHBondContact O-N 2.99Å; Y369-I371 VanDerWaalsContact C-N 3.33Å; Y369-H372 PolarHBondContact O-N 2.94Å; Y369-Q373 WeakPolarHBondContact O-CG 3.25Å; Y369-Q373 PolarHBondContact O-N 3.04Å
370	L	98.7	Very high	97.6	Very high	1 Å²	1	31 Å²	31	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-66.3	-33.9	175.2	-66.1	170	0	0	0	112.1	H367 T368 Q373 A374 A389 F390 W614	H367-L370 HydrophobicContact CB-CD1 4.04Å; H367-L370 WeakPolarHBondContact O-CB 3.33Å; H367-L370 PolarHBondContact O-N 3.47Å; T368-L370 PolarHBondContact O-N 3.39Å; T368-L370 VanDerWaalsContact O-N 3.07Å; L370-Q373 PolarHBondContact O-N 2.84Å; L370-A374 PolarHBondContact O-N 3.23Å; L370-A389 HydrophobicContact CD1-CB 4.21Å; L370-A389 HydrophobicContact CD2-CB 4.33Å; L370-F390 HydrophobicContact CB-CB 3.98Å; L370-F390 HydrophobicContact CB-CD2 4.37Å; L370-F390 HydrophobicContact CD1-CB 4.25Å; L370-W614 HydrophobicContact CD1-CB 4.23Å; L370-W614 HydrophobicContact CD1-CG 4.34Å
371	I	98.6	Very high	97.6	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-67.8	-45	173	-56.3	173.1	0	0	0	109.8	M365 T368 Y369 Q373 A374 N375 F390 F448 L475 L477	M365-I371 HydrophobicContact CE-CD1 4.43Å; T368-I371 HydrophobicContact CG2-CD1 4.45Å; T368-I371 WeakPolarHBondContact O-CB 3.42Å; T368-I371 PolarHBondContact O-N 2.98Å; Y369-I371 VanDerWaalsContact C-N 3.33Å; I371-Q373 VanDerWaalsContact C-N 3.3Å; I371-Q373 PolarHBondContact O-N 3.27Å; I371-A374 WeakPolarHBondContact O-CB 3.46Å; I371-A374 PolarHBondContact O-N 2.65Å; I371-A374 VanDerWaalsContact O-N 3.15Å; I371-N375 PolarHBondContact O-N 3.3Å; I371-F390 HydrophobicContact CD1-CD1 4.38Å; I371-F390 HydrophobicContact CD1-CD2 4.22Å; I371-F390 HydrophobicContact CD1-CE1 3.97Å; I371-F390 HydrophobicContact CD1-CE2 3.8Å; I371-F390 HydrophobicContact CD1-CG 4.5Å; I371-F390 HydrophobicContact CD1-CZ 3.67Å; I371-F390 HydrophobicContact CG1-CD1 4.23Å; I371-F390 HydrophobicContact CG1-CD2 3.93Å; I371-F390 HydrophobicContact CG1-CE1 4.33Å; I371-F390 HydrophobicContact CG1-CE2 4.03Å; I371-F390 HydrophobicContact CG1-CG 4.04Å; I371-F390 HydrophobicContact CG1-CZ 4.25Å; I371-F448 HydrophobicContact CD1-CD2 4.09Å; I371-F448 HydrophobicContact CD1-CE2 3.91Å; I371-F448 HydrophobicContact CD1-CZ 4.26Å; I371-F448 HydrophobicContact CG2-CB 3.6Å; I371-F448 HydrophobicContact CG2-CD1 3.73Å; I371-F448 HydrophobicContact CG2-CD2 3.96Å; I371-F448 HydrophobicContact CG2-CE1 4.37Å; I371-F448 HydrophobicContact CG2-CG 3.49Å; I371-F448 VanDerWaalsContact CG2-CG 3.49Å; I371-L475 HydrophobicContact CD1-CD1 3.92Å; I371-L475 HydrophobicContact CG1-CD1 4.26Å; I371-L475 HydrophobicContact CG1-CD2 4.23Å; I371-L475 HydrophobicContact CG2-CD1 3.96Å; I371-L475 HydrophobicContact CG2-CD2 4.46Å; I371-L477 HydrophobicContact CG2-CD2 3.93Å
372	H	97.9	Very high	97.7	Very high	47 Å²	47	34.3 Å²	34.3	22%	0.218	19%	0.188	C	C	.	.	H	α-helix	trans	-65	-31.8	176.6	-64.2	-51.7	0	0	0	112.8	T368 Y369 N375 S376 L421 D447 F448	T368-H372 PolarHBondContact O-N 2.86Å; Y369-H372 PolarHBondContact O-N 2.94Å; H372-N375 PolarHBondContact O-N 2.94Å; H372-S376 WeakPolarHBondContact O-CB 3.29Å; H372-S376 PolarHBondContact O-N 2.79Å; H372-S376 PolarHBondContact O-OG 2.91Å; H372-L421 PolarHBondContact NE2-O 2.71Å; H372-D447 IonicContact CE1-OD1 2.71Å; H372-D447 IonicContact CE1-OD2 3.84Å; H372-D447 PolarHBondContact CE1-OD2 2.91Å; H372-D447 IonicContact ND1-OD1 2.77Å; H372-D447 IonicContact ND1-OD2 3.63Å; H372-D447 PolarHBondContact ND1-OD2 3.17Å; H372-F448 AromaticContact CE1-CD1 3.94Å; H372-F448 AromaticContact CE1-CE1 3.63Å
373	Q	97.9	Very high	97.7	Very high	96 Å²	96	34.7 Å²	34.7	45%	0.449	19%	0.189	S	C	.	.	H	α-helix	trans	-65.7	-44.3	170	-74.5	177	3.2	0	0	111.8	Y369 L370 I371 N375 S376 S377	Y369-Q373 WeakPolarHBondContact O-CG 3.25Å; Y369-Q373 PolarHBondContact O-N 3.04Å; L370-Q373 PolarHBondContact O-N 2.84Å; I371-Q373 VanDerWaalsContact C-N 3.3Å; I371-Q373 PolarHBondContact O-N 3.27Å; Q373-N375 PolarHBondContact O-N 2.91Å; Q373-S376 WeakPolarHBondContact O-CB 3.49Å; Q373-S376 PolarHBondContact O-N 2.88Å; Q373-S377 PolarHBondContact O-N 3.17Å; Q373-S377 VanDerWaalsContact O-N 3.12Å
374	A	98.1	Very high	97.7	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-58.7	-48.1	172.3	0	0	0	0	0	111.3	L370 I371 S376 S377 R383 C386 V387 L477	L370-A374 PolarHBondContact O-N 3.23Å; I371-A374 WeakPolarHBondContact O-CB 3.46Å; I371-A374 PolarHBondContact O-N 2.65Å; I371-A374 VanDerWaalsContact O-N 3.15Å; A374-S376 PolarHBondContact O-N 3.37Å; A374-S377 PolarHBondContact O-N 3.23Å; A374-S377 VanDerWaalsContact O-N 3.14Å; A374-R383 HydrophobicContact CB-CB 4.38Å; A374-R383 HydrophobicContact CB-CG 4.44Å; A374-R383 VanDerWaalsContact O-CD 3.22Å; A374-R383 WeakPolarHBondContact O-CD 3.18Å; A374-R383 WeakPolarHBondContact O-CG 3.28Å; A374-C386 HydrophobicContact CB-CB 3.73Å; A374-V387 HydrophobicContact CB-CG2 4.19Å; A374-L477 HydrophobicContact CB-CD1 4.02Å
375	N	96.1	Very high	97.7	Very high	6 Å²	6	34.6 Å²	34.6	3%	0.032	19%	0.189	C	C	.	.	H	α-helix	trans	-59.2	-33.6	176.1	-93.6	-25.2	0	0	0	113.3	I371 H372 Q373 D447 K479 H480	I371-N375 PolarHBondContact O-N 3.3Å; H372-N375 PolarHBondContact O-N 2.94Å; Q373-N375 PolarHBondContact O-N 2.91Å; N375-D447 PolarHBondContact ND2-O 2.94Å; N375-D447 PolarHBondContact ND2-OD2 2.86Å; N375-D447 PolarHBondContact OD1-O 3.1Å; N375-K479 WeakPolarHBondContact O-CD 3.49Å; N375-K479 WeakPolarHBondContact O-CE 3.26Å; N375-K479 PolarHBondContact O-NZ 3.04Å; N375-H480 PolarHBondContact O-NE2 2.78Å; N375-H480 VanDerWaalsContact O-NE2 3.08Å
376	S	96.4	Very high	97.7	Very high	93 Å²	93	35.3 Å²	35.3	65%	0.65	19%	0.194	S	C	*	.	H	α-helix	trans	-71.3	-33.5	177.7	-61.2	0	0	0	0	112.9	H372 Q373 A374	H372-S376 WeakPolarHBondContact O-CB 3.29Å; H372-S376 PolarHBondContact O-N 2.79Å; H372-S376 PolarHBondContact O-OG 2.91Å; Q373-S376 WeakPolarHBondContact O-CB 3.49Å; Q373-S376 PolarHBondContact O-N 2.88Å; A374-S376 PolarHBondContact O-N 3.37Å
377	S	97.2	Very high	97.7	Very high	27 Å²	27	34.3 Å²	34.3	19%	0.189	19%	0.189	C	C	.	.			trans	-76.7	136.9	-175.3	-173.6	0	0	0	0	114.4	Q373 A374 D379 E382 R383 H480	Q373-S377 PolarHBondContact O-N 3.17Å; Q373-S377 VanDerWaalsContact O-N 3.12Å; A374-S377 PolarHBondContact O-N 3.23Å; A374-S377 VanDerWaalsContact O-N 3.14Å; S377-D379 PolarHBondContact OG-N 2.84Å; S377-E382 WeakPolarHBondContact OG-CB 3.24Å; S377-R383 PolarHBondContact O-NH1 3.32Å; S377-H480 PolarHBondContact O-CE1 3.09Å; S377-H480 PolarHBondContact O-NE2 3.01Å
378	S	96.4	Very high	97.8	Very high	109 Å²	109	34 Å²	34	76%	0.762	19%	0.188	S	C	*	.	S	Bend	trans	-81.8	-24.6	172	51.6	0	0	0	0	113.9	R383	S378-R383 PolarHBondContact O-NH1 3.08Å
379	D	96.6	Very high	97.8	Very high	68 Å²	68	34 Å²	34	36%	0.364	19%	0.188	S	C	.	.			trans	-85	120.9	-178.8	-177	-8	0	0	0	111.5	S377 I381 E382 R383	S377-D379 PolarHBondContact OG-N 2.84Å; D379-I381 PolarHBondContact O-N 2.98Å; D379-I381 VanDerWaalsContact O-N 3.16Å; D379-I381 WeakPolarHBondContact OD1-CB 3.33Å; D379-I381 PolarHBondContact OD1-N 3.46Å; D379-E382 HydrophobicContact CB-CB 4.19Å; D379-E382 HydrophobicContact CB-CG 4.05Å; D379-E382 PolarHBondContact O-N 2.86Å; D379-R383 WeakPolarHBondContact O-CG 3.45Å; D379-R383 PolarHBondContact O-N 3.14Å
380	P	96.4	Very high	97.8	Very high	38 Å²	38	29.2 Å²	29.2	25%	0.247	17%	0.169	C	C	.	.	H	α-helix	trans	-53.4	-29.9	173.8	-21.7	29.8	0	0	0	114.4	M384 T516	P380-M384 WeakPolarHBondContact O-CB 3.34Å; P380-M384 PolarHBondContact O-N 2.68Å; P380-T516 HydrophobicContact CB-CG2 4.41Å; P380-T516 HydrophobicContact CG-CG2 4.38Å
381	I	97	Very high	97.8	Very high	29 Å²	29	29.3 Å²	29.3	15%	0.149	17%	0.17	C	C	.	.	H	α-helix	trans	-76	-43	-179.1	-52.8	-50.5	0	0	0	111	D379 R383 M384 K385 E518 L549	D379-I381 PolarHBondContact O-N 2.98Å; D379-I381 VanDerWaalsContact O-N 3.16Å; D379-I381 WeakPolarHBondContact OD1-CB 3.33Å; D379-I381 PolarHBondContact OD1-N 3.46Å; I381-R383 VanDerWaalsContact C-N 3.3Å; I381-R383 PolarHBondContact O-N 3.2Å; I381-M384 PolarHBondContact O-N 3.17Å; I381-K385 WeakPolarHBondContact O-CG 3.44Å; I381-K385 PolarHBondContact O-N 2.74Å; I381-E518 HydrophobicContact CD1-CG 3.86Å; I381-L549 HydrophobicContact CD1-CD1 3.49Å; I381-L549 VanDerWaalsContact CD1-CD1 3.49Å; I381-L549 HydrophobicContact CG1-CD1 4.17Å
382	E	97.8	Very high	97.8	Very high	58 Å²	58	29.3 Å²	29.3	27%	0.271	17%	0.17	S	C	.	.	H	α-helix	trans	-64.1	-36.6	170.7	-63.5	-54.7	130	0	0	111.3	S377 D379 K385 C386	S377-E382 WeakPolarHBondContact OG-CB 3.24Å; D379-E382 HydrophobicContact CB-CB 4.19Å; D379-E382 HydrophobicContact CB-CG 4.05Å; D379-E382 PolarHBondContact O-N 2.86Å; E382-K385 VanDerWaalsContact CD-NZ 3.34Å; E382-K385 WeakPolarHBondContact O-CB 3.43Å; E382-K385 PolarHBondContact O-N 3.4Å; E382-K385 WeakPolarHBondContact OE1-CE 3.47Å; E382-K385 IonicContact OE1-NZ 3.67Å; E382-K385 PolarHBondContact OE1-NZ 2.71Å; E382-K385 VanDerWaalsContact OE2-CD 3.31Å; E382-K385 WeakPolarHBondContact OE2-CD 3.4Å; E382-K385 IonicContact OE2-NZ 3.86Å; E382-K385 PolarHBondContact OE2-NZ 2.92Å; E382-C386 PolarHBondContact O-N 2.92Å; E382-C386 PolarHBondContact O-SG 3.37Å; E382-C386 VanDerWaalsContact O-SG 3.33Å
383	R	98.4	Very high	97.8	Very high	9 Å²	9	27.1 Å²	27.1	3%	0.034	16%	0.16	C	C	.	.	H	α-helix	trans	-61.1	-46.7	170.6	-65.7	-160.7	-70.6	-77.4	0.1	111.9	A374 S377 S378 D379 I381 K385 C386 V387 H480 E482 Y484	A374-R383 HydrophobicContact CB-CB 4.38Å; A374-R383 HydrophobicContact CB-CG 4.44Å; A374-R383 VanDerWaalsContact O-CD 3.22Å; A374-R383 WeakPolarHBondContact O-CD 3.18Å; A374-R383 WeakPolarHBondContact O-CG 3.28Å; S377-R383 PolarHBondContact O-NH1 3.32Å; S378-R383 PolarHBondContact O-NH1 3.08Å; D379-R383 WeakPolarHBondContact O-CG 3.45Å; D379-R383 PolarHBondContact O-N 3.14Å; I381-R383 VanDerWaalsContact C-N 3.3Å; I381-R383 PolarHBondContact O-N 3.2Å; R383-K385 VanDerWaalsContact C-N 3.32Å; R383-K385 PolarHBondContact O-N 3.14Å; R383-C386 PolarHBondContact O-N 3.49Å; R383-C386 VanDerWaalsContact O-N 3.16Å; R383-V387 WeakPolarHBondContact O-CG2 3.44Å; R383-V387 PolarHBondContact O-N 3.38Å; R383-H480 PolarHBondContact NH1-CE1 2.7Å; R383-H480 PolarHBondContact NH1-ND1 3.09Å; R383-E482 IonicContact CZ-OE1 2.85Å; R383-E482 IonicContact CZ-OE2 3.45Å; R383-E482 IonicContact NE-OE1 3.03Å; R383-E482 IonicContact NE-OE2 2.79Å; R383-E482 PolarHBondContact NE-OE2 2.99Å; R383-E482 IonicContact NH2-OE1 3.88Å; R383-E482 PolarHBondContact NH2-OE1 3.41Å; R383-E482 IonicContact NH2-OE2 3.67Å; R383-E482 PolarHBondContact NH2-OE2 2.8Å; R383-Y484 WeakPolarHBondContact CB-OH 3.36Å
384	M	98.6	Very high	97.8	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.005	14%	0.139	C	C	.	.	H	α-helix	trans	-61.4	-37.7	176.9	-177.1	62.9	80.9	0	0	112.3	P380 I381 A388 Y484 V511 N513 E518 C520 I541	P380-M384 WeakPolarHBondContact O-CB 3.34Å; P380-M384 PolarHBondContact O-N 2.68Å; I381-M384 PolarHBondContact O-N 3.17Å; M384-A388 WeakPolarHBondContact O-CB 3.42Å; M384-A388 PolarHBondContact O-N 3.32Å; M384-Y484 HydrophobicContact CE-CD1 4.07Å; M384-Y484 HydrophobicContact CE-CE1 3.91Å; M384-Y484 HydrophobicContact SD-CD1 4.19Å; M384-Y484 HydrophobicContact SD-CE1 4.07Å; M384-V511 HydrophobicContact SD-CB 4.27Å; M384-V511 HydrophobicContact SD-CG1 3.91Å; M384-N513 HydrophobicContact CE-CB 3.75Å; M384-E518 HydrophobicContact CE-CB 4.19Å; M384-E518 WeakPolarHBondContact CE-O 3.2Å; M384-C520 HydrophobicContact CG-CB 4.07Å; M384-C520 HydrophobicContact SD-CB 3.79Å; M384-I541 HydrophobicContact CB-CD1 4.16Å; M384-I541 HydrophobicContact CG-CD1 3.8Å; M384-I541 HydrophobicContact CG-CG1 3.79Å; M384-I541 HydrophobicContact CG-CG2 4.06Å
385	K	98.6	Very high	97.6	Very high	16 Å²	16	22.9 Å²	22.9	7%	0.07	14%	0.141	C	C	.	.	H	α-helix	trans	-58.5	-50.1	170.9	-74	172.2	175.8	-178.5	0	111.4	I381 E382 R383 A388 A389 I541 V562 L613	I381-K385 WeakPolarHBondContact O-CG 3.44Å; I381-K385 PolarHBondContact O-N 2.74Å; E382-K385 VanDerWaalsContact CD-NZ 3.34Å; E382-K385 WeakPolarHBondContact O-CB 3.43Å; E382-K385 PolarHBondContact O-N 3.4Å; E382-K385 WeakPolarHBondContact OE1-CE 3.47Å; E382-K385 IonicContact OE1-NZ 3.67Å; E382-K385 PolarHBondContact OE1-NZ 2.71Å; E382-K385 VanDerWaalsContact OE2-CD 3.31Å; E382-K385 WeakPolarHBondContact OE2-CD 3.4Å; E382-K385 IonicContact OE2-NZ 3.86Å; E382-K385 PolarHBondContact OE2-NZ 2.92Å; R383-K385 VanDerWaalsContact C-N 3.32Å; R383-K385 PolarHBondContact O-N 3.14Å; K385-A388 PolarHBondContact O-N 2.93Å; K385-A389 WeakPolarHBondContact O-CB 3.48Å; K385-A389 PolarHBondContact O-N 2.86Å; K385-I541 HydrophobicContact CB-CD1 4.42Å; K385-I541 HydrophobicContact CG-CD1 3.68Å; K385-V562 HydrophobicContact CD-CG1 4.04Å; K385-V562 HydrophobicContact CD-CG2 4.45Å; K385-V562 HydrophobicContact CG-CG2 4.37Å; K385-L613 HydrophobicContact CB-CD1 3.88Å; K385-L613 HydrophobicContact CB-CD2 3.96Å; K385-L613 HydrophobicContact CD-CD2 4.23Å; K385-L613 HydrophobicContact CG-CD1 4.28Å; K385-L613 HydrophobicContact CG-CD2 4.46Å
386	C	98.7	Very high	97.6	Very high	15 Å²	15	22.6 Å²	22.6	10%	0.101	14%	0.139	C	C	.	.	H	α-helix	trans	-63	-42.7	179.3	-67.7	0	0	0	0	112.6	A374 E382 R383 A389 F390	A374-C386 HydrophobicContact CB-CB 3.73Å; E382-C386 PolarHBondContact O-N 2.92Å; E382-C386 PolarHBondContact O-SG 3.37Å; E382-C386 VanDerWaalsContact O-SG 3.33Å; R383-C386 PolarHBondContact O-N 3.49Å; R383-C386 VanDerWaalsContact O-N 3.16Å; C386-A389 PolarHBondContact O-N 3.01Å; C386-F390 WeakPolarHBondContact O-CB 3.42Å; C386-F390 PolarHBondContact O-N 2.77Å
387	V	98.8	Very high	97.4	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.006	11%	0.109	C	C	.	.	H	α-helix	trans	-69.5	-37.9	177.7	179.3	0	0	0	0	111.8	A374 R383 F390 A391 L475 Y484 W486 V511	A374-V387 HydrophobicContact CB-CG2 4.19Å; R383-V387 WeakPolarHBondContact O-CG2 3.44Å; R383-V387 PolarHBondContact O-N 3.38Å; V387-F390 PolarHBondContact O-N 2.86Å; V387-A391 WeakPolarHBondContact O-CB 3.08Å; V387-A391 PolarHBondContact O-N 3.38Å; V387-L475 HydrophobicContact CB-CD2 4.45Å; V387-L475 HydrophobicContact CG1-CD2 3.92Å; V387-L475 HydrophobicContact CG2-CD2 3.76Å; V387-Y484 HydrophobicContact CB-CD1 4.16Å; V387-Y484 HydrophobicContact CB-CE1 4.29Å; V387-Y484 HydrophobicContact CB-CG 4.45Å; V387-Y484 HydrophobicContact CG1-CD1 3.93Å; V387-Y484 HydrophobicContact CG1-CG 3.93Å; V387-Y484 HydrophobicContact CG2-CD1 4.18Å; V387-Y484 HydrophobicContact CG2-CD2 4.17Å; V387-Y484 HydrophobicContact CG2-CE1 4.07Å; V387-Y484 HydrophobicContact CG2-CE2 4.09Å; V387-Y484 HydrophobicContact CG2-CG 4.22Å; V387-W486 HydrophobicContact CG1-CH2 4.44Å; V387-W486 HydrophobicContact CG1-CZ3 3.97Å; V387-V511 HydrophobicContact CG1-CG1 3.88Å
388	A	98.6	Very high	97	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-64.9	-39.1	173.4	0	0	0	0	0	112.2	M384 K385 V392 C520 L522 L552	M384-A388 WeakPolarHBondContact O-CB 3.42Å; M384-A388 PolarHBondContact O-N 3.32Å; K385-A388 PolarHBondContact O-N 2.93Å; A388-V392 WeakPolarHBondContact O-CG2 3.47Å; A388-V392 PolarHBondContact O-N 3.19Å; A388-C520 HydrophobicContact CB-CB 4Å; A388-C520 VanDerWaalsContact CB-SG 3.59Å; A388-L522 HydrophobicContact CB-CD1 4.47Å; A388-L552 HydrophobicContact CB-CD2 3.97Å
389	A	98.8	Very high	96.5	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-64.8	-42.3	172.6	0	0	0	0	0	111.7	L370 K385 C386 V392 S393 L560 L613 W614	L370-A389 HydrophobicContact CD1-CB 4.21Å; L370-A389 HydrophobicContact CD2-CB 4.33Å; K385-A389 WeakPolarHBondContact O-CB 3.48Å; K385-A389 PolarHBondContact O-N 2.86Å; C386-A389 PolarHBondContact O-N 3.01Å; A389-V392 PolarHBondContact O-N 3.05Å; A389-S393 WeakPolarHBondContact O-CB 3.32Å; A389-S393 PolarHBondContact O-N 3.02Å; A389-S393 PolarHBondContact O-OG 3.2Å; A389-L560 HydrophobicContact CB-CD2 4.18Å; A389-L613 HydrophobicContact CB-CB 3.83Å; A389-L613 HydrophobicContact CB-CD1 4.45Å; A389-W614 HydrophobicContact CB-CB 4.04Å
390	F	98.8	Very high	96	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-58.9	-49.4	175.2	178.3	-105.1	0	0	0	111.4	Y364 M365 L370 I371 C386 V387 V392 S393 A394 F450 W486	Y364-F390 WeakPolarHBondContact O-CE2 3.48Å; Y364-F390 WeakPolarHBondContact O-CZ 3.29Å; M365-F390 HydrophobicContact SD-CZ 4.24Å; L370-F390 HydrophobicContact CB-CB 3.98Å; L370-F390 HydrophobicContact CB-CD2 4.37Å; L370-F390 HydrophobicContact CD1-CB 4.25Å; I371-F390 HydrophobicContact CD1-CD1 4.38Å; I371-F390 HydrophobicContact CD1-CD2 4.22Å; I371-F390 HydrophobicContact CD1-CE1 3.97Å; I371-F390 HydrophobicContact CD1-CE2 3.8Å; I371-F390 HydrophobicContact CD1-CG 4.5Å; I371-F390 HydrophobicContact CD1-CZ 3.67Å; I371-F390 HydrophobicContact CG1-CD1 4.23Å; I371-F390 HydrophobicContact CG1-CD2 3.93Å; I371-F390 HydrophobicContact CG1-CE1 4.33Å; I371-F390 HydrophobicContact CG1-CE2 4.03Å; I371-F390 HydrophobicContact CG1-CG 4.04Å; I371-F390 HydrophobicContact CG1-CZ 4.25Å; C386-F390 WeakPolarHBondContact O-CB 3.42Å; C386-F390 PolarHBondContact O-N 2.77Å; V387-F390 PolarHBondContact O-N 2.86Å; F390-V392 VanDerWaalsContact C-N 3.27Å; F390-V392 PolarHBondContact O-N 2.75Å; F390-S393 WeakPolarHBondContact CA-OG 3.36Å; F390-S393 PolarHBondContact O-N 3.39Å; F390-S393 PolarHBondContact O-OG 2.86Å; F390-A394 WeakPolarHBondContact O-CB 3.31Å; F390-A394 PolarHBondContact O-N 2.79Å; F390-F450 AromaticContact CE1-CD2 3.98Å; F390-F450 HydrophobicContact CE1-CD2 3.98Å; F390-F450 AromaticContact CE1-CE2 3.58Å; F390-F450 HydrophobicContact CE1-CE2 3.58Å; F390-F450 AromaticContact CE1-CZ 3.89Å; F390-F450 HydrophobicContact CE1-CZ 3.89Å; F390-F450 HydrophobicContact CZ-CE1 4.4Å; F390-F450 HydrophobicContact CZ-CE2 4.21Å; F390-F450 HydrophobicContact CZ-CZ 4.14Å; F390-W486 AromaticContact CD1-CH2 3.98Å; F390-W486 HydrophobicContact CD1-CH2 3.98Å; F390-W486 HydrophobicContact CD1-CZ2 4.17Å; F390-W486 HydrophobicContact CE1-CH2 4.12Å; F390-W486 HydrophobicContact CE1-CZ2 4.22Å
391	A	98.5	Very high	95.6	Very high	3 Å²	3	15.1 Å²	15.1	3%	0.025	7%	0.071	C	C	.	.	H	α-helix	trans	-60.2	-30.4	178.3	0	0	0	0	0	114	V387 W486 V511	V387-A391 WeakPolarHBondContact O-CB 3.08Å; V387-A391 PolarHBondContact O-N 3.38Å; A391-W486 HydrophobicContact CB-CD2 4.16Å; A391-W486 HydrophobicContact CB-CG 4.47Å; A391-W486 HydrophobicContact CB-CZ2 3.89Å; A391-V511 HydrophobicContact CB-CG2 4.25Å
392	V	98.5	Very high	95.1	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-76.3	-44.9	170.9	175.2	0	0	0	0	111.2	A388 A389 F390 A394 V395 L522 F524 V537 W556 L560 W614	A388-V392 WeakPolarHBondContact O-CG2 3.47Å; A388-V392 PolarHBondContact O-N 3.19Å; A389-V392 PolarHBondContact O-N 3.05Å; F390-V392 VanDerWaalsContact C-N 3.27Å; F390-V392 PolarHBondContact O-N 2.75Å; V392-A394 VanDerWaalsContact C-N 3.32Å; V392-A394 PolarHBondContact O-N 3.28Å; V392-V395 WeakPolarHBondContact O-CG2 3.29Å; V392-V395 PolarHBondContact O-N 3.07Å; V392-L522 HydrophobicContact CG2-CD1 3.68Å; V392-F524 HydrophobicContact CG2-CE2 4.46Å; V392-F524 HydrophobicContact CG2-CZ 3.99Å; V392-V537 HydrophobicContact CG2-CG1 4.35Å; V392-W556 HydrophobicContact CG1-CB 4.04Å; V392-L560 HydrophobicContact CB-CD2 4.32Å; V392-L560 HydrophobicContact CG2-CD2 4.02Å; V392-W614 HydrophobicContact CG1-CE3 4.34Å; V392-W614 HydrophobicContact CG1-CZ3 4.14Å
393	S	98.1	Very high	94.5	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.007	6%	0.064	C	C	.	.	H	α-helix	trans	-65.2	-32.9	-177.3	70.9	0	0	0	0	113.7	H367 A389 F390 V395 A396 W614	H367-S393 VanDerWaalsContact CB-OG 3.32Å; H367-S393 WeakPolarHBondContact CB-OG 3.45Å; A389-S393 WeakPolarHBondContact O-CB 3.32Å; A389-S393 PolarHBondContact O-N 3.02Å; A389-S393 PolarHBondContact O-OG 3.2Å; F390-S393 WeakPolarHBondContact CA-OG 3.36Å; F390-S393 PolarHBondContact O-N 3.39Å; F390-S393 PolarHBondContact O-OG 2.86Å; S393-V395 PolarHBondContact O-N 3.08Å; S393-V395 VanDerWaalsContact O-N 3.16Å; S393-A396 VanDerWaalsContact O-CB 3.26Å; S393-A396 WeakPolarHBondContact O-CB 3.35Å; S393-A396 PolarHBondContact O-N 3.32Å; S393-W614 VanDerWaalsContact CB-NE1 3.29Å
394	A	97.2	Very high	93.9	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.008	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-24.2	178.4	0	0	0	0	0	113	Y364 F390 V392	Y364-A394 HydrophobicContact CD1-CB 4.12Å; Y364-A394 WeakPolarHBondContact CD1-O 3.34Å; Y364-A394 HydrophobicContact CG-CB 4.12Å; F390-A394 WeakPolarHBondContact O-CB 3.31Å; F390-A394 PolarHBondContact O-N 2.79Å; V392-A394 VanDerWaalsContact C-N 3.32Å; V392-A394 PolarHBondContact O-N 3.28Å
395	V	95.3	Very high	93.7	Very high	6 Å²	6	17.6 Å²	17.6	4%	0.036	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.6	10.2	176.9	-58.7	0	0	0	0	113.3	Y364 V392 S393 Q398 P489 Q505 F524	Y364-V395 HydrophobicContact CE1-CG1 4.44Å; V392-V395 WeakPolarHBondContact O-CG2 3.29Å; V392-V395 PolarHBondContact O-N 3.07Å; S393-V395 PolarHBondContact O-N 3.08Å; S393-V395 VanDerWaalsContact O-N 3.16Å; V395-Q398 WeakPolarHBondContact O-CG 3.47Å; V395-P489 HydrophobicContact CG2-CG 4.3Å; V395-Q505 VanDerWaalsContact CB-OE1 3.28Å; V395-Q505 PolarHBondContact O-NE2 2.7Å; V395-F524 HydrophobicContact CG2-CE1 4.01Å; V395-F524 HydrophobicContact CG2-CZ 4.24Å
396	A	94.7	Very high	93.5	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.083	C	C	.	.	G	3₁₀ helix	trans	-72.5	-36.2	-177.6	0	0	0	0	0	113.5	S393 Q398 W556 W614 I616	S393-A396 VanDerWaalsContact O-CB 3.26Å; S393-A396 WeakPolarHBondContact O-CB 3.35Å; S393-A396 PolarHBondContact O-N 3.32Å; A396-Q398 PolarHBondContact O-N 2.99Å; A396-W556 WeakPolarHBondContact CA-O 3.47Å; A396-W556 WeakPolarHBondContact CB-O 3.37Å; A396-W614 HydrophobicContact CB-CH2 3.58Å; A396-W614 HydrophobicContact CB-CZ2 3.41Å; A396-W614 VanDerWaalsContact CB-CZ2 3.41Å; A396-I616 HydrophobicContact CB-CD1 4.07Å; A396-I616 HydrophobicContact CB-CG1 4.38Å
397	S	93.2	Very high	93.2	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.007	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-62.7	-13.5	-175.2	69.2	0	0	0	0	114.5	E363 W399 R401 R619	E363-S397 VanDerWaalsContact OE2-CB 3.27Å; E363-S397 WeakPolarHBondContact OE2-CB 3.42Å; E363-S397 PolarHBondContact OE2-OG 3.04Å; S397-W399 VanDerWaalsContact C-N 3.31Å; S397-W399 PolarHBondContact O-N 3.29Å; S397-R401 WeakPolarHBondContact O-CD 3.47Å; S397-R619 PolarHBondContact O-NH2 2.62Å
398	Q	88.1	Confident	93.1	Very high	28 Å²	28	19.4 Å²	19.4	13%	0.131	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-73.9	-16.7	-172.3	-48.1	-59.7	-73.7	0	0	113.9	V395 A396 R401 I503	V395-Q398 WeakPolarHBondContact O-CG 3.47Å; A396-Q398 PolarHBondContact O-N 2.99Å; Q398-R401 PolarHBondContact O-N 2.78Å; Q398-I503 VanDerWaalsContact O-CD1 3.27Å; Q398-I503 WeakPolarHBondContact O-CD1 3.41Å
399	W	86.8	Confident	92.9	Very high	66 Å²	66	19.6 Å²	19.6	25%	0.25	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	142.8	179.1	178.7	-118.7	0	0	0	111.8	S397 R401 I503 H535 W556 T557 R619	S397-W399 VanDerWaalsContact C-N 3.31Å; S397-W399 PolarHBondContact O-N 3.29Å; W399-R401 PolarHBondContact O-N 3.05Å; W399-I503 WeakPolarHBondContact CZ3-O 3.22Å; W399-H535 AromaticContact CD2-CE1 3.95Å; W399-H535 AromaticContact CE3-CE1 3.43Å; W399-H535 VanDerWaalsContact CE3-CE1 3.43Å; W399-H535 AromaticContact CE3-NE2 3.57Å; W399-H535 AromaticContact CH2-CE1 3.6Å; W399-H535 AromaticContact CH2-NE2 3.97Å; W399-H535 AromaticContact CZ3-CE1 3.24Å; W399-H535 WeakPolarHBondContact CZ3-CE1 3.19Å; W399-H535 AromaticContact CZ3-NE2 3.26Å; W399-H535 VanDerWaalsContact CZ3-NE2 3.26Å; W399-H535 WeakPolarHBondContact CZ3-NE2 3.47Å; W399-W556 HydrophobicContact CB-CH2 4.19Å; W399-W556 HydrophobicContact CB-CZ3 3.91Å; W399-W556 HydrophobicContact CE3-CH2 4.27Å; W399-T557 HydrophobicContact CB-CG2 3.85Å; W399-T557 HydrophobicContact CD2-CG2 4.01Å; W399-T557 HydrophobicContact CE3-CG2 4.25Å; W399-T557 HydrophobicContact CG-CG2 3.81Å; W399-R619 VanDerWaalsContact O-CZ 3.26Å; W399-R619 PolarHBondContact O-NH1 2.82Å; W399-R619 PolarHBondContact O-NH2 3.46Å
400	E	84.9	Confident	92.6	Very high	80 Å²	80	22.1 Å²	22.1	37%	0.374	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	-12.6	-172.4	-62.7	147.1	-172	0	0	116.7	T402 R619	E400-T402 PolarHBondContact O-N 2.71Å; E400-R619 IonicContact OE2-CZ 2.72Å; E400-R619 IonicContact OE2-NH1 2.64Å; E400-R619 PolarHBondContact OE2-NH1 2.84Å
401	R	89.4	Confident	92.4	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.008	12%	0.115	C	C	.	.			trans	-83.2	62.9	-173.1	-74.2	-168.2	60.4	-161.6	-3.5	113.2	E353 R360 E363 S397 Q398 W399 G403 I503 S628	E353-R401 IonicContact OE1-NH2 2.71Å; E353-R401 PolarHBondContact OE1-NH2 3.14Å; E353-R401 IonicContact OE2-CZ 3.44Å; E353-R401 IonicContact OE2-NE 3.9Å; E353-R401 PolarHBondContact OE2-NE 2.9Å; E353-R401 IonicContact OE2-NH2 3.25Å; E353-R401 PolarHBondContact OE2-NH2 3.22Å; R360-R401 VanDerWaalsContact NE-NH2 3.2Å; R360-R401 PolarHBondContact NH2-O 3.03Å; R360-R401 VanDerWaalsContact NH2-O 3.15Å; E363-R401 IonicContact OE1-CZ 2.76Å; E363-R401 IonicContact OE1-NH1 3.87Å; E363-R401 PolarHBondContact OE1-NH1 3.49Å; E363-R401 IonicContact OE1-NH2 3.51Å; E363-R401 PolarHBondContact OE1-NH2 3.37Å; E363-R401 IonicContact OE2-CZ 3.28Å; E363-R401 IonicContact OE2-NH1 2.85Å; E363-R401 PolarHBondContact OE2-NH1 3.47Å; S397-R401 WeakPolarHBondContact O-CD 3.47Å; Q398-R401 PolarHBondContact O-N 2.78Å; W399-R401 PolarHBondContact O-N 3.05Å; R401-G403 PolarHBondContact O-N 3.03Å; R401-I503 VanDerWaalsContact C-CD1 3.44Å; R401-I503 VanDerWaalsContact O-CD1 3.31Å; R401-I503 WeakPolarHBondContact O-CD1 3.29Å; R401-S628 VanDerWaalsContact CD-O 3.32Å; R401-S628 WeakPolarHBondContact CD-O 3.2Å; R401-S628 VanDerWaalsContact CG-O 3.26Å; R401-S628 WeakPolarHBondContact CG-O 3.3Å
402	T	84.6	Confident	92.4	Very high	36 Å²	36	22.4 Å²	22.4	22%	0.221	11%	0.113	C	C	.	.			trans	-66.9	-6.5	178.7	55.2	0	0	0	0	114.3	R325 E400 L501 I503	R325-T402 PolarHBondContact NH1-OG1 2.65Å; E400-T402 PolarHBondContact O-N 2.71Å; T402-L501 HydrophobicContact CG2-CB 3.64Å; T402-I503 HydrophobicContact CG2-CD1 4.35Å; T402-I503 HydrophobicContact CG2-CG1 4.39Å
403	G	85.7	Confident	92.3	Very high	5 Å²	5	22.5 Å²	22.5	5%	0.052	11%	0.114	C	C	.	.	S	Bend	trans	-71.2	137.2	170.6	0	0	0	0	0	111.9	R325 R360 R401	R325-G403 VanDerWaalsContact NH2-CA 3.26Å; R360-G403 PolarHBondContact NH2-O 2.71Å; R401-G403 PolarHBondContact O-N 3.03Å
404	K	87.3	Confident	92.4	Very high	86 Å²	86	22.4 Å²	22.4	37%	0.374	11%	0.113	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	125.8	173.4	-171.7	-172.6	174.4	179.5	0	109.3	M347 F351 N352 E353	M347-K404 HydrophobicContact CB-CD 4.44Å; M347-K404 HydrophobicContact CG-CD 4.08Å; F351-K404 WeakPolarHBondContact O-CB 3.34Å; F351-K404 PolarHBondContact O-N 3.38Å; N352-K404 CarbonylContact C-O 3.38Å; N352-K404 WeakPolarHBondContact CA-O 3.47Å; N352-K404 WeakPolarHBondContact CB-O 3.22Å; N352-K404 PolarHBondContact ND2-O 2.81Å; E353-K404 PolarHBondContact N-O 2.81Å
405	P	93.3	Very high	92.4	Very high	22 Å²	22	22.9 Å²	22.9	14%	0.143	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	152.4	168.7	25.8	-33.8	0	0	0	110.8	N352 L355 F357 R360 N407	N352-P405 PolarHBondContact ND2-O 2.78Å; L355-P405 CarbonylContact O-C 3.58Å; L355-P405 VanDerWaalsContact O-CA 3.29Å; L355-P405 WeakPolarHBondContact O-CA 3.28Å; L355-P405 WeakPolarHBondContact O-CB 3.46Å; F357-P405 HydrophobicContact CB-CB 4.26Å; F357-P405 HydrophobicContact CB-CG 4.24Å; F357-P405 HydrophobicContact CD2-CG 3.83Å; F357-P405 HydrophobicContact CG-CG 4.5Å; R360-P405 HydrophobicContact CB-CB 4.07Å; R360-P405 HydrophobicContact CB-CG 4.16Å; R360-P405 HydrophobicContact CG-CG 4.17Å; P405-N407 PolarHBondContact O-N 2.9Å
406	F	94.4	Very high	92.6	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	137.5	175	-78.6	-105.1	0	0	0	110.3	V349 N352 E353 L355 F357 P408 D657 I658 M661 K673	V349-F406 HydrophobicContact CG1-CZ 4.38Å; N352-F406 HydrophobicContact CB-CD2 4.09Å; N352-F406 HydrophobicContact CB-CE2 3.75Å; N352-F406 HydrophobicContact CB-CZ 4.12Å; E353-F406 WeakPolarHBondContact O-CD2 3.49Å; E353-F406 VanDerWaalsContact O-CE2 3.22Å; E353-F406 WeakPolarHBondContact O-CE2 3.4Å; L355-F406 PolarHBondContact O-N 3.12Å; F357-F406 PolarHBondContact N-O 2.85Å; F406-P408 WeakPolarHBondContact O-CD 3.37Å; F406-D657 VanDerWaalsContact CD1-OD2 3.28Å; F406-D657 WeakPolarHBondContact CD1-OD2 3.44Å; F406-D657 HydrophobicContact CE1-CB 4.01Å; F406-D657 VanDerWaalsContact CE1-OD2 3.25Å; F406-D657 WeakPolarHBondContact CE1-OD2 3.35Å; F406-I658 HydrophobicContact CB-CD1 3.92Å; F406-I658 HydrophobicContact CB-CG1 4.15Å; F406-I658 HydrophobicContact CD1-CG1 4.06Å; F406-I658 HydrophobicContact CD2-CD1 4.24Å; F406-I658 HydrophobicContact CD2-CG1 3.8Å; F406-I658 HydrophobicContact CE1-CG1 4.37Å; F406-I658 HydrophobicContact CE2-CB 4.49Å; F406-I658 HydrophobicContact CE2-CG1 4.12Å; F406-I658 HydrophobicContact CG-CD1 4.09Å; F406-I658 HydrophobicContact CG-CG1 3.76Å; F406-I658 HydrophobicContact CZ-CG1 4.39Å; F406-M661 HydrophobicContact CE2-SD 3.47Å; F406-M661 WeakPolarHBondContact CE2-SD 3.37Å; F406-M661 HydrophobicContact CZ-CB 4.27Å; F406-M661 HydrophobicContact CZ-SD 3.65Å; F406-K673 HydrophobicContact CD1-CD 4.44Å; F406-K673 HydrophobicContact CE1-CD 4.03Å
407	N	92.9	Very high	92.7	Very high	70 Å²	70	25.9 Å²	25.9	37%	0.374	13%	0.133	S	C	.	.	P	Polyproline II helix	trans	-71.2	120.5	174.8	-170.6	29.4	0	0	0	108.3	P405 H432 R655	P405-N407 PolarHBondContact O-N 2.9Å; N407-H432 PolarHBondContact ND2-CE1 3.3Å; N407-R655 PolarHBondContact O-NH1 2.87Å
408	P	95.9	Very high	92.8	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.136	C	C	.	.	P	Polyproline II helix	trans	-67.5	146.7	-175.3	-20.7	34.4	0	0	0	111.8	F357 L358 F406 E412 Q429 H432	F357-P408 HydrophobicContact CB-CG 3.81Å; L358-P408 HydrophobicContact CD1-CB 4.39Å; L358-P408 HydrophobicContact CD2-CB 4.38Å; L358-P408 HydrophobicContact CD2-CG 4.04Å; L358-P408 HydrophobicContact CG-CB 4.08Å; L358-P408 HydrophobicContact CG-CG 3.85Å; F406-P408 WeakPolarHBondContact O-CD 3.37Å; P408-E412 WeakPolarHBondContact CA-OE2 3.28Å; P408-E412 HydrophobicContact CB-CB 4.13Å; P408-E412 HydrophobicContact CB-CG 4.29Å; P408-E412 WeakPolarHBondContact CB-OE1 3.25Å; P408-Q429 HydrophobicContact CB-CB 3.78Å; P408-Q429 HydrophobicContact CB-CG 3.78Å; P408-H432 PolarHBondContact O-ND1 2.86Å
409	L	94.4	Very high	93.2	Very high	4 Å²	4	31.5 Å²	31.5	2%	0.021	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-73.2	151.9	172.3	-52.8	-179.8	0	0	0	110.1	G411 E412 Q429 L676 I736 Y737	L409-G411 PolarHBondContact O-N 3.02Å; L409-G411 VanDerWaalsContact O-N 3.16Å; L409-E412 HydrophobicContact CB-CB 4.27Å; L409-E412 PolarHBondContact N-OE2 3.2Å; L409-E412 WeakPolarHBondContact O-CB 3.41Å; L409-E412 PolarHBondContact O-N 3.27Å; L409-Q429 WeakPolarHBondContact O-CB 3.43Å; L409-Q429 WeakPolarHBondContact O-CG 3.48Å; L409-L676 HydrophobicContact CD1-CB 4.18Å; L409-L676 HydrophobicContact CD1-CD1 4.5Å; L409-L676 HydrophobicContact CD1-CD2 4.1Å; L409-L676 HydrophobicContact CD2-CB 4.45Å; L409-I736 HydrophobicContact CB-CD1 4.49Å; L409-I736 HydrophobicContact CD1-CB 4.26Å; L409-I736 VanDerWaalsContact CD1-O 3.25Å; L409-I736 WeakPolarHBondContact CD1-O 3.23Å; L409-Y737 HydrophobicContact CD1-CD1 3.9Å; L409-Y737 HydrophobicContact CD1-CE1 3.94Å
410	L	93.4	Very high	93.6	Very high	54 Å²	54	33.1 Å²	33.1	28%	0.283	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	114	178.9	-179.7	56.3	0	0	0	111.2	Q429 H432	L410-Q429 WeakPolarHBondContact CD1-O 3.29Å; L410-H432 HydrophobicContact CB-CB 4.16Å
411	G	93.8	Very high	94.1	Very high	9 Å²	9	31.7 Å²	31.7	9%	0.093	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.6	7.7	-170.2	0	0	0	0	0	114.7	L409 Q429	L409-G411 PolarHBondContact O-N 3.02Å; L409-G411 VanDerWaalsContact O-N 3.16Å; G411-Q429 PolarHBondContact N-O 3.41Å; G411-Q429 VanDerWaalsContact N-O 3.11Å
412	E	97.8	Very high	94.5	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.177	C	C	.	.			trans	-62.1	139.4	162	-173.7	174.7	127.8	0	0	109.5	S356 L358 P408 L409 E428 Q429 C652 R655 I736	S356-E412 WeakPolarHBondContact CB-OE1 3.38Å; S356-E412 PolarHBondContact OG-OE1 3.07Å; L358-E412 HydrophobicContact CD1-CB 4.32Å; L358-E412 HydrophobicContact CD1-CG 3.97Å; L358-E412 WeakPolarHBondContact CD1-O 3.47Å; P408-E412 WeakPolarHBondContact CA-OE2 3.28Å; P408-E412 HydrophobicContact CB-CB 4.13Å; P408-E412 HydrophobicContact CB-CG 4.29Å; P408-E412 WeakPolarHBondContact CB-OE1 3.25Å; L409-E412 HydrophobicContact CB-CB 4.27Å; L409-E412 PolarHBondContact N-OE2 3.2Å; L409-E412 WeakPolarHBondContact O-CB 3.41Å; L409-E412 PolarHBondContact O-N 3.27Å; E412-E428 CarbonylContact O-C 3.59Å; E412-E428 WeakPolarHBondContact O-CA 3.49Å; E412-Q429 HydrophobicContact CB-CB 4.36Å; E412-Q429 PolarHBondContact O-N 3.47Å; E412-C652 HydrophobicContact CG-CB 3.99Å; E412-C652 WeakPolarHBondContact OE1-CB 3.39Å; E412-R655 IonicContact OE1-NH1 3.85Å; E412-R655 WeakPolarHBondContact OE2-CD 3.41Å; E412-R655 IonicContact OE2-CZ 2.8Å; E412-R655 IonicContact OE2-NE 2.86Å; E412-R655 IonicContact OE2-NH1 3.2Å; E412-R655 PolarHBondContact OE2-NH1 2.91Å; E412-I736 HydrophobicContact CB-CD1 3.98Å
413	T	98.3	Very high	95.1	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.006	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	162.4	177.4	53.3	0	0	0	0	110.7	S427 E428 T650 D651 C652	T413-S427 CarbonylContact C-O 3.56Å; T413-S427 VanDerWaalsContact CA-O 3.22Å; T413-S427 WeakPolarHBondContact CA-O 3.44Å; T413-E428 HydrophobicContact CG2-CB 4.3Å; T413-E428 HydrophobicContact CG2-CG 4.17Å; T413-T650 PolarHBondContact N-O 3.2Å; T413-T650 VanDerWaalsContact O-O 3.11Å; T413-T650 WeakPolarHBondContact OG1-CB 3.32Å; T413-T650 PolarHBondContact OG1-O 2.87Å; T413-T650 PolarHBondContact OG1-OG1 3.25Å; T413-D651 WeakPolarHBondContact O-CA 3.43Å; T413-D651 PolarHBondContact OG1-N 3.37Å; T413-C652 PolarHBondContact O-N 2.79Å
414	Y	98.8	Very high	95.8	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	127.9	164.8	175.4	-106.8	0	0	0	110.7	Q359 T362 L416 S427 L636 D651 C652 R653	Q359-Y414 HydrophobicContact CB-CE1 4.49Å; Q359-Y414 HydrophobicContact CG-CD1 3.88Å; Q359-Y414 HydrophobicContact CG-CD2 3.6Å; Q359-Y414 HydrophobicContact CG-CE1 3.78Å; Q359-Y414 HydrophobicContact CG-CE2 3.47Å; Q359-Y414 VanDerWaalsContact CG-CE2 3.47Å; Q359-Y414 HydrophobicContact CG-CG 3.79Å; T362-Y414 HydrophobicContact CG2-CE1 3.97Å; T362-Y414 WeakPolarHBondContact OG1-CD1 3.3Å; T362-Y414 WeakPolarHBondContact OG1-CE1 3.44Å; Y414-L416 HydrophobicContact CE1-CB 4.05Å; Y414-S427 PolarHBondContact N-O 3.32Å; Y414-S427 PolarHBondContact O-N 2.78Å; Y414-S427 PolarHBondContact O-OG 2.76Å; Y414-S427 VanDerWaalsContact O-OG 3.05Å; Y414-L636 HydrophobicContact CE1-CD2 4.48Å; Y414-L636 VanDerWaalsContact CE2-O 3.25Å; Y414-L636 WeakPolarHBondContact CE2-O 3.43Å; Y414-L636 WeakPolarHBondContact OH-CA 3.29Å; Y414-L636 WeakPolarHBondContact OH-CD2 3.08Å; Y414-L636 PolarHBondContact OH-O 3.32Å; Y414-D651 WeakPolarHBondContact CA-OD2 3.38Å; Y414-C652 WeakPolarHBondContact CD2-SG 3.43Å; Y414-R653 VanDerWaalsContact CE2-CZ 3.45Å; Y414-R653 PolarHBondContact OH-NH2 3.48Å
415	E	98.4	Very high	96.3	Very high	11 Å²	11	29.7 Å²	29.7	5%	0.051	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	153.9	168.8	71.6	163.2	-149.9	0	0	114.2	L425 I426 I647 D651 R653 Y725 W726 R728	E415-L425 CarbonylContact C-O 3.56Å; E415-L425 VanDerWaalsContact CA-O 3.29Å; E415-L425 WeakPolarHBondContact CA-O 3.44Å; E415-I426 HydrophobicContact CB-CD1 4.43Å; E415-I647 HydrophobicContact CG-CG2 4.39Å; E415-D651 PolarHBondContact N-OD2 3.2Å; E415-R653 VanDerWaalsContact O-CZ 3.3Å; E415-R653 PolarHBondContact O-NH1 2.69Å; E415-R653 PolarHBondContact O-NH2 3.12Å; E415-Y725 HydrophobicContact CB-CE1 3.97Å; E415-Y725 VanDerWaalsContact OE2-CE1 3.24Å; E415-Y725 WeakPolarHBondContact OE2-CE1 3.13Å; E415-Y725 PolarHBondContact OE2-OH 3.05Å; E415-W726 HydrophobicContact CB-CH2 4.22Å; E415-W726 HydrophobicContact CB-CZ3 4.35Å; E415-W726 WeakPolarHBondContact OE2-CZ3 3.12Å; E415-R728 VanDerWaalsContact CD-NH2 3.31Å; E415-R728 IonicContact OE1-CZ 3.74Å; E415-R728 IonicContact OE1-NH1 3.23Å; E415-R728 IonicContact OE1-NH2 2.73Å; E415-R728 PolarHBondContact OE1-NH2 3.26Å; E415-R728 IonicContact OE2-CZ 3.07Å; E415-R728 VanDerWaalsContact OE2-CZ 3.25Å; E415-R728 IonicContact OE2-NH1 3.95Å; E415-R728 PolarHBondContact OE2-NH1 3.49Å; E415-R728 IonicContact OE2-NH2 2.77Å; E415-R728 PolarHBondContact OE2-NH2 3.5Å
416	L	98.1	Very high	96.6	Very high	12 Å²	12	28.6 Å²	28.6	6%	0.063	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	129.4	165.5	-179.5	65.7	0	0	0	110	T362 Y414 R418 F423 R424 L425 F632 L636	T362-L416 HydrophobicContact CG2-CB 4.07Å; T362-L416 HydrophobicContact CG2-CD2 3.45Å; T362-L416 VanDerWaalsContact CG2-CD2 3.45Å; T362-L416 HydrophobicContact CG2-CG 4.41Å; Y414-L416 HydrophobicContact CE1-CB 4.05Å; L416-R418 HydrophobicContact CD1-CG 4.15Å; L416-R418 HydrophobicContact CD2-CG 3.95Å; L416-R418 HydrophobicContact CG-CG 3.9Å; L416-F423 HydrophobicContact CD2-CE2 4.19Å; L416-F423 HydrophobicContact CD2-CZ 3.98Å; L416-R424 CarbonylContact O-C 3.55Å; L416-R424 VanDerWaalsContact O-CA 3.31Å; L416-R424 WeakPolarHBondContact O-CA 3.35Å; L416-L425 PolarHBondContact N-O 3.28Å; L416-L425 PolarHBondContact O-N 2.87Å; L416-F632 HydrophobicContact CD2-CE1 4.5Å; L416-F632 HydrophobicContact CD2-CE2 4.35Å; L416-F632 HydrophobicContact CD2-CZ 3.78Å; L416-L636 HydrophobicContact CD2-CD2 3.84Å
417	V	97.1	Very high	96.8	Very high	56 Å²	56	28.6 Å²	28.6	34%	0.339	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	135.1	167	-175.1	0	0	0	0	108.1	R424 W726	V417-R424 HydrophobicContact CB-CB 4.48Å; V417-R424 HydrophobicContact CG1-CB 4.39Å; V417-R424 HydrophobicContact CG2-CB 4.04Å; V417-W726 HydrophobicContact CG2-CH2 4.3Å; V417-W726 HydrophobicContact CG2-CZ3 4Å
418	R	96.3	Very high	97	Very high	18 Å²	18	25.4 Å²	25.4	7%	0.068	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	88	178.1	-70.4	-64	-65.6	-115.9	5.3	109.7	L416 D420 L421 G422 F423	L416-R418 HydrophobicContact CD1-CG 4.15Å; L416-R418 HydrophobicContact CD2-CG 3.95Å; L416-R418 HydrophobicContact CG-CG 3.9Å; R418-D420 WeakPolarHBondContact CB-OD1 3.27Å; R418-D420 IonicContact CZ-OD1 3.77Å; R418-D420 IonicContact CZ-OD2 3.88Å; R418-D420 IonicContact NE-OD1 2.77Å; R418-D420 PolarHBondContact NE-OD1 3.28Å; R418-D420 IonicContact NE-OD2 3.01Å; R418-D420 IonicContact NH2-OD1 3.61Å; R418-D420 IonicContact NH2-OD2 2.68Å; R418-D420 PolarHBondContact NH2-OD2 2.9Å; R418-D420 PolarHBondContact O-N 2.93Å; R418-L421 HydrophobicContact CB-CB 3.89Å; R418-L421 HydrophobicContact CB-CD1 4.35Å; R418-L421 HydrophobicContact CB-CG 4.28Å; R418-L421 HydrophobicContact CG-CD1 4.32Å; R418-L421 CarbonylContact O-C 3.58Å; R418-L421 PolarHBondContact O-N 2.97Å; R418-G422 PolarHBondContact O-N 2.85Å; R418-F423 HydrophobicContact CB-CD1 4.14Å; R418-F423 HydrophobicContact CB-CE1 3.8Å; R418-F423 HydrophobicContact CB-CZ 4.07Å; R418-F423 HydrophobicContact CG-CE1 4.03Å; R418-F423 HydrophobicContact CG-CZ 3.88Å; R418-F423 PolarHBondContact N-O 2.85Å; R418-F423 PolarHBondContact O-N 2.64Å; R418-F423 VanDerWaalsContact O-N 3.13Å
419	D	95.5	Very high	97.1	Very high	129 Å²	129	25.5 Å²	25.5	69%	0.69	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-31.9	176.7	-63.9	-78.1	0	0	0	112.7	G422 L444	D419-G422 PolarHBondContact O-N 2.87Å; D419-L444 HydrophobicContact CB-CD1 4.44Å; D419-L444 WeakPolarHBondContact OD1-CD1 3.43Å
420	D	95	Very high	97.1	Very high	100 Å²	100	25.6 Å²	25.6	54%	0.535	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-35.7	175.3	69.7	-43.9	0	0	0	113	R418	R418-D420 WeakPolarHBondContact CB-OD1 3.27Å; R418-D420 IonicContact CZ-OD1 3.77Å; R418-D420 IonicContact CZ-OD2 3.88Å; R418-D420 IonicContact NE-OD1 2.77Å; R418-D420 PolarHBondContact NE-OD1 3.28Å; R418-D420 IonicContact NE-OD2 3.01Å; R418-D420 IonicContact NH2-OD1 3.61Å; R418-D420 IonicContact NH2-OD2 2.68Å; R418-D420 PolarHBondContact NH2-OD2 2.9Å; R418-D420 PolarHBondContact O-N 2.93Å
421	L	96.1	Very high	97	Very high	51 Å²	51	24.2 Å²	24.2	27%	0.267	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-0.6	176.3	-56.5	179	0	0	0	113.4	H372 R418 F423 F632	H372-L421 PolarHBondContact NE2-O 2.71Å; R418-L421 HydrophobicContact CB-CB 3.89Å; R418-L421 HydrophobicContact CB-CD1 4.35Å; R418-L421 HydrophobicContact CB-CG 4.28Å; R418-L421 HydrophobicContact CG-CD1 4.32Å; R418-L421 CarbonylContact O-C 3.58Å; R418-L421 PolarHBondContact O-N 2.97Å; L421-F423 HydrophobicContact CB-CD1 3.76Å; L421-F423 HydrophobicContact CB-CE1 3.69Å; L421-F423 HydrophobicContact CD1-CE1 3.92Å; L421-F423 HydrophobicContact CG-CE1 4.46Å; L421-F632 HydrophobicContact CD1-CD2 4.08Å; L421-F632 HydrophobicContact CD1-CE2 3.75Å
422	G	97.3	Very high	96.5	Very high	14 Å²	14	25.2 Å²	25.2	14%	0.144	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.2	20.5	172.3	0	0	0	0	0	116.6	R418 D419 G443 L444	R418-G422 PolarHBondContact O-N 2.85Å; D419-G422 PolarHBondContact O-N 2.87Å; G422-G443 CarbonylContact O-C 3.15Å; G422-G443 WeakPolarHBondContact O-CA 3.49Å; G422-L444 PolarHBondContact O-N 2.78Å
423	F	98.5	Very high	95.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	162.9	-177.1	79	-90.7	0	0	0	114.7	M365 T368 L416 R418 L421 L425 E442 F448 F632	M365-F423 HydrophobicContact CB-CD2 4.41Å; M365-F423 HydrophobicContact CB-CE1 3.85Å; M365-F423 HydrophobicContact CB-CE2 3.71Å; M365-F423 HydrophobicContact CB-CZ 3.39Å; M365-F423 HydrophobicContact CE-CB 4.3Å; M365-F423 HydrophobicContact CE-CD1 4.37Å; M365-F423 HydrophobicContact CE-CD2 3.92Å; M365-F423 HydrophobicContact CE-CE2 4.37Å; M365-F423 HydrophobicContact CE-CG 3.95Å; M365-F423 HydrophobicContact CG-CD2 4.38Å; M365-F423 HydrophobicContact CG-CE2 3.92Å; M365-F423 HydrophobicContact CG-CZ 4.14Å; T368-F423 HydrophobicContact CG2-CB 4.43Å; T368-F423 HydrophobicContact CG2-CD1 3.95Å; T368-F423 HydrophobicContact CG2-CG 4.49Å; L416-F423 HydrophobicContact CD2-CE2 4.19Å; L416-F423 HydrophobicContact CD2-CZ 3.98Å; R418-F423 HydrophobicContact CB-CD1 4.14Å; R418-F423 HydrophobicContact CB-CE1 3.8Å; R418-F423 HydrophobicContact CB-CZ 4.07Å; R418-F423 HydrophobicContact CG-CE1 4.03Å; R418-F423 HydrophobicContact CG-CZ 3.88Å; R418-F423 PolarHBondContact N-O 2.85Å; R418-F423 PolarHBondContact O-N 2.64Å; R418-F423 VanDerWaalsContact O-N 3.13Å; L421-F423 HydrophobicContact CB-CD1 3.76Å; L421-F423 HydrophobicContact CB-CE1 3.69Å; L421-F423 HydrophobicContact CD1-CE1 3.92Å; L421-F423 HydrophobicContact CG-CE1 4.46Å; F423-L425 HydrophobicContact CD2-CB 4.34Å; F423-L425 HydrophobicContact CE2-CB 4.16Å; F423-E442 WeakPolarHBondContact CA-O 3.4Å; F423-F448 HydrophobicContact CB-CE1 4.35Å; F423-F448 HydrophobicContact CB-CZ 3.79Å; F423-F632 HydrophobicContact CZ-CE2 4.35Å; F423-F632 HydrophobicContact CZ-CZ 4.21Å
424	R	98.4	Very high	95.1	Very high	71 Å²	71	33.4 Å²	33.4	27%	0.268	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	149.6	160.1	66.1	-177.3	-172.9	-168.9	-4.6	110.8	L416 V417 A441 E442 L444 W726	L416-R424 CarbonylContact O-C 3.55Å; L416-R424 VanDerWaalsContact O-CA 3.31Å; L416-R424 WeakPolarHBondContact O-CA 3.35Å; V417-R424 HydrophobicContact CB-CB 4.48Å; V417-R424 HydrophobicContact CG1-CB 4.39Å; V417-R424 HydrophobicContact CG2-CB 4.04Å; R424-A441 CarbonylContact O-C 3.3Å; R424-A441 WeakPolarHBondContact O-CA 3.31Å; R424-A441 WeakPolarHBondContact O-CB 3.38Å; R424-E442 HydrophobicContact CG-CG 3.62Å; R424-E442 IonicContact CZ-OE1 3.31Å; R424-E442 VanDerWaalsContact CZ-OE1 3.31Å; R424-E442 IonicContact CZ-OE2 3.55Å; R424-E442 PolarHBondContact N-O 2.86Å; R424-E442 IonicContact NE-OE1 2.8Å; R424-E442 PolarHBondContact NE-OE1 2.97Å; R424-E442 IonicContact NE-OE2 3.49Å; R424-E442 PolarHBondContact NE-OE2 3.23Å; R424-E442 IonicContact NH2-OE1 2.79Å; R424-E442 PolarHBondContact NH2-OE1 2.86Å; R424-E442 IonicContact NH2-OE2 3.49Å; R424-E442 PolarHBondContact NH2-OE2 3.26Å; R424-E442 PolarHBondContact O-N 2.8Å; R424-L444 HydrophobicContact CB-CD2 4.05Å; R424-L444 HydrophobicContact CG-CD2 4.03Å; R424-W726 HydrophobicContact CB-CH2 3.77Å; R424-W726 HydrophobicContact CB-CZ2 3.82Å; R424-W726 HydrophobicContact CB-CZ3 4.46Å; R424-W726 VanDerWaalsContact CD-CE2 3.48Å; R424-W726 HydrophobicContact CG-CH2 4.03Å; R424-W726 HydrophobicContact CG-CZ2 3.57Å
425	L	98.8	Very high	94.7	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	139.5	-179.3	178.5	153.2	0	0	0	110.3	T362 M365 E415 L416 F423 H440 A441 W726	T362-L425 HydrophobicContact CG2-CD1 4.11Å; T362-L425 HydrophobicContact CG2-CD2 4.25Å; T362-L425 WeakPolarHBondContact OG1-CD2 3.36Å; M365-L425 HydrophobicContact CG-CD1 3.87Å; E415-L425 CarbonylContact C-O 3.56Å; E415-L425 VanDerWaalsContact CA-O 3.29Å; E415-L425 WeakPolarHBondContact CA-O 3.44Å; L416-L425 PolarHBondContact N-O 3.28Å; L416-L425 PolarHBondContact O-N 2.87Å; F423-L425 HydrophobicContact CD2-CB 4.34Å; F423-L425 HydrophobicContact CE2-CB 4.16Å; L425-H440 WeakPolarHBondContact CA-O 3.15Å; L425-A441 HydrophobicContact CB-CB 3.79Å; L425-A441 HydrophobicContact CD1-CB 4Å; L425-A441 HydrophobicContact CG-CB 4.03Å; L425-W726 WeakPolarHBondContact O-CH2 3.47Å
426	I	98.7	Very high	94.5	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	142.2	163.9	176.8	56.5	0	0	0	109.5	E415 F439 H440 F721 Y725 W726	E415-I426 HydrophobicContact CB-CD1 4.43Å; I426-F439 CarbonylContact O-C 3.51Å; I426-F439 WeakPolarHBondContact O-CA 3.35Å; I426-H440 HydrophobicContact CG2-CB 4.38Å; I426-H440 PolarHBondContact N-O 3.48Å; I426-H440 PolarHBondContact O-N 3.05Å; I426-F721 HydrophobicContact CG2-CD2 4.12Å; I426-F721 HydrophobicContact CG2-CE2 3.67Å; I426-F721 HydrophobicContact CG2-CZ 4Å; I426-Y725 HydrophobicContact CB-CD1 3.88Å; I426-Y725 HydrophobicContact CB-CE1 4.09Å; I426-Y725 HydrophobicContact CB-CG 4.36Å; I426-Y725 HydrophobicContact CD1-CD1 3.87Å; I426-Y725 HydrophobicContact CD1-CD2 3.85Å; I426-Y725 HydrophobicContact CD1-CE1 3.48Å; I426-Y725 VanDerWaalsContact CD1-CE1 3.48Å; I426-Y725 HydrophobicContact CD1-CE2 3.46Å; I426-Y725 VanDerWaalsContact CD1-CE2 3.46Å; I426-Y725 HydrophobicContact CD1-CG 4.04Å; I426-Y725 HydrophobicContact CG1-CD1 3.68Å; I426-Y725 HydrophobicContact CG1-CD2 3.95Å; I426-Y725 HydrophobicContact CG1-CE1 3.84Å; I426-Y725 HydrophobicContact CG1-CE2 4.1Å; I426-Y725 HydrophobicContact CG1-CG 3.75Å; I426-Y725 HydrophobicContact CG2-CD1 4.42Å; I426-W726 HydrophobicContact CB-CZ2 4.07Å; I426-W726 HydrophobicContact CG2-CZ2 4.18Å
427	S	98.7	Very high	94.5	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	151.3	172	56.2	0	0	0	0	112	T413 Y414 A438	T413-S427 CarbonylContact C-O 3.56Å; T413-S427 VanDerWaalsContact CA-O 3.22Å; T413-S427 WeakPolarHBondContact CA-O 3.44Å; Y414-S427 PolarHBondContact N-O 3.32Å; Y414-S427 PolarHBondContact O-N 2.78Å; Y414-S427 PolarHBondContact O-OG 2.76Å; Y414-S427 VanDerWaalsContact O-OG 3.05Å; S427-A438 CarbonylContact C-O 3.59Å; S427-A438 WeakPolarHBondContact CA-O 3.33Å; S427-A438 VanDerWaalsContact CB-O 3.24Å; S427-A438 WeakPolarHBondContact CB-O 3.22Å
428	E	98.3	Very high	94.6	Very high	3 Å²	3	32.3 Å²	32.3	1%	0.014	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	140.6	-179.9	-175.4	175.7	-163.8	0	0	110.5	E412 T413 V430 A438 P703 R704 W705 F706	E412-E428 CarbonylContact O-C 3.59Å; E412-E428 WeakPolarHBondContact O-CA 3.49Å; T413-E428 HydrophobicContact CG2-CB 4.3Å; T413-E428 HydrophobicContact CG2-CG 4.17Å; E428-V430 VanDerWaalsContact C-N 3.33Å; E428-V430 HydrophobicContact CB-CG1 4.17Å; E428-V430 HydrophobicContact CG-CG1 4.23Å; E428-V430 PolarHBondContact O-N 3.47Å; E428-A438 PolarHBondContact N-O 2.71Å; E428-A438 PolarHBondContact O-N 3.04Å; E428-P703 VanDerWaalsContact OE1-CA 3.23Å; E428-P703 WeakPolarHBondContact OE1-CA 3.19Å; E428-R704 PolarHBondContact OE1-N 3.48Å; E428-R704 PolarHBondContact OE2-N 2.97Å; E428-W705 WeakPolarHBondContact OE2-CB 3.35Å; E428-W705 PolarHBondContact OE2-N 3.2Å; E428-F706 HydrophobicContact CB-CD2 3.65Å; E428-F706 HydrophobicContact CB-CE2 3.8Å; E428-F706 PolarHBondContact OE2-N 2.87Å
429	Q	97.2	Very high	94.7	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	83.7	168.7	-169.6	67.5	19.6	0	0	110.4	P408 L409 L410 G411 E412 S431 V436 S437	P408-Q429 HydrophobicContact CB-CB 3.78Å; P408-Q429 HydrophobicContact CB-CG 3.78Å; L409-Q429 WeakPolarHBondContact O-CB 3.43Å; L409-Q429 WeakPolarHBondContact O-CG 3.48Å; L410-Q429 WeakPolarHBondContact CD1-O 3.29Å; G411-Q429 PolarHBondContact N-O 3.41Å; G411-Q429 VanDerWaalsContact N-O 3.11Å; E412-Q429 HydrophobicContact CB-CB 4.36Å; E412-Q429 PolarHBondContact O-N 3.47Å; Q429-S431 VanDerWaalsContact C-N 3.31Å; Q429-S431 PolarHBondContact NE2-O 2.89Å; Q429-S431 PolarHBondContact O-N 3.23Å; Q429-V436 PolarHBondContact NE2-O 3.23Å; Q429-S437 PolarHBondContact OE1-OG 3.44Å
430	V	94.8	Very high	94.9	Very high	6 Å²	6	26.7 Å²	26.7	4%	0.036	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	-20.4	-173.8	-61.7	0	0	0	0	114.6	E428 V436 A438 P703 F706 W719	E428-V430 VanDerWaalsContact C-N 3.33Å; E428-V430 HydrophobicContact CB-CG1 4.17Å; E428-V430 HydrophobicContact CG-CG1 4.23Å; E428-V430 PolarHBondContact O-N 3.47Å; V430-V436 HydrophobicContact CG2-CB 3.9Å; V430-V436 HydrophobicContact CG2-CG1 3.82Å; V430-V436 WeakPolarHBondContact CG2-O 3.27Å; V430-V436 PolarHBondContact N-O 2.82Å; V430-V436 VanDerWaalsContact N-O 3.1Å; V430-A438 HydrophobicContact CG1-CB 3.65Å; V430-A438 HydrophobicContact CG2-CB 4.09Å; V430-P703 HydrophobicContact CB-CB 4.02Å; V430-P703 HydrophobicContact CB-CG 4.12Å; V430-P703 HydrophobicContact CG1-CB 3.82Å; V430-P703 HydrophobicContact CG1-CG 4.32Å; V430-F706 HydrophobicContact CG1-CB 3.72Å; V430-F706 HydrophobicContact CG1-CD2 4.28Å; V430-F706 HydrophobicContact CG1-CG 4.2Å; V430-W719 HydrophobicContact CB-CD2 3.89Å; V430-W719 HydrophobicContact CB-CE3 3.94Å; V430-W719 HydrophobicContact CB-CG 4.49Å; V430-W719 HydrophobicContact CB-CH2 4.03Å; V430-W719 HydrophobicContact CB-CZ2 3.98Å; V430-W719 HydrophobicContact CB-CZ3 4.03Å; V430-W719 HydrophobicContact CG1-CD2 4.22Å; V430-W719 HydrophobicContact CG1-CE3 4.07Å; V430-W719 HydrophobicContact CG1-CZ3 4.45Å; V430-W719 HydrophobicContact CG2-CD2 3.6Å; V430-W719 VanDerWaalsContact CG2-CE2 3.43Å; V430-W719 HydrophobicContact CG2-CE3 4.19Å; V430-W719 HydrophobicContact CG2-CG 3.82Å; V430-W719 HydrophobicContact CG2-CH2 4.4Å; V430-W719 HydrophobicContact CG2-CZ2 3.85Å
431	S	90.6	Very high	95.1	Very high	26 Å²	26	21.9 Å²	21.9	18%	0.182	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	152.2	173.9	175.2	0	0	0	0	111.7	Q429 H433 P434 P435 V436	Q429-S431 VanDerWaalsContact C-N 3.31Å; Q429-S431 PolarHBondContact NE2-O 2.89Å; Q429-S431 PolarHBondContact O-N 3.23Å; S431-H433 PolarHBondContact OG-N 3.5Å; S431-P434 CarbonylContact C-O 3.53Å; S431-P434 WeakPolarHBondContact CB-O 3.16Å; S431-P434 PolarHBondContact OG-O 3.44Å; S431-P435 WeakPolarHBondContact O-CA 3.07Å; S431-V436 PolarHBondContact N-O 3.06Å; S431-V436 PolarHBondContact O-N 2.59Å
432	H	84.3	Confident	95.2	Very high	30 Å²	30	20.9 Å²	20.9	14%	0.139	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	-18.1	176.5	-161.8	82.7	0	0	0	113.4	N407 P408 L410 P434 Q680	N407-H432 PolarHBondContact ND2-CE1 3.3Å; P408-H432 PolarHBondContact O-ND1 2.86Å; L410-H432 HydrophobicContact CB-CB 4.16Å; H432-P434 CarbonylContact C-O 3.59Å; H432-P434 CarbonylContact O-C 3.49Å; H432-Q680 PolarHBondContact CE1-NE2 2.97Å; H432-Q680 VanDerWaalsContact CE1-NE2 3.29Å; H432-Q680 PolarHBondContact NE2-NE2 3.13Å
433	H	80.3	Confident	95.2	Very high	113 Å²	113	20.3 Å²	20.3	52%	0.523	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-139.7	96.1	174.8	-58.4	-60	0	0	0	111	S431 R684	S431-H433 PolarHBondContact OG-N 3.5Å; H433-R684 VanDerWaalsContact CD2-CZ 3.41Å; H433-R684 PolarHBondContact CD2-NH1 2.64Å; H433-R684 PolarHBondContact NE2-NH1 3.21Å
434	P	86.4	Confident	95.2	Very high	60 Å²	60	23.6 Å²	23.6	39%	0.39	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	cis	-64.1	157.1	-7.5	29.3	-35.6	0	0	0	112	S431 H432 V436 Y455	S431-P434 CarbonylContact C-O 3.53Å; S431-P434 WeakPolarHBondContact CB-O 3.16Å; S431-P434 PolarHBondContact OG-O 3.44Å; H432-P434 CarbonylContact C-O 3.59Å; H432-P434 CarbonylContact O-C 3.49Å; P434-V436 HydrophobicContact CG-CG2 4.18Å; P434-V436 PolarHBondContact O-N 3.21Å; P434-Y455 HydrophobicContact CB-CD1 4.04Å; P434-Y455 HydrophobicContact CB-CD2 3.95Å; P434-Y455 HydrophobicContact CB-CE1 3.75Å; P434-Y455 HydrophobicContact CB-CE2 3.7Å; P434-Y455 HydrophobicContact CB-CG 4.15Å; P434-Y455 HydrophobicContact CG-CD1 4.37Å; P434-Y455 HydrophobicContact CG-CE1 4.3Å
435	P	89.6	Confident	95	Very high	36 Å²	36	28.8 Å²	28.8	23%	0.234	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	117.2	172.3	27.9	-33.2	0	0	0	109.4	S431 Y455	S431-P435 WeakPolarHBondContact O-CA 3.07Å; P435-Y455 HydrophobicContact CG-CD2 4.14Å; P435-Y455 HydrophobicContact CG-CE2 4.17Å; P435-Y455 WeakPolarHBondContact O-CA 3.25Å; P435-Y455 VanDerWaalsContact O-CD2 3.24Å; P435-Y455 WeakPolarHBondContact O-CD2 3.26Å
436	V	95.6	Very high	94.9	Very high	18 Å²	18	36.5 Å²	36.5	11%	0.109	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	127.1	175.8	-169.9	0	0	0	0	108.7	Q429 V430 S431 P434 I454	Q429-V436 PolarHBondContact NE2-O 3.23Å; V430-V436 HydrophobicContact CG2-CB 3.9Å; V430-V436 HydrophobicContact CG2-CG1 3.82Å; V430-V436 WeakPolarHBondContact CG2-O 3.27Å; V430-V436 PolarHBondContact N-O 2.82Å; V430-V436 VanDerWaalsContact N-O 3.1Å; S431-V436 PolarHBondContact N-O 3.06Å; S431-V436 PolarHBondContact O-N 2.59Å; P434-V436 HydrophobicContact CG-CG2 4.18Å; P434-V436 PolarHBondContact O-N 3.21Å; V436-I454 WeakPolarHBondContact CA-O 3.27Å
437	S	98.1	Very high	94.7	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.007	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	126.1	172.4	-47	0	0	0	0	108.4	F357 L361 Q429 S453 I454	F357-S437 VanDerWaalsContact CD1-OG 3.32Å; F357-S437 WeakPolarHBondContact CD1-OG 3.45Å; L361-S437 VanDerWaalsContact CD1-CB 3.49Å; Q429-S437 PolarHBondContact OE1-OG 3.44Å; S437-S453 CarbonylContact O-C 3.54Å; S437-S453 WeakPolarHBondContact O-CA 3.33Å; S437-I454 PolarHBondContact N-O 3Å; S437-I454 PolarHBondContact O-N 3.35Å
438	A	98.4	Very high	94.7	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	146.6	173.1	0	0	0	0	0	109.8	S427 E428 V430 F706 W719	S427-A438 CarbonylContact C-O 3.59Å; S427-A438 WeakPolarHBondContact CA-O 3.33Å; S427-A438 VanDerWaalsContact CB-O 3.24Å; S427-A438 WeakPolarHBondContact CB-O 3.22Å; E428-A438 PolarHBondContact N-O 2.71Å; E428-A438 PolarHBondContact O-N 3.04Å; V430-A438 HydrophobicContact CG1-CB 3.65Å; V430-A438 HydrophobicContact CG2-CB 4.09Å; A438-F706 HydrophobicContact CB-CB 4.2Å; A438-F706 HydrophobicContact CB-CD1 3.5Å; A438-F706 HydrophobicContact CB-CD2 4.09Å; A438-F706 HydrophobicContact CB-CE1 3.78Å; A438-F706 HydrophobicContact CB-CE2 4.36Å; A438-F706 HydrophobicContact CB-CG 3.68Å; A438-F706 HydrophobicContact CB-CZ 4.21Å; A438-W719 HydrophobicContact CB-CB 3.67Å; A438-W719 HydrophobicContact CB-CG 4.32Å
439	F	98.8	Very high	94.7	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.009	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	150.3	176.2	69.6	-91	0	0	0	111.4	Y364 I426 F450 H451 G452 I454 I473	Y364-F439 HydrophobicContact CD2-CZ 4.37Å; Y364-F439 HydrophobicContact CE2-CE1 4.48Å; I426-F439 CarbonylContact O-C 3.51Å; I426-F439 WeakPolarHBondContact O-CA 3.35Å; F439-F450 HydrophobicContact CD2-CD1 4.27Å; F439-F450 HydrophobicContact CD2-CE1 4.18Å; F439-F450 AromaticContact CE2-CD1 3.63Å; F439-F450 HydrophobicContact CE2-CD1 3.63Å; F439-F450 AromaticContact CE2-CE1 3.35Å; F439-F450 HydrophobicContact CE2-CE1 3.35Å; F439-F450 HydrophobicContact CE2-CG 4.39Å; F439-F450 AromaticContact CE2-CZ 3.89Å; F439-F450 HydrophobicContact CE2-CZ 3.89Å; F439-F450 AromaticContact CZ-CE1 3.98Å; F439-F450 HydrophobicContact CZ-CE1 3.98Å; F439-F450 HydrophobicContact CZ-CZ 4.1Å; F439-H451 VanDerWaalsContact CE2-C 3.47Å; F439-H451 WeakPolarHBondContact O-CA 3.28Å; F439-H451 WeakPolarHBondContact O-CB 3.48Å; F439-G452 WeakPolarHBondContact CD1-O 3.38Å; F439-G452 PolarHBondContact N-O 2.94Å; F439-G452 PolarHBondContact O-N 3.02Å; F439-G452 VanDerWaalsContact O-N 3.15Å; F439-I454 HydrophobicContact CE1-CG1 4.32Å; F439-I473 HydrophobicContact CE1-CD1 4.04Å; F439-I473 HydrophobicContact CZ-CD1 3.81Å
440	H	98.8	Very high	94.8	Very high	27 Å²	27	39.3 Å²	39.3	13%	0.125	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	124.2	176.1	-177.7	93.4	0	0	0	109.3	L425 I426 V449 H451 F706 F721	L425-H440 WeakPolarHBondContact CA-O 3.15Å; I426-H440 HydrophobicContact CG2-CB 4.38Å; I426-H440 PolarHBondContact N-O 3.48Å; I426-H440 PolarHBondContact O-N 3.05Å; H440-V449 WeakPolarHBondContact CE1-CG1 3.28Å; H440-H451 HydrophobicContact CB-CB 4.4Å; H440-F706 HydrophobicContact CB-CE1 3.85Å; H440-F706 HydrophobicContact CB-CZ 3.94Å; H440-F721 HydrophobicContact CB-CB 3.73Å; H440-F721 HydrophobicContact CB-CD1 4.4Å; H440-F721 HydrophobicContact CB-CD2 4.42Å; H440-F721 HydrophobicContact CB-CG 3.97Å; H440-F721 AromaticContact CD2-CD1 3.39Å; H440-F721 WeakPolarHBondContact CD2-CD1 3.34Å; H440-F721 AromaticContact CD2-CE1 3.91Å; H440-F721 AromaticContact CD2-CG 3.86Å; H440-F721 AromaticContact CE1-CD1 3.94Å; H440-F721 AromaticContact CG-CD1 3.75Å; H440-F721 AromaticContact CG-CG 3.75Å; H440-F721 AromaticContact NE2-CD1 3.54Å
441	A	98.8	Very high	95	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	146.7	175.4	0	0	0	0	0	110.9	M365 R424 L425 V449 F450	M365-A441 HydrophobicContact CE-CB 3.84Å; M365-A441 HydrophobicContact SD-CB 4.3Å; R424-A441 CarbonylContact O-C 3.3Å; R424-A441 WeakPolarHBondContact O-CA 3.31Å; R424-A441 WeakPolarHBondContact O-CB 3.38Å; L425-A441 HydrophobicContact CB-CB 3.79Å; L425-A441 HydrophobicContact CD1-CB 4Å; L425-A441 HydrophobicContact CG-CB 4.03Å; A441-V449 CarbonylContact O-C 3.55Å; A441-V449 WeakPolarHBondContact O-CA 3.27Å; A441-F450 HydrophobicContact CB-CB 4.44Å; A441-F450 HydrophobicContact CB-CD1 4.48Å; A441-F450 PolarHBondContact N-O 2.86Å; A441-F450 PolarHBondContact O-N 2.96Å
442	E	98.3	Very high	95.3	Very high	30 Å²	30	38.2 Å²	38.2	14%	0.14	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	140.1	-178.3	63.7	-165.2	121.2	0	0	109.4	F423 R424 W726	F423-E442 WeakPolarHBondContact CA-O 3.4Å; R424-E442 HydrophobicContact CG-CG 3.62Å; R424-E442 IonicContact CZ-OE1 3.31Å; R424-E442 VanDerWaalsContact CZ-OE1 3.31Å; R424-E442 IonicContact CZ-OE2 3.55Å; R424-E442 PolarHBondContact N-O 2.86Å; R424-E442 IonicContact NE-OE1 2.8Å; R424-E442 PolarHBondContact NE-OE1 2.97Å; R424-E442 IonicContact NE-OE2 3.49Å; R424-E442 PolarHBondContact NE-OE2 3.23Å; R424-E442 IonicContact NH2-OE1 2.79Å; R424-E442 PolarHBondContact NH2-OE1 2.86Å; R424-E442 IonicContact NH2-OE2 3.49Å; R424-E442 PolarHBondContact NH2-OE2 3.26Å; R424-E442 PolarHBondContact O-N 2.8Å; E442-W726 PolarHBondContact OE1-NE1 2.94Å
443	G	98.3	Very high	95.9	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.01	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	135.7	170.7	0	0	0	0	0	109.9	G422 K445 Q446 F448	G422-G443 CarbonylContact O-C 3.15Å; G422-G443 WeakPolarHBondContact O-CA 3.49Å; G443-K445 PolarHBondContact O-N 3.02Å; G443-Q446 WeakPolarHBondContact O-CA 3.27Å; G443-Q446 PolarHBondContact O-N 3.44Å; G443-F448 PolarHBondContact N-O 2.86Å
444	L	97.5	Very high	96.7	Very high	69 Å²	69	32.1 Å²	32.1	36%	0.361	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-15.6	-179.6	-63.8	172.5	0	0	0	112.9	D419 G422 R424	D419-L444 HydrophobicContact CB-CD1 4.44Å; D419-L444 WeakPolarHBondContact OD1-CD1 3.43Å; G422-L444 PolarHBondContact O-N 2.78Å; R424-L444 HydrophobicContact CB-CD2 4.05Å; R424-L444 HydrophobicContact CG-CD2 4.03Å
445	K	96	Very high	97.1	Very high	180 Å²	180	32.5 Å²	32.5	78%	0.783	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.4	9	173.5	-65.5	168.8	-174.8	161.2	0	113	G443 D447	G443-K445 PolarHBondContact O-N 3.02Å; K445-D447 PolarHBondContact O-N 2.89Å
446	Q	95.1	Very high	97.1	Very high	163 Å²	163	32.3 Å²	32.3	76%	0.762	16%	0.157	S	C	*	.	S	Bend	trans	54.9	28.7	-173.2	-59.7	177.5	-15.9	0	0	112.9	G443	G443-Q446 WeakPolarHBondContact O-CA 3.27Å; G443-Q446 PolarHBondContact O-N 3.44Å
447	D	94.9	Very high	96.7	Very high	30 Å²	30	35.6 Å²	35.6	16%	0.16	17%	0.169	C	C	.	.			trans	-87.1	-22.8	-175	68.9	-58.5	0	0	0	113.6	H372 N375 K445 P478	H372-D447 IonicContact CE1-OD1 2.71Å; H372-D447 IonicContact CE1-OD2 3.84Å; H372-D447 PolarHBondContact CE1-OD2 2.91Å; H372-D447 IonicContact ND1-OD1 2.77Å; H372-D447 IonicContact ND1-OD2 3.63Å; H372-D447 PolarHBondContact ND1-OD2 3.17Å; N375-D447 PolarHBondContact ND2-O 2.94Å; N375-D447 PolarHBondContact ND2-OD2 2.86Å; N375-D447 PolarHBondContact OD1-O 3.1Å; K445-D447 PolarHBondContact O-N 2.89Å; D447-P478 WeakPolarHBondContact O-CD 3.5Å
448	F	98.6	Very high	95.9	Very high	1 Å²	1	40.2 Å²	40.2	0%	0.004	19%	0.193	C	C	.	.			trans	-145.3	161	173.5	76.7	-91.2	0	0	0	112.2	M365 T368 I371 H372 F423 G443 F450 L475 E476 L477	M365-F448 HydrophobicContact CE-CE2 3.69Å; M365-F448 HydrophobicContact CE-CZ 3.71Å; T368-F448 HydrophobicContact CG2-CE1 3.92Å; T368-F448 HydrophobicContact CG2-CZ 3.79Å; I371-F448 HydrophobicContact CD1-CD2 4.09Å; I371-F448 HydrophobicContact CD1-CE2 3.91Å; I371-F448 HydrophobicContact CD1-CZ 4.26Å; I371-F448 HydrophobicContact CG2-CB 3.6Å; I371-F448 HydrophobicContact CG2-CD1 3.73Å; I371-F448 HydrophobicContact CG2-CD2 3.96Å; I371-F448 HydrophobicContact CG2-CE1 4.37Å; I371-F448 HydrophobicContact CG2-CG 3.49Å; I371-F448 VanDerWaalsContact CG2-CG 3.49Å; H372-F448 AromaticContact CE1-CD1 3.94Å; H372-F448 AromaticContact CE1-CE1 3.63Å; F423-F448 HydrophobicContact CB-CE1 4.35Å; F423-F448 HydrophobicContact CB-CZ 3.79Å; G443-F448 PolarHBondContact N-O 2.86Å; F448-F450 HydrophobicContact CD2-CB 4.12Å; F448-F450 HydrophobicContact CE2-CB 4.01Å; F448-L475 HydrophobicContact CB-CD1 4.42Å; F448-L475 HydrophobicContact CD2-CD1 4.1Å; F448-E476 WeakPolarHBondContact CA-O 3.38Å; F448-L477 HydrophobicContact CB-CD2 3.99Å
449	V	98.7	Very high	94.9	Very high	31 Å²	31	43 Å²	43	19%	0.188	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	131.7	165.7	-171.7	0	0	0	0	108.8	H440 A441 L475 E476	H440-V449 WeakPolarHBondContact CE1-CG1 3.28Å; A441-V449 CarbonylContact O-C 3.55Å; A441-V449 WeakPolarHBondContact O-CA 3.27Å; V449-L475 WeakPolarHBondContact O-CA 3.44Å; V449-E476 HydrophobicContact CB-CB 4.36Å; V449-E476 PolarHBondContact N-O 3.29Å; V449-E476 PolarHBondContact O-N 2.83Å
450	F	98.8	Very high	93.7	Very high	1 Å²	1	46.7 Å²	46.7	0%	0.004	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	118.1	-179.3	175	-108.7	0	0	0	109.9	Y364 M365 F390 F439 A441 F448 I473 T474 L475 W486	Y364-F450 HydrophobicContact CD2-CE1 4.3Å; Y364-F450 HydrophobicContact CD2-CZ 4.13Å; M365-F450 HydrophobicContact CE-CD1 4.32Å; M365-F450 HydrophobicContact SD-CD1 3.3Å; M365-F450 WeakPolarHBondContact SD-CD1 2.96Å; M365-F450 HydrophobicContact SD-CE1 3.68Å; M365-F450 HydrophobicContact SD-CG 4.13Å; F390-F450 AromaticContact CE1-CD2 3.98Å; F390-F450 HydrophobicContact CE1-CD2 3.98Å; F390-F450 AromaticContact CE1-CE2 3.58Å; F390-F450 HydrophobicContact CE1-CE2 3.58Å; F390-F450 AromaticContact CE1-CZ 3.89Å; F390-F450 HydrophobicContact CE1-CZ 3.89Å; F390-F450 HydrophobicContact CZ-CE1 4.4Å; F390-F450 HydrophobicContact CZ-CE2 4.21Å; F390-F450 HydrophobicContact CZ-CZ 4.14Å; F439-F450 HydrophobicContact CD2-CD1 4.27Å; F439-F450 HydrophobicContact CD2-CE1 4.18Å; F439-F450 AromaticContact CE2-CD1 3.63Å; F439-F450 HydrophobicContact CE2-CD1 3.63Å; F439-F450 AromaticContact CE2-CE1 3.35Å; F439-F450 HydrophobicContact CE2-CE1 3.35Å; F439-F450 HydrophobicContact CE2-CG 4.39Å; F439-F450 AromaticContact CE2-CZ 3.89Å; F439-F450 HydrophobicContact CE2-CZ 3.89Å; F439-F450 AromaticContact CZ-CE1 3.98Å; F439-F450 HydrophobicContact CZ-CE1 3.98Å; F439-F450 HydrophobicContact CZ-CZ 4.1Å; A441-F450 HydrophobicContact CB-CB 4.44Å; A441-F450 HydrophobicContact CB-CD1 4.48Å; A441-F450 PolarHBondContact N-O 2.86Å; A441-F450 PolarHBondContact O-N 2.96Å; F448-F450 HydrophobicContact CD2-CB 4.12Å; F448-F450 HydrophobicContact CE2-CB 4.01Å; F450-I473 HydrophobicContact CD2-CG2 4.22Å; F450-I473 HydrophobicContact CE2-CG2 3.24Å; F450-I473 HydrophobicContact CZ-CG2 3.67Å; F450-T474 WeakPolarHBondContact CA-O 3.26Å; F450-L475 HydrophobicContact CB-CD1 4Å; F450-L475 HydrophobicContact CD2-CB 4.2Å; F450-L475 HydrophobicContact CD2-CD1 4.19Å; F450-W486 HydrophobicContact CD2-CH2 4.41Å; F450-W486 AromaticContact CE2-CH2 3.82Å; F450-W486 HydrophobicContact CE2-CH2 3.82Å; F450-W486 AromaticContact CE2-CZ2 3.92Å; F450-W486 HydrophobicContact CE2-CZ2 3.92Å
451	H	98.7	Very high	92.4	Very high	10 Å²	10	53.5 Å²	53.5	5%	0.046	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	167	-171.5	65.3	99.3	0	0	0	113	F439 H440 T474 E476	F439-H451 VanDerWaalsContact CE2-C 3.47Å; F439-H451 WeakPolarHBondContact O-CA 3.28Å; F439-H451 WeakPolarHBondContact O-CB 3.48Å; H440-H451 HydrophobicContact CB-CB 4.4Å; H451-T474 PolarHBondContact N-O 2.95Å; H451-T474 WeakPolarHBondContact NE2-CG2 3.16Å; H451-T474 PolarHBondContact O-N 3.14Å; H451-E476 IonicContact CD2-OE1 3.95Å; H451-E476 IonicContact CE1-OE1 2.81Å; H451-E476 IonicContact NE2-OE1 2.57Å; H451-E476 PolarHBondContact NE2-OE1 3.04Å
452	G	98.1	Very high	91	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163.3	-175.9	173.1	0	0	0	0	0	112	F439 I472	F439-G452 WeakPolarHBondContact CD1-O 3.38Å; F439-G452 PolarHBondContact N-O 2.94Å; F439-G452 PolarHBondContact O-N 3.02Å; F439-G452 VanDerWaalsContact O-N 3.15Å; G452-I472 WeakPolarHBondContact CA-O 3.09Å
453	S	97.1	Very high	89.8	Confident	14 Å²	14	58.7 Å²	58.7	10%	0.098	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	134.9	177.8	56.6	0	0	0	0	111.5	S437 G471 D718	S437-S453 CarbonylContact O-C 3.54Å; S437-S453 WeakPolarHBondContact O-CA 3.33Å; S453-G471 WeakPolarHBondContact O-CA 3.31Å; S453-D718 PolarHBondContact OG-OD1 3.33Å
454	I	97.1	Very high	88.9	Confident	1 Å²	1	59.5 Å²	59.5	1%	0.005	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	127	-174.1	-62.9	-59.4	0	0	0	111.3	F357 L361 V436 S437 F439 P469 I473	F357-I454 HydrophobicContact CE1-CG2 4.21Å; F357-I454 HydrophobicContact CZ-CG2 3.9Å; L361-I454 HydrophobicContact CD1-CB 4.42Å; L361-I454 HydrophobicContact CD2-CB 4.11Å; L361-I454 HydrophobicContact CD2-CG1 3.9Å; L361-I454 HydrophobicContact CD2-CG2 4.25Å; V436-I454 WeakPolarHBondContact CA-O 3.27Å; S437-I454 PolarHBondContact N-O 3Å; S437-I454 PolarHBondContact O-N 3.35Å; F439-I454 HydrophobicContact CE1-CG1 4.32Å; I454-P469 HydrophobicContact CG2-CB 4.18Å; I454-I473 HydrophobicContact CD1-CD1 3.74Å; I454-I473 HydrophobicContact CG1-CD1 4.37Å
455	Y	94.1	Very high	88.2	Confident	68 Å²	68	57.9 Å²	57.9	27%	0.267	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	105.9	164.9	166.7	-152.5	0	0	0	109.4	P434 P435 K457 K470	P434-Y455 HydrophobicContact CB-CD1 4.04Å; P434-Y455 HydrophobicContact CB-CD2 3.95Å; P434-Y455 HydrophobicContact CB-CE1 3.75Å; P434-Y455 HydrophobicContact CB-CE2 3.7Å; P434-Y455 HydrophobicContact CB-CG 4.15Å; P434-Y455 HydrophobicContact CG-CD1 4.37Å; P434-Y455 HydrophobicContact CG-CE1 4.3Å; P435-Y455 HydrophobicContact CG-CD2 4.14Å; P435-Y455 HydrophobicContact CG-CE2 4.17Å; P435-Y455 WeakPolarHBondContact O-CA 3.25Å; P435-Y455 VanDerWaalsContact O-CD2 3.24Å; P435-Y455 WeakPolarHBondContact O-CD2 3.26Å; Y455-K457 HydrophobicContact CE1-CB 4.26Å; Y455-K457 HydrophobicContact CE2-CB 4.21Å; Y455-K457 PolarHBondContact O-N 3.23Å; Y455-K470 HydrophobicContact CD1-CB 4.35Å; Y455-K470 HydrophobicContact CD1-CD 4.13Å; Y455-K470 HydrophobicContact CE1-CD 4.34Å; Y455-K470 PolarHBondContact N-O 3.21Å; Y455-K470 WeakPolarHBondContact O-CB 3.47Å; Y455-K470 PolarHBondContact O-N 2.98Å
456	P	90.1	Very high	87.7	Confident	32 Å²	32	50.4 Å²	50.4	21%	0.208	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	95.1	174.4	30.4	-32.5	0	0	0	110.2	F357 L458	F357-P456 HydrophobicContact CE1-CG 3.93Å; F357-P456 HydrophobicContact CZ-CB 4.35Å; F357-P456 HydrophobicContact CZ-CG 3.95Å; P456-L458 PolarHBondContact O-N 2.56Å
457	K	85.8	Confident	87.4	Confident	86 Å²	86	43.9 Å²	43.9	37%	0.374	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	111.4	174.9	-176.2	177.8	-179.7	178.7	0	109.5	Y455 E468 K470	Y455-K457 HydrophobicContact CE1-CB 4.26Å; Y455-K457 HydrophobicContact CE2-CB 4.21Å; Y455-K457 PolarHBondContact O-N 3.23Å; K457-E468 HydrophobicContact CB-CB 4.41Å; K457-E468 PolarHBondContact N-O 3.39Å; K457-E468 PolarHBondContact O-N 3.37Å; K457-K470 HydrophobicContact CB-CD 4.2Å
458	L	81.3	Confident	87.3	Confident	99 Å²	99	44.7 Å²	44.7	52%	0.518	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	145.7	177.6	-57.4	-179.5	0	0	0	112.2	P456 V465 E466 A467	P456-L458 PolarHBondContact O-N 2.56Å; L458-V465 HydrophobicContact CD2-CG1 4.41Å; L458-E466 CarbonylContact C-O 3.57Å; L458-E466 VanDerWaalsContact CA-O 3.27Å; L458-E466 WeakPolarHBondContact CA-O 3.24Å; L458-A467 HydrophobicContact CD2-CB 3.73Å
459	K	77.7	Confident	87	Confident	59 Å²	59	45.7 Å²	45.7	26%	0.257	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	138.7	166.2	-44.2	-174.2	-156.5	101.5	0	109.8	W461 V465 E466 E468	K459-W461 HydrophobicContact CD-CZ2 4.26Å; K459-V465 CarbonylContact O-C 3.44Å; K459-V465 WeakPolarHBondContact O-CA 3.38Å; K459-E466 HydrophobicContact CB-CB 4.28Å; K459-E466 WeakPolarHBondContact CD-OE2 3.43Å; K459-E466 PolarHBondContact N-O 3.11Å; K459-E466 IonicContact NZ-OE2 3.95Å; K459-E466 PolarHBondContact NZ-OE2 3.12Å; K459-E466 PolarHBondContact O-N 3.34Å; K459-E468 WeakPolarHBondContact CE-OE2 3.29Å; K459-E468 IonicContact NZ-OE2 3.53Å; K459-E468 PolarHBondContact NZ-OE2 3.03Å
460	F	73.8	Confident	86.8	Confident	79 Å²	79	48.5 Å²	48.5	35%	0.346	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	133.2	175.5	169.1	-91.8	0	0	0	109.7	L334 L342 G462 V465 I496	L334-F460 HydrophobicContact CD1-CE2 4.11Å; L342-F460 HydrophobicContact CD1-CB 3.5Å; L342-F460 VanDerWaalsContact CD1-CB 3.5Å; L342-F460 HydrophobicContact CD1-CG 4.24Å; F460-G462 WeakPolarHBondContact CE2-O 3.07Å; F460-G462 VanDerWaalsContact CZ-CA 3.48Å; F460-G462 VanDerWaalsContact CZ-O 3.29Å; F460-G462 WeakPolarHBondContact CZ-O 3.4Å; F460-V465 HydrophobicContact CD2-CG2 4.31Å; F460-I496 HydrophobicContact CD2-CD1 3.72Å; F460-I496 HydrophobicContact CE2-CD1 3.5Å
461	W	71.1	Confident	86.6	Confident	169 Å²	169	49.3 Å²	49.3	64%	0.64	24%	0.241	S	C	*	.			trans	-124.4	39.6	-176.4	-65.1	99.1	0	0	0	111.1	K459 K463 S464 E466	K459-W461 HydrophobicContact CD-CZ2 4.26Å; W461-K463 PolarHBondContact O-N 3.32Å; W461-S464 PolarHBondContact N-O 3.36Å; W461-E466 PolarHBondContact NE1-OE2 3.33Å
462	G	70.1	Confident	86.5	Confident	15 Å²	15	50.7 Å²	50.7	16%	0.155	25%	0.248	C	C	.	.	S	Bend	trans	71.6	-87.5	-172.2	0	0	0	0	0	111.1	F460 S464 I496 I497	F460-G462 WeakPolarHBondContact CE2-O 3.07Å; F460-G462 VanDerWaalsContact CZ-CA 3.48Å; F460-G462 VanDerWaalsContact CZ-O 3.29Å; F460-G462 WeakPolarHBondContact CZ-O 3.4Å; G462-S464 VanDerWaalsContact C-N 3.34Å; G462-S464 PolarHBondContact O-N 2.95Å; G462-I496 WeakPolarHBondContact O-CD1 3.43Å; G462-I497 VanDerWaalsContact O-CD1 3.24Å; G462-I497 WeakPolarHBondContact O-CD1 3.37Å
463	K	72.8	Confident	86.5	Confident	124 Å²	124	50.7 Å²	50.7	54%	0.539	25%	0.248	S	C	.	.	S	Bend	trans	-82.2	-7.9	-172.6	-61.3	-171.6	179	-172.5	0	114.9	W461 N495 I496 I497	W461-K463 PolarHBondContact O-N 3.32Å; K463-N495 PolarHBondContact O-N 3.41Å; K463-I496 WeakPolarHBondContact O-CG1 3.28Å; K463-I496 PolarHBondContact O-N 2.91Å; K463-I496 VanDerWaalsContact O-N 3.16Å; K463-I497 HydrophobicContact CG-CD1 4.43Å
464	S	80.3	Confident	86.6	Confident	18 Å²	18	50 Å²	50	13%	0.126	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	154.8	-175.4	-47.8	0	0	0	0	112.4	W461 G462 V493 H494	W461-S464 PolarHBondContact N-O 3.36Å; G462-S464 VanDerWaalsContact C-N 3.34Å; G462-S464 PolarHBondContact O-N 2.95Å; S464-V493 CarbonylContact C-O 3.53Å; S464-V493 WeakPolarHBondContact CA-O 3.33Å; S464-V493 WeakPolarHBondContact CB-O 3.31Å; S464-H494 PolarHBondContact OG-ND1 3.14Å
465	V	81.3	Confident	86.7	Confident	35 Å²	35	50 Å²	50	21%	0.212	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	118.6	172.8	178.5	0	0	0	0	109.7	L458 K459 F460 C492 V493 I496	L458-V465 HydrophobicContact CD2-CG1 4.41Å; K459-V465 CarbonylContact O-C 3.44Å; K459-V465 WeakPolarHBondContact O-CA 3.38Å; F460-V465 HydrophobicContact CD2-CG2 4.31Å; V465-C492 WeakPolarHBondContact O-CA 3.11Å; V465-V493 PolarHBondContact N-O 3.1Å; V465-V493 PolarHBondContact O-N 2.84Å; V465-I496 HydrophobicContact CG2-CD1 3.72Å; V465-I496 HydrophobicContact CG2-CG1 4.1Å; V465-I496 HydrophobicContact CG2-CG2 4.38Å
466	E	86.3	Confident	86.9	Confident	23 Å²	23	49.2 Å²	49.2	11%	0.107	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	137.6	166.3	-75.5	-172.3	149.3	0	0	110.5	L458 K459 W461 T490 C491 Y506	L458-E466 CarbonylContact C-O 3.57Å; L458-E466 VanDerWaalsContact CA-O 3.27Å; L458-E466 WeakPolarHBondContact CA-O 3.24Å; K459-E466 HydrophobicContact CB-CB 4.28Å; K459-E466 WeakPolarHBondContact CD-OE2 3.43Å; K459-E466 PolarHBondContact N-O 3.11Å; K459-E466 IonicContact NZ-OE2 3.95Å; K459-E466 PolarHBondContact NZ-OE2 3.12Å; K459-E466 PolarHBondContact O-N 3.34Å; W461-E466 PolarHBondContact NE1-OE2 3.33Å; E466-T490 HydrophobicContact CB-CG2 4.18Å; E466-T490 HydrophobicContact CG-CG2 4.09Å; E466-C491 CarbonylContact C-O 3.58Å; E466-C491 WeakPolarHBondContact CA-O 3.01Å; E466-Y506 VanDerWaalsContact CG-OH 3.31Å; E466-Y506 WeakPolarHBondContact CG-OH 3.5Å; E466-Y506 PolarHBondContact OE1-OH 2.94Å
467	A	88.7	Confident	87.3	Confident	26 Å²	26	47.7 Å²	47.7	22%	0.215	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	111.3	160.8	0	0	0	0	0	108.5	L458 P469 C491	L458-A467 HydrophobicContact CD2-CB 3.73Å; A467-P469 VanDerWaalsContact O-CD 3.29Å; A467-P469 WeakPolarHBondContact O-CD 3.46Å; A467-C491 HydrophobicContact CB-CB 4.47Å; A467-C491 PolarHBondContact N-O 3.32Å; A467-C491 PolarHBondContact O-N 2.95Å
468	E	92.6	Very high	87.9	Confident	47 Å²	47	47 Å²	47	22%	0.22	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	103.6	177.2	-175.5	-172.4	146.8	0	0	108.7	K457 K459 K470	K457-E468 HydrophobicContact CB-CB 4.41Å; K457-E468 PolarHBondContact N-O 3.39Å; K457-E468 PolarHBondContact O-N 3.37Å; K459-E468 WeakPolarHBondContact CE-OE2 3.29Å; K459-E468 IonicContact NZ-OE2 3.53Å; K459-E468 PolarHBondContact NZ-OE2 3.03Å; E468-K470 HydrophobicContact CG-CG 4.31Å; E468-K470 PolarHBondContact O-N 3.28Å; E468-K470 WeakPolarHBondContact OE1-CE 3.08Å; E468-K470 IonicContact OE1-NZ 2.73Å; E468-K470 PolarHBondContact OE1-NZ 3.08Å
469	P	93.4	Very high	88.6	Confident	23 Å²	23	48.9 Å²	48.9	15%	0.149	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	86.1	-176.1	32	-34.9	0	0	0	110.3	I454 A467 G471 N488 P489	I454-P469 HydrophobicContact CG2-CB 4.18Å; A467-P469 VanDerWaalsContact O-CD 3.29Å; A467-P469 WeakPolarHBondContact O-CD 3.46Å; P469-G471 PolarHBondContact O-N 2.99Å; P469-N488 HydrophobicContact CB-CB 4.45Å; P469-N488 HydrophobicContact CG-CB 3.84Å; P469-P489 VanDerWaalsContact CD-O 3.28Å; P469-P489 WeakPolarHBondContact CD-O 3.34Å; P469-P489 WeakPolarHBondContact CG-O 3.47Å
470	K	94.4	Very high	89.6	Confident	89 Å²	89	48 Å²	48	39%	0.387	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	112.7	178.5	-68.4	-175.2	174.4	-64.7	0	109.8	Y455 K457 E468	Y455-K470 HydrophobicContact CD1-CB 4.35Å; Y455-K470 HydrophobicContact CD1-CD 4.13Å; Y455-K470 HydrophobicContact CE1-CD 4.34Å; Y455-K470 PolarHBondContact N-O 3.21Å; Y455-K470 WeakPolarHBondContact O-CB 3.47Å; Y455-K470 PolarHBondContact O-N 2.98Å; K457-K470 HydrophobicContact CB-CD 4.2Å; E468-K470 HydrophobicContact CG-CG 4.31Å; E468-K470 PolarHBondContact O-N 3.28Å; E468-K470 WeakPolarHBondContact OE1-CE 3.08Å; E468-K470 IonicContact OE1-NZ 2.73Å; E468-K470 PolarHBondContact OE1-NZ 3.08Å
471	G	94.5	Very high	90.7	Very high	18 Å²	18	49.3 Å²	49.3	19%	0.186	25%	0.248	C	C	.	.			trans	177.2	151.8	-179.8	0	0	0	0	0	110.7	S453 P469 T487	S453-G471 WeakPolarHBondContact O-CA 3.31Å; P469-G471 PolarHBondContact O-N 2.99Å; G471-T487 WeakPolarHBondContact O-CG2 3.42Å
472	I	96.9	Very high	92	Very high	40 Å²	40	41.8 Å²	41.8	21%	0.205	22%	0.22	C	C	.	.			trans	-99.5	125.8	164.9	-75.9	161.4	0	0	0	107.1	G452 T485 T487 T714 S716	G452-I472 WeakPolarHBondContact CA-O 3.09Å; I472-T485 HydrophobicContact CG2-CG2 4.13Å; I472-T487 HydrophobicContact CG1-CG2 4.24Å; I472-T714 HydrophobicContact CD1-CG2 4.34Å; I472-T714 HydrophobicContact CG2-CG2 4.46Å; I472-S716 WeakPolarHBondContact CD1-OG 3.45Å
473	I	98.4	Very high	93.3	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	133.5	171.5	-52.1	-64.3	0	0	0	107.1	Y364 F439 F450 I454 T485 W486	Y364-I473 HydrophobicContact CE2-CD1 4.09Å; F439-I473 HydrophobicContact CE1-CD1 4.04Å; F439-I473 HydrophobicContact CZ-CD1 3.81Å; F450-I473 HydrophobicContact CD2-CG2 4.22Å; F450-I473 HydrophobicContact CE2-CG2 3.24Å; F450-I473 HydrophobicContact CZ-CG2 3.67Å; I454-I473 HydrophobicContact CD1-CD1 3.74Å; I454-I473 HydrophobicContact CG1-CD1 4.37Å; I473-T485 WeakPolarHBondContact O-CA 3.42Å; I473-W486 HydrophobicContact CB-CD2 4Å; I473-W486 HydrophobicContact CB-CG 4.32Å; I473-W486 HydrophobicContact CB-CZ2 4.13Å; I473-W486 HydrophobicContact CG2-CD2 4.11Å; I473-W486 HydrophobicContact CG2-CE3 4.44Å; I473-W486 HydrophobicContact CG2-CH2 3.78Å; I473-W486 HydrophobicContact CG2-CZ2 3.37Å; I473-W486 HydrophobicContact CG2-CZ3 4.28Å; I473-W486 PolarHBondContact N-O 2.89Å; I473-W486 PolarHBondContact O-N 3.16Å; I473-W486 VanDerWaalsContact O-N 3.1Å
474	T	98.8	Very high	94.6	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	128.8	-179.7	-52.3	0	0	0	0	110.1	F450 H451 E476 Y484 T485 N711	F450-T474 WeakPolarHBondContact CA-O 3.26Å; H451-T474 PolarHBondContact N-O 2.95Å; H451-T474 WeakPolarHBondContact NE2-CG2 3.16Å; H451-T474 PolarHBondContact O-N 3.14Å; T474-E476 HydrophobicContact CG2-CG 4.14Å; T474-Y484 WeakPolarHBondContact CA-O 3.46Å; T474-T485 HydrophobicContact CG2-CG2 4.11Å; T474-N711 PolarHBondContact OG1-ND2 3.48Å
475	L	98.8	Very high	95.4	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	117.3	170.7	176.8	66	0	0	0	109.4	I371 V387 F448 V449 F450 L477 A483 Y484 W486	I371-L475 HydrophobicContact CD1-CD1 3.92Å; I371-L475 HydrophobicContact CG1-CD1 4.26Å; I371-L475 HydrophobicContact CG1-CD2 4.23Å; I371-L475 HydrophobicContact CG2-CD1 3.96Å; I371-L475 HydrophobicContact CG2-CD2 4.46Å; V387-L475 HydrophobicContact CB-CD2 4.45Å; V387-L475 HydrophobicContact CG1-CD2 3.92Å; V387-L475 HydrophobicContact CG2-CD2 3.76Å; F448-L475 HydrophobicContact CB-CD1 4.42Å; F448-L475 HydrophobicContact CD2-CD1 4.1Å; V449-L475 WeakPolarHBondContact O-CA 3.44Å; F450-L475 HydrophobicContact CB-CD1 4Å; F450-L475 HydrophobicContact CD2-CB 4.2Å; F450-L475 HydrophobicContact CD2-CD1 4.19Å; L475-L477 HydrophobicContact CD1-CD2 4.21Å; L475-L477 HydrophobicContact CD2-CD2 4.31Å; L475-L477 HydrophobicContact CG-CD2 4.08Å; L475-A483 CarbonylContact O-C 3.57Å; L475-A483 WeakPolarHBondContact O-CA 3.39Å; L475-Y484 PolarHBondContact N-O 2.99Å; L475-Y484 PolarHBondContact O-N 3.41Å; L475-W486 HydrophobicContact CB-CH2 4.07Å; L475-W486 HydrophobicContact CB-CZ3 3.87Å
476	E	98.8	Very high	96.3	Very high	52 Å²	52	33.7 Å²	33.7	24%	0.243	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	134.1	177.1	-65.2	174	-134	0	0	109.9	F448 V449 H451 T474 P478 A483 H713	F448-E476 WeakPolarHBondContact CA-O 3.38Å; V449-E476 HydrophobicContact CB-CB 4.36Å; V449-E476 PolarHBondContact N-O 3.29Å; V449-E476 PolarHBondContact O-N 2.83Å; H451-E476 IonicContact CD2-OE1 3.95Å; H451-E476 IonicContact CE1-OE1 2.81Å; H451-E476 IonicContact NE2-OE1 2.57Å; H451-E476 PolarHBondContact NE2-OE1 3.04Å; T474-E476 HydrophobicContact CG2-CG 4.14Å; E476-P478 WeakPolarHBondContact O-CD 3.44Å; E476-A483 HydrophobicContact CG-CB 3.99Å; E476-H713 IonicContact OE1-NE2 3.33Å
477	L	98.4	Very high	96.8	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	82	175.7	-54.9	-172.5	0	0	0	109	I371 A374 F448 L475 K479 H480 N481 E482 Y484	I371-L477 HydrophobicContact CG2-CD2 3.93Å; A374-L477 HydrophobicContact CB-CD1 4.02Å; F448-L477 HydrophobicContact CB-CD2 3.99Å; L475-L477 HydrophobicContact CD1-CD2 4.21Å; L475-L477 HydrophobicContact CD2-CD2 4.31Å; L475-L477 HydrophobicContact CG-CD2 4.08Å; L477-K479 PolarHBondContact O-N 3.27Å; L477-K479 VanDerWaalsContact O-N 3.11Å; L477-H480 PolarHBondContact O-N 3.33Å; L477-N481 PolarHBondContact O-N 3.27Å; L477-E482 PolarHBondContact N-O 3.46Å; L477-Y484 HydrophobicContact CD1-CE2 3.74Å; L477-Y484 HydrophobicContact CG-CD2 4.48Å; L477-Y484 HydrophobicContact CG-CE2 4.1Å
478	P	97.6	Very high	97.2	Very high	70 Å²	70	35 Å²	35	46%	0.455	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-53.3	-36.2	-171.8	-30.6	36.5	0	0	0	114.6	D447 E476 H480 N481	D447-P478 WeakPolarHBondContact O-CD 3.5Å; E476-P478 WeakPolarHBondContact O-CD 3.44Å; P478-H480 PolarHBondContact O-N 3.2Å; P478-N481 PolarHBondContact O-N 2.82Å
479	K	97.1	Very high	97.4	Very high	139 Å²	139	33.1 Å²	33.1	60%	0.604	18%	0.175	S	C	*	.	G	3₁₀ helix	trans	-52.1	-36.6	175.7	176.8	-177.2	170.5	-171.2	0	113.5	N375 L477	N375-K479 WeakPolarHBondContact O-CD 3.49Å; N375-K479 WeakPolarHBondContact O-CE 3.26Å; N375-K479 PolarHBondContact O-NZ 3.04Å; L477-K479 PolarHBondContact O-N 3.27Å; L477-K479 VanDerWaalsContact O-N 3.11Å
480	H	97.4	Very high	97.5	Very high	42 Å²	42	33.3 Å²	33.3	19%	0.194	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-100.6	-8.4	-179.1	-59.2	-73.3	0	0	0	112.4	N375 S377 R383 L477 P478 E482	N375-H480 PolarHBondContact O-NE2 2.78Å; N375-H480 VanDerWaalsContact O-NE2 3.08Å; S377-H480 PolarHBondContact O-CE1 3.09Å; S377-H480 PolarHBondContact O-NE2 3.01Å; R383-H480 PolarHBondContact NH1-CE1 2.7Å; R383-H480 PolarHBondContact NH1-ND1 3.09Å; L477-H480 PolarHBondContact O-N 3.33Å; P478-H480 PolarHBondContact O-N 3.2Å; H480-E482 VanDerWaalsContact C-N 3.26Å; H480-E482 HydrophobicContact CB-CB 4.29Å; H480-E482 HydrophobicContact CB-CG 3.74Å; H480-E482 WeakPolarHBondContact O-CG 3.47Å; H480-E482 PolarHBondContact O-N 2.93Å
481	N	97.1	Very high	97.5	Very high	105 Å²	105	30.3 Å²	30.3	56%	0.561	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.8	40.9	-170.7	-166.2	-5.7	0	0	0	111.7	L477 P478 R515	L477-N481 PolarHBondContact O-N 3.27Å; P478-N481 PolarHBondContact O-N 2.82Å; N481-R515 VanDerWaalsContact CG-NH2 3.32Å; N481-R515 PolarHBondContact O-NE 3.01Å; N481-R515 PolarHBondContact O-NH2 3.49Å; N481-R515 PolarHBondContact OD1-NH2 3.17Å
482	E	97.9	Very high	97.2	Very high	12 Å²	12	29.6 Å²	29.6	6%	0.056	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	148.7	-177.7	-58.9	-171.8	161.1	0	0	111	R383 L477 H480 Y484 N513 R515 T516	R383-E482 IonicContact CZ-OE1 2.85Å; R383-E482 IonicContact CZ-OE2 3.45Å; R383-E482 IonicContact NE-OE1 3.03Å; R383-E482 IonicContact NE-OE2 2.79Å; R383-E482 PolarHBondContact NE-OE2 2.99Å; R383-E482 IonicContact NH2-OE1 3.88Å; R383-E482 PolarHBondContact NH2-OE1 3.41Å; R383-E482 IonicContact NH2-OE2 3.67Å; R383-E482 PolarHBondContact NH2-OE2 2.8Å; L477-E482 PolarHBondContact N-O 3.46Å; H480-E482 VanDerWaalsContact C-N 3.26Å; H480-E482 HydrophobicContact CB-CB 4.29Å; H480-E482 HydrophobicContact CB-CG 3.74Å; H480-E482 WeakPolarHBondContact O-CG 3.47Å; H480-E482 PolarHBondContact O-N 2.93Å; E482-Y484 HydrophobicContact CB-CE2 4.14Å; E482-Y484 PolarHBondContact OE2-OH 3.41Å; E482-Y484 VanDerWaalsContact OE2-OH 3.12Å; E482-N513 PolarHBondContact OE2-ND2 2.9Å; E482-R515 HydrophobicContact CB-CB 4.28Å; E482-R515 HydrophobicContact CG-CB 3.84Å; E482-R515 HydrophobicContact CG-CG 3.98Å; E482-T516 VanDerWaalsContact OE1-CG2 3.29Å; E482-T516 WeakPolarHBondContact OE1-CG2 3.32Å
483	A	98.4	Very high	96.7	Very high	4 Å²	4	29.4 Å²	29.4	3%	0.033	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	139.7	174.3	0	0	0	0	0	109.6	L475 E476 N513 H514 H713	L475-A483 CarbonylContact O-C 3.57Å; L475-A483 WeakPolarHBondContact O-CA 3.39Å; E476-A483 HydrophobicContact CG-CB 3.99Å; A483-N513 WeakPolarHBondContact O-CA 3.47Å; A483-H514 PolarHBondContact O-CD2 3.19Å; A483-H514 PolarHBondContact O-N 3.18Å; A483-H713 WeakPolarHBondContact CB-CE1 3.32Å; A483-H713 WeakPolarHBondContact CB-NE2 3.18Å
484	Y	98.8	Very high	96	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	134.4	-178.2	-60.5	-102.9	0	0	0	108.8	R383 M384 V387 T474 L475 L477 E482 V511 V512 N513	R383-Y484 WeakPolarHBondContact CB-OH 3.36Å; M384-Y484 HydrophobicContact CE-CD1 4.07Å; M384-Y484 HydrophobicContact CE-CE1 3.91Å; M384-Y484 HydrophobicContact SD-CD1 4.19Å; M384-Y484 HydrophobicContact SD-CE1 4.07Å; V387-Y484 HydrophobicContact CB-CD1 4.16Å; V387-Y484 HydrophobicContact CB-CE1 4.29Å; V387-Y484 HydrophobicContact CB-CG 4.45Å; V387-Y484 HydrophobicContact CG1-CD1 3.93Å; V387-Y484 HydrophobicContact CG1-CG 3.93Å; V387-Y484 HydrophobicContact CG2-CD1 4.18Å; V387-Y484 HydrophobicContact CG2-CD2 4.17Å; V387-Y484 HydrophobicContact CG2-CE1 4.07Å; V387-Y484 HydrophobicContact CG2-CE2 4.09Å; V387-Y484 HydrophobicContact CG2-CG 4.22Å; T474-Y484 WeakPolarHBondContact CA-O 3.46Å; L475-Y484 PolarHBondContact N-O 2.99Å; L475-Y484 PolarHBondContact O-N 3.41Å; L477-Y484 HydrophobicContact CD1-CE2 3.74Å; L477-Y484 HydrophobicContact CG-CD2 4.48Å; L477-Y484 HydrophobicContact CG-CE2 4.1Å; E482-Y484 HydrophobicContact CB-CE2 4.14Å; E482-Y484 PolarHBondContact OE2-OH 3.41Å; E482-Y484 VanDerWaalsContact OE2-OH 3.12Å; Y484-V511 HydrophobicContact CD1-CG1 4.09Å; Y484-V512 VanDerWaalsContact CA-O 3.27Å; Y484-V512 WeakPolarHBondContact CA-O 3.31Å; Y484-N513 HydrophobicContact CD1-CB 3.94Å; Y484-N513 HydrophobicContact CE1-CB 3.81Å; Y484-N513 WeakPolarHBondContact CE1-ND2 3.24Å; Y484-N513 PolarHBondContact OH-ND2 2.96Å
485	T	98.8	Very high	95.1	Very high	10 Å²	10	33.5 Å²	33.5	6%	0.061	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	145.2	173.1	62	0	0	0	0	112.3	I472 I473 T474 V512 H514 T714	I472-T485 HydrophobicContact CG2-CG2 4.13Å; I473-T485 WeakPolarHBondContact O-CA 3.42Å; T474-T485 HydrophobicContact CG2-CG2 4.11Å; T485-V512 PolarHBondContact N-O 3.37Å; T485-V512 VanDerWaalsContact N-O 3.1Å; T485-V512 PolarHBondContact O-N 2.93Å; T485-H514 WeakPolarHBondContact CG2-NE2 3.38Å; T485-H514 PolarHBondContact OG1-NE2 3.31Å; T485-T714 HydrophobicContact CG2-CG2 4.07Å
486	W	98.6	Very high	93.9	Very high	7 Å²	7	33.8 Å²	33.8	3%	0.027	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	176.4	172.7	66.4	97.2	0	0	0	111.8	V387 F390 A391 F450 I473 L475 N488 V509 E510 V511	V387-W486 HydrophobicContact CG1-CH2 4.44Å; V387-W486 HydrophobicContact CG1-CZ3 3.97Å; F390-W486 AromaticContact CD1-CH2 3.98Å; F390-W486 HydrophobicContact CD1-CH2 3.98Å; F390-W486 HydrophobicContact CD1-CZ2 4.17Å; F390-W486 HydrophobicContact CE1-CH2 4.12Å; F390-W486 HydrophobicContact CE1-CZ2 4.22Å; A391-W486 HydrophobicContact CB-CD2 4.16Å; A391-W486 HydrophobicContact CB-CG 4.47Å; A391-W486 HydrophobicContact CB-CZ2 3.89Å; F450-W486 HydrophobicContact CD2-CH2 4.41Å; F450-W486 AromaticContact CE2-CH2 3.82Å; F450-W486 HydrophobicContact CE2-CH2 3.82Å; F450-W486 AromaticContact CE2-CZ2 3.92Å; F450-W486 HydrophobicContact CE2-CZ2 3.92Å; I473-W486 HydrophobicContact CB-CD2 4Å; I473-W486 HydrophobicContact CB-CG 4.32Å; I473-W486 HydrophobicContact CB-CZ2 4.13Å; I473-W486 HydrophobicContact CG2-CD2 4.11Å; I473-W486 HydrophobicContact CG2-CE3 4.44Å; I473-W486 HydrophobicContact CG2-CH2 3.78Å; I473-W486 HydrophobicContact CG2-CZ2 3.37Å; I473-W486 HydrophobicContact CG2-CZ3 4.28Å; I473-W486 PolarHBondContact N-O 2.89Å; I473-W486 PolarHBondContact O-N 3.16Å; I473-W486 VanDerWaalsContact O-N 3.1Å; L475-W486 HydrophobicContact CB-CH2 4.07Å; L475-W486 HydrophobicContact CB-CZ3 3.87Å; W486-N488 PolarHBondContact NE1-OD1 3.45Å; W486-N488 VanDerWaalsContact NE1-OD1 3.08Å; W486-V509 HydrophobicContact CB-CG1 4.05Å; W486-V509 HydrophobicContact CG-CG1 4.3Å; W486-E510 WeakPolarHBondContact CA-O 3.48Å; W486-E510 WeakPolarHBondContact CB-O 3.49Å; W486-V511 HydrophobicContact CB-CG2 4.01Å; W486-V511 HydrophobicContact CD2-CG2 4.48Å; W486-V511 HydrophobicContact CE3-CG1 4.23Å; W486-V511 HydrophobicContact CG-CG2 4.28Å
487	T	97.6	Very high	92.3	Very high	64 Å²	64	31.8 Å²	31.8	39%	0.393	17%	0.171	S	C	.	.			trans	-120.6	143.3	167.9	60.6	0	0	0	0	109	G471 I472 V509	G471-T487 WeakPolarHBondContact O-CG2 3.42Å; I472-T487 HydrophobicContact CG1-CG2 4.24Å; T487-V509 WeakPolarHBondContact O-CG2 3.31Å
488	N	97.4	Very high	90.8	Very high	14 Å²	14	36 Å²	36	8%	0.075	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-74.5	155.6	-179.7	-73.7	-13.6	0	0	0	111.9	Y364 P469 W486	Y364-N488 WeakPolarHBondContact CE2-ND2 3.35Å; Y364-N488 PolarHBondContact OH-ND2 3.39Å; P469-N488 HydrophobicContact CB-CB 4.45Å; P469-N488 HydrophobicContact CG-CB 3.84Å; W486-N488 PolarHBondContact NE1-OD1 3.45Å; W486-N488 VanDerWaalsContact NE1-OD1 3.08Å
489	P	97.1	Very high	89.2	Confident	7 Å²	7	35.3 Å²	35.3	5%	0.045	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-68.7	161.6	179.5	30.8	-36.7	0	0	0	112.1	V395 P469 C491 Q505 V509 F524	V395-P489 HydrophobicContact CG2-CG 4.3Å; P469-P489 VanDerWaalsContact CD-O 3.28Å; P469-P489 WeakPolarHBondContact CD-O 3.34Å; P469-P489 WeakPolarHBondContact CG-O 3.47Å; P489-C491 PolarHBondContact O-N 3.47Å; P489-Q505 HydrophobicContact CG-CB 4.34Å; P489-V509 HydrophobicContact CB-CG2 4.22Å; P489-V509 HydrophobicContact CG-CG2 4.47Å; P489-F524 HydrophobicContact CB-CB 4.44Å; P489-F524 HydrophobicContact CB-CD1 4.26Å; P489-F524 HydrophobicContact CB-CD2 4.24Å; P489-F524 HydrophobicContact CB-CG 4.09Å; P489-F524 HydrophobicContact CG-CD1 4.06Å; P489-F524 HydrophobicContact CG-CD2 4.46Å; P489-F524 HydrophobicContact CG-CE1 3.95Å; P489-F524 HydrophobicContact CG-CE2 4.37Å; P489-F524 HydrophobicContact CG-CG 4.32Å; P489-F524 HydrophobicContact CG-CZ 4.11Å
490	T	94.9	Very high	88.1	Confident	26 Å²	26	36.7 Å²	36.7	16%	0.16	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	129.5	170.5	-61.7	0	0	0	0	109.1	E466 Q505 Y506	E466-T490 HydrophobicContact CB-CG2 4.18Å; E466-T490 HydrophobicContact CG-CG2 4.09Å; T490-Q505 VanDerWaalsContact O-CA 3.3Å; T490-Q505 WeakPolarHBondContact O-CA 3.19Å; T490-Y506 HydrophobicContact CG2-CE2 3.94Å; T490-Y506 PolarHBondContact N-O 2.91Å; T490-Y506 PolarHBondContact O-N 3.33Å
491	C	93.2	Very high	87.4	Confident	26 Å²	26	36.7 Å²	36.7	18%	0.176	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	142	168.6	-177.2	0	0	0	0	109	E466 A467 P489 E504 Q505	E466-C491 CarbonylContact C-O 3.58Å; E466-C491 WeakPolarHBondContact CA-O 3.01Å; A467-C491 HydrophobicContact CB-CB 4.47Å; A467-C491 PolarHBondContact N-O 3.32Å; A467-C491 PolarHBondContact O-N 2.95Å; P489-C491 PolarHBondContact O-N 3.47Å; C491-E504 CarbonylContact C-O 3.56Å; C491-E504 WeakPolarHBondContact CA-O 3.46Å; C491-Q505 HydrophobicContact CB-CG 4.45Å
492	C	89.1	Confident	86.8	Confident	3 Å²	3	35 Å²	35	2%	0.02	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	128	175.9	-165.2	0	0	0	0	110.4	V465 I503 E504 Y506	V465-C492 WeakPolarHBondContact O-CA 3.11Å; C492-I503 WeakPolarHBondContact O-CA 3.38Å; C492-E504 HydrophobicContact CB-CB 4.4Å; C492-E504 PolarHBondContact N-O 2.85Å; C492-E504 PolarHBondContact O-N 2.88Å; C492-Y506 HydrophobicContact CB-CE1 3.63Å
493	V	86.3	Confident	86.3	Confident	37 Å²	37	34.6 Å²	34.6	22%	0.224	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	115.8	173.2	-170.2	0	0	0	0	107.7	S464 V465 I496 I503	S464-V493 CarbonylContact C-O 3.53Å; S464-V493 WeakPolarHBondContact CA-O 3.33Å; S464-V493 WeakPolarHBondContact CB-O 3.31Å; V465-V493 PolarHBondContact N-O 3.1Å; V465-V493 PolarHBondContact O-N 2.84Å; V493-I496 HydrophobicContact CB-CG2 4.16Å; V493-I496 HydrophobicContact CG1-CG2 3.79Å; V493-I503 HydrophobicContact CG2-CG1 4.29Å
494	H	84.1	Confident	86	Confident	30 Å²	30	34.9 Å²	34.9	14%	0.139	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	164.2	-178.2	-67.1	-80.6	0	0	0	112	S464 I496 W502 E504	S464-H494 PolarHBondContact OG-ND1 3.14Å; H494-I496 VanDerWaalsContact C-N 3.28Å; H494-I496 PolarHBondContact O-N 3.38Å; H494-W502 HydrophobicContact CB-CD2 4.04Å; H494-W502 VanDerWaalsContact CB-CE2 3.48Å; H494-W502 HydrophobicContact CB-CG 4.23Å; H494-W502 HydrophobicContact CB-CZ2 3.86Å; H494-W502 VanDerWaalsContact CB-NE1 3.33Å; H494-W502 AromaticContact CD2-CD2 3.9Å; H494-W502 AromaticContact CD2-CE2 3.63Å; H494-W502 AromaticContact CD2-CE3 3.89Å; H494-W502 AromaticContact CD2-CH2 3.37Å; H494-W502 WeakPolarHBondContact CD2-CH2 3.37Å; H494-W502 AromaticContact CD2-CZ2 3.37Å; H494-W502 WeakPolarHBondContact CD2-CZ2 3.06Å; H494-W502 AromaticContact CD2-CZ3 3.65Å; H494-W502 AromaticContact CG-CE2 3.69Å; H494-W502 AromaticContact CG-CZ2 3.55Å; H494-W502 PolarHBondContact N-O 3.36Å; H494-W502 AromaticContact NE2-CH2 3.56Å; H494-W502 AromaticContact NE2-CZ2 3.85Å; H494-E504 IonicContact CD2-OE2 2.68Å; H494-E504 IonicContact CE1-OE2 2.62Å; H494-E504 IonicContact NE2-OE2 2.71Å; H494-E504 PolarHBondContact NE2-OE2 3.41Å
495	N	79.8	Confident	85.8	Confident	55 Å²	55	35.1 Å²	35.1	29%	0.294	20%	0.198	S	C	.	.			trans	62	26.9	177.5	-61.8	-15.1	0	0	0	114.7	K463 I497 V498 Q500	K463-N495 PolarHBondContact O-N 3.41Å; N495-I497 PolarHBondContact O-N 3.38Å; N495-V498 WeakPolarHBondContact CB-O 3.18Å; N495-V498 PolarHBondContact O-N 3.45Å; N495-Q500 WeakPolarHBondContact CB-O 3.12Å; N495-Q500 PolarHBondContact ND2-O 3.44Å
496	I	73.2	Confident	85.6	Confident	6 Å²	6	36.9 Å²	36.9	3%	0.031	20%	0.204	C	C	.	.	S	Bend	trans	-67.6	0.7	-178.7	58.2	117	0	0	0	115.4	I330 L334 F460 G462 K463 V465 V493 H494 L501	I330-I496 WeakPolarHBondContact CB-O 3.45Å; I330-I496 HydrophobicContact CG2-CB 4.45Å; I330-I496 WeakPolarHBondContact CG2-O 3.2Å; L334-I496 HydrophobicContact CD1-CD1 3.42Å; L334-I496 VanDerWaalsContact CD1-CD1 3.42Å; F460-I496 HydrophobicContact CD2-CD1 3.72Å; F460-I496 HydrophobicContact CE2-CD1 3.5Å; G462-I496 WeakPolarHBondContact O-CD1 3.43Å; K463-I496 WeakPolarHBondContact O-CG1 3.28Å; K463-I496 PolarHBondContact O-N 2.91Å; K463-I496 VanDerWaalsContact O-N 3.16Å; V465-I496 HydrophobicContact CG2-CD1 3.72Å; V465-I496 HydrophobicContact CG2-CG1 4.1Å; V465-I496 HydrophobicContact CG2-CG2 4.38Å; V493-I496 HydrophobicContact CB-CG2 4.16Å; V493-I496 HydrophobicContact CG1-CG2 3.79Å; H494-I496 VanDerWaalsContact C-N 3.28Å; H494-I496 PolarHBondContact O-N 3.38Å; I496-L501 HydrophobicContact CB-CD2 4.46Å; I496-L501 HydrophobicContact CG2-CD2 3.98Å
497	I	66.2	Low	85.4	Confident	10 Å²	10	37.7 Å²	37.7	5%	0.051	22%	0.215	C	C	.	.	S	Bend	trans	-108.4	-57.6	172.6	-55.8	-175.9	0	0	0	110.4	W331 G462 K463 N495	W331-I497 HydrophobicContact CB-CG2 4.12Å; W331-I497 HydrophobicContact CD2-CB 4.44Å; W331-I497 HydrophobicContact CD2-CG1 4.4Å; W331-I497 HydrophobicContact CD2-CG2 3.58Å; W331-I497 HydrophobicContact CE3-CB 4.27Å; W331-I497 HydrophobicContact CE3-CD1 4.06Å; W331-I497 HydrophobicContact CE3-CG1 3.77Å; W331-I497 HydrophobicContact CE3-CG2 3.83Å; W331-I497 HydrophobicContact CG-CG2 3.7Å; W331-I497 HydrophobicContact CH2-CD1 4.24Å; W331-I497 HydrophobicContact CZ3-CD1 3.79Å; W331-I497 HydrophobicContact CZ3-CG1 4Å; W331-I497 HydrophobicContact CZ3-CG2 4.41Å; G462-I497 VanDerWaalsContact O-CD1 3.24Å; G462-I497 WeakPolarHBondContact O-CD1 3.37Å; K463-I497 HydrophobicContact CG-CD1 4.43Å; N495-I497 PolarHBondContact O-N 3.38Å
498	V	65.4	Low	85.4	Confident	90 Å²	90	40.4 Å²	40.4	55%	0.545	23%	0.227	S	C	.	.	S	Bend	trans	-143.6	141	-178.1	179.3	0	0	0	0	109.2	N495	N495-V498 WeakPolarHBondContact CB-O 3.18Å; N495-V498 PolarHBondContact O-N 3.45Å
499	G	65.8	Low	85.5	Confident	55 Å²	55	39.9 Å²	39.9	57%	0.567	22%	0.224	S	C	*	.	S	Bend	trans	104.5	174.8	177.4	0	0	0	0	0	113.1	L501	G499-L501 PolarHBondContact O-N 3.21Å
500	Q	73.1	Confident	85.5	Confident	168 Å²	168	43.5 Å²	43.5	79%	0.785	24%	0.241	S	C	*	.			trans	-68.2	124.8	177.4	-176.1	177.5	0.7	0	0	110.4	N495	N495-Q500 WeakPolarHBondContact CB-O 3.12Å; N495-Q500 PolarHBondContact ND2-O 3.44Å
501	L	82.3	Confident	85.7	Confident	42 Å²	42	42.3 Å²	42.3	22%	0.22	23%	0.233	C	C	.	.			trans	-62.4	131.9	173.8	-61.9	174.9	0	0	0	110.7	I330 T402 I496 G499	I330-L501 HydrophobicContact CD1-CD1 3.73Å; I330-L501 HydrophobicContact CD1-CD2 4.1Å; T402-L501 HydrophobicContact CG2-CB 3.64Å; I496-L501 HydrophobicContact CB-CD2 4.46Å; I496-L501 HydrophobicContact CG2-CD2 3.98Å; G499-L501 PolarHBondContact O-N 3.21Å
502	W	83.9	Confident	85.9	Confident	68 Å²	68	42.1 Å²	42.1	26%	0.258	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	155.9	172.2	64.7	-80.3	0	0	0	111.2	H494 E504 C527 L534	H494-W502 HydrophobicContact CB-CD2 4.04Å; H494-W502 VanDerWaalsContact CB-CE2 3.48Å; H494-W502 HydrophobicContact CB-CG 4.23Å; H494-W502 HydrophobicContact CB-CZ2 3.86Å; H494-W502 VanDerWaalsContact CB-NE1 3.33Å; H494-W502 AromaticContact CD2-CD2 3.9Å; H494-W502 AromaticContact CD2-CE2 3.63Å; H494-W502 AromaticContact CD2-CE3 3.89Å; H494-W502 AromaticContact CD2-CH2 3.37Å; H494-W502 WeakPolarHBondContact CD2-CH2 3.37Å; H494-W502 AromaticContact CD2-CZ2 3.37Å; H494-W502 WeakPolarHBondContact CD2-CZ2 3.06Å; H494-W502 AromaticContact CD2-CZ3 3.65Å; H494-W502 AromaticContact CG-CE2 3.69Å; H494-W502 AromaticContact CG-CZ2 3.55Å; H494-W502 PolarHBondContact N-O 3.36Å; H494-W502 AromaticContact NE2-CH2 3.56Å; H494-W502 AromaticContact NE2-CZ2 3.85Å; W502-E504 HydrophobicContact CE3-CB 4.32Å; W502-E504 HydrophobicContact CH2-CB 4.34Å; W502-E504 HydrophobicContact CZ3-CB 3.7Å; W502-E504 HydrophobicContact CZ3-CG 4.02Å; W502-C527 HydrophobicContact CH2-CB 4.2Å; W502-L534 HydrophobicContact CE3-CD1 4.33Å; W502-L534 HydrophobicContact CH2-CD1 4.35Å; W502-L534 HydrophobicContact CZ3-CD1 3.63Å
503	I	88.9	Confident	86.4	Confident	5 Å²	5	42 Å²	42	3%	0.026	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	132.7	-175.5	-73.9	172	0	0	0	110	Q398 W399 R401 T402 C492 V493 W556	Q398-I503 VanDerWaalsContact O-CD1 3.27Å; Q398-I503 WeakPolarHBondContact O-CD1 3.41Å; W399-I503 WeakPolarHBondContact CZ3-O 3.22Å; R401-I503 VanDerWaalsContact C-CD1 3.44Å; R401-I503 VanDerWaalsContact O-CD1 3.31Å; R401-I503 WeakPolarHBondContact O-CD1 3.29Å; T402-I503 HydrophobicContact CG2-CD1 4.35Å; T402-I503 HydrophobicContact CG2-CG1 4.39Å; C492-I503 WeakPolarHBondContact O-CA 3.38Å; V493-I503 HydrophobicContact CG2-CG1 4.29Å; I503-W556 HydrophobicContact CG2-CH2 4.23Å
504	E	90.9	Very high	86.9	Confident	9 Å²	9	43.8 Å²	43.8	4%	0.042	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	153.8	172.4	-164.1	177.8	-152.3	0	0	110.3	C491 C492 H494 W502 Y506 P526 C527	C491-E504 CarbonylContact C-O 3.56Å; C491-E504 WeakPolarHBondContact CA-O 3.46Å; C492-E504 HydrophobicContact CB-CB 4.4Å; C492-E504 PolarHBondContact N-O 2.85Å; C492-E504 PolarHBondContact O-N 2.88Å; H494-E504 IonicContact CD2-OE2 2.68Å; H494-E504 IonicContact CE1-OE2 2.62Å; H494-E504 IonicContact NE2-OE2 2.71Å; H494-E504 PolarHBondContact NE2-OE2 3.41Å; W502-E504 HydrophobicContact CE3-CB 4.32Å; W502-E504 HydrophobicContact CH2-CB 4.34Å; W502-E504 HydrophobicContact CZ3-CB 3.7Å; W502-E504 HydrophobicContact CZ3-CG 4.02Å; E504-Y506 HydrophobicContact CG-CD1 3.99Å; E504-P526 VanDerWaalsContact OE1-CA 3.31Å; E504-P526 WeakPolarHBondContact OE1-CA 3.36Å; E504-C527 WeakPolarHBondContact OE1-CB 3.24Å; E504-C527 PolarHBondContact OE1-N 2.68Å
505	Q	94.3	Very high	87.4	Confident	5 Å²	5	49 Å²	49	2%	0.023	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	131.4	165.6	-62.8	-176.6	62.1	0	0	110.2	V395 P489 T490 C491 F524 W556	V395-Q505 VanDerWaalsContact CB-OE1 3.28Å; V395-Q505 PolarHBondContact O-NE2 2.7Å; P489-Q505 HydrophobicContact CG-CB 4.34Å; T490-Q505 VanDerWaalsContact O-CA 3.3Å; T490-Q505 WeakPolarHBondContact O-CA 3.19Å; C491-Q505 HydrophobicContact CB-CG 4.45Å; Q505-F524 HydrophobicContact CB-CD1 4.32Å; Q505-W556 HydrophobicContact CB-CD2 4.47Å; Q505-W556 HydrophobicContact CB-CZ2 4.02Å; Q505-W556 HydrophobicContact CG-CH2 4.16Å; Q505-W556 HydrophobicContact CG-CZ2 3.86Å
506	Y	95	Very high	88.1	Confident	47 Å²	47	47.5 Å²	47.5	18%	0.184	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	161.6	-179.8	54.6	-102.9	0	0	0	112.8	E466 T490 C492 E504 F524 P526	E466-Y506 VanDerWaalsContact CG-OH 3.31Å; E466-Y506 WeakPolarHBondContact CG-OH 3.5Å; E466-Y506 PolarHBondContact OE1-OH 2.94Å; T490-Y506 HydrophobicContact CG2-CE2 3.94Å; T490-Y506 PolarHBondContact N-O 2.91Å; T490-Y506 PolarHBondContact O-N 3.33Å; C492-Y506 HydrophobicContact CB-CE1 3.63Å; E504-Y506 HydrophobicContact CG-CD1 3.99Å; Y506-F524 WeakPolarHBondContact CA-O 3.4Å; Y506-P526 HydrophobicContact CD1-CB 4.45Å; Y506-P526 HydrophobicContact CG-CB 4.44Å
507	G	95.8	Very high	89	Confident	24 Å²	24	48.4 Å²	48.4	25%	0.247	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	130.4	-176.9	177.9	0	0	0	0	0	112.7	N523 F524	G507-N523 WeakPolarHBondContact O-CA 3.48Å; G507-F524 PolarHBondContact N-O 2.82Å; G507-F524 PolarHBondContact O-N 3.16Å
508	N	97.1	Very high	90.4	Very high	121 Å²	121	49.4 Å²	49.4	65%	0.647	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.2	124	176.7	-56.8	-73.5	0	0	0	109.1	L522 N523	N508-L522 CarbonylContact C-O 3.55Å; N508-L522 WeakPolarHBondContact CA-O 3.5Å; N508-N523 PolarHBondContact OD1-ND2 3.35Å
509	V	98.2	Very high	92	Very high	4 Å²	4	48.4 Å²	48.4	2%	0.024	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	121.2	173.7	176	0	0	0	0	107.3	W486 T487 P489 V511 L522 F524	W486-V509 HydrophobicContact CB-CG1 4.05Å; W486-V509 HydrophobicContact CG-CG1 4.3Å; T487-V509 WeakPolarHBondContact O-CG2 3.31Å; P489-V509 HydrophobicContact CB-CG2 4.22Å; P489-V509 HydrophobicContact CG-CG2 4.47Å; V509-V511 HydrophobicContact CG1-CG2 4.35Å; V509-L522 HydrophobicContact CB-CB 4.3Å; V509-L522 PolarHBondContact N-O 3.46Å; V509-L522 PolarHBondContact O-N 3.36Å; V509-F524 HydrophobicContact CB-CE2 4.17Å; V509-F524 HydrophobicContact CG2-CD2 3.89Å; V509-F524 HydrophobicContact CG2-CE2 3.58Å
510	E	98.2	Very high	93.6	Very high	83 Å²	83	45.8 Å²	45.8	39%	0.388	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	109.1	174.9	-165.1	-172.1	-124.4	0	0	109.3	W486 V512 K519 C520	W486-E510 WeakPolarHBondContact CA-O 3.48Å; W486-E510 WeakPolarHBondContact CB-O 3.49Å; E510-V512 HydrophobicContact CG-CG2 3.94Å; E510-V512 WeakPolarHBondContact OE2-CG2 3.5Å; E510-K519 VanDerWaalsContact CD-CD 3.5Å; E510-K519 HydrophobicContact CG-CD 4.04Å; E510-K519 WeakPolarHBondContact OE1-CD 3.49Å; E510-K519 IonicContact OE1-NZ 2.82Å; E510-K519 PolarHBondContact OE1-NZ 2.74Å; E510-K519 IonicContact OE2-NZ 3.25Å; E510-K519 PolarHBondContact OE2-NZ 3.03Å; E510-C520 WeakPolarHBondContact CA-O 3.44Å
511	V	98.6	Very high	94.8	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	118.2	171.7	-174.9	0	0	0	0	108.2	M384 V387 A391 Y484 W486 V509 K519 C520	M384-V511 HydrophobicContact SD-CB 4.27Å; M384-V511 HydrophobicContact SD-CG1 3.91Å; V387-V511 HydrophobicContact CG1-CG1 3.88Å; A391-V511 HydrophobicContact CB-CG2 4.25Å; Y484-V511 HydrophobicContact CD1-CG1 4.09Å; W486-V511 HydrophobicContact CB-CG2 4.01Å; W486-V511 HydrophobicContact CD2-CG2 4.48Å; W486-V511 HydrophobicContact CE3-CG1 4.23Å; W486-V511 HydrophobicContact CG-CG2 4.28Å; V509-V511 HydrophobicContact CG1-CG2 4.35Å; V511-K519 CarbonylContact O-C 3.59Å; V511-K519 VanDerWaalsContact O-CA 3.23Å; V511-K519 WeakPolarHBondContact O-CA 3.49Å; V511-C520 HydrophobicContact CB-CB 4.16Å; V511-C520 PolarHBondContact N-O 2.96Å; V511-C520 PolarHBondContact O-N 3.43Å
512	V	98.3	Very high	95.5	Very high	23 Å²	23	37.9 Å²	37.9	14%	0.139	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	123.1	-176.6	-177.3	0	0	0	0	110.4	Y484 T485 E510 K519	Y484-V512 VanDerWaalsContact CA-O 3.27Å; Y484-V512 WeakPolarHBondContact CA-O 3.31Å; T485-V512 PolarHBondContact N-O 3.37Å; T485-V512 VanDerWaalsContact N-O 3.1Å; T485-V512 PolarHBondContact O-N 2.93Å; E510-V512 HydrophobicContact CG-CG2 3.94Å; E510-V512 WeakPolarHBondContact OE2-CG2 3.5Å; V512-K519 HydrophobicContact CG1-CG 4.32Å; V512-K519 HydrophobicContact CG2-CD 3.96Å; V512-K519 HydrophobicContact CG2-CG 4.12Å
513	N	98.1	Very high	96.2	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	117.2	169.4	-176.4	-39	0	0	0	109.7	M384 E482 A483 Y484 R515 T516 G517 E518	M384-N513 HydrophobicContact CE-CB 3.75Å; E482-N513 PolarHBondContact OE2-ND2 2.9Å; A483-N513 WeakPolarHBondContact O-CA 3.47Å; Y484-N513 HydrophobicContact CD1-CB 3.94Å; Y484-N513 HydrophobicContact CE1-CB 3.81Å; Y484-N513 WeakPolarHBondContact CE1-ND2 3.24Å; Y484-N513 PolarHBondContact OH-ND2 2.96Å; N513-R515 PolarHBondContact O-N 3.25Å; N513-R515 WeakPolarHBondContact OD1-CB 3.26Å; N513-R515 PolarHBondContact OD1-N 3.32Å; N513-T516 PolarHBondContact ND2-OG1 2.93Å; N513-T516 VanDerWaalsContact ND2-OG1 3.15Å; N513-T516 PolarHBondContact OD1-N 2.79Å; N513-T516 VanDerWaalsContact OD1-N 3.07Å; N513-T516 PolarHBondContact OD1-OG1 2.64Å; N513-G517 WeakPolarHBondContact O-CA 3.14Å; N513-G517 PolarHBondContact O-N 2.99Å; N513-E518 PolarHBondContact N-O 3.16Å; N513-E518 VanDerWaalsContact N-O 3.11Å
514	H	97.1	Very high	96.6	Very high	74 Å²	74	37 Å²	37	34%	0.343	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-14.8	-175.4	-69.1	-83.9	0	0	0	114.8	A483 T485 H713	A483-H514 PolarHBondContact O-CD2 3.19Å; A483-H514 PolarHBondContact O-N 3.18Å; T485-H514 WeakPolarHBondContact CG2-NE2 3.38Å; T485-H514 PolarHBondContact OG1-NE2 3.31Å; H514-H713 HydrophobicContact CB-CB 4.41Å
515	R	95.8	Very high	96.7	Very high	139 Å²	139	38.1 Å²	38.1	53%	0.525	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-54.3	177	177.4	62.7	62.7	-151.2	-5.8	111.2	N481 E482 N513	N481-R515 VanDerWaalsContact CG-NH2 3.32Å; N481-R515 PolarHBondContact O-NE 3.01Å; N481-R515 PolarHBondContact O-NH2 3.49Å; N481-R515 PolarHBondContact OD1-NH2 3.17Å; E482-R515 HydrophobicContact CB-CB 4.28Å; E482-R515 HydrophobicContact CG-CB 3.84Å; E482-R515 HydrophobicContact CG-CG 3.98Å; N513-R515 PolarHBondContact O-N 3.25Å; N513-R515 WeakPolarHBondContact OD1-CB 3.26Å; N513-R515 PolarHBondContact OD1-N 3.32Å
516	T	93.4	Very high	96.5	Very high	24 Å²	24	41.4 Å²	41.4	15%	0.147	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-20.1	-170.9	55.9	0	0	0	0	112.7	P380 E482 N513 E518 K544	P380-T516 HydrophobicContact CB-CG2 4.41Å; P380-T516 HydrophobicContact CG-CG2 4.38Å; E482-T516 VanDerWaalsContact OE1-CG2 3.29Å; E482-T516 WeakPolarHBondContact OE1-CG2 3.32Å; N513-T516 PolarHBondContact ND2-OG1 2.93Å; N513-T516 VanDerWaalsContact ND2-OG1 3.15Å; N513-T516 PolarHBondContact OD1-N 2.79Å; N513-T516 VanDerWaalsContact OD1-N 3.07Å; N513-T516 PolarHBondContact OD1-OG1 2.64Å; T516-E518 WeakPolarHBondContact CB-OE2 3.43Å; T516-E518 PolarHBondContact OG1-OE2 3.14Å; T516-K544 WeakPolarHBondContact O-CD 3.4Å; T516-K544 WeakPolarHBondContact O-CE 3.26Å; T516-K544 PolarHBondContact O-NZ 3.43Å
517	G	93.4	Very high	95.7	Very high	25 Å²	25	40.3 Å²	40.3	26%	0.258	22%	0.216	S	C	.	.			trans	83.7	3.5	165.8	0	0	0	0	0	116	N513	N513-G517 WeakPolarHBondContact O-CA 3.14Å; N513-G517 PolarHBondContact O-N 2.99Å
518	E	95.8	Very high	94.7	Very high	30 Å²	30	41.7 Å²	41.7	14%	0.14	23%	0.23	C	C	.	.			trans	-66.7	157.1	165.8	-59.9	70.7	-153	0	0	110.6	I381 M384 N513 T516 L542	I381-E518 HydrophobicContact CD1-CG 3.86Å; M384-E518 HydrophobicContact CE-CB 4.19Å; M384-E518 WeakPolarHBondContact CE-O 3.2Å; N513-E518 PolarHBondContact N-O 3.16Å; N513-E518 VanDerWaalsContact N-O 3.11Å; T516-E518 WeakPolarHBondContact CB-OE2 3.43Å; T516-E518 PolarHBondContact OG1-OE2 3.14Å; E518-L542 VanDerWaalsContact CA-O 3.25Å; E518-L542 WeakPolarHBondContact CA-O 3.46Å; E518-L542 WeakPolarHBondContact CB-O 3.35Å
519	K	97.9	Very high	92.6	Very high	69 Å²	69	44 Å²	44	30%	0.3	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	139.6	177.5	-60.1	-165.3	170.3	-157.5	0	111.4	E510 V511 V512 I541 L542	E510-K519 VanDerWaalsContact CD-CD 3.5Å; E510-K519 HydrophobicContact CG-CD 4.04Å; E510-K519 WeakPolarHBondContact OE1-CD 3.49Å; E510-K519 IonicContact OE1-NZ 2.82Å; E510-K519 PolarHBondContact OE1-NZ 2.74Å; E510-K519 IonicContact OE2-NZ 3.25Å; E510-K519 PolarHBondContact OE2-NZ 3.03Å; V511-K519 CarbonylContact O-C 3.59Å; V511-K519 VanDerWaalsContact O-CA 3.23Å; V511-K519 WeakPolarHBondContact O-CA 3.49Å; V512-K519 HydrophobicContact CG1-CG 4.32Å; V512-K519 HydrophobicContact CG2-CD 3.96Å; V512-K519 HydrophobicContact CG2-CG 4.12Å; K519-I541 CarbonylContact O-C 3.54Å; K519-I541 WeakPolarHBondContact O-CA 3.47Å; K519-L542 PolarHBondContact N-O 3.44Å; K519-L542 PolarHBondContact O-N 3.41Å
520	C	98.6	Very high	91	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	112.1	162.4	-168.5	0	0	0	0	109.4	M384 A388 E510 V511 Y540 I541	M384-C520 HydrophobicContact CG-CB 4.07Å; M384-C520 HydrophobicContact SD-CB 3.79Å; A388-C520 HydrophobicContact CB-CB 4Å; A388-C520 VanDerWaalsContact CB-SG 3.59Å; E510-C520 WeakPolarHBondContact CA-O 3.44Å; V511-C520 HydrophobicContact CB-CB 4.16Å; V511-C520 PolarHBondContact N-O 2.96Å; V511-C520 PolarHBondContact O-N 3.43Å; C520-Y540 WeakPolarHBondContact CA-O 3.41Å; C520-I541 HydrophobicContact CB-CG1 3.94Å
521	C	98.4	Very high	89.8	Confident	42 Å²	42	49.8 Å²	49.8	28%	0.284	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	107.1	175.5	-56.6	0	0	0	0	108.7	G539 Y540	C521-G539 CarbonylContact O-C 3.54Å; C521-G539 WeakPolarHBondContact O-CA 3.42Å; C521-Y540 PolarHBondContact N-O 3Å; C521-Y540 PolarHBondContact O-N 3.41Å
522	L	98.4	Very high	88.7	Confident	3 Å²	3	57.2 Å²	57.2	2%	0.016	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	142.6	176.9	-60.6	170.9	0	0	0	110.1	A388 V392 N508 V509 F524 V537 L552	A388-L522 HydrophobicContact CB-CD1 4.47Å; V392-L522 HydrophobicContact CG2-CD1 3.68Å; N508-L522 CarbonylContact C-O 3.55Å; N508-L522 WeakPolarHBondContact CA-O 3.5Å; V509-L522 HydrophobicContact CB-CB 4.3Å; V509-L522 PolarHBondContact N-O 3.46Å; V509-L522 PolarHBondContact O-N 3.36Å; L522-F524 HydrophobicContact CB-CE2 4.39Å; L522-V537 HydrophobicContact CB-CG1 4.21Å; L522-V537 HydrophobicContact CD2-CG1 4.16Å; L522-L552 HydrophobicContact CD2-CB 4.18Å; L522-L552 HydrophobicContact CD2-CD2 4.36Å
523	N	97.9	Very high	87.9	Confident	51 Å²	51	59.1 Å²	59.1	27%	0.273	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	104.8	179.3	178.5	-78.7	0	0	0	107.8	G507 N508 K525 E538	G507-N523 WeakPolarHBondContact O-CA 3.48Å; N508-N523 PolarHBondContact OD1-ND2 3.35Å; N523-K525 WeakPolarHBondContact OD1-CD 3.43Å; N523-K525 VanDerWaalsContact OD1-CE 3.29Å; N523-K525 WeakPolarHBondContact OD1-CE 3.32Å; N523-K525 PolarHBondContact OD1-NZ 2.97Å; N523-E538 WeakPolarHBondContact CB-O 3.44Å; N523-E538 PolarHBondContact N-O 2.71Å; N523-E538 PolarHBondContact O-N 2.86Å
524	F	97.5	Very high	87.3	Confident	2 Å²	2	61.6 Å²	61.6	1%	0.009	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	116.9	172.1	-71.9	-115.7	0	0	0	107	V392 V395 P489 Q505 Y506 G507 V509 L522 V537 W556	V392-F524 HydrophobicContact CG2-CE2 4.46Å; V392-F524 HydrophobicContact CG2-CZ 3.99Å; V395-F524 HydrophobicContact CG2-CE1 4.01Å; V395-F524 HydrophobicContact CG2-CZ 4.24Å; P489-F524 HydrophobicContact CB-CB 4.44Å; P489-F524 HydrophobicContact CB-CD1 4.26Å; P489-F524 HydrophobicContact CB-CD2 4.24Å; P489-F524 HydrophobicContact CB-CG 4.09Å; P489-F524 HydrophobicContact CG-CD1 4.06Å; P489-F524 HydrophobicContact CG-CD2 4.46Å; P489-F524 HydrophobicContact CG-CE1 3.95Å; P489-F524 HydrophobicContact CG-CE2 4.37Å; P489-F524 HydrophobicContact CG-CG 4.32Å; P489-F524 HydrophobicContact CG-CZ 4.11Å; Q505-F524 HydrophobicContact CB-CD1 4.32Å; Y506-F524 WeakPolarHBondContact CA-O 3.4Å; G507-F524 PolarHBondContact N-O 2.82Å; G507-F524 PolarHBondContact O-N 3.16Å; V509-F524 HydrophobicContact CB-CE2 4.17Å; V509-F524 HydrophobicContact CG2-CD2 3.89Å; V509-F524 HydrophobicContact CG2-CE2 3.58Å; L522-F524 HydrophobicContact CB-CE2 4.39Å; F524-V537 HydrophobicContact CD1-CG2 3.73Å; F524-V537 HydrophobicContact CD2-CG1 4.32Å; F524-V537 HydrophobicContact CD2-CG2 4.39Å; F524-V537 HydrophobicContact CE1-CG2 3.83Å; F524-V537 HydrophobicContact CE2-CG1 4.28Å; F524-V537 HydrophobicContact CE2-CG2 4.46Å; F524-V537 HydrophobicContact CG-CG2 4.02Å; F524-V537 HydrophobicContact CZ-CG2 4.21Å; F524-W556 HydrophobicContact CD1-CB 4.32Å; F524-W556 AromaticContact CD1-CD1 3.71Å; F524-W556 HydrophobicContact CD1-CG 4.17Å; F524-W556 HydrophobicContact CE1-CB 3.85Å; F524-W556 HydrophobicContact CE1-CG 4.12Å
525	K	92.9	Very high	87.1	Confident	34 Å²	34	58.5 Å²	58.5	15%	0.148	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-80	135.3	-171.7	-56.8	-67.5	172.1	-169.7	0	111.3	N523 E533 K536 E538	N523-K525 WeakPolarHBondContact OD1-CD 3.43Å; N523-K525 VanDerWaalsContact OD1-CE 3.29Å; N523-K525 WeakPolarHBondContact OD1-CE 3.32Å; N523-K525 PolarHBondContact OD1-NZ 2.97Å; K525-E533 HydrophobicContact CB-CB 3.81Å; K525-E533 WeakPolarHBondContact CB-O 3.48Å; K525-E533 HydrophobicContact CG-CB 4.29Å; K525-K536 HydrophobicContact CB-CB 4.1Å; K525-K536 HydrophobicContact CG-CB 3.63Å; K525-K536 WeakPolarHBondContact CG-O 3.43Å; K525-K536 PolarHBondContact N-O 3.27Å; K525-E538 VanDerWaalsContact CE-CD 3.41Å; K525-E538 VanDerWaalsContact CE-CG 3.46Å; K525-E538 WeakPolarHBondContact CE-OE2 3.5Å; K525-E538 IonicContact NZ-OE2 2.88Å; K525-E538 PolarHBondContact NZ-OE2 2.62Å
526	P	89.3	Confident	87.1	Confident	74 Å²	74	54.9 Å²	54.9	48%	0.481	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-69.3	139.6	158.3	31.1	-32.6	0	0	0	109.9	E504 Y506 G528 E533	E504-P526 VanDerWaalsContact OE1-CA 3.31Å; E504-P526 WeakPolarHBondContact OE1-CA 3.36Å; Y506-P526 HydrophobicContact CD1-CB 4.45Å; Y506-P526 HydrophobicContact CG-CB 4.44Å; P526-G528 PolarHBondContact O-N 3.07Å; P526-G528 VanDerWaalsContact O-N 3.12Å; P526-E533 WeakPolarHBondContact O-CB 3.29Å
527	C	79.3	Confident	87.3	Confident	24 Å²	24	53.8 Å²	53.8	16%	0.162	30%	0.295	C	S	.	.			trans	-41.1	-42.6	176.7	176.4	0	0	0	0	113.7	W502 E504 G531 L534	W502-C527 HydrophobicContact CH2-CB 4.2Å; E504-C527 WeakPolarHBondContact OE1-CB 3.24Å; E504-C527 PolarHBondContact OE1-N 2.68Å; C527-G531 CarbonylContact O-C 3.56Å; C527-G531 PolarHBondContact O-N 3.07Å; C527-L534 HydrophobicContact CB-CB 4.4Å; C527-L534 HydrophobicContact CB-CD1 3.86Å
528	G	73.6	Confident	87.5	Confident	52 Å²	52	54.3 Å²	54.3	54%	0.536	29%	0.291	S	S	.	.			trans	70.2	177.3	178.1	0	0	0	0	0	113.7	P526 F530 G531	P526-G528 PolarHBondContact O-N 3.07Å; P526-G528 VanDerWaalsContact O-N 3.12Å; G528-F530 PolarHBondContact O-N 2.98Å; G528-G531 PolarHBondContact O-N 3.41Å
529	L	53.4	Low	87.6	Confident	170 Å²	170	53.1 Å²	53.1	89%	0.89	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-1.6	-171.5	-63.6	174	0	0	0	116.2
530	F	65.3	Low	87.6	Confident	172 Å²	172	51.7 Å²	51.7	75%	0.754	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-144.4	15.9	-175.1	-60.2	-71.9	0	0	0	114	G528 K532	G528-F530 PolarHBondContact O-N 2.98Å; F530-K532 HydrophobicContact CB-CG 4.29Å; F530-K532 WeakPolarHBondContact O-CG 3.11Å; F530-K532 PolarHBondContact O-N 3.11Å
531	G	72.4	Confident	87.6	Confident	36 Å²	36	51.7 Å²	51.7	37%	0.371	28%	0.28	S	S	.	.	S	Bend	trans	69.5	-15	176.4	0	0	0	0	0	117.4	C527 G528 E533 L534	C527-G531 CarbonylContact O-C 3.56Å; C527-G531 PolarHBondContact O-N 3.07Å; G528-G531 PolarHBondContact O-N 3.41Å; G531-E533 PolarHBondContact O-N 3.48Å; G531-L534 WeakPolarHBondContact O-CB 3.39Å; G531-L534 PolarHBondContact O-N 2.98Å
532	K	75.1	Confident	87.6	Confident	157 Å²	157	51.3 Å²	51.3	68%	0.683	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-20.2	-167.6	-59.6	-162	176.8	-165.6	0	115.5	F530 K536	F530-K532 HydrophobicContact CB-CG 4.29Å; F530-K532 WeakPolarHBondContact O-CG 3.11Å; F530-K532 PolarHBondContact O-N 3.11Å; K532-K536 WeakPolarHBondContact O-CE 3.41Å; K532-K536 PolarHBondContact O-NZ 3.24Å; K532-K536 VanDerWaalsContact O-NZ 3.08Å
533	E	82.9	Confident	87.4	Confident	63 Å²	63	53 Å²	53	29%	0.294	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104	3.7	-179.5	-58.2	-61.3	105.1	0	0	112.8	K525 P526 G531 H535 K536	K525-E533 HydrophobicContact CB-CB 3.81Å; K525-E533 WeakPolarHBondContact CB-O 3.48Å; K525-E533 HydrophobicContact CG-CB 4.29Å; P526-E533 WeakPolarHBondContact O-CB 3.29Å; G531-E533 PolarHBondContact O-N 3.48Å; E533-H535 PolarHBondContact O-N 3.42Å; E533-K536 WeakPolarHBondContact O-CB 3.4Å; E533-K536 PolarHBondContact O-N 3.05Å; E533-K536 IonicContact OE1-NZ 2.94Å; E533-K536 PolarHBondContact OE1-NZ 3.13Å; E533-K536 IonicContact OE2-NZ 2.73Å
534	L	86	Confident	87.1	Confident	53 Å²	53	57.6 Å²	57.6	28%	0.277	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	126.3	-177	-176.7	65	0	0	0	112	W502 C527 G531 K536 K555	W502-L534 HydrophobicContact CE3-CD1 4.33Å; W502-L534 HydrophobicContact CH2-CD1 4.35Å; W502-L534 HydrophobicContact CZ3-CD1 3.63Å; C527-L534 HydrophobicContact CB-CB 4.4Å; C527-L534 HydrophobicContact CB-CD1 3.86Å; G531-L534 WeakPolarHBondContact O-CB 3.39Å; G531-L534 PolarHBondContact O-N 2.98Å; L534-K536 PolarHBondContact O-N 2.95Å; L534-K536 VanDerWaalsContact O-N 3.07Å; L534-K555 WeakPolarHBondContact O-CE 3.45Å
535	H	92	Very high	86.9	Confident	9 Å²	9	62.3 Å²	62.3	4%	0.042	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.4	2.2	-176.9	-45.5	153.7	0	0	0	116.8	W399 E533 V537 K555 W556 T557	W399-H535 AromaticContact CD2-CE1 3.95Å; W399-H535 AromaticContact CE3-CE1 3.43Å; W399-H535 VanDerWaalsContact CE3-CE1 3.43Å; W399-H535 AromaticContact CE3-NE2 3.57Å; W399-H535 AromaticContact CH2-CE1 3.6Å; W399-H535 AromaticContact CH2-NE2 3.97Å; W399-H535 AromaticContact CZ3-CE1 3.24Å; W399-H535 WeakPolarHBondContact CZ3-CE1 3.19Å; W399-H535 AromaticContact CZ3-NE2 3.26Å; W399-H535 VanDerWaalsContact CZ3-NE2 3.26Å; W399-H535 WeakPolarHBondContact CZ3-NE2 3.47Å; E533-H535 PolarHBondContact O-N 3.42Å; H535-V537 PolarHBondContact O-N 3.45Å; H535-K555 HydrophobicContact CB-CB 4.28Å; H535-K555 HydrophobicContact CB-CD 4.5Å; H535-K555 HydrophobicContact CB-CG 4.29Å; H535-K555 WeakPolarHBondContact O-CA 3.42Å; H535-W556 AromaticContact CD2-CE2 3.9Å; H535-W556 AromaticContact CD2-CZ2 3.63Å; H535-W556 AromaticContact CD2-NE1 3.98Å; H535-W556 PolarHBondContact O-N 3.42Å; H535-W556 VanDerWaalsContact O-N 3.12Å; H535-T557 HydrophobicContact CB-CG2 4.01Å; H535-T557 WeakPolarHBondContact ND1-CG2 3.45Å; H535-T557 PolarHBondContact ND1-OG1 3.37Å
536	K	95.2	Very high	86.9	Confident	63 Å²	63	69.1 Å²	69.1	27%	0.274	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	139.4	-178.2	-73.9	-171.6	-173.4	169.5	0	111.3	K525 K532 E533 L534 G554 K555	K525-K536 HydrophobicContact CB-CB 4.1Å; K525-K536 HydrophobicContact CG-CB 3.63Å; K525-K536 WeakPolarHBondContact CG-O 3.43Å; K525-K536 PolarHBondContact N-O 3.27Å; K532-K536 WeakPolarHBondContact O-CE 3.41Å; K532-K536 PolarHBondContact O-NZ 3.24Å; K532-K536 VanDerWaalsContact O-NZ 3.08Å; E533-K536 WeakPolarHBondContact O-CB 3.4Å; E533-K536 PolarHBondContact O-N 3.05Å; E533-K536 IonicContact OE1-NZ 2.94Å; E533-K536 PolarHBondContact OE1-NZ 3.13Å; E533-K536 IonicContact OE2-NZ 2.73Å; L534-K536 PolarHBondContact O-N 2.95Å; L534-K536 VanDerWaalsContact O-N 3.07Å; K536-G554 WeakPolarHBondContact CA-O 3.47Å; K536-K555 HydrophobicContact CG-CG 4.39Å
537	V	97.8	Very high	87.3	Confident	0 Å²	0	72 Å²	72	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	130.1	165.5	-175.8	0	0	0	0	107.2	V392 L522 F524 H535 Y553 G554 W556 L560	V392-V537 HydrophobicContact CG2-CG1 4.35Å; L522-V537 HydrophobicContact CB-CG1 4.21Å; L522-V537 HydrophobicContact CD2-CG1 4.16Å; F524-V537 HydrophobicContact CD1-CG2 3.73Å; F524-V537 HydrophobicContact CD2-CG1 4.32Å; F524-V537 HydrophobicContact CD2-CG2 4.39Å; F524-V537 HydrophobicContact CE1-CG2 3.83Å; F524-V537 HydrophobicContact CE2-CG1 4.28Å; F524-V537 HydrophobicContact CE2-CG2 4.46Å; F524-V537 HydrophobicContact CG-CG2 4.02Å; F524-V537 HydrophobicContact CZ-CG2 4.21Å; H535-V537 PolarHBondContact O-N 3.45Å; V537-Y553 CarbonylContact O-C 3.59Å; V537-Y553 VanDerWaalsContact O-CA 3.28Å; V537-Y553 WeakPolarHBondContact O-CA 3.49Å; V537-G554 PolarHBondContact N-O 2.84Å; V537-G554 PolarHBondContact O-N 2.95Å; V537-W556 HydrophobicContact CG2-CB 3.94Å; V537-L560 HydrophobicContact CB-CD1 4.46Å; V537-L560 HydrophobicContact CG1-CD1 4.41Å
538	E	97.6	Very high	88.1	Confident	36 Å²	36	74.3 Å²	74.3	17%	0.168	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	142.6	172.3	-60.5	-170.6	140.6	0	0	110	N523 K525 L552 F568 K572	N523-E538 WeakPolarHBondContact CB-O 3.44Å; N523-E538 PolarHBondContact N-O 2.71Å; N523-E538 PolarHBondContact O-N 2.86Å; K525-E538 VanDerWaalsContact CE-CD 3.41Å; K525-E538 VanDerWaalsContact CE-CG 3.46Å; K525-E538 WeakPolarHBondContact CE-OE2 3.5Å; K525-E538 IonicContact NZ-OE2 2.88Å; K525-E538 PolarHBondContact NZ-OE2 2.62Å; E538-L552 CarbonylContact C-O 3.59Å; E538-L552 WeakPolarHBondContact CA-O 3.28Å; E538-F568 HydrophobicContact CG-CZ 4.37Å; E538-K572 IonicContact OE1-NZ 3.54Å; E538-K572 PolarHBondContact OE1-NZ 3Å; E538-K572 IonicContact OE2-NZ 3.92Å; E538-K572 PolarHBondContact OE2-NZ 2.85Å
539	G	97.9	Very high	89.3	Confident	5 Å²	5	74.3 Å²	74.3	5%	0.052	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170	-174.7	178.6	0	0	0	0	0	115.1	C521 A551 L552	C521-G539 CarbonylContact O-C 3.54Å; C521-G539 WeakPolarHBondContact O-CA 3.42Å; G539-A551 WeakPolarHBondContact O-CA 3.46Å; G539-L552 PolarHBondContact N-O 2.94Å; G539-L552 PolarHBondContact O-N 3.21Å
540	Y	98.5	Very high	91.3	Very high	40 Å²	40	67 Å²	67	16%	0.157	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	143	177.2	-60.4	-86.8	0	0	0	111.3	C520 C521 K548 C550 A551 F568 E569	C520-Y540 WeakPolarHBondContact CA-O 3.41Å; C521-Y540 PolarHBondContact N-O 3Å; C521-Y540 PolarHBondContact O-N 3.41Å; Y540-K548 HydrophobicContact CD1-CB 4.23Å; Y540-K548 HydrophobicContact CD1-CD 3.56Å; Y540-K548 HydrophobicContact CD1-CG 3.8Å; Y540-K548 HydrophobicContact CE1-CD 3.55Å; Y540-K548 HydrophobicContact CE1-CG 4.32Å; Y540-K548 HydrophobicContact CG-CD 4.07Å; Y540-K548 HydrophobicContact CG-CG 4.03Å; Y540-K548 PolarHBondContact OH-NZ 3.49Å; Y540-C550 VanDerWaalsContact CA-O 3.22Å; Y540-C550 WeakPolarHBondContact CA-O 3.2Å; Y540-A551 HydrophobicContact CD1-CB 3.8Å; Y540-A551 HydrophobicContact CE1-CB 3.62Å; Y540-F568 HydrophobicContact CE1-CD1 4.13Å; Y540-F568 AromaticContact CZ-CD1 3.94Å; Y540-F568 WeakPolarHBondContact OH-CD1 3.44Å; Y540-F568 WeakPolarHBondContact OH-CE1 3.5Å; Y540-E569 PolarHBondContact OH-OE1 2.86Å
541	I	98.6	Very high	92.9	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	129.2	158.6	-67.2	166.9	0	0	0	107.7	M384 K385 K519 C520 L549 C550 L552	M384-I541 HydrophobicContact CB-CD1 4.16Å; M384-I541 HydrophobicContact CG-CD1 3.8Å; M384-I541 HydrophobicContact CG-CG1 3.79Å; M384-I541 HydrophobicContact CG-CG2 4.06Å; K385-I541 HydrophobicContact CB-CD1 4.42Å; K385-I541 HydrophobicContact CG-CD1 3.68Å; K519-I541 CarbonylContact O-C 3.54Å; K519-I541 WeakPolarHBondContact O-CA 3.47Å; C520-I541 HydrophobicContact CB-CG1 3.94Å; I541-L549 HydrophobicContact CG2-CB 4.36Å; I541-L549 HydrophobicContact CG2-CD1 4.31Å; I541-L549 PolarHBondContact O-N 3.27Å; I541-C550 HydrophobicContact CB-CB 4.45Å; I541-C550 PolarHBondContact N-O 2.88Å; I541-L552 HydrophobicContact CD1-CD1 3.96Å; I541-L552 HydrophobicContact CG1-CD1 3.75Å
542	L	97.8	Very high	94.2	Very high	34 Å²	34	57.1 Å²	57.1	18%	0.178	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	138.4	-177.3	-54.6	-177.4	0	0	0	110.1	E518 K519 K547 K548	E518-L542 VanDerWaalsContact CA-O 3.25Å; E518-L542 WeakPolarHBondContact CA-O 3.46Å; E518-L542 WeakPolarHBondContact CB-O 3.35Å; K519-L542 PolarHBondContact N-O 3.44Å; K519-L542 PolarHBondContact O-N 3.41Å; L542-K547 WeakPolarHBondContact CA-O 3.23Å; L542-K548 HydrophobicContact CD2-CB 4.43Å; L542-K548 HydrophobicContact CD2-CG 3.89Å
543	D	94.3	Very high	95.3	Very high	38 Å²	38	50.4 Å²	50.4	20%	0.203	24%	0.243	C	C	.	.			trans	-76.2	174.5	169.2	74.1	8.9	0	0	0	112.9	S545 K546 K547 L549	D543-S545 PolarHBondContact O-N 3.27Å; D543-S545 WeakPolarHBondContact OD1-CA 3.3Å; D543-S545 VanDerWaalsContact OD1-CB 3.25Å; D543-S545 WeakPolarHBondContact OD1-CB 3.37Å; D543-S545 PolarHBondContact OD1-N 2.68Å; D543-K546 WeakPolarHBondContact O-CA 3.44Å; D543-K546 PolarHBondContact O-N 3.07Å; D543-K546 PolarHBondContact OD1-N 2.92Å; D543-K547 PolarHBondContact N-O 2.99Å; D543-K547 WeakPolarHBondContact OD1-CB 3.24Å; D543-K547 PolarHBondContact OD1-N 3.26Å; D543-K547 WeakPolarHBondContact OD2-CB 3.45Å; D543-L549 HydrophobicContact CB-CD1 4.07Å; D543-L549 HydrophobicContact CB-CD2 4.27Å; D543-L549 HydrophobicContact CB-CG 4.24Å
544	K	91.3	Very high	96	Very high	147 Å²	147	47.6 Å²	47.6	64%	0.639	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-24.8	171.9	-85.5	171.5	159.3	138	0	114.2	T516	T516-K544 WeakPolarHBondContact O-CD 3.4Å; T516-K544 WeakPolarHBondContact O-CE 3.26Å; T516-K544 PolarHBondContact O-NZ 3.43Å
545	S	93.6	Very high	96.4	Very high	102 Å²	102	47 Å²	47	71%	0.713	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.3	6.5	177.7	-49	0	0	0	0	113	D543 K547	D543-S545 PolarHBondContact O-N 3.27Å; D543-S545 WeakPolarHBondContact OD1-CA 3.3Å; D543-S545 VanDerWaalsContact OD1-CB 3.25Å; D543-S545 WeakPolarHBondContact OD1-CB 3.37Å; D543-S545 PolarHBondContact OD1-N 2.68Å; S545-K547 PolarHBondContact O-N 2.87Å
546	K	93.8	Very high	96.6	Very high	177 Å²	177	46.5 Å²	46.5	77%	0.77	23%	0.225	S	C	*	.			trans	63.6	18.6	-174.3	-52	-178.3	-179.2	-178.4	0	114.6	D543	D543-K546 WeakPolarHBondContact O-CA 3.44Å; D543-K546 PolarHBondContact O-N 3.07Å; D543-K546 PolarHBondContact OD1-N 2.92Å
547	K	96.4	Very high	96.6	Very high	133 Å²	133	44.2 Å²	44.2	58%	0.578	22%	0.216	S	C	*	.			trans	-73.4	130.5	173	-176.5	-163.9	169.4	-166.5	0	109.3	L542 D543 S545 L549	L542-K547 WeakPolarHBondContact CA-O 3.23Å; D543-K547 PolarHBondContact N-O 2.99Å; D543-K547 WeakPolarHBondContact OD1-CB 3.24Å; D543-K547 PolarHBondContact OD1-N 3.26Å; D543-K547 WeakPolarHBondContact OD2-CB 3.45Å; S545-K547 PolarHBondContact O-N 2.87Å; K547-L549 HydrophobicContact CD-CD2 4.3Å; K547-L549 PolarHBondContact O-N 2.88Å
548	K	97.6	Very high	96.5	Very high	74 Å²	74	45.9 Å²	45.9	32%	0.322	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	122.5	169	-65	176.2	172.4	-171.7	0	109.9	Y540 L542 P565 E569	Y540-K548 HydrophobicContact CD1-CB 4.23Å; Y540-K548 HydrophobicContact CD1-CD 3.56Å; Y540-K548 HydrophobicContact CD1-CG 3.8Å; Y540-K548 HydrophobicContact CE1-CD 3.55Å; Y540-K548 HydrophobicContact CE1-CG 4.32Å; Y540-K548 HydrophobicContact CG-CD 4.07Å; Y540-K548 HydrophobicContact CG-CG 4.03Å; Y540-K548 PolarHBondContact OH-NZ 3.49Å; L542-K548 HydrophobicContact CD2-CB 4.43Å; L542-K548 HydrophobicContact CD2-CG 3.89Å; K548-P565 HydrophobicContact CB-CB 4.02Å; K548-P565 HydrophobicContact CB-CG 3.95Å; K548-P565 HydrophobicContact CD-CB 4.34Å; K548-E569 IonicContact NZ-OE1 2.9Å; K548-E569 PolarHBondContact NZ-OE1 3.23Å
549	L	97.2	Very high	96.5	Very high	52 Å²	52	44.1 Å²	44.1	27%	0.272	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	-44.6	173.4	-59.6	-175.4	0	0	0	111.3	I381 I541 D543 K547	I381-L549 HydrophobicContact CD1-CD1 3.49Å; I381-L549 VanDerWaalsContact CD1-CD1 3.49Å; I381-L549 HydrophobicContact CG1-CD1 4.17Å; I541-L549 HydrophobicContact CG2-CB 4.36Å; I541-L549 HydrophobicContact CG2-CD1 4.31Å; I541-L549 PolarHBondContact O-N 3.27Å; D543-L549 HydrophobicContact CB-CD1 4.07Å; D543-L549 HydrophobicContact CB-CD2 4.27Å; D543-L549 HydrophobicContact CB-CG 4.24Å; K547-L549 HydrophobicContact CD-CD2 4.3Å; K547-L549 PolarHBondContact O-N 2.88Å
550	C	96.8	Very high	96.5	Very high	17 Å²	17	43.9 Å²	43.9	12%	0.115	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	150.2	177.7	-53.4	0	0	0	0	110.1	Y540 I541 L552 V562	Y540-C550 VanDerWaalsContact CA-O 3.22Å; Y540-C550 WeakPolarHBondContact CA-O 3.2Å; I541-C550 HydrophobicContact CB-CB 4.45Å; I541-C550 PolarHBondContact N-O 2.88Å; C550-L552 HydrophobicContact CB-CD1 4.42Å; C550-V562 HydrophobicContact CB-CG2 3.49Å; C550-V562 VanDerWaalsContact CB-CG2 3.49Å
551	A	98.4	Very high	96.5	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	135.4	166.7	0	0	0	0	0	109.6	G539 Y540 V562 V563 F568	G539-A551 WeakPolarHBondContact O-CA 3.46Å; Y540-A551 HydrophobicContact CD1-CB 3.8Å; Y540-A551 HydrophobicContact CE1-CB 3.62Å; A551-V562 CarbonylContact O-C 3.5Å; A551-V562 VanDerWaalsContact O-CA 3.31Å; A551-V562 WeakPolarHBondContact O-CA 3.26Å; A551-V562 WeakPolarHBondContact O-CG2 3.31Å; A551-V563 HydrophobicContact CB-CG1 4.18Å; A551-V563 PolarHBondContact N-O 3.28Å; A551-V563 PolarHBondContact O-N 3.08Å; A551-F568 HydrophobicContact CB-CB 3.53Å; A551-F568 HydrophobicContact CB-CD1 3.89Å; A551-F568 HydrophobicContact CB-CD2 4.25Å; A551-F568 HydrophobicContact CB-CG 3.63Å
552	L	98.6	Very high	96.5	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	138.4	176.6	-71.2	83.2	0	0	0	108.9	A388 L522 E538 G539 I541 C550 L560 Y561 V562 L613	A388-L552 HydrophobicContact CB-CD2 3.97Å; L522-L552 HydrophobicContact CD2-CB 4.18Å; L522-L552 HydrophobicContact CD2-CD2 4.36Å; E538-L552 CarbonylContact C-O 3.59Å; E538-L552 WeakPolarHBondContact CA-O 3.28Å; G539-L552 PolarHBondContact N-O 2.94Å; G539-L552 PolarHBondContact O-N 3.21Å; I541-L552 HydrophobicContact CD1-CD1 3.96Å; I541-L552 HydrophobicContact CG1-CD1 3.75Å; C550-L552 HydrophobicContact CB-CD1 4.42Å; L552-L560 HydrophobicContact CD2-CD2 4.17Å; L552-Y561 WeakPolarHBondContact CA-O 3.35Å; L552-V562 HydrophobicContact CD1-CG2 4.07Å; L552-V562 HydrophobicContact CG-CB 4.22Å; L552-V562 HydrophobicContact CG-CG2 3.99Å; L552-L613 HydrophobicContact CD2-CD1 3.94Å
553	Y	98.4	Very high	96.5	Very high	15 Å²	15	41.7 Å²	41.7	6%	0.059	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	157.3	-179.8	74.3	-79.7	0	0	0	112	V537 Y561 V563 F568 V604 E605 I607 S610	V537-Y553 CarbonylContact O-C 3.59Å; V537-Y553 VanDerWaalsContact O-CA 3.28Å; V537-Y553 WeakPolarHBondContact O-CA 3.49Å; Y553-Y561 HydrophobicContact CE2-CD2 4.29Å; Y553-Y561 PolarHBondContact N-O 2.96Å; Y553-Y561 PolarHBondContact O-N 3.37Å; Y553-V563 HydrophobicContact CD1-CG1 4.08Å; Y553-V563 HydrophobicContact CE1-CB 4.19Å; Y553-V563 HydrophobicContact CE1-CG1 3.83Å; Y553-F568 HydrophobicContact CD1-CD2 4.13Å; Y553-F568 HydrophobicContact CD1-CE2 4.18Å; Y553-F568 HydrophobicContact CG-CD2 4.34Å; Y553-F568 AromaticContact CG-CE2 3.94Å; Y553-F568 HydrophobicContact CG-CE2 3.94Å; Y553-V604 HydrophobicContact CD2-CG1 4.36Å; Y553-V604 HydrophobicContact CE2-CG1 4.1Å; Y553-E605 WeakPolarHBondContact CE2-O 3.47Å; Y553-I607 HydrophobicContact CD1-CD1 4.26Å; Y553-I607 HydrophobicContact CD2-CD1 4.49Å; Y553-I607 HydrophobicContact CE1-CB 4.39Å; Y553-I607 HydrophobicContact CE1-CD1 3.96Å; Y553-I607 HydrophobicContact CE1-CG1 4.3Å; Y553-I607 HydrophobicContact CE2-CD1 4.2Å; Y553-I607 HydrophobicContact CE2-CG1 4.15Å; Y553-I607 PolarHBondContact OH-N 2.68Å; Y553-S610 WeakPolarHBondContact CE1-OG 3.33Å; Y553-S610 WeakPolarHBondContact OH-CB 3.3Å; Y553-S610 PolarHBondContact OH-OG 2.79Å
554	G	97.4	Very high	96.7	Very high	5 Å²	5	44.4 Å²	44.4	5%	0.052	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	155.4	-147.9	175.9	0	0	0	0	0	111.3	K536 V537 S559	K536-G554 WeakPolarHBondContact CA-O 3.47Å; V537-G554 PolarHBondContact N-O 2.84Å; V537-G554 PolarHBondContact O-N 2.95Å; G554-S559 CarbonylContact C-O 3.45Å; G554-S559 WeakPolarHBondContact CA-O 3.46Å
555	K	96.4	Very high	96.9	Very high	39 Å²	39	38.2 Å²	38.2	17%	0.17	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	136.4	174.6	-76.2	176	163	-173.1	0	110.8	L534 H535 K536 T557 E558 S559 T603 V604	L534-K555 WeakPolarHBondContact O-CE 3.45Å; H535-K555 HydrophobicContact CB-CB 4.28Å; H535-K555 HydrophobicContact CB-CD 4.5Å; H535-K555 HydrophobicContact CB-CG 4.29Å; H535-K555 WeakPolarHBondContact O-CA 3.42Å; K536-K555 HydrophobicContact CG-CG 4.39Å; K555-T557 PolarHBondContact O-N 3.14Å; K555-T557 VanDerWaalsContact O-N 3.12Å; K555-E558 HydrophobicContact CB-CB 4.27Å; K555-E558 WeakPolarHBondContact CD-OE1 3.38Å; K555-E558 IonicContact NZ-OE1 2.64Å; K555-E558 PolarHBondContact NZ-OE1 3.06Å; K555-E558 PolarHBondContact O-N 3.47Å; K555-S559 PolarHBondContact N-O 3.41Å; K555-S559 PolarHBondContact O-N 3.01Å; K555-S559 VanDerWaalsContact O-O 3.08Å; K555-T603 PolarHBondContact NZ-OG1 3.47Å; K555-V604 HydrophobicContact CB-CG2 4.12Å; K555-V604 HydrophobicContact CD-CG2 4.02Å; K555-V604 HydrophobicContact CG-CG2 4.02Å
556	W	96.1	Very high	97.1	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-12.4	-179.6	66.1	-100.7	0	0	0	113.7	V392 A396 W399 I503 Q505 F524 H535 V537 W614	V392-W556 HydrophobicContact CG1-CB 4.04Å; A396-W556 WeakPolarHBondContact CA-O 3.47Å; A396-W556 WeakPolarHBondContact CB-O 3.37Å; W399-W556 HydrophobicContact CB-CH2 4.19Å; W399-W556 HydrophobicContact CB-CZ3 3.91Å; W399-W556 HydrophobicContact CE3-CH2 4.27Å; I503-W556 HydrophobicContact CG2-CH2 4.23Å; Q505-W556 HydrophobicContact CB-CD2 4.47Å; Q505-W556 HydrophobicContact CB-CZ2 4.02Å; Q505-W556 HydrophobicContact CG-CH2 4.16Å; Q505-W556 HydrophobicContact CG-CZ2 3.86Å; F524-W556 HydrophobicContact CD1-CB 4.32Å; F524-W556 AromaticContact CD1-CD1 3.71Å; F524-W556 HydrophobicContact CD1-CG 4.17Å; F524-W556 HydrophobicContact CE1-CB 3.85Å; F524-W556 HydrophobicContact CE1-CG 4.12Å; H535-W556 AromaticContact CD2-CE2 3.9Å; H535-W556 AromaticContact CD2-CZ2 3.63Å; H535-W556 AromaticContact CD2-NE1 3.98Å; H535-W556 PolarHBondContact O-N 3.42Å; H535-W556 VanDerWaalsContact O-N 3.12Å; V537-W556 HydrophobicContact CG2-CB 3.94Å; W556-W614 WeakPolarHBondContact O-CH2 3.19Å
557	T	94.8	Very high	97.2	Very high	14 Å²	14	29.9 Å²	29.9	9%	0.086	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-6	173.9	56.1	0	0	0	0	114.8	W399 H535 K555	W399-T557 HydrophobicContact CB-CG2 3.85Å; W399-T557 HydrophobicContact CD2-CG2 4.01Å; W399-T557 HydrophobicContact CE3-CG2 4.25Å; W399-T557 HydrophobicContact CG-CG2 3.81Å; H535-T557 HydrophobicContact CB-CG2 4.01Å; H535-T557 WeakPolarHBondContact ND1-CG2 3.45Å; H535-T557 PolarHBondContact ND1-OG1 3.37Å; K555-T557 PolarHBondContact O-N 3.14Å; K555-T557 VanDerWaalsContact O-N 3.12Å
558	E	95.1	Very high	97.2	Very high	35 Å²	35	23.9 Å²	23.9	16%	0.164	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-136.7	-65.6	-169	-69.8	167.1	-120.2	0	0	112.4	K555 T603 V604 R615 I616	K555-E558 HydrophobicContact CB-CB 4.27Å; K555-E558 WeakPolarHBondContact CD-OE1 3.38Å; K555-E558 IonicContact NZ-OE1 2.64Å; K555-E558 PolarHBondContact NZ-OE1 3.06Å; K555-E558 PolarHBondContact O-N 3.47Å; E558-T603 PolarHBondContact OE1-OG1 3.35Å; E558-T603 PolarHBondContact OE2-N 3.21Å; E558-T603 PolarHBondContact OE2-OG1 3.07Å; E558-V604 HydrophobicContact CB-CG2 4.45Å; E558-R615 WeakPolarHBondContact O-CA 3.25Å; E558-I616 PolarHBondContact O-N 2.88Å
559	S	96.9	Very high	97	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.5	160.9	-174.4	49.1	0	0	0	0	112.9	G554 K555 Y561 W614	G554-S559 CarbonylContact C-O 3.45Å; G554-S559 WeakPolarHBondContact CA-O 3.46Å; K555-S559 PolarHBondContact N-O 3.41Å; K555-S559 PolarHBondContact O-N 3.01Å; K555-S559 VanDerWaalsContact O-O 3.08Å; S559-Y561 VanDerWaalsContact OG-CE2 3.31Å; S559-Y561 WeakPolarHBondContact OG-CE2 3.44Å; S559-W614 CarbonylContact C-O 3.51Å; S559-W614 VanDerWaalsContact CA-O 3.25Å; S559-W614 WeakPolarHBondContact CA-O 3.45Å; S559-W614 VanDerWaalsContact CB-O 3.28Å; S559-W614 WeakPolarHBondContact CB-O 3.39Å
560	L	98.5	Very high	96.9	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	129.5	175.1	-170.1	75.3	0	0	0	110.4	A389 V392 V537 L552 L613 W614	A389-L560 HydrophobicContact CB-CD2 4.18Å; V392-L560 HydrophobicContact CB-CD2 4.32Å; V392-L560 HydrophobicContact CG2-CD2 4.02Å; V537-L560 HydrophobicContact CB-CD1 4.46Å; V537-L560 HydrophobicContact CG1-CD1 4.41Å; L552-L560 HydrophobicContact CD2-CD2 4.17Å; L560-L613 PolarHBondContact O-N 2.84Å; L560-W614 HydrophobicContact CB-CE3 3.99Å; L560-W614 PolarHBondContact N-O 2.89Å; L560-W614 PolarHBondContact O-N 2.93Å
561	Y	98.5	Very high	96.6	Very high	13 Å²	13	24.2 Å²	24.2	5%	0.051	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	160.3	177.7	-62.7	-90.3	0	0	0	111.1	L552 Y553 S559 V604 V606 Q611 L612 R615	L552-Y561 WeakPolarHBondContact CA-O 3.35Å; Y553-Y561 HydrophobicContact CE2-CD2 4.29Å; Y553-Y561 PolarHBondContact N-O 2.96Å; Y553-Y561 PolarHBondContact O-N 3.37Å; S559-Y561 VanDerWaalsContact OG-CE2 3.31Å; S559-Y561 WeakPolarHBondContact OG-CE2 3.44Å; Y561-V604 HydrophobicContact CD2-CG1 4.06Å; Y561-V604 HydrophobicContact CE2-CB 4.41Å; Y561-V604 HydrophobicContact CE2-CG1 3.91Å; Y561-V606 HydrophobicContact CD1-CG1 4.28Å; Y561-V606 HydrophobicContact CE1-CG1 4.12Å; Y561-V606 HydrophobicContact CE1-CG2 4.03Å; Y561-V606 HydrophobicContact CE2-CG2 4.04Å; Y561-Q611 CarbonylContact C-O 3.5Å; Y561-Q611 VanDerWaalsContact CA-O 3.31Å; Y561-Q611 WeakPolarHBondContact CA-O 3.24Å; Y561-L612 HydrophobicContact CD1-CB 4.06Å; Y561-L612 HydrophobicContact CD1-CD1 3.96Å; Y561-L612 HydrophobicContact CE1-CB 3.9Å; Y561-L612 HydrophobicContact CE1-CD1 3.51Å; Y561-L612 HydrophobicContact CE1-CG 4.29Å; Y561-L612 HydrophobicContact CE2-CD1 4.29Å; Y561-R615 PolarHBondContact OH-NH2 3.02Å
562	V	98.4	Very high	96.2	Very high	4 Å²	4	26.6 Å²	26.6	2%	0.024	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	142.7	170.5	67.8	0	0	0	0	110.7	K385 C550 A551 L552 S610 Q611 L613	K385-V562 HydrophobicContact CD-CG1 4.04Å; K385-V562 HydrophobicContact CD-CG2 4.45Å; K385-V562 HydrophobicContact CG-CG2 4.37Å; C550-V562 HydrophobicContact CB-CG2 3.49Å; C550-V562 VanDerWaalsContact CB-CG2 3.49Å; A551-V562 CarbonylContact O-C 3.5Å; A551-V562 VanDerWaalsContact O-CA 3.31Å; A551-V562 WeakPolarHBondContact O-CA 3.26Å; A551-V562 WeakPolarHBondContact O-CG2 3.31Å; L552-V562 HydrophobicContact CD1-CG2 4.07Å; L552-V562 HydrophobicContact CG-CB 4.22Å; L552-V562 HydrophobicContact CG-CG2 3.99Å; V562-S610 CarbonylContact O-C 3.56Å; V562-S610 WeakPolarHBondContact O-CA 3.49Å; V562-Q611 HydrophobicContact CG1-CB 3.78Å; V562-Q611 HydrophobicContact CG1-CG 4.1Å; V562-Q611 PolarHBondContact N-O 3.27Å; V562-Q611 PolarHBondContact O-N 3.13Å; V562-L613 HydrophobicContact CB-CD1 3.8Å; V562-L613 HydrophobicContact CB-CG 4.09Å; V562-L613 HydrophobicContact CG1-CD1 3.93Å; V562-L613 HydrophobicContact CG1-CD2 3.72Å; V562-L613 HydrophobicContact CG1-CG 3.76Å
563	V	98.3	Very high	95.7	Very high	10 Å²	10	33 Å²	33	6%	0.061	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	166.9	-176.8	72.3	0	0	0	0	110.9	A551 Y553 A567 F568 I607	A551-V563 HydrophobicContact CB-CG1 4.18Å; A551-V563 PolarHBondContact N-O 3.28Å; A551-V563 PolarHBondContact O-N 3.08Å; Y553-V563 HydrophobicContact CD1-CG1 4.08Å; Y553-V563 HydrophobicContact CE1-CB 4.19Å; Y553-V563 HydrophobicContact CE1-CG1 3.83Å; V563-A567 HydrophobicContact CG2-CB 4.12Å; V563-F568 HydrophobicContact CG1-CB 3.89Å; V563-F568 HydrophobicContact CG1-CD2 4.32Å; V563-I607 HydrophobicContact CG2-CG2 4.3Å
564	D	97.4	Very high	95	Very high	95 Å²	95	35.7 Å²	35.7	51%	0.508	21%	0.205	S	C	.	.			trans	-59.1	136.7	172.9	173.3	-92.7	0	0	0	111.9	A566 A567 F568	D564-A566 VanDerWaalsContact C-N 3.31Å; D564-A566 PolarHBondContact O-N 3.09Å; D564-A566 WeakPolarHBondContact OD1-CA 3.38Å; D564-A566 VanDerWaalsContact OD1-CB 3.25Å; D564-A566 WeakPolarHBondContact OD1-CB 3.44Å; D564-A566 PolarHBondContact OD1-N 3.43Å; D564-A567 HydrophobicContact CB-CB 4.21Å; D564-A567 PolarHBondContact O-N 2.85Å; D564-A567 PolarHBondContact OD1-N 3.45Å; D564-A567 VanDerWaalsContact OD1-N 3.08Å; D564-F568 PolarHBondContact O-N 2.94Å
565	P	97.1	Very high	94.2	Very high	18 Å²	18	39.1 Å²	39.1	12%	0.117	22%	0.222	C	C	.	.	H	α-helix	trans	-60.6	-30.8	-178.7	-25.3	35	0	0	0	115.5	K548 E569	K548-P565 HydrophobicContact CB-CB 4.02Å; K548-P565 HydrophobicContact CB-CG 3.95Å; K548-P565 HydrophobicContact CD-CB 4.34Å; P565-E569 WeakPolarHBondContact O-CB 3.47Å; P565-E569 WeakPolarHBondContact O-CG 3.35Å; P565-E569 PolarHBondContact O-N 3.21Å; P565-E569 VanDerWaalsContact O-N 3.07Å
566	A	96.3	Very high	93.2	Very high	69 Å²	69	43.6 Å²	43.6	57%	0.57	24%	0.242	S	C	*	.	H	α-helix	trans	-77.3	-35.9	178.3	0	0	0	0	0	111.6	D564 E569 A570	D564-A566 VanDerWaalsContact C-N 3.31Å; D564-A566 PolarHBondContact O-N 3.09Å; D564-A566 WeakPolarHBondContact OD1-CA 3.38Å; D564-A566 VanDerWaalsContact OD1-CB 3.25Å; D564-A566 WeakPolarHBondContact OD1-CB 3.44Å; D564-A566 PolarHBondContact OD1-N 3.43Å; A566-E569 PolarHBondContact O-N 3.14Å; A566-A570 WeakPolarHBondContact O-CB 3.37Å; A566-A570 PolarHBondContact O-N 3.02Å
567	A	96.1	Very high	92	Very high	34 Å²	34	49.3 Å²	49.3	28%	0.281	27%	0.267	S	S	.	.	H	α-helix	trans	-61.9	-45.1	171	0	0	0	0	0	111.7	V563 D564 A570 H571	V563-A567 HydrophobicContact CG2-CB 4.12Å; D564-A567 HydrophobicContact CB-CB 4.21Å; D564-A567 PolarHBondContact O-N 2.85Å; D564-A567 PolarHBondContact OD1-N 3.45Å; D564-A567 VanDerWaalsContact OD1-N 3.08Å; A567-A570 WeakPolarHBondContact O-CB 3.47Å; A567-A570 PolarHBondContact O-N 3.46Å; A567-H571 PolarHBondContact O-N 3.04Å
568	F	96.3	Very high	90.5	Very high	7 Å²	7	49.9 Å²	49.9	3%	0.031	28%	0.276	C	S	.	.	H	α-helix	trans	-61.3	-47	175.4	-173.5	-105.7	0	0	0	112.6	E538 Y540 A551 Y553 V563 D564 A570 H571 K572 I607	E538-F568 HydrophobicContact CG-CZ 4.37Å; Y540-F568 HydrophobicContact CE1-CD1 4.13Å; Y540-F568 AromaticContact CZ-CD1 3.94Å; Y540-F568 WeakPolarHBondContact OH-CD1 3.44Å; Y540-F568 WeakPolarHBondContact OH-CE1 3.5Å; A551-F568 HydrophobicContact CB-CB 3.53Å; A551-F568 HydrophobicContact CB-CD1 3.89Å; A551-F568 HydrophobicContact CB-CD2 4.25Å; A551-F568 HydrophobicContact CB-CG 3.63Å; Y553-F568 HydrophobicContact CD1-CD2 4.13Å; Y553-F568 HydrophobicContact CD1-CE2 4.18Å; Y553-F568 HydrophobicContact CG-CD2 4.34Å; Y553-F568 AromaticContact CG-CE2 3.94Å; Y553-F568 HydrophobicContact CG-CE2 3.94Å; V563-F568 HydrophobicContact CG1-CB 3.89Å; V563-F568 HydrophobicContact CG1-CD2 4.32Å; D564-F568 PolarHBondContact O-N 2.94Å; F568-A570 PolarHBondContact O-N 2.95Å; F568-H571 PolarHBondContact O-N 2.88Å; F568-K572 HydrophobicContact CE1-CD 4.33Å; F568-K572 WeakPolarHBondContact O-CB 3.45Å; F568-K572 PolarHBondContact O-N 3.5Å; F568-I607 HydrophobicContact CD2-CD1 3.62Å; F568-I607 HydrophobicContact CE2-CD1 4.2Å
569	E	94.5	Very high	88.8	Confident	60 Å²	60	50.5 Å²	50.5	28%	0.28	29%	0.287	S	S	.	.	H	α-helix	trans	-72.1	-11.7	178.2	-67.8	-83.8	-154.5	0	0	113.5	Y540 K548 P565 A566 K573	Y540-E569 PolarHBondContact OH-OE1 2.86Å; K548-E569 IonicContact NZ-OE1 2.9Å; K548-E569 PolarHBondContact NZ-OE1 3.23Å; P565-E569 WeakPolarHBondContact O-CB 3.47Å; P565-E569 WeakPolarHBondContact O-CG 3.35Å; P565-E569 PolarHBondContact O-N 3.21Å; P565-E569 VanDerWaalsContact O-N 3.07Å; A566-E569 PolarHBondContact O-N 3.14Å; E569-K573 WeakPolarHBondContact O-CD 3.41Å; E569-K573 WeakPolarHBondContact O-CE 3.43Å; E569-K573 VanDerWaalsContact O-CG 3.27Å; E569-K573 WeakPolarHBondContact O-CG 3.48Å; E569-K573 PolarHBondContact O-NZ 2.63Å
570	A	93.8	Very high	87	Confident	56 Å²	56	57.1 Å²	57.1	46%	0.463	32%	0.318	S	S	.	.	H	α-helix	trans	-82.7	-50.3	168.7	0	0	0	0	0	110.7	A566 A567 F568 K572 K573 S574	A566-A570 WeakPolarHBondContact O-CB 3.37Å; A566-A570 PolarHBondContact O-N 3.02Å; A567-A570 WeakPolarHBondContact O-CB 3.47Å; A567-A570 PolarHBondContact O-N 3.46Å; F568-A570 PolarHBondContact O-N 2.95Å; A570-K572 PolarHBondContact O-N 3.45Å; A570-K573 WeakPolarHBondContact O-CB 3.4Å; A570-K573 PolarHBondContact O-N 3.35Å; A570-S574 PolarHBondContact O-N 3.21Å; A570-S574 VanDerWaalsContact O-N 3.17Å; A570-S574 PolarHBondContact O-OG 3.06Å
571	H	92.2	Very high	84.9	Confident	34 Å²	34	62.2 Å²	62.2	16%	0.157	34%	0.342	C	S	.	.	H	α-helix	trans	-56.4	-47.6	176.5	-179.4	-83.7	0	0	0	112	A567 F568 K573 S574 D575 E605 I607	A567-H571 PolarHBondContact O-N 3.04Å; F568-H571 PolarHBondContact O-N 2.88Å; H571-K573 PolarHBondContact O-N 3.02Å; H571-S574 WeakPolarHBondContact CA-OG 3.41Å; H571-S574 PolarHBondContact O-N 3.38Å; H571-S574 PolarHBondContact O-OG 3.23Å; H571-D575 IonicContact CE1-OD1 3.87Å; H571-D575 PolarHBondContact CE1-OD1 3.3Å; H571-D575 VanDerWaalsContact CE1-OD1 3.29Å; H571-D575 IonicContact CE1-OD2 3.48Å; H571-D575 PolarHBondContact CE1-OD2 2.58Å; H571-D575 IonicContact ND1-OD1 3.6Å; H571-D575 IonicContact ND1-OD2 3.54Å; H571-D575 IonicContact NE2-OD1 2.59Å; H571-D575 PolarHBondContact O-N 3.35Å; H571-E605 IonicContact CD2-OE1 3.68Å; H571-E605 IonicContact CE1-OE1 3.41Å; H571-E605 IonicContact NE2-OE1 3.84Å; H571-E605 PolarHBondContact NE2-OE1 2.84Å; H571-I607 HydrophobicContact CB-CD1 3.91Å; H571-I607 HydrophobicContact CB-CG1 4.17Å; H571-I607 HydrophobicContact CB-CG2 4.32Å
572	K	89.1	Confident	82.9	Confident	51 Å²	51	69.6 Å²	69.6	22%	0.222	37%	0.374	C	S	.	.	H	α-helix	trans	-60.8	-16.4	176.8	-154.5	-173	-161.9	79.4	0	114.4	E538 F568 A570 K576	E538-K572 IonicContact OE1-NZ 3.54Å; E538-K572 PolarHBondContact OE1-NZ 3Å; E538-K572 IonicContact OE2-NZ 3.92Å; E538-K572 PolarHBondContact OE2-NZ 2.85Å; F568-K572 HydrophobicContact CE1-CD 4.33Å; F568-K572 WeakPolarHBondContact O-CB 3.45Å; F568-K572 PolarHBondContact O-N 3.5Å; A570-K572 PolarHBondContact O-N 3.45Å; K572-K576 WeakPolarHBondContact O-CG 3.47Å
573	K	89.1	Confident	80.7	Confident	135 Å²	135	78.1 Å²	78.1	59%	0.587	41%	0.411	S	S	*	.	H	α-helix	trans	-91.1	-38.1	173.9	-70.6	168.2	-168	148.1	0	112.1	E569 A570 H571 D575 K576 K577	E569-K573 WeakPolarHBondContact O-CD 3.41Å; E569-K573 WeakPolarHBondContact O-CE 3.43Å; E569-K573 VanDerWaalsContact O-CG 3.27Å; E569-K573 WeakPolarHBondContact O-CG 3.48Å; E569-K573 PolarHBondContact O-NZ 2.63Å; A570-K573 WeakPolarHBondContact O-CB 3.4Å; A570-K573 PolarHBondContact O-N 3.35Å; H571-K573 PolarHBondContact O-N 3.02Å; K573-D575 VanDerWaalsContact C-N 3.32Å; K573-K576 PolarHBondContact O-N 3.3Å; K573-K577 WeakPolarHBondContact O-CB 3.38Å; K573-K577 PolarHBondContact O-N 2.92Å; K573-K577 VanDerWaalsContact O-N 3.07Å
574	S	83.9	Confident	78.3	Confident	70 Å²	70	81.7 Å²	81.7	49%	0.49	44%	0.441	S	S	.	.	H	α-helix	trans	-61.3	-41.8	171.7	35.5	0	0	0	0	111.5	A570 H571 K576 K577 G578	A570-S574 PolarHBondContact O-N 3.21Å; A570-S574 VanDerWaalsContact O-N 3.17Å; A570-S574 PolarHBondContact O-OG 3.06Å; H571-S574 WeakPolarHBondContact CA-OG 3.41Å; H571-S574 PolarHBondContact O-N 3.38Å; H571-S574 PolarHBondContact O-OG 3.23Å; S574-K576 PolarHBondContact O-N 3.08Å; S574-K577 PolarHBondContact O-N 2.93Å; S574-G578 PolarHBondContact O-N 3.41Å
575	D	79.3	Confident	75.7	Confident	77 Å²	77	80 Å²	80	41%	0.412	45%	0.445	S	S	.	.	H	α-helix	trans	-58.9	-47.1	177.6	-81.2	18	0	0	0	112.7	H571 K573 G578 A579	H571-D575 IonicContact CE1-OD1 3.87Å; H571-D575 PolarHBondContact CE1-OD1 3.3Å; H571-D575 VanDerWaalsContact CE1-OD1 3.29Å; H571-D575 IonicContact CE1-OD2 3.48Å; H571-D575 PolarHBondContact CE1-OD2 2.58Å; H571-D575 IonicContact ND1-OD1 3.6Å; H571-D575 IonicContact ND1-OD2 3.54Å; H571-D575 IonicContact NE2-OD1 2.59Å; H571-D575 PolarHBondContact O-N 3.35Å; K573-D575 VanDerWaalsContact C-N 3.32Å; D575-G578 PolarHBondContact O-N 3.05Å; D575-A579 VanDerWaalsContact O-CB 3.28Å; D575-A579 WeakPolarHBondContact O-CB 3.38Å; D575-A579 PolarHBondContact O-N 3.27Å
576	K	75.9	Confident	73.2	Confident	134 Å²	134	85.4 Å²	85.4	58%	0.583	47%	0.467	S	S	*	.	H	α-helix	trans	-62.6	-47.3	177.5	-74.1	-179.5	176.8	-174.8	0	111.5	K572 K573 S574 G578 A579 E580	K572-K576 WeakPolarHBondContact O-CG 3.47Å; K573-K576 PolarHBondContact O-N 3.3Å; S574-K576 PolarHBondContact O-N 3.08Å; K576-G578 PolarHBondContact O-N 2.73Å; K576-A579 PolarHBondContact O-N 3.33Å; K576-E580 WeakPolarHBondContact O-CG 3.44Å; K576-E580 PolarHBondContact O-N 1.99Å
577	K	70.1	Confident	70.6	Confident	120 Å²	120	86.8 Å²	86.8	52%	0.522	48%	0.479	S	S	.	.	H	α-helix	trans	-62.5	-44.3	178.6	-171.5	172.2	-178.1	-75.1	0	111.6	K573 S574 A579 E580 E581	K573-K577 WeakPolarHBondContact O-CB 3.38Å; K573-K577 PolarHBondContact O-N 2.92Å; K573-K577 VanDerWaalsContact O-N 3.07Å; S574-K577 PolarHBondContact O-N 2.93Å; K577-A579 VanDerWaalsContact C-N 3.33Å; K577-A579 PolarHBondContact O-N 3.1Å; K577-E580 PolarHBondContact O-N 2.94Å; K577-E581 WeakPolarHBondContact CE-OE1 3.44Å; K577-E581 IonicContact NZ-OE1 3.14Å; K577-E581 PolarHBondContact NZ-OE1 2.82Å; K577-E581 IonicContact NZ-OE2 3.51Å; K577-E581 WeakPolarHBondContact O-CB 3.38Å; K577-E581 WeakPolarHBondContact O-CG 3.22Å; K577-E581 PolarHBondContact O-N 3.43Å
578	G	62.9	Low	68	Low	26 Å²	26	88.9 Å²	88.9	27%	0.268	50%	0.504	S	S	.	.	H	α-helix	trans	-65.3	-32.4	175.7	0	0	0	0	0	113.4	S574 D575 K576 K582	S574-G578 PolarHBondContact O-N 3.41Å; D575-G578 PolarHBondContact O-N 3.05Å; K576-G578 PolarHBondContact O-N 2.73Å; G578-K582 VanDerWaalsContact O-CB 3.26Å; G578-K582 WeakPolarHBondContact O-CB 3.45Å; G578-K582 VanDerWaalsContact O-CG 3.24Å; G578-K582 WeakPolarHBondContact O-CG 3.05Å; G578-K582 PolarHBondContact O-N 3.13Å
579	A	61.2	Low	64.8	Low	48 Å²	48	93.3 Å²	93.3	40%	0.397	54%	0.535	S	S	.	.	H	α-helix	trans	-72.1	-34.8	173.6	0	0	0	0	0	112.9	D575 K576 K577 K583	D575-A579 VanDerWaalsContact O-CB 3.28Å; D575-A579 WeakPolarHBondContact O-CB 3.38Å; D575-A579 PolarHBondContact O-N 3.27Å; K576-A579 PolarHBondContact O-N 3.33Å; K577-A579 VanDerWaalsContact C-N 3.33Å; K577-A579 PolarHBondContact O-N 3.1Å; A579-K583 WeakPolarHBondContact O-CB 3.24Å; A579-K583 PolarHBondContact O-N 3.38Å; A579-K583 VanDerWaalsContact O-N 3.11Å
580	E	58.9	Low	62.1	Low	139 Å²	139	96.1 Å²	96.1	65%	0.65	56%	0.562	S	S	*	*	H	α-helix	trans	-72.1	-43.6	173.8	-72.5	175.6	169.7	0	0	111.5	K576 K577 K583 A584	K576-E580 WeakPolarHBondContact O-CG 3.44Å; K576-E580 PolarHBondContact O-N 1.99Å; K577-E580 PolarHBondContact O-N 2.94Å; E580-K583 WeakPolarHBondContact O-CB 3.35Å; E580-K583 PolarHBondContact O-N 3.36Å; E580-K583 VanDerWaalsContact O-N 3.12Å; E580-A584 PolarHBondContact O-N 2.92Å
581	E	54	Low	59.1	Low	107 Å²	107	96.8 Å²	96.8	50%	0.5	57%	0.574	S	S	.	*	H	α-helix	trans	-64.3	-40.9	175	-73.1	173.5	170.6	0	0	111.9	K577 K583 A584 G585	K577-E581 WeakPolarHBondContact CE-OE1 3.44Å; K577-E581 IonicContact NZ-OE1 3.14Å; K577-E581 PolarHBondContact NZ-OE1 2.82Å; K577-E581 IonicContact NZ-OE2 3.51Å; K577-E581 WeakPolarHBondContact O-CB 3.38Å; K577-E581 WeakPolarHBondContact O-CG 3.22Å; K577-E581 PolarHBondContact O-N 3.43Å; E581-K583 VanDerWaalsContact C-N 3.3Å; E581-K583 PolarHBondContact O-N 3.22Å; E581-A584 PolarHBondContact O-N 2.84Å; E581-G585 PolarHBondContact O-N 2.67Å
582	K	55.4	Low	56.2	Low	168 Å²	168	101.6 Å²	101.6	73%	0.73	60%	0.601	S	S	*	*	H	α-helix	trans	-64.8	-30.9	171.7	-76.4	175.4	178.6	177.8	0	112.8	G578 G585 K586	G578-K582 VanDerWaalsContact O-CB 3.26Å; G578-K582 WeakPolarHBondContact O-CB 3.45Å; G578-K582 VanDerWaalsContact O-CG 3.24Å; G578-K582 WeakPolarHBondContact O-CG 3.05Å; G578-K582 PolarHBondContact O-N 3.13Å; K582-G585 PolarHBondContact O-N 3.32Å; K582-K586 PolarHBondContact O-N 3.39Å; K582-K586 VanDerWaalsContact O-N 3.17Å
583	K	53.1	Low	53.4	Low	183 Å²	183	108.5 Å²	108.5	80%	0.796	63%	0.634	S	S	*	*	H	α-helix	trans	-71.2	-32.5	171.7	-88.9	-176.2	172.6	-178.3	0	113.1	A579 E580 E581	A579-K583 WeakPolarHBondContact O-CB 3.24Å; A579-K583 PolarHBondContact O-N 3.38Å; A579-K583 VanDerWaalsContact O-N 3.11Å; E580-K583 WeakPolarHBondContact O-CB 3.35Å; E580-K583 PolarHBondContact O-N 3.36Å; E580-K583 VanDerWaalsContact O-N 3.12Å; E581-K583 VanDerWaalsContact C-N 3.3Å; E581-K583 PolarHBondContact O-N 3.22Å
584	A	48.1	Very low	50.9	Low	85 Å²	85	112.1 Å²	112.1	70%	0.702	65%	0.653	S	S	*	*	H	α-helix	trans	-73.7	-31.7	172	0	0	0	0	0	112.4	E580 E581	E580-A584 PolarHBondContact O-N 2.92Å; E581-A584 PolarHBondContact O-N 2.84Å
585	G	42.1	Very low	48.3	Very low	58 Å²	58	111.7 Å²	111.7	60%	0.598	66%	0.66	S	S	*	*	H	α-helix	trans	-83.1	-29.4	-175.9	0	0	0	0	0	116.7	E581 K582 A587	E581-G585 PolarHBondContact O-N 2.67Å; K582-G585 PolarHBondContact O-N 3.32Å; G585-A587 PolarHBondContact O-N 2.83Å
586	K	46.1	Very low	46.3	Very low	132 Å²	132	114.5 Å²	114.5	57%	0.574	68%	0.679	S	S	*	*			trans	-79.7	52.2	-175.8	-138.3	-177.3	-176.1	-173	0	112.9	K582 D592	K582-K586 PolarHBondContact O-N 3.39Å; K582-K586 VanDerWaalsContact O-N 3.17Å; K586-D592 IonicContact NZ-OD1 2.68Å; K586-D592 IonicContact NZ-OD2 3.77Å; K586-D592 PolarHBondContact NZ-OD2 2.96Å
587	A	39.8	Very low	44.3	Very low	98 Å²	98	114.1 Å²	114.1	81%	0.81	69%	0.691	S	S	*	*	S	Bend	trans	-100.2	63.1	168.5	0	0	0	0	0	110.5	G585	G585-A587 PolarHBondContact O-N 2.83Å
588	G	41.9	Very low	42.4	Very low	78 Å²	78	113.5 Å²	113.5	80%	0.804	70%	0.701	S	S	*	*	S	Bend	trans	123.6	75.7	178.1	0	0	0	0	0	114.8
589	S	29.1	Very low	41.1	Very low	100 Å²	100	118.4 Å²	118.4	70%	0.699	73%	0.728	S	S	*	*			trans	-165.5	139	139.9	-167.2	0	0	0	0	109.4
590	S	37.8	Very low	39.9	Very low	119 Å²	119	119.5 Å²	119.5	83%	0.832	74%	0.738	S	S	*	*			trans	-113.5	144.4	-172.9	52.1	0	0	0	0	111.6
591	G	30.7	Very low	39.5	Very low	71 Å²	71	118.7 Å²	118.7	73%	0.732	74%	0.744	S	S	*	*			trans	125.3	84.9	175	0	0	0	0	0	112
592	D	32.2	Very low	39.7	Very low	135 Å²	135	117.1 Å²	117.1	72%	0.722	74%	0.739	S	S	*	*			trans	-112.8	121.3	161.7	-67.5	-61.1	0	0	0	105.2	K586	K586-D592 IonicContact NZ-OD1 2.68Å; K586-D592 IonicContact NZ-OD2 3.77Å; K586-D592 PolarHBondContact NZ-OD2 2.96Å
593	Q	30.8	Very low	40.9	Very low	196 Å²	196	112.9 Å²	112.9	92%	0.916	73%	0.728	S	S	*	*			trans	-88.9	125.6	179.6	-73.1	177.5	-28.3	0	0	109.7	G595	Q593-G595 VanDerWaalsContact C-N 3.3Å; Q593-G595 PolarHBondContact O-N 3.27Å
594	E	34.8	Very low	42.5	Very low	211 Å²	211	105 Å²	105	99%	0.986	70%	0.695	S	S	*	*			trans	-79.8	79.7	169.7	-67.6	-163.3	142.5	0	0	110.4
595	G	30.3	Very low	44.5	Very low	60 Å²	60	107.2 Å²	107.2	62%	0.619	69%	0.691	S	S	*	*			trans	-93.6	139.8	168.1	0	0	0	0	0	111.6	Q593	Q593-G595 VanDerWaalsContact C-N 3.3Å; Q593-G595 PolarHBondContact O-N 3.27Å
596	V	36.7	Very low	46.9	Very low	137 Å²	137	107.8 Å²	107.8	83%	0.83	68%	0.682	S	S	*	*			trans	-56	134.2	172.5	178.8	0	0	0	0	109.7	S598	V596-S598 PolarHBondContact O-N 3.36Å
597	P	35.2	Very low	49.3	Very low	126 Å²	126	101.9 Å²	101.9	82%	0.818	66%	0.657	S	S	*	*			trans	-61.5	107.9	-177.2	-25.7	35.5	0	0	0	113.3
598	S	29.2	Very low	51.9	Low	106 Å²	106	102.8 Å²	102.8	74%	0.741	65%	0.654	S	S	*	*			trans	-72.2	141.6	169	-177.6	0	0	0	0	110.6	V596 A600	V596-S598 PolarHBondContact O-N 3.36Å; S598-A600 PolarHBondContact O-N 3.1Å
599	P	36.3	Very low	54.4	Low	129 Å²	129	102.8 Å²	102.8	84%	0.838	66%	0.655	S	S	*	*			trans	-71.7	95.7	-175.1	28.4	-35.6	0	0	0	112.6
600	A	36.3	Very low	57.6	Low	72 Å²	72	99.4 Å²	99.4	60%	0.595	63%	0.631	S	S	*	*			trans	-85.9	146.6	163.9	0	0	0	0	0	110.9	S598	S598-A600 PolarHBondContact O-N 3.1Å
601	P	50.2	Low	60.5	Low	121 Å²	121	97.7 Å²	97.7	79%	0.786	61%	0.61	S	S	*	*	S	Bend	trans	-72.3	140.4	179.1	30	-34.8	0	0	0	112.2
602	D	57.9	Low	63.7	Low	74 Å²	74	98.2 Å²	98.2	40%	0.396	60%	0.595	S	S	.	*			trans	42.3	91.5	175.1	-67.2	-10.9	0	0	0	115.7	V604 R615	D602-V604 VanDerWaalsContact C-N 3.26Å; D602-V604 PolarHBondContact O-N 3.13Å; D602-R615 IonicContact OD1-CZ 3.49Å; D602-R615 IonicContact OD1-NH1 3.39Å; D602-R615 PolarHBondContact OD1-NH1 2.81Å; D602-R615 IonicContact OD1-NH2 2.72Å; D602-R615 IonicContact OD2-CZ 3.63Å; D602-R615 IonicContact OD2-NH1 2.75Å; D602-R615 PolarHBondContact OD2-NH1 2.88Å; D602-R615 IonicContact OD2-NH2 3.62Å; D602-R615 PolarHBondContact OD2-NH2 3.44Å
603	T	80.6	Confident	66.8	Low	79 Å²	79	92.6 Å²	92.6	49%	0.485	57%	0.565	S	S	.	*			trans	-85.9	3.8	176.8	73.8	0	0	0	0	113.6	K555 E558	K555-T603 PolarHBondContact NZ-OG1 3.47Å; E558-T603 PolarHBondContact OE1-OG1 3.35Å; E558-T603 PolarHBondContact OE2-N 3.21Å; E558-T603 PolarHBondContact OE2-OG1 3.07Å
604	V	86.3	Confident	70.1	Confident	18 Å²	18	83.4 Å²	83.4	11%	0.109	52%	0.522	C	S	.	.	S	Bend	trans	-87.6	114.8	175.6	179.2	0	0	0	0	109.5	Y553 K555 E558 Y561 D602 V606	Y553-V604 HydrophobicContact CD2-CG1 4.36Å; Y553-V604 HydrophobicContact CE2-CG1 4.1Å; K555-V604 HydrophobicContact CB-CG2 4.12Å; K555-V604 HydrophobicContact CD-CG2 4.02Å; K555-V604 HydrophobicContact CG-CG2 4.02Å; E558-V604 HydrophobicContact CB-CG2 4.45Å; Y561-V604 HydrophobicContact CD2-CG1 4.06Å; Y561-V604 HydrophobicContact CE2-CB 4.41Å; Y561-V604 HydrophobicContact CE2-CG1 3.91Å; D602-V604 VanDerWaalsContact C-N 3.26Å; D602-V604 PolarHBondContact O-N 3.13Å; V604-V606 PolarHBondContact O-N 2.86Å
605	E	89.3	Confident	73	Confident	131 Å²	131	78 Å²	78	61%	0.612	49%	0.493	S	S	*	.			trans	-66.7	114.3	172.6	-170.4	-178.8	136.4	0	0	110.3	Y553 H571 I607	Y553-E605 WeakPolarHBondContact CE2-O 3.47Å; H571-E605 IonicContact CD2-OE1 3.68Å; H571-E605 IonicContact CE1-OE1 3.41Å; H571-E605 IonicContact NE2-OE1 3.84Å; H571-E605 PolarHBondContact NE2-OE1 2.84Å; E605-I607 PolarHBondContact O-N 3.49Å
606	V	94.3	Very high	76.1	Confident	70 Å²	70	76.8 Å²	76.8	42%	0.424	47%	0.472	S	S	.	.			trans	-84.6	111.1	-176.5	-175	0	0	0	0	110.6	Y561 V604	Y561-V606 HydrophobicContact CD1-CG1 4.28Å; Y561-V606 HydrophobicContact CE1-CG1 4.12Å; Y561-V606 HydrophobicContact CE1-CG2 4.03Å; Y561-V606 HydrophobicContact CE2-CG2 4.04Å; V604-V606 PolarHBondContact O-N 2.86Å
607	I	95.3	Very high	78.6	Confident	9 Å²	9	72.6 Å²	72.6	5%	0.046	45%	0.452	C	S	.	.			trans	-64.2	130.2	177.6	-57.4	173.3	0	0	0	109.5	Y553 V563 F568 H571 E605 G609 S610	Y553-I607 HydrophobicContact CD1-CD1 4.26Å; Y553-I607 HydrophobicContact CD2-CD1 4.49Å; Y553-I607 HydrophobicContact CE1-CB 4.39Å; Y553-I607 HydrophobicContact CE1-CD1 3.96Å; Y553-I607 HydrophobicContact CE1-CG1 4.3Å; Y553-I607 HydrophobicContact CE2-CD1 4.2Å; Y553-I607 HydrophobicContact CE2-CG1 4.15Å; Y553-I607 PolarHBondContact OH-N 2.68Å; V563-I607 HydrophobicContact CG2-CG2 4.3Å; F568-I607 HydrophobicContact CD2-CD1 3.62Å; F568-I607 HydrophobicContact CE2-CD1 4.2Å; H571-I607 HydrophobicContact CB-CD1 3.91Å; H571-I607 HydrophobicContact CB-CG1 4.17Å; H571-I607 HydrophobicContact CB-CG2 4.32Å; E605-I607 PolarHBondContact O-N 3.49Å; I607-G609 PolarHBondContact O-N 3.24Å; I607-S610 VanDerWaalsContact O-CB 3.26Å; I607-S610 WeakPolarHBondContact O-CB 3.34Å; I607-S610 PolarHBondContact O-N 2.98Å; I607-S610 VanDerWaalsContact O-N 3.11Å; I607-S610 PolarHBondContact O-OG 3.1Å
608	P	94.6	Very high	81.3	Confident	116 Å²	116	72.3 Å²	72.3	75%	0.753	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	133.7	178.5	-28.9	36	0	0	0	113.2
609	G	94.3	Very high	84.3	Confident	79 Å²	79	69.9 Å²	69.9	81%	0.814	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.7	7.2	-175.2	0	0	0	0	0	115.2	I607	I607-G609 PolarHBondContact O-N 3.24Å
610	S	97.6	Very high	87.1	Confident	28 Å²	28	65.2 Å²	65.2	20%	0.196	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-75.4	145	174.5	-58.5	0	0	0	0	113.4	Y553 V562 I607	Y553-S610 WeakPolarHBondContact CE1-OG 3.33Å; Y553-S610 WeakPolarHBondContact OH-CB 3.3Å; Y553-S610 PolarHBondContact OH-OG 2.79Å; V562-S610 CarbonylContact O-C 3.56Å; V562-S610 WeakPolarHBondContact O-CA 3.49Å; I607-S610 VanDerWaalsContact O-CB 3.26Å; I607-S610 WeakPolarHBondContact O-CB 3.34Å; I607-S610 PolarHBondContact O-N 2.98Å; I607-S610 VanDerWaalsContact O-N 3.11Å; I607-S610 PolarHBondContact O-OG 3.1Å
611	Q	97.6	Very high	89.9	Confident	84 Å²	84	67 Å²	67	39%	0.393	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	130.8	168.4	170.9	-170.9	7.3	0	0	108.7	Y561 V562 L613	Y561-Q611 CarbonylContact C-O 3.5Å; Y561-Q611 VanDerWaalsContact CA-O 3.31Å; Y561-Q611 WeakPolarHBondContact CA-O 3.24Å; V562-Q611 HydrophobicContact CG1-CB 3.78Å; V562-Q611 HydrophobicContact CG1-CG 4.1Å; V562-Q611 PolarHBondContact N-O 3.27Å; V562-Q611 PolarHBondContact O-N 3.13Å; Q611-L613 HydrophobicContact CG-CD2 4.31Å
612	L	98.1	Very high	92	Very high	81 Å²	81	63 Å²	63	42%	0.424	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	132.6	168.9	-179.7	68.1	0	0	0	109.3	Y561 W614 R615	Y561-L612 HydrophobicContact CD1-CB 4.06Å; Y561-L612 HydrophobicContact CD1-CD1 3.96Å; Y561-L612 HydrophobicContact CE1-CB 3.9Å; Y561-L612 HydrophobicContact CE1-CD1 3.51Å; Y561-L612 HydrophobicContact CE1-CG 4.29Å; Y561-L612 HydrophobicContact CE2-CD1 4.29Å; L612-W614 WeakPolarHBondContact CD1-O 3.38Å; L612-R615 HydrophobicContact CD1-CB 4.42Å; L612-R615 HydrophobicContact CD2-CB 4.45Å
613	L	98.2	Very high	93.7	Very high	18 Å²	18	59.6 Å²	59.6	9%	0.094	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	-42.9	173.8	-64.3	-176.3	0	0	0	112.5	K385 A389 L552 L560 V562 Q611	K385-L613 HydrophobicContact CB-CD1 3.88Å; K385-L613 HydrophobicContact CB-CD2 3.96Å; K385-L613 HydrophobicContact CD-CD2 4.23Å; K385-L613 HydrophobicContact CG-CD1 4.28Å; K385-L613 HydrophobicContact CG-CD2 4.46Å; A389-L613 HydrophobicContact CB-CB 3.83Å; A389-L613 HydrophobicContact CB-CD1 4.45Å; L552-L613 HydrophobicContact CD2-CD1 3.94Å; L560-L613 PolarHBondContact O-N 2.84Å; V562-L613 HydrophobicContact CB-CD1 3.8Å; V562-L613 HydrophobicContact CB-CG 4.09Å; V562-L613 HydrophobicContact CG1-CD1 3.93Å; V562-L613 HydrophobicContact CG1-CD2 3.72Å; V562-L613 HydrophobicContact CG1-CG 3.76Å; Q611-L613 HydrophobicContact CG-CD2 4.31Å
614	W	98.4	Very high	94.3	Very high	2 Å²	2	60.4 Å²	60.4	1%	0.008	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	149.8	-179.9	162.8	80.6	0	0	0	110.5	H367 L370 A389 V392 S393 A396 W556 S559 L560 L612 I616	H367-W614 AromaticContact CD2-CD1 3.56Å; H367-W614 AromaticContact CD2-NE1 3.07Å; H367-W614 PolarHBondContact CD2-NE1 3.34Å; H367-W614 AromaticContact CE1-NE1 3.72Å; H367-W614 AromaticContact CG-NE1 3.74Å; H367-W614 AromaticContact NE2-CD1 3.97Å; H367-W614 AromaticContact NE2-CE2 3.97Å; H367-W614 AromaticContact NE2-NE1 3.03Å; H367-W614 PolarHBondContact NE2-NE1 2.84Å; L370-W614 HydrophobicContact CD1-CB 4.23Å; L370-W614 HydrophobicContact CD1-CG 4.34Å; A389-W614 HydrophobicContact CB-CB 4.04Å; V392-W614 HydrophobicContact CG1-CE3 4.34Å; V392-W614 HydrophobicContact CG1-CZ3 4.14Å; S393-W614 VanDerWaalsContact CB-NE1 3.29Å; A396-W614 HydrophobicContact CB-CH2 3.58Å; A396-W614 HydrophobicContact CB-CZ2 3.41Å; A396-W614 VanDerWaalsContact CB-CZ2 3.41Å; W556-W614 WeakPolarHBondContact O-CH2 3.19Å; S559-W614 CarbonylContact C-O 3.51Å; S559-W614 VanDerWaalsContact CA-O 3.25Å; S559-W614 WeakPolarHBondContact CA-O 3.45Å; S559-W614 VanDerWaalsContact CB-O 3.28Å; S559-W614 WeakPolarHBondContact CB-O 3.39Å; L560-W614 HydrophobicContact CB-CE3 3.99Å; L560-W614 PolarHBondContact N-O 2.89Å; L560-W614 PolarHBondContact O-N 2.93Å; L612-W614 WeakPolarHBondContact CD1-O 3.38Å; W614-I616 HydrophobicContact CH2-CB 3.95Å; W614-I616 HydrophobicContact CH2-CG1 4.49Å; W614-I616 HydrophobicContact CZ2-CB 3.61Å; W614-I616 HydrophobicContact CZ2-CG1 3.99Å
615	R	96.6	Very high	94.6	Very high	97 Å²	97	65.1 Å²	65.1	37%	0.366	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	139.2	172	-179.7	176.8	-71.2	-125.3	-5.9	107.8	E558 Y561 D602 L612	E558-R615 WeakPolarHBondContact O-CA 3.25Å; Y561-R615 PolarHBondContact OH-NH2 3.02Å; D602-R615 IonicContact OD1-CZ 3.49Å; D602-R615 IonicContact OD1-NH1 3.39Å; D602-R615 PolarHBondContact OD1-NH1 2.81Å; D602-R615 IonicContact OD1-NH2 2.72Å; D602-R615 IonicContact OD2-CZ 3.63Å; D602-R615 IonicContact OD2-NH1 2.75Å; D602-R615 PolarHBondContact OD2-NH1 2.88Å; D602-R615 IonicContact OD2-NH2 3.62Å; D602-R615 PolarHBondContact OD2-NH2 3.44Å; L612-R615 HydrophobicContact CD1-CB 4.42Å; L612-R615 HydrophobicContact CD2-CB 4.45Å
616	I	94.8	Very high	94.9	Very high	35 Å²	35	59.6 Å²	59.6	18%	0.179	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-63.8	144.7	178.8	-158.7	169.7	0	0	0	110.6	A396 E558 W614	A396-I616 HydrophobicContact CB-CD1 4.07Å; A396-I616 HydrophobicContact CB-CG1 4.38Å; E558-I616 PolarHBondContact O-N 2.88Å; W614-I616 HydrophobicContact CH2-CB 3.95Å; W614-I616 HydrophobicContact CH2-CG1 4.49Å; W614-I616 HydrophobicContact CZ2-CB 3.61Å; W614-I616 HydrophobicContact CZ2-CG1 3.99Å
617	A	90.4	Very high	94.9	Very high	49 Å²	49	56.6 Å²	56.6	41%	0.405	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-66.6	134.3	168.2	0	0	0	0	0	109.9	R619	A617-R619 PolarHBondContact O-N 2.96Å
618	P	90.7	Very high	94.9	Very high	120 Å²	120	57 Å²	57	78%	0.779	35%	0.348	S	S	*	.	P	Polyproline II helix	trans	-57	135.1	170.6	-24.2	34.4	0	0	0	110.7
619	R	93.4	Very high	95	Very high	56 Å²	56	51.4 Å²	51.4	21%	0.211	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-67	144.4	176.2	-77.4	-176.9	164	167.2	-3.2	110.9	S397 W399 E400 A617 S628	S397-R619 PolarHBondContact O-NH2 2.62Å; W399-R619 VanDerWaalsContact O-CZ 3.26Å; W399-R619 PolarHBondContact O-NH1 2.82Å; W399-R619 PolarHBondContact O-NH2 3.46Å; E400-R619 IonicContact OE2-CZ 2.72Å; E400-R619 IonicContact OE2-NH1 2.64Å; E400-R619 PolarHBondContact OE2-NH1 2.84Å; A617-R619 PolarHBondContact O-N 2.96Å; R619-S628 PolarHBondContact NE-O 3.24Å; R619-S628 PolarHBondContact NH2-O 3.23Å
620	P	94.3	Very high	95.2	Very high	31 Å²	31	48 Å²	48	20%	0.201	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-65.7	152.8	176.1	30.4	-36.1	0	0	0	110.3	N622 S623 M634	P620-N622 WeakPolarHBondContact CB-OD1 3.16Å; P620-N622 PolarHBondContact O-N 2.91Å; P620-N622 VanDerWaalsContact O-N 3.1Å; P620-S623 WeakPolarHBondContact O-CB 2.8Å; P620-S623 PolarHBondContact O-N 2.98Å; P620-M634 HydrophobicContact CG-CE 3.57Å; P620-M634 HydrophobicContact CG-SD 4.3Å
621	A	94.8	Very high	95.1	Very high	110 Å²	110	49.3 Å²	49.3	91%	0.909	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-23.9	-170.5	0	0	0	0	0	114.4
622	N	94.6	Very high	95.1	Very high	35 Å²	35	45.9 Å²	45.9	19%	0.187	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	0.4	174.7	61.9	-12.2	0	0	0	113.8	A316 P620 T624 Q625 M626	A316-N622 PolarHBondContact O-ND2 3.09Å; P620-N622 WeakPolarHBondContact CB-OD1 3.16Å; P620-N622 PolarHBondContact O-N 2.91Å; P620-N622 VanDerWaalsContact O-N 3.1Å; N622-T624 VanDerWaalsContact C-N 3.32Å; N622-T624 PolarHBondContact O-N 3.04Å; N622-Q625 WeakPolarHBondContact O-CA 3.25Å; N622-Q625 WeakPolarHBondContact O-CB 3.24Å; N622-Q625 PolarHBondContact O-N 3.36Å; N622-M626 HydrophobicContact CB-CG 4.39Å; N622-M626 WeakPolarHBondContact O-CG 3.44Å; N622-M626 PolarHBondContact O-N 3.4Å; N622-M626 VanDerWaalsContact O-N 3.17Å
623	S	94.8	Very high	95.1	Very high	4 Å²	4	42 Å²	42	3%	0.028	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-53.5	-44.4	-172.5	-177.5	0	0	0	0	113.1	P620 Q625 M626 S628 F629	P620-S623 WeakPolarHBondContact O-CB 2.8Å; P620-S623 PolarHBondContact O-N 2.98Å; S623-Q625 VanDerWaalsContact C-N 3.28Å; S623-Q625 PolarHBondContact O-N 2.65Å; S623-M626 CarbonylContact O-C 3.55Å; S623-M626 WeakPolarHBondContact O-CA 3.4Å; S623-M626 PolarHBondContact O-N 3.14Å; S623-S628 WeakPolarHBondContact O-CA 3.24Å; S623-S628 PolarHBondContact O-N 3.35Å; S623-S628 WeakPolarHBondContact OG-CA 3.5Å; S623-F629 WeakPolarHBondContact CB-O 3.29Å; S623-F629 PolarHBondContact OG-N 3.06Å; S623-F629 PolarHBondContact OG-O 3.46Å
624	T	92.1	Very high	95	Very high	96 Å²	96	41.2 Å²	41.2	59%	0.589	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-65.7	-27	179	50.6	0	0	0	0	113.8	N622 M626	N622-T624 VanDerWaalsContact C-N 3.32Å; N622-T624 PolarHBondContact O-N 3.04Å; T624-M626 VanDerWaalsContact C-N 3.28Å
625	Q	93.1	Very high	95	Very high	116 Å²	116	42.8 Å²	42.8	54%	0.542	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-80.2	-13.5	171.7	-60.2	171.8	-16.1	0	0	112	P321 M322 N622 S623	P321-Q625 CarbonylContact C-O 3.44Å; P321-Q625 WeakPolarHBondContact CA-O 3.13Å; M322-Q625 PolarHBondContact N-O 3.37Å; N622-Q625 WeakPolarHBondContact O-CA 3.25Å; N622-Q625 WeakPolarHBondContact O-CB 3.24Å; N622-Q625 PolarHBondContact O-N 3.36Å; S623-Q625 VanDerWaalsContact C-N 3.28Å; S623-Q625 PolarHBondContact O-N 2.65Å
626	M	95.8	Very high	95	Very high	16 Å²	16	38.3 Å²	38.3	8%	0.079	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.9	53.4	-171.6	-62.6	-67.3	166.4	0	0	109.8	L318 P321 N622 S623 T624 S628 F629 M634	L318-M626 HydrophobicContact CB-SD 3.59Å; L318-M626 VanDerWaalsContact CB-SD 3.59Å; L318-M626 HydrophobicContact CD1-SD 4.17Å; L318-M626 HydrophobicContact CG-SD 3.82Å; L318-M626 PolarHBondContact N-SD 2.9Å; P321-M626 HydrophobicContact CB-CE 4.35Å; N622-M626 HydrophobicContact CB-CG 4.39Å; N622-M626 WeakPolarHBondContact O-CG 3.44Å; N622-M626 PolarHBondContact O-N 3.4Å; N622-M626 VanDerWaalsContact O-N 3.17Å; S623-M626 CarbonylContact O-C 3.55Å; S623-M626 WeakPolarHBondContact O-CA 3.4Å; S623-M626 PolarHBondContact O-N 3.14Å; T624-M626 VanDerWaalsContact C-N 3.28Å; M626-S628 PolarHBondContact O-N 3.43Å; M626-S628 VanDerWaalsContact O-N 3.08Å; M626-F629 VanDerWaalsContact O-CB 3.29Å; M626-F629 WeakPolarHBondContact O-CB 3.47Å; M626-F629 VanDerWaalsContact O-CG 3.29Å; M626-F629 WeakPolarHBondContact O-CG 3.24Å; M626-F629 PolarHBondContact O-N 3.03Å; M626-M634 HydrophobicContact CB-CE 3.63Å; M626-M634 HydrophobicContact CG-CE 4.15Å
627	Y	94.2	Very high	95.2	Very high	7 Å²	7	36.7 Å²	36.7	3%	0.027	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	24.2	176.3	-57.4	-89.9	0	0	0	115.5	L318 M322 F323 E353 P354 F629 M661	L318-Y627 HydrophobicContact CD1-CD2 3.74Å; L318-Y627 HydrophobicContact CD1-CE2 4.01Å; M322-Y627 HydrophobicContact CB-CD1 3.69Å; M322-Y627 HydrophobicContact CB-CD2 3.87Å; M322-Y627 HydrophobicContact CB-CE1 3.47Å; M322-Y627 VanDerWaalsContact CB-CE1 3.47Å; M322-Y627 HydrophobicContact CB-CE2 3.64Å; M322-Y627 HydrophobicContact CB-CG 3.89Å; M322-Y627 VanDerWaalsContact CB-CZ 3.44Å; M322-Y627 HydrophobicContact CE-CD1 4.42Å; M322-Y627 HydrophobicContact SD-CD1 4.25Å; M322-Y627 HydrophobicContact SD-CG 4.44Å; F323-Y627 AromaticContact CE1-CE1 3.92Å; F323-Y627 HydrophobicContact CE1-CE1 3.92Å; F323-Y627 VanDerWaalsContact CE1-OH 3.28Å; F323-Y627 WeakPolarHBondContact CE1-OH 3.24Å; F323-Y627 HydrophobicContact CZ-CE1 4.23Å; E353-Y627 HydrophobicContact CB-CD1 4.15Å; E353-Y627 HydrophobicContact CB-CG 4.38Å; P354-Y627 VanDerWaalsContact CD-CD2 3.47Å; P354-Y627 HydrophobicContact CG-CD2 3.81Å; P354-Y627 HydrophobicContact CG-CE2 3.58Å; Y627-F629 VanDerWaalsContact CB-CE1 3.41Å; Y627-F629 HydrophobicContact CG-CE1 4.34Å; Y627-F629 WeakPolarHBondContact O-CD1 3.23Å; Y627-F629 PolarHBondContact O-N 2.93Å; Y627-M661 HydrophobicContact CE1-CE 4.01Å
628	S	95.1	Very high	95.4	Very high	16 Å²	16	35.4 Å²	35.4	11%	0.112	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	58	30.1	-171.6	-59.7	0	0	0	0	114.2	R401 R619 S623 M626	R401-S628 VanDerWaalsContact CD-O 3.32Å; R401-S628 WeakPolarHBondContact CD-O 3.2Å; R401-S628 VanDerWaalsContact CG-O 3.26Å; R401-S628 WeakPolarHBondContact CG-O 3.3Å; R619-S628 PolarHBondContact NE-O 3.24Å; R619-S628 PolarHBondContact NH2-O 3.23Å; S623-S628 WeakPolarHBondContact O-CA 3.24Å; S623-S628 PolarHBondContact O-N 3.35Å; S623-S628 WeakPolarHBondContact OG-CA 3.5Å; M626-S628 PolarHBondContact O-N 3.43Å; M626-S628 VanDerWaalsContact O-N 3.08Å
629	F	97.4	Very high	95.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.19	C	C	.	.			trans	-67.9	145.3	179	-73.8	8.5	0	0	0	112.2	L318 E353 P354 L355 S623 M626 Y627 A633 M634	L318-F629 HydrophobicContact CD1-CD2 4.24Å; L318-F629 HydrophobicContact CD1-CE2 4.03Å; L318-F629 HydrophobicContact CD2-CD2 4.36Å; L318-F629 HydrophobicContact CD2-CE2 4.36Å; E353-F629 HydrophobicContact CB-CE1 3.99Å; E353-F629 HydrophobicContact CB-CZ 4.07Å; E353-F629 HydrophobicContact CG-CE1 4.33Å; E353-F629 HydrophobicContact CG-CZ 4.37Å; E353-F629 WeakPolarHBondContact OE2-CE1 3.35Å; P354-F629 HydrophobicContact CG-CE2 4.31Å; P354-F629 HydrophobicContact CG-CZ 4.17Å; L355-F629 HydrophobicContact CD1-CD2 4.37Å; L355-F629 HydrophobicContact CD1-CE1 4.11Å; L355-F629 HydrophobicContact CD1-CE2 3.67Å; L355-F629 HydrophobicContact CD1-CZ 3.52Å; L355-F629 HydrophobicContact CD2-CE2 4.46Å; L355-F629 HydrophobicContact CG-CE2 3.8Å; L355-F629 HydrophobicContact CG-CZ 3.66Å; S623-F629 WeakPolarHBondContact CB-O 3.29Å; S623-F629 PolarHBondContact OG-N 3.06Å; S623-F629 PolarHBondContact OG-O 3.46Å; M626-F629 VanDerWaalsContact O-CB 3.29Å; M626-F629 WeakPolarHBondContact O-CB 3.47Å; M626-F629 VanDerWaalsContact O-CG 3.29Å; M626-F629 WeakPolarHBondContact O-CG 3.24Å; M626-F629 PolarHBondContact O-N 3.03Å; Y627-F629 VanDerWaalsContact CB-CE1 3.41Å; Y627-F629 HydrophobicContact CG-CE1 4.34Å; Y627-F629 WeakPolarHBondContact O-CD1 3.23Å; Y627-F629 PolarHBondContact O-N 2.93Å; F629-A633 HydrophobicContact CB-CB 3.98Å; F629-A633 HydrophobicContact CD2-CB 4.35Å; F629-A633 HydrophobicContact CG-CB 4.09Å; F629-M634 HydrophobicContact CB-CE 4.13Å; F629-M634 HydrophobicContact CB-CG 3.74Å; F629-M634 HydrophobicContact CD2-CG 4.18Å
630	T	97.2	Very high	95.3	Very high	6 Å²	6	32.2 Å²	32.2	4%	0.037	19%	0.19	C	C	.	.			trans	-76	165.2	162.8	68.8	0	0	0	0	109.9	E366 F632 A633 M634	E366-T630 WeakPolarHBondContact OE1-CB 3.48Å; E366-T630 WeakPolarHBondContact OE1-CG2 3.41Å; E366-T630 PolarHBondContact OE1-OG1 3.36Å; T630-F632 PolarHBondContact O-N 3.5Å; T630-F632 PolarHBondContact OG1-N 2.97Å; T630-A633 PolarHBondContact O-N 3.03Å; T630-A633 VanDerWaalsContact O-N 3.1Å; T630-A633 PolarHBondContact OG1-N 2.95Å; T630-M634 WeakPolarHBondContact O-CG 3.46Å; T630-M634 PolarHBondContact O-N 3.24Å
631	S	96.1	Very high	95	Very high	56 Å²	56	38.9 Å²	38.9	39%	0.392	22%	0.216	S	C	.	.	H	α-helix	trans	-57.9	-33	175.3	-48.9	0	0	0	0	112.4	Q635	S631-Q635 WeakPolarHBondContact O-CG 3.27Å; S631-Q635 PolarHBondContact O-NE2 2.88Å
632	F	97	Very high	94.7	Very high	12 Å²	12	39.4 Å²	39.4	5%	0.053	20%	0.203	C	C	.	.	H	α-helix	trans	-67.5	-48.2	173.4	-174.7	-90.1	0	0	0	111.3	T362 E363 M365 E366 L416 L421 F423 T630 M634 Q635 L636	T362-F632 HydrophobicContact CG2-CE1 4.45Å; T362-F632 HydrophobicContact CG2-CZ 4.44Å; E363-F632 HydrophobicContact CG-CD1 4.39Å; M365-F632 HydrophobicContact CB-CZ 4.38Å; E366-F632 HydrophobicContact CB-CB 4.3Å; E366-F632 HydrophobicContact CB-CD1 4.02Å; E366-F632 HydrophobicContact CB-CD2 4.3Å; E366-F632 HydrophobicContact CB-CE1 4.4Å; E366-F632 HydrophobicContact CB-CG 3.96Å; E366-F632 HydrophobicContact CG-CB 3.79Å; E366-F632 HydrophobicContact CG-CD1 4.45Å; E366-F632 HydrophobicContact CG-CD2 4.41Å; E366-F632 HydrophobicContact CG-CG 3.99Å; E366-F632 VanDerWaalsContact OE1-CB 3.3Å; E366-F632 WeakPolarHBondContact OE1-CB 3.44Å; L416-F632 HydrophobicContact CD2-CE1 4.5Å; L416-F632 HydrophobicContact CD2-CE2 4.35Å; L416-F632 HydrophobicContact CD2-CZ 3.78Å; L421-F632 HydrophobicContact CD1-CD2 4.08Å; L421-F632 HydrophobicContact CD1-CE2 3.75Å; F423-F632 HydrophobicContact CZ-CE2 4.35Å; F423-F632 HydrophobicContact CZ-CZ 4.21Å; T630-F632 PolarHBondContact O-N 3.5Å; T630-F632 PolarHBondContact OG1-N 2.97Å; F632-M634 VanDerWaalsContact C-N 3.31Å; F632-M634 PolarHBondContact O-N 2.64Å; F632-Q635 WeakPolarHBondContact O-CB 3.46Å; F632-Q635 PolarHBondContact O-N 3.21Å; F632-L636 HydrophobicContact CD1-CD2 4.17Å; F632-L636 HydrophobicContact CD1-CG 4.47Å; F632-L636 HydrophobicContact CE1-CD2 3.69Å; F632-L636 HydrophobicContact CE1-CG 4.42Å; F632-L636 HydrophobicContact CZ-CD2 4.27Å
633	A	97.9	Very high	94.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-61.5	-35.2	-179.6	0	0	0	0	0	113.1	L355 F629 T630 Q635 L636	L355-A633 HydrophobicContact CD1-CB 4.46Å; F629-A633 HydrophobicContact CB-CB 3.98Å; F629-A633 HydrophobicContact CD2-CB 4.35Å; F629-A633 HydrophobicContact CG-CB 4.09Å; T630-A633 PolarHBondContact O-N 3.03Å; T630-A633 VanDerWaalsContact O-N 3.1Å; T630-A633 PolarHBondContact OG1-N 2.95Å; A633-Q635 PolarHBondContact O-N 3.49Å; A633-L636 PolarHBondContact O-N 3.4Å
634	M	97.1	Very high	94.1	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-59.8	-31.7	173.7	-68	-175.4	-170.3	0	0	113.1	R315 P620 M626 F629 T630 F632	R315-M634 VanDerWaalsContact CZ-O 3.26Å; R315-M634 PolarHBondContact NE-O 3.46Å; R315-M634 PolarHBondContact NH2-O 2.89Å; P620-M634 HydrophobicContact CG-CE 3.57Å; P620-M634 HydrophobicContact CG-SD 4.3Å; M626-M634 HydrophobicContact CB-CE 3.63Å; M626-M634 HydrophobicContact CG-CE 4.15Å; F629-M634 HydrophobicContact CB-CE 4.13Å; F629-M634 HydrophobicContact CB-CG 3.74Å; F629-M634 HydrophobicContact CD2-CG 4.18Å; T630-M634 WeakPolarHBondContact O-CG 3.46Å; T630-M634 PolarHBondContact O-N 3.24Å; F632-M634 VanDerWaalsContact C-N 3.31Å; F632-M634 PolarHBondContact O-N 2.64Å
635	Q	96.9	Very high	93.7	Very high	36 Å²	36	45.3 Å²	45.3	17%	0.168	25%	0.246	C	C	.	.	H	α-helix	trans	-84.1	-17.2	-172.9	-62.9	167.5	-8.8	0	0	112.8	H314 S631 F632 A633 N637 E638	H314-Q635 HydrophobicContact CB-CG 3.77Å; S631-Q635 WeakPolarHBondContact O-CG 3.27Å; S631-Q635 PolarHBondContact O-NE2 2.88Å; F632-Q635 WeakPolarHBondContact O-CB 3.46Å; F632-Q635 PolarHBondContact O-N 3.21Å; A633-Q635 PolarHBondContact O-N 3.49Å; Q635-N637 VanDerWaalsContact C-N 3.34Å; Q635-N637 PolarHBondContact O-N 2.88Å; Q635-E638 VanDerWaalsContact O-CB 3.29Å; Q635-E638 WeakPolarHBondContact O-CB 3.41Å; Q635-E638 PolarHBondContact O-N 3.33Å
636	L	97.9	Very high	93.7	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.01	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-37.2	-171.2	-67.1	176	0	0	0	114.3	L355 Q359 T362 E363 Y414 L416 F632 A633	L355-L636 HydrophobicContact CD1-CD1 4.26Å; L355-L636 HydrophobicContact CD2-CB 3.95Å; Q359-L636 HydrophobicContact CB-CB 4.23Å; Q359-L636 HydrophobicContact CB-CD1 4.11Å; Q359-L636 HydrophobicContact CG-CB 4.21Å; Q359-L636 PolarHBondContact NE2-O 3.04Å; Q359-L636 WeakPolarHBondContact O-CD1 3.37Å; T362-L636 HydrophobicContact CG2-CD2 3.9Å; E363-L636 HydrophobicContact CG-CD1 3.72Å; Y414-L636 HydrophobicContact CE1-CD2 4.48Å; Y414-L636 VanDerWaalsContact CE2-O 3.25Å; Y414-L636 WeakPolarHBondContact CE2-O 3.43Å; Y414-L636 WeakPolarHBondContact OH-CA 3.29Å; Y414-L636 WeakPolarHBondContact OH-CD2 3.08Å; Y414-L636 PolarHBondContact OH-O 3.32Å; L416-L636 HydrophobicContact CD2-CD2 3.84Å; F632-L636 HydrophobicContact CD1-CD2 4.17Å; F632-L636 HydrophobicContact CD1-CG 4.47Å; F632-L636 HydrophobicContact CE1-CD2 3.69Å; F632-L636 HydrophobicContact CE1-CG 4.42Å; F632-L636 HydrophobicContact CZ-CD2 4.27Å; A633-L636 PolarHBondContact O-N 3.4Å
637	N	97.8	Very high	93.7	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	12.3	-177	-163.3	52.7	0	0	0	113	L355 Q359 Q635 R653 R659 E662	L355-N637 HydrophobicContact CD2-CB 3.77Å; Q359-N637 PolarHBondContact NE2-OD1 3.41Å; Q635-N637 VanDerWaalsContact C-N 3.34Å; Q635-N637 PolarHBondContact O-N 2.88Å; N637-R653 WeakPolarHBondContact OD1-CA 3.34Å; N637-R659 PolarHBondContact ND2-NH1 3.19Å; N637-R659 PolarHBondContact O-NH1 2.8Å; N637-R659 PolarHBondContact O-NH2 3.49Å; N637-E662 WeakPolarHBondContact CB-OE1 3.43Å; N637-E662 PolarHBondContact ND2-OE1 2.98Å
638	E	95.3	Very high	93.7	Very high	23 Å²	23	42.2 Å²	42.2	11%	0.107	24%	0.236	C	C	.	.			trans	-63.5	132	168.2	-167.4	164.3	-157.6	0	0	109.5	H314 R315 Q635 H640 R653	H314-E638 WeakPolarHBondContact CA-OE2 3.34Å; R315-E638 WeakPolarHBondContact CB-OE1 3.4Å; R315-E638 HydrophobicContact CG-CB 4.4Å; R315-E638 HydrophobicContact CG-CG 4.24Å; R315-E638 WeakPolarHBondContact CG-OE2 2.87Å; R315-E638 PolarHBondContact N-OE1 3.41Å; R315-E638 PolarHBondContact N-OE2 2.86Å; Q635-E638 VanDerWaalsContact O-CB 3.29Å; Q635-E638 WeakPolarHBondContact O-CB 3.41Å; Q635-E638 PolarHBondContact O-N 3.33Å; E638-H640 IonicContact OE1-CE1 2.65Å; E638-H640 PolarHBondContact OE1-CE1 2.9Å; E638-H640 IonicContact OE1-NE2 2.95Å; E638-H640 IonicContact OE2-NE2 3.64Å; E638-R653 VanDerWaalsContact O-CD 3.26Å; E638-R653 WeakPolarHBondContact O-CD 3.34Å; E638-R653 PolarHBondContact O-NE 3.11Å
639	L	93	Very high	93.7	Very high	62 Å²	62	46.1 Å²	46.1	33%	0.325	25%	0.252	S	S	.	.			trans	-123.7	109.2	-179.9	177.7	63.5	0	0	0	108	M643 I647 R653 L654	L639-M643 HydrophobicContact CD1-CB 4.04Å; L639-M643 HydrophobicContact CD1-SD 4.32Å; L639-I647 HydrophobicContact CD1-CD1 3.71Å; L639-R653 HydrophobicContact CB-CB 4.33Å; L639-R653 HydrophobicContact CD1-CB 4.09Å; L639-L654 HydrophobicContact CD1-CD2 4.49Å; L639-L654 HydrophobicContact CD2-CD2 4.02Å
640	H	89	Confident	93.6	Very high	46 Å²	46	46.2 Å²	46.2	21%	0.213	25%	0.253	C	S	.	.			trans	-94.9	154.1	178.2	-59.4	-69.6	0	0	0	110.6	E638 D642 M643	E638-H640 IonicContact OE1-CE1 2.65Å; E638-H640 PolarHBondContact OE1-CE1 2.9Å; E638-H640 IonicContact OE1-NE2 2.95Å; E638-H640 IonicContact OE2-NE2 3.64Å; H640-D642 WeakPolarHBondContact CB-OD1 3.26Å; H640-D642 PolarHBondContact O-N 2.97Å; H640-M643 HydrophobicContact CB-CG 4.37Å; H640-M643 HydrophobicContact CB-SD 4.4Å; H640-M643 VanDerWaalsContact O-CB 3.26Å; H640-M643 WeakPolarHBondContact O-CB 3.48Å; H640-M643 PolarHBondContact O-N 3.44Å
641	K	87.8	Confident	93.7	Very high	171 Å²	171	46 Å²	46	74%	0.743	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-65.8	-23.1	-175.4	-67.2	173.1	-178.3	164.5	0	113.9	M643 E644	K641-M643 VanDerWaalsContact C-N 3.27Å; K641-E644 WeakPolarHBondContact O-CB 3.34Å; K641-E644 PolarHBondContact O-N 3.13Å
642	D	87.9	Confident	93.8	Very high	121 Å²	121	43.3 Å²	43.3	65%	0.647	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-76.8	-12.5	174.1	64.4	-33.2	0	0	0	113.2	H640 V646	H640-D642 WeakPolarHBondContact CB-OD1 3.26Å; H640-D642 PolarHBondContact O-N 2.97Å; D642-V646 VanDerWaalsContact O-CG2 3.3Å; D642-V646 WeakPolarHBondContact O-CG2 3.47Å
643	M	91.4	Very high	93.8	Very high	42 Å²	42	43 Å²	43	21%	0.207	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-80.2	-20.4	170.3	-60.9	178.1	167.3	0	0	112.4	L639 H640 K641 G645 V646 I647	L639-M643 HydrophobicContact CD1-CB 4.04Å; L639-M643 HydrophobicContact CD1-SD 4.32Å; H640-M643 HydrophobicContact CB-CG 4.37Å; H640-M643 HydrophobicContact CB-SD 4.4Å; H640-M643 VanDerWaalsContact O-CB 3.26Å; H640-M643 WeakPolarHBondContact O-CB 3.48Å; H640-M643 PolarHBondContact O-N 3.44Å; K641-M643 VanDerWaalsContact C-N 3.27Å; M643-G645 PolarHBondContact O-N 2.87Å; M643-V646 PolarHBondContact O-N 2.74Å; M643-I647 HydrophobicContact CB-CD1 4.34Å; M643-I647 HydrophobicContact CB-CG2 3.99Å; M643-I647 PolarHBondContact O-N 3.09Å
644	E	85.9	Confident	93.8	Very high	133 Å²	133	46.4 Å²	46.4	62%	0.621	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	122.1	-179.5	-65.6	179.3	-147.8	0	0	110.9	K641 V646	K641-E644 WeakPolarHBondContact O-CB 3.34Å; K641-E644 PolarHBondContact O-N 3.13Å; E644-V646 PolarHBondContact O-N 2.75Å
645	G	83.8	Confident	93.8	Very high	84 Å²	84	46.5 Å²	46.5	87%	0.866	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.2	-5.5	-174.1	0	0	0	0	0	115.4	M643	M643-G645 PolarHBondContact O-N 2.87Å
646	V	92.5	Very high	93.9	Very high	62 Å²	62	46.3 Å²	46.3	38%	0.376	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-39.7	173.4	179.6	0	0	0	0	111.4	D642 M643 E644 R728	D642-V646 VanDerWaalsContact O-CG2 3.3Å; D642-V646 WeakPolarHBondContact O-CG2 3.47Å; M643-V646 PolarHBondContact O-N 2.74Å; E644-V646 PolarHBondContact O-N 2.75Å; V646-R728 WeakPolarHBondContact O-CD 3.36Å
647	I	95.5	Very high	93.9	Very high	12 Å²	12	46.2 Å²	46.2	6%	0.062	25%	0.251	C	S	.	.	S	Bend	trans	-81.6	149.1	174	69.3	-176.8	0	0	0	110.8	E415 L639 M643 D651 R653 L654	E415-I647 HydrophobicContact CG-CG2 4.39Å; L639-I647 HydrophobicContact CD1-CD1 3.71Å; M643-I647 HydrophobicContact CB-CD1 4.34Å; M643-I647 HydrophobicContact CB-CG2 3.99Å; M643-I647 PolarHBondContact O-N 3.09Å; I647-D651 HydrophobicContact CB-CB 4.17Å; I647-D651 HydrophobicContact CD1-CB 4.07Å; I647-D651 HydrophobicContact CG1-CB 4.3Å; I647-R653 HydrophobicContact CD1-CB 4.46Å; I647-L654 HydrophobicContact CD1-CD1 4.18Å; I647-L654 HydrophobicContact CD1-CD2 4.16Å; I647-L654 HydrophobicContact CD1-CG 4Å; I647-L654 HydrophobicContact CG1-CD1 4.22Å
648	P	95.4	Very high	93.9	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.006	25%	0.251	C	S	.	.			trans	-68	154.2	175.3	31	-37.9	0	0	0	111.5	T650 D651 Y725 Y730 L733	P648-T650 PolarHBondContact O-N 2.94Å; P648-D651 HydrophobicContact CG-CB 4.26Å; P648-D651 PolarHBondContact O-N 2.93Å; P648-Y725 VanDerWaalsContact CD-OH 3.29Å; P648-Y725 WeakPolarHBondContact CD-OH 3.22Å; P648-Y725 HydrophobicContact CG-CE2 3.98Å; P648-Y725 WeakPolarHBondContact CG-OH 3.39Å; P648-Y730 HydrophobicContact CB-CD1 4.39Å; P648-Y730 HydrophobicContact CB-CD2 4.02Å; P648-Y730 HydrophobicContact CB-CE1 4.41Å; P648-Y730 HydrophobicContact CB-CE2 4.01Å; P648-Y730 HydrophobicContact CB-CG 4.24Å; P648-Y730 HydrophobicContact CG-CE2 4.42Å; P648-L733 HydrophobicContact CB-CD1 3.38Å
649	Q	94.9	Very high	94	Very high	98 Å²	98	47.5 Å²	47.5	46%	0.458	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-11.8	173.7	75.6	-175	25.8	0	0	114.5	L733 P734 Y737	Q649-L733 HydrophobicContact CG-CB 4.28Å; Q649-L733 HydrophobicContact CG-CD1 4.49Å; Q649-L733 PolarHBondContact NE2-O 3.02Å; Q649-P734 PolarHBondContact NE2-O 3Å; Q649-Y737 WeakPolarHBondContact O-CD2 3.42Å; Q649-Y737 VanDerWaalsContact O-CE2 3.23Å; Q649-Y737 WeakPolarHBondContact O-CE2 3.44Å
650	T	95.9	Very high	94.2	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.012	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-1.2	179.1	53.8	0	0	0	0	113.5	T413 P648 L733 P734 I736 Y737	T413-T650 PolarHBondContact N-O 3.2Å; T413-T650 VanDerWaalsContact O-O 3.11Å; T413-T650 WeakPolarHBondContact OG1-CB 3.32Å; T413-T650 PolarHBondContact OG1-O 2.87Å; T413-T650 PolarHBondContact OG1-OG1 3.25Å; P648-T650 PolarHBondContact O-N 2.94Å; T650-L733 HydrophobicContact CG2-CB 4.43Å; T650-P734 HydrophobicContact CG2-CG 3.9Å; T650-P734 WeakPolarHBondContact CG2-O 3.42Å; T650-I736 HydrophobicContact CG2-CD1 3.99Å; T650-I736 HydrophobicContact CG2-CG1 4.25Å; T650-Y737 PolarHBondContact O-OH 3.32Å; T650-Y737 VanDerWaalsContact O-OH 3.13Å
651	D	98.2	Very high	94.6	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-71.1	128.7	177.2	-170.8	-89.2	0	0	0	111.1	T413 Y414 E415 I647 P648 R653 L654	T413-D651 WeakPolarHBondContact O-CA 3.43Å; T413-D651 PolarHBondContact OG1-N 3.37Å; Y414-D651 WeakPolarHBondContact CA-OD2 3.38Å; E415-D651 PolarHBondContact N-OD2 3.2Å; I647-D651 HydrophobicContact CB-CB 4.17Å; I647-D651 HydrophobicContact CD1-CB 4.07Å; I647-D651 HydrophobicContact CG1-CB 4.3Å; P648-D651 HydrophobicContact CG-CB 4.26Å; P648-D651 PolarHBondContact O-N 2.93Å; D651-R653 VanDerWaalsContact CG-NH1 3.34Å; D651-R653 PolarHBondContact O-N 3.3Å; D651-R653 VanDerWaalsContact OD1-CB 3.29Å; D651-R653 WeakPolarHBondContact OD1-CB 3.35Å; D651-R653 WeakPolarHBondContact OD1-CD 3.23Å; D651-R653 WeakPolarHBondContact OD1-CG 3.47Å; D651-R653 IonicContact OD1-CZ 3.71Å; D651-R653 PolarHBondContact OD1-N 2.9Å; D651-R653 VanDerWaalsContact OD1-N 3.11Å; D651-R653 IonicContact OD1-NH1 3.18Å; D651-R653 PolarHBondContact OD1-NH1 3.27Å; D651-R653 IonicContact OD2-NH1 2.67Å; D651-R653 PolarHBondContact OD2-NH1 2.83Å; D651-R653 VanDerWaalsContact OD2-NH1 3.15Å; D651-L654 WeakPolarHBondContact O-CB 3.17Å; D651-L654 PolarHBondContact O-N 3.32Å
652	C	98.1	Very high	95	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-68.4	-5.9	-171.3	67.8	0	0	0	0	115.6	S356 E412 T413 Y414 L654 R655 Y737	S356-C652 VanDerWaalsContact CB-SG 3.57Å; E412-C652 HydrophobicContact CG-CB 3.99Å; E412-C652 WeakPolarHBondContact OE1-CB 3.39Å; T413-C652 PolarHBondContact O-N 2.79Å; Y414-C652 WeakPolarHBondContact CD2-SG 3.43Å; C652-L654 PolarHBondContact O-N 2.92Å; C652-R655 HydrophobicContact CB-CB 4.39Å; C652-R655 VanDerWaalsContact O-CB 3.24Å; C652-R655 WeakPolarHBondContact O-CB 3.45Å; C652-R655 PolarHBondContact O-N 3.34Å; C652-Y737 WeakPolarHBondContact CA-OH 3.42Å
653	R	97.9	Very high	95.4	Very high	6 Å²	6	33 Å²	33	2%	0.023	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-61.1	-28.6	163.7	-69.4	173.2	-175	82.2	-1.9	113.3	Y414 E415 N637 E638 L639 I647 D651 R655 R659	Y414-R653 VanDerWaalsContact CE2-CZ 3.45Å; Y414-R653 PolarHBondContact OH-NH2 3.48Å; E415-R653 VanDerWaalsContact O-CZ 3.3Å; E415-R653 PolarHBondContact O-NH1 2.69Å; E415-R653 PolarHBondContact O-NH2 3.12Å; N637-R653 WeakPolarHBondContact OD1-CA 3.34Å; E638-R653 VanDerWaalsContact O-CD 3.26Å; E638-R653 WeakPolarHBondContact O-CD 3.34Å; E638-R653 PolarHBondContact O-NE 3.11Å; L639-R653 HydrophobicContact CB-CB 4.33Å; L639-R653 HydrophobicContact CD1-CB 4.09Å; I647-R653 HydrophobicContact CD1-CB 4.46Å; D651-R653 VanDerWaalsContact CG-NH1 3.34Å; D651-R653 PolarHBondContact O-N 3.3Å; D651-R653 VanDerWaalsContact OD1-CB 3.29Å; D651-R653 WeakPolarHBondContact OD1-CB 3.35Å; D651-R653 WeakPolarHBondContact OD1-CD 3.23Å; D651-R653 WeakPolarHBondContact OD1-CG 3.47Å; D651-R653 IonicContact OD1-CZ 3.71Å; D651-R653 PolarHBondContact OD1-N 2.9Å; D651-R653 VanDerWaalsContact OD1-N 3.11Å; D651-R653 IonicContact OD1-NH1 3.18Å; D651-R653 PolarHBondContact OD1-NH1 3.27Å; D651-R653 IonicContact OD2-NH1 2.67Å; D651-R653 PolarHBondContact OD2-NH1 2.83Å; D651-R653 VanDerWaalsContact OD2-NH1 3.15Å; R653-R655 VanDerWaalsContact C-N 3.32Å; R653-R659 PolarHBondContact O-NH2 2.67Å
654	L	97.3	Very high	95.5	Very high	72 Å²	72	32.8 Å²	32.8	38%	0.377	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-87.2	-3.1	178.9	-56.4	176.4	0	0	0	112.4	L639 I647 D651 C652 P656 Y737	L639-L654 HydrophobicContact CD1-CD2 4.49Å; L639-L654 HydrophobicContact CD2-CD2 4.02Å; I647-L654 HydrophobicContact CD1-CD1 4.18Å; I647-L654 HydrophobicContact CD1-CD2 4.16Å; I647-L654 HydrophobicContact CD1-CG 4Å; I647-L654 HydrophobicContact CG1-CD1 4.22Å; D651-L654 WeakPolarHBondContact O-CB 3.17Å; D651-L654 PolarHBondContact O-N 3.32Å; C652-L654 PolarHBondContact O-N 2.92Å; L654-P656 WeakPolarHBondContact O-CD 3.17Å; L654-Y737 HydrophobicContact CB-CD2 4.34Å; L654-Y737 HydrophobicContact CB-CE2 4.07Å
655	R	98.1	Very high	95.9	Very high	3 Å²	3	29.8 Å²	29.8	1%	0.011	19%	0.185	C	C	.	.			trans	-77	118.8	-174.6	-170.8	176.3	151.6	161.7	-0.4	110.6	N407 E412 C652 R653 D657 I658 R659 L676 Y737	N407-R655 PolarHBondContact O-NH1 2.87Å; E412-R655 IonicContact OE1-NH1 3.85Å; E412-R655 WeakPolarHBondContact OE2-CD 3.41Å; E412-R655 IonicContact OE2-CZ 2.8Å; E412-R655 IonicContact OE2-NE 2.86Å; E412-R655 IonicContact OE2-NH1 3.2Å; E412-R655 PolarHBondContact OE2-NH1 2.91Å; C652-R655 HydrophobicContact CB-CB 4.39Å; C652-R655 VanDerWaalsContact O-CB 3.24Å; C652-R655 WeakPolarHBondContact O-CB 3.45Å; C652-R655 PolarHBondContact O-N 3.34Å; R653-R655 VanDerWaalsContact C-N 3.32Å; R655-D657 VanDerWaalsContact CG-OD1 3.27Å; R655-D657 WeakPolarHBondContact CG-OD1 3.03Å; R655-D657 IonicContact CZ-OD1 3.89Å; R655-D657 IonicContact CZ-OD2 3.84Å; R655-D657 IonicContact NE-OD1 2.73Å; R655-D657 PolarHBondContact NE-OD1 3.04Å; R655-D657 IonicContact NE-OD2 3.15Å; R655-D657 IonicContact NH2-OD1 3.56Å; R655-D657 PolarHBondContact NH2-OD1 2.76Å; R655-D657 IonicContact NH2-OD2 3.69Å; R655-D657 PolarHBondContact NH2-OD2 2.98Å; R655-I658 HydrophobicContact CB-CD1 4.28Å; R655-I658 HydrophobicContact CB-CG1 4.29Å; R655-I658 HydrophobicContact CG-CD1 4.32Å; R655-I658 HydrophobicContact CG-CG1 4.15Å; R655-I658 PolarHBondContact O-N 3.2Å; R655-R659 PolarHBondContact O-N 2.7Å; R655-L676 HydrophobicContact CG-CD1 3.99Å; R655-Y737 HydrophobicContact CB-CD1 4.3Å; R655-Y737 HydrophobicContact CB-CE1 3.7Å; R655-Y737 HydrophobicContact CB-CE2 4.2Å; R655-Y737 HydrophobicContact CG-CD1 3.91Å; R655-Y737 HydrophobicContact CG-CE1 3.47Å; R655-Y737 VanDerWaalsContact CG-CE1 3.47Å
656	P	98	Very high	96.2	Very high	32 Å²	32	27.3 Å²	27.3	21%	0.208	15%	0.151	C	C	.	.	H	α-helix	trans	-72.3	-35.9	-163.7	24.8	-34	0	0	0	114.6	L654 I658 R659 A660 E672 L676	L654-P656 WeakPolarHBondContact O-CD 3.17Å; P656-I658 VanDerWaalsContact C-N 3.35Å; P656-I658 PolarHBondContact O-N 2.94Å; P656-R659 PolarHBondContact O-N 3.27Å; P656-A660 WeakPolarHBondContact O-CB 3.48Å; P656-A660 PolarHBondContact O-N 2.69Å; P656-E672 HydrophobicContact CB-CB 4.41Å; P656-E672 HydrophobicContact CB-CG 4.16Å; P656-E672 WeakPolarHBondContact CB-OE2 3.16Å; P656-E672 HydrophobicContact CG-CB 4.42Å; P656-E672 HydrophobicContact CG-CG 4.47Å; P656-E672 WeakPolarHBondContact CG-OE2 3.21Å; P656-L676 HydrophobicContact CG-CD1 4.2Å; P656-L676 HydrophobicContact CG-CD2 4.46Å
657	D	97.9	Very high	96	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-65.3	-36.7	178.4	65	-18.7	0	0	0	112.9	F406 R655 M661 A669 E672 K673 L676	F406-D657 VanDerWaalsContact CD1-OD2 3.28Å; F406-D657 WeakPolarHBondContact CD1-OD2 3.44Å; F406-D657 HydrophobicContact CE1-CB 4.01Å; F406-D657 VanDerWaalsContact CE1-OD2 3.25Å; F406-D657 WeakPolarHBondContact CE1-OD2 3.35Å; R655-D657 VanDerWaalsContact CG-OD1 3.27Å; R655-D657 WeakPolarHBondContact CG-OD1 3.03Å; R655-D657 IonicContact CZ-OD1 3.89Å; R655-D657 IonicContact CZ-OD2 3.84Å; R655-D657 IonicContact NE-OD1 2.73Å; R655-D657 PolarHBondContact NE-OD1 3.04Å; R655-D657 IonicContact NE-OD2 3.15Å; R655-D657 IonicContact NH2-OD1 3.56Å; R655-D657 PolarHBondContact NH2-OD1 2.76Å; R655-D657 IonicContact NH2-OD2 3.69Å; R655-D657 PolarHBondContact NH2-OD2 2.98Å; D657-M661 WeakPolarHBondContact O-CB 3.37Å; D657-M661 PolarHBondContact O-N 2.91Å; D657-A669 WeakPolarHBondContact CB-O 3.36Å; D657-A669 WeakPolarHBondContact O-CB 3.37Å; D657-E672 HydrophobicContact CB-CB 3.97Å; D657-K673 HydrophobicContact CB-CB 3.77Å; D657-K673 WeakPolarHBondContact OD2-CA 3.28Å; D657-K673 WeakPolarHBondContact OD2-CB 3.25Å; D657-K673 WeakPolarHBondContact OD2-CG 3.37Å; D657-L676 HydrophobicContact CB-CD1 4.17Å; D657-L676 WeakPolarHBondContact OD1-CD1 3.47Å
658	I	98.1	Very high	96	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-66.9	-44.6	172.7	-51	-169.9	0	0	0	110.3	P354 F406 R655 P656 M661 E662	P354-I658 VanDerWaalsContact C-CG2 3.5Å; P354-I658 HydrophobicContact CB-CG2 4.46Å; P354-I658 WeakPolarHBondContact O-CG2 3.36Å; F406-I658 HydrophobicContact CB-CD1 3.92Å; F406-I658 HydrophobicContact CB-CG1 4.15Å; F406-I658 HydrophobicContact CD1-CG1 4.06Å; F406-I658 HydrophobicContact CD2-CD1 4.24Å; F406-I658 HydrophobicContact CD2-CG1 3.8Å; F406-I658 HydrophobicContact CE1-CG1 4.37Å; F406-I658 HydrophobicContact CE2-CB 4.49Å; F406-I658 HydrophobicContact CE2-CG1 4.12Å; F406-I658 HydrophobicContact CG-CD1 4.09Å; F406-I658 HydrophobicContact CG-CG1 3.76Å; F406-I658 HydrophobicContact CZ-CG1 4.39Å; R655-I658 HydrophobicContact CB-CD1 4.28Å; R655-I658 HydrophobicContact CB-CG1 4.29Å; R655-I658 HydrophobicContact CG-CD1 4.32Å; R655-I658 HydrophobicContact CG-CG1 4.15Å; R655-I658 PolarHBondContact O-N 3.2Å; P656-I658 VanDerWaalsContact C-N 3.35Å; P656-I658 PolarHBondContact O-N 2.94Å; I658-M661 PolarHBondContact O-N 3.19Å; I658-E662 WeakPolarHBondContact O-CB 3.21Å; I658-E662 PolarHBondContact O-N 3.39Å
659	R	97.7	Very high	96	Very high	50 Å²	50	33.8 Å²	33.8	19%	0.189	18%	0.183	C	C	.	.	H	α-helix	trans	-67.1	-42.9	-177.8	-172	61.3	60.6	-165.1	0.8	112.6	N637 R653 R655 P656 E662 N663	N637-R659 PolarHBondContact ND2-NH1 3.19Å; N637-R659 PolarHBondContact O-NH1 2.8Å; N637-R659 PolarHBondContact O-NH2 3.49Å; R653-R659 PolarHBondContact O-NH2 2.67Å; R655-R659 PolarHBondContact O-N 2.7Å; P656-R659 PolarHBondContact O-N 3.27Å; R659-E662 IonicContact CZ-OE2 2.71Å; R659-E662 IonicContact NH1-OE1 3.53Å; R659-E662 IonicContact NH1-OE2 2.59Å; R659-E662 PolarHBondContact NH1-OE2 3.28Å; R659-E662 PolarHBondContact O-N 3.49Å; R659-N663 PolarHBondContact O-N 2.79Å; R659-N663 VanDerWaalsContact O-N 3.08Å
660	A	97.6	Very high	95.8	Very high	6 Å²	6	31.5 Å²	31.5	5%	0.05	18%	0.178	C	C	.	.	H	α-helix	trans	-59.3	-47.1	174.9	0	0	0	0	0	110.9	P656 E662 N663 G664 D665 L668 A669	P656-A660 WeakPolarHBondContact O-CB 3.48Å; P656-A660 PolarHBondContact O-N 2.69Å; A660-E662 VanDerWaalsContact C-N 3.33Å; A660-E662 PolarHBondContact O-N 2.88Å; A660-N663 CarbonylContact O-C 3.56Å; A660-N663 PolarHBondContact O-N 2.96Å; A660-N663 VanDerWaalsContact O-N 3.14Å; A660-G664 PolarHBondContact O-N 3.33Å; A660-G664 VanDerWaalsContact O-N 3.14Å; A660-D665 CarbonylContact C-O 3.6Å; A660-D665 HydrophobicContact CB-CB 4.4Å; A660-D665 PolarHBondContact O-N 3.22Å; A660-L668 HydrophobicContact CB-CB 4.1Å; A660-L668 HydrophobicContact CB-CD2 3.98Å; A660-L668 HydrophobicContact CB-CG 3.94Å; A660-A669 HydrophobicContact CB-CB 3.83Å
661	M	96.1	Very high	95.6	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-62.4	-37.1	176.9	-171.2	-175.7	-168.2	0	0	113	F323 V349 N352 P354 F406 Y627 D657 I658 N663 G664 I666 A669	F323-M661 HydrophobicContact CE1-CE 3.49Å; F323-M661 VanDerWaalsContact CE1-CE 3.49Å; F323-M661 HydrophobicContact CZ-CE 3.71Å; V349-M661 HydrophobicContact CG1-CB 4.24Å; V349-M661 HydrophobicContact CG1-CE 3.95Å; V349-M661 HydrophobicContact CG1-CG 3.89Å; V349-M661 HydrophobicContact CG1-SD 3.63Å; V349-M661 WeakPolarHBondContact O-CE 3.42Å; N352-M661 HydrophobicContact CB-CE 3.93Å; N352-M661 HydrophobicContact CB-SD 3.8Å; N352-M661 WeakPolarHBondContact O-CE 3.43Å; P354-M661 HydrophobicContact CB-CB 4.49Å; P354-M661 HydrophobicContact CB-CG 4.41Å; F406-M661 HydrophobicContact CE2-SD 3.47Å; F406-M661 WeakPolarHBondContact CE2-SD 3.37Å; F406-M661 HydrophobicContact CZ-CB 4.27Å; F406-M661 HydrophobicContact CZ-SD 3.65Å; Y627-M661 HydrophobicContact CE1-CE 4.01Å; D657-M661 WeakPolarHBondContact O-CB 3.37Å; D657-M661 PolarHBondContact O-N 2.91Å; I658-M661 PolarHBondContact O-N 3.19Å; M661-N663 VanDerWaalsContact C-N 3.29Å; M661-N663 PolarHBondContact O-N 2.88Å; M661-G664 PolarHBondContact O-N 3.22Å; M661-I666 HydrophobicContact CG-CD1 3.97Å; M661-A669 HydrophobicContact CB-CB 3.95Å
662	E	97	Very high	95.6	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-67.3	-31.6	176.7	-156.9	-170.3	-108	0	0	112.8	R315 L318 A320 P354 N637 I658 R659 A660 G664	R315-E662 IonicContact CZ-OE1 3.56Å; R315-E662 IonicContact CZ-OE2 2.73Å; R315-E662 VanDerWaalsContact NH1-CD 3.3Å; R315-E662 IonicContact NH1-OE1 3.56Å; R315-E662 PolarHBondContact NH1-OE1 2.9Å; R315-E662 IonicContact NH1-OE2 2.87Å; R315-E662 PolarHBondContact NH1-OE2 3.06Å; R315-E662 IonicContact NH2-OE1 3.59Å; R315-E662 PolarHBondContact NH2-OE1 3.19Å; R315-E662 IonicContact NH2-OE2 2.79Å; L318-E662 HydrophobicContact CB-CG 4.32Å; L318-E662 HydrophobicContact CD1-CG 4.48Å; L318-E662 HydrophobicContact CD2-CG 4.24Å; A320-E662 PolarHBondContact N-O 3.17Å; P354-E662 HydrophobicContact CB-CB 3.73Å; P354-E662 HydrophobicContact CB-CG 3.96Å; P354-E662 HydrophobicContact CG-CB 4.44Å; P354-E662 HydrophobicContact CG-CG 4.23Å; N637-E662 WeakPolarHBondContact CB-OE1 3.43Å; N637-E662 PolarHBondContact ND2-OE1 2.98Å; I658-E662 WeakPolarHBondContact O-CB 3.21Å; I658-E662 PolarHBondContact O-N 3.39Å; R659-E662 IonicContact CZ-OE2 2.71Å; R659-E662 IonicContact NH1-OE1 3.53Å; R659-E662 IonicContact NH1-OE2 2.59Å; R659-E662 PolarHBondContact NH1-OE2 3.28Å; R659-E662 PolarHBondContact O-N 3.49Å; A660-E662 VanDerWaalsContact C-N 3.33Å; A660-E662 PolarHBondContact O-N 2.88Å; E662-G664 VanDerWaalsContact C-N 3.29Å
663	N	96.4	Very high	95.4	Very high	88 Å²	88	39.8 Å²	39.8	47%	0.471	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-1.2	174.8	-67.1	-14.6	0	0	0	113.2	A320 R659 A660 M661	A320-N663 VanDerWaalsContact CB-C 3.45Å; A320-N663 WeakPolarHBondContact CB-O 3.44Å; R659-N663 PolarHBondContact O-N 2.79Å; R659-N663 VanDerWaalsContact O-N 3.08Å; A660-N663 CarbonylContact O-C 3.56Å; A660-N663 PolarHBondContact O-N 2.96Å; A660-N663 VanDerWaalsContact O-N 3.14Å; M661-N663 VanDerWaalsContact C-N 3.29Å; M661-N663 PolarHBondContact O-N 2.88Å
664	G	93.9	Very high	95	Very high	37 Å²	37	45.2 Å²	45.2	38%	0.381	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.4	1	179.6	0	0	0	0	0	115.3	A660 M661 E662 I666	A660-G664 PolarHBondContact O-N 3.33Å; A660-G664 VanDerWaalsContact O-N 3.14Å; M661-G664 PolarHBondContact O-N 3.22Å; E662-G664 VanDerWaalsContact C-N 3.29Å; G664-I666 PolarHBondContact O-N 3.49Å
665	D	94.4	Very high	94.9	Very high	71 Å²	71	46.3 Å²	46.3	38%	0.38	24%	0.239	S	C	.	.			trans	-85.3	92.2	177.1	-170.2	-19.4	0	0	0	110.2	A660 D667 L668 A669	A660-D665 CarbonylContact C-O 3.6Å; A660-D665 HydrophobicContact CB-CB 4.4Å; A660-D665 PolarHBondContact O-N 3.22Å; D665-D667 PolarHBondContact OD1-N 2.97Å; D665-L668 HydrophobicContact CB-CB 4.3Å; D665-L668 VanDerWaalsContact OD1-CB 3.27Å; D665-L668 WeakPolarHBondContact OD1-CB 3.34Å; D665-L668 PolarHBondContact OD1-N 3.44Å; D665-L668 VanDerWaalsContact OD2-CB 3.27Å; D665-L668 WeakPolarHBondContact OD2-CB 3.4Å; D665-A669 WeakPolarHBondContact O-CB 3.49Å; D665-A669 PolarHBondContact O-N 3.31Å
666	I	90.1	Very high	94.8	Very high	32 Å²	32	46.1 Å²	46.1	16%	0.164	24%	0.239	C	C	.	.	H	α-helix	trans	-79.2	-25.3	-175.8	-55.4	-54.6	0	0	0	112.2	F323 V349 I350 M661 G664 S670	F323-I666 HydrophobicContact CD1-CD1 3.56Å; F323-I666 HydrophobicContact CD1-CG1 4Å; F323-I666 HydrophobicContact CE1-CD1 3.69Å; F323-I666 HydrophobicContact CE1-CG1 4.49Å; V349-I666 HydrophobicContact CG1-CG2 4.4Å; I350-I666 HydrophobicContact CG2-CG2 3.99Å; M661-I666 HydrophobicContact CG-CD1 3.97Å; G664-I666 PolarHBondContact O-N 3.49Å; I666-S670 VanDerWaalsContact O-CB 3.31Å; I666-S670 WeakPolarHBondContact O-CB 3.48Å; I666-S670 PolarHBondContact O-N 3.08Å; I666-S670 PolarHBondContact O-OG 3.34Å
667	D	88.4	Confident	94.4	Very high	136 Å²	136	46.2 Å²	46.2	73%	0.727	24%	0.236	S	C	*	.	H	α-helix	trans	-77.6	-50.2	-179.7	-69.2	-34.5	0	0	0	110.3	D665 A669 S670 E671	D665-D667 PolarHBondContact OD1-N 2.97Å; D667-A669 VanDerWaalsContact C-N 3.29Å; D667-A669 PolarHBondContact O-N 3.13Å; D667-S670 WeakPolarHBondContact O-CB 3.32Å; D667-S670 PolarHBondContact O-N 3.45Å; D667-E671 PolarHBondContact O-N 2.9Å
668	L	94.9	Very high	94	Very high	75 Å²	75	50.2 Å²	50.2	39%	0.393	26%	0.255	S	S	.	.	H	α-helix	trans	-60	-40.7	172	-179.1	63.1	0	0	0	111.3	A660 D665 S670 E671 E672	A660-L668 HydrophobicContact CB-CB 4.1Å; A660-L668 HydrophobicContact CB-CD2 3.98Å; A660-L668 HydrophobicContact CB-CG 3.94Å; D665-L668 HydrophobicContact CB-CB 4.3Å; D665-L668 VanDerWaalsContact OD1-CB 3.27Å; D665-L668 WeakPolarHBondContact OD1-CB 3.34Å; D665-L668 PolarHBondContact OD1-N 3.44Å; D665-L668 VanDerWaalsContact OD2-CB 3.27Å; D665-L668 WeakPolarHBondContact OD2-CB 3.4Å; L668-S670 PolarHBondContact O-N 3.3Å; L668-E671 PolarHBondContact O-N 2.84Å; L668-E672 HydrophobicContact CD1-CG 3.9Å; L668-E672 HydrophobicContact CG-CG 4.23Å; L668-E672 VanDerWaalsContact O-CB 3.28Å; L668-E672 WeakPolarHBondContact O-CB 3.35Å; L668-E672 WeakPolarHBondContact O-CG 3.34Å; L668-E672 PolarHBondContact O-N 3.4Å
669	A	94.8	Very high	93.7	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-60.8	-34.3	174.6	0	0	0	0	0	112.6	V349 D657 A660 M661 D665 D667 K673	V349-A669 HydrophobicContact CG1-CB 3.87Å; V349-A669 HydrophobicContact CG2-CB 4.39Å; D657-A669 WeakPolarHBondContact CB-O 3.36Å; D657-A669 WeakPolarHBondContact O-CB 3.37Å; A660-A669 HydrophobicContact CB-CB 3.83Å; M661-A669 HydrophobicContact CB-CB 3.95Å; D665-A669 WeakPolarHBondContact O-CB 3.49Å; D665-A669 PolarHBondContact O-N 3.31Å; D667-A669 VanDerWaalsContact C-N 3.29Å; D667-A669 PolarHBondContact O-N 3.13Å; A669-K673 WeakPolarHBondContact O-CB 3.25Å; A669-K673 PolarHBondContact O-N 3.46Å; A669-K673 VanDerWaalsContact O-N 3.07Å
670	S	90	Very high	93.3	Very high	50 Å²	50	52.5 Å²	52.5	35%	0.35	27%	0.267	S	S	.	.	H	α-helix	trans	-76.9	-39.2	179.4	-63.3	0	0	0	0	112.3	V349 I666 D667 L668 K674	V349-S670 WeakPolarHBondContact CG2-OG 3.33Å; I666-S670 VanDerWaalsContact O-CB 3.31Å; I666-S670 WeakPolarHBondContact O-CB 3.48Å; I666-S670 PolarHBondContact O-N 3.08Å; I666-S670 PolarHBondContact O-OG 3.34Å; D667-S670 WeakPolarHBondContact O-CB 3.32Å; D667-S670 PolarHBondContact O-N 3.45Å; L668-S670 PolarHBondContact O-N 3.3Å; S670-K674 WeakPolarHBondContact O-CB 3.36Å; S670-K674 PolarHBondContact O-N 3.02Å
671	E	93.1	Very high	92.8	Very high	132 Å²	132	57.4 Å²	57.4	62%	0.617	28%	0.284	S	S	*	.	H	α-helix	trans	-63.8	-52.6	172.1	179.4	167	-155.6	0	0	111.4	D667 L668 K673 K674 R675	D667-E671 PolarHBondContact O-N 2.9Å; L668-E671 PolarHBondContact O-N 2.84Å; E671-K673 VanDerWaalsContact C-N 3.34Å; E671-K673 PolarHBondContact O-N 2.91Å; E671-K674 WeakPolarHBondContact O-CB 3.3Å; E671-K674 PolarHBondContact O-N 3.39Å; E671-K674 VanDerWaalsContact O-N 3.14Å; E671-R675 PolarHBondContact O-N 2.89Å
672	E	97.3	Very high	92.4	Very high	31 Å²	31	59.5 Å²	59.5	15%	0.145	30%	0.302	C	S	.	.	H	α-helix	trans	-61.6	-42.7	-178.2	-74.9	-68.9	88.8	0	0	111.4	P656 D657 L668 K674 R675 L676	P656-E672 HydrophobicContact CB-CB 4.41Å; P656-E672 HydrophobicContact CB-CG 4.16Å; P656-E672 WeakPolarHBondContact CB-OE2 3.16Å; P656-E672 HydrophobicContact CG-CB 4.42Å; P656-E672 HydrophobicContact CG-CG 4.47Å; P656-E672 WeakPolarHBondContact CG-OE2 3.21Å; D657-E672 HydrophobicContact CB-CB 3.97Å; L668-E672 HydrophobicContact CD1-CG 3.9Å; L668-E672 HydrophobicContact CG-CG 4.23Å; L668-E672 VanDerWaalsContact O-CB 3.28Å; L668-E672 WeakPolarHBondContact O-CB 3.35Å; L668-E672 WeakPolarHBondContact O-CG 3.34Å; L668-E672 PolarHBondContact O-N 3.4Å; E672-K674 VanDerWaalsContact C-N 3.31Å; E672-K674 PolarHBondContact O-N 3Å; E672-R675 WeakPolarHBondContact O-CB 3.32Å; E672-R675 PolarHBondContact O-N 2.75Å; E672-R675 VanDerWaalsContact O-N 3.13Å; E672-R675 IonicContact OE1-CZ 2.65Å; E672-R675 IonicContact OE1-NE 3.89Å; E672-R675 PolarHBondContact OE1-NE 3.07Å; E672-R675 IonicContact OE1-NH2 2.89Å; E672-R675 PolarHBondContact OE1-NH2 2.6Å; E672-R675 IonicContact OE2-CZ 3.25Å; E672-R675 IonicContact OE2-NE 2.76Å; E672-R675 IonicContact OE2-NH2 2.63Å; E672-R675 PolarHBondContact OE2-NH2 3.45Å; E672-L676 WeakPolarHBondContact O-CB 3.14Å; E672-L676 WeakPolarHBondContact O-CG 3.33Å; E672-L676 PolarHBondContact O-N 2.88Å
673	K	93.4	Very high	91.8	Very high	13 Å²	13	61 Å²	61	6%	0.057	31%	0.314	C	S	.	.	H	α-helix	trans	-59.2	-43	176.2	-178.7	175.2	177.9	-176.4	0	112	M347 V349 N352 F406 D657 A669 E671 E677	M347-K673 PolarHBondContact O-NZ 3.25Å; V349-K673 HydrophobicContact CG2-CB 4.41Å; V349-K673 HydrophobicContact CG2-CD 3.6Å; N352-K673 PolarHBondContact OD1-NZ 2.66Å; F406-K673 HydrophobicContact CD1-CD 4.44Å; F406-K673 HydrophobicContact CE1-CD 4.03Å; D657-K673 HydrophobicContact CB-CB 3.77Å; D657-K673 WeakPolarHBondContact OD2-CA 3.28Å; D657-K673 WeakPolarHBondContact OD2-CB 3.25Å; D657-K673 WeakPolarHBondContact OD2-CG 3.37Å; A669-K673 WeakPolarHBondContact O-CB 3.25Å; A669-K673 PolarHBondContact O-N 3.46Å; A669-K673 VanDerWaalsContact O-N 3.07Å; E671-K673 VanDerWaalsContact C-N 3.34Å; E671-K673 PolarHBondContact O-N 2.91Å; K673-E677 WeakPolarHBondContact O-CB 3.41Å; K673-E677 WeakPolarHBondContact O-CG 3.44Å; K673-E677 PolarHBondContact O-N 2.86Å
674	K	89.9	Confident	91.2	Very high	120 Å²	120	63.4 Å²	63.4	52%	0.522	32%	0.316	S	S	.	.	H	α-helix	trans	-61.8	-47.6	174.9	178.9	-170.6	169.1	-166.2	0	110.5	S670 E671 E672 L676 E677 E678	S670-K674 WeakPolarHBondContact O-CB 3.36Å; S670-K674 PolarHBondContact O-N 3.02Å; E671-K674 WeakPolarHBondContact O-CB 3.3Å; E671-K674 PolarHBondContact O-N 3.39Å; E671-K674 VanDerWaalsContact O-N 3.14Å; E672-K674 VanDerWaalsContact C-N 3.31Å; E672-K674 PolarHBondContact O-N 3Å; K674-L676 PolarHBondContact O-N 2.87Å; K674-E677 PolarHBondContact O-N 3.29Å; K674-E678 VanDerWaalsContact CE-OE1 3.26Å; K674-E678 WeakPolarHBondContact CE-OE1 3.4Å; K674-E678 WeakPolarHBondContact CG-OE1 3.23Å; K674-E678 VanDerWaalsContact O-CB 3.31Å; K674-E678 WeakPolarHBondContact O-CB 3.33Å; K674-E678 WeakPolarHBondContact O-CG 3.3Å; K674-E678 PolarHBondContact O-N 2.8Å
675	R	95.8	Very high	90.6	Very high	94 Å²	94	68.8 Å²	68.8	36%	0.355	33%	0.329	S	S	.	.	H	α-helix	trans	-59	-45.3	178.5	-170.4	-176.5	63.1	69	4.7	112	E671 E672 E678 K679 Y737	E671-R675 PolarHBondContact O-N 2.89Å; E672-R675 WeakPolarHBondContact O-CB 3.32Å; E672-R675 PolarHBondContact O-N 2.75Å; E672-R675 VanDerWaalsContact O-N 3.13Å; E672-R675 IonicContact OE1-CZ 2.65Å; E672-R675 IonicContact OE1-NE 3.89Å; E672-R675 PolarHBondContact OE1-NE 3.07Å; E672-R675 IonicContact OE1-NH2 2.89Å; E672-R675 PolarHBondContact OE1-NH2 2.6Å; E672-R675 IonicContact OE2-CZ 3.25Å; E672-R675 IonicContact OE2-NE 2.76Å; E672-R675 IonicContact OE2-NH2 2.63Å; E672-R675 PolarHBondContact OE2-NH2 3.45Å; R675-E678 PolarHBondContact O-N 2.98Å; R675-K679 WeakPolarHBondContact O-CB 3.34Å; R675-K679 PolarHBondContact O-N 2.96Å; R675-Y737 PolarHBondContact NH1-OXT 3.13Å; R675-Y737 PolarHBondContact NH2-OXT 2.81Å
676	L	95.1	Very high	89.8	Confident	0 Å²	0	70.4 Å²	70.4	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-63	-48.7	177.3	-70.1	178.2	0	0	0	112.3	L409 R655 P656 D657 E672 K674 E678 K679 Q680 Y737	L409-L676 HydrophobicContact CD1-CB 4.18Å; L409-L676 HydrophobicContact CD1-CD1 4.5Å; L409-L676 HydrophobicContact CD1-CD2 4.1Å; L409-L676 HydrophobicContact CD2-CB 4.45Å; R655-L676 HydrophobicContact CG-CD1 3.99Å; P656-L676 HydrophobicContact CG-CD1 4.2Å; P656-L676 HydrophobicContact CG-CD2 4.46Å; D657-L676 HydrophobicContact CB-CD1 4.17Å; D657-L676 WeakPolarHBondContact OD1-CD1 3.47Å; E672-L676 WeakPolarHBondContact O-CB 3.14Å; E672-L676 WeakPolarHBondContact O-CG 3.33Å; E672-L676 PolarHBondContact O-N 2.88Å; K674-L676 PolarHBondContact O-N 2.87Å; L676-E678 VanDerWaalsContact C-N 3.28Å; L676-E678 PolarHBondContact O-N 3.32Å; L676-K679 PolarHBondContact O-N 2.82Å; L676-Q680 WeakPolarHBondContact O-CB 3.28Å; L676-Q680 PolarHBondContact O-N 3.04Å; L676-Y737 VanDerWaalsContact CD2-CA 3.46Å; L676-Y737 HydrophobicContact CD2-CD1 4.02Å; L676-Y737 VanDerWaalsContact CD2-OXT 3.28Å; L676-Y737 WeakPolarHBondContact CD2-OXT 3.26Å
677	E	90.2	Very high	88.9	Confident	33 Å²	33	71.9 Å²	71.9	15%	0.154	34%	0.342	C	S	.	.	H	α-helix	trans	-64.6	-33.3	176.7	-73	-176.2	-173.9	0	0	112.1	T346 K673 K674 R681	T346-E677 WeakPolarHBondContact CG2-OE1 3.48Å; T346-E677 VanDerWaalsContact CG2-OE2 3.32Å; T346-E677 WeakPolarHBondContact CG2-OE2 3.4Å; T346-E677 PolarHBondContact OG1-OE2 3.34Å; K673-E677 WeakPolarHBondContact O-CB 3.41Å; K673-E677 WeakPolarHBondContact O-CG 3.44Å; K673-E677 PolarHBondContact O-N 2.86Å; K674-E677 PolarHBondContact O-N 3.29Å; E677-R681 VanDerWaalsContact CB-NH2 3.29Å; E677-R681 VanDerWaalsContact O-CB 3.29Å; E677-R681 WeakPolarHBondContact O-CB 3.31Å; E677-R681 WeakPolarHBondContact O-CG 3.41Å; E677-R681 PolarHBondContact O-N 3.25Å; E677-R681 PolarHBondContact O-NE 2.82Å; E677-R681 IonicContact OE2-NH2 2.68Å; E677-R681 PolarHBondContact OE2-NH2 2.85Å
678	E	90.6	Very high	87.7	Confident	85 Å²	85	69.9 Å²	69.9	40%	0.397	33%	0.334	S	S	.	.	H	α-helix	trans	-71.5	-42.3	175.2	-78.2	172.7	-171.2	0	0	112.4	K674 R675 L676 Q680 R681 A682	K674-E678 VanDerWaalsContact CE-OE1 3.26Å; K674-E678 WeakPolarHBondContact CE-OE1 3.4Å; K674-E678 WeakPolarHBondContact CG-OE1 3.23Å; K674-E678 VanDerWaalsContact O-CB 3.31Å; K674-E678 WeakPolarHBondContact O-CB 3.33Å; K674-E678 WeakPolarHBondContact O-CG 3.3Å; K674-E678 PolarHBondContact O-N 2.8Å; R675-E678 PolarHBondContact O-N 2.98Å; L676-E678 VanDerWaalsContact C-N 3.28Å; L676-E678 PolarHBondContact O-N 3.32Å; E678-Q680 VanDerWaalsContact C-N 3.32Å; E678-Q680 PolarHBondContact O-N 3.35Å; E678-R681 PolarHBondContact O-N 3.15Å; E678-R681 IonicContact OE1-NH1 3.24Å; E678-R681 PolarHBondContact OE1-NH1 3.09Å; E678-A682 WeakPolarHBondContact O-CB 3.26Å; E678-A682 PolarHBondContact O-N 3.49Å
679	K	91.6	Very high	86	Confident	64 Å²	64	74.8 Å²	74.8	28%	0.278	35%	0.353	S	S	.	.	H	α-helix	trans	-55.5	-47.6	170.3	-171.3	-179.7	-172.8	177.6	0	110.6	R675 L676 A682 A683 D735 Y737	R675-K679 WeakPolarHBondContact O-CB 3.34Å; R675-K679 PolarHBondContact O-N 2.96Å; L676-K679 PolarHBondContact O-N 2.82Å; K679-A682 PolarHBondContact O-N 3.14Å; K679-A683 VanDerWaalsContact O-CB 3.3Å; K679-A683 WeakPolarHBondContact O-CB 3.39Å; K679-A683 PolarHBondContact O-N 3.07Å; K679-D735 IonicContact NZ-OD1 3.32Å; K679-D735 PolarHBondContact NZ-OD1 3.25Å; K679-D735 IonicContact NZ-OD2 3.29Å; K679-D735 PolarHBondContact NZ-OD2 3.41Å; K679-Y737 WeakPolarHBondContact CD-O 3.33Å; K679-Y737 PolarHBondContact NZ-O 3.1Å
680	Q	88.6	Confident	84.1	Confident	34 Å²	34	77 Å²	77	16%	0.159	37%	0.368	C	S	.	.	H	α-helix	trans	-64.5	-45	176.3	175.1	167.6	-123.2	0	0	112.9	H432 L676 E678 A682 A683 R684	H432-Q680 PolarHBondContact CE1-NE2 2.97Å; H432-Q680 VanDerWaalsContact CE1-NE2 3.29Å; H432-Q680 PolarHBondContact NE2-NE2 3.13Å; L676-Q680 WeakPolarHBondContact O-CB 3.28Å; L676-Q680 PolarHBondContact O-N 3.04Å; E678-Q680 VanDerWaalsContact C-N 3.32Å; E678-Q680 PolarHBondContact O-N 3.35Å; Q680-A682 VanDerWaalsContact C-N 3.34Å; Q680-A682 PolarHBondContact O-N 3.16Å; Q680-A683 PolarHBondContact O-N 3.19Å; Q680-R684 PolarHBondContact O-N 2.91Å
681	R	86.9	Confident	82.2	Confident	108 Å²	108	78.7 Å²	78.7	41%	0.408	37%	0.373	S	S	.	.	H	α-helix	trans	-61	-41.8	177	-79.6	177.2	-106	144.6	-8.5	111.5	E677 E678 K685	E677-R681 VanDerWaalsContact CB-NH2 3.29Å; E677-R681 VanDerWaalsContact O-CB 3.29Å; E677-R681 WeakPolarHBondContact O-CB 3.31Å; E677-R681 WeakPolarHBondContact O-CG 3.41Å; E677-R681 PolarHBondContact O-N 3.25Å; E677-R681 PolarHBondContact O-NE 2.82Å; E677-R681 IonicContact OE2-NH2 2.68Å; E677-R681 PolarHBondContact OE2-NH2 2.85Å; E678-R681 PolarHBondContact O-N 3.15Å; E678-R681 IonicContact OE1-NH1 3.24Å; E678-R681 PolarHBondContact OE1-NH1 3.09Å; R681-K685 WeakPolarHBondContact O-CG 3.5Å; R681-K685 PolarHBondContact O-N 2.89Å; R681-K685 VanDerWaalsContact O-N 3.09Å
682	A	87.4	Confident	80	Confident	46 Å²	46	79.4 Å²	79.4	38%	0.38	38%	0.377	S	S	.	.	H	α-helix	trans	-67	-46.5	175.5	0	0	0	0	0	111.8	E678 K679 Q680 R684 K685 N686	E678-A682 WeakPolarHBondContact O-CB 3.26Å; E678-A682 PolarHBondContact O-N 3.49Å; K679-A682 PolarHBondContact O-N 3.14Å; Q680-A682 VanDerWaalsContact C-N 3.34Å; Q680-A682 PolarHBondContact O-N 3.16Å; A682-R684 VanDerWaalsContact C-N 3.32Å; A682-R684 PolarHBondContact O-N 3.41Å; A682-K685 PolarHBondContact O-N 2.9Å; A682-N686 PolarHBondContact O-N 3.04Å
683	A	84.9	Confident	77.5	Confident	31 Å²	31	82.4 Å²	82.4	26%	0.256	39%	0.391	S	S	.	.	H	α-helix	trans	-57.4	-43.8	175.6	0	0	0	0	0	111.8	K679 Q680 N686 R687	K679-A683 VanDerWaalsContact O-CB 3.3Å; K679-A683 WeakPolarHBondContact O-CB 3.39Å; K679-A683 PolarHBondContact O-N 3.07Å; Q680-A683 PolarHBondContact O-N 3.19Å; A683-N686 PolarHBondContact O-N 3.3Å; A683-R687 WeakPolarHBondContact O-CG 3.38Å; A683-R687 PolarHBondContact O-N 3.19Å
684	R	83	Confident	75.3	Confident	139 Å²	139	84.8 Å²	84.8	53%	0.525	40%	0.399	S	S	.	.	H	α-helix	trans	-60.4	-49.1	174.4	-175.1	179.4	173.3	-150.5	-10.4	111.9	H433 Q680 A682 N686 R687 T688	H433-R684 VanDerWaalsContact CD2-CZ 3.41Å; H433-R684 PolarHBondContact CD2-NH1 2.64Å; H433-R684 PolarHBondContact NE2-NH1 3.21Å; Q680-R684 PolarHBondContact O-N 2.91Å; A682-R684 VanDerWaalsContact C-N 3.32Å; A682-R684 PolarHBondContact O-N 3.41Å; R684-N686 PolarHBondContact O-N 3.17Å; R684-R687 PolarHBondContact O-N 3.25Å; R684-T688 PolarHBondContact O-N 2.91Å; R684-T688 PolarHBondContact O-OG1 3.39Å
685	K	82	Confident	73	Confident	150 Å²	150	85.6 Å²	85.6	65%	0.652	40%	0.403	S	S	*	.	H	α-helix	trans	-58.7	-34	178.2	-76.9	179	177.8	-177.7	0	113	R681 A682	R681-K685 WeakPolarHBondContact O-CG 3.5Å; R681-K685 PolarHBondContact O-N 2.89Å; R681-K685 VanDerWaalsContact O-N 3.09Å; A682-K685 PolarHBondContact O-N 2.9Å
686	N	77.4	Confident	70.4	Confident	105 Å²	105	85.5 Å²	85.5	56%	0.561	41%	0.413	S	S	*	.	H	α-helix	trans	-74.1	-40.4	176.9	-69.5	-12.3	0	0	0	111.9	A682 A683 R684 T688 K689	A682-N686 PolarHBondContact O-N 3.04Å; A683-N686 PolarHBondContact O-N 3.3Å; R684-N686 PolarHBondContact O-N 3.17Å; N686-T688 PolarHBondContact O-N 3.41Å; N686-K689 PolarHBondContact O-N 3.11Å; N686-K689 VanDerWaalsContact O-N 3.14Å
687	R	71.6	Confident	68.2	Low	63 Å²	63	91.8 Å²	91.8	24%	0.238	44%	0.437	C	S	.	.	H	α-helix	trans	-59.9	-44.8	177.4	-66.4	165.6	-163.4	-166.8	4.2	112.4	A683 R684 K689 S690 W694	A683-R687 WeakPolarHBondContact O-CG 3.38Å; A683-R687 PolarHBondContact O-N 3.19Å; R684-R687 PolarHBondContact O-N 3.25Å; R687-K689 PolarHBondContact O-N 3.35Å; R687-K689 VanDerWaalsContact O-N 3.14Å; R687-S690 CarbonylContact O-C 3.53Å; R687-S690 PolarHBondContact O-N 3.17Å; R687-S690 PolarHBondContact O-OG 3.39Å; R687-W694 HydrophobicContact CB-CE3 4.25Å; R687-W694 HydrophobicContact CG-CD2 4.2Å; R687-W694 HydrophobicContact CG-CE3 3.55Å; R687-W694 HydrophobicContact CG-CH2 4.23Å; R687-W694 HydrophobicContact CG-CZ3 3.57Å
688	T	62.6	Low	65.8	Low	94 Å²	94	95.9 Å²	95.9	58%	0.577	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-13.5	178.6	-52.2	0	0	0	0	113.6	R684 N686	R684-T688 PolarHBondContact O-N 2.91Å; R684-T688 PolarHBondContact O-OG1 3.39Å; N686-T688 PolarHBondContact O-N 3.41Å
689	K	59.4	Low	63.9	Low	179 Å²	179	94.6 Å²	94.6	78%	0.778	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-6.2	171.7	-68.3	178.8	177.2	-175.6	0	113.6	N686 R687	N686-K689 PolarHBondContact O-N 3.11Å; N686-K689 VanDerWaalsContact O-N 3.14Å; R687-K689 PolarHBondContact O-N 3.35Å; R687-K689 VanDerWaalsContact O-N 3.14Å
690	S	54.9	Low	62	Low	47 Å²	47	95.2 Å²	95.2	33%	0.329	48%	0.479	S	S	.	.			trans	-134.2	48.1	-176.9	68.7	0	0	0	0	111.3	R687 E692 E693 W694	R687-S690 CarbonylContact O-C 3.53Å; R687-S690 PolarHBondContact O-N 3.17Å; R687-S690 PolarHBondContact O-OG 3.39Å; S690-E692 PolarHBondContact O-N 2.87Å; S690-E692 VanDerWaalsContact O-N 3.12Å; S690-E693 PolarHBondContact O-N 2.99Å; S690-E693 VanDerWaalsContact O-N 3.07Å; S690-W694 PolarHBondContact O-N 2.95Å
691	D	50.7	Low	60.4	Low	84 Å²	84	96.4 Å²	96.4	45%	0.449	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-19.1	-163.5	-140.8	61.2	0	0	0	114.8	K695	D691-K695 PolarHBondContact O-NZ 3.47Å; D691-K695 IonicContact OD2-NZ 2.7Å; D691-K695 PolarHBondContact OD2-NZ 2.82Å
692	E	45.9	Very low	59.4	Low	148 Å²	148	92.7 Å²	92.7	69%	0.692	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-47	170.3	-75	-63.7	130.7	0	0	112.7	S690 W694 K695 T696	S690-E692 PolarHBondContact O-N 2.87Å; S690-E692 VanDerWaalsContact O-N 3.12Å; E692-W694 VanDerWaalsContact C-N 3.31Å; E692-W694 PolarHBondContact O-N 3.4Å; E692-K695 PolarHBondContact O-N 3.03Å; E692-T696 WeakPolarHBondContact O-CB 3.4Å; E692-T696 WeakPolarHBondContact O-CG2 3.31Å; E692-T696 PolarHBondContact O-N 2.93Å; E692-T696 PolarHBondContact O-OG1 2.89Å
693	E	45.1	Very low	59.1	Low	94 Å²	94	92.5 Å²	92.5	44%	0.439	48%	0.476	S	S	.	.	H	α-helix	trans	-64.1	-35.4	-177.7	-80	-154.6	-179.6	0	0	112.5	S690 K695 T696 R697	S690-E693 PolarHBondContact O-N 2.99Å; S690-E693 VanDerWaalsContact O-N 3.07Å; E693-K695 VanDerWaalsContact C-N 3.27Å; E693-K695 PolarHBondContact O-N 2.68Å; E693-T696 WeakPolarHBondContact CA-OG1 3.29Å; E693-T696 PolarHBondContact O-N 3.36Å; E693-R697 WeakPolarHBondContact O-CB 3.44Å; E693-R697 VanDerWaalsContact O-CG 3.3Å; E693-R697 WeakPolarHBondContact O-CG 3.49Å; E693-R697 PolarHBondContact O-N 2.93Å; E693-R697 IonicContact OE2-CZ 2.77Å; E693-R697 IonicContact OE2-NE 2.78Å; E693-R697 PolarHBondContact OE2-NE 3.2Å; E693-R697 IonicContact OE2-NH2 3.76Å; E693-R697 PolarHBondContact OE2-NH2 3.43Å
694	W	46.8	Very low	59.3	Low	63 Å²	63	93.2 Å²	93.2	24%	0.239	47%	0.472	C	S	.	.	H	α-helix	trans	-61.9	-35.2	-175.8	-177.2	-98.5	0	0	0	113	R687 S690 E692 L701	R687-W694 HydrophobicContact CB-CE3 4.25Å; R687-W694 HydrophobicContact CG-CD2 4.2Å; R687-W694 HydrophobicContact CG-CE3 3.55Å; R687-W694 HydrophobicContact CG-CH2 4.23Å; R687-W694 HydrophobicContact CG-CZ3 3.57Å; S690-W694 PolarHBondContact O-N 2.95Å; E692-W694 VanDerWaalsContact C-N 3.31Å; E692-W694 PolarHBondContact O-N 3.4Å; W694-L701 HydrophobicContact CD2-CB 4.19Å; W694-L701 HydrophobicContact CE3-CB 3.72Å; W694-L701 HydrophobicContact CE3-CD1 3.91Å; W694-L701 HydrophobicContact CE3-CG 4.48Å; W694-L701 HydrophobicContact CH2-CB 3.36Å; W694-L701 WeakPolarHBondContact CH2-O 3.39Å; W694-L701 HydrophobicContact CZ2-CB 3.88Å; W694-L701 WeakPolarHBondContact CZ2-O 3.25Å; W694-L701 HydrophobicContact CZ3-CB 3.29Å; W694-L701 HydrophobicContact CZ3-CD1 3.77Å; W694-L701 HydrophobicContact CZ3-CG 4.11Å
695	K	42.4	Very low	59.8	Low	136 Å²	136	87.9 Å²	87.9	59%	0.591	45%	0.452	S	S	*	.	H	α-helix	trans	-90	-20.8	-179.6	-62	169.5	-166.8	128	0	112.9	D691 E692 E693	D691-K695 PolarHBondContact O-NZ 3.47Å; D691-K695 IonicContact OD2-NZ 2.7Å; D691-K695 PolarHBondContact OD2-NZ 2.82Å; E692-K695 PolarHBondContact O-N 3.03Å; E693-K695 VanDerWaalsContact C-N 3.27Å; E693-K695 PolarHBondContact O-N 2.68Å
696	T	41	Very low	60.5	Low	93 Å²	93	81 Å²	81	57%	0.571	42%	0.422	S	S	*	.	H	α-helix	trans	-107.1	-17.9	-171.9	57	0	0	0	0	114.8	E692 E693 S698	E692-T696 WeakPolarHBondContact O-CB 3.4Å; E692-T696 WeakPolarHBondContact O-CG2 3.31Å; E692-T696 PolarHBondContact O-N 2.93Å; E692-T696 PolarHBondContact O-OG1 2.89Å; E693-T696 WeakPolarHBondContact CA-OG1 3.29Å; E693-T696 PolarHBondContact O-N 3.36Å; T696-S698 PolarHBondContact O-N 3.43Å
697	R	49.9	Very low	61.3	Low	131 Å²	131	81.4 Å²	81.4	49%	0.494	42%	0.421	S	S	.	.	S	Bend	trans	-58.8	134.4	171.1	-82.5	177.4	179.8	-143	1.5	110.5	E693 P699 P700	E693-R697 WeakPolarHBondContact O-CB 3.44Å; E693-R697 VanDerWaalsContact O-CG 3.3Å; E693-R697 WeakPolarHBondContact O-CG 3.49Å; E693-R697 PolarHBondContact O-N 2.93Å; E693-R697 IonicContact OE2-CZ 2.77Å; E693-R697 IonicContact OE2-NE 2.78Å; E693-R697 PolarHBondContact OE2-NE 3.2Å; E693-R697 IonicContact OE2-NH2 3.76Å; E693-R697 PolarHBondContact OE2-NH2 3.43Å; R697-P699 CarbonylContact O-C 3.37Å; R697-P699 VanDerWaalsContact O-C 3.3Å; R697-P700 WeakPolarHBondContact O-CA 3.33Å
698	S	40.1	Very low	62.3	Low	119 Å²	119	84.6 Å²	84.6	83%	0.832	44%	0.438	S	S	*	.	S	Bend	trans	-105.9	126.3	170.4	-74.1	0	0	0	0	109.8	T696	T696-S698 PolarHBondContact O-N 3.43Å
699	P	50	Low	63.8	Low	59 Å²	59	80.5 Å²	80.5	38%	0.383	42%	0.415	S	S	.	.	S	Bend	cis	-75.8	139.9	-7.5	31.5	-33	0	0	0	112.1	R697 L701 R704	R697-P699 CarbonylContact O-C 3.37Å; R697-P699 VanDerWaalsContact O-C 3.3Å; P699-L701 PolarHBondContact O-N 2.9Å; P699-R704 PolarHBondContact O-NH1 2.99Å
700	P	50.5	Low	65.5	Low	77 Å²	77	75.7 Å²	75.7	50%	0.5	40%	0.402	S	S	.	.			trans	-60.7	134.4	-172.5	24.4	-34.9	0	0	0	112.1	R697 G702 R704	R697-P700 WeakPolarHBondContact O-CA 3.33Å; P700-G702 PolarHBondContact O-N 3.03Å; P700-R704 PolarHBondContact O-NH1 2.9Å
701	L	55.8	Low	67.3	Low	59 Å²	59	73.5 Å²	73.5	31%	0.309	39%	0.386	S	S	.	.	S	Bend	trans	-76.2	14.7	-171.6	-70.4	159	0	0	0	114.2	W694 P699	W694-L701 HydrophobicContact CD2-CB 4.19Å; W694-L701 HydrophobicContact CE3-CB 3.72Å; W694-L701 HydrophobicContact CE3-CD1 3.91Å; W694-L701 HydrophobicContact CE3-CG 4.48Å; W694-L701 HydrophobicContact CH2-CB 3.36Å; W694-L701 WeakPolarHBondContact CH2-O 3.39Å; W694-L701 HydrophobicContact CZ2-CB 3.88Å; W694-L701 WeakPolarHBondContact CZ2-O 3.25Å; W694-L701 HydrophobicContact CZ3-CB 3.29Å; W694-L701 HydrophobicContact CZ3-CD1 3.77Å; W694-L701 HydrophobicContact CZ3-CG 4.11Å; P699-L701 PolarHBondContact O-N 2.9Å
702	G	65.8	Low	69.4	Low	30 Å²	30	72.1 Å²	72.1	31%	0.309	38%	0.382	S	S	.	.	S	Bend	trans	-67.7	-172.3	165.2	0	0	0	0	0	112.4	P700 R704	P700-G702 PolarHBondContact O-N 3.03Å; G702-R704 PolarHBondContact O-N 2.83Å
703	P	81.4	Confident	71.8	Confident	41 Å²	41	68 Å²	68	27%	0.266	36%	0.363	S	S	.	.			trans	-52.9	138.2	174.8	19.8	-30.5	0	0	0	111.6	E428 V430 W719	E428-P703 VanDerWaalsContact OE1-CA 3.23Å; E428-P703 WeakPolarHBondContact OE1-CA 3.19Å; V430-P703 HydrophobicContact CB-CB 4.02Å; V430-P703 HydrophobicContact CB-CG 4.12Å; V430-P703 HydrophobicContact CG1-CB 3.82Å; V430-P703 HydrophobicContact CG1-CG 4.32Å; P703-W719 HydrophobicContact CB-CZ3 4.46Å; P703-W719 HydrophobicContact CG-CE3 4.33Å; P703-W719 HydrophobicContact CG-CH2 3.76Å; P703-W719 HydrophobicContact CG-CZ3 3.39Å
704	R	88.8	Confident	74.2	Confident	46 Å²	46	66 Å²	66	17%	0.174	36%	0.357	C	S	.	.	S	Bend	trans	-87.9	-32.1	-171	-67.9	-55.4	-152.3	-166	8.6	112.5	E428 P699 P700 G702 Q732	E428-R704 PolarHBondContact OE1-N 3.48Å; E428-R704 PolarHBondContact OE2-N 2.97Å; P699-R704 PolarHBondContact O-NH1 2.99Å; P700-R704 PolarHBondContact O-NH1 2.9Å; G702-R704 PolarHBondContact O-N 2.83Å; R704-Q732 PolarHBondContact NH2-O 3.44Å
705	W	94.3	Very high	76.4	Confident	28 Å²	28	71.5 Å²	71.5	11%	0.106	38%	0.378	C	S	.	.	S	Bend	trans	-113.3	-11.9	-167.2	-48	115.2	0	0	0	113.2	E428 F721 S722 Y725 Y730 L733	E428-W705 WeakPolarHBondContact OE2-CB 3.35Å; E428-W705 PolarHBondContact OE2-N 3.2Å; W705-F721 HydrophobicContact CB-CE2 4.34Å; W705-F721 WeakPolarHBondContact O-CD2 3.06Å; W705-S722 WeakPolarHBondContact O-CB 3.46Å; W705-S722 PolarHBondContact O-N 2.9Å; W705-S722 PolarHBondContact O-OG 2.8Å; W705-Y725 AromaticContact CD1-CD2 3.99Å; W705-Y725 AromaticContact CD2-CD2 3.65Å; W705-Y725 HydrophobicContact CD2-CD2 3.65Å; W705-Y725 HydrophobicContact CD2-CG 4.34Å; W705-Y725 AromaticContact CE2-CD2 3.52Å; W705-Y725 HydrophobicContact CE3-CD2 4.16Å; W705-Y725 AromaticContact CG-CD2 3.94Å; W705-Y725 HydrophobicContact CG-CD2 3.94Å; W705-Y725 HydrophobicContact CH2-CD2 4.36Å; W705-Y725 AromaticContact CZ2-CD2 3.89Å; W705-Y725 HydrophobicContact CZ2-CD2 3.89Å; W705-Y725 HydrophobicContact CZ2-CE2 4.47Å; W705-Y725 HydrophobicContact CZ3-CD2 4.5Å; W705-Y725 AromaticContact NE1-CD2 3.73Å; W705-Y730 AromaticContact CH2-CD1 3.82Å; W705-Y730 HydrophobicContact CH2-CD1 3.82Å; W705-Y730 AromaticContact CH2-CE1 3.84Å; W705-Y730 HydrophobicContact CH2-CE1 3.84Å; W705-Y730 AromaticContact CZ2-CD1 3.75Å; W705-Y730 HydrophobicContact CZ2-CD1 3.75Å; W705-Y730 AromaticContact CZ2-CE1 3.77Å; W705-Y730 HydrophobicContact CZ2-CE1 3.77Å; W705-L733 HydrophobicContact CZ2-CD2 3.8Å
706	F	95.6	Very high	78.8	Confident	4 Å²	4	66.7 Å²	66.7	2%	0.018	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	141.1	178.8	-65.1	-99.8	0	0	0	111.9	E428 V430 A438 H440 W719 L720 F721	E428-F706 HydrophobicContact CB-CD2 3.65Å; E428-F706 HydrophobicContact CB-CE2 3.8Å; E428-F706 PolarHBondContact OE2-N 2.87Å; V430-F706 HydrophobicContact CG1-CB 3.72Å; V430-F706 HydrophobicContact CG1-CD2 4.28Å; V430-F706 HydrophobicContact CG1-CG 4.2Å; A438-F706 HydrophobicContact CB-CB 4.2Å; A438-F706 HydrophobicContact CB-CD1 3.5Å; A438-F706 HydrophobicContact CB-CD2 4.09Å; A438-F706 HydrophobicContact CB-CE1 3.78Å; A438-F706 HydrophobicContact CB-CE2 4.36Å; A438-F706 HydrophobicContact CB-CG 3.68Å; A438-F706 HydrophobicContact CB-CZ 4.21Å; H440-F706 HydrophobicContact CB-CE1 3.85Å; H440-F706 HydrophobicContact CB-CZ 3.94Å; F706-W719 HydrophobicContact CB-CB 4.36Å; F706-W719 HydrophobicContact CB-CE3 4.25Å; F706-L720 CarbonylContact C-O 3.48Å; F706-L720 VanDerWaalsContact CA-O 3.32Å; F706-L720 WeakPolarHBondContact CA-O 3.37Å; F706-F721 HydrophobicContact CD1-CB 4.22Å; F706-F721 HydrophobicContact CE1-CB 4Å; F706-F721 HydrophobicContact CE1-CD2 4.42Å; F706-F721 HydrophobicContact CE2-CD2 4.41Å; F706-F721 HydrophobicContact CZ-CD2 4.23Å
707	Q	94.2	Very high	81.3	Confident	115 Å²	115	69.2 Å²	69.2	54%	0.537	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	148.3	177.7	59.2	-178	-20.9	0	0	111	L720	Q707-L720 PolarHBondContact N-O 3.33Å; Q707-L720 PolarHBondContact O-N 3.26Å
708	Q	93.5	Very high	83.4	Confident	129 Å²	129	63.2 Å²	63.2	60%	0.603	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.7	133.1	173.8	-67.3	-171.1	-19.6	0	0	110.5	D718 W719	Q708-D718 WeakPolarHBondContact CA-O 3.42Å; Q708-W719 HydrophobicContact CG-CD2 3.87Å; Q708-W719 HydrophobicContact CG-CE3 3.73Å; Q708-W719 HydrophobicContact CG-CH2 3.51Å; Q708-W719 HydrophobicContact CG-CZ2 3.64Å; Q708-W719 HydrophobicContact CG-CZ3 3.53Å
709	G	93.1	Very high	86	Confident	9 Å²	9	59.2 Å²	59.2	9%	0.093	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	163	177.1	0	0	0	0	0	113	N711 D718	G709-N711 PolarHBondContact O-N 3.49Å; G709-D718 PolarHBondContact N-O 2.75Å; G709-D718 PolarHBondContact O-N 3.31Å
710	P	95.3	Very high	88.2	Confident	78 Å²	78	58.4 Å²	58.4	51%	0.506	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	121.6	173.6	29.7	-32.4	0	0	0	109.9	S716	P710-S716 CarbonylContact C-O 3.46Å; P710-S716 WeakPolarHBondContact CA-O 3.33Å
711	N	94.4	Very high	90.5	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.288	C	S	.	.			trans	-50.2	130.8	172.6	-179.6	-67.7	0	0	0	109.9	T474 G709 H713 T714 R715 S716 D718	T474-N711 PolarHBondContact OG1-ND2 3.48Å; G709-N711 PolarHBondContact O-N 3.49Å; N711-H713 PolarHBondContact O-N 3.06Å; N711-H713 VanDerWaalsContact O-N 3.11Å; N711-H713 PolarHBondContact OD1-N 3.32Å; N711-T714 VanDerWaalsContact CB-OG1 3.31Å; N711-T714 WeakPolarHBondContact CB-OG1 3.35Å; N711-T714 VanDerWaalsContact CG-OG1 3.29Å; N711-T714 PolarHBondContact OD1-N 2.9Å; N711-T714 PolarHBondContact OD1-OG1 2.84Å; N711-R715 WeakPolarHBondContact O-CA 2.94Å; N711-R715 PolarHBondContact O-N 2.88Å; N711-S716 PolarHBondContact N-O 3.48Å; N711-D718 HydrophobicContact CB-CB 4.02Å; N711-D718 PolarHBondContact ND2-OD2 2.85Å
712	P	94	Very high	92.3	Very high	55 Å²	55	56.9 Å²	56.9	36%	0.357	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-23.5	-169.1	21.4	-31.7	0	0	0	113.9
713	H	95.8	Very high	93.6	Very high	63 Å²	63	56.7 Å²	56.7	29%	0.292	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-46.3	-175.3	-55.7	-62.3	0	0	0	112.9	E476 A483 H514 N711	E476-H713 IonicContact OE1-NE2 3.33Å; A483-H713 WeakPolarHBondContact CB-CE1 3.32Å; A483-H713 WeakPolarHBondContact CB-NE2 3.18Å; H514-H713 HydrophobicContact CB-CB 4.41Å; N711-H713 PolarHBondContact O-N 3.06Å; N711-H713 VanDerWaalsContact O-N 3.11Å; N711-H713 PolarHBondContact OD1-N 3.32Å
714	T	94.8	Very high	94.2	Very high	51 Å²	51	56.5 Å²	56.5	31%	0.313	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-17.4	-176.4	56	0	0	0	0	114.3	I472 T485 N711 S716	I472-T714 HydrophobicContact CD1-CG2 4.34Å; I472-T714 HydrophobicContact CG2-CG2 4.46Å; T485-T714 HydrophobicContact CG2-CG2 4.07Å; N711-T714 VanDerWaalsContact CB-OG1 3.31Å; N711-T714 WeakPolarHBondContact CB-OG1 3.35Å; N711-T714 VanDerWaalsContact CG-OG1 3.29Å; N711-T714 PolarHBondContact OD1-N 2.9Å; N711-T714 PolarHBondContact OD1-OG1 2.84Å; T714-S716 PolarHBondContact O-N 3.06Å; T714-S716 VanDerWaalsContact O-N 3.17Å; T714-S716 PolarHBondContact OG1-OG 3.39Å
715	R	94	Very high	94.5	Very high	179 Å²	179	54.3 Å²	54.3	68%	0.675	29%	0.289	S	S	*	.			trans	61.1	8.9	-172	-50.3	-56.7	-174.5	-178.8	-1.6	115.6	N711	N711-R715 WeakPolarHBondContact O-CA 2.94Å; N711-R715 PolarHBondContact O-N 2.88Å
716	S	93.1	Very high	94.5	Very high	35 Å²	35	54.7 Å²	54.7	25%	0.245	29%	0.29	C	S	.	.			trans	-66.2	155.1	168.3	54.1	0	0	0	0	111.1	I472 P710 N711 T714	I472-S716 WeakPolarHBondContact CD1-OG 3.45Å; P710-S716 CarbonylContact C-O 3.46Å; P710-S716 WeakPolarHBondContact CA-O 3.33Å; N711-S716 PolarHBondContact N-O 3.48Å; T714-S716 PolarHBondContact O-N 3.06Å; T714-S716 VanDerWaalsContact O-N 3.17Å; T714-S716 PolarHBondContact OG1-OG 3.39Å
717	Q	92.5	Very high	94.5	Very high	146 Å²	146	60 Å²	60	68%	0.682	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.5	139.6	163.6	-75	-70.5	0.3	0	0	110.1
718	D	94.4	Very high	94.5	Very high	5 Å²	5	58.3 Å²	58.3	3%	0.027	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	172.7	-177.3	-150.5	-15.1	0	0	0	109.9	S453 Q708 G709 N711 L720	S453-D718 PolarHBondContact OG-OD1 3.33Å; Q708-D718 WeakPolarHBondContact CA-O 3.42Å; G709-D718 PolarHBondContact N-O 2.75Å; G709-D718 PolarHBondContact O-N 3.31Å; N711-D718 HydrophobicContact CB-CB 4.02Å; N711-D718 PolarHBondContact ND2-OD2 2.85Å; D718-L720 HydrophobicContact CB-CD2 4.46Å
719	W	95.9	Very high	94.3	Very high	35 Å²	35	56.8 Å²	56.8	13%	0.133	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	106.6	174.8	-71	92.9	0	0	0	110.4	V430 A438 P703 F706 Q708	V430-W719 HydrophobicContact CB-CD2 3.89Å; V430-W719 HydrophobicContact CB-CE3 3.94Å; V430-W719 HydrophobicContact CB-CG 4.49Å; V430-W719 HydrophobicContact CB-CH2 4.03Å; V430-W719 HydrophobicContact CB-CZ2 3.98Å; V430-W719 HydrophobicContact CB-CZ3 4.03Å; V430-W719 HydrophobicContact CG1-CD2 4.22Å; V430-W719 HydrophobicContact CG1-CE3 4.07Å; V430-W719 HydrophobicContact CG1-CZ3 4.45Å; V430-W719 HydrophobicContact CG2-CD2 3.6Å; V430-W719 VanDerWaalsContact CG2-CE2 3.43Å; V430-W719 HydrophobicContact CG2-CE3 4.19Å; V430-W719 HydrophobicContact CG2-CG 3.82Å; V430-W719 HydrophobicContact CG2-CH2 4.4Å; V430-W719 HydrophobicContact CG2-CZ2 3.85Å; A438-W719 HydrophobicContact CB-CB 3.67Å; A438-W719 HydrophobicContact CB-CG 4.32Å; P703-W719 HydrophobicContact CB-CZ3 4.46Å; P703-W719 HydrophobicContact CG-CE3 4.33Å; P703-W719 HydrophobicContact CG-CH2 3.76Å; P703-W719 HydrophobicContact CG-CZ3 3.39Å; F706-W719 HydrophobicContact CB-CB 4.36Å; F706-W719 HydrophobicContact CB-CE3 4.25Å; Q708-W719 HydrophobicContact CG-CD2 3.87Å; Q708-W719 HydrophobicContact CG-CE3 3.73Å; Q708-W719 HydrophobicContact CG-CH2 3.51Å; Q708-W719 HydrophobicContact CG-CZ2 3.64Å; Q708-W719 HydrophobicContact CG-CZ3 3.53Å
720	L	96.1	Very high	94	Very high	42 Å²	42	58.9 Å²	58.9	22%	0.22	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	136.1	-175.3	-55	179.5	0	0	0	110.2	F706 Q707 D718	F706-L720 CarbonylContact C-O 3.48Å; F706-L720 VanDerWaalsContact CA-O 3.32Å; F706-L720 WeakPolarHBondContact CA-O 3.37Å; Q707-L720 PolarHBondContact N-O 3.33Å; Q707-L720 PolarHBondContact O-N 3.26Å; D718-L720 HydrophobicContact CB-CD2 4.46Å
721	F	97.3	Very high	93.3	Very high	43 Å²	43	59.4 Å²	59.4	19%	0.189	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	135.5	176.7	179.5	-125.2	0	0	0	111.5	I426 H440 W705 F706	I426-F721 HydrophobicContact CG2-CD2 4.12Å; I426-F721 HydrophobicContact CG2-CE2 3.67Å; I426-F721 HydrophobicContact CG2-CZ 4Å; H440-F721 HydrophobicContact CB-CB 3.73Å; H440-F721 HydrophobicContact CB-CD1 4.4Å; H440-F721 HydrophobicContact CB-CD2 4.42Å; H440-F721 HydrophobicContact CB-CG 3.97Å; H440-F721 AromaticContact CD2-CD1 3.39Å; H440-F721 WeakPolarHBondContact CD2-CD1 3.34Å; H440-F721 AromaticContact CD2-CE1 3.91Å; H440-F721 AromaticContact CD2-CG 3.86Å; H440-F721 AromaticContact CE1-CD1 3.94Å; H440-F721 AromaticContact CG-CD1 3.75Å; H440-F721 AromaticContact CG-CG 3.75Å; H440-F721 AromaticContact NE2-CD1 3.54Å; W705-F721 HydrophobicContact CB-CE2 4.34Å; W705-F721 WeakPolarHBondContact O-CD2 3.06Å; F706-F721 HydrophobicContact CD1-CB 4.22Å; F706-F721 HydrophobicContact CE1-CB 4Å; F706-F721 HydrophobicContact CE1-CD2 4.42Å; F706-F721 HydrophobicContact CE2-CD2 4.41Å; F706-F721 HydrophobicContact CZ-CD2 4.23Å
722	S	94.6	Very high	92.4	Very high	60 Å²	60	65.7 Å²	65.7	42%	0.42	35%	0.351	S	S	.	.			trans	-94.1	-6.3	-174.1	-59.5	0	0	0	0	113.9	W705	W705-S722 WeakPolarHBondContact O-CB 3.46Å; W705-S722 PolarHBondContact O-N 2.9Å; W705-S722 PolarHBondContact O-OG 2.8Å
723	G	93.4	Very high	91.9	Very high	27 Å²	27	64.4 Å²	64.4	28%	0.278	34%	0.341	S	S	.	.	S	Bend	trans	79.6	-163.1	-170.6	0	0	0	0	0	113	Y725	G723-Y725 PolarHBondContact O-N 2.7Å
724	G	92.5	Very high	91.2	Very high	36 Å²	36	62.9 Å²	62.9	37%	0.371	34%	0.337	S	S	.	.			trans	73.2	-27.9	173.3	0	0	0	0	0	116.7	W726 D727	G724-W726 VanDerWaalsContact C-N 3.34Å; G724-W726 PolarHBondContact O-N 3.23Å; G724-D727 WeakPolarHBondContact CA-OD2 3.49Å; G724-D727 WeakPolarHBondContact O-CB 3.27Å; G724-D727 PolarHBondContact O-N 3.38Å; G724-D727 VanDerWaalsContact O-N 3.1Å
725	Y	95.4	Very high	91	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-57.3	-44	-175	-179.6	-98.5	0	0	0	113.6	E415 I426 P648 W705 G723 D727 Y730	E415-Y725 HydrophobicContact CB-CE1 3.97Å; E415-Y725 VanDerWaalsContact OE2-CE1 3.24Å; E415-Y725 WeakPolarHBondContact OE2-CE1 3.13Å; E415-Y725 PolarHBondContact OE2-OH 3.05Å; I426-Y725 HydrophobicContact CB-CD1 3.88Å; I426-Y725 HydrophobicContact CB-CE1 4.09Å; I426-Y725 HydrophobicContact CB-CG 4.36Å; I426-Y725 HydrophobicContact CD1-CD1 3.87Å; I426-Y725 HydrophobicContact CD1-CD2 3.85Å; I426-Y725 HydrophobicContact CD1-CE1 3.48Å; I426-Y725 VanDerWaalsContact CD1-CE1 3.48Å; I426-Y725 HydrophobicContact CD1-CE2 3.46Å; I426-Y725 VanDerWaalsContact CD1-CE2 3.46Å; I426-Y725 HydrophobicContact CD1-CG 4.04Å; I426-Y725 HydrophobicContact CG1-CD1 3.68Å; I426-Y725 HydrophobicContact CG1-CD2 3.95Å; I426-Y725 HydrophobicContact CG1-CE1 3.84Å; I426-Y725 HydrophobicContact CG1-CE2 4.1Å; I426-Y725 HydrophobicContact CG1-CG 3.75Å; I426-Y725 HydrophobicContact CG2-CD1 4.42Å; P648-Y725 VanDerWaalsContact CD-OH 3.29Å; P648-Y725 WeakPolarHBondContact CD-OH 3.22Å; P648-Y725 HydrophobicContact CG-CE2 3.98Å; P648-Y725 WeakPolarHBondContact CG-OH 3.39Å; W705-Y725 AromaticContact CD1-CD2 3.99Å; W705-Y725 AromaticContact CD2-CD2 3.65Å; W705-Y725 HydrophobicContact CD2-CD2 3.65Å; W705-Y725 HydrophobicContact CD2-CG 4.34Å; W705-Y725 AromaticContact CE2-CD2 3.52Å; W705-Y725 HydrophobicContact CE3-CD2 4.16Å; W705-Y725 AromaticContact CG-CD2 3.94Å; W705-Y725 HydrophobicContact CG-CD2 3.94Å; W705-Y725 HydrophobicContact CH2-CD2 4.36Å; W705-Y725 AromaticContact CZ2-CD2 3.89Å; W705-Y725 HydrophobicContact CZ2-CD2 3.89Å; W705-Y725 HydrophobicContact CZ2-CE2 4.47Å; W705-Y725 HydrophobicContact CZ3-CD2 4.5Å; W705-Y725 AromaticContact NE1-CD2 3.73Å; G723-Y725 PolarHBondContact O-N 2.7Å; Y725-D727 PolarHBondContact O-N 3.19Å; Y725-Y730 HydrophobicContact CD2-CE1 4.07Å; Y725-Y730 HydrophobicContact CE2-CE1 4.06Å; Y725-Y730 WeakPolarHBondContact O-CE1 3.38Å; Y725-Y730 PolarHBondContact O-OH 3.09Å
726	W	95.8	Very high	90.8	Very high	36 Å²	36	58.1 Å²	58.1	14%	0.136	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-74.9	-8.9	-178.2	-57.4	118.1	0	0	0	113.8	E415 V417 R424 L425 I426 E442 G724 R728	E415-W726 HydrophobicContact CB-CH2 4.22Å; E415-W726 HydrophobicContact CB-CZ3 4.35Å; E415-W726 WeakPolarHBondContact OE2-CZ3 3.12Å; V417-W726 HydrophobicContact CG2-CH2 4.3Å; V417-W726 HydrophobicContact CG2-CZ3 4Å; R424-W726 HydrophobicContact CB-CH2 3.77Å; R424-W726 HydrophobicContact CB-CZ2 3.82Å; R424-W726 HydrophobicContact CB-CZ3 4.46Å; R424-W726 VanDerWaalsContact CD-CE2 3.48Å; R424-W726 HydrophobicContact CG-CH2 4.03Å; R424-W726 HydrophobicContact CG-CZ2 3.57Å; L425-W726 WeakPolarHBondContact O-CH2 3.47Å; I426-W726 HydrophobicContact CB-CZ2 4.07Å; I426-W726 HydrophobicContact CG2-CZ2 4.18Å; E442-W726 PolarHBondContact OE1-NE1 2.94Å; G724-W726 VanDerWaalsContact C-N 3.34Å; G724-W726 PolarHBondContact O-N 3.23Å; W726-R728 PolarHBondContact O-N 2.89Å
727	D	94.4	Very high	90.9	Very high	117 Å²	117	58.2 Å²	58.2	63%	0.626	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-79.6	3.2	178.8	-54.3	-22.3	0	0	0	112.2	G724 Y725 S729	G724-D727 WeakPolarHBondContact CA-OD2 3.49Å; G724-D727 WeakPolarHBondContact O-CB 3.27Å; G724-D727 PolarHBondContact O-N 3.38Å; G724-D727 VanDerWaalsContact O-N 3.1Å; Y725-D727 PolarHBondContact O-N 3.19Å; D727-S729 PolarHBondContact O-N 3.05Å; D727-S729 PolarHBondContact O-OG 2.98Å
728	R	93.5	Very high	90.8	Very high	79 Å²	79	53.9 Å²	53.9	30%	0.298	30%	0.3	S	S	.	.			trans	51.4	12.8	178	-56.3	-52.7	-166.3	-171	5.6	115.9	E415 V646 W726 Y730	E415-R728 VanDerWaalsContact CD-NH2 3.31Å; E415-R728 IonicContact OE1-CZ 3.74Å; E415-R728 IonicContact OE1-NH1 3.23Å; E415-R728 IonicContact OE1-NH2 2.73Å; E415-R728 PolarHBondContact OE1-NH2 3.26Å; E415-R728 IonicContact OE2-CZ 3.07Å; E415-R728 VanDerWaalsContact OE2-CZ 3.25Å; E415-R728 IonicContact OE2-NH1 3.95Å; E415-R728 PolarHBondContact OE2-NH1 3.49Å; E415-R728 IonicContact OE2-NH2 2.77Å; E415-R728 PolarHBondContact OE2-NH2 3.5Å; V646-R728 WeakPolarHBondContact O-CD 3.36Å; W726-R728 PolarHBondContact O-N 2.89Å; R728-Y730 VanDerWaalsContact C-N 3.26Å; R728-Y730 HydrophobicContact CB-CE2 4.47Å; R728-Y730 WeakPolarHBondContact CD-OH 3.46Å; R728-Y730 PolarHBondContact NH1-OH 2.93Å; R728-Y730 PolarHBondContact O-N 3.31Å
729	S	89.7	Confident	90.6	Very high	96 Å²	96	56.4 Å²	56.4	67%	0.671	32%	0.315	S	S	*	.			trans	-86.9	59.5	-171.8	-65.7	0	0	0	0	111.8	D727 S731	D727-S729 PolarHBondContact O-N 3.05Å; D727-S729 PolarHBondContact O-OG 2.98Å; S729-S731 PolarHBondContact O-N 2.72Å
730	Y	88.4	Confident	90.3	Very high	54 Å²	54	57.6 Å²	57.6	21%	0.212	33%	0.325	C	S	.	.			trans	-75.5	80.3	-170.5	-60.3	-42.3	0	0	0	113.8	P648 W705 Y725 R728 L733	P648-Y730 HydrophobicContact CB-CD1 4.39Å; P648-Y730 HydrophobicContact CB-CD2 4.02Å; P648-Y730 HydrophobicContact CB-CE1 4.41Å; P648-Y730 HydrophobicContact CB-CE2 4.01Å; P648-Y730 HydrophobicContact CB-CG 4.24Å; P648-Y730 HydrophobicContact CG-CE2 4.42Å; W705-Y730 AromaticContact CH2-CD1 3.82Å; W705-Y730 HydrophobicContact CH2-CD1 3.82Å; W705-Y730 AromaticContact CH2-CE1 3.84Å; W705-Y730 HydrophobicContact CH2-CE1 3.84Å; W705-Y730 AromaticContact CZ2-CD1 3.75Å; W705-Y730 HydrophobicContact CZ2-CD1 3.75Å; W705-Y730 AromaticContact CZ2-CE1 3.77Å; W705-Y730 HydrophobicContact CZ2-CE1 3.77Å; Y725-Y730 HydrophobicContact CD2-CE1 4.07Å; Y725-Y730 HydrophobicContact CE2-CE1 4.06Å; Y725-Y730 WeakPolarHBondContact O-CE1 3.38Å; Y725-Y730 PolarHBondContact O-OH 3.09Å; R728-Y730 VanDerWaalsContact C-N 3.26Å; R728-Y730 HydrophobicContact CB-CE2 4.47Å; R728-Y730 WeakPolarHBondContact CD-OH 3.46Å; R728-Y730 PolarHBondContact NH1-OH 2.93Å; R728-Y730 PolarHBondContact O-N 3.31Å; Y730-L733 HydrophobicContact CD1-CD1 4.11Å; Y730-L733 HydrophobicContact CD1-CD2 4.48Å; Y730-L733 HydrophobicContact CG-CD1 3.96Å
731	S	79.5	Confident	90	Very high	88 Å²	88	58.5 Å²	58.5	62%	0.615	33%	0.331	S	S	*	.			trans	-94.4	138.3	169.4	68.8	0	0	0	0	111.9	S729 L733	S729-S731 PolarHBondContact O-N 2.72Å; S731-L733 VanDerWaalsContact C-N 3.33Å; S731-L733 PolarHBondContact O-N 3.12Å
732	Q	75.6	Confident	89.5	Confident	133 Å²	133	59.5 Å²	59.5	62%	0.621	34%	0.34	S	S	*	.	S	Bend	trans	54	40.4	171	-51.8	-178.3	4.9	0	0	114.9	R704	R704-Q732 PolarHBondContact NH2-O 3.44Å
733	L	83.9	Confident	89.2	Confident	27 Å²	27	59.5 Å²	59.5	14%	0.141	33%	0.334	C	S	.	.			trans	-65.6	151.8	170.8	-61.4	-167.3	0	0	0	111.1	P648 Q649 T650 W705 Y730 S731	P648-L733 HydrophobicContact CB-CD1 3.38Å; Q649-L733 HydrophobicContact CG-CB 4.28Å; Q649-L733 HydrophobicContact CG-CD1 4.49Å; Q649-L733 PolarHBondContact NE2-O 3.02Å; T650-L733 HydrophobicContact CG2-CB 4.43Å; W705-L733 HydrophobicContact CZ2-CD2 3.8Å; Y730-L733 HydrophobicContact CD1-CD1 4.11Å; Y730-L733 HydrophobicContact CD1-CD2 4.48Å; Y730-L733 HydrophobicContact CG-CD1 3.96Å; S731-L733 VanDerWaalsContact C-N 3.33Å; S731-L733 PolarHBondContact O-N 3.12Å
734	P	81.2	Confident	88.9	Confident	32 Å²	32	61.8 Å²	61.8	21%	0.208	34%	0.338	C	S	.	.			trans	-66.6	140	174.6	30.2	-35.1	0	0	0	110.1	Q649 T650 I736	Q649-P734 PolarHBondContact NE2-O 3Å; T650-P734 HydrophobicContact CG2-CG 3.9Å; T650-P734 WeakPolarHBondContact CG2-O 3.42Å; P734-I736 HydrophobicContact CB-CG2 3.95Å; P734-I736 HydrophobicContact CG-CG2 4.19Å
735	D	89.3	Confident	88.6	Confident	114 Å²	114	63.8 Å²	63.8	61%	0.61	34%	0.336	S	S	*	.			trans	-87.1	110.5	167.6	167.8	30.6	0	0	0	108.8	K679	K679-D735 IonicContact NZ-OD1 3.32Å; K679-D735 PolarHBondContact NZ-OD1 3.25Å; K679-D735 IonicContact NZ-OD2 3.29Å; K679-D735 PolarHBondContact NZ-OD2 3.41Å
736	I	91.4	Very high	88	Confident	16 Å²	16	69.1 Å²	69.1	8%	0.082	36%	0.364	C	S	.	.			trans	-119.6	-15.4	-171	60.5	172.2	0	0	0	114.4	L409 E412 T650 P734	L409-I736 HydrophobicContact CB-CD1 4.49Å; L409-I736 HydrophobicContact CD1-CB 4.26Å; L409-I736 VanDerWaalsContact CD1-O 3.25Å; L409-I736 WeakPolarHBondContact CD1-O 3.23Å; E412-I736 HydrophobicContact CB-CD1 3.98Å; T650-I736 HydrophobicContact CG2-CD1 3.99Å; T650-I736 HydrophobicContact CG2-CG1 4.25Å; P734-I736 HydrophobicContact CB-CG2 3.95Å; P734-I736 HydrophobicContact CG-CG2 4.19Å
737	Y	93.9	Very high	87.3	Confident	37 Å²	37	72.1 Å²	72.1	15%	0.145	39%	0.385	C	S	.	.			trans	-101.1	0	-174.8	-60.1	-33.6	0	0	0	115.2	L409 Q649 T650 C652 L654 R655 R675 L676 K679	L409-Y737 HydrophobicContact CD1-CD1 3.9Å; L409-Y737 HydrophobicContact CD1-CE1 3.94Å; Q649-Y737 WeakPolarHBondContact O-CD2 3.42Å; Q649-Y737 VanDerWaalsContact O-CE2 3.23Å; Q649-Y737 WeakPolarHBondContact O-CE2 3.44Å; T650-Y737 PolarHBondContact O-OH 3.32Å; T650-Y737 VanDerWaalsContact O-OH 3.13Å; C652-Y737 WeakPolarHBondContact CA-OH 3.42Å; L654-Y737 HydrophobicContact CB-CD2 4.34Å; L654-Y737 HydrophobicContact CB-CE2 4.07Å; R655-Y737 HydrophobicContact CB-CD1 4.3Å; R655-Y737 HydrophobicContact CB-CE1 3.7Å; R655-Y737 HydrophobicContact CB-CE2 4.2Å; R655-Y737 HydrophobicContact CG-CD1 3.91Å; R655-Y737 HydrophobicContact CG-CE1 3.47Å; R655-Y737 VanDerWaalsContact CG-CE1 3.47Å; R675-Y737 PolarHBondContact NH1-OXT 3.13Å; R675-Y737 PolarHBondContact NH2-OXT 2.81Å; L676-Y737 VanDerWaalsContact CD2-CA 3.46Å; L676-Y737 HydrophobicContact CD2-CD1 4.02Å; L676-Y737 VanDerWaalsContact CD2-OXT 3.28Å; L676-Y737 WeakPolarHBondContact CD2-OXT 3.26Å; K679-Y737 WeakPolarHBondContact CD-O 3.33Å; K679-Y737 PolarHBondContact NZ-O 3.1Å

Retrieved 737 of 737 residues in 423.5 ms (Link to these results)

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