A0A087YC46_POEFO Loading...

GATOR2 complex protein WDR24

Catalytic component of the GATOR2 complex, a multiprotein complex that acts as an activator of the amino acid-sensing branch of the mTORC1 signaling pathway. The GATOR2 complex indirectly activates mTORC1 through the inhibition of the GATOR1 subcomplex. GATOR2 probably acts as an E3 ubiquitin-protein ligase toward GATOR1. In the presence of abundant amino acids, the GATOR2 complex mediates ubiquitination of the NPRL2 core component of the GATOR1 complex, leading to GATOR1 inactivation. In the absence of amino acids, GATOR2 is inhibited, activating the GATOR1 complex. In addition to its role in regulation of the mTORC1 complex, promotes the acidification of lysosomes and facilitates autophagic flux. Within the GATOR2 complex, WDR24 constitutes the catalytic subunit that mediates 'Lys-6'-linked ubiquitination of NPRL2.

AlphaFold DB , UniProt , Accession A0A087YC46, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 783 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.1	Very low	29.3	Very low	245 Å²	245	164 Å²	164	100%	1.207	86%	0.859	S	S	*	*				0	102.2	0	-81.7	-179.6	169.1	0	0	107.3
2	E	25.4	Very low	29	Very low	196 Å²	196	154.6 Å²	154.6	92%	0.916	83%	0.831	S	S	*	*			trans	-135.5	151.3	175.3	-70.9	-173.4	112.5	0	0	109.9	M4	E2-M4 PolarHBondContact O-N 3.02Å
3	K	34.8	Very low	29.2	Very low	211 Å²	211	152.8 Å²	152.8	92%	0.917	84%	0.838	S	S	*	*			trans	-86	109	-176.2	-65.5	172.7	179.4	173.6	0	109.4
4	M	26.4	Very low	29.3	Very low	194 Å²	194	148.7 Å²	148.7	96%	0.956	83%	0.826	S	S	*	*			trans	-76.9	132.4	155.8	-77.7	-169.2	166.5	0	0	109.3	E2	E2-M4 PolarHBondContact O-N 3.02Å
5	S	26.3	Very low	29.7	Very low	100 Å²	100	144.8 Å²	144.8	70%	0.699	81%	0.813	S	S	*	*			trans	-74.4	135.7	-172.3	37.8	0	0	0	0	111.7	V7	S5-V7 PolarHBondContact O-N 3.03Å
6	R	28	Very low	30.9	Very low	232 Å²	232	140.2 Å²	140.2	88%	0.875	79%	0.785	S	S	*	*			trans	-65.1	101.7	157.1	-81.4	-179.3	167.6	175.3	-6.1	107.8	T8	R6-T8 HydrophobicContact CB-CG2 4.45Å; R6-T8 PolarHBondContact O-N 3Å
7	V	24.5	Very low	31.8	Very low	120 Å²	120	138.1 Å²	138.1	73%	0.727	78%	0.776	S	S	*	*			trans	-73.3	87.9	161.2	-179.8	0	0	0	0	106.8	S5 T9	S5-V7 PolarHBondContact O-N 3.03Å; V7-T9 VanDerWaalsContact C-N 3.34Å; V7-T9 PolarHBondContact O-N 2.86Å
8	T	26.1	Very low	33.4	Very low	115 Å²	115	131.4 Å²	131.4	71%	0.706	74%	0.743	S	S	*	*			trans	-70.5	94.1	166.9	47.4	0	0	0	0	108.1	R6 A10	R6-T8 HydrophobicContact CB-CG2 4.45Å; R6-T8 PolarHBondContact O-N 3Å; T8-A10 PolarHBondContact O-N 3Å
9	T	28	Very low	35.6	Very low	126 Å²	126	134.2 Å²	134.2	77%	0.773	74%	0.74	S	S	*	*			trans	-57.9	105.5	157.1	29.3	0	0	0	0	107.3	V7 L11	V7-T9 VanDerWaalsContact C-N 3.34Å; V7-T9 PolarHBondContact O-N 2.86Å; T9-L11 VanDerWaalsContact C-N 3.32Å; T9-L11 PolarHBondContact O-N 2.88Å
10	A	28.6	Very low	38.1	Very low	93 Å²	93	129.5 Å²	129.5	77%	0.769	72%	0.716	S	S	*	*			trans	-71.9	90.5	179.8	0	0	0	0	0	109.2	T8 G12	T8-A10 PolarHBondContact O-N 3Å; A10-G12 PolarHBondContact O-N 3.39Å
11	L	34.1	Very low	40.6	Very low	172 Å²	172	124 Å²	124	90%	0.901	69%	0.685	S	S	*	*			trans	-60.5	89.9	149	-76.8	168.7	0	0	0	106.4	T9	T9-L11 VanDerWaalsContact C-N 3.32Å; T9-L11 PolarHBondContact O-N 2.88Å
12	G	26.4	Very low	43.1	Very low	51 Å²	51	117.7 Å²	117.7	53%	0.526	65%	0.651	S	S	.	*			trans	-61	168.4	173.9	0	0	0	0	0	110.6	A10 S14	A10-G12 PolarHBondContact O-N 3.39Å; G12-S14 PolarHBondContact O-N 2.76Å
13	S	30.8	Very low	46.3	Very low	132 Å²	132	109.3 Å²	109.3	92%	0.923	61%	0.614	S	S	*	*			trans	-73.7	60.3	178.5	58.9	0	0	0	0	112.1
14	S	30.5	Very low	49.2	Very low	95 Å²	95	105.9 Å²	105.9	66%	0.664	60%	0.601	S	S	*	*			trans	-66.7	145.1	164.9	50	0	0	0	0	109.5	G12 I16	G12-S14 PolarHBondContact O-N 2.76Å; S14-I16 PolarHBondContact O-N 2.9Å
15	S	35.7	Very low	52.3	Low	90 Å²	90	97.2 Å²	97.2	63%	0.629	56%	0.558	S	S	*	*			trans	-56.2	132.1	163.5	40.4	0	0	0	0	109.1	T17	S15-T17 VanDerWaalsContact C-N 3.33Å; S15-T17 PolarHBondContact O-N 3.48Å; S15-T17 WeakPolarHBondContact OG-CG2 3.48Å
16	I	49	Very low	55.2	Low	71 Å²	71	98 Å²	98	36%	0.364	56%	0.555	S	S	.	*			trans	-68.7	94.5	171.8	-57.7	176.1	0	0	0	107.2	S14 Y313 M327	S14-I16 PolarHBondContact O-N 2.9Å; I16-Y313 HydrophobicContact CG2-CE2 4.47Å; I16-Y313 WeakPolarHBondContact CG2-OH 3.26Å; I16-M327 HydrophobicContact CG2-CE 3.68Å; I16-M327 HydrophobicContact CG2-SD 4.37Å
17	T	46.7	Very low	58.2	Low	105 Å²	105	87.3 Å²	87.3	64%	0.644	52%	0.516	S	S	*	.			trans	-94.4	-7.2	-171.1	39.6	0	0	0	0	115.1	S15	S15-T17 VanDerWaalsContact C-N 3.33Å; S15-T17 PolarHBondContact O-N 3.48Å; S15-T17 WeakPolarHBondContact OG-CG2 3.48Å
18	G	60.5	Low	61.4	Low	17 Å²	17	84.4 Å²	84.4	18%	0.175	50%	0.5	C	S	.	.			trans	-61.1	162.9	174.2	0	0	0	0	0	112.3	M327	G18-M327 VanDerWaalsContact C-CE 3.43Å; G18-M327 WeakPolarHBondContact O-CE 3.16Å
19	R	73.8	Confident	64.6	Low	184 Å²	184	79 Å²	79	69%	0.694	47%	0.466	S	S	*	.			trans	-126.3	164.7	169.7	-66.3	179.5	177.7	167	1.2	109.2	M21	R19-M21 PolarHBondContact O-N 3.21Å
20	T	85.7	Confident	67.6	Low	40 Å²	40	75.2 Å²	75.2	25%	0.245	44%	0.441	C	S	.	.			trans	-59.4	129.3	158.9	-62.8	0	0	0	0	109.4	Y324 Q325 M327 D330	T20-Y324 HydrophobicContact CG2-CD1 4.39Å; T20-Q325 VanDerWaalsContact CA-O 3.3Å; T20-Q325 WeakPolarHBondContact CA-O 3.48Å; T20-M327 PolarHBondContact OG1-N 3.06Å; T20-D330 VanDerWaalsContact CB-OD2 3.31Å; T20-D330 WeakPolarHBondContact CB-OD2 3.49Å; T20-D330 PolarHBondContact N-OD2 3.35Å; T20-D330 PolarHBondContact OG1-OD2 3.34Å
21	M	91	Very high	70.7	Confident	16 Å²	16	70.9 Å²	70.9	8%	0.079	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	157.1	-175.8	61.5	168.9	66.8	0	0	110.5	R19 E56 E57 F59 Y324 Q325	R19-M21 PolarHBondContact O-N 3.21Å; M21-E56 VanDerWaalsContact CE-O 3.25Å; M21-E56 WeakPolarHBondContact CE-O 3.39Å; M21-E57 VanDerWaalsContact CE-C 3.5Å; M21-F59 HydrophobicContact CG-CD2 4.5Å; M21-F59 HydrophobicContact CG-CE2 3.89Å; M21-F59 HydrophobicContact SD-CD2 4.32Å; M21-F59 HydrophobicContact SD-CE2 4.13Å; M21-Y324 WeakPolarHBondContact O-CA 3.46Å; M21-Q325 HydrophobicContact CG-CB 3.77Å; M21-Q325 HydrophobicContact CG-CG 4.43Å; M21-Q325 PolarHBondContact N-O 2.84Å; M21-Q325 PolarHBondContact O-N 2.83Å; M21-Q325 HydrophobicContact SD-CB 4.48Å; M21-Q325 PolarHBondContact SD-NE2 2.86Å; M21-Q325 VanDerWaalsContact SD-NE2 3.37Å
22	F	92.6	Very high	73.6	Confident	111 Å²	111	63.4 Å²	63.4	49%	0.487	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	163.3	179.4	73.6	-83	0	0	0	112.4	H24 L323 Y324	F22-H24 AromaticContact CE2-NE2 3.73Å; F22-L323 CarbonylContact C-O 3.55Å; F22-L323 WeakPolarHBondContact CA-O 3.46Å; F22-L323 WeakPolarHBondContact CB-O 3.38Å; F22-Y324 HydrophobicContact CB-CD1 3.56Å; F22-Y324 HydrophobicContact CB-CD2 4.06Å; F22-Y324 HydrophobicContact CB-CE1 3.58Å; F22-Y324 HydrophobicContact CB-CE2 4.13Å; F22-Y324 HydrophobicContact CB-CG 3.8Å; F22-Y324 HydrophobicContact CD1-CE1 4.11Å; F22-Y324 HydrophobicContact CG-CD1 4.45Å; F22-Y324 AromaticContact CG-CE1 3.99Å; F22-Y324 HydrophobicContact CG-CE1 3.99Å
23	C	93.4	Very high	76.9	Confident	20 Å²	20	61.2 Å²	61.2	14%	0.135	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	152.7	162.9	67.5	0	0	0	0	111.5	F59 T322 L323	C23-F59 HydrophobicContact CB-CB 3.96Å; C23-F59 HydrophobicContact CB-CD2 3.94Å; C23-F59 HydrophobicContact CB-CG 4.22Å; C23-T322 WeakPolarHBondContact O-CA 3.46Å; C23-L323 PolarHBondContact N-O 2.79Å; C23-L323 PolarHBondContact O-N 2.87Å
24	H	94.3	Very high	79.9	Confident	139 Å²	139	55.3 Å²	55.3	64%	0.644	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.5	144.9	167.9	-70.5	-66.9	0	0	0	111	F22	F22-H24 AromaticContact CE2-NE2 3.73Å
25	L	92.1	Very high	82.8	Confident	13 Å²	13	51 Å²	51	7%	0.068	27%	0.271	C	S	.	.			trans	-111	147.2	-179.1	-56.3	175.6	0	0	0	109.4	A27 A29 V43 I48 Y52 S321 L323	L25-A27 WeakPolarHBondContact CB-O 3.28Å; L25-A27 PolarHBondContact O-N 3.38Å; L25-A29 HydrophobicContact CD1-CB 4.01Å; L25-V43 HydrophobicContact CD1-CG1 3.95Å; L25-I48 HydrophobicContact CB-CD1 3.81Å; L25-I48 HydrophobicContact CD1-CD1 4.44Å; L25-I48 HydrophobicContact CD2-CD1 3.86Å; L25-I48 HydrophobicContact CG-CD1 4.25Å; L25-Y52 HydrophobicContact CD2-CE2 3.77Å; L25-Y52 WeakPolarHBondContact CD2-OH 3.25Å; L25-S321 WeakPolarHBondContact CB-O 3.27Å; L25-S321 PolarHBondContact N-O 3.13Å; L25-L323 HydrophobicContact CD1-CB 4.23Å; L25-L323 HydrophobicContact CD2-CB 3.99Å; L25-L323 HydrophobicContact CG-CB 4.29Å
26	D	88.3	Confident	85.2	Confident	116 Å²	116	53.2 Å²	53.2	62%	0.62	27%	0.266	S	S	*	.	S	Bend	trans	-61.1	-18.2	177	-48.9	22.1	0	0	0	113.2	K50	D26-K50 IonicContact OD1-NZ 3.37Å; D26-K50 PolarHBondContact OD1-NZ 2.89Å; D26-K50 WeakPolarHBondContact OD2-CE 3.18Å; D26-K50 IonicContact OD2-NZ 3.71Å; D26-K50 PolarHBondContact OD2-NZ 2.88Å
27	A	90.6	Very high	86.9	Confident	8 Å²	8	53 Å²	53	7%	0.066	27%	0.266	C	S	.	.	S	Bend	trans	-163.2	164.4	-178.5	0	0	0	0	0	112.2	L25 N47 I48 S321	L25-A27 WeakPolarHBondContact CB-O 3.28Å; L25-A27 PolarHBondContact O-N 3.38Å; A27-N47 HydrophobicContact CB-CB 3.51Å; A27-I48 HydrophobicContact CB-CB 4.2Å; A27-I48 HydrophobicContact CB-CG2 4.38Å; A27-S321 VanDerWaalsContact C-OG 3.3Å
28	P	91.6	Very high	88.7	Confident	59 Å²	59	48.7 Å²	48.7	38%	0.383	24%	0.241	S	C	.	.			trans	-51.3	134.3	174.9	-33.6	38.8	0	0	0	114.6	I48 K319 S321	P28-I48 WeakPolarHBondContact O-CG2 3.32Å; P28-K319 WeakPolarHBondContact CG-O 3.42Å; P28-S321 VanDerWaalsContact CD-OG 3.28Å; P28-S321 WeakPolarHBondContact CD-OG 3.46Å; P28-S321 VanDerWaalsContact N-OG 3.13Å
29	A	92.1	Very high	90.1	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.248	C	C	.	.			trans	-83.4	137.7	170.8	0	0	0	0	0	110.8	L25 V43 T301 S318	L25-A29 HydrophobicContact CD1-CB 4.01Å; A29-V43 HydrophobicContact CB-CG1 3.72Å; A29-T301 WeakPolarHBondContact O-CB 3.41Å; A29-T301 WeakPolarHBondContact O-CG2 3.42Å; A29-T301 PolarHBondContact O-OG1 3.22Å; A29-S318 PolarHBondContact N-O 2.79Å
30	N	92.1	Very high	91	Very high	47 Å²	47	42.5 Å²	42.5	25%	0.251	22%	0.222	S	C	.	.	S	Bend	trans	-102.6	-33.5	169.4	-67.7	-18.6	0	0	0	111.7	A44 C77 T301	N30-A44 PolarHBondContact N-O 3.07Å; N30-C77 PolarHBondContact ND2-O 3.29Å; N30-T301 WeakPolarHBondContact O-CB 3.47Å
31	A	93.3	Very high	91.4	Very high	2 Å²	2	40.6 Å²	40.6	2%	0.017	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	154.5	-179.8	0	0	0	0	0	111.6	A44 V80	A31-A44 PolarHBondContact N-O 3.39Å; A31-A44 PolarHBondContact O-N 3.18Å; A31-V80 HydrophobicContact CB-CG1 4Å
32	I	95.4	Very high	91.6	Very high	15 Å²	15	39.9 Å²	39.9	8%	0.077	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	150.3	177.6	61.3	174.2	0	0	0	109.9	V41 V42 V43 V304 L315 L323	I32-V41 HydrophobicContact CB-CG2 4.46Å; I32-V42 VanDerWaalsContact CA-O 3.3Å; I32-V42 WeakPolarHBondContact CA-O 3.4Å; I32-V43 HydrophobicContact CG2-CB 4.44Å; I32-V43 HydrophobicContact CG2-CG1 4.23Å; I32-V43 HydrophobicContact CG2-CG2 4.06Å; I32-V304 HydrophobicContact CD1-CG1 3.75Å; I32-V304 HydrophobicContact CG1-CG1 3.87Å; I32-L315 HydrophobicContact CD1-CB 4.04Å; I32-L323 HydrophobicContact CD1-CD1 4.5Å; I32-L323 HydrophobicContact CG2-CD1 4.16Å
33	S	95.1	Very high	91.7	Very high	6 Å²	6	34.6 Å²	34.6	4%	0.042	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	148.3	173.9	-163.7	0	0	0	0	110.8	V41 V42 W82	S33-V41 WeakPolarHBondContact O-CA 3.38Å; S33-V41 WeakPolarHBondContact O-CG2 3.29Å; S33-V42 PolarHBondContact N-O 3.1Å; S33-V42 PolarHBondContact O-N 2.87Å; S33-W82 PolarHBondContact OG-N 2.75Å
34	V	93.6	Very high	91.6	Very high	8 Å²	8	33.7 Å²	33.7	5%	0.048	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	141.2	-175.6	-157.5	0	0	0	0	109.9	Q40 L54 W82 V304 L315	V34-Q40 VanDerWaalsContact CG1-O 3.27Å; V34-Q40 WeakPolarHBondContact CG1-O 3.4Å; V34-L54 HydrophobicContact CG1-CD1 4.4Å; V34-W82 WeakPolarHBondContact O-CB 3.4Å; V34-V304 HydrophobicContact CG2-CB 4.36Å; V34-V304 HydrophobicContact CG2-CG1 3.49Å; V34-V304 VanDerWaalsContact CG2-CG1 3.49Å; V34-V304 HydrophobicContact CG2-CG2 3.93Å; V34-L315 HydrophobicContact CG1-CD1 4.49Å; V34-L315 HydrophobicContact CG2-CD1 3.74Å
35	C	91.8	Very high	91.4	Very high	4 Å²	4	27.2 Å²	27.2	3%	0.027	15%	0.148	C	C	.	.			trans	-61.6	151.2	167.7	-175.9	0	0	0	0	110.9	D37 A38 Q40 W82	C35-D37 VanDerWaalsContact CB-OD1 3.23Å; C35-D37 WeakPolarHBondContact CB-OD1 3.39Å; C35-D37 PolarHBondContact O-N 3.1Å; C35-D37 VanDerWaalsContact O-N 3.13Å; C35-D37 PolarHBondContact SG-OD1 2.74Å; C35-A38 PolarHBondContact O-N 2.77Å; C35-Q40 HydrophobicContact CB-CB 4.03Å; C35-Q40 PolarHBondContact N-O 3.06Å; C35-W82 HydrophobicContact CB-CD2 3.71Å; C35-W82 HydrophobicContact CB-CE3 4Å; C35-W82 HydrophobicContact CB-CG 4.27Å; C35-W82 HydrophobicContact CB-CH2 4.11Å; C35-W82 HydrophobicContact CB-CZ2 3.81Å; C35-W82 HydrophobicContact CB-CZ3 4.19Å
36	R	85.4	Confident	91.1	Very high	136 Å²	136	35.2 Å²	35.2	51%	0.513	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52	-33.2	176.8	-172.8	-161.4	73.2	-161.7	0.4	113.4	A38 Q84 M85	R36-A38 VanDerWaalsContact C-N 3.26Å; R36-A38 PolarHBondContact O-N 3.05Å; R36-Q84 WeakPolarHBondContact CB-O 3.4Å; R36-Q84 WeakPolarHBondContact CD-O 3.13Å; R36-Q84 WeakPolarHBondContact CG-O 3.13Å; R36-M85 PolarHBondContact NH1-O 3.22Å
37	D	84.7	Confident	91	Very high	68 Å²	68	33.6 Å²	33.6	36%	0.364	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-6	-178.8	71.2	-7.6	0	0	0	114.4	C35 A39	C35-D37 VanDerWaalsContact CB-OD1 3.23Å; C35-D37 WeakPolarHBondContact CB-OD1 3.39Å; C35-D37 PolarHBondContact O-N 3.1Å; C35-D37 VanDerWaalsContact O-N 3.13Å; C35-D37 PolarHBondContact SG-OD1 2.74Å; D37-A39 PolarHBondContact O-N 3.22Å; D37-A39 PolarHBondContact OD1-N 3.3Å
38	A	86.1	Confident	90.9	Very high	14 Å²	14	33.5 Å²	33.5	12%	0.116	17%	0.167	C	C	.	.	S	Bend	trans	59.6	17.6	-175.2	0	0	0	0	0	115.3	C35 R36 L54 R306 H307	C35-A38 PolarHBondContact O-N 2.77Å; R36-A38 VanDerWaalsContact C-N 3.26Å; R36-A38 PolarHBondContact O-N 3.05Å; A38-L54 WeakPolarHBondContact O-CD1 3.26Å; A38-R306 HydrophobicContact CB-CG 4.23Å; A38-R306 WeakPolarHBondContact CB-O 3.27Å; A38-H307 HydrophobicContact CB-CB 3.84Å
39	A	88.8	Confident	90.9	Very high	40 Å²	40	31.3 Å²	31.3	33%	0.331	15%	0.151	S	C	.	.	S	Bend	trans	-105	-10.5	-179.2	0	0	0	0	0	113.8	D37 A53 L54	D37-A39 PolarHBondContact O-N 3.22Å; D37-A39 PolarHBondContact OD1-N 3.3Å; A39-A53 WeakPolarHBondContact O-CA 3.34Å; A39-L54 PolarHBondContact O-N 2.63Å
40	Q	93	Very high	90.9	Very high	31 Å²	31	31.8 Å²	31.8	15%	0.145	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	142.6	-179.7	-64.4	176.4	79	0	0	111.8	V34 C35 I51 Y52 W82 E87	V34-Q40 VanDerWaalsContact CG1-O 3.27Å; V34-Q40 WeakPolarHBondContact CG1-O 3.4Å; C35-Q40 HydrophobicContact CB-CB 4.03Å; C35-Q40 PolarHBondContact N-O 3.06Å; Q40-I51 HydrophobicContact CB-CG2 4.31Å; Q40-Y52 WeakPolarHBondContact CA-O 3.05Å; Q40-W82 HydrophobicContact CB-CH2 3.57Å; Q40-W82 HydrophobicContact CB-CZ2 4.39Å; Q40-W82 HydrophobicContact CB-CZ3 3.86Å; Q40-W82 HydrophobicContact CG-CH2 4.47Å; Q40-E87 PolarHBondContact NE2-OE1 2.75Å
41	V	94.8	Very high	90.9	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	132.8	174.5	60.3	0	0	0	0	110	I32 S33 I51 Y52 L54 F59 L315 L323	I32-V41 HydrophobicContact CB-CG2 4.46Å; S33-V41 WeakPolarHBondContact O-CA 3.38Å; S33-V41 WeakPolarHBondContact O-CG2 3.29Å; V41-I51 WeakPolarHBondContact O-CA 3.31Å; V41-Y52 PolarHBondContact N-O 3.05Å; V41-Y52 PolarHBondContact O-N 2.86Å; V41-L54 HydrophobicContact CG1-CD2 3.92Å; V41-L54 HydrophobicContact CG1-CG 4.34Å; V41-F59 HydrophobicContact CG1-CD1 4.32Å; V41-F59 HydrophobicContact CG1-CE1 4.18Å; V41-L315 HydrophobicContact CB-CD1 3.84Å; V41-L315 HydrophobicContact CG1-CD1 4.35Å; V41-L315 HydrophobicContact CG2-CD1 3.7Å; V41-L323 HydrophobicContact CG1-CD2 3.97Å
42	V	94.7	Very high	91	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	134.5	171.2	65.8	0	0	0	0	109.6	I32 S33 F49 K50 I51 V80 W82 L90	I32-V42 VanDerWaalsContact CA-O 3.3Å; I32-V42 WeakPolarHBondContact CA-O 3.4Å; S33-V42 PolarHBondContact N-O 3.1Å; S33-V42 PolarHBondContact O-N 2.87Å; V42-F49 HydrophobicContact CG2-CD2 4.13Å; V42-F49 HydrophobicContact CG2-CE2 3.7Å; V42-K50 WeakPolarHBondContact CA-O 3.27Å; V42-I51 HydrophobicContact CB-CG1 4.22Å; V42-I51 HydrophobicContact CG2-CG1 4.03Å; V42-V80 HydrophobicContact CG1-CG1 4.11Å; V42-V80 HydrophobicContact CG1-CG2 3.63Å; V42-V80 HydrophobicContact CG2-CG2 4.15Å; V42-W82 HydrophobicContact CB-CE3 3.92Å; V42-W82 HydrophobicContact CB-CZ3 3.91Å; V42-W82 HydrophobicContact CG1-CE3 3.79Å; V42-W82 HydrophobicContact CG1-CZ3 4.32Å; V42-L90 HydrophobicContact CG1-CD2 4.34Å; V42-L90 HydrophobicContact CG2-CD1 4.16Å
43	V	94.3	Very high	90.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	126.8	177.2	-176.8	0	0	0	0	108.6	L25 A29 I32 I48 F49 K50 Y52 L323	L25-V43 HydrophobicContact CD1-CG1 3.95Å; A29-V43 HydrophobicContact CB-CG1 3.72Å; I32-V43 HydrophobicContact CG2-CB 4.44Å; I32-V43 HydrophobicContact CG2-CG1 4.23Å; I32-V43 HydrophobicContact CG2-CG2 4.06Å; V43-I48 HydrophobicContact CG1-CD1 4.22Å; V43-I48 HydrophobicContact CG1-CG2 4.36Å; V43-F49 WeakPolarHBondContact O-CA 3.23Å; V43-K50 PolarHBondContact N-O 2.77Å; V43-K50 PolarHBondContact O-N 3.28Å; V43-Y52 HydrophobicContact CB-CE2 4.45Å; V43-Y52 HydrophobicContact CG2-CD2 4.02Å; V43-Y52 HydrophobicContact CG2-CE2 4.14Å; V43-L323 HydrophobicContact CG2-CD1 4.06Å; V43-L323 HydrophobicContact CG2-CD2 3.86Å; V43-L323 HydrophobicContact CG2-CG 4.48Å
44	A	92.3	Very high	90.6	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.008	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	144.7	-179.5	0	0	0	0	0	111.7	N30 A31 I48 F49 C77 V80	N30-A44 PolarHBondContact N-O 3.07Å; A31-A44 PolarHBondContact N-O 3.39Å; A31-A44 PolarHBondContact O-N 3.18Å; A44-I48 CarbonylContact C-O 3.6Å; A44-F49 HydrophobicContact CB-CD2 3.87Å; A44-F49 HydrophobicContact CB-CE2 4.3Å; A44-C77 HydrophobicContact CB-CB 3.79Å; A44-V80 HydrophobicContact CB-CB 3.75Å; A44-V80 HydrophobicContact CB-CG1 3.71Å; A44-V80 HydrophobicContact CB-CG2 4.38Å
45	G	89.7	Confident	90.3	Very high	3 Å²	3	33.8 Å²	33.8	3%	0.031	16%	0.16	C	C	.	.			trans	-162.2	-158.2	177.5	0	0	0	0	0	112.3	I48 C77	G45-I48 PolarHBondContact N-O 3.2Å; G45-C77 PolarHBondContact O-N 3.02Å; G45-C77 VanDerWaalsContact O-N 3.15Å
46	R	86.2	Confident	89.7	Confident	181 Å²	181	41.7 Å²	41.7	68%	0.683	20%	0.197	S	C	*	.	S	Bend	trans	-69	-39.4	177.4	-174.9	-179.6	-68	167.4	-2.1	112.5	R66 S76	R46-R66 PolarHBondContact O-NH2 3.45Å; R46-S76 WeakPolarHBondContact CA-OG 3.47Å
47	N	85.7	Confident	89.5	Confident	83 Å²	83	43 Å²	43	44%	0.444	21%	0.209	S	C	.	.	S	Bend	trans	-121.6	-12.3	-174.5	-84.8	-32.7	0	0	0	115.1	A27 R66	A27-N47 HydrophobicContact CB-CB 3.51Å; N47-R66 PolarHBondContact O-NH1 3Å; N47-R66 PolarHBondContact OD1-NH1 2.82Å; N47-R66 VanDerWaalsContact OD1-NH1 3.12Å; N47-R66 PolarHBondContact OD1-NH2 3.13Å
48	I	88.6	Confident	89.6	Confident	6 Å²	6	45 Å²	45	3%	0.031	22%	0.216	C	C	.	.			trans	-110.1	138.2	175.8	-175.4	165.4	0	0	0	110.9	L25 A27 P28 V43 A44 G45 K50	L25-I48 HydrophobicContact CB-CD1 3.81Å; L25-I48 HydrophobicContact CD1-CD1 4.44Å; L25-I48 HydrophobicContact CD2-CD1 3.86Å; L25-I48 HydrophobicContact CG-CD1 4.25Å; A27-I48 HydrophobicContact CB-CB 4.2Å; A27-I48 HydrophobicContact CB-CG2 4.38Å; P28-I48 WeakPolarHBondContact O-CG2 3.32Å; V43-I48 HydrophobicContact CG1-CD1 4.22Å; V43-I48 HydrophobicContact CG1-CG2 4.36Å; A44-I48 CarbonylContact C-O 3.6Å; G45-I48 PolarHBondContact N-O 3.2Å; I48-K50 HydrophobicContact CD1-CB 4.35Å; I48-K50 HydrophobicContact CD1-CD 4.04Å; I48-K50 HydrophobicContact CD1-CG 4.34Å; I48-K50 HydrophobicContact CG1-CB 4.15Å; I48-K50 HydrophobicContact CG1-CD 4.15Å; I48-K50 HydrophobicContact CG1-CG 3.99Å
49	F	91.1	Very high	89.9	Confident	12 Å²	12	45.1 Å²	45.1	5%	0.053	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	90.4	162.3	-172.2	-152.9	0	0	0	108.8	V42 V43 A44 L65 V80 T92 W102	V42-F49 HydrophobicContact CG2-CD2 4.13Å; V42-F49 HydrophobicContact CG2-CE2 3.7Å; V43-F49 WeakPolarHBondContact O-CA 3.23Å; A44-F49 HydrophobicContact CB-CD2 3.87Å; A44-F49 HydrophobicContact CB-CE2 4.3Å; F49-L65 HydrophobicContact CD1-CB 3.38Å; F49-L65 HydrophobicContact CD1-CD1 4.24Å; F49-L65 HydrophobicContact CD1-CG 4.46Å; F49-L65 HydrophobicContact CD2-CD1 4.35Å; F49-L65 HydrophobicContact CE1-CB 3.51Å; F49-L65 HydrophobicContact CE1-CD1 3.67Å; F49-L65 HydrophobicContact CE1-CG 4.22Å; F49-L65 HydrophobicContact CE2-CD1 3.81Å; F49-L65 HydrophobicContact CG-CB 3.92Å; F49-L65 HydrophobicContact CZ-CB 4.15Å; F49-L65 HydrophobicContact CZ-CD1 3.43Å; F49-L65 VanDerWaalsContact CZ-CD1 3.43Å; F49-L65 HydrophobicContact CZ-CG 4.44Å; F49-L65 PolarHBondContact O-N 3.4Å; F49-V80 HydrophobicContact CE2-CG2 4.27Å; F49-T92 HydrophobicContact CE1-CG2 4.14Å; F49-T92 HydrophobicContact CE2-CG2 3.77Å; F49-T92 HydrophobicContact CZ-CG2 3.45Å; F49-T92 VanDerWaalsContact CZ-CG2 3.45Å; F49-W102 HydrophobicContact CD1-CZ2 4.44Å; F49-W102 AromaticContact CE1-CD2 3.88Å; F49-W102 HydrophobicContact CE1-CD2 3.88Å; F49-W102 AromaticContact CE1-CE2 3.55Å; F49-W102 HydrophobicContact CE1-CE3 4.25Å; F49-W102 HydrophobicContact CE1-CG 4.42Å; F49-W102 HydrophobicContact CE1-CH2 4.09Å; F49-W102 AromaticContact CE1-CZ2 3.68Å; F49-W102 HydrophobicContact CE1-CZ2 3.68Å; F49-W102 HydrophobicContact CE1-CZ3 4.35Å; F49-W102 AromaticContact CE1-NE1 3.87Å; F49-W102 HydrophobicContact CZ-CD2 4.27Å; F49-W102 HydrophobicContact CZ-CG 4.35Å; F49-W102 AromaticContact CZ-NE1 3.9Å
50	K	91.5	Very high	90.1	Very high	10 Å²	10	45.1 Å²	45.1	4%	0.043	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	151	-170.1	-74.7	-177.3	173.8	-166.9	0	111.4	D26 V42 V43 I48 Y52 E61 L63 N64	D26-K50 IonicContact OD1-NZ 3.37Å; D26-K50 PolarHBondContact OD1-NZ 2.89Å; D26-K50 WeakPolarHBondContact OD2-CE 3.18Å; D26-K50 IonicContact OD2-NZ 3.71Å; D26-K50 PolarHBondContact OD2-NZ 2.88Å; V42-K50 WeakPolarHBondContact CA-O 3.27Å; V43-K50 PolarHBondContact N-O 2.77Å; V43-K50 PolarHBondContact O-N 3.28Å; I48-K50 HydrophobicContact CD1-CB 4.35Å; I48-K50 HydrophobicContact CD1-CD 4.04Å; I48-K50 HydrophobicContact CD1-CG 4.34Å; I48-K50 HydrophobicContact CG1-CB 4.15Å; I48-K50 HydrophobicContact CG1-CD 4.15Å; I48-K50 HydrophobicContact CG1-CG 3.99Å; K50-Y52 HydrophobicContact CB-CD2 4.32Å; K50-Y52 HydrophobicContact CB-CE2 3.67Å; K50-Y52 HydrophobicContact CD-CE2 4.24Å; K50-Y52 VanDerWaalsContact CD-OH 3.3Å; K50-Y52 WeakPolarHBondContact CD-OH 3.42Å; K50-E61 HydrophobicContact CD-CG 4.26Å; K50-E61 WeakPolarHBondContact CD-OE1 3.32Å; K50-E61 VanDerWaalsContact CE-CD 3.44Å; K50-E61 WeakPolarHBondContact CE-OE1 3.07Å; K50-E61 VanDerWaalsContact CE-OE2 3.32Å; K50-E61 WeakPolarHBondContact CE-OE2 3.37Å; K50-E61 VanDerWaalsContact NZ-CD 3.34Å; K50-E61 IonicContact NZ-OE1 3.95Å; K50-E61 PolarHBondContact NZ-OE1 3.08Å; K50-E61 IonicContact NZ-OE2 2.86Å; K50-E61 PolarHBondContact NZ-OE2 2.81Å; K50-L63 CarbonylContact C-O 3.51Å; K50-L63 WeakPolarHBondContact CA-O 3.05Å; K50-N64 WeakPolarHBondContact CE-ND2 3.48Å; K50-N64 HydrophobicContact CG-CB 4.34Å
51	I	93.3	Very high	90	Very high	3 Å²	3	47.8 Å²	47.8	2%	0.015	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	126.6	168.6	-58.3	178.4	0	0	0	108.3	Q40 V41 V42 K62 L63 L65 W82 L90 L104	Q40-I51 HydrophobicContact CB-CG2 4.31Å; V41-I51 WeakPolarHBondContact O-CA 3.31Å; V42-I51 HydrophobicContact CB-CG1 4.22Å; V42-I51 HydrophobicContact CG2-CG1 4.03Å; I51-K62 PolarHBondContact O-N 2.87Å; I51-L63 HydrophobicContact CB-CB 4.33Å; I51-L63 HydrophobicContact CD1-CB 4.44Å; I51-L63 HydrophobicContact CD1-CD2 4.3Å; I51-L63 PolarHBondContact N-O 3.38Å; I51-L63 PolarHBondContact O-N 2.77Å; I51-L65 HydrophobicContact CD1-CD1 4.16Å; I51-L65 HydrophobicContact CG1-CD1 4.31Å; I51-W82 HydrophobicContact CD1-CH2 4.08Å; I51-W82 HydrophobicContact CG2-CH2 3.78Å; I51-W82 HydrophobicContact CG2-CZ3 4.01Å; I51-L90 HydrophobicContact CD1-CD1 4.2Å; I51-L104 HydrophobicContact CD1-CD1 3.65Å; I51-L104 HydrophobicContact CD1-CD2 3.74Å; I51-L104 HydrophobicContact CD1-CG 4.37Å
52	Y	94.2	Very high	89.8	Confident	11 Å²	11	53.7 Å²	53.7	4%	0.043	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	139.4	172.2	-62.2	-94.1	0	0	0	109.7	L25 Q40 V41 V43 K50 F59 V60 E61 L323	L25-Y52 HydrophobicContact CD2-CE2 3.77Å; L25-Y52 WeakPolarHBondContact CD2-OH 3.25Å; Q40-Y52 WeakPolarHBondContact CA-O 3.05Å; V41-Y52 PolarHBondContact N-O 3.05Å; V41-Y52 PolarHBondContact O-N 2.86Å; V43-Y52 HydrophobicContact CB-CE2 4.45Å; V43-Y52 HydrophobicContact CG2-CD2 4.02Å; V43-Y52 HydrophobicContact CG2-CE2 4.14Å; K50-Y52 HydrophobicContact CB-CD2 4.32Å; K50-Y52 HydrophobicContact CB-CE2 3.67Å; K50-Y52 HydrophobicContact CD-CE2 4.24Å; K50-Y52 VanDerWaalsContact CD-OH 3.3Å; K50-Y52 WeakPolarHBondContact CD-OH 3.42Å; Y52-F59 HydrophobicContact CD1-CB 4.17Å; Y52-V60 CarbonylContact C-O 3.48Å; Y52-V60 VanDerWaalsContact CA-O 3.29Å; Y52-V60 WeakPolarHBondContact CA-O 3.38Å; Y52-E61 HydrophobicContact CD1-CB 4.06Å; Y52-E61 HydrophobicContact CE1-CB 3.92Å; Y52-L323 HydrophobicContact CD2-CD2 4.28Å
53	A	93	Very high	89.5	Confident	2 Å²	2	56.4 Å²	56.4	2%	0.017	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	147.3	164.2	0	0	0	0	0	110.8	A39 E55 F59 V60 K62	A39-A53 WeakPolarHBondContact O-CA 3.34Å; A53-E55 HydrophobicContact CB-CG 4.49Å; A53-F59 WeakPolarHBondContact O-CA 3.47Å; A53-V60 PolarHBondContact N-O 3.41Å; A53-V60 PolarHBondContact O-N 2.78Å; A53-V60 VanDerWaalsContact O-N 3.08Å; A53-K62 HydrophobicContact CB-CD 3.71Å; A53-K62 HydrophobicContact CB-CG 4.04Å
54	L	90.4	Very high	89.2	Confident	24 Å²	24	58.9 Å²	58.9	13%	0.126	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	90.4	176.7	-59.8	171.3	0	0	0	107.8	V34 A38 A39 V41 F59 R306 L315	V34-L54 HydrophobicContact CG1-CD1 4.4Å; A38-L54 WeakPolarHBondContact O-CD1 3.26Å; A39-L54 PolarHBondContact O-N 2.63Å; V41-L54 HydrophobicContact CG1-CD2 3.92Å; V41-L54 HydrophobicContact CG1-CG 4.34Å; L54-F59 HydrophobicContact CD2-CD1 3.66Å; L54-F59 HydrophobicContact CD2-CE1 3.3Å; L54-F59 HydrophobicContact CD2-CZ 4.19Å; L54-R306 HydrophobicContact CD1-CG 4.23Å; L54-L315 HydrophobicContact CD1-CD1 4.17Å; L54-L315 HydrophobicContact CD2-CD1 4.46Å; L54-L315 HydrophobicContact CD2-CD2 4.49Å
55	E	87.4	Confident	88.7	Confident	80 Å²	80	59.6 Å²	59.6	37%	0.374	28%	0.279	S	S	.	.			trans	-90.9	170	174.8	-61.6	-176.1	179	0	0	110	A53 E57 Q58 V60	A53-E55 HydrophobicContact CB-CG 4.49Å; E55-E57 VanDerWaalsContact C-N 3.26Å; E55-E57 PolarHBondContact O-N 3.39Å; E55-Q58 HydrophobicContact CB-CG 4.45Å; E55-Q58 PolarHBondContact N-O 3.25Å; E55-Q58 VanDerWaalsContact N-O 3.1Å; E55-V60 VanDerWaalsContact CD-CG2 3.47Å; E55-V60 HydrophobicContact CG-CG2 4.23Å; E55-V60 VanDerWaalsContact OE2-CG2 3.26Å; E55-V60 WeakPolarHBondContact OE2-CG2 3.45Å
56	E	78.3	Confident	88.1	Confident	170 Å²	170	64.2 Å²	64.2	79%	0.794	30%	0.295	S	S	*	.	S	Bend	trans	-63.5	-28.2	-166.4	-62.3	-166.2	152.7	0	0	114.4	M21	M21-E56 VanDerWaalsContact CE-O 3.25Å; M21-E56 WeakPolarHBondContact CE-O 3.39Å
57	E	80.8	Confident	87	Confident	165 Å²	165	59.4 Å²	59.4	77%	0.771	29%	0.286	S	S	*	.	S	Bend	trans	-123.3	-8	-179.1	-60.2	-163.2	134.2	0	0	114.7	M21 E55	M21-E57 VanDerWaalsContact CE-C 3.5Å; E55-E57 VanDerWaalsContact C-N 3.26Å; E55-E57 PolarHBondContact O-N 3.39Å
58	Q	88.1	Confident	85.3	Confident	108 Å²	108	57.6 Å²	57.6	51%	0.505	29%	0.286	S	S	.	.			trans	-155.4	161	-171.6	62.4	175.1	5.3	0	0	114.6	E55 V60	E55-Q58 HydrophobicContact CB-CG 4.45Å; E55-Q58 PolarHBondContact N-O 3.25Å; E55-Q58 VanDerWaalsContact N-O 3.1Å; Q58-V60 HydrophobicContact CG-CG2 3.99Å
59	F	91.4	Very high	83.2	Confident	18 Å²	18	69.8 Å²	69.8	8%	0.079	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	126.1	165.3	-66	-93.3	0	0	0	110.5	M21 C23 V41 Y52 A53 L54 L323 Q325	M21-F59 HydrophobicContact CG-CD2 4.5Å; M21-F59 HydrophobicContact CG-CE2 3.89Å; M21-F59 HydrophobicContact SD-CD2 4.32Å; M21-F59 HydrophobicContact SD-CE2 4.13Å; C23-F59 HydrophobicContact CB-CB 3.96Å; C23-F59 HydrophobicContact CB-CD2 3.94Å; C23-F59 HydrophobicContact CB-CG 4.22Å; V41-F59 HydrophobicContact CG1-CD1 4.32Å; V41-F59 HydrophobicContact CG1-CE1 4.18Å; Y52-F59 HydrophobicContact CD1-CB 4.17Å; A53-F59 WeakPolarHBondContact O-CA 3.47Å; L54-F59 HydrophobicContact CD2-CD1 3.66Å; L54-F59 HydrophobicContact CD2-CE1 3.3Å; L54-F59 HydrophobicContact CD2-CZ 4.19Å; F59-L323 HydrophobicContact CD1-CD2 3.52Å; F59-L323 HydrophobicContact CD1-CG 4.35Å; F59-L323 HydrophobicContact CE1-CD2 3.33Å; F59-L323 HydrophobicContact CE1-CG 3.75Å; F59-L323 HydrophobicContact CG-CD2 4.29Å; F59-L323 HydrophobicContact CZ-CD2 3.98Å; F59-L323 HydrophobicContact CZ-CG 3.9Å; F59-Q325 HydrophobicContact CE2-CB 4.36Å; F59-Q325 HydrophobicContact CZ-CB 3.79Å
60	V	92.5	Very high	81	Confident	40 Å²	40	78.2 Å²	78.2	24%	0.242	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	120.2	176.7	177.9	0	0	0	0	110.6	Y52 A53 E55 Q58 K62	Y52-V60 CarbonylContact C-O 3.48Å; Y52-V60 VanDerWaalsContact CA-O 3.29Å; Y52-V60 WeakPolarHBondContact CA-O 3.38Å; A53-V60 PolarHBondContact N-O 3.41Å; A53-V60 PolarHBondContact O-N 2.78Å; A53-V60 VanDerWaalsContact O-N 3.08Å; E55-V60 VanDerWaalsContact CD-CG2 3.47Å; E55-V60 HydrophobicContact CG-CG2 4.23Å; E55-V60 VanDerWaalsContact OE2-CG2 3.26Å; E55-V60 WeakPolarHBondContact OE2-CG2 3.45Å; Q58-V60 HydrophobicContact CG-CG2 3.99Å; V60-K62 PolarHBondContact O-N 3.37Å
61	E	92.5	Very high	79.2	Confident	87 Å²	87	82.1 Å²	82.1	41%	0.407	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	118.7	174.1	-177.7	176.4	172.7	0	0	110.3	K50 Y52	K50-E61 HydrophobicContact CD-CG 4.26Å; K50-E61 WeakPolarHBondContact CD-OE1 3.32Å; K50-E61 VanDerWaalsContact CE-CD 3.44Å; K50-E61 WeakPolarHBondContact CE-OE1 3.07Å; K50-E61 VanDerWaalsContact CE-OE2 3.32Å; K50-E61 WeakPolarHBondContact CE-OE2 3.37Å; K50-E61 VanDerWaalsContact NZ-CD 3.34Å; K50-E61 IonicContact NZ-OE1 3.95Å; K50-E61 PolarHBondContact NZ-OE1 3.08Å; K50-E61 IonicContact NZ-OE2 2.86Å; K50-E61 PolarHBondContact NZ-OE2 2.81Å; Y52-E61 HydrophobicContact CD1-CB 4.06Å; Y52-E61 HydrophobicContact CE1-CB 3.92Å
62	K	90.1	Very high	77.1	Confident	124 Å²	124	84.2 Å²	84.2	54%	0.539	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	-30.9	177.5	-73.8	-162.3	174.9	164.9	0	113.8	I51 A53 V60	I51-K62 PolarHBondContact O-N 2.87Å; A53-K62 HydrophobicContact CB-CD 3.71Å; A53-K62 HydrophobicContact CB-CG 4.04Å; V60-K62 PolarHBondContact O-N 3.37Å
63	L	87.6	Confident	75	Confident	56 Å²	56	90.3 Å²	90.3	29%	0.293	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	128.5	-178.5	-170.8	64.6	0	0	0	112.9	K50 I51 L65 L104 K111	K50-L63 CarbonylContact C-O 3.51Å; K50-L63 WeakPolarHBondContact CA-O 3.05Å; I51-L63 HydrophobicContact CB-CB 4.33Å; I51-L63 HydrophobicContact CD1-CB 4.44Å; I51-L63 HydrophobicContact CD1-CD2 4.3Å; I51-L63 PolarHBondContact N-O 3.38Å; I51-L63 PolarHBondContact O-N 2.77Å; L63-L65 HydrophobicContact CD2-CD2 3.59Å; L63-L65 HydrophobicContact CD2-CG 4.15Å; L63-L65 HydrophobicContact CG-CD2 4.13Å; L63-L65 HydrophobicContact CG-CG 4.33Å; L63-L104 HydrophobicContact CD2-CD2 4.01Å; L63-K111 HydrophobicContact CD2-CG 4.41Å
64	N	87.6	Confident	73.1	Confident	52 Å²	52	95 Å²	95	28%	0.278	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	115.9	166.5	-169.2	-36.6	0	0	0	109.5	K50 R66 V67	K50-N64 WeakPolarHBondContact CE-ND2 3.48Å; K50-N64 HydrophobicContact CG-CB 4.34Å; N64-R66 VanDerWaalsContact OD1-CB 3.3Å; N64-R66 WeakPolarHBondContact OD1-CB 3.44Å; N64-R66 PolarHBondContact OD1-N 2.89Å; N64-V67 HydrophobicContact CB-CG2 4.18Å
65	L	83.6	Confident	71.8	Confident	16 Å²	16	96.9 Å²	96.9	8%	0.084	48%	0.475	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-5.1	-176.2	-73.4	171.8	0	0	0	113.3	F49 I51 L63 V67 L90 L104 K111	F49-L65 HydrophobicContact CD1-CB 3.38Å; F49-L65 HydrophobicContact CD1-CD1 4.24Å; F49-L65 HydrophobicContact CD1-CG 4.46Å; F49-L65 HydrophobicContact CD2-CD1 4.35Å; F49-L65 HydrophobicContact CE1-CB 3.51Å; F49-L65 HydrophobicContact CE1-CD1 3.67Å; F49-L65 HydrophobicContact CE1-CG 4.22Å; F49-L65 HydrophobicContact CE2-CD1 3.81Å; F49-L65 HydrophobicContact CG-CB 3.92Å; F49-L65 HydrophobicContact CZ-CB 4.15Å; F49-L65 HydrophobicContact CZ-CD1 3.43Å; F49-L65 VanDerWaalsContact CZ-CD1 3.43Å; F49-L65 HydrophobicContact CZ-CG 4.44Å; F49-L65 PolarHBondContact O-N 3.4Å; I51-L65 HydrophobicContact CD1-CD1 4.16Å; I51-L65 HydrophobicContact CG1-CD1 4.31Å; L63-L65 HydrophobicContact CD2-CD2 3.59Å; L63-L65 HydrophobicContact CD2-CG 4.15Å; L63-L65 HydrophobicContact CG-CD2 4.13Å; L63-L65 HydrophobicContact CG-CG 4.33Å; L65-V67 PolarHBondContact O-N 3.42Å; L65-L90 HydrophobicContact CD1-CD1 3.74Å; L65-L104 HydrophobicContact CD1-CD2 4.23Å; L65-L104 HydrophobicContact CD2-CD2 4.04Å; L65-K111 HydrophobicContact CD2-CB 3.79Å; L65-K111 HydrophobicContact CD2-CG 3.76Å
66	R	77.3	Confident	71.5	Confident	100 Å²	100	93.7 Å²	93.7	38%	0.377	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	1.7	179.7	-149.7	178	-173.2	-157.9	-0	113.8	R46 N47 N64 G68	R46-R66 PolarHBondContact O-NH2 3.45Å; N47-R66 PolarHBondContact O-NH1 3Å; N47-R66 PolarHBondContact OD1-NH1 2.82Å; N47-R66 VanDerWaalsContact OD1-NH1 3.12Å; N47-R66 PolarHBondContact OD1-NH2 3.13Å; N64-R66 VanDerWaalsContact OD1-CB 3.3Å; N64-R66 WeakPolarHBondContact OD1-CB 3.44Å; N64-R66 PolarHBondContact OD1-N 2.89Å; R66-G68 PolarHBondContact O-N 3.36Å
67	V	61.6	Low	71.9	Confident	81 Å²	81	86 Å²	86	49%	0.491	43%	0.426	S	S	.	.			trans	-89.1	97.1	-167.8	-175.3	0	0	0	0	112.6	N64 L65	N64-V67 HydrophobicContact CB-CG2 4.18Å; L65-V67 PolarHBondContact O-N 3.42Å
68	G	50.8	Low	72.3	Confident	44 Å²	44	79.1 Å²	79.1	45%	0.454	40%	0.398	S	S	.	.	S	Bend	trans	-153.8	159.4	175.9	0	0	0	0	0	114	R66 K70 P71	R66-G68 PolarHBondContact O-N 3.36Å; G68-K70 PolarHBondContact O-N 3.09Å; G68-K70 VanDerWaalsContact O-N 3.11Å; G68-P71 WeakPolarHBondContact O-CD 3.42Å
69	R	43.9	Very low	72.6	Confident	262 Å²	262	74.2 Å²	74.2	99%	0.989	38%	0.375	S	S	*	.	S	Bend	trans	-67.2	-7	-177.8	-89.8	-170.2	175	-171.8	-0.9	115.4
70	K	45.8	Very low	72.8	Confident	189 Å²	189	73.4 Å²	73.4	82%	0.822	37%	0.372	S	S	*	.	S	Bend	trans	-135.7	94.2	161.9	-71.7	-171.4	177.5	-174.1	0	107.4	G68 S72	G68-K70 PolarHBondContact O-N 3.09Å; G68-K70 VanDerWaalsContact O-N 3.11Å; K70-S72 PolarHBondContact O-N 2.69Å
71	P	52.2	Low	72.9	Confident	93 Å²	93	73.3 Å²	73.3	60%	0.604	37%	0.369	S	S	*	.			trans	-76.3	73.4	171.3	32.2	-32.3	0	0	0	108.4	G68 L73	G68-P71 WeakPolarHBondContact O-CD 3.42Å; P71-L73 PolarHBondContact O-N 3.37Å; P71-L73 VanDerWaalsContact O-N 3.13Å
72	S	49.7	Very low	73	Confident	47 Å²	47	69.2 Å²	69.2	33%	0.329	35%	0.35	S	S	.	.			trans	-65.4	114.3	-177.1	55.9	0	0	0	0	110.3	K70 N74 F75	K70-S72 PolarHBondContact O-N 2.69Å; S72-N74 PolarHBondContact O-N 3.14Å; S72-F75 PolarHBondContact O-N 3.3Å; S72-F75 VanDerWaalsContact OG-CD2 3.28Å; S72-F75 WeakPolarHBondContact OG-CD2 3.43Å; S72-F75 VanDerWaalsContact OG-CE2 3.32Å; S72-F75 WeakPolarHBondContact OG-CE2 3.29Å
73	L	50	Low	73.1	Confident	138 Å²	138	63.3 Å²	63.3	72%	0.723	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-51.7	-20.9	175.9	-70.9	158	0	0	0	113.1	P71 F75	P71-L73 PolarHBondContact O-N 3.37Å; P71-L73 VanDerWaalsContact O-N 3.13Å; L73-F75 PolarHBondContact O-N 2.8Å; L73-F75 VanDerWaalsContact O-N 3.09Å
74	N	53.2	Low	73	Confident	102 Å²	102	63.1 Å²	63.1	55%	0.545	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-49.6	-29.1	177.6	-49.7	28.3	0	0	0	114.7	S72 N96	S72-N74 PolarHBondContact O-N 3.14Å; N74-N96 VanDerWaalsContact O-CB 3.32Å; N74-N96 WeakPolarHBondContact O-CB 3.18Å; N74-N96 PolarHBondContact O-ND2 3.46Å; N74-N96 PolarHBondContact O-OD1 2.82Å
75	F	64.4	Low	72.9	Confident	62 Å²	62	64.8 Å²	64.8	27%	0.272	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-105.1	43.9	-174.5	-54	-60	0	0	0	114.1	S72 L73 C77 A94 N96 A98 V100 L115	S72-F75 PolarHBondContact O-N 3.3Å; S72-F75 VanDerWaalsContact OG-CD2 3.28Å; S72-F75 WeakPolarHBondContact OG-CD2 3.43Å; S72-F75 VanDerWaalsContact OG-CE2 3.32Å; S72-F75 WeakPolarHBondContact OG-CE2 3.29Å; L73-F75 PolarHBondContact O-N 2.8Å; L73-F75 VanDerWaalsContact O-N 3.09Å; F75-C77 PolarHBondContact O-N 3.42Å; F75-A94 HydrophobicContact CB-CB 4.38Å; F75-A94 HydrophobicContact CD1-CB 4.08Å; F75-N96 WeakPolarHBondContact CE1-ND2 3.46Å; F75-A98 HydrophobicContact CD1-CB 3.81Å; F75-A98 HydrophobicContact CE1-CB 3.52Å; F75-V100 HydrophobicContact CD1-CG2 4.44Å; F75-L115 HydrophobicContact CE1-CD1 4.03Å; F75-L115 HydrophobicContact CZ-CD1 4.12Å; F75-L115 HydrophobicContact CZ-CD2 4.48Å
76	S	80.7	Confident	72.9	Confident	14 Å²	14	67.4 Å²	67.4	10%	0.098	34%	0.341	C	S	.	.			trans	-56	120.9	165.7	163.8	0	0	0	0	109.5	R46 A94 T95	R46-S76 WeakPolarHBondContact CA-OG 3.47Å; S76-A94 WeakPolarHBondContact O-CA 3.49Å; S76-T95 WeakPolarHBondContact CB-OG1 3.44Å; S76-T95 PolarHBondContact O-N 2.94Å; S76-T95 PolarHBondContact O-OG1 2.94Å
77	C	85.9	Confident	73.4	Confident	7 Å²	7	66.5 Å²	66.5	5%	0.047	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	123.9	-173.7	-67.6	0	0	0	0	110.9	N30 A44 G45 F75 A93	N30-C77 PolarHBondContact ND2-O 3.29Å; A44-C77 HydrophobicContact CB-CB 3.79Å; G45-C77 PolarHBondContact O-N 3.02Å; G45-C77 VanDerWaalsContact O-N 3.15Å; F75-C77 PolarHBondContact O-N 3.42Å; C77-A93 CarbonylContact C-O 3.6Å; C77-A93 WeakPolarHBondContact CA-O 3.3Å
78	A	90.4	Very high	74.7	Confident	22 Å²	22	66 Å²	66	18%	0.182	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	-34.4	171.4	0	0	0	0	0	111.6	A93 T95 V123	A78-A93 PolarHBondContact N-O 2.86Å; A78-T95 HydrophobicContact CB-CG2 4.28Å; A78-V123 WeakPolarHBondContact CB-O 3.5Å
79	D	94.3	Very high	76.7	Confident	4 Å²	4	64.5 Å²	64.5	2%	0.021	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	151.4	-178.4	-162.4	54.1	0	0	0	111.1	T92 A93 K125 V126 R256	D79-T92 WeakPolarHBondContact O-CA 3.29Å; D79-A93 HydrophobicContact CB-CB 3.81Å; D79-A93 PolarHBondContact O-N 2.98Å; D79-K125 IonicContact OD1-NZ 3.37Å; D79-K125 PolarHBondContact OD1-NZ 3.5Å; D79-K125 WeakPolarHBondContact OD2-CA 3.11Å; D79-K125 WeakPolarHBondContact OD2-CD 3.47Å; D79-K125 WeakPolarHBondContact OD2-CG 3.43Å; D79-K125 IonicContact OD2-NZ 3.82Å; D79-K125 PolarHBondContact OD2-NZ 3.44Å; D79-V126 HydrophobicContact CB-CG2 4.43Å; D79-V126 PolarHBondContact OD2-N 2.88Å; D79-R256 IonicContact OD1-NH2 2.84Å
80	V	94.7	Very high	79	Confident	1 Å²	1	52 Å²	52	1%	0.006	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	141.4	174.8	63.5	0	0	0	0	109.8	A31 V42 A44 F49 A91 T92	A31-V80 HydrophobicContact CB-CG1 4Å; V42-V80 HydrophobicContact CG1-CG1 4.11Å; V42-V80 HydrophobicContact CG1-CG2 3.63Å; V42-V80 HydrophobicContact CG2-CG2 4.15Å; A44-V80 HydrophobicContact CB-CB 3.75Å; A44-V80 HydrophobicContact CB-CG1 3.71Å; A44-V80 HydrophobicContact CB-CG2 4.38Å; F49-V80 HydrophobicContact CE2-CG2 4.27Å; V80-A91 WeakPolarHBondContact CA-O 3.3Å; V80-T92 HydrophobicContact CB-CG2 4.27Å; V80-T92 HydrophobicContact CG2-CG2 3.9Å
81	M	94.9	Very high	81.3	Confident	39 Å²	39	43 Å²	43	19%	0.192	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	128.2	175.9	-168.4	59.6	59.8	0	0	110.3	A91 V126 F128	M81-A91 PolarHBondContact N-O 3.07Å; M81-A91 PolarHBondContact O-N 3.01Å; M81-V126 HydrophobicContact CB-CG2 4.22Å; M81-F128 HydrophobicContact CB-CD2 4.24Å; M81-F128 HydrophobicContact CB-CE2 4.47Å; M81-F128 HydrophobicContact CG-CD2 3.82Å; M81-F128 HydrophobicContact CG-CE2 4.49Å; M81-F128 WeakPolarHBondContact O-CE2 3.44Å
82	W	94.3	Very high	83.2	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	134.6	167	-150.7	-53.3	0	0	0	109.1	S33 V34 C35 Q40 V42 I51 Q84 E87 L90 L104	S33-W82 PolarHBondContact OG-N 2.75Å; V34-W82 WeakPolarHBondContact O-CB 3.4Å; C35-W82 HydrophobicContact CB-CD2 3.71Å; C35-W82 HydrophobicContact CB-CE3 4Å; C35-W82 HydrophobicContact CB-CG 4.27Å; C35-W82 HydrophobicContact CB-CH2 4.11Å; C35-W82 HydrophobicContact CB-CZ2 3.81Å; C35-W82 HydrophobicContact CB-CZ3 4.19Å; Q40-W82 HydrophobicContact CB-CH2 3.57Å; Q40-W82 HydrophobicContact CB-CZ2 4.39Å; Q40-W82 HydrophobicContact CB-CZ3 3.86Å; Q40-W82 HydrophobicContact CG-CH2 4.47Å; V42-W82 HydrophobicContact CB-CE3 3.92Å; V42-W82 HydrophobicContact CB-CZ3 3.91Å; V42-W82 HydrophobicContact CG1-CE3 3.79Å; V42-W82 HydrophobicContact CG1-CZ3 4.32Å; I51-W82 HydrophobicContact CD1-CH2 4.08Å; I51-W82 HydrophobicContact CG2-CH2 3.78Å; I51-W82 HydrophobicContact CG2-CZ3 4.01Å; W82-Q84 PolarHBondContact O-N 3.34Å; W82-Q84 PolarHBondContact O-NE2 2.99Å; W82-E87 PolarHBondContact NE1-O 3.37Å; W82-L90 HydrophobicContact CB-CD2 3.97Å; W82-L90 HydrophobicContact CD2-CD2 3.34Å; W82-L90 HydrophobicContact CE3-CD2 3.82Å; W82-L90 HydrophobicContact CG-CD2 3.44Å; W82-L90 VanDerWaalsContact CG-CD2 3.44Å; W82-L90 HydrophobicContact CZ2-CD2 4.23Å; W82-L90 HydrophobicContact CZ3-CD2 4.42Å; W82-L104 HydrophobicContact CH2-CD1 4.26Å; W82-L104 HydrophobicContact CZ2-CD1 3.76Å
83	H	91.8	Very high	85.3	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.187	C	C	.	.			trans	-64.2	128	176.5	-169.9	-67.9	0	0	0	111.3	M85 E86 L89 F128 A133	H83-M85 PolarHBondContact CE1-N 3.01Å; H83-M85 PolarHBondContact ND1-N 3.29Å; H83-M85 PolarHBondContact O-N 2.76Å; H83-E86 PolarHBondContact ND1-N 2.98Å; H83-L89 HydrophobicContact CB-CB 3.78Å; H83-L89 HydrophobicContact CB-CD2 4.16Å; H83-L89 HydrophobicContact CB-CG 3.93Å; H83-L89 WeakPolarHBondContact CB-O 3.44Å; H83-L89 PolarHBondContact N-O 2.83Å; H83-F128 VanDerWaalsContact CA-CD2 3.47Å; H83-F128 HydrophobicContact CB-CD2 3.85Å; H83-F128 HydrophobicContact CB-CE2 3.71Å; H83-F128 HydrophobicContact CB-CG 4.37Å; H83-F128 HydrophobicContact CB-CZ 4.14Å; H83-F128 AromaticContact CD2-CD1 3.43Å; H83-F128 VanDerWaalsContact CD2-CD1 3.43Å; H83-F128 WeakPolarHBondContact CD2-CD1 3.39Å; H83-F128 AromaticContact CD2-CD2 3.9Å; H83-F128 AromaticContact CD2-CE1 3.7Å; H83-F128 AromaticContact CD2-CG 3.53Å; H83-A133 WeakPolarHBondContact NE2-CA 3.47Å; H83-A133 PolarHBondContact NE2-O 3.42Å
84	Q	86.1	Confident	87.3	Confident	53 Å²	53	29.9 Å²	29.9	25%	0.248	15%	0.153	C	C	.	.	S	Bend	trans	-78	-16.5	-170	-62.6	-62.8	-73.5	0	0	114.3	R36 W82	R36-Q84 WeakPolarHBondContact CB-O 3.4Å; R36-Q84 WeakPolarHBondContact CD-O 3.13Å; R36-Q84 WeakPolarHBondContact CG-O 3.13Å; W82-Q84 PolarHBondContact O-N 3.34Å; W82-Q84 PolarHBondContact O-NE2 2.99Å
85	M	84.3	Confident	89.1	Confident	86 Å²	86	27.8 Å²	27.8	42%	0.424	14%	0.144	S	C	.	.	S	Bend	trans	-101.8	-55.9	172.6	-49	-178	76.2	0	0	113.6	R36 H83	R36-M85 PolarHBondContact NH1-O 3.22Å; H83-M85 PolarHBondContact CE1-N 3.01Å; H83-M85 PolarHBondContact ND1-N 3.29Å; H83-M85 PolarHBondContact O-N 2.76Å
86	E	85.6	Confident	90.2	Very high	72 Å²	72	28.1 Å²	28.1	34%	0.336	15%	0.148	S	C	.	.			trans	-85.7	123.1	176.7	-60.9	-168.3	-179.5	0	0	113.8	H83 N88 L89	H83-E86 PolarHBondContact ND1-N 2.98Å; E86-N88 VanDerWaalsContact C-N 3.32Å; E86-N88 PolarHBondContact O-N 2.93Å; E86-L89 HydrophobicContact CB-CB 4.24Å
87	E	85.8	Confident	90.6	Very high	81 Å²	81	27.5 Å²	27.5	38%	0.379	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-34.1	175.7	173.2	179.3	176.8	0	0	113.1	Q40 W82 L89	Q40-E87 PolarHBondContact NE2-OE1 2.75Å; W82-E87 PolarHBondContact NE1-O 3.37Å; E87-L89 VanDerWaalsContact C-N 3.28Å; E87-L89 PolarHBondContact O-N 3Å
88	N	89.7	Confident	90.9	Very high	71 Å²	71	27.1 Å²	27.1	38%	0.38	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	1.1	-171.9	-78.2	-68.7	0	0	0	114.6	E86 N103 L104 G105	E86-N88 VanDerWaalsContact C-N 3.32Å; E86-N88 PolarHBondContact O-N 2.93Å; N88-N103 CarbonylContact O-C 3.52Å; N88-N103 WeakPolarHBondContact O-CA 3.43Å; N88-L104 HydrophobicContact CB-CB 4.44Å; N88-L104 PolarHBondContact O-N 3Å; N88-G105 PolarHBondContact OD1-N 3.49Å; N88-G105 VanDerWaalsContact OD1-N 3.13Å
89	L	92.2	Very high	91	Very high	12 Å²	12	26.1 Å²	26.1	6%	0.063	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	126.8	-168	180	59.2	0	0	0	112.6	H83 E86 E87 W102 F128 L150	H83-L89 HydrophobicContact CB-CB 3.78Å; H83-L89 HydrophobicContact CB-CD2 4.16Å; H83-L89 HydrophobicContact CB-CG 3.93Å; H83-L89 WeakPolarHBondContact CB-O 3.44Å; H83-L89 PolarHBondContact N-O 2.83Å; E86-L89 HydrophobicContact CB-CB 4.24Å; E87-L89 VanDerWaalsContact C-N 3.28Å; E87-L89 PolarHBondContact O-N 3Å; L89-W102 WeakPolarHBondContact CA-O 3.46Å; L89-F128 HydrophobicContact CD2-CE1 4.41Å; L89-F128 HydrophobicContact CD2-CZ 4.41Å; L89-F128 HydrophobicContact CG-CZ 4.05Å; L89-L150 HydrophobicContact CD1-CD1 4.37Å; L89-L150 HydrophobicContact CD2-CD1 3.73Å
90	L	93.1	Very high	90.8	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	154.2	173.8	-50.8	176	0	0	0	111	V42 I51 L65 W82 T101 W102 L104	V42-L90 HydrophobicContact CG1-CD2 4.34Å; V42-L90 HydrophobicContact CG2-CD1 4.16Å; I51-L90 HydrophobicContact CD1-CD1 4.2Å; L65-L90 HydrophobicContact CD1-CD1 3.74Å; W82-L90 HydrophobicContact CB-CD2 3.97Å; W82-L90 HydrophobicContact CD2-CD2 3.34Å; W82-L90 HydrophobicContact CE3-CD2 3.82Å; W82-L90 HydrophobicContact CG-CD2 3.44Å; W82-L90 VanDerWaalsContact CG-CD2 3.44Å; W82-L90 HydrophobicContact CZ2-CD2 4.23Å; W82-L90 HydrophobicContact CZ3-CD2 4.42Å; L90-T101 VanDerWaalsContact O-CA 3.28Å; L90-T101 WeakPolarHBondContact O-CA 3.28Å; L90-W102 HydrophobicContact CB-CB 4.21Å; L90-W102 PolarHBondContact N-O 2.83Å; L90-W102 PolarHBondContact O-N 2.94Å; L90-L104 HydrophobicContact CD1-CD1 4.38Å; L90-L104 HydrophobicContact CD1-CD2 4.04Å; L90-L104 HydrophobicContact CG-CD1 4.36Å
91	A	93.8	Very high	90.7	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	143.9	164	0	0	0	0	0	111.1	V80 M81 V100 T101 V126 F128 L136	V80-A91 WeakPolarHBondContact CA-O 3.3Å; M81-A91 PolarHBondContact N-O 3.07Å; M81-A91 PolarHBondContact O-N 3.01Å; A91-V100 WeakPolarHBondContact CA-O 3.43Å; A91-T101 HydrophobicContact CB-CG2 4.49Å; A91-V126 HydrophobicContact CB-CG2 4.4Å; A91-F128 HydrophobicContact CB-CE1 4.18Å; A91-F128 HydrophobicContact CB-CE2 3.71Å; A91-F128 HydrophobicContact CB-CZ 3.44Å; A91-F128 VanDerWaalsContact CB-CZ 3.44Å; A91-L136 HydrophobicContact CB-CD1 3.75Å; A91-L136 HydrophobicContact CB-CD2 3.83Å; A91-L136 HydrophobicContact CB-CG 4.49Å
92	T	93.2	Very high	90.5	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.012	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	133.9	174.7	51.3	0	0	0	0	111.1	F49 D79 V80 V100 W102	F49-T92 HydrophobicContact CE1-CG2 4.14Å; F49-T92 HydrophobicContact CE2-CG2 3.77Å; F49-T92 HydrophobicContact CZ-CG2 3.45Å; F49-T92 VanDerWaalsContact CZ-CG2 3.45Å; D79-T92 WeakPolarHBondContact O-CA 3.29Å; V80-T92 HydrophobicContact CB-CG2 4.27Å; V80-T92 HydrophobicContact CG2-CG2 3.9Å; T92-V100 PolarHBondContact N-O 3.46Å; T92-V100 PolarHBondContact O-N 2.84Å; T92-V100 VanDerWaalsContact O-N 3.09Å; T92-V100 PolarHBondContact OG1-O 2.96Å; T92-W102 PolarHBondContact OG1-NE1 3.04Å
93	A	93.4	Very high	90.3	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	124	168.2	0	0	0	0	0	109.8	C77 A78 D79 V123 V126	C77-A93 CarbonylContact C-O 3.6Å; C77-A93 WeakPolarHBondContact CA-O 3.3Å; A78-A93 PolarHBondContact N-O 2.86Å; D79-A93 HydrophobicContact CB-CB 3.81Å; D79-A93 PolarHBondContact O-N 2.98Å; A93-V123 HydrophobicContact CB-CB 3.84Å; A93-V123 HydrophobicContact CB-CG1 3.62Å; A93-V126 HydrophobicContact CB-CG1 4.02Å; A93-V126 HydrophobicContact CB-CG2 4.1Å
94	A	91.9	Very high	90.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	148.7	178.8	0	0	0	0	0	112.9	F75 S76 N96 G97 A98 V123	F75-A94 HydrophobicContact CB-CB 4.38Å; F75-A94 HydrophobicContact CD1-CB 4.08Å; S76-A94 WeakPolarHBondContact O-CA 3.49Å; A94-N96 WeakPolarHBondContact CB-OD1 3.09Å; A94-N96 PolarHBondContact O-N 2.85Å; A94-N96 VanDerWaalsContact O-N 3.15Å; A94-G97 PolarHBondContact O-N 3.01Å; A94-A98 HydrophobicContact CB-CB 4.12Å; A94-A98 WeakPolarHBondContact CB-O 3.43Å; A94-A98 PolarHBondContact N-O 2.81Å; A94-V123 PolarHBondContact O-N 3.36Å
95	T	89.8	Confident	90.2	Very high	58 Å²	58	28.6 Å²	28.6	36%	0.356	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-13.9	178.9	53.9	0	0	0	0	114.1	S76 A78 T122	S76-T95 WeakPolarHBondContact CB-OG1 3.44Å; S76-T95 PolarHBondContact O-N 2.94Å; S76-T95 PolarHBondContact O-OG1 2.94Å; A78-T95 HydrophobicContact CB-CG2 4.28Å; T95-T122 HydrophobicContact CG2-CG2 4.45Å; T95-T122 WeakPolarHBondContact O-CA 3.49Å; T95-T122 WeakPolarHBondContact O-CG2 3.49Å
96	N	88.4	Confident	90.3	Very high	68 Å²	68	27.7 Å²	27.7	36%	0.364	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	9.1	177	72.5	-26	0	0	0	114.6	N74 F75 A94 A98	N74-N96 VanDerWaalsContact O-CB 3.32Å; N74-N96 WeakPolarHBondContact O-CB 3.18Å; N74-N96 PolarHBondContact O-ND2 3.46Å; N74-N96 PolarHBondContact O-OD1 2.82Å; F75-N96 WeakPolarHBondContact CE1-ND2 3.46Å; A94-N96 WeakPolarHBondContact CB-OD1 3.09Å; A94-N96 PolarHBondContact O-N 2.85Å; A94-N96 VanDerWaalsContact O-N 3.15Å; N96-A98 VanDerWaalsContact OD1-CB 3.31Å; N96-A98 WeakPolarHBondContact OD1-CB 3.45Å; N96-A98 PolarHBondContact OD1-N 2.7Å
97	G	89.3	Confident	90	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.01	18%	0.177	C	C	.	.	S	Bend	trans	87.7	1.5	-176.4	0	0	0	0	0	115	A94 H119 R121	A94-G97 PolarHBondContact O-N 3.01Å; G97-H119 WeakPolarHBondContact O-CB 3.46Å; G97-R121 WeakPolarHBondContact CA-O 3.44Å; G97-R121 PolarHBondContact N-O 3.32Å
98	A	90.9	Very high	89.7	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	18%	0.18	C	C	.	.			trans	-81.7	138.3	174.1	0	0	0	0	0	112.5	F75 A94 N96 V100 L115 F116 T117	F75-A98 HydrophobicContact CD1-CB 3.81Å; F75-A98 HydrophobicContact CE1-CB 3.52Å; A94-A98 HydrophobicContact CB-CB 4.12Å; A94-A98 WeakPolarHBondContact CB-O 3.43Å; A94-A98 PolarHBondContact N-O 2.81Å; N96-A98 VanDerWaalsContact OD1-CB 3.31Å; N96-A98 WeakPolarHBondContact OD1-CB 3.45Å; N96-A98 PolarHBondContact OD1-N 2.7Å; A98-V100 HydrophobicContact CB-CG2 4.2Å; A98-L115 HydrophobicContact CB-CD1 3.83Å; A98-F116 CarbonylContact C-O 3.57Å; A98-F116 VanDerWaalsContact CA-O 3.32Å; A98-F116 WeakPolarHBondContact CA-O 3.37Å; A98-T117 HydrophobicContact CB-CG2 4.25Å
99	V	93	Very high	88.9	Confident	0 Å²	0	37 Å²	37	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	126.1	160.2	-179.2	0	0	0	0	106.9	F116 V123 V126 L136 F148	V99-F116 HydrophobicContact CB-CB 4.35Å; V99-F116 HydrophobicContact CB-CD2 4.28Å; V99-F116 HydrophobicContact CG1-CD2 4.31Å; V99-F116 PolarHBondContact N-O 3.36Å; V99-F116 PolarHBondContact O-N 3.49Å; V99-V123 HydrophobicContact CG2-CG1 4.22Å; V99-V123 HydrophobicContact CG2-CG2 4.03Å; V99-V126 HydrophobicContact CG1-CG1 4.03Å; V99-V126 HydrophobicContact CG2-CG1 4.46Å; V99-L136 HydrophobicContact CG1-CD2 3.76Å; V99-F148 HydrophobicContact CB-CE2 4.29Å; V99-F148 HydrophobicContact CG1-CE2 4.34Å; V99-F148 HydrophobicContact CG2-CE2 4.05Å; V99-F148 HydrophobicContact CG2-CZ 4.31Å
100	V	91.4	Very high	88.3	Confident	1 Å²	1	40.2 Å²	40.2	1%	0.006	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	132.5	-175.9	-167.5	0	0	0	0	109.7	F75 A91 T92 A98 W102 Q112 Q114 L115	F75-V100 HydrophobicContact CD1-CG2 4.44Å; A91-V100 WeakPolarHBondContact CA-O 3.43Å; T92-V100 PolarHBondContact N-O 3.46Å; T92-V100 PolarHBondContact O-N 2.84Å; T92-V100 VanDerWaalsContact O-N 3.09Å; T92-V100 PolarHBondContact OG1-O 2.96Å; A98-V100 HydrophobicContact CB-CG2 4.2Å; V100-W102 HydrophobicContact CB-CZ2 4.19Å; V100-W102 HydrophobicContact CG1-CD2 4.39Å; V100-W102 HydrophobicContact CG1-CH2 4.43Å; V100-W102 HydrophobicContact CG1-CZ2 3.64Å; V100-Q112 HydrophobicContact CG1-CG 3.72Å; V100-Q114 WeakPolarHBondContact CA-O 3.17Å; V100-Q114 WeakPolarHBondContact CG1-O 3.23Å; V100-L115 HydrophobicContact CG2-CD1 3.8Å
101	T	91.9	Very high	87.8	Confident	1 Å²	1	42 Å²	42	1%	0.006	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	148.8	171.7	61.9	0	0	0	0	111.5	L90 A91 D113 Q114 F116 L136 L150	L90-T101 VanDerWaalsContact O-CA 3.28Å; L90-T101 WeakPolarHBondContact O-CA 3.28Å; A91-T101 HydrophobicContact CB-CG2 4.49Å; T101-D113 PolarHBondContact O-N 3.11Å; T101-Q114 PolarHBondContact N-O 2.79Å; T101-Q114 WeakPolarHBondContact OG1-CB 3.3Å; T101-Q114 PolarHBondContact OG1-N 2.68Å; T101-Q114 VanDerWaalsContact OG1-N 3.15Å; T101-F116 HydrophobicContact CG2-CE2 4.43Å; T101-L136 HydrophobicContact CG2-CD2 3.85Å; T101-L150 HydrophobicContact CG2-CD2 3.82Å
102	W	90.8	Very high	87.5	Confident	26 Å²	26	44.3 Å²	44.3	10%	0.098	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	128.9	-173.6	-49.6	80.6	0	0	0	109.4	F49 L89 L90 T92 V100 K111 Q112	F49-W102 HydrophobicContact CD1-CZ2 4.44Å; F49-W102 AromaticContact CE1-CD2 3.88Å; F49-W102 HydrophobicContact CE1-CD2 3.88Å; F49-W102 AromaticContact CE1-CE2 3.55Å; F49-W102 HydrophobicContact CE1-CE3 4.25Å; F49-W102 HydrophobicContact CE1-CG 4.42Å; F49-W102 HydrophobicContact CE1-CH2 4.09Å; F49-W102 AromaticContact CE1-CZ2 3.68Å; F49-W102 HydrophobicContact CE1-CZ2 3.68Å; F49-W102 HydrophobicContact CE1-CZ3 4.35Å; F49-W102 AromaticContact CE1-NE1 3.87Å; F49-W102 HydrophobicContact CZ-CD2 4.27Å; F49-W102 HydrophobicContact CZ-CG 4.35Å; F49-W102 AromaticContact CZ-NE1 3.9Å; L89-W102 WeakPolarHBondContact CA-O 3.46Å; L90-W102 HydrophobicContact CB-CB 4.21Å; L90-W102 PolarHBondContact N-O 2.83Å; L90-W102 PolarHBondContact O-N 2.94Å; T92-W102 PolarHBondContact OG1-NE1 3.04Å; V100-W102 HydrophobicContact CB-CZ2 4.19Å; V100-W102 HydrophobicContact CG1-CD2 4.39Å; V100-W102 HydrophobicContact CG1-CH2 4.43Å; V100-W102 HydrophobicContact CG1-CZ2 3.64Å; W102-K111 CarbonylContact C-O 3.57Å; W102-K111 WeakPolarHBondContact CA-O 3.47Å; W102-K111 HydrophobicContact CE3-CB 4.49Å; W102-Q112 HydrophobicContact CE3-CB 3.99Å; W102-Q112 HydrophobicContact CH2-CB 4.48Å; W102-Q112 HydrophobicContact CZ3-CB 3.89Å
103	N	90.6	Very high	87.2	Confident	51 Å²	51	47.6 Å²	47.6	27%	0.273	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	105.8	176.9	-172.7	-39.5	0	0	0	109.5	N88 G105 K106 K111 D113	N88-N103 CarbonylContact O-C 3.52Å; N88-N103 WeakPolarHBondContact O-CA 3.43Å; N103-G105 VanDerWaalsContact C-N 3.29Å; N103-G105 PolarHBondContact O-N 2.89Å; N103-G105 PolarHBondContact OD1-N 2.99Å; N103-K106 HydrophobicContact CB-CB 4.41Å; N103-K106 WeakPolarHBondContact O-CB 3.2Å; N103-K106 PolarHBondContact O-N 2.9Å; N103-K106 PolarHBondContact OD1-N 2.93Å; N103-K111 PolarHBondContact N-O 2.83Å; N103-D113 HydrophobicContact CB-CB 4.08Å
104	L	88.8	Confident	86.8	Confident	23 Å²	23	49.8 Å²	49.8	12%	0.12	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-28.3	-177	-55.7	-179	0	0	0	112.6	I51 L63 L65 W82 N88 L90 K106 K111	I51-L104 HydrophobicContact CD1-CD1 3.65Å; I51-L104 HydrophobicContact CD1-CD2 3.74Å; I51-L104 HydrophobicContact CD1-CG 4.37Å; L63-L104 HydrophobicContact CD2-CD2 4.01Å; L65-L104 HydrophobicContact CD1-CD2 4.23Å; L65-L104 HydrophobicContact CD2-CD2 4.04Å; W82-L104 HydrophobicContact CH2-CD1 4.26Å; W82-L104 HydrophobicContact CZ2-CD1 3.76Å; N88-L104 HydrophobicContact CB-CB 4.44Å; N88-L104 PolarHBondContact O-N 3Å; L90-L104 HydrophobicContact CD1-CD1 4.38Å; L90-L104 HydrophobicContact CD1-CD2 4.04Å; L90-L104 HydrophobicContact CG-CD1 4.36Å; L104-K106 VanDerWaalsContact C-N 3.27Å; L104-K106 PolarHBondContact O-N 3.01Å; L104-K111 PolarHBondContact O-NZ 2.87Å
105	G	86.9	Confident	86.7	Confident	48 Å²	48	53.6 Å²	53.6	50%	0.495	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-15.1	177.7	0	0	0	0	0	114.2	N88 N103	N88-G105 PolarHBondContact OD1-N 3.49Å; N88-G105 VanDerWaalsContact OD1-N 3.13Å; N103-G105 VanDerWaalsContact C-N 3.29Å; N103-G105 PolarHBondContact O-N 2.89Å; N103-G105 PolarHBondContact OD1-N 2.99Å
106	K	85.9	Confident	86.7	Confident	66 Å²	66	51.1 Å²	51.1	29%	0.287	27%	0.269	S	S	.	.			trans	-61.3	124.3	178.9	-159.6	167.8	-166.9	162.2	0	110.3	N103 L104 S108 K111 Q112 D113	N103-K106 HydrophobicContact CB-CB 4.41Å; N103-K106 WeakPolarHBondContact O-CB 3.2Å; N103-K106 PolarHBondContact O-N 2.9Å; N103-K106 PolarHBondContact OD1-N 2.93Å; L104-K106 VanDerWaalsContact C-N 3.27Å; L104-K106 PolarHBondContact O-N 3.01Å; K106-S108 PolarHBondContact O-N 2.91Å; K106-S108 VanDerWaalsContact O-N 3.1Å; K106-K111 HydrophobicContact CB-CD 4.41Å; K106-K111 WeakPolarHBondContact O-CD 3.3Å; K106-K111 WeakPolarHBondContact O-CE 3.47Å; K106-K111 PolarHBondContact O-NZ 2.76Å; K106-Q112 PolarHBondContact NZ-O 3.03Å; K106-D113 IonicContact NZ-OD1 2.75Å; K106-D113 PolarHBondContact NZ-OD1 3.12Å
107	P	79	Confident	86.8	Confident	135 Å²	135	52.7 Å²	52.7	88%	0.877	28%	0.282	S	S	*	.	S	Bend	trans	-72.2	-5.6	-173.7	27.7	-35.5	0	0	0	114.5
108	S	78.9	Confident	86.7	Confident	61 Å²	61	55.7 Å²	55.7	43%	0.427	30%	0.295	S	S	.	.	S	Bend	trans	-73	154	175.3	-177.7	0	0	0	0	112.3	K106 N110 K111	K106-S108 PolarHBondContact O-N 2.91Å; K106-S108 VanDerWaalsContact O-N 3.1Å; S108-N110 VanDerWaalsContact C-N 3.26Å; S108-N110 WeakPolarHBondContact CB-O 2.83Å; S108-N110 PolarHBondContact OG-N 3.29Å; S108-N110 VanDerWaalsContact OG-N 3.09Å; S108-N110 PolarHBondContact OG-O 2.79Å; S108-K111 WeakPolarHBondContact O-CE 3.47Å
109	R	73.9	Confident	86.8	Confident	225 Å²	225	56.2 Å²	56.2	85%	0.849	30%	0.298	S	S	*	.	S	Bend	trans	-62.1	-34.2	164.2	-87.8	-176.1	164.1	174.7	-5.7	112.1	K111	R109-K111 PolarHBondContact O-N 2.66Å
110	N	78.3	Confident	86.7	Confident	78 Å²	78	65.2 Å²	65.2	42%	0.417	34%	0.337	S	S	.	.			trans	-83.7	106.7	169	-171.4	6.9	0	0	0	109.7	S108 Q112	S108-N110 VanDerWaalsContact C-N 3.26Å; S108-N110 WeakPolarHBondContact CB-O 2.83Å; S108-N110 PolarHBondContact OG-N 3.29Å; S108-N110 VanDerWaalsContact OG-N 3.09Å; S108-N110 PolarHBondContact OG-O 2.79Å; N110-Q112 VanDerWaalsContact C-N 3.34Å; N110-Q112 WeakPolarHBondContact OD1-CB 3.45Å; N110-Q112 PolarHBondContact OD1-N 3.36Å
111	K	84.1	Confident	86.8	Confident	37 Å²	37	72.6 Å²	72.6	16%	0.161	37%	0.365	C	S	.	.			trans	-82.9	-7.5	176.8	-58.5	-65.5	-173.9	165.5	0	113.5	L63 L65 W102 N103 L104 K106 S108 R109 D113	L63-K111 HydrophobicContact CD2-CG 4.41Å; L65-K111 HydrophobicContact CD2-CB 3.79Å; L65-K111 HydrophobicContact CD2-CG 3.76Å; W102-K111 CarbonylContact C-O 3.57Å; W102-K111 WeakPolarHBondContact CA-O 3.47Å; W102-K111 HydrophobicContact CE3-CB 4.49Å; N103-K111 PolarHBondContact N-O 2.83Å; L104-K111 PolarHBondContact O-NZ 2.87Å; K106-K111 HydrophobicContact CB-CD 4.41Å; K106-K111 WeakPolarHBondContact O-CD 3.3Å; K106-K111 WeakPolarHBondContact O-CE 3.47Å; K106-K111 PolarHBondContact O-NZ 2.76Å; S108-K111 WeakPolarHBondContact O-CE 3.47Å; R109-K111 PolarHBondContact O-N 2.66Å; K111-D113 PolarHBondContact O-N 3.39Å
112	Q	86.8	Confident	86.9	Confident	50 Å²	50	74.7 Å²	74.7	23%	0.234	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.7	136.8	175.9	-172.4	179.1	23.7	0	0	110.6	V100 W102 K106 N110	V100-Q112 HydrophobicContact CG1-CG 3.72Å; W102-Q112 HydrophobicContact CE3-CB 3.99Å; W102-Q112 HydrophobicContact CH2-CB 4.48Å; W102-Q112 HydrophobicContact CZ3-CB 3.89Å; K106-Q112 PolarHBondContact NZ-O 3.03Å; N110-Q112 VanDerWaalsContact C-N 3.34Å; N110-Q112 WeakPolarHBondContact OD1-CB 3.45Å; N110-Q112 PolarHBondContact OD1-N 3.36Å
113	D	86.3	Confident	87.1	Confident	71 Å²	71	73.4 Å²	73.4	38%	0.38	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	-57.4	179.7	-152.6	57.3	0	0	0	112.5	T101 N103 K106 K111	T101-D113 PolarHBondContact O-N 3.11Å; N103-D113 HydrophobicContact CB-CB 4.08Å; K106-D113 IonicContact NZ-OD1 2.75Å; K106-D113 PolarHBondContact NZ-OD1 3.12Å; K111-D113 PolarHBondContact O-N 3.39Å
114	Q	86.3	Confident	87.2	Confident	46 Å²	46	72.2 Å²	72.2	22%	0.215	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	156.2	177.7	-52.8	-176.7	6.9	0	0	111.6	V100 T101 F116 L150 K152	V100-Q114 WeakPolarHBondContact CA-O 3.17Å; V100-Q114 WeakPolarHBondContact CG1-O 3.23Å; T101-Q114 PolarHBondContact N-O 2.79Å; T101-Q114 WeakPolarHBondContact OG1-CB 3.3Å; T101-Q114 PolarHBondContact OG1-N 2.68Å; T101-Q114 VanDerWaalsContact OG1-N 3.15Å; Q114-F116 HydrophobicContact CB-CE2 4.18Å; Q114-F116 HydrophobicContact CB-CZ 4.18Å; Q114-F116 VanDerWaalsContact OE1-CZ 3.27Å; Q114-L150 PolarHBondContact NE2-O 3.13Å; Q114-L150 PolarHBondContact OE1-O 3.03Å; Q114-K152 PolarHBondContact OE1-O 2.95Å
115	L	89.8	Confident	87.5	Confident	80 Å²	80	72 Å²	72	42%	0.419	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	111.5	-175.9	169	62.3	0	0	0	107.8	F75 A98 V100 T117	F75-L115 HydrophobicContact CE1-CD1 4.03Å; F75-L115 HydrophobicContact CZ-CD1 4.12Å; F75-L115 HydrophobicContact CZ-CD2 4.48Å; A98-L115 HydrophobicContact CB-CD1 3.83Å; V100-L115 HydrophobicContact CG2-CD1 3.8Å; L115-T117 HydrophobicContact CD1-CG2 3.82Å; L115-T117 HydrophobicContact CD2-CG2 4.45Å; L115-T117 HydrophobicContact CG-CG2 3.97Å
116	F	90.3	Very high	88	Confident	5 Å²	5	69.7 Å²	69.7	2%	0.022	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	122.3	175	-49.4	-82.7	0	0	0	108.6	A98 V99 T101 Q114 F148 L150	A98-F116 CarbonylContact C-O 3.57Å; A98-F116 VanDerWaalsContact CA-O 3.32Å; A98-F116 WeakPolarHBondContact CA-O 3.37Å; V99-F116 HydrophobicContact CB-CB 4.35Å; V99-F116 HydrophobicContact CB-CD2 4.28Å; V99-F116 HydrophobicContact CG1-CD2 4.31Å; V99-F116 PolarHBondContact N-O 3.36Å; V99-F116 PolarHBondContact O-N 3.49Å; T101-F116 HydrophobicContact CG2-CE2 4.43Å; Q114-F116 HydrophobicContact CB-CE2 4.18Å; Q114-F116 HydrophobicContact CB-CZ 4.18Å; Q114-F116 VanDerWaalsContact OE1-CZ 3.27Å; F116-F148 HydrophobicContact CB-CD1 4.11Å; F116-F148 HydrophobicContact CB-CE1 3.55Å; F116-F148 HydrophobicContact CB-CZ 3.94Å; F116-F148 AromaticContact CD1-CD1 3.46Å; F116-F148 HydrophobicContact CD1-CD1 3.46Å; F116-F148 VanDerWaalsContact CD1-CD1 3.46Å; F116-F148 AromaticContact CD1-CE1 3.75Å; F116-F148 HydrophobicContact CD1-CE1 3.75Å; F116-F148 HydrophobicContact CD1-CG 4.31Å; F116-F148 AromaticContact CD2-CD1 3.97Å; F116-F148 HydrophobicContact CD2-CD1 3.97Å; F116-F148 HydrophobicContact CD2-CE1 4.2Å; F116-F148 HydrophobicContact CD2-CG 4.15Å; F116-F148 HydrophobicContact CE1-CB 4.35Å; F116-F148 AromaticContact CE1-CD1 3.74Å; F116-F148 HydrophobicContact CE1-CD1 3.74Å; F116-F148 HydrophobicContact CE1-CE1 4.48Å; F116-F148 HydrophobicContact CE1-CG 4.3Å; F116-F148 HydrophobicContact CE2-CB 4.24Å; F116-F148 HydrophobicContact CE2-CD1 4.23Å; F116-F148 HydrophobicContact CE2-CG 4.15Å; F116-F148 AromaticContact CG-CD1 3.58Å; F116-F148 HydrophobicContact CG-CD1 3.58Å; F116-F148 AromaticContact CG-CE1 3.58Å; F116-F148 HydrophobicContact CG-CE1 3.58Å; F116-F148 HydrophobicContact CG-CG 4.23Å; F116-F148 HydrophobicContact CG-CZ 4.22Å; F116-F148 HydrophobicContact CZ-CB 4.03Å; F116-F148 HydrophobicContact CZ-CD1 4.12Å; F116-F148 HydrophobicContact CZ-CG 4.22Å; F116-L150 HydrophobicContact CE2-CD2 4.14Å; F116-L150 HydrophobicContact CZ-CD2 4.16Å
117	T	89.5	Confident	88.4	Confident	101 Å²	101	67.1 Å²	67.1	62%	0.62	33%	0.331	S	S	*	.			trans	-118.8	42.3	-178.9	58.4	0	0	0	0	111.3	A98 L115	A98-T117 HydrophobicContact CB-CG2 4.25Å; L115-T117 HydrophobicContact CD1-CG2 3.82Å; L115-T117 HydrophobicContact CD2-CG2 4.45Å; L115-T117 HydrophobicContact CG-CG2 3.97Å
118	E	88.3	Confident	89.2	Confident	64 Å²	64	61.1 Å²	61.1	30%	0.299	29%	0.291	S	S	.	.			trans	-91.6	-12.6	-175	-63.6	-178.9	-140.9	0	0	114.3	K146 E154 S155	E118-K146 HydrophobicContact CB-CD 3.72Å; E118-K146 VanDerWaalsContact CB-CE 3.48Å; E118-K146 IonicContact OE2-NZ 3.34Å; E118-K146 PolarHBondContact OE2-NZ 3.14Å; E118-E154 WeakPolarHBondContact OE1-CA 3.41Å; E118-S155 PolarHBondContact OE1-N 2.9Å; E118-S155 WeakPolarHBondContact OE2-CB 3.46Å; E118-S155 PolarHBondContact OE2-OG 3.31Å
119	H	92.2	Very high	89.8	Confident	11 Å²	11	58.3 Å²	58.3	5%	0.051	27%	0.271	C	S	.	.			trans	-86.4	146.5	172.4	-76.1	-69	0	0	0	110.6	G97 V123 S138 S140 D142 F144	G97-H119 WeakPolarHBondContact O-CB 3.46Å; H119-V123 HydrophobicContact CB-CG2 4.18Å; H119-S138 PolarHBondContact NE2-OG 3.27Å; H119-S140 VanDerWaalsContact CE1-CB 3.46Å; H119-S140 WeakPolarHBondContact CE1-CB 3.35Å; H119-S140 WeakPolarHBondContact ND1-CB 3.48Å; H119-D142 VanDerWaalsContact CA-OD2 3.25Å; H119-D142 WeakPolarHBondContact CA-OD2 3.35Å; H119-D142 WeakPolarHBondContact CB-OD2 3.4Å; H119-D142 IonicContact CE1-OD1 3.15Å; H119-D142 IonicContact CG-OD2 2.66Å; H119-D142 IonicContact ND1-OD1 3.47Å; H119-D142 PolarHBondContact ND1-OD1 3.47Å; H119-D142 IonicContact ND1-OD2 2.68Å; H119-D142 PolarHBondContact ND1-OD2 3.18Å; H119-F144 PolarHBondContact CE1-O 3.36Å; H119-F144 VanDerWaalsContact CE1-O 3.32Å
120	K	91.8	Very high	90.5	Very high	189 Å²	189	49.1 Å²	49.1	82%	0.822	24%	0.241	S	C	*	.	S	Bend	trans	-95.5	-11.3	-177.2	-63.8	-176.1	179.7	-178.8	0	113.3	D142	K120-D142 HydrophobicContact CB-CB 4.33Å; K120-D142 PolarHBondContact N-OD2 3.34Å
121	R	92.9	Very high	91	Very high	156 Å²	156	49.2 Å²	49.2	59%	0.589	24%	0.244	S	C	*	.	S	Bend	trans	-141.7	178.6	-177.2	-67.9	-179.4	171.3	173	-3.7	110.7	G97 V123 S140 Q141 D142	G97-R121 WeakPolarHBondContact CA-O 3.44Å; G97-R121 PolarHBondContact N-O 3.32Å; R121-V123 PolarHBondContact O-N 2.8Å; R121-S140 PolarHBondContact O-OG 3.48Å; R121-Q141 HydrophobicContact CB-CB 4.11Å; R121-Q141 WeakPolarHBondContact CD-O 3.38Å; R121-Q141 PolarHBondContact NH1-O 2.95Å; R121-D142 HydrophobicContact CB-CB 4.06Å; R121-D142 HydrophobicContact CG-CB 4.2Å
122	T	92.8	Very high	91.1	Very high	45 Å²	45	50 Å²	50	28%	0.276	25%	0.249	S	C	.	.			trans	-47.2	121.9	179.3	52	0	0	0	0	112.5	T95 N124 S140 Q141	T95-T122 HydrophobicContact CG2-CG2 4.45Å; T95-T122 WeakPolarHBondContact O-CA 3.49Å; T95-T122 WeakPolarHBondContact O-CG2 3.49Å; T122-N124 PolarHBondContact O-N 2.83Å; T122-S140 WeakPolarHBondContact O-CA 3.48Å; T122-S140 PolarHBondContact O-OG 2.79Å; T122-Q141 PolarHBondContact O-N 3.41Å; T122-Q141 WeakPolarHBondContact OG1-CB 3.43Å
123	V	95.1	Very high	91.1	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	119.2	165.6	-172.4	0	0	0	0	107.2	A78 A93 A94 V99 H119 R121 K125 V126 G139	A78-V123 WeakPolarHBondContact CB-O 3.5Å; A93-V123 HydrophobicContact CB-CB 3.84Å; A93-V123 HydrophobicContact CB-CG1 3.62Å; A94-V123 PolarHBondContact O-N 3.36Å; V99-V123 HydrophobicContact CG2-CG1 4.22Å; V99-V123 HydrophobicContact CG2-CG2 4.03Å; H119-V123 HydrophobicContact CB-CG2 4.18Å; R121-V123 PolarHBondContact O-N 2.8Å; V123-K125 WeakPolarHBondContact CG1-O 3.29Å; V123-V126 HydrophobicContact CG1-CG1 4.47Å; V123-G139 WeakPolarHBondContact CG1-O 3.43Å
124	N	94.4	Very high	91.2	Very high	25 Å²	25	49.9 Å²	49.9	13%	0.134	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	-25.9	-174.9	-71.4	-31	0	0	0	112.4	T122 G139 Q141 V166	T122-N124 PolarHBondContact O-N 2.83Å; N124-G139 PolarHBondContact N-O 3Å; N124-Q141 PolarHBondContact ND2-OE1 3.37Å; N124-V166 PolarHBondContact ND2-O 2.89Å
125	K	94.9	Very high	91.5	Very high	18 Å²	18	49.5 Å²	49.5	8%	0.078	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	149.9	-177.4	-154.3	90	-179.8	78	0	113.2	D79 V123 S138 G139 D168 V169	D79-K125 IonicContact OD1-NZ 3.37Å; D79-K125 PolarHBondContact OD1-NZ 3.5Å; D79-K125 WeakPolarHBondContact OD2-CA 3.11Å; D79-K125 WeakPolarHBondContact OD2-CD 3.47Å; D79-K125 WeakPolarHBondContact OD2-CG 3.43Å; D79-K125 IonicContact OD2-NZ 3.82Å; D79-K125 PolarHBondContact OD2-NZ 3.44Å; V123-K125 WeakPolarHBondContact CG1-O 3.29Å; K125-S138 WeakPolarHBondContact O-CA 3.48Å; K125-G139 PolarHBondContact N-O 2.84Å; K125-G139 PolarHBondContact O-N 2.89Å; K125-G139 VanDerWaalsContact O-N 3.1Å; K125-D168 WeakPolarHBondContact CD-OD1 3.3Å; K125-D168 WeakPolarHBondContact CE-OD1 3.38Å; K125-D168 WeakPolarHBondContact CG-OD1 3.29Å; K125-V169 HydrophobicContact CB-CG2 4.1Å; K125-V169 HydrophobicContact CG-CG2 4.48Å
126	V	95.8	Very high	91.8	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	142.6	166.7	-81.3	0	0	0	0	111.9	D79 M81 A91 A93 V99 V123 L136 L137	D79-V126 HydrophobicContact CB-CG2 4.43Å; D79-V126 PolarHBondContact OD2-N 2.88Å; M81-V126 HydrophobicContact CB-CG2 4.22Å; A91-V126 HydrophobicContact CB-CG2 4.4Å; A93-V126 HydrophobicContact CB-CG1 4.02Å; A93-V126 HydrophobicContact CB-CG2 4.1Å; V99-V126 HydrophobicContact CG1-CG1 4.03Å; V99-V126 HydrophobicContact CG2-CG1 4.46Å; V123-V126 HydrophobicContact CG1-CG1 4.47Å; V126-L136 HydrophobicContact CB-CD1 4.19Å; V126-L136 HydrophobicContact CG1-CD1 4.41Å; V126-L137 WeakPolarHBondContact CA-O 3.4Å
127	C	95.3	Very high	92	Very high	13 Å²	13	45.5 Å²	45.5	9%	0.088	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	127.3	179.9	-170.6	0	0	0	0	110.9	L137 V169 F171	C127-L137 PolarHBondContact N-O 3.09Å; C127-L137 PolarHBondContact O-N 3.35Å; C127-V169 WeakPolarHBondContact CB-O 3.1Å; C127-F171 HydrophobicContact CB-CD2 4.4Å; C127-F171 WeakPolarHBondContact O-CE2 3.41Å
128	F	94.8	Very high	92.3	Very high	9 Å²	9	40.7 Å²	40.7	4%	0.039	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	148.7	170.4	-74.1	-65.9	0	0	0	111	M81 H83 L89 A91 L136 L150 F171	M81-F128 HydrophobicContact CB-CD2 4.24Å; M81-F128 HydrophobicContact CB-CE2 4.47Å; M81-F128 HydrophobicContact CG-CD2 3.82Å; M81-F128 HydrophobicContact CG-CE2 4.49Å; M81-F128 WeakPolarHBondContact O-CE2 3.44Å; H83-F128 VanDerWaalsContact CA-CD2 3.47Å; H83-F128 HydrophobicContact CB-CD2 3.85Å; H83-F128 HydrophobicContact CB-CE2 3.71Å; H83-F128 HydrophobicContact CB-CG 4.37Å; H83-F128 HydrophobicContact CB-CZ 4.14Å; H83-F128 AromaticContact CD2-CD1 3.43Å; H83-F128 VanDerWaalsContact CD2-CD1 3.43Å; H83-F128 WeakPolarHBondContact CD2-CD1 3.39Å; H83-F128 AromaticContact CD2-CD2 3.9Å; H83-F128 AromaticContact CD2-CE1 3.7Å; H83-F128 AromaticContact CD2-CG 3.53Å; L89-F128 HydrophobicContact CD2-CE1 4.41Å; L89-F128 HydrophobicContact CD2-CZ 4.41Å; L89-F128 HydrophobicContact CG-CZ 4.05Å; A91-F128 HydrophobicContact CB-CE1 4.18Å; A91-F128 HydrophobicContact CB-CE2 3.71Å; A91-F128 HydrophobicContact CB-CZ 3.44Å; A91-F128 VanDerWaalsContact CB-CZ 3.44Å; F128-L136 HydrophobicContact CD1-CB 4Å; F128-L136 HydrophobicContact CD1-CD1 3.79Å; F128-L136 HydrophobicContact CD1-CG 4.41Å; F128-L136 HydrophobicContact CE1-CB 4.03Å; F128-L136 HydrophobicContact CE1-CD1 3.81Å; F128-L136 HydrophobicContact CE1-CD2 4.24Å; F128-L136 HydrophobicContact CE1-CG 4.24Å; F128-L136 HydrophobicContact CG-CD1 4.28Å; F128-L136 HydrophobicContact CZ-CD1 4.33Å; F128-L150 HydrophobicContact CE1-CD1 4.22Å; F128-F171 WeakPolarHBondContact O-CD2 3.5Å
129	H	93.2	Very high	92.7	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.009	18%	0.18	C	C	.	.			trans	-68.9	131.7	175.1	-171.8	-102.8	0	0	0	111.1	T131 E132 M135 F171 Y176	H129-T131 PolarHBondContact CE1-OG1 2.85Å; H129-T131 PolarHBondContact ND1-N 3.36Å; H129-T131 PolarHBondContact O-N 2.77Å; H129-T131 VanDerWaalsContact O-N 3.1Å; H129-E132 HydrophobicContact CB-CB 4.05Å; H129-E132 VanDerWaalsContact ND1-CB 3.35Å; H129-E132 WeakPolarHBondContact ND1-CB 3.43Å; H129-E132 WeakPolarHBondContact ND1-CG 3Å; H129-E132 PolarHBondContact ND1-N 2.81Å; H129-E132 VanDerWaalsContact ND1-N 3.14Å; H129-M135 HydrophobicContact CB-CB 3.64Å; H129-M135 PolarHBondContact N-O 3.1Å; H129-F171 HydrophobicContact CB-CD2 4.14Å; H129-F171 HydrophobicContact CB-CE2 3.95Å; H129-F171 HydrophobicContact CB-CZ 4.23Å; H129-F171 AromaticContact CD2-CD1 3.6Å; H129-F171 AromaticContact CD2-CE1 3.85Å; H129-F171 AromaticContact CD2-CG 3.79Å; H129-Y176 AromaticContact CE1-CD2 3.58Å; H129-Y176 AromaticContact CE1-CE2 3.92Å; H129-Y176 AromaticContact CE1-CG 3.92Å; H129-Y176 PolarHBondContact NE2-O 3.45Å
130	P	88.1	Confident	92.9	Very high	32 Å²	32	37.1 Å²	37.1	21%	0.208	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-17.7	-173	23.1	-34.3	0	0	0	114.9	F171 M173	P130-F171 HydrophobicContact CG-CB 4.47Å; P130-M173 HydrophobicContact CB-SD 4.1Å; P130-M173 HydrophobicContact CG-SD 4.46Å
131	T	87.8	Confident	93	Very high	80 Å²	80	30 Å²	30	49%	0.491	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127.8	1.3	-179.1	81.4	0	0	0	0	115.3	H129 Y176	H129-T131 PolarHBondContact CE1-OG1 2.85Å; H129-T131 PolarHBondContact ND1-N 3.36Å; H129-T131 PolarHBondContact O-N 2.77Å; H129-T131 VanDerWaalsContact O-N 3.1Å; T131-Y176 WeakPolarHBondContact OG1-CD2 3.49Å
132	E	87.9	Confident	93	Very high	54 Å²	54	23.6 Å²	23.6	25%	0.252	13%	0.125	S	C	.	.			trans	-126	109.7	-177.6	-76.1	-105.8	113.4	0	0	109.7	H129 Y134 M135 Y176	H129-E132 HydrophobicContact CB-CB 4.05Å; H129-E132 VanDerWaalsContact ND1-CB 3.35Å; H129-E132 WeakPolarHBondContact ND1-CB 3.43Å; H129-E132 WeakPolarHBondContact ND1-CG 3Å; H129-E132 PolarHBondContact ND1-N 2.81Å; H129-E132 VanDerWaalsContact ND1-N 3.14Å; E132-Y134 PolarHBondContact O-N 2.76Å; E132-M135 HydrophobicContact CB-CB 4.11Å; E132-M135 HydrophobicContact CB-CG 4.1Å; E132-M135 PolarHBondContact O-N 3.45Å; E132-M135 WeakPolarHBondContact OE2-CE 3.24Å; E132-Y176 HydrophobicContact CG-CE2 3.65Å; E132-Y176 WeakPolarHBondContact CG-OH 3.4Å; E132-Y176 PolarHBondContact OE1-OH 2.9Å; E132-Y176 PolarHBondContact OE2-OH 3.07Å
133	A	85.2	Confident	93	Very high	21 Å²	21	21.5 Å²	21.5	17%	0.174	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-12.9	-173.3	0	0	0	0	0	115.5	H83	H83-A133 WeakPolarHBondContact NE2-CA 3.47Å; H83-A133 PolarHBondContact NE2-O 3.42Å
134	Y	89.6	Confident	92.9	Very high	96 Å²	96	25.2 Å²	25.2	38%	0.376	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.2	1.8	-175.2	-51.8	-54.1	0	0	0	114	E132 D149 L150 R151	E132-Y134 PolarHBondContact O-N 2.76Å; Y134-D149 CarbonylContact O-C 3.43Å; Y134-D149 VanDerWaalsContact O-CA 3.29Å; Y134-D149 WeakPolarHBondContact O-CA 3.16Å; Y134-L150 HydrophobicContact CD1-CB 4.39Å; Y134-L150 PolarHBondContact O-N 3.48Å; Y134-R151 HydrophobicContact CD1-CG 4.38Å; Y134-R151 HydrophobicContact CD2-CG 4.17Å; Y134-R151 HydrophobicContact CG-CG 4.02Å
135	M	92.9	Very high	93	Very high	39 Å²	39	24 Å²	24	19%	0.192	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	122.8	177.9	-74.6	-161.4	179.1	0	0	112.1	H129 E132 I193	H129-M135 HydrophobicContact CB-CB 3.64Å; H129-M135 PolarHBondContact N-O 3.1Å; E132-M135 HydrophobicContact CB-CB 4.11Å; E132-M135 HydrophobicContact CB-CG 4.1Å; E132-M135 PolarHBondContact O-N 3.45Å; E132-M135 WeakPolarHBondContact OE2-CE 3.24Å; M135-I193 HydrophobicContact CE-CD1 4.38Å; M135-I193 HydrophobicContact SD-CD1 4.06Å
136	L	94.9	Very high	93	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	128.9	178.1	172.7	62.4	0	0	0	109.9	A91 V99 T101 V126 F128 C147 F148 L150	A91-L136 HydrophobicContact CB-CD1 3.75Å; A91-L136 HydrophobicContact CB-CD2 3.83Å; A91-L136 HydrophobicContact CB-CG 4.49Å; V99-L136 HydrophobicContact CG1-CD2 3.76Å; T101-L136 HydrophobicContact CG2-CD2 3.85Å; V126-L136 HydrophobicContact CB-CD1 4.19Å; V126-L136 HydrophobicContact CG1-CD1 4.41Å; F128-L136 HydrophobicContact CD1-CB 4Å; F128-L136 HydrophobicContact CD1-CD1 3.79Å; F128-L136 HydrophobicContact CD1-CG 4.41Å; F128-L136 HydrophobicContact CE1-CB 4.03Å; F128-L136 HydrophobicContact CE1-CD1 3.81Å; F128-L136 HydrophobicContact CE1-CD2 4.24Å; F128-L136 HydrophobicContact CE1-CG 4.24Å; F128-L136 HydrophobicContact CG-CD1 4.28Å; F128-L136 HydrophobicContact CZ-CD1 4.33Å; L136-C147 CarbonylContact O-C 3.58Å; L136-C147 WeakPolarHBondContact O-CA 3.42Å; L136-F148 HydrophobicContact CG-CD2 4.39Å; L136-F148 PolarHBondContact N-O 2.94Å; L136-F148 VanDerWaalsContact N-O 3.09Å; L136-F148 PolarHBondContact O-N 2.97Å; L136-L150 HydrophobicContact CB-CD2 4.36Å; L136-L150 HydrophobicContact CD2-CD2 4.27Å
137	L	95.9	Very high	93	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	138.9	176.9	-178.1	68.2	0	0	0	110.6	V126 C127 M145 K146 C147 V169 F171 F179	V126-L137 WeakPolarHBondContact CA-O 3.4Å; C127-L137 PolarHBondContact N-O 3.09Å; C127-L137 PolarHBondContact O-N 3.35Å; L137-M145 HydrophobicContact CD1-CB 4.44Å; L137-K146 WeakPolarHBondContact CA-O 3.46Å; L137-C147 HydrophobicContact CD1-CB 4.44Å; L137-V169 HydrophobicContact CD2-CB 3.88Å; L137-V169 HydrophobicContact CD2-CG2 4.2Å; L137-V169 HydrophobicContact CG-CB 4.29Å; L137-V169 HydrophobicContact CG-CG2 4.13Å; L137-F171 HydrophobicContact CB-CD2 4.37Å; L137-F171 HydrophobicContact CB-CE2 3.49Å; L137-F171 VanDerWaalsContact CB-CE2 3.49Å; L137-F171 HydrophobicContact CB-CZ 3.61Å; L137-F171 HydrophobicContact CD2-CE1 4.35Å; L137-F171 HydrophobicContact CD2-CE2 4.28Å; L137-F171 HydrophobicContact CD2-CZ 4.17Å; L137-F171 HydrophobicContact CG-CZ 4.42Å; L137-F179 HydrophobicContact CD1-CE2 4.28Å; L137-F179 HydrophobicContact CD1-CZ 4.27Å; L137-F179 HydrophobicContact CD2-CB 3.97Å; L137-F179 HydrophobicContact CD2-CD1 4.36Å; L137-F179 HydrophobicContact CD2-CD2 3.55Å; L137-F179 HydrophobicContact CD2-CE2 4.02Å; L137-F179 HydrophobicContact CD2-CG 3.73Å
138	S	95.9	Very high	92.9	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	148.1	170.6	59.3	0	0	0	0	112.3	H119 K125 M145 K146 F148	H119-S138 PolarHBondContact NE2-OG 3.27Å; K125-S138 WeakPolarHBondContact O-CA 3.48Å; S138-M145 WeakPolarHBondContact O-CA 3.42Å; S138-M145 WeakPolarHBondContact O-CB 3.31Å; S138-K146 PolarHBondContact N-O 3.44Å; S138-K146 PolarHBondContact O-N 2.73Å; S138-K146 VanDerWaalsContact O-N 3.11Å; S138-K146 PolarHBondContact OG-O 3.34Å; S138-F148 WeakPolarHBondContact OG-CE2 3.18Å
139	G	95.6	Very high	92.8	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	134.8	170.2	0	0	0	0	0	111.1	V123 N124 K125	V123-G139 WeakPolarHBondContact CG1-O 3.43Å; N124-G139 PolarHBondContact N-O 3Å; K125-G139 PolarHBondContact N-O 2.84Å; K125-G139 PolarHBondContact O-N 2.89Å; K125-G139 VanDerWaalsContact O-N 3.1Å
140	S	95.6	Very high	92.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	153.2	-170.9	177.1	0	0	0	0	114.1	H119 R121 T122 D142 G143 F144 V166	H119-S140 VanDerWaalsContact CE1-CB 3.46Å; H119-S140 WeakPolarHBondContact CE1-CB 3.35Å; H119-S140 WeakPolarHBondContact ND1-CB 3.48Å; R121-S140 PolarHBondContact O-OG 3.48Å; T122-S140 WeakPolarHBondContact O-CA 3.48Å; T122-S140 PolarHBondContact O-OG 2.79Å; S140-D142 VanDerWaalsContact CB-OD1 3.27Å; S140-D142 WeakPolarHBondContact CB-OD1 3.43Å; S140-D142 PolarHBondContact O-N 2.96Å; S140-D142 PolarHBondContact OG-N 2.73Å; S140-D142 PolarHBondContact OG-OD1 3.19Å; S140-D142 PolarHBondContact OG-OD2 3.49Å; S140-G143 PolarHBondContact O-N 3.21Å; S140-F144 PolarHBondContact N-O 3.26Å; S140-V166 PolarHBondContact O-N 3.42Å; S140-V166 VanDerWaalsContact O-N 3.17Å
141	Q	95.1	Very high	92.8	Very high	41 Å²	41	30.6 Å²	30.6	19%	0.192	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-0.5	171.3	-162.4	79.2	27.4	0	0	113	R121 T122 N124 G143 S165 E184	R121-Q141 HydrophobicContact CB-CB 4.11Å; R121-Q141 WeakPolarHBondContact CD-O 3.38Å; R121-Q141 PolarHBondContact NH1-O 2.95Å; T122-Q141 PolarHBondContact O-N 3.41Å; T122-Q141 WeakPolarHBondContact OG1-CB 3.43Å; N124-Q141 PolarHBondContact ND2-OE1 3.37Å; Q141-G143 VanDerWaalsContact C-N 3.34Å; Q141-S165 PolarHBondContact NE2-OG 2.97Å; Q141-S165 VanDerWaalsContact NE2-OG 3.07Å; Q141-S165 PolarHBondContact OE1-OG 2.94Å; Q141-E184 PolarHBondContact NE2-OE2 2.93Å
142	D	92.4	Very high	92.8	Very high	20 Å²	20	31.9 Å²	31.9	11%	0.107	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-2.4	165.9	60	37.8	0	0	0	114	H119 K120 R121 S140 F144	H119-D142 VanDerWaalsContact CA-OD2 3.25Å; H119-D142 WeakPolarHBondContact CA-OD2 3.35Å; H119-D142 WeakPolarHBondContact CB-OD2 3.4Å; H119-D142 IonicContact CE1-OD1 3.15Å; H119-D142 IonicContact CG-OD2 2.66Å; H119-D142 IonicContact ND1-OD1 3.47Å; H119-D142 PolarHBondContact ND1-OD1 3.47Å; H119-D142 IonicContact ND1-OD2 2.68Å; H119-D142 PolarHBondContact ND1-OD2 3.18Å; K120-D142 HydrophobicContact CB-CB 4.33Å; K120-D142 PolarHBondContact N-OD2 3.34Å; R121-D142 HydrophobicContact CB-CB 4.06Å; R121-D142 HydrophobicContact CG-CB 4.2Å; S140-D142 VanDerWaalsContact CB-OD1 3.27Å; S140-D142 WeakPolarHBondContact CB-OD1 3.43Å; S140-D142 PolarHBondContact O-N 2.96Å; S140-D142 PolarHBondContact OG-N 2.73Å; S140-D142 PolarHBondContact OG-OD1 3.19Å; S140-D142 PolarHBondContact OG-OD2 3.49Å; D142-F144 VanDerWaalsContact C-N 3.28Å; D142-F144 HydrophobicContact CB-CD2 4.37Å; D142-F144 WeakPolarHBondContact O-CD2 3.28Å; D142-F144 PolarHBondContact O-N 2.88Å; D142-F144 WeakPolarHBondContact OD1-CB 3.29Å; D142-F144 PolarHBondContact OD1-N 3.33Å
143	G	91.9	Very high	92.6	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.01	17%	0.169	C	C	.	.	S	Bend	trans	78.7	7.5	177.3	0	0	0	0	0	115.1	S140 Q141 G161 E164	S140-G143 PolarHBondContact O-N 3.21Å; Q141-G143 VanDerWaalsContact C-N 3.34Å; G143-G161 WeakPolarHBondContact O-CA 3.35Å; G143-G161 PolarHBondContact O-N 3.37Å; G143-E164 WeakPolarHBondContact CA-O 3.42Å
144	F	94.5	Very high	92.7	Very high	79 Å²	79	44.1 Å²	44.1	35%	0.346	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	152.7	168.9	-61.6	-83.4	0	0	0	111.3	H119 S140 D142 T158 F159	H119-F144 PolarHBondContact CE1-O 3.36Å; H119-F144 VanDerWaalsContact CE1-O 3.32Å; S140-F144 PolarHBondContact N-O 3.26Å; D142-F144 VanDerWaalsContact C-N 3.28Å; D142-F144 HydrophobicContact CB-CD2 4.37Å; D142-F144 WeakPolarHBondContact O-CD2 3.28Å; D142-F144 PolarHBondContact O-N 2.88Å; D142-F144 WeakPolarHBondContact OD1-CB 3.29Å; D142-F144 PolarHBondContact OD1-N 3.33Å; F144-T158 HydrophobicContact CB-CG2 4.11Å; F144-T158 HydrophobicContact CD1-CG2 3.73Å; F144-T158 HydrophobicContact CG-CG2 4.23Å; F144-F159 WeakPolarHBondContact CA-O 3.3Å
145	M	95.4	Very high	92.6	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	141.9	166.1	-53.7	165.4	-67.1	0	0	107.7	L137 S138 T158 F159 V166 V169 F179 A181 F183 W191	L137-M145 HydrophobicContact CD1-CB 4.44Å; S138-M145 WeakPolarHBondContact O-CA 3.42Å; S138-M145 WeakPolarHBondContact O-CB 3.31Å; M145-T158 CarbonylContact O-C 3.58Å; M145-T158 WeakPolarHBondContact O-CA 3.43Å; M145-F159 HydrophobicContact CB-CB 4.26Å; M145-F159 HydrophobicContact CB-CD2 4.42Å; M145-F159 HydrophobicContact CE-CB 3.63Å; M145-F159 PolarHBondContact N-O 2.85Å; M145-F159 PolarHBondContact O-N 3.19Å; M145-V166 HydrophobicContact CG-CB 4.43Å; M145-V166 HydrophobicContact CG-CG1 4.05Å; M145-V166 HydrophobicContact CG-CG2 3.7Å; M145-V166 HydrophobicContact SD-CG1 4.23Å; M145-V166 HydrophobicContact SD-CG2 4.23Å; M145-V169 HydrophobicContact CG-CG1 4.14Å; M145-V169 HydrophobicContact SD-CG1 3.92Å; M145-F179 HydrophobicContact CE-CE2 4.04Å; M145-F179 HydrophobicContact CE-CZ 4.36Å; M145-F179 HydrophobicContact SD-CE2 3.82Å; M145-A181 HydrophobicContact CE-CB 4.27Å; M145-A181 HydrophobicContact SD-CB 3.27Å; M145-A181 WeakPolarHBondContact SD-CB 3.31Å; M145-F183 HydrophobicContact CE-CZ 4.44Å; M145-F183 HydrophobicContact SD-CZ 4.42Å; M145-W191 HydrophobicContact CE-CD2 4.19Å; M145-W191 HydrophobicContact CE-CG 4.34Å; M145-W191 HydrophobicContact CE-CZ2 4.02Å
146	K	95.3	Very high	92.5	Very high	20 Å²	20	42.6 Å²	42.6	9%	0.087	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	132	-177.6	-74	177.3	171.8	-78.9	0	110.5	E118 L137 S138 F148 S155 S157 T158	E118-K146 HydrophobicContact CB-CD 3.72Å; E118-K146 VanDerWaalsContact CB-CE 3.48Å; E118-K146 IonicContact OE2-NZ 3.34Å; E118-K146 PolarHBondContact OE2-NZ 3.14Å; L137-K146 WeakPolarHBondContact CA-O 3.46Å; S138-K146 PolarHBondContact N-O 3.44Å; S138-K146 PolarHBondContact O-N 2.73Å; S138-K146 VanDerWaalsContact O-N 3.11Å; S138-K146 PolarHBondContact OG-O 3.34Å; K146-F148 HydrophobicContact CB-CE1 4.28Å; K146-F148 HydrophobicContact CB-CE2 3.86Å; K146-F148 HydrophobicContact CB-CZ 3.63Å; K146-F148 HydrophobicContact CD-CZ 4.16Å; K146-S155 PolarHBondContact NZ-OG 2.99Å; K146-S157 WeakPolarHBondContact CA-O 3.42Å; K146-T158 HydrophobicContact CG-CG2 4.1Å; K146-T158 PolarHBondContact NZ-OG1 2.96Å
147	C	95	Very high	92.4	Very high	5 Å²	5	43.5 Å²	43.5	3%	0.034	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	122.5	169.7	-170	0	0	0	0	109	L136 L137 V156 S157 F159	L136-C147 CarbonylContact O-C 3.58Å; L136-C147 WeakPolarHBondContact O-CA 3.42Å; L137-C147 HydrophobicContact CD1-CB 4.44Å; C147-V156 PolarHBondContact O-N 3.19Å; C147-S157 WeakPolarHBondContact CB-OG 3.39Å; C147-S157 PolarHBondContact N-O 3.37Å; C147-S157 PolarHBondContact O-N 2.84Å; C147-F159 HydrophobicContact CB-CE2 3.99Å
148	F	94.1	Very high	92.3	Very high	1 Å²	1	46 Å²	46	0%	0.004	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	141.8	176.3	-51.9	-84	0	0	0	109.8	V99 F116 L136 S138 K146	V99-F148 HydrophobicContact CB-CE2 4.29Å; V99-F148 HydrophobicContact CG1-CE2 4.34Å; V99-F148 HydrophobicContact CG2-CE2 4.05Å; V99-F148 HydrophobicContact CG2-CZ 4.31Å; F116-F148 HydrophobicContact CB-CD1 4.11Å; F116-F148 HydrophobicContact CB-CE1 3.55Å; F116-F148 HydrophobicContact CB-CZ 3.94Å; F116-F148 AromaticContact CD1-CD1 3.46Å; F116-F148 HydrophobicContact CD1-CD1 3.46Å; F116-F148 VanDerWaalsContact CD1-CD1 3.46Å; F116-F148 AromaticContact CD1-CE1 3.75Å; F116-F148 HydrophobicContact CD1-CE1 3.75Å; F116-F148 HydrophobicContact CD1-CG 4.31Å; F116-F148 AromaticContact CD2-CD1 3.97Å; F116-F148 HydrophobicContact CD2-CD1 3.97Å; F116-F148 HydrophobicContact CD2-CE1 4.2Å; F116-F148 HydrophobicContact CD2-CG 4.15Å; F116-F148 HydrophobicContact CE1-CB 4.35Å; F116-F148 AromaticContact CE1-CD1 3.74Å; F116-F148 HydrophobicContact CE1-CD1 3.74Å; F116-F148 HydrophobicContact CE1-CE1 4.48Å; F116-F148 HydrophobicContact CE1-CG 4.3Å; F116-F148 HydrophobicContact CE2-CB 4.24Å; F116-F148 HydrophobicContact CE2-CD1 4.23Å; F116-F148 HydrophobicContact CE2-CG 4.15Å; F116-F148 AromaticContact CG-CD1 3.58Å; F116-F148 HydrophobicContact CG-CD1 3.58Å; F116-F148 AromaticContact CG-CE1 3.58Å; F116-F148 HydrophobicContact CG-CE1 3.58Å; F116-F148 HydrophobicContact CG-CG 4.23Å; F116-F148 HydrophobicContact CG-CZ 4.22Å; F116-F148 HydrophobicContact CZ-CB 4.03Å; F116-F148 HydrophobicContact CZ-CD1 4.12Å; F116-F148 HydrophobicContact CZ-CG 4.22Å; L136-F148 HydrophobicContact CG-CD2 4.39Å; L136-F148 PolarHBondContact N-O 2.94Å; L136-F148 VanDerWaalsContact N-O 3.09Å; L136-F148 PolarHBondContact O-N 2.97Å; S138-F148 WeakPolarHBondContact OG-CE2 3.18Å; K146-F148 HydrophobicContact CB-CE1 4.28Å; K146-F148 HydrophobicContact CB-CE2 3.86Å; K146-F148 HydrophobicContact CB-CZ 3.63Å; K146-F148 HydrophobicContact CD-CZ 4.16Å
149	D	93	Very high	92.2	Very high	15 Å²	15	46 Å²	46	8%	0.08	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	114.2	162.9	175.4	-9.9	0	0	0	106.6	Y134 R151 K152 V156	Y134-D149 CarbonylContact O-C 3.43Å; Y134-D149 VanDerWaalsContact O-CA 3.29Å; Y134-D149 WeakPolarHBondContact O-CA 3.16Å; D149-R151 VanDerWaalsContact CG-NH2 3.34Å; D149-R151 PolarHBondContact O-N 3.49Å; D149-R151 VanDerWaalsContact OD1-CB 3.29Å; D149-R151 WeakPolarHBondContact OD1-CB 3.32Å; D149-R151 WeakPolarHBondContact OD1-CG 3.28Å; D149-R151 IonicContact OD1-CZ 2.77Å; D149-R151 PolarHBondContact OD1-N 2.66Å; D149-R151 IonicContact OD1-NE 2.69Å; D149-R151 PolarHBondContact OD1-NE 2.97Å; D149-R151 IonicContact OD1-NH2 3.48Å; D149-R151 PolarHBondContact OD1-NH2 3.05Å; D149-R151 IonicContact OD2-CZ 3.63Å; D149-R151 IonicContact OD2-NE 3.67Å; D149-R151 PolarHBondContact OD2-NE 2.94Å; D149-R151 IonicContact OD2-NH2 3.46Å; D149-R151 PolarHBondContact OD2-NH2 2.9Å; D149-K152 HydrophobicContact CB-CD 4.28Å; D149-K152 HydrophobicContact CB-CG 4.36Å; D149-K152 WeakPolarHBondContact O-CA 3.47Å; D149-K152 WeakPolarHBondContact O-CB 3.35Å; D149-K152 PolarHBondContact O-N 3.01Å; D149-V156 HydrophobicContact CB-CG2 3.44Å; D149-V156 VanDerWaalsContact CB-CG2 3.44Å
150	L	90.3	Very high	92	Very high	17 Å²	17	48 Å²	48	9%	0.089	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-5.9	-175.6	-58	-174.3	0	0	0	114	L89 T101 Q114 F116 F128 Y134 L136 K152	L89-L150 HydrophobicContact CD1-CD1 4.37Å; L89-L150 HydrophobicContact CD2-CD1 3.73Å; T101-L150 HydrophobicContact CG2-CD2 3.82Å; Q114-L150 PolarHBondContact NE2-O 3.13Å; Q114-L150 PolarHBondContact OE1-O 3.03Å; F116-L150 HydrophobicContact CE2-CD2 4.14Å; F116-L150 HydrophobicContact CZ-CD2 4.16Å; F128-L150 HydrophobicContact CE1-CD1 4.22Å; Y134-L150 HydrophobicContact CD1-CB 4.39Å; Y134-L150 PolarHBondContact O-N 3.48Å; L136-L150 HydrophobicContact CB-CD2 4.36Å; L136-L150 HydrophobicContact CD2-CD2 4.27Å; L150-K152 VanDerWaalsContact C-N 3.27Å
151	R	89.9	Confident	91.3	Very high	154 Å²	154	48 Å²	48	58%	0.581	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83	-4.8	170	-56.9	167.1	-64.5	-160.6	1.2	112.3	Y134 D149	Y134-R151 HydrophobicContact CD1-CG 4.38Å; Y134-R151 HydrophobicContact CD2-CG 4.17Å; Y134-R151 HydrophobicContact CG-CG 4.02Å; D149-R151 VanDerWaalsContact CG-NH2 3.34Å; D149-R151 PolarHBondContact O-N 3.49Å; D149-R151 VanDerWaalsContact OD1-CB 3.29Å; D149-R151 WeakPolarHBondContact OD1-CB 3.32Å; D149-R151 WeakPolarHBondContact OD1-CG 3.28Å; D149-R151 IonicContact OD1-CZ 2.77Å; D149-R151 PolarHBondContact OD1-N 2.66Å; D149-R151 IonicContact OD1-NE 2.69Å; D149-R151 PolarHBondContact OD1-NE 2.97Å; D149-R151 IonicContact OD1-NH2 3.48Å; D149-R151 PolarHBondContact OD1-NH2 3.05Å; D149-R151 IonicContact OD2-CZ 3.63Å; D149-R151 IonicContact OD2-NE 3.67Å; D149-R151 PolarHBondContact OD2-NE 2.94Å; D149-R151 IonicContact OD2-NH2 3.46Å; D149-R151 PolarHBondContact OD2-NH2 2.9Å
152	K	88.8	Confident	90.7	Very high	106 Å²	106	52.6 Å²	52.6	46%	0.461	25%	0.254	S	S	.	.	S	Bend	trans	-125.2	162.3	-178.7	-55.6	-178.8	-169.7	175.2	0	110.5	Q114 D149 L150 V156	Q114-K152 PolarHBondContact OE1-O 2.95Å; D149-K152 HydrophobicContact CB-CD 4.28Å; D149-K152 HydrophobicContact CB-CG 4.36Å; D149-K152 WeakPolarHBondContact O-CA 3.47Å; D149-K152 WeakPolarHBondContact O-CB 3.35Å; D149-K152 PolarHBondContact O-N 3.01Å; L150-K152 VanDerWaalsContact C-N 3.27Å; K152-V156 HydrophobicContact CD-CG2 3.81Å
153	K	83.9	Confident	89.9	Confident	187 Å²	187	56.7 Å²	56.7	81%	0.813	29%	0.285	S	S	*	.	S	Bend	trans	-95.1	-3.5	179.9	-66.7	-174.2	176.6	-178.4	0	114.6
154	E	86.1	Confident	89.8	Confident	145 Å²	145	59.9 Å²	59.9	68%	0.678	30%	0.299	S	S	*	.	S	Bend	trans	-134.6	155	-172.1	-64	173.2	173.6	0	0	108.9	E118	E118-E154 WeakPolarHBondContact OE1-CA 3.41Å
155	S	88.8	Confident	89.7	Confident	27 Å²	27	56.7 Å²	56.7	19%	0.189	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	141.9	176.1	65.3	0	0	0	0	111.9	E118 K146 T158	E118-S155 PolarHBondContact OE1-N 2.9Å; E118-S155 WeakPolarHBondContact OE2-CB 3.46Å; E118-S155 PolarHBondContact OE2-OG 3.31Å; K146-S155 PolarHBondContact NZ-OG 2.99Å; S155-T158 PolarHBondContact OG-OG1 3.15Å
156	V	90.8	Very high	89.7	Confident	77 Å²	77	56.7 Å²	56.7	47%	0.467	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	-32	177.6	172.7	0	0	0	0	111.3	C147 D149 K152	C147-V156 PolarHBondContact O-N 3.19Å; D149-V156 HydrophobicContact CB-CG2 3.44Å; D149-V156 VanDerWaalsContact CB-CG2 3.44Å; K152-V156 HydrophobicContact CD-CG2 3.81Å
157	S	91.9	Very high	89.7	Confident	18 Å²	18	58.7 Å²	58.7	13%	0.126	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	143.7	175.4	48.2	0	0	0	0	111	K146 C147 F159	K146-S157 WeakPolarHBondContact CA-O 3.42Å; C147-S157 WeakPolarHBondContact CB-OG 3.39Å; C147-S157 PolarHBondContact N-O 3.37Å; C147-S157 PolarHBondContact O-N 2.84Å; S157-F159 VanDerWaalsContact OG-CE2 3.28Å; S157-F159 WeakPolarHBondContact OG-CE2 3.3Å; S157-F159 WeakPolarHBondContact OG-CZ 3.42Å
158	T	93.8	Very high	89.7	Confident	53 Å²	53	58.6 Å²	58.6	33%	0.325	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	127	171.8	-60.7	0	0	0	0	107.7	F144 M145 K146 S155	F144-T158 HydrophobicContact CB-CG2 4.11Å; F144-T158 HydrophobicContact CD1-CG2 3.73Å; F144-T158 HydrophobicContact CG-CG2 4.23Å; M145-T158 CarbonylContact O-C 3.58Å; M145-T158 WeakPolarHBondContact O-CA 3.43Å; K146-T158 HydrophobicContact CG-CG2 4.1Å; K146-T158 PolarHBondContact NZ-OG1 2.96Å; S155-T158 PolarHBondContact OG-OG1 3.15Å
159	F	94.2	Very high	89.8	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	134.9	-178.8	-51.9	-99.9	0	0	0	108.4	F144 M145 C147 S157 F179 W191 P196	F144-F159 WeakPolarHBondContact CA-O 3.3Å; M145-F159 HydrophobicContact CB-CB 4.26Å; M145-F159 HydrophobicContact CB-CD2 4.42Å; M145-F159 HydrophobicContact CE-CB 3.63Å; M145-F159 PolarHBondContact N-O 2.85Å; M145-F159 PolarHBondContact O-N 3.19Å; C147-F159 HydrophobicContact CB-CE2 3.99Å; S157-F159 VanDerWaalsContact OG-CE2 3.28Å; S157-F159 WeakPolarHBondContact OG-CE2 3.3Å; S157-F159 WeakPolarHBondContact OG-CZ 3.42Å; F159-F179 HydrophobicContact CD1-CE1 4.19Å; F159-F179 AromaticContact CD1-CZ 3.87Å; F159-F179 HydrophobicContact CD1-CZ 3.87Å; F159-F179 HydrophobicContact CD2-CE1 4.47Å; F159-F179 AromaticContact CD2-CZ 3.95Å; F159-F179 HydrophobicContact CD2-CZ 3.95Å; F159-F179 AromaticContact CE1-CE1 3.82Å; F159-F179 HydrophobicContact CE1-CE1 3.82Å; F159-F179 AromaticContact CE1-CZ 3.98Å; F159-F179 HydrophobicContact CE1-CZ 3.98Å; F159-F179 HydrophobicContact CE2-CE1 4.14Å; F159-F179 HydrophobicContact CE2-CZ 4.06Å; F159-F179 AromaticContact CG-CZ 3.88Å; F159-F179 HydrophobicContact CG-CZ 3.88Å; F159-F179 AromaticContact CZ-CE1 3.8Å; F159-F179 HydrophobicContact CZ-CE1 3.8Å; F159-F179 HydrophobicContact CZ-CZ 4.08Å; F159-W191 HydrophobicContact CB-CD2 4.46Å; F159-W191 HydrophobicContact CB-CE3 4.17Å; F159-W191 HydrophobicContact CB-CH2 4.28Å; F159-W191 HydrophobicContact CB-CZ3 4.05Å; F159-W191 HydrophobicContact CD1-CD2 4.19Å; F159-W191 AromaticContact CD1-CE3 3.55Å; F159-W191 HydrophobicContact CD1-CE3 3.55Å; F159-W191 AromaticContact CD1-CZ3 3.96Å; F159-W191 HydrophobicContact CD1-CZ3 3.96Å; F159-W191 HydrophobicContact CE1-CE3 4.44Å; F159-W191 HydrophobicContact CG-CE3 4.31Å; F159-P196 HydrophobicContact CD1-CB 3.89Å; F159-P196 HydrophobicContact CE1-CB 3.89Å; F159-P196 HydrophobicContact CG-CB 4.46Å; F159-P196 HydrophobicContact CZ-CB 4.45Å
160	S	91.6	Very high	89.9	Confident	42 Å²	42	59.3 Å²	59.3	29%	0.294	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	112	-177.5	-178.8	0	0	0	0	111.8	Q162 W191	S160-Q162 PolarHBondContact O-N 2.76Å; S160-Q162 VanDerWaalsContact O-N 3.09Å; S160-Q162 PolarHBondContact O-NE2 2.95Å; S160-W191 WeakPolarHBondContact O-CH2 3.42Å
161	G	80.5	Confident	90.1	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.01	29%	0.292	C	S	.	.			trans	-73.3	13.4	175.7	0	0	0	0	0	115.1	G143	G143-G161 WeakPolarHBondContact O-CA 3.35Å; G143-G161 PolarHBondContact O-N 3.37Å
162	Q	81.8	Confident	90.1	Very high	137 Å²	137	51.4 Å²	51.4	64%	0.64	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.5	43.4	-172.8	-49.7	-58.8	-68.9	0	0	113.3	S160 E164	S160-Q162 PolarHBondContact O-N 2.76Å; S160-Q162 VanDerWaalsContact O-N 3.09Å; S160-Q162 PolarHBondContact O-NE2 2.95Å; Q162-E164 PolarHBondContact O-N 3.45Å; Q162-E164 VanDerWaalsContact O-N 3.11Å
163	S	75.9	Confident	89.8	Confident	106 Å²	106	49.6 Å²	49.6	74%	0.741	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.1	3.7	-179.2	-53.5	0	0	0	0	116
164	E	89.7	Confident	89.5	Confident	68 Å²	68	45.4 Å²	45.4	32%	0.318	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-83.1	135.9	177.2	-72	-80.3	-157.8	0	0	111.8	G143 Q162 V166 F183 N185	G143-E164 WeakPolarHBondContact CA-O 3.42Å; Q162-E164 PolarHBondContact O-N 3.45Å; Q162-E164 VanDerWaalsContact O-N 3.11Å; E164-V166 PolarHBondContact O-N 3.11Å; E164-F183 HydrophobicContact CB-CD1 3.72Å; E164-F183 HydrophobicContact CB-CE1 4.35Å; E164-F183 WeakPolarHBondContact O-CD1 3.39Å; E164-F183 WeakPolarHBondContact O-CE1 3.26Å; E164-N185 VanDerWaalsContact CG-ND2 3.35Å; E164-N185 WeakPolarHBondContact CG-ND2 3.33Å; E164-N185 VanDerWaalsContact OE1-CB 3.27Å; E164-N185 WeakPolarHBondContact OE1-CB 3.3Å; E164-N185 PolarHBondContact OE1-ND2 3Å
165	S	93.4	Very high	89.5	Confident	11 Å²	11	40.9 Å²	40.9	8%	0.077	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-62.4	128	-176.9	160.8	0	0	0	0	112.7	Q141 F183 E184	Q141-S165 PolarHBondContact NE2-OG 2.97Å; Q141-S165 VanDerWaalsContact NE2-OG 3.07Å; Q141-S165 PolarHBondContact OE1-OG 2.94Å; S165-F183 WeakPolarHBondContact O-CA 3.49Å; S165-E184 WeakPolarHBondContact CB-OE2 3.28Å; S165-E184 PolarHBondContact O-N 2.85Å; S165-E184 PolarHBondContact OG-OE2 3.09Å
166	V	95.8	Very high	89.5	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	122	177.1	-173.7	0	0	0	0	109.4	N124 S140 M145 E164 V169 F183	N124-V166 PolarHBondContact ND2-O 2.89Å; S140-V166 PolarHBondContact O-N 3.42Å; S140-V166 VanDerWaalsContact O-N 3.17Å; M145-V166 HydrophobicContact CG-CB 4.43Å; M145-V166 HydrophobicContact CG-CG1 4.05Å; M145-V166 HydrophobicContact CG-CG2 3.7Å; M145-V166 HydrophobicContact SD-CG1 4.23Å; M145-V166 HydrophobicContact SD-CG2 4.23Å; E164-V166 PolarHBondContact O-N 3.11Å; V166-V169 HydrophobicContact CG1-CG1 3.57Å; V166-F183 HydrophobicContact CG2-CD1 4.27Å; V166-F183 HydrophobicContact CG2-CE1 3.57Å; V166-F183 HydrophobicContact CG2-CZ 4.04Å
167	R	94.9	Very high	89.4	Confident	62 Å²	62	43.2 Å²	43.2	23%	0.234	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	-39	-175.2	-59.5	-59.2	-60.9	178.7	-3.7	113	S182 E184 V210	R167-S182 PolarHBondContact N-O 2.94Å; R167-E184 WeakPolarHBondContact CD-OE2 3.24Å; R167-E184 HydrophobicContact CG-CB 4.26Å; R167-E184 IonicContact NH1-OE2 3.68Å; R167-V210 WeakPolarHBondContact CB-O 3.39Å
168	D	95.4	Very high	89.5	Confident	3 Å²	3	43.5 Å²	43.5	2%	0.016	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	150.6	176.6	-158.4	-4	0	0	0	110.5	K125 A181 S182 C212 C213	K125-D168 WeakPolarHBondContact CD-OD1 3.3Å; K125-D168 WeakPolarHBondContact CE-OD1 3.38Å; K125-D168 WeakPolarHBondContact CG-OD1 3.29Å; D168-A181 WeakPolarHBondContact O-CA 3.31Å; D168-S182 WeakPolarHBondContact CB-OG 3.4Å; D168-S182 PolarHBondContact N-OG 2.62Å; D168-S182 PolarHBondContact O-N 3.47Å; D168-C212 WeakPolarHBondContact OD2-CA 3.5Å; D168-C213 PolarHBondContact OD2-N 2.66Å
169	V	95.9	Very high	89.5	Confident	2 Å²	2	41 Å²	41	1%	0.012	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	134.4	174.2	-71.2	0	0	0	0	110.6	K125 C127 L137 M145 V166 A180 A181	K125-V169 HydrophobicContact CB-CG2 4.1Å; K125-V169 HydrophobicContact CG-CG2 4.48Å; C127-V169 WeakPolarHBondContact CB-O 3.1Å; L137-V169 HydrophobicContact CD2-CB 3.88Å; L137-V169 HydrophobicContact CD2-CG2 4.2Å; L137-V169 HydrophobicContact CG-CB 4.29Å; L137-V169 HydrophobicContact CG-CG2 4.13Å; M145-V169 HydrophobicContact CG-CG1 4.14Å; M145-V169 HydrophobicContact SD-CG1 3.92Å; V166-V169 HydrophobicContact CG1-CG1 3.57Å; V169-A180 WeakPolarHBondContact CA-O 3.43Å; V169-A181 HydrophobicContact CG1-CB 4.06Å
170	Q	95.2	Very high	89.5	Confident	29 Å²	29	41 Å²	41	14%	0.136	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	129.5	179.5	-158.2	-171.8	38.9	0	0	113.2	F179 A180 D214 W215	Q170-F179 WeakPolarHBondContact O-CA 3.46Å; Q170-A180 PolarHBondContact N-O 2.99Å; Q170-A180 PolarHBondContact O-N 2.66Å; Q170-D214 PolarHBondContact NE2-OD1 3.14Å; Q170-D214 VanDerWaalsContact OE1-CA 3.25Å; Q170-D214 PolarHBondContact OE1-OD1 3.01Å; Q170-W215 PolarHBondContact O-NE1 3.41Å; Q170-W215 VanDerWaalsContact O-NE1 3.09Å
171	F	94	Very high	89.7	Confident	2 Å²	2	39 Å²	39	1%	0.009	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	145.4	169.7	-72.3	-69.7	0	0	0	112.3	C127 F128 H129 P130 L137 F179 I193	C127-F171 HydrophobicContact CB-CD2 4.4Å; C127-F171 WeakPolarHBondContact O-CE2 3.41Å; F128-F171 WeakPolarHBondContact O-CD2 3.5Å; H129-F171 HydrophobicContact CB-CD2 4.14Å; H129-F171 HydrophobicContact CB-CE2 3.95Å; H129-F171 HydrophobicContact CB-CZ 4.23Å; H129-F171 AromaticContact CD2-CD1 3.6Å; H129-F171 AromaticContact CD2-CE1 3.85Å; H129-F171 AromaticContact CD2-CG 3.79Å; P130-F171 HydrophobicContact CG-CB 4.47Å; L137-F171 HydrophobicContact CB-CD2 4.37Å; L137-F171 HydrophobicContact CB-CE2 3.49Å; L137-F171 VanDerWaalsContact CB-CE2 3.49Å; L137-F171 HydrophobicContact CB-CZ 3.61Å; L137-F171 HydrophobicContact CD2-CE1 4.35Å; L137-F171 HydrophobicContact CD2-CE2 4.28Å; L137-F171 HydrophobicContact CD2-CZ 4.17Å; L137-F171 HydrophobicContact CG-CZ 4.42Å; F171-F179 HydrophobicContact CD1-CB 3.81Å; F171-F179 HydrophobicContact CE1-CB 4.31Å; F171-F179 HydrophobicContact CE1-CD1 4.48Å; F171-F179 HydrophobicContact CG-CB 4.43Å; F171-I193 HydrophobicContact CE1-CG2 3.97Å
172	S	90.2	Very high	90.4	Very high	4 Å²	4	38.9 Å²	38.9	3%	0.028	19%	0.191	C	C	.	.			trans	-65.5	132.7	169.1	175.6	0	0	0	0	110.3	K174 D175 T178	S172-K174 PolarHBondContact O-N 3.36Å; S172-K174 VanDerWaalsContact O-N 3.14Å; S172-K174 PolarHBondContact OG-N 2.88Å; S172-D175 PolarHBondContact OG-N 3.41Å; S172-D175 VanDerWaalsContact OG-N 3.09Å; S172-T178 WeakPolarHBondContact CB-O 3.2Å; S172-T178 PolarHBondContact N-O 3.12Å
173	M	82.3	Confident	91.1	Very high	67 Å²	67	32.4 Å²	32.4	33%	0.33	16%	0.161	S	C	.	.	S	Bend	trans	-69	-6.8	177.7	-64.8	-66	-75.6	0	0	113.7	P130 W215	P130-M173 HydrophobicContact CB-SD 4.1Å; P130-M173 HydrophobicContact CG-SD 4.46Å; M173-W215 HydrophobicContact CG-CB 4.44Å
174	K	77.5	Confident	92	Very high	99 Å²	99	30.6 Å²	30.6	43%	0.43	14%	0.141	S	C	.	.	S	Bend	trans	-135.2	-33.8	-174.8	-55	-163.1	-173.4	-159.2	0	114.6	S172 Y176 P217 D218 R220	S172-K174 PolarHBondContact O-N 3.36Å; S172-K174 VanDerWaalsContact O-N 3.14Å; S172-K174 PolarHBondContact OG-N 2.88Å; K174-Y176 PolarHBondContact O-N 3.02Å; K174-P217 WeakPolarHBondContact CE-O 3.28Å; K174-P217 PolarHBondContact NZ-O 2.57Å; K174-D218 VanDerWaalsContact NZ-C 3.31Å; K174-D218 PolarHBondContact NZ-O 3.39Å; K174-R220 HydrophobicContact CB-CG 4.3Å; K174-R220 HydrophobicContact CD-CB 4.18Å; K174-R220 HydrophobicContact CD-CG 4.39Å
175	D	85.3	Confident	92.1	Very high	50 Å²	50	30.4 Å²	30.4	27%	0.267	14%	0.142	S	C	.	.			trans	-100.2	86.4	-179.2	-74.6	-61.4	0	0	0	109.6	S172 F177 T178 R220	S172-D175 PolarHBondContact OG-N 3.41Å; S172-D175 VanDerWaalsContact OG-N 3.09Å; D175-F177 PolarHBondContact O-N 2.89Å; D175-T178 PolarHBondContact O-N 3.47Å; D175-R220 IonicContact OD1-CZ 2.66Å; D175-R220 IonicContact OD1-NE 3.36Å; D175-R220 PolarHBondContact OD1-NE 3.06Å; D175-R220 IonicContact OD1-NH2 3.5Å; D175-R220 PolarHBondContact OD1-NH2 2.83Å; D175-R220 IonicContact OD2-CZ 2.7Å; D175-R220 IonicContact OD2-NE 2.77Å; D175-R220 PolarHBondContact OD2-NE 2.79Å; D175-R220 IonicContact OD2-NH2 2.76Å
176	Y	88.4	Confident	92	Very high	78 Å²	78	29.9 Å²	29.9	31%	0.306	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-37.6	-38.9	-175.5	175.5	-71.4	0	0	0	115.4	H129 T131 E132 K174 I193	H129-Y176 AromaticContact CE1-CD2 3.58Å; H129-Y176 AromaticContact CE1-CE2 3.92Å; H129-Y176 AromaticContact CE1-CG 3.92Å; H129-Y176 PolarHBondContact NE2-O 3.45Å; T131-Y176 WeakPolarHBondContact OG1-CD2 3.49Å; E132-Y176 HydrophobicContact CG-CE2 3.65Å; E132-Y176 WeakPolarHBondContact CG-OH 3.4Å; E132-Y176 PolarHBondContact OE1-OH 2.9Å; E132-Y176 PolarHBondContact OE2-OH 3.07Å; K174-Y176 PolarHBondContact O-N 3.02Å; Y176-I193 HydrophobicContact CD1-CD1 4.47Å; Y176-I193 HydrophobicContact CE1-CD1 4.16Å
177	F	90.7	Very high	91.9	Very high	75 Å²	75	30.9 Å²	30.9	33%	0.329	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-9.3	-175.4	-63.4	-74.5	0	0	0	113.7	D175 D192 I193 R194	D175-F177 PolarHBondContact O-N 2.89Å; F177-D192 CarbonylContact O-C 3.56Å; F177-D192 VanDerWaalsContact O-CA 3.31Å; F177-D192 WeakPolarHBondContact O-CA 3.4Å; F177-I193 HydrophobicContact CB-CG1 4.32Å; F177-I193 HydrophobicContact CD1-CD1 3.99Å; F177-I193 HydrophobicContact CD1-CG1 3.88Å; F177-I193 PolarHBondContact O-N 2.84Å; F177-R194 VanDerWaalsContact CD1-CD 3.41Å; F177-R194 HydrophobicContact CD1-CG 3.64Å; F177-R194 VanDerWaalsContact CD2-NH1 3.28Å; F177-R194 HydrophobicContact CE1-CG 3.97Å; F177-R194 VanDerWaalsContact CG-CZ 3.41Å
178	T	92.1	Very high	91.9	Very high	24 Å²	24	28 Å²	28	15%	0.147	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	133.8	-164.6	-55.9	0	0	0	0	112.2	S172 D175 W191	S172-T178 WeakPolarHBondContact CB-O 3.2Å; S172-T178 PolarHBondContact N-O 3.12Å; D175-T178 PolarHBondContact O-N 3.47Å; T178-W191 WeakPolarHBondContact CA-O 3.37Å
179	F	94.6	Very high	91.9	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	156.7	167.7	67.9	-88.6	0	0	0	112	L137 M145 F159 Q170 F171 L190 W191 I193	L137-F179 HydrophobicContact CD1-CE2 4.28Å; L137-F179 HydrophobicContact CD1-CZ 4.27Å; L137-F179 HydrophobicContact CD2-CB 3.97Å; L137-F179 HydrophobicContact CD2-CD1 4.36Å; L137-F179 HydrophobicContact CD2-CD2 3.55Å; L137-F179 HydrophobicContact CD2-CE2 4.02Å; L137-F179 HydrophobicContact CD2-CG 3.73Å; M145-F179 HydrophobicContact CE-CE2 4.04Å; M145-F179 HydrophobicContact CE-CZ 4.36Å; M145-F179 HydrophobicContact SD-CE2 3.82Å; F159-F179 HydrophobicContact CD1-CE1 4.19Å; F159-F179 AromaticContact CD1-CZ 3.87Å; F159-F179 HydrophobicContact CD1-CZ 3.87Å; F159-F179 HydrophobicContact CD2-CE1 4.47Å; F159-F179 AromaticContact CD2-CZ 3.95Å; F159-F179 HydrophobicContact CD2-CZ 3.95Å; F159-F179 AromaticContact CE1-CE1 3.82Å; F159-F179 HydrophobicContact CE1-CE1 3.82Å; F159-F179 AromaticContact CE1-CZ 3.98Å; F159-F179 HydrophobicContact CE1-CZ 3.98Å; F159-F179 HydrophobicContact CE2-CE1 4.14Å; F159-F179 HydrophobicContact CE2-CZ 4.06Å; F159-F179 AromaticContact CG-CZ 3.88Å; F159-F179 HydrophobicContact CG-CZ 3.88Å; F159-F179 AromaticContact CZ-CE1 3.8Å; F159-F179 HydrophobicContact CZ-CE1 3.8Å; F159-F179 HydrophobicContact CZ-CZ 4.08Å; Q170-F179 WeakPolarHBondContact O-CA 3.46Å; F171-F179 HydrophobicContact CD1-CB 3.81Å; F171-F179 HydrophobicContact CE1-CB 4.31Å; F171-F179 HydrophobicContact CE1-CD1 4.48Å; F171-F179 HydrophobicContact CG-CB 4.43Å; F179-L190 WeakPolarHBondContact O-CA 3.38Å; F179-W191 HydrophobicContact CD1-CB 3.94Å; F179-W191 HydrophobicContact CD2-CB 4.17Å; F179-W191 HydrophobicContact CE1-CB 3.44Å; F179-W191 VanDerWaalsContact CE1-CB 3.44Å; F179-W191 HydrophobicContact CE1-CG 4.39Å; F179-W191 HydrophobicContact CE2-CB 3.7Å; F179-W191 AromaticContact CE2-CG 3.97Å; F179-W191 HydrophobicContact CE2-CG 3.97Å; F179-W191 HydrophobicContact CG-CB 4.29Å; F179-W191 HydrophobicContact CZ-CB 3.32Å; F179-W191 AromaticContact CZ-CG 3.8Å; F179-W191 HydrophobicContact CZ-CG 3.8Å; F179-W191 PolarHBondContact N-O 2.69Å; F179-W191 PolarHBondContact O-N 2.9Å; F179-I193 HydrophobicContact CD1-CG2 3.72Å; F179-I193 HydrophobicContact CE1-CG2 3.91Å
180	A	94.9	Very high	91.8	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	147.6	171.5	0	0	0	0	0	110.4	V169 Q170 Q189 L190 W215 L223	V169-A180 WeakPolarHBondContact CA-O 3.43Å; Q170-A180 PolarHBondContact N-O 2.99Å; Q170-A180 PolarHBondContact O-N 2.66Å; A180-Q189 WeakPolarHBondContact CA-O 3.31Å; A180-L190 HydrophobicContact CB-CD2 3.71Å; A180-W215 HydrophobicContact CB-CZ2 3.84Å; A180-L223 HydrophobicContact CB-CD1 4.29Å; A180-L223 HydrophobicContact CB-CD2 4.08Å
181	A	95.8	Very high	91.8	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	132.2	174.8	0	0	0	0	0	110.3	M145 D168 V169 F183 V188 Q189	M145-A181 HydrophobicContact CE-CB 4.27Å; M145-A181 HydrophobicContact SD-CB 3.27Å; M145-A181 WeakPolarHBondContact SD-CB 3.31Å; D168-A181 WeakPolarHBondContact O-CA 3.31Å; V169-A181 HydrophobicContact CG1-CB 4.06Å; A181-F183 HydrophobicContact CB-CE2 3.73Å; A181-F183 HydrophobicContact CB-CZ 4.15Å; A181-V188 WeakPolarHBondContact O-CA 3.37Å; A181-Q189 PolarHBondContact N-O 2.88Å; A181-Q189 PolarHBondContact O-N 3.38Å
182	S	95.6	Very high	91.7	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	136	-178.1	87.3	0	0	0	0	111.4	R167 D168 V210	R167-S182 PolarHBondContact N-O 2.94Å; D168-S182 WeakPolarHBondContact CB-OG 3.4Å; D168-S182 PolarHBondContact N-OG 2.62Å; D168-S182 PolarHBondContact O-N 3.47Å; S182-V210 WeakPolarHBondContact CB-O 3.32Å; S182-V210 PolarHBondContact OG-O 2.83Å
183	F	95.6	Very high	91.9	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	154.7	-170	-69.8	-90.6	0	0	0	113.8	M145 E164 S165 V166 A181 N185 G186 N187 Q189 V210	M145-F183 HydrophobicContact CE-CZ 4.44Å; M145-F183 HydrophobicContact SD-CZ 4.42Å; E164-F183 HydrophobicContact CB-CD1 3.72Å; E164-F183 HydrophobicContact CB-CE1 4.35Å; E164-F183 WeakPolarHBondContact O-CD1 3.39Å; E164-F183 WeakPolarHBondContact O-CE1 3.26Å; S165-F183 WeakPolarHBondContact O-CA 3.49Å; V166-F183 HydrophobicContact CG2-CD1 4.27Å; V166-F183 HydrophobicContact CG2-CE1 3.57Å; V166-F183 HydrophobicContact CG2-CZ 4.04Å; A181-F183 HydrophobicContact CB-CE2 3.73Å; A181-F183 HydrophobicContact CB-CZ 4.15Å; F183-N185 WeakPolarHBondContact CB-OD1 3.38Å; F183-N185 PolarHBondContact O-N 2.76Å; F183-G186 PolarHBondContact O-N 3.26Å; F183-N187 WeakPolarHBondContact CB-O 3.35Å; F183-N187 PolarHBondContact N-O 2.93Å; F183-Q189 HydrophobicContact CD2-CG 4.1Å; F183-Q189 HydrophobicContact CE2-CB 3.89Å; F183-Q189 HydrophobicContact CE2-CG 3.65Å; F183-Q189 HydrophobicContact CZ-CG 4.44Å; F183-V210 PolarHBondContact O-N 3.22Å
184	E	94	Very high	92.3	Very high	69 Å²	69	32 Å²	32	32%	0.322	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-19.2	-180	-159.1	157.2	163.1	0	0	113.2	Q141 S165 R167 G186 P209	Q141-E184 PolarHBondContact NE2-OE2 2.93Å; S165-E184 WeakPolarHBondContact CB-OE2 3.28Å; S165-E184 PolarHBondContact O-N 2.85Å; S165-E184 PolarHBondContact OG-OE2 3.09Å; R167-E184 WeakPolarHBondContact CD-OE2 3.24Å; R167-E184 HydrophobicContact CG-CB 4.26Å; R167-E184 IonicContact NH1-OE2 3.68Å; E184-G186 PolarHBondContact O-N 2.83Å; E184-P209 HydrophobicContact CG-CB 4.13Å; E184-P209 HydrophobicContact CG-CG 3.98Å; E184-P209 WeakPolarHBondContact O-CA 3.47Å; E184-P209 WeakPolarHBondContact O-CD 3.45Å; E184-P209 VanDerWaalsContact O-CG 3.24Å; E184-P209 WeakPolarHBondContact O-CG 3.43Å
185	N	91.9	Very high	92.9	Very high	63 Å²	63	33.6 Å²	33.6	34%	0.337	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	10.6	175.4	71.7	4.5	0	0	0	115.6	E164 F183 N187	E164-N185 VanDerWaalsContact CG-ND2 3.35Å; E164-N185 WeakPolarHBondContact CG-ND2 3.33Å; E164-N185 VanDerWaalsContact OE1-CB 3.27Å; E164-N185 WeakPolarHBondContact OE1-CB 3.3Å; E164-N185 PolarHBondContact OE1-ND2 3Å; F183-N185 WeakPolarHBondContact CB-OD1 3.38Å; F183-N185 PolarHBondContact O-N 2.76Å; N185-N187 VanDerWaalsContact CG-ND2 3.27Å; N185-N187 PolarHBondContact ND2-ND2 3.13Å; N185-N187 PolarHBondContact O-N 2.7Å; N185-N187 WeakPolarHBondContact OD1-CB 3.42Å; N185-N187 PolarHBondContact OD1-N 3.25Å; N185-N187 VanDerWaalsContact OD1-N 3.12Å; N185-N187 PolarHBondContact OD1-ND2 2.92Å
186	G	92.1	Very high	93.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	15%	0.151	C	C	.	.	S	Bend	trans	86.9	-4.3	178.7	0	0	0	0	0	115.8	F183 E184 A205 H206 G208 V210	F183-G186 PolarHBondContact O-N 3.26Å; E184-G186 PolarHBondContact O-N 2.83Å; G186-A205 PolarHBondContact O-N 2.82Å; G186-H206 PolarHBondContact O-N 2.96Å; G186-G208 WeakPolarHBondContact CA-O 3.27Å; G186-V210 VanDerWaalsContact C-CG2 3.49Å; G186-V210 WeakPolarHBondContact O-CG2 3.49Å
187	N	94.1	Very high	93.1	Very high	22 Å²	22	35.1 Å²	35.1	12%	0.118	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	154.4	175.7	-67.5	-74.1	0	0	0	113	F183 N185 M202 F203 T204	F183-N187 WeakPolarHBondContact CB-O 3.35Å; F183-N187 PolarHBondContact N-O 2.93Å; N185-N187 VanDerWaalsContact CG-ND2 3.27Å; N185-N187 PolarHBondContact ND2-ND2 3.13Å; N185-N187 PolarHBondContact O-N 2.7Å; N185-N187 WeakPolarHBondContact OD1-CB 3.42Å; N185-N187 PolarHBondContact OD1-N 3.25Å; N185-N187 VanDerWaalsContact OD1-N 3.12Å; N185-N187 PolarHBondContact OD1-ND2 2.92Å; N187-M202 HydrophobicContact CB-CG 4.36Å; N187-F203 WeakPolarHBondContact CA-O 3.36Å; N187-T204 VanDerWaalsContact OD1-CG2 3.27Å; N187-T204 WeakPolarHBondContact OD1-CG2 3.34Å
188	V	95.3	Very high	93	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	134.9	164.1	175.7	0	0	0	0	108.6	A181 M202 F203 A205 V210 L223 T225	A181-V188 WeakPolarHBondContact O-CA 3.37Å; V188-M202 WeakPolarHBondContact O-CA 3.39Å; V188-F203 HydrophobicContact CB-CD1 4.48Å; V188-F203 HydrophobicContact CB-CE1 3.87Å; V188-F203 HydrophobicContact CB-CE2 4.05Å; V188-F203 HydrophobicContact CB-CZ 3.64Å; V188-F203 HydrophobicContact CG1-CE1 3.81Å; V188-F203 HydrophobicContact CG1-CZ 3.69Å; V188-F203 HydrophobicContact CG2-CZ 4.45Å; V188-F203 PolarHBondContact N-O 3.48Å; V188-F203 PolarHBondContact O-N 2.76Å; V188-A205 HydrophobicContact CG2-CB 3.87Å; V188-V210 HydrophobicContact CG2-CB 4.45Å; V188-V210 HydrophobicContact CG2-CG1 4.04Å; V188-V210 HydrophobicContact CG2-CG2 4.22Å; V188-L223 HydrophobicContact CG1-CD2 4.13Å; V188-T225 HydrophobicContact CG2-CG2 3.98Å
189	Q	94.6	Very high	93	Very high	6 Å²	6	41.9 Å²	41.9	3%	0.028	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	139.9	178.4	-60.2	171.7	3.2	0	0	110	A180 A181 F183 Y199 R201 M202	A180-Q189 WeakPolarHBondContact CA-O 3.31Å; A181-Q189 PolarHBondContact N-O 2.88Å; A181-Q189 PolarHBondContact O-N 3.38Å; F183-Q189 HydrophobicContact CD2-CG 4.1Å; F183-Q189 HydrophobicContact CE2-CB 3.89Å; F183-Q189 HydrophobicContact CE2-CG 3.65Å; F183-Q189 HydrophobicContact CZ-CG 4.44Å; Q189-Y199 HydrophobicContact CG-CD1 4.39Å; Q189-R201 CarbonylContact C-O 3.58Å; Q189-R201 WeakPolarHBondContact CA-O 3.32Å; Q189-M202 HydrophobicContact CG-CB 4.21Å; Q189-M202 HydrophobicContact CG-CG 3.9Å; Q189-M202 HydrophobicContact CG-SD 4.24Å
190	L	93.9	Very high	92.7	Very high	6 Å²	6	47.3 Å²	47.3	3%	0.031	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	137.4	165.3	-65.2	-169.5	0	0	0	109.9	F179 A180 Y199 E200 R201 W215 M237	F179-L190 WeakPolarHBondContact O-CA 3.38Å; A180-L190 HydrophobicContact CB-CD2 3.71Å; L190-Y199 CarbonylContact O-C 3.59Å; L190-Y199 WeakPolarHBondContact O-CA 3.22Å; L190-Y199 WeakPolarHBondContact O-CB 3.41Å; L190-E200 PolarHBondContact O-N 2.8Å; L190-R201 HydrophobicContact CB-CB 4.31Å; L190-R201 PolarHBondContact N-O 2.79Å; L190-R201 PolarHBondContact O-N 2.82Å; L190-W215 HydrophobicContact CD1-CH2 4.26Å; L190-W215 HydrophobicContact CD2-CH2 3.79Å; L190-W215 HydrophobicContact CD2-CZ2 3.64Å; L190-M237 HydrophobicContact CD1-CE 3.43Å; L190-M237 VanDerWaalsContact CD1-CE 3.43Å; L190-M237 HydrophobicContact CD2-CE 4.49Å; L190-M237 HydrophobicContact CG-CE 3.9Å
191	W	94.5	Very high	92.5	Very high	4 Å²	4	49.1 Å²	49.1	2%	0.015	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	145.7	-175.7	-72	85	0	0	0	111.4	M145 F159 S160 T178 F179 R198 Y199	M145-W191 HydrophobicContact CE-CD2 4.19Å; M145-W191 HydrophobicContact CE-CG 4.34Å; M145-W191 HydrophobicContact CE-CZ2 4.02Å; F159-W191 HydrophobicContact CB-CD2 4.46Å; F159-W191 HydrophobicContact CB-CE3 4.17Å; F159-W191 HydrophobicContact CB-CH2 4.28Å; F159-W191 HydrophobicContact CB-CZ3 4.05Å; F159-W191 HydrophobicContact CD1-CD2 4.19Å; F159-W191 AromaticContact CD1-CE3 3.55Å; F159-W191 HydrophobicContact CD1-CE3 3.55Å; F159-W191 AromaticContact CD1-CZ3 3.96Å; F159-W191 HydrophobicContact CD1-CZ3 3.96Å; F159-W191 HydrophobicContact CE1-CE3 4.44Å; F159-W191 HydrophobicContact CG-CE3 4.31Å; S160-W191 WeakPolarHBondContact O-CH2 3.42Å; T178-W191 WeakPolarHBondContact CA-O 3.37Å; F179-W191 HydrophobicContact CD1-CB 3.94Å; F179-W191 HydrophobicContact CD2-CB 4.17Å; F179-W191 HydrophobicContact CE1-CB 3.44Å; F179-W191 VanDerWaalsContact CE1-CB 3.44Å; F179-W191 HydrophobicContact CE1-CG 4.39Å; F179-W191 HydrophobicContact CE2-CB 3.7Å; F179-W191 AromaticContact CE2-CG 3.97Å; F179-W191 HydrophobicContact CE2-CG 3.97Å; F179-W191 HydrophobicContact CG-CB 4.29Å; F179-W191 HydrophobicContact CZ-CB 3.32Å; F179-W191 AromaticContact CZ-CG 3.8Å; F179-W191 HydrophobicContact CZ-CG 3.8Å; F179-W191 PolarHBondContact N-O 2.69Å; F179-W191 PolarHBondContact O-N 2.9Å; W191-R198 VanDerWaalsContact CE3-O 3.3Å; W191-R198 WeakPolarHBondContact CZ3-O 3.31Å; W191-Y199 HydrophobicContact CZ2-CD1 4.49Å
192	D	93	Very high	92.3	Very high	8 Å²	8	53.3 Å²	53.3	4%	0.043	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	122.2	171.2	176.9	-16.3	0	0	0	108.5	F177 R194 R195	F177-D192 CarbonylContact O-C 3.56Å; F177-D192 VanDerWaalsContact O-CA 3.31Å; F177-D192 WeakPolarHBondContact O-CA 3.4Å; D192-R194 PolarHBondContact O-N 2.89Å; D192-R194 VanDerWaalsContact OD1-CB 3.25Å; D192-R194 WeakPolarHBondContact OD1-CB 3.39Å; D192-R194 WeakPolarHBondContact OD1-CG 3.49Å; D192-R194 IonicContact OD1-CZ 2.66Å; D192-R194 PolarHBondContact OD1-N 2.84Å; D192-R194 IonicContact OD1-NE 2.73Å; D192-R194 PolarHBondContact OD1-NE 2.79Å; D192-R194 IonicContact OD1-NH2 2.82Å; D192-R194 IonicContact OD2-CZ 3.91Å; D192-R194 IonicContact OD2-NE 2.84Å; D192-R194 PolarHBondContact OD2-NE 2.94Å; D192-R194 VanDerWaalsContact OD2-NE 3.15Å; D192-R194 IonicContact OD2-NH2 3.26Å; D192-R194 PolarHBondContact OD2-NH2 3.48Å; D192-R195 HydrophobicContact CB-CB 4.29Å; D192-R195 CarbonylContact O-C 3.54Å; D192-R195 PolarHBondContact O-N 2.8Å
193	I	92.8	Very high	92.2	Very high	21 Å²	21	54.4 Å²	54.4	11%	0.108	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-19.8	-177.7	63.3	-179.8	0	0	0	114	M135 F171 Y176 F177 F179 R195	M135-I193 HydrophobicContact CE-CD1 4.38Å; M135-I193 HydrophobicContact SD-CD1 4.06Å; F171-I193 HydrophobicContact CE1-CG2 3.97Å; Y176-I193 HydrophobicContact CD1-CD1 4.47Å; Y176-I193 HydrophobicContact CE1-CD1 4.16Å; F177-I193 HydrophobicContact CB-CG1 4.32Å; F177-I193 HydrophobicContact CD1-CD1 3.99Å; F177-I193 HydrophobicContact CD1-CG1 3.88Å; F177-I193 PolarHBondContact O-N 2.84Å; F179-I193 HydrophobicContact CD1-CG2 3.72Å; F179-I193 HydrophobicContact CE1-CG2 3.91Å; I193-R195 VanDerWaalsContact C-N 3.35Å
194	R	91.1	Very high	92	Very high	148 Å²	148	59.5 Å²	59.5	56%	0.558	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-9.4	177	-54.9	167.9	-69.5	-162	5.4	113.2	F177 D192	F177-R194 VanDerWaalsContact CD1-CD 3.41Å; F177-R194 HydrophobicContact CD1-CG 3.64Å; F177-R194 VanDerWaalsContact CD2-NH1 3.28Å; F177-R194 HydrophobicContact CE1-CG 3.97Å; F177-R194 VanDerWaalsContact CG-CZ 3.41Å; D192-R194 PolarHBondContact O-N 2.89Å; D192-R194 VanDerWaalsContact OD1-CB 3.25Å; D192-R194 WeakPolarHBondContact OD1-CB 3.39Å; D192-R194 WeakPolarHBondContact OD1-CG 3.49Å; D192-R194 IonicContact OD1-CZ 2.66Å; D192-R194 PolarHBondContact OD1-N 2.84Å; D192-R194 IonicContact OD1-NE 2.73Å; D192-R194 PolarHBondContact OD1-NE 2.79Å; D192-R194 IonicContact OD1-NH2 2.82Å; D192-R194 IonicContact OD2-CZ 3.91Å; D192-R194 IonicContact OD2-NE 2.84Å; D192-R194 PolarHBondContact OD2-NE 2.94Å; D192-R194 VanDerWaalsContact OD2-NE 3.15Å; D192-R194 IonicContact OD2-NH2 3.26Å; D192-R194 PolarHBondContact OD2-NH2 3.48Å
195	R	90.8	Very high	91.9	Very high	131 Å²	131	56.3 Å²	56.3	49%	0.494	26%	0.26	S	S	.	.			trans	-132.3	71.8	-172	-67.8	179.6	175.9	167.4	0.8	110.9	D192 I193 D197	D192-R195 HydrophobicContact CB-CB 4.29Å; D192-R195 CarbonylContact O-C 3.54Å; D192-R195 PolarHBondContact O-N 2.8Å; I193-R195 VanDerWaalsContact C-N 3.35Å; R195-D197 VanDerWaalsContact C-OD1 3.25Å; R195-D197 VanDerWaalsContact CA-OD1 3.29Å; R195-D197 WeakPolarHBondContact CA-OD1 3.41Å; R195-D197 WeakPolarHBondContact CB-OD1 3.2Å; R195-D197 PolarHBondContact O-N 2.84Å
196	P	90.1	Very high	92	Very high	53 Å²	53	53.9 Å²	53.9	34%	0.344	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-8	178.7	30.6	-35.7	0	0	0	114	F159	F159-P196 HydrophobicContact CD1-CB 3.89Å; F159-P196 HydrophobicContact CE1-CB 3.89Å; F159-P196 HydrophobicContact CG-CB 4.46Å; F159-P196 HydrophobicContact CZ-CB 4.45Å
197	D	87.4	Confident	91.9	Very high	108 Å²	108	60.5 Å²	60.5	58%	0.578	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-29.9	178.5	56.8	-59	0	0	0	113.8	R195	R195-D197 VanDerWaalsContact C-OD1 3.25Å; R195-D197 VanDerWaalsContact CA-OD1 3.29Å; R195-D197 WeakPolarHBondContact CA-OD1 3.41Å; R195-D197 WeakPolarHBondContact CB-OD1 3.2Å; R195-D197 PolarHBondContact O-N 2.84Å
198	R	89.3	Confident	91.8	Very high	151 Å²	151	60.3 Å²	60.3	57%	0.57	29%	0.29	S	S	*	.	S	Bend	trans	-162.9	151.1	-174	61.1	-167	154.6	140.8	-0.4	113.4	W191	W191-R198 VanDerWaalsContact CE3-O 3.3Å; W191-R198 WeakPolarHBondContact CZ3-O 3.31Å
199	Y	91.4	Very high	91.7	Very high	90 Å²	90	61.4 Å²	61.4	35%	0.353	30%	0.297	S	S	.	.			trans	-62.2	149.2	165.6	57.4	-105.3	0	0	0	110.8	Q189 L190 W191 M202	Q189-Y199 HydrophobicContact CG-CD1 4.39Å; L190-Y199 CarbonylContact O-C 3.59Å; L190-Y199 WeakPolarHBondContact O-CA 3.22Å; L190-Y199 WeakPolarHBondContact O-CB 3.41Å; W191-Y199 HydrophobicContact CZ2-CD1 4.49Å; Y199-M202 HydrophobicContact CD2-CB 3.9Å; Y199-M202 HydrophobicContact CE1-CB 4.33Å; Y199-M202 HydrophobicContact CE1-SD 4.04Å; Y199-M202 HydrophobicContact CE2-CB 3.61Å; Y199-M202 HydrophobicContact CG-CB 4.38Å
200	E	89.3	Confident	91.7	Very high	113 Å²	113	61.1 Å²	61.1	53%	0.528	30%	0.296	S	S	.	.	S	Bend	trans	-74.8	-43.9	170.2	-168.7	-171.7	168	0	0	110	L190	L190-E200 PolarHBondContact O-N 2.8Å
201	R	89.2	Confident	91.8	Very high	38 Å²	38	61.8 Å²	61.8	14%	0.143	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	147.7	-177.3	-67.8	164.4	60.4	169.2	1.3	110.5	Q189 L190 M237 T239 N240	Q189-R201 CarbonylContact C-O 3.58Å; Q189-R201 WeakPolarHBondContact CA-O 3.32Å; L190-R201 HydrophobicContact CB-CB 4.31Å; L190-R201 PolarHBondContact N-O 2.79Å; L190-R201 PolarHBondContact O-N 2.82Å; R201-M237 PolarHBondContact NH1-O 2.78Å; R201-T239 VanDerWaalsContact CZ-O 3.23Å; R201-T239 PolarHBondContact NH1-O 3.43Å; R201-T239 VanDerWaalsContact NH1-O 3.17Å; R201-T239 PolarHBondContact NH2-O 3.17Å; R201-N240 VanDerWaalsContact CZ-O 3.24Å; R201-N240 PolarHBondContact NE-O 3.49Å; R201-N240 PolarHBondContact NH2-O 3.47Å
202	M	91.8	Very high	91.8	Very high	88 Å²	88	61.6 Å²	61.6	43%	0.433	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	144.4	171.8	-178.6	175.9	74.5	0	0	109.1	N187 V188 Q189 Y199	N187-M202 HydrophobicContact CB-CG 4.36Å; V188-M202 WeakPolarHBondContact O-CA 3.39Å; Q189-M202 HydrophobicContact CG-CB 4.21Å; Q189-M202 HydrophobicContact CG-CG 3.9Å; Q189-M202 HydrophobicContact CG-SD 4.24Å; Y199-M202 HydrophobicContact CD2-CB 3.9Å; Y199-M202 HydrophobicContact CE1-CB 4.33Å; Y199-M202 HydrophobicContact CE1-SD 4.04Å; Y199-M202 HydrophobicContact CE2-CB 3.61Å; Y199-M202 HydrophobicContact CG-CB 4.38Å
203	F	93.2	Very high	91.9	Very high	23 Å²	23	61.2 Å²	61.2	10%	0.101	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	145.5	173	60.7	-79.3	0	0	0	111.5	N187 V188 A205 L223 W235 M237 A242	N187-F203 WeakPolarHBondContact CA-O 3.36Å; V188-F203 HydrophobicContact CB-CD1 4.48Å; V188-F203 HydrophobicContact CB-CE1 3.87Å; V188-F203 HydrophobicContact CB-CE2 4.05Å; V188-F203 HydrophobicContact CB-CZ 3.64Å; V188-F203 HydrophobicContact CG1-CE1 3.81Å; V188-F203 HydrophobicContact CG1-CZ 3.69Å; V188-F203 HydrophobicContact CG2-CZ 4.45Å; V188-F203 PolarHBondContact N-O 3.48Å; V188-F203 PolarHBondContact O-N 2.76Å; F203-A205 HydrophobicContact CD2-CB 4.15Å; F203-A205 HydrophobicContact CE2-CB 3.91Å; F203-A205 PolarHBondContact O-N 2.6Å; F203-L223 HydrophobicContact CZ-CD2 4.32Å; F203-W235 HydrophobicContact CD2-CD2 4.02Å; F203-W235 AromaticContact CD2-CE3 3.92Å; F203-W235 HydrophobicContact CD2-CE3 3.92Å; F203-W235 HydrophobicContact CD2-CH2 4.14Å; F203-W235 HydrophobicContact CD2-CZ2 4.22Å; F203-W235 AromaticContact CD2-CZ3 3.98Å; F203-W235 HydrophobicContact CD2-CZ3 3.98Å; F203-W235 AromaticContact CE2-CD1 3.98Å; F203-W235 AromaticContact CE2-CD2 3.46Å; F203-W235 HydrophobicContact CE2-CD2 3.46Å; F203-W235 VanDerWaalsContact CE2-CD2 3.46Å; F203-W235 AromaticContact CE2-CE2 3.56Å; F203-W235 AromaticContact CE2-CE3 3.84Å; F203-W235 HydrophobicContact CE2-CE3 3.84Å; F203-W235 AromaticContact CE2-CG 3.79Å; F203-W235 HydrophobicContact CE2-CG 3.79Å; F203-W235 HydrophobicContact CE2-CH2 4.38Å; F203-W235 HydrophobicContact CE2-CZ2 4.05Å; F203-W235 HydrophobicContact CE2-CZ3 4.28Å; F203-W235 AromaticContact CE2-NE1 3.83Å; F203-W235 HydrophobicContact CZ-CD2 4.28Å; F203-W235 HydrophobicContact CZ-CG 4.17Å; F203-M237 HydrophobicContact CD1-CE 4.08Å; F203-M237 HydrophobicContact CE1-CE 3.45Å; F203-M237 VanDerWaalsContact CE1-CE 3.45Å; F203-M237 HydrophobicContact CE1-SD 4.15Å; F203-M237 HydrophobicContact CZ-CE 4.1Å; F203-M237 HydrophobicContact CZ-SD 4.23Å; F203-A242 HydrophobicContact CB-CB 3.98Å; F203-A242 HydrophobicContact CD1-CB 3.65Å; F203-A242 HydrophobicContact CD2-CB 3.96Å; F203-A242 HydrophobicContact CE1-CB 4.08Å; F203-A242 HydrophobicContact CE2-CB 4.35Å; F203-A242 HydrophobicContact CG-CB 3.59Å; F203-A242 HydrophobicContact CZ-CB 4.4Å
204	T	92.9	Very high	92	Very high	108 Å²	108	60.7 Å²	60.7	66%	0.663	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.2	108.6	170.1	43.3	0	0	0	0	108.7	N187	N187-T204 VanDerWaalsContact OD1-CG2 3.27Å; N187-T204 WeakPolarHBondContact OD1-CG2 3.34Å
205	A	91.9	Very high	92.1	Very high	2 Å²	2	54.4 Å²	54.4	2%	0.017	27%	0.27	C	S	.	.			trans	-89.7	-50.6	-177.2	0	0	0	0	0	111.4	G186 V188 F203 V210 K233 W235	G186-A205 PolarHBondContact O-N 2.82Å; V188-A205 HydrophobicContact CG2-CB 3.87Å; F203-A205 HydrophobicContact CD2-CB 4.15Å; F203-A205 HydrophobicContact CE2-CB 3.91Å; F203-A205 PolarHBondContact O-N 2.6Å; A205-V210 HydrophobicContact CB-CG2 4.39Å; A205-K233 WeakPolarHBondContact O-CD 3.38Å; A205-K233 WeakPolarHBondContact O-CE 3.41Å; A205-K233 PolarHBondContact O-NZ 3.36Å; A205-W235 VanDerWaalsContact CA-CZ2 3.49Å; A205-W235 HydrophobicContact CB-CZ2 3.8Å
206	H	93.4	Very high	92.1	Very high	12 Å²	12	48.3 Å²	48.3	6%	0.056	25%	0.247	C	C	.	.	S	Bend	trans	-127.4	160.4	-173.1	-64.8	-89.5	0	0	0	110.7	G186 G208 V210 T225 D229 M231	G186-H206 PolarHBondContact O-N 2.96Å; H206-G208 WeakPolarHBondContact CB-O 3.49Å; H206-G208 PolarHBondContact O-N 3.49Å; H206-V210 HydrophobicContact CB-CG2 4.22Å; H206-T225 WeakPolarHBondContact NE2-CB 3.25Å; H206-T225 PolarHBondContact NE2-O 2.68Å; H206-T225 PolarHBondContact NE2-OG1 2.98Å; H206-D229 WeakPolarHBondContact CA-OD2 3.41Å; H206-D229 VanDerWaalsContact CB-OD2 3.31Å; H206-D229 WeakPolarHBondContact CB-OD2 3.32Å; H206-D229 IonicContact CE1-OD1 3.89Å; H206-D229 IonicContact CG-OD1 2.68Å; H206-D229 IonicContact CG-OD2 3.76Å; H206-D229 IonicContact ND1-OD1 3.14Å; H206-D229 PolarHBondContact ND1-OD1 2.75Å; H206-D229 IonicContact ND1-OD2 3.37Å; H206-D229 PolarHBondContact ND1-OD2 3.35Å; H206-M231 PolarHBondContact CE1-O 2.55Å
207	T	90.7	Very high	91.9	Very high	139 Å²	139	47.5 Å²	47.5	85%	0.853	24%	0.241	S	C	*	.	S	Bend	trans	-82.1	9.9	177.2	50.9	0	0	0	0	113.8	D229	T207-D229 WeakPolarHBondContact OG1-CB 3.29Å
208	G	90.4	Very high	91.6	Very high	17 Å²	17	45.7 Å²	45.7	18%	0.175	23%	0.232	C	C	.	.	S	Bend	trans	-168	-172.5	177.3	0	0	0	0	0	110.3	G186 H206 V210	G186-G208 WeakPolarHBondContact CA-O 3.27Å; H206-G208 WeakPolarHBondContact CB-O 3.49Å; H206-G208 PolarHBondContact O-N 3.49Å; G208-V210 PolarHBondContact O-N 2.86Å
209	P	93.4	Very high	91	Very high	23 Å²	23	40.4 Å²	40.4	15%	0.149	22%	0.215	C	C	.	.			trans	-46.3	129.4	-171.1	-29.4	30	0	0	0	115.3	E184 F211 G227 R228	E184-P209 HydrophobicContact CG-CB 4.13Å; E184-P209 HydrophobicContact CG-CG 3.98Å; E184-P209 WeakPolarHBondContact O-CA 3.47Å; E184-P209 WeakPolarHBondContact O-CD 3.45Å; E184-P209 VanDerWaalsContact O-CG 3.24Å; E184-P209 WeakPolarHBondContact O-CG 3.43Å; P209-F211 HydrophobicContact CB-CD1 4.32Å; P209-F211 HydrophobicContact CB-CE1 3.71Å; P209-F211 HydrophobicContact CB-CE2 4.21Å; P209-F211 HydrophobicContact CB-CZ 3.65Å; P209-F211 HydrophobicContact CG-CZ 4.28Å; P209-G227 CarbonylContact O-C 3.48Å; P209-G227 WeakPolarHBondContact O-CA 3.24Å; P209-R228 HydrophobicContact CB-CB 4.47Å; P209-R228 HydrophobicContact CG-CB 4.47Å; P209-R228 PolarHBondContact O-N 2.89Å
210	V	95.8	Very high	89.9	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	100.7	172.7	-165	0	0	0	0	108.4	R167 S182 F183 G186 V188 A205 H206 G208	R167-V210 WeakPolarHBondContact CB-O 3.39Å; S182-V210 WeakPolarHBondContact CB-O 3.32Å; S182-V210 PolarHBondContact OG-O 2.83Å; F183-V210 PolarHBondContact O-N 3.22Å; G186-V210 VanDerWaalsContact C-CG2 3.49Å; G186-V210 WeakPolarHBondContact O-CG2 3.49Å; V188-V210 HydrophobicContact CG2-CB 4.45Å; V188-V210 HydrophobicContact CG2-CG1 4.04Å; V188-V210 HydrophobicContact CG2-CG2 4.22Å; A205-V210 HydrophobicContact CB-CG2 4.39Å; H206-V210 HydrophobicContact CB-CG2 4.22Å; G208-V210 PolarHBondContact O-N 2.86Å
211	F	94.6	Very high	89.6	Confident	20 Å²	20	38.7 Å²	38.7	9%	0.088	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	-21.8	-173.7	-65.2	-58.8	0	0	0	114.1	P209 G226 R228 S253 V254 M272	P209-F211 HydrophobicContact CB-CD1 4.32Å; P209-F211 HydrophobicContact CB-CE1 3.71Å; P209-F211 HydrophobicContact CB-CE2 4.21Å; P209-F211 HydrophobicContact CB-CZ 3.65Å; P209-F211 HydrophobicContact CG-CZ 4.28Å; F211-G226 PolarHBondContact N-O 2.88Å; F211-R228 HydrophobicContact CE2-CB 3.69Å; F211-R228 HydrophobicContact CE2-CG 4.3Å; F211-R228 HydrophobicContact CZ-CB 4.23Å; F211-S253 WeakPolarHBondContact CE2-OG 3.28Å; F211-V254 WeakPolarHBondContact CB-O 3.07Å; F211-V254 WeakPolarHBondContact CD2-O 3.14Å; F211-M272 HydrophobicContact CD1-SD 4.06Å; F211-M272 HydrophobicContact CD2-CE 4.28Å; F211-M272 HydrophobicContact CD2-SD 3.99Å; F211-M272 HydrophobicContact CE1-CE 4.15Å; F211-M272 HydrophobicContact CE1-SD 3.96Å; F211-M272 HydrophobicContact CE2-CE 3.58Å; F211-M272 HydrophobicContact CE2-SD 3.86Å; F211-M272 HydrophobicContact CG-SD 4.08Å; F211-M272 HydrophobicContact CZ-CE 3.5Å; F211-M272 HydrophobicContact CZ-SD 3.85Å
212	C	94.6	Very high	89.7	Confident	1 Å²	1	38.1 Å²	38.1	1%	0.007	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	155.9	-178.6	57.7	0	0	0	0	114.3	D168 G226 A255 R256 V257	D168-C212 WeakPolarHBondContact OD2-CA 3.5Å; C212-G226 PolarHBondContact N-O 3.09Å; C212-G226 PolarHBondContact O-N 2.93Å; C212-G226 VanDerWaalsContact O-N 3.07Å; C212-A255 WeakPolarHBondContact CB-O 3.37Å; C212-R256 VanDerWaalsContact SG-C 3.58Å; C212-R256 VanDerWaalsContact SG-CA 3.55Å; C212-V257 PolarHBondContact SG-N 2.9Å; C212-V257 VanDerWaalsContact SG-N 3.42Å
213	C	95.6	Very high	89.8	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	148.3	169.9	66.4	0	0	0	0	111.3	D168 L223 A224	D168-C213 PolarHBondContact OD2-N 2.66Å; C213-L223 HydrophobicContact CB-CD1 4.2Å; C213-A224 CarbonylContact C-O 3.52Å; C213-A224 VanDerWaalsContact CA-O 3.27Å; C213-A224 WeakPolarHBondContact CA-O 3.4Å
214	D	95.2	Very high	89.9	Confident	10 Å²	10	32.9 Å²	32.9	5%	0.053	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	123.1	175.3	-156.8	47.3	0	0	0	112.8	Q170 A224 V257 K258 W259	Q170-D214 PolarHBondContact NE2-OD1 3.14Å; Q170-D214 VanDerWaalsContact OE1-CA 3.25Å; Q170-D214 PolarHBondContact OE1-OD1 3.01Å; D214-A224 PolarHBondContact N-O 2.73Å; D214-A224 PolarHBondContact O-N 3.05Å; D214-V257 HydrophobicContact CB-CG1 4.49Å; D214-K258 IonicContact OD1-NZ 2.7Å; D214-K258 PolarHBondContact OD1-NZ 2.64Å; D214-K258 VanDerWaalsContact OD2-CA 3.28Å; D214-K258 WeakPolarHBondContact OD2-CA 3.41Å; D214-W259 PolarHBondContact O-NE1 2.62Å; D214-W259 PolarHBondContact OD2-N 2.91Å
215	W	93.4	Very high	90.1	Very high	15 Å²	15	27.7 Å²	27.7	6%	0.057	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	138.5	172.9	-70.5	106.2	0	0	0	111.4	Q170 M173 A180 L190 L223 M237 W259	Q170-W215 PolarHBondContact O-NE1 3.41Å; Q170-W215 VanDerWaalsContact O-NE1 3.09Å; M173-W215 HydrophobicContact CG-CB 4.44Å; A180-W215 HydrophobicContact CB-CZ2 3.84Å; L190-W215 HydrophobicContact CD1-CH2 4.26Å; L190-W215 HydrophobicContact CD2-CH2 3.79Å; L190-W215 HydrophobicContact CD2-CZ2 3.64Å; W215-L223 HydrophobicContact CD2-CD1 3.77Å; W215-L223 HydrophobicContact CE3-CB 4.08Å; W215-L223 HydrophobicContact CE3-CD1 4.07Å; W215-L223 HydrophobicContact CG-CD1 4.05Å; W215-L223 HydrophobicContact CZ2-CD1 4.47Å; W215-L223 HydrophobicContact CZ3-CB 4.09Å; W215-M237 HydrophobicContact CH2-CG 4.49Å; W215-M237 HydrophobicContact CZ3-CG 4.25Å; W215-W259 VanDerWaalsContact C-CD1 3.44Å; W215-W259 VanDerWaalsContact O-CD1 3.29Å
216	H	91.7	Very high	90.2	Very high	3 Å²	3	27.6 Å²	27.6	1%	0.014	15%	0.145	C	C	.	.			trans	-69.3	135.5	176.5	-167.7	-55.1	0	0	0	111.7	D218 D219 W222 W259 K264	H216-D218 PolarHBondContact CE1-N 3.47Å; H216-D218 IonicContact CE1-OD2 3.82Å; H216-D218 PolarHBondContact CE1-OD2 3.17Å; H216-D218 PolarHBondContact ND1-N 2.98Å; H216-D219 HydrophobicContact CB-CB 4.36Å; H216-D219 PolarHBondContact ND1-N 3.21Å; H216-D219 VanDerWaalsContact ND1-N 3.12Å; H216-W222 HydrophobicContact CB-CB 3.74Å; H216-W222 WeakPolarHBondContact CB-O 3.29Å; H216-W222 AromaticContact CD2-CE3 3.79Å; H216-W222 PolarHBondContact N-O 3.28Å; H216-W259 HydrophobicContact CB-CD2 4.2Å; H216-W259 HydrophobicContact CB-CG 4.43Å; H216-W259 HydrophobicContact CB-CZ2 4.31Å; H216-W259 AromaticContact CD2-CD2 3.63Å; H216-W259 AromaticContact CD2-CE2 3.9Å; H216-W259 AromaticContact CD2-CE3 3.32Å; H216-W259 AromaticContact CD2-CH2 3.63Å; H216-W259 AromaticContact CD2-CZ2 3.93Å; H216-W259 AromaticContact CD2-CZ3 3.3Å; H216-W259 WeakPolarHBondContact CD2-CZ3 3.44Å; H216-W259 AromaticContact NE2-CE3 3.71Å; H216-W259 AromaticContact NE2-CZ3 3.79Å; H216-K264 WeakPolarHBondContact NE2-CA 3.39Å; H216-K264 PolarHBondContact NE2-O 2.88Å; H216-K264 VanDerWaalsContact NE2-O 3.13Å
217	P	84.8	Confident	90.2	Very high	36 Å²	36	27 Å²	27	23%	0.234	14%	0.142	C	C	.	.	S	Bend	trans	-66.5	-49	176.6	23.8	-33.2	0	0	0	113.5	K174 W259	K174-P217 WeakPolarHBondContact CE-O 3.28Å; K174-P217 PolarHBondContact NZ-O 2.57Å; P217-W259 HydrophobicContact CG-CB 4.49Å
218	D	80.9	Confident	90.4	Very high	70 Å²	70	28.2 Å²	28.2	37%	0.374	13%	0.131	S	C	.	.	S	Bend	trans	-83	-45.2	-175.7	-46.4	-45.2	0	0	0	115	K174 H216	K174-D218 VanDerWaalsContact NZ-C 3.31Å; K174-D218 PolarHBondContact NZ-O 3.39Å; H216-D218 PolarHBondContact CE1-N 3.47Å; H216-D218 IonicContact CE1-OD2 3.82Å; H216-D218 PolarHBondContact CE1-OD2 3.17Å; H216-D218 PolarHBondContact ND1-N 2.98Å
219	D	76.9	Confident	90.4	Very high	40 Å²	40	29.2 Å²	29.2	21%	0.214	13%	0.132	C	C	.	.			trans	-85.5	130.7	179.2	-74.1	-49.6	0	0	0	113	H216 G221 W222 K264	H216-D219 HydrophobicContact CB-CB 4.36Å; H216-D219 PolarHBondContact ND1-N 3.21Å; H216-D219 VanDerWaalsContact ND1-N 3.12Å; D219-G221 VanDerWaalsContact C-N 3.26Å; D219-G221 PolarHBondContact O-N 2.82Å; D219-W222 HydrophobicContact CB-CB 4.25Å; D219-W222 HydrophobicContact CB-CD2 4.25Å; D219-W222 HydrophobicContact CB-CG 4.09Å; D219-K264 IonicContact OD1-NZ 2.89Å; D219-K264 PolarHBondContact OD1-NZ 2.91Å; D219-K264 IonicContact OD2-NZ 3.36Å; D219-K264 PolarHBondContact OD2-NZ 2.99Å
220	R	68.4	Low	90.4	Very high	161 Å²	161	32.9 Å²	32.9	61%	0.608	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-21.7	-178.9	-172.9	174	179.8	-176.4	3	114.5	K174 D175	K174-R220 HydrophobicContact CB-CG 4.3Å; K174-R220 HydrophobicContact CD-CB 4.18Å; K174-R220 HydrophobicContact CD-CG 4.39Å; D175-R220 IonicContact OD1-CZ 2.66Å; D175-R220 IonicContact OD1-NE 3.36Å; D175-R220 PolarHBondContact OD1-NE 3.06Å; D175-R220 IonicContact OD1-NH2 3.5Å; D175-R220 PolarHBondContact OD1-NH2 2.83Å; D175-R220 IonicContact OD2-CZ 2.7Å; D175-R220 IonicContact OD2-NE 2.77Å; D175-R220 PolarHBondContact OD2-NE 2.79Å; D175-R220 IonicContact OD2-NH2 2.76Å
221	G	82	Confident	90.3	Very high	6 Å²	6	34.7 Å²	34.7	6%	0.062	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.1	-1.6	-168.5	0	0	0	0	0	116.4	D219 W235 M237	D219-G221 VanDerWaalsContact C-N 3.26Å; D219-G221 PolarHBondContact O-N 2.82Å; G221-W235 VanDerWaalsContact O-O 3.09Å; G221-M237 WeakPolarHBondContact O-CB 3.31Å; G221-M237 PolarHBondContact O-N 3.41Å
222	W	91.9	Very high	90.3	Very high	27 Å²	27	33.7 Å²	33.7	10%	0.102	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	121.7	-171.1	-73.1	6.9	0	0	0	111.7	H216 D219 V234 W235 I245 Y246 W259 K264 F265	H216-W222 HydrophobicContact CB-CB 3.74Å; H216-W222 WeakPolarHBondContact CB-O 3.29Å; H216-W222 AromaticContact CD2-CE3 3.79Å; H216-W222 PolarHBondContact N-O 3.28Å; D219-W222 HydrophobicContact CB-CB 4.25Å; D219-W222 HydrophobicContact CB-CD2 4.25Å; D219-W222 HydrophobicContact CB-CG 4.09Å; W222-V234 HydrophobicContact CB-CG1 4.4Å; W222-V234 HydrophobicContact CD2-CG1 4.3Å; W222-V234 HydrophobicContact CE3-CG1 4.35Å; W222-V234 HydrophobicContact CG-CG1 4.33Å; W222-W235 WeakPolarHBondContact CA-O 3.34Å; W222-I245 HydrophobicContact CD2-CD1 4.45Å; W222-I245 HydrophobicContact CG-CD1 4.48Å; W222-I245 HydrophobicContact CZ2-CD1 4.14Å; W222-Y246 AromaticContact CH2-CE2 3.87Å; W222-Y246 HydrophobicContact CH2-CE2 3.87Å; W222-Y246 HydrophobicContact CZ2-CE2 4.14Å; W222-Y246 HydrophobicContact CZ3-CE2 4.48Å; W222-W259 HydrophobicContact CB-CZ2 4.34Å; W222-W259 AromaticContact CE3-CH2 3.84Å; W222-W259 HydrophobicContact CE3-CH2 3.84Å; W222-W259 HydrophobicContact CE3-CZ3 4.34Å; W222-W259 HydrophobicContact CZ3-CH2 4.5Å; W222-K264 HydrophobicContact CZ3-CG 4.19Å; W222-F265 HydrophobicContact CH2-CD1 4.24Å; W222-F265 AromaticContact CH2-CE1 3.81Å; W222-F265 HydrophobicContact CH2-CE1 3.81Å; W222-F265 HydrophobicContact CZ3-CD1 4.26Å; W222-F265 HydrophobicContact CZ3-CE1 4.27Å
223	L	93.9	Very high	90.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	125.4	172.1	-178.8	65.3	0	0	0	108.1	A180 V188 F203 C213 W215 T225 W235 M237	A180-L223 HydrophobicContact CB-CD1 4.29Å; A180-L223 HydrophobicContact CB-CD2 4.08Å; V188-L223 HydrophobicContact CG1-CD2 4.13Å; F203-L223 HydrophobicContact CZ-CD2 4.32Å; C213-L223 HydrophobicContact CB-CD1 4.2Å; W215-L223 HydrophobicContact CD2-CD1 3.77Å; W215-L223 HydrophobicContact CE3-CB 4.08Å; W215-L223 HydrophobicContact CE3-CD1 4.07Å; W215-L223 HydrophobicContact CG-CD1 4.05Å; W215-L223 HydrophobicContact CZ2-CD1 4.47Å; W215-L223 HydrophobicContact CZ3-CB 4.09Å; L223-T225 HydrophobicContact CD2-CG2 4.44Å; L223-T225 HydrophobicContact CG-CG2 4.31Å; L223-W235 PolarHBondContact N-O 3.38Å; L223-W235 PolarHBondContact O-N 2.93Å; L223-M237 HydrophobicContact CB-CG 4.15Å
224	A	95.3	Very high	90.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	141.5	169.3	0	0	0	0	0	109.9	C213 D214 K233 V257 W259 L267	C213-A224 CarbonylContact C-O 3.52Å; C213-A224 VanDerWaalsContact CA-O 3.27Å; C213-A224 WeakPolarHBondContact CA-O 3.4Å; D214-A224 PolarHBondContact N-O 2.73Å; D214-A224 PolarHBondContact O-N 3.05Å; A224-K233 CarbonylContact C-O 3.59Å; A224-K233 VanDerWaalsContact CA-O 3.31Å; A224-K233 WeakPolarHBondContact CA-O 3.32Å; A224-V257 HydrophobicContact CB-CG1 3.83Å; A224-W259 HydrophobicContact CB-CZ2 3.81Å; A224-L267 HydrophobicContact CB-CD2 4.32Å
225	T	96.5	Very high	90.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	140.2	176.5	62.8	0	0	0	0	109.7	V188 H206 L223 V232 K233 W235	V188-T225 HydrophobicContact CG2-CG2 3.98Å; H206-T225 WeakPolarHBondContact NE2-CB 3.25Å; H206-T225 PolarHBondContact NE2-O 2.68Å; H206-T225 PolarHBondContact NE2-OG1 2.98Å; L223-T225 HydrophobicContact CD2-CG2 4.44Å; L223-T225 HydrophobicContact CG-CG2 4.31Å; T225-V232 CarbonylContact O-C 3.58Å; T225-V232 VanDerWaalsContact O-CA 3.31Å; T225-V232 WeakPolarHBondContact O-CA 3.45Å; T225-K233 PolarHBondContact N-O 2.96Å; T225-K233 PolarHBondContact O-N 2.95Å; T225-W235 PolarHBondContact OG1-NE1 3.05Å
226	G	95.4	Very high	90.1	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	135.4	177.6	0	0	0	0	0	111.7	F211 C212	F211-G226 PolarHBondContact N-O 2.88Å; C212-G226 PolarHBondContact N-O 3.09Å; C212-G226 PolarHBondContact O-N 2.93Å; C212-G226 VanDerWaalsContact O-N 3.07Å
227	G	93.7	Very high	89.9	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	179.7	-171.2	0	0	0	0	0	116.3	P209 D229 M231 V254	P209-G227 CarbonylContact O-C 3.48Å; P209-G227 WeakPolarHBondContact O-CA 3.24Å; G227-D229 PolarHBondContact O-N 2.87Å; G227-M231 PolarHBondContact N-O 3.1Å; G227-V254 PolarHBondContact O-N 3.39Å
228	R	93.7	Very high	89.8	Confident	163 Å²	163	39.9 Å²	39.9	62%	0.615	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-23.5	175.6	-169.4	171.6	175.1	152.1	0.3	113.4	P209 F211 K230	P209-R228 HydrophobicContact CB-CB 4.47Å; P209-R228 HydrophobicContact CG-CB 4.47Å; P209-R228 PolarHBondContact O-N 2.89Å; F211-R228 HydrophobicContact CE2-CB 3.69Å; F211-R228 HydrophobicContact CE2-CG 4.3Å; F211-R228 HydrophobicContact CZ-CB 4.23Å; R228-K230 PolarHBondContact O-N 3.23Å; R228-K230 VanDerWaalsContact O-N 3.09Å
229	D	91.5	Very high	89.6	Confident	38 Å²	38	39.6 Å²	39.6	20%	0.203	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	3	178.8	66.3	-8.1	0	0	0	114.4	H206 T207 G227 M231	H206-D229 WeakPolarHBondContact CA-OD2 3.41Å; H206-D229 VanDerWaalsContact CB-OD2 3.31Å; H206-D229 WeakPolarHBondContact CB-OD2 3.32Å; H206-D229 IonicContact CE1-OD1 3.89Å; H206-D229 IonicContact CG-OD1 2.68Å; H206-D229 IonicContact CG-OD2 3.76Å; H206-D229 IonicContact ND1-OD1 3.14Å; H206-D229 PolarHBondContact ND1-OD1 2.75Å; H206-D229 IonicContact ND1-OD2 3.37Å; H206-D229 PolarHBondContact ND1-OD2 3.35Å; T207-D229 WeakPolarHBondContact OG1-CB 3.29Å; G227-D229 PolarHBondContact O-N 2.87Å; D229-M231 HydrophobicContact CB-CG 4.48Å; D229-M231 PolarHBondContact O-N 2.66Å; D229-M231 PolarHBondContact OD1-N 2.72Å
230	K	92.6	Very high	89.5	Confident	100 Å²	100	44.6 Å²	44.6	44%	0.435	21%	0.211	S	C	.	.	S	Bend	trans	62.3	26.9	-175.7	-45.1	-179	172.9	-163.1	0	113.6	R228 T250 I251	R228-K230 PolarHBondContact O-N 3.23Å; R228-K230 VanDerWaalsContact O-N 3.09Å; K230-T250 WeakPolarHBondContact CB-O 3.35Å; K230-T250 PolarHBondContact O-N 3.35Å; K230-T250 PolarHBondContact O-OG1 3.09Å; K230-I251 WeakPolarHBondContact CD-O 3.18Å; K230-I251 WeakPolarHBondContact CE-O 3.15Å; K230-I251 PolarHBondContact NZ-O 2.81Å
231	M	93.1	Very high	90	Very high	38 Å²	38	47.6 Å²	47.6	19%	0.187	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	144.6	174.9	-53.4	-54	-66.8	0	0	110.9	H206 G227 D229 K233 C247 V248 Q249	H206-M231 PolarHBondContact CE1-O 2.55Å; G227-M231 PolarHBondContact N-O 3.1Å; D229-M231 HydrophobicContact CB-CG 4.48Å; D229-M231 PolarHBondContact O-N 2.66Å; D229-M231 PolarHBondContact OD1-N 2.72Å; M231-K233 HydrophobicContact CB-CG 4.39Å; M231-C247 HydrophobicContact CE-CB 4.47Å; M231-C247 WeakPolarHBondContact CE-SG 3.35Å; M231-V248 CarbonylContact C-O 3.53Å; M231-V248 WeakPolarHBondContact CA-O 3.22Å; M231-Q249 HydrophobicContact CE-CB 3.91Å; M231-Q249 HydrophobicContact CE-CG 4.44Å; M231-Q249 HydrophobicContact SD-CB 3.95Å; M231-Q249 HydrophobicContact SD-CG 3.87Å
232	V	95.4	Very high	90.1	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	123.7	157.1	179.7	0	0	0	0	108.4	T225 V248 T250 V254 V257 L267 T269	T225-V232 CarbonylContact O-C 3.58Å; T225-V232 VanDerWaalsContact O-CA 3.31Å; T225-V232 WeakPolarHBondContact O-CA 3.45Å; V232-V248 HydrophobicContact CB-CB 4.34Å; V232-V248 PolarHBondContact N-O 3.38Å; V232-V248 PolarHBondContact O-N 3.21Å; V232-T250 HydrophobicContact CG2-CG2 4.26Å; V232-V254 HydrophobicContact CG2-CB 4.41Å; V232-V254 HydrophobicContact CG2-CG1 4.01Å; V232-V254 HydrophobicContact CG2-CG2 3.69Å; V232-V257 HydrophobicContact CG1-CG1 4.43Å; V232-V257 HydrophobicContact CG1-CG2 3.99Å; V232-V257 HydrophobicContact CG2-CG2 4Å; V232-L267 HydrophobicContact CG1-CD1 4.19Å; V232-L267 HydrophobicContact CG1-CD2 3.73Å; V232-T269 HydrophobicContact CG2-CG2 3.81Å
233	K	94.9	Very high	89.8	Confident	32 Å²	32	53.1 Å²	53.1	14%	0.139	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	140.8	-177	-70	-178.4	171	-157	0	111	A205 A224 T225 M231 W235 E244	A205-K233 WeakPolarHBondContact O-CD 3.38Å; A205-K233 WeakPolarHBondContact O-CE 3.41Å; A205-K233 PolarHBondContact O-NZ 3.36Å; A224-K233 CarbonylContact C-O 3.59Å; A224-K233 VanDerWaalsContact CA-O 3.31Å; A224-K233 WeakPolarHBondContact CA-O 3.32Å; T225-K233 PolarHBondContact N-O 2.96Å; T225-K233 PolarHBondContact O-N 2.95Å; M231-K233 HydrophobicContact CB-CG 4.39Å; K233-W235 HydrophobicContact CB-CZ2 3.97Å; K233-W235 HydrophobicContact CD-CH2 4.32Å; K233-W235 HydrophobicContact CD-CZ2 3.57Å; K233-W235 HydrophobicContact CG-CZ2 4.43Å; K233-E244 HydrophobicContact CD-CG 4.46Å; K233-E244 WeakPolarHBondContact CD-OE2 3.31Å; K233-E244 VanDerWaalsContact CE-OE2 3.28Å; K233-E244 WeakPolarHBondContact CE-OE2 3.41Å; K233-E244 IonicContact NZ-OE1 2.78Å; K233-E244 IonicContact NZ-OE2 3.13Å; K233-E244 PolarHBondContact NZ-OE2 3.26Å
234	V	94.7	Very high	89.6	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	120.8	177.9	-178.4	0	0	0	0	109.3	W222 I245 Y246 W259 L267 I283	W222-V234 HydrophobicContact CB-CG1 4.4Å; W222-V234 HydrophobicContact CD2-CG1 4.3Å; W222-V234 HydrophobicContact CE3-CG1 4.35Å; W222-V234 HydrophobicContact CG-CG1 4.33Å; V234-I245 PolarHBondContact O-N 2.68Å; V234-Y246 HydrophobicContact CB-CD2 4.34Å; V234-Y246 HydrophobicContact CG1-CD2 4.4Å; V234-Y246 PolarHBondContact N-O 2.8Å; V234-W259 HydrophobicContact CG1-CH2 3.92Å; V234-W259 HydrophobicContact CG1-CZ2 4Å; V234-W259 HydrophobicContact CG2-CH2 4.1Å; V234-W259 HydrophobicContact CG2-CZ2 4.24Å; V234-L267 HydrophobicContact CG2-CD2 4.18Å; V234-I283 HydrophobicContact CG2-CD1 4.22Å; V234-I283 HydrophobicContact CG2-CG2 4.07Å
235	W	93.4	Very high	89.3	Confident	15 Å²	15	59 Å²	59	6%	0.057	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	133.9	-171.3	-57.6	89.9	0	0	0	111.6	F203 A205 G221 W222 L223 T225 K233 M237 A242 K243 E244	F203-W235 HydrophobicContact CD2-CD2 4.02Å; F203-W235 AromaticContact CD2-CE3 3.92Å; F203-W235 HydrophobicContact CD2-CE3 3.92Å; F203-W235 HydrophobicContact CD2-CH2 4.14Å; F203-W235 HydrophobicContact CD2-CZ2 4.22Å; F203-W235 AromaticContact CD2-CZ3 3.98Å; F203-W235 HydrophobicContact CD2-CZ3 3.98Å; F203-W235 AromaticContact CE2-CD1 3.98Å; F203-W235 AromaticContact CE2-CD2 3.46Å; F203-W235 HydrophobicContact CE2-CD2 3.46Å; F203-W235 VanDerWaalsContact CE2-CD2 3.46Å; F203-W235 AromaticContact CE2-CE2 3.56Å; F203-W235 AromaticContact CE2-CE3 3.84Å; F203-W235 HydrophobicContact CE2-CE3 3.84Å; F203-W235 AromaticContact CE2-CG 3.79Å; F203-W235 HydrophobicContact CE2-CG 3.79Å; F203-W235 HydrophobicContact CE2-CH2 4.38Å; F203-W235 HydrophobicContact CE2-CZ2 4.05Å; F203-W235 HydrophobicContact CE2-CZ3 4.28Å; F203-W235 AromaticContact CE2-NE1 3.83Å; F203-W235 HydrophobicContact CZ-CD2 4.28Å; F203-W235 HydrophobicContact CZ-CG 4.17Å; A205-W235 VanDerWaalsContact CA-CZ2 3.49Å; A205-W235 HydrophobicContact CB-CZ2 3.8Å; G221-W235 VanDerWaalsContact O-O 3.09Å; W222-W235 WeakPolarHBondContact CA-O 3.34Å; L223-W235 PolarHBondContact N-O 3.38Å; L223-W235 PolarHBondContact O-N 2.93Å; T225-W235 PolarHBondContact OG1-NE1 3.05Å; K233-W235 HydrophobicContact CB-CZ2 3.97Å; K233-W235 HydrophobicContact CD-CH2 4.32Å; K233-W235 HydrophobicContact CD-CZ2 3.57Å; K233-W235 HydrophobicContact CG-CZ2 4.43Å; W235-M237 HydrophobicContact CB-SD 3.77Å; W235-A242 HydrophobicContact CE3-CB 4.15Å; W235-K243 CarbonylContact C-O 3.59Å; W235-K243 WeakPolarHBondContact CA-O 3.27Å; W235-E244 HydrophobicContact CE3-CB 4.15Å; W235-E244 HydrophobicContact CH2-CB 4.15Å; W235-E244 HydrophobicContact CH2-CG 4.4Å; W235-E244 HydrophobicContact CZ3-CB 3.83Å
236	D	90.8	Very high	89.1	Confident	33 Å²	33	62.2 Å²	62.2	18%	0.176	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	115.1	162.8	-155.6	-33.8	0	0	0	109.5	T238 K243 I245	D236-T238 VanDerWaalsContact OD1-CB 3.29Å; D236-T238 WeakPolarHBondContact OD1-CB 3.28Å; D236-T238 WeakPolarHBondContact OD1-CG2 3.49Å; D236-T238 PolarHBondContact OD1-N 3.06Å; D236-T238 PolarHBondContact OD1-OG1 2.7Å; D236-K243 HydrophobicContact CB-CB 4.29Å; D236-K243 PolarHBondContact N-O 2.84Å; D236-K243 PolarHBondContact O-N 3.43Å; D236-K243 VanDerWaalsContact O-N 3.13Å; D236-I245 HydrophobicContact CB-CD1 3.68Å; D236-I245 HydrophobicContact CB-CG1 3.82Å
237	M	87.4	Confident	88.9	Confident	15 Å²	15	64.2 Å²	64.2	7%	0.074	31%	0.305	C	S	.	.			trans	-98.9	-4.3	175.8	-52.6	-50.5	-74.4	0	0	112.3	L190 R201 F203 W215 G221 L223 W235 T239 A242	L190-M237 HydrophobicContact CD1-CE 3.43Å; L190-M237 VanDerWaalsContact CD1-CE 3.43Å; L190-M237 HydrophobicContact CD2-CE 4.49Å; L190-M237 HydrophobicContact CG-CE 3.9Å; R201-M237 PolarHBondContact NH1-O 2.78Å; F203-M237 HydrophobicContact CD1-CE 4.08Å; F203-M237 HydrophobicContact CE1-CE 3.45Å; F203-M237 VanDerWaalsContact CE1-CE 3.45Å; F203-M237 HydrophobicContact CE1-SD 4.15Å; F203-M237 HydrophobicContact CZ-CE 4.1Å; F203-M237 HydrophobicContact CZ-SD 4.23Å; W215-M237 HydrophobicContact CH2-CG 4.49Å; W215-M237 HydrophobicContact CZ3-CG 4.25Å; G221-M237 WeakPolarHBondContact O-CB 3.31Å; G221-M237 PolarHBondContact O-N 3.41Å; L223-M237 HydrophobicContact CB-CG 4.15Å; W235-M237 HydrophobicContact CB-SD 3.77Å; M237-T239 VanDerWaalsContact C-N 3.32Å; M237-T239 PolarHBondContact O-N 3.36Å; M237-A242 HydrophobicContact CE-CB 3.93Å; M237-A242 HydrophobicContact SD-CB 3.74Å
238	T	83.6	Confident	88.9	Confident	100 Å²	100	64.2 Å²	64.2	61%	0.613	31%	0.305	S	S	*	.	S	Bend	trans	-67.9	-31.9	175.8	68.3	0	0	0	0	112.5	D236	D236-T238 VanDerWaalsContact OD1-CB 3.29Å; D236-T238 WeakPolarHBondContact OD1-CB 3.28Å; D236-T238 WeakPolarHBondContact OD1-CG2 3.49Å; D236-T238 PolarHBondContact OD1-N 3.06Å; D236-T238 PolarHBondContact OD1-OG1 2.7Å
239	T	77.3	Confident	88.8	Confident	64 Å²	64	62.5 Å²	62.5	39%	0.393	30%	0.304	S	S	.	.	S	Bend	trans	-81.7	145.6	172.3	51.8	0	0	0	0	111.3	R201 M237 R241	R201-T239 VanDerWaalsContact CZ-O 3.23Å; R201-T239 PolarHBondContact NH1-O 3.43Å; R201-T239 VanDerWaalsContact NH1-O 3.17Å; R201-T239 PolarHBondContact NH2-O 3.17Å; M237-T239 VanDerWaalsContact C-N 3.32Å; M237-T239 PolarHBondContact O-N 3.36Å; T239-R241 VanDerWaalsContact C-N 3.26Å; T239-R241 CarbonylContact C-O 3.57Å; T239-R241 CarbonylContact O-C 3.51Å; T239-R241 PolarHBondContact O-N 3.32Å; T239-R241 PolarHBondContact OG1-O 3.21Å
240	N	73.8	Confident	88.8	Confident	145 Å²	145	61.3 Å²	61.3	78%	0.775	30%	0.298	S	S	*	.	S	Bend	trans	-54.9	-38.1	-178.3	-172.6	1.4	0	0	0	112.9	R201	R201-N240 VanDerWaalsContact CZ-O 3.24Å; R201-N240 PolarHBondContact NE-O 3.49Å; R201-N240 PolarHBondContact NH2-O 3.47Å
241	R	79.4	Confident	88.5	Confident	223 Å²	223	61.7 Å²	61.7	84%	0.842	30%	0.304	S	S	*	.	S	Bend	trans	-87.5	134.6	164.5	-65.4	-174.3	179.3	-166.8	-2	109.3	T239 K243	T239-R241 VanDerWaalsContact C-N 3.26Å; T239-R241 CarbonylContact C-O 3.57Å; T239-R241 CarbonylContact O-C 3.51Å; T239-R241 PolarHBondContact O-N 3.32Å; T239-R241 PolarHBondContact OG1-O 3.21Å; R241-K243 PolarHBondContact O-N 3.28Å
242	A	83.4	Confident	88.4	Confident	27 Å²	27	60.3 Å²	60.3	22%	0.223	30%	0.298	C	S	.	.			trans	-61	133	168.6	0	0	0	0	0	108.7	F203 W235 M237	F203-A242 HydrophobicContact CB-CB 3.98Å; F203-A242 HydrophobicContact CD1-CB 3.65Å; F203-A242 HydrophobicContact CD2-CB 3.96Å; F203-A242 HydrophobicContact CE1-CB 4.08Å; F203-A242 HydrophobicContact CE2-CB 4.35Å; F203-A242 HydrophobicContact CG-CB 3.59Å; F203-A242 HydrophobicContact CZ-CB 4.4Å; W235-A242 HydrophobicContact CE3-CB 4.15Å; M237-A242 HydrophobicContact CE-CB 3.93Å; M237-A242 HydrophobicContact SD-CB 3.74Å
243	K	86.9	Confident	88.2	Confident	122 Å²	122	61 Å²	61	53%	0.53	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	118.2	-176.7	-173.8	-155.6	165.1	-156.9	0	110.3	W235 D236 R241 I245	W235-K243 CarbonylContact C-O 3.59Å; W235-K243 WeakPolarHBondContact CA-O 3.27Å; D236-K243 HydrophobicContact CB-CB 4.29Å; D236-K243 PolarHBondContact N-O 2.84Å; D236-K243 PolarHBondContact O-N 3.43Å; D236-K243 VanDerWaalsContact O-N 3.13Å; R241-K243 PolarHBondContact O-N 3.28Å; K243-I245 PolarHBondContact O-N 2.87Å
244	E	89.2	Confident	88.2	Confident	73 Å²	73	59.6 Å²	59.6	34%	0.341	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	121.4	169.1	-158.3	172.4	134.4	0	0	109.1	K233 W235 C247	K233-E244 HydrophobicContact CD-CG 4.46Å; K233-E244 WeakPolarHBondContact CD-OE2 3.31Å; K233-E244 VanDerWaalsContact CE-OE2 3.28Å; K233-E244 WeakPolarHBondContact CE-OE2 3.41Å; K233-E244 IonicContact NZ-OE1 2.78Å; K233-E244 IonicContact NZ-OE2 3.13Å; K233-E244 PolarHBondContact NZ-OE2 3.26Å; W235-E244 HydrophobicContact CE3-CB 4.15Å; W235-E244 HydrophobicContact CH2-CB 4.15Å; W235-E244 HydrophobicContact CH2-CG 4.4Å; W235-E244 HydrophobicContact CZ3-CB 3.83Å; E244-C247 WeakPolarHBondContact OE1-CB 3.48Å; E244-C247 PolarHBondContact OE1-SG 3.15Å
245	I	89.4	Confident	88.2	Confident	50 Å²	50	60.3 Å²	60.3	26%	0.256	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	-43.3	176.6	-39.9	175.6	0	0	0	109.8	W222 V234 D236 K243	W222-I245 HydrophobicContact CD2-CD1 4.45Å; W222-I245 HydrophobicContact CG-CD1 4.48Å; W222-I245 HydrophobicContact CZ2-CD1 4.14Å; V234-I245 PolarHBondContact O-N 2.68Å; D236-I245 HydrophobicContact CB-CD1 3.68Å; D236-I245 HydrophobicContact CB-CG1 3.82Å; K243-I245 PolarHBondContact O-N 2.87Å
246	Y	90.6	Very high	88.2	Confident	69 Å²	69	61.4 Å²	61.4	27%	0.271	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	149.2	-174	-54.2	-77.8	0	0	0	110.1	W222 V234 I283	W222-Y246 AromaticContact CH2-CE2 3.87Å; W222-Y246 HydrophobicContact CH2-CE2 3.87Å; W222-Y246 HydrophobicContact CZ2-CE2 4.14Å; W222-Y246 HydrophobicContact CZ3-CE2 4.48Å; V234-Y246 HydrophobicContact CB-CD2 4.34Å; V234-Y246 HydrophobicContact CG1-CD2 4.4Å; V234-Y246 PolarHBondContact N-O 2.8Å; Y246-I283 HydrophobicContact CD1-CG2 3.99Å; Y246-I283 HydrophobicContact CD2-CG2 3.42Å; Y246-I283 VanDerWaalsContact CD2-CG2 3.42Å; Y246-I283 HydrophobicContact CE2-CG2 4.17Å; Y246-I283 HydrophobicContact CG-CG2 3.31Å
247	C	92.5	Very high	88.4	Confident	41 Å²	41	59.9 Å²	59.9	28%	0.277	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	121.1	-175.5	-154.7	0	0	0	0	107.4	M231 E244 P286	M231-C247 HydrophobicContact CE-CB 4.47Å; M231-C247 WeakPolarHBondContact CE-SG 3.35Å; E244-C247 WeakPolarHBondContact OE1-CB 3.48Å; E244-C247 PolarHBondContact OE1-SG 3.15Å; C247-P286 WeakPolarHBondContact O-CB 3.37Å
248	V	93.3	Very high	88.8	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	130.1	-178.1	179.5	0	0	0	0	108	M231 V232 W281 P286	M231-V248 CarbonylContact C-O 3.53Å; M231-V248 WeakPolarHBondContact CA-O 3.22Å; V232-V248 HydrophobicContact CB-CB 4.34Å; V232-V248 PolarHBondContact N-O 3.38Å; V232-V248 PolarHBondContact O-N 3.21Å; V248-W281 HydrophobicContact CG1-CB 4.39Å; V248-W281 HydrophobicContact CG1-CD2 3.51Å; V248-W281 HydrophobicContact CG1-CE3 3.46Å; V248-W281 VanDerWaalsContact CG1-CE3 3.46Å; V248-W281 HydrophobicContact CG1-CG 3.93Å; V248-W281 HydrophobicContact CG1-CH2 4.46Å; V248-W281 HydrophobicContact CG1-CZ3 3.95Å; V248-P286 HydrophobicContact CB-CB 4.3Å; V248-P286 HydrophobicContact CG2-CB 4.03Å
249	Q	92.1	Very high	89.4	Confident	128 Å²	128	56.9 Å²	56.9	60%	0.598	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.3	125.2	179.1	-172.8	172.7	-1.7	0	0	109.9	M231	M231-Q249 HydrophobicContact CE-CB 3.91Å; M231-Q249 HydrophobicContact CE-CG 4.44Å; M231-Q249 HydrophobicContact SD-CB 3.95Å; M231-Q249 HydrophobicContact SD-CG 3.87Å
250	T	90.4	Very high	90.1	Very high	12 Å²	12	54.4 Å²	54.4	7%	0.074	26%	0.261	C	S	.	.			trans	-103.3	159.9	177.9	58.2	0	0	0	0	111.4	K230 V232 A252 V254 W281	K230-T250 WeakPolarHBondContact CB-O 3.35Å; K230-T250 PolarHBondContact O-N 3.35Å; K230-T250 PolarHBondContact O-OG1 3.09Å; V232-T250 HydrophobicContact CG2-CG2 4.26Å; T250-A252 VanDerWaalsContact C-N 3.33Å; T250-A252 PolarHBondContact OG1-O 2.89Å; T250-V254 HydrophobicContact CG2-CG2 4.08Å; T250-V254 WeakPolarHBondContact OG1-CG2 3.48Å; T250-W281 HydrophobicContact CG2-CZ2 3.92Å
251	I	86.6	Confident	90.8	Very high	108 Å²	108	47.8 Å²	47.8	55%	0.554	23%	0.225	S	C	*	.	S	Bend	trans	-68	-37	-179.1	-61.1	163.9	0	0	0	110.9	K230 Y279	K230-I251 WeakPolarHBondContact CD-O 3.18Å; K230-I251 WeakPolarHBondContact CE-O 3.15Å; K230-I251 PolarHBondContact NZ-O 2.81Å; I251-Y279 HydrophobicContact CD1-CE1 4.34Å
252	A	90.6	Very high	91.2	Very high	9 Å²	9	42 Å²	42	7%	0.074	21%	0.208	C	C	.	.	S	Bend	trans	-132.7	172.3	-177.2	0	0	0	0	0	112.4	T250 V274 D275	T250-A252 VanDerWaalsContact C-N 3.33Å; T250-A252 PolarHBondContact OG1-O 2.89Å; A252-V274 HydrophobicContact CB-CB 4.26Å; A252-D275 HydrophobicContact CB-CB 4.03Å
253	S	92.9	Very high	91.4	Very high	15 Å²	15	43.6 Å²	43.6	11%	0.105	21%	0.21	C	C	.	.			trans	-58.9	131.9	177	176.8	0	0	0	0	111.6	F211 S271 M272	F211-S253 WeakPolarHBondContact CE2-OG 3.28Å; S253-S271 CarbonylContact O-C 3.58Å; S253-S271 VanDerWaalsContact O-CA 3.3Å; S253-S271 WeakPolarHBondContact O-CA 3.45Å; S253-M272 PolarHBondContact O-N 3.4Å
254	V	94.5	Very high	91.4	Very high	3 Å²	3	41.3 Å²	41.3	2%	0.018	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	124.3	-173.9	-172.4	0	0	0	0	110.4	F211 G227 V232 T250 V257	F211-V254 WeakPolarHBondContact CB-O 3.07Å; F211-V254 WeakPolarHBondContact CD2-O 3.14Å; G227-V254 PolarHBondContact O-N 3.39Å; V232-V254 HydrophobicContact CG2-CB 4.41Å; V232-V254 HydrophobicContact CG2-CG1 4.01Å; V232-V254 HydrophobicContact CG2-CG2 3.69Å; T250-V254 HydrophobicContact CG2-CG2 4.08Å; T250-V254 WeakPolarHBondContact OG1-CG2 3.48Å; V254-V257 HydrophobicContact CG1-CG2 3.79Å
255	A	93.2	Very high	91.4	Very high	14 Å²	14	40.3 Å²	40.3	12%	0.116	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	-45.1	178.4	0	0	0	0	0	112.8	C212 C270 M272	C212-A255 WeakPolarHBondContact CB-O 3.37Å; A255-C270 PolarHBondContact N-O 2.93Å; A255-M272 HydrophobicContact CB-CB 3.87Å; A255-M272 HydrophobicContact CB-CG 4.23Å
256	R	94.4	Very high	91.6	Very high	39 Å²	39	38.9 Å²	38.9	15%	0.147	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	146.7	178.1	-50.7	-69.2	-169.9	-178.2	8.8	109.8	D79 C212 T269 C270 T301 I303	D79-R256 IonicContact OD1-NH2 2.84Å; C212-R256 VanDerWaalsContact SG-C 3.58Å; C212-R256 VanDerWaalsContact SG-CA 3.55Å; R256-T269 WeakPolarHBondContact O-CA 3.36Å; R256-C270 VanDerWaalsContact CB-SG 3.57Å; R256-C270 PolarHBondContact O-N 3.09Å; R256-T301 PolarHBondContact NE-O 3.13Å; R256-I303 HydrophobicContact CB-CD1 4.22Å; R256-I303 HydrophobicContact CB-CG1 3.96Å
257	V	95.9	Very high	91.7	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.006	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	138.3	164.8	178.7	0	0	0	0	108.1	C212 D214 A224 V232 V254 L267 A268 T269	C212-V257 PolarHBondContact SG-N 2.9Å; C212-V257 VanDerWaalsContact SG-N 3.42Å; D214-V257 HydrophobicContact CB-CG1 4.49Å; A224-V257 HydrophobicContact CB-CG1 3.83Å; V232-V257 HydrophobicContact CG1-CG1 4.43Å; V232-V257 HydrophobicContact CG1-CG2 3.99Å; V232-V257 HydrophobicContact CG2-CG2 4Å; V254-V257 HydrophobicContact CG1-CG2 3.79Å; V257-L267 HydrophobicContact CG1-CB 4.26Å; V257-L267 HydrophobicContact CG1-CD1 4.43Å; V257-L267 HydrophobicContact CG1-CD2 4.27Å; V257-A268 CarbonylContact C-O 3.51Å; V257-A268 VanDerWaalsContact CA-O 3.31Å; V257-A268 WeakPolarHBondContact CA-O 3.4Å; V257-T269 HydrophobicContact CG2-CG2 4.36Å
258	K	95.4	Very high	91.9	Very high	43 Å²	43	33.7 Å²	33.7	19%	0.187	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	121	168	-70.7	-65	140.3	-159	0	112.7	D214 A268 I303 W305	D214-K258 IonicContact OD1-NZ 2.7Å; D214-K258 PolarHBondContact OD1-NZ 2.64Å; D214-K258 VanDerWaalsContact OD2-CA 3.28Å; D214-K258 WeakPolarHBondContact OD2-CA 3.41Å; K258-A268 PolarHBondContact N-O 3.25Å; K258-A268 PolarHBondContact O-N 3.23Å; K258-I303 HydrophobicContact CG-CG1 4.16Å; K258-W305 PolarHBondContact O-NE1 3.45Å
259	W	94.7	Very high	92	Very high	9 Å²	9	33.9 Å²	33.9	3%	0.034	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	138.8	173.2	-73.6	102.1	0	0	0	111.7	D214 W215 H216 P217 W222 A224 V234 L267 I283 W305	D214-W259 PolarHBondContact O-NE1 2.62Å; D214-W259 PolarHBondContact OD2-N 2.91Å; W215-W259 VanDerWaalsContact C-CD1 3.44Å; W215-W259 VanDerWaalsContact O-CD1 3.29Å; H216-W259 HydrophobicContact CB-CD2 4.2Å; H216-W259 HydrophobicContact CB-CG 4.43Å; H216-W259 HydrophobicContact CB-CZ2 4.31Å; H216-W259 AromaticContact CD2-CD2 3.63Å; H216-W259 AromaticContact CD2-CE2 3.9Å; H216-W259 AromaticContact CD2-CE3 3.32Å; H216-W259 AromaticContact CD2-CH2 3.63Å; H216-W259 AromaticContact CD2-CZ2 3.93Å; H216-W259 AromaticContact CD2-CZ3 3.3Å; H216-W259 WeakPolarHBondContact CD2-CZ3 3.44Å; H216-W259 AromaticContact NE2-CE3 3.71Å; H216-W259 AromaticContact NE2-CZ3 3.79Å; P217-W259 HydrophobicContact CG-CB 4.49Å; W222-W259 HydrophobicContact CB-CZ2 4.34Å; W222-W259 AromaticContact CE3-CH2 3.84Å; W222-W259 HydrophobicContact CE3-CH2 3.84Å; W222-W259 HydrophobicContact CE3-CZ3 4.34Å; W222-W259 HydrophobicContact CZ3-CH2 4.5Å; A224-W259 HydrophobicContact CB-CZ2 3.81Å; V234-W259 HydrophobicContact CG1-CH2 3.92Å; V234-W259 HydrophobicContact CG1-CZ2 4Å; V234-W259 HydrophobicContact CG2-CH2 4.1Å; V234-W259 HydrophobicContact CG2-CZ2 4.24Å; W259-L267 HydrophobicContact CE3-CB 4.31Å; W259-I283 HydrophobicContact CE3-CD1 4.14Å; W259-I283 HydrophobicContact CH2-CD1 3.35Å; W259-I283 HydrophobicContact CZ2-CD1 4.49Å; W259-I283 HydrophobicContact CZ3-CD1 3.13Å; W259-W305 PolarHBondContact O-NE1 3.18Å
260	R	93.1	Very high	92	Very high	12 Å²	12	27.9 Å²	27.9	5%	0.045	13%	0.134	C	C	.	.	P	Polyproline II helix	trans	-82.4	124.6	175.1	-172.2	177.2	-176.3	-157.2	3.3	110	K263 H266 W305 P311 F328	R260-K263 HydrophobicContact CB-CB 4.23Å; R260-K263 HydrophobicContact CG-CB 4.04Å; R260-K263 HydrophobicContact CG-CG 4.38Å; R260-K263 PolarHBondContact O-N 2.87Å; R260-H266 HydrophobicContact CB-CB 3.73Å; R260-H266 WeakPolarHBondContact CB-O 3.42Å; R260-H266 HydrophobicContact CG-CB 4.4Å; R260-H266 PolarHBondContact N-O 2.7Å; R260-W305 HydrophobicContact CB-CH2 4.28Å; R260-W305 HydrophobicContact CB-CZ2 3.66Å; R260-W305 HydrophobicContact CG-CD2 4.23Å; R260-W305 HydrophobicContact CG-CE3 4.29Å; R260-W305 HydrophobicContact CG-CH2 3.67Å; R260-W305 HydrophobicContact CG-CZ2 3.55Å; R260-W305 HydrophobicContact CG-CZ3 4.03Å; R260-P311 HydrophobicContact CG-CB 4.22Å; R260-P311 VanDerWaalsContact CZ-O 3.32Å; R260-P311 PolarHBondContact NE-O 3.37Å; R260-P311 PolarHBondContact NH2-O 3.15Å; R260-F328 VanDerWaalsContact NH1-CE1 3.28Å; R260-F328 VanDerWaalsContact NH2-CE1 3.29Å
261	P	88.9	Confident	92.1	Very high	5 Å²	5	27.7 Å²	27.7	3%	0.032	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	153.6	178.5	24.7	-33.2	0	0	0	112.1	K263 W305 H307 Q308	P261-K263 PolarHBondContact O-N 2.85Å; P261-W305 HydrophobicContact CG-CB 4.25Å; P261-W305 HydrophobicContact CG-CG 4.45Å; P261-H307 WeakPolarHBondContact CG-O 3.34Å; P261-Q308 WeakPolarHBondContact CB-O 3.43Å
262	E	87.4	Confident	91.7	Very high	101 Å²	101	25 Å²	25	47%	0.472	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	8.6	-178.7	-54.2	-67.7	150.1	0	0	115	H309	E262-H309 IonicContact OE1-CE1 3.76Å; E262-H309 IonicContact OE1-CG 2.93Å; E262-H309 IonicContact OE1-ND1 2.77Å; E262-H309 PolarHBondContact OE1-ND1 3.18Å
263	K	88.4	Confident	91.1	Very high	61 Å²	61	31 Å²	31	27%	0.265	15%	0.147	S	C	.	.			trans	-139.2	65	-168.1	-71.1	-65.8	-178.1	179.3	0	112.2	R260 P261 F265 H266 P311	R260-K263 HydrophobicContact CB-CB 4.23Å; R260-K263 HydrophobicContact CG-CB 4.04Å; R260-K263 HydrophobicContact CG-CG 4.38Å; R260-K263 PolarHBondContact O-N 2.87Å; P261-K263 PolarHBondContact O-N 2.85Å; K263-F265 PolarHBondContact O-N 2.82Å; K263-H266 HydrophobicContact CB-CB 4.1Å; K263-H266 PolarHBondContact O-N 2.85Å; K263-P311 HydrophobicContact CG-CB 4.21Å
264	K	86.6	Confident	90.5	Very high	75 Å²	75	36.2 Å²	36.2	33%	0.326	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-22.5	-36.8	176.7	-172.5	-179.8	171.8	78.4	0	119.7	H216 D219 W222	H216-K264 WeakPolarHBondContact NE2-CA 3.39Å; H216-K264 PolarHBondContact NE2-O 2.88Å; H216-K264 VanDerWaalsContact NE2-O 3.13Å; D219-K264 IonicContact OD1-NZ 2.89Å; D219-K264 PolarHBondContact OD1-NZ 2.91Å; D219-K264 IonicContact OD2-NZ 3.36Å; D219-K264 PolarHBondContact OD2-NZ 2.99Å; W222-K264 HydrophobicContact CZ3-CG 4.19Å
265	F	89.5	Confident	90.1	Very high	52 Å²	52	36.6 Å²	36.6	23%	0.228	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.8	4.3	-176.3	-59.8	-75.6	0	0	0	114.3	W222 K263 D282 I283 R284	W222-F265 HydrophobicContact CH2-CD1 4.24Å; W222-F265 AromaticContact CH2-CE1 3.81Å; W222-F265 HydrophobicContact CH2-CE1 3.81Å; W222-F265 HydrophobicContact CZ3-CD1 4.26Å; W222-F265 HydrophobicContact CZ3-CE1 4.27Å; K263-F265 PolarHBondContact O-N 2.82Å; F265-D282 WeakPolarHBondContact O-CA 3.43Å; F265-I283 WeakPolarHBondContact O-CD1 3.45Å; F265-I283 VanDerWaalsContact O-CG1 3.3Å; F265-I283 WeakPolarHBondContact O-CG1 3.48Å; F265-I283 PolarHBondContact O-N 2.8Å; F265-R284 HydrophobicContact CB-CG 4.28Å; F265-R284 HydrophobicContact CD1-CG 3.61Å; F265-R284 HydrophobicContact CE1-CG 4.06Å; F265-R284 HydrophobicContact CG-CG 3.99Å
266	H	92.1	Very high	90	Very high	20 Å²	20	39.2 Å²	39.2	9%	0.093	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	126.4	-177.7	-69	-104.8	0	0	0	112	R260 K263 V280 W281 F290	R260-H266 HydrophobicContact CB-CB 3.73Å; R260-H266 WeakPolarHBondContact CB-O 3.42Å; R260-H266 HydrophobicContact CG-CB 4.4Å; R260-H266 PolarHBondContact N-O 2.7Å; K263-H266 HydrophobicContact CB-CB 4.1Å; K263-H266 PolarHBondContact O-N 2.85Å; H266-V280 HydrophobicContact CB-CG1 4.36Å; H266-W281 VanDerWaalsContact CA-O 3.29Å; H266-W281 WeakPolarHBondContact CA-O 3.27Å; H266-F290 AromaticContact CE1-CD1 3.88Å; H266-F290 AromaticContact CE1-CD2 3.81Å; H266-F290 AromaticContact CE1-CE2 3.93Å; H266-F290 AromaticContact CE1-CG 3.79Å
267	L	94.1	Very high	90	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	148.3	168.3	60.1	75.6	0	0	0	111	A224 V232 V234 V257 W259 T269 V280 W281 I283	A224-L267 HydrophobicContact CB-CD2 4.32Å; V232-L267 HydrophobicContact CG1-CD1 4.19Å; V232-L267 HydrophobicContact CG1-CD2 3.73Å; V234-L267 HydrophobicContact CG2-CD2 4.18Å; V257-L267 HydrophobicContact CG1-CB 4.26Å; V257-L267 HydrophobicContact CG1-CD1 4.43Å; V257-L267 HydrophobicContact CG1-CD2 4.27Å; W259-L267 HydrophobicContact CE3-CB 4.31Å; L267-T269 HydrophobicContact CD1-CG2 3.52Å; L267-V280 CarbonylContact O-C 3.57Å; L267-V280 VanDerWaalsContact O-CA 3.31Å; L267-V280 WeakPolarHBondContact O-CA 3.48Å; L267-W281 HydrophobicContact CD1-CB 4.09Å; L267-W281 HydrophobicContact CD1-CG 4.25Å; L267-W281 PolarHBondContact N-O 3.11Å; L267-W281 PolarHBondContact O-N 2.94Å; L267-I283 HydrophobicContact CB-CD1 4.34Å; L267-I283 HydrophobicContact CD2-CD1 3.62Å; L267-I283 HydrophobicContact CD2-CG1 3.72Å; L267-I283 HydrophobicContact CG-CD1 3.87Å; L267-I283 HydrophobicContact CG-CG1 3.82Å
268	A	95.3	Very high	89.9	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	144.4	173.1	0	0	0	0	0	110.6	V257 K258 Y279 V280 I303 W305	V257-A268 CarbonylContact C-O 3.51Å; V257-A268 VanDerWaalsContact CA-O 3.31Å; V257-A268 WeakPolarHBondContact CA-O 3.4Å; K258-A268 PolarHBondContact N-O 3.25Å; K258-A268 PolarHBondContact O-N 3.23Å; A268-Y279 CarbonylContact C-O 3.54Å; A268-Y279 WeakPolarHBondContact CA-O 3.39Å; A268-V280 HydrophobicContact CB-CG2 4.1Å; A268-I303 HydrophobicContact CB-CD1 4.13Å; A268-W305 HydrophobicContact CB-CZ2 3.99Å
269	T	95.5	Very high	89.9	Confident	4 Å²	4	37.8 Å²	37.8	3%	0.025	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	138.2	-179.3	63.7	0	0	0	0	111.1	V232 R256 V257 L267 Y279 W281	V232-T269 HydrophobicContact CG2-CG2 3.81Å; R256-T269 WeakPolarHBondContact O-CA 3.36Å; V257-T269 HydrophobicContact CG2-CG2 4.36Å; L267-T269 HydrophobicContact CD1-CG2 3.52Å; T269-Y279 PolarHBondContact N-O 2.85Å; T269-Y279 PolarHBondContact O-N 2.89Å; T269-Y279 PolarHBondContact OG1-O 2.98Å; T269-W281 PolarHBondContact OG1-NE1 2.62Å
270	C	93.6	Very high	89.8	Confident	3 Å²	3	37.3 Å²	37.3	2%	0.02	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	156.7	164.3	65	0	0	0	0	111.2	A255 R256 T300 I303	A255-C270 PolarHBondContact N-O 2.93Å; R256-C270 VanDerWaalsContact CB-SG 3.57Å; R256-C270 PolarHBondContact O-N 3.09Å; C270-T300 WeakPolarHBondContact CB-OG1 3.4Å; C270-T300 PolarHBondContact SG-O 3.43Å; C270-I303 HydrophobicContact CB-CD1 4.36Å; C270-I303 HydrophobicContact CB-CG2 4.04Å
271	S	91.3	Very high	89.8	Confident	7 Å²	7	37.1 Å²	37.1	5%	0.049	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	162.5	179.4	125.5	0	0	0	0	112.5	S253 M273 D275 V299	S253-S271 CarbonylContact O-C 3.58Å; S253-S271 VanDerWaalsContact O-CA 3.3Å; S253-S271 WeakPolarHBondContact O-CA 3.45Å; S271-M273 PolarHBondContact OG-N 2.85Å; S271-D275 WeakPolarHBondContact CB-O 3.39Å; S271-D275 WeakPolarHBondContact OG-CA 3.21Å; S271-D275 WeakPolarHBondContact OG-CB 3.22Å; S271-D275 PolarHBondContact OG-N 2.95Å; S271-D275 VanDerWaalsContact OG-N 3.08Å; S271-D275 PolarHBondContact OG-O 3.01Å; S271-V299 WeakPolarHBondContact O-CG1 3.28Å
272	M	79.6	Confident	89.9	Confident	51 Å²	51	37.1 Å²	37.1	25%	0.251	18%	0.182	S	C	.	.	S	Bend	trans	-97.1	-20.2	-176.1	-161.2	176.1	65.4	0	0	115.4	F211 S253 A255 V299	F211-M272 HydrophobicContact CD1-SD 4.06Å; F211-M272 HydrophobicContact CD2-CE 4.28Å; F211-M272 HydrophobicContact CD2-SD 3.99Å; F211-M272 HydrophobicContact CE1-CE 4.15Å; F211-M272 HydrophobicContact CE1-SD 3.96Å; F211-M272 HydrophobicContact CE2-CE 3.58Å; F211-M272 HydrophobicContact CE2-SD 3.86Å; F211-M272 HydrophobicContact CG-SD 4.08Å; F211-M272 HydrophobicContact CZ-CE 3.5Å; F211-M272 HydrophobicContact CZ-SD 3.85Å; S253-M272 PolarHBondContact O-N 3.4Å; A255-M272 HydrophobicContact CB-CB 3.87Å; A255-M272 HydrophobicContact CB-CG 4.23Å; M272-V299 WeakPolarHBondContact O-CG1 3.1Å
273	M	77.3	Confident	90	Very high	135 Å²	135	32.4 Å²	32.4	67%	0.665	16%	0.16	S	C	*	.	S	Bend	trans	-148.7	-45	-163.9	-69.7	-176.8	69.6	0	0	116.6	S271	S271-M273 PolarHBondContact OG-N 2.85Å
274	V	80.4	Confident	89.8	Confident	125 Å²	125	33.1 Å²	33.1	76%	0.758	16%	0.161	S	C	*	.	S	Bend	trans	-108.5	-36	-167.5	-177.5	0	0	0	0	111.8	A252	A252-V274 HydrophobicContact CB-CB 4.26Å
275	D	86.7	Confident	89.6	Confident	12 Å²	12	35.2 Å²	35.2	6%	0.064	17%	0.167	C	C	.	.			trans	-111.5	129.2	-172.3	-167.9	-15.6	0	0	0	109.5	A252 S271 N277 Y279	A252-D275 HydrophobicContact CB-CB 4.03Å; S271-D275 WeakPolarHBondContact CB-O 3.39Å; S271-D275 WeakPolarHBondContact OG-CA 3.21Å; S271-D275 WeakPolarHBondContact OG-CB 3.22Å; S271-D275 PolarHBondContact OG-N 2.95Å; S271-D275 VanDerWaalsContact OG-N 3.08Å; S271-D275 PolarHBondContact OG-O 3.01Å; D275-N277 WeakPolarHBondContact OD1-CB 3.3Å; D275-N277 PolarHBondContact OD1-N 2.86Å; D275-N277 PolarHBondContact OD1-ND2 3.01Å; D275-Y279 WeakPolarHBondContact OD2-CE2 3.44Å; D275-Y279 PolarHBondContact OD2-OH 2.94Å; D275-Y279 VanDerWaalsContact OD2-OH 3.05Å
276	H	90.9	Very high	89.2	Confident	68 Å²	68	34.1 Å²	34.1	32%	0.315	17%	0.165	S	C	.	.			trans	-92.8	-21.1	-178.1	50.8	100.3	0	0	0	111.7	H296 D298 T300	H276-H296 PolarHBondContact ND1-O 2.97Å; H276-D298 WeakPolarHBondContact CB-O 3.49Å; H276-T300 VanDerWaalsContact O-CG2 3.29Å; H276-T300 WeakPolarHBondContact O-CG2 3.37Å; H276-T300 PolarHBondContact O-OG1 2.86Å
277	N	92.6	Very high	88.8	Confident	22 Å²	22	42 Å²	42	12%	0.118	20%	0.199	C	C	.	.			trans	-70.7	155.3	-173.2	-54.4	-64.3	0	0	0	112.1	D275 Y279 F293 E294	D275-N277 WeakPolarHBondContact OD1-CB 3.3Å; D275-N277 PolarHBondContact OD1-N 2.86Å; D275-N277 PolarHBondContact OD1-ND2 3.01Å; N277-Y279 HydrophobicContact CB-CD2 4.48Å; N277-Y279 HydrophobicContact CB-CE2 3.68Å; N277-Y279 PolarHBondContact ND2-OH 3.4Å; N277-F293 WeakPolarHBondContact CA-O 3.39Å; N277-E294 WeakPolarHBondContact OD1-CA 3.29Å
278	I	94.7	Very high	88.4	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	122	173.8	-52.8	167	0	0	0	108.4	T292 F293 T300 I303 L314 S316	I278-T292 WeakPolarHBondContact O-CA 3.47Å; I278-F293 HydrophobicContact CB-CB 4.3Å; I278-F293 HydrophobicContact CB-CD2 4.16Å; I278-F293 HydrophobicContact CG2-CD2 4.36Å; I278-F293 PolarHBondContact N-O 2.71Å; I278-F293 VanDerWaalsContact N-O 3.1Å; I278-F293 PolarHBondContact O-N 2.83Å; I278-T300 HydrophobicContact CD1-CG2 3.99Å; I278-T300 HydrophobicContact CG1-CG2 3.92Å; I278-I303 HydrophobicContact CD1-CG2 3.88Å; I278-I303 HydrophobicContact CG1-CG2 4.23Å; I278-I303 HydrophobicContact CG2-CG2 4.22Å; I278-L314 HydrophobicContact CG2-CD2 3.97Å; I278-S316 WeakPolarHBondContact CD1-OG 3.33Å
279	Y	94.6	Very high	88.2	Confident	31 Å²	31	46.3 Å²	46.3	12%	0.122	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	134.9	-178.7	-61.3	-91.9	0	0	0	110.2	I251 A268 T269 D275 N277 W281 P289 T292	I251-Y279 HydrophobicContact CD1-CE1 4.34Å; A268-Y279 CarbonylContact C-O 3.54Å; A268-Y279 WeakPolarHBondContact CA-O 3.39Å; T269-Y279 PolarHBondContact N-O 2.85Å; T269-Y279 PolarHBondContact O-N 2.89Å; T269-Y279 PolarHBondContact OG1-O 2.98Å; D275-Y279 WeakPolarHBondContact OD2-CE2 3.44Å; D275-Y279 PolarHBondContact OD2-OH 2.94Å; D275-Y279 VanDerWaalsContact OD2-OH 3.05Å; N277-Y279 HydrophobicContact CB-CD2 4.48Å; N277-Y279 HydrophobicContact CB-CE2 3.68Å; N277-Y279 PolarHBondContact ND2-OH 3.4Å; Y279-W281 VanDerWaalsContact CB-NE1 3.29Å; Y279-W281 HydrophobicContact CD1-CZ2 4.22Å; Y279-W281 HydrophobicContact CG-CZ2 4.1Å; Y279-P289 HydrophobicContact CD1-CB 3.76Å; Y279-P289 HydrophobicContact CD1-CG 3.73Å; Y279-P289 HydrophobicContact CE1-CG 4.24Å; Y279-T292 HydrophobicContact CD1-CG2 3.22Å; Y279-T292 HydrophobicContact CE1-CG2 3.33Å; Y279-T292 HydrophobicContact CG-CG2 4.11Å
280	V	94.4	Very high	87.9	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	120.2	166.3	-175.2	0	0	0	0	108.4	H266 L267 A268 F290 A291 F293 W305 F328	H266-V280 HydrophobicContact CB-CG1 4.36Å; L267-V280 CarbonylContact O-C 3.57Å; L267-V280 VanDerWaalsContact O-CA 3.31Å; L267-V280 WeakPolarHBondContact O-CA 3.48Å; A268-V280 HydrophobicContact CB-CG2 4.1Å; V280-F290 WeakPolarHBondContact O-CA 3.32Å; V280-F290 WeakPolarHBondContact O-CB 3.06Å; V280-F290 PolarHBondContact O-N 3.05Å; V280-A291 HydrophobicContact CB-CB 4.45Å; V280-A291 PolarHBondContact N-O 3.42Å; V280-A291 PolarHBondContact O-N 2.89Å; V280-F293 HydrophobicContact CG2-CE2 4Å; V280-W305 HydrophobicContact CG2-CH2 4.39Å; V280-W305 HydrophobicContact CG2-CZ2 4.36Å; V280-F328 HydrophobicContact CB-CE2 4.19Å; V280-F328 HydrophobicContact CG1-CE2 4.02Å; V280-F328 HydrophobicContact CG2-CE2 4.14Å
281	W	93.1	Very high	87.8	Confident	8 Å²	8	47.8 Å²	47.8	3%	0.03	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	143.6	-174.2	-57.8	85.6	0	0	0	110.8	V248 T250 H266 L267 T269 Y279 P289	V248-W281 HydrophobicContact CG1-CB 4.39Å; V248-W281 HydrophobicContact CG1-CD2 3.51Å; V248-W281 HydrophobicContact CG1-CE3 3.46Å; V248-W281 VanDerWaalsContact CG1-CE3 3.46Å; V248-W281 HydrophobicContact CG1-CG 3.93Å; V248-W281 HydrophobicContact CG1-CH2 4.46Å; V248-W281 HydrophobicContact CG1-CZ3 3.95Å; T250-W281 HydrophobicContact CG2-CZ2 3.92Å; H266-W281 VanDerWaalsContact CA-O 3.29Å; H266-W281 WeakPolarHBondContact CA-O 3.27Å; L267-W281 HydrophobicContact CD1-CB 4.09Å; L267-W281 HydrophobicContact CD1-CG 4.25Å; L267-W281 PolarHBondContact N-O 3.11Å; L267-W281 PolarHBondContact O-N 2.94Å; T269-W281 PolarHBondContact OG1-NE1 2.62Å; Y279-W281 VanDerWaalsContact CB-NE1 3.29Å; Y279-W281 HydrophobicContact CD1-CZ2 4.22Å; Y279-W281 HydrophobicContact CG-CZ2 4.1Å; W281-P289 HydrophobicContact CD2-CB 4.04Å; W281-P289 HydrophobicContact CE3-CB 3.93Å; W281-P289 HydrophobicContact CH2-CB 4.12Å; W281-P289 HydrophobicContact CH2-CG 4.3Å; W281-P289 HydrophobicContact CZ2-CB 4.2Å; W281-P289 HydrophobicContact CZ3-CB 3.99Å; W281-P289 HydrophobicContact CZ3-CG 4.34Å
282	D	90.1	Very high	87.9	Confident	4 Å²	4	47.7 Å²	47.7	2%	0.021	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	116.3	155.1	-173.4	-35.8	0	0	0	107.5	F265 R284 R285 F290 F390	F265-D282 WeakPolarHBondContact O-CA 3.43Å; D282-R284 PolarHBondContact O-N 3.42Å; D282-R284 VanDerWaalsContact OD1-CB 3.24Å; D282-R284 WeakPolarHBondContact OD1-CB 3.5Å; D282-R284 VanDerWaalsContact OD1-CG 3.32Å; D282-R284 WeakPolarHBondContact OD1-CG 3.49Å; D282-R284 IonicContact OD1-CZ 3.79Å; D282-R284 PolarHBondContact OD1-N 3.5Å; D282-R284 IonicContact OD1-NE 3.73Å; D282-R284 PolarHBondContact OD1-NE 3.07Å; D282-R284 IonicContact OD1-NH2 2.62Å; D282-R284 IonicContact OD2-CZ 3.56Å; D282-R284 IonicContact OD2-NE 3.42Å; D282-R284 PolarHBondContact OD2-NE 2.86Å; D282-R284 IonicContact OD2-NH2 3.38Å; D282-R284 PolarHBondContact OD2-NH2 2.92Å; D282-R285 CarbonylContact O-C 3.55Å; D282-R285 PolarHBondContact O-N 3.03Å; D282-F290 HydrophobicContact CB-CB 4.46Å; D282-F390 WeakPolarHBondContact OD2-CE1 3.34Å
283	I	89	Confident	88.5	Confident	2 Å²	2	45.8 Å²	45.8	1%	0.01	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-18.9	-173.7	-65.7	159.7	0	0	0	112.3	V234 Y246 W259 F265 L267 R285	V234-I283 HydrophobicContact CG2-CD1 4.22Å; V234-I283 HydrophobicContact CG2-CG2 4.07Å; Y246-I283 HydrophobicContact CD1-CG2 3.99Å; Y246-I283 HydrophobicContact CD2-CG2 3.42Å; Y246-I283 VanDerWaalsContact CD2-CG2 3.42Å; Y246-I283 HydrophobicContact CE2-CG2 4.17Å; Y246-I283 HydrophobicContact CG-CG2 3.31Å; W259-I283 HydrophobicContact CE3-CD1 4.14Å; W259-I283 HydrophobicContact CH2-CD1 3.35Å; W259-I283 HydrophobicContact CZ2-CD1 4.49Å; W259-I283 HydrophobicContact CZ3-CD1 3.13Å; F265-I283 WeakPolarHBondContact O-CD1 3.45Å; F265-I283 VanDerWaalsContact O-CG1 3.3Å; F265-I283 WeakPolarHBondContact O-CG1 3.48Å; F265-I283 PolarHBondContact O-N 2.8Å; L267-I283 HydrophobicContact CB-CD1 4.34Å; L267-I283 HydrophobicContact CD2-CD1 3.62Å; L267-I283 HydrophobicContact CD2-CG1 3.72Å; L267-I283 HydrophobicContact CG-CD1 3.87Å; L267-I283 HydrophobicContact CG-CG1 3.82Å; I283-R285 VanDerWaalsContact C-N 3.31Å
284	R	85.6	Confident	89.3	Confident	77 Å²	77	43.5 Å²	43.5	29%	0.291	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-9.7	176.2	-52.2	172.1	-65.7	155.8	5.3	112.9	F265 D282 E388 F390	F265-R284 HydrophobicContact CB-CG 4.28Å; F265-R284 HydrophobicContact CD1-CG 3.61Å; F265-R284 HydrophobicContact CE1-CG 4.06Å; F265-R284 HydrophobicContact CG-CG 3.99Å; D282-R284 PolarHBondContact O-N 3.42Å; D282-R284 VanDerWaalsContact OD1-CB 3.24Å; D282-R284 WeakPolarHBondContact OD1-CB 3.5Å; D282-R284 VanDerWaalsContact OD1-CG 3.32Å; D282-R284 WeakPolarHBondContact OD1-CG 3.49Å; D282-R284 IonicContact OD1-CZ 3.79Å; D282-R284 PolarHBondContact OD1-N 3.5Å; D282-R284 IonicContact OD1-NE 3.73Å; D282-R284 PolarHBondContact OD1-NE 3.07Å; D282-R284 IonicContact OD1-NH2 2.62Å; D282-R284 IonicContact OD2-CZ 3.56Å; D282-R284 IonicContact OD2-NE 3.42Å; D282-R284 PolarHBondContact OD2-NE 2.86Å; D282-R284 IonicContact OD2-NH2 3.38Å; D282-R284 PolarHBondContact OD2-NH2 2.92Å; R284-E388 IonicContact CZ-OE1 3.45Å; R284-E388 IonicContact NH1-OE1 3.75Å; R284-E388 PolarHBondContact NH1-OE1 3.41Å; R284-F390 VanDerWaalsContact NH2-CZ 3.32Å
285	R	82.3	Confident	89.7	Confident	118 Å²	118	42.3 Å²	42.3	45%	0.445	19%	0.192	S	C	.	.			trans	-133.1	72.6	178.8	-66.3	-173.2	179.9	-83.8	2	110	D282 I283 F287 F390	D282-R285 CarbonylContact O-C 3.55Å; D282-R285 PolarHBondContact O-N 3.03Å; I283-R285 VanDerWaalsContact C-N 3.31Å; R285-F287 PolarHBondContact O-N 2.83Å; R285-F390 HydrophobicContact CG-CZ 4.46Å; R285-F390 VanDerWaalsContact NE-CE1 3.35Å; R285-F390 VanDerWaalsContact NH2-CE2 3.28Å
286	P	80.9	Confident	90	Very high	30 Å²	30	42 Å²	42	20%	0.195	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-8.3	-169.2	28.2	-37.3	0	0	0	116	C247 V248	C247-P286 WeakPolarHBondContact O-CB 3.37Å; V248-P286 HydrophobicContact CB-CB 4.3Å; V248-P286 HydrophobicContact CG2-CB 4.03Å
287	F	83.4	Confident	90.1	Very high	184 Å²	184	47.8 Å²	47.8	81%	0.807	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-20.7	-173.1	-52.9	-68.3	0	0	0	114.5	R285	R285-F287 PolarHBondContact O-N 2.83Å
288	I	85.8	Confident	90	Very high	77 Å²	77	50 Å²	50	40%	0.395	23%	0.226	S	C	.	.	S	Bend	trans	-136.2	123.8	-177	-56.4	179.3	0	0	0	108.2	P334 V335	I288-P334 HydrophobicContact CG2-CB 4.49Å; I288-V335 HydrophobicContact CG2-CB 4.26Å
289	P	89.7	Confident	89.9	Confident	15 Å²	15	50.5 Å²	50.5	10%	0.097	23%	0.229	C	C	.	.			trans	-64.5	140.8	174.7	29.1	-36.3	0	0	0	110.4	Y279 W281 T292 P334	Y279-P289 HydrophobicContact CD1-CB 3.76Å; Y279-P289 HydrophobicContact CD1-CG 3.73Å; Y279-P289 HydrophobicContact CE1-CG 4.24Å; W281-P289 HydrophobicContact CD2-CB 4.04Å; W281-P289 HydrophobicContact CE3-CB 3.93Å; W281-P289 HydrophobicContact CH2-CB 4.12Å; W281-P289 HydrophobicContact CH2-CG 4.3Å; W281-P289 HydrophobicContact CZ2-CB 4.2Å; W281-P289 HydrophobicContact CZ3-CB 3.99Å; W281-P289 HydrophobicContact CZ3-CG 4.34Å; P289-T292 HydrophobicContact CG-CG2 4.31Å; P289-P334 HydrophobicContact CG-CB 4.26Å; P289-P334 HydrophobicContact CG-CG 3.96Å
290	F	89.3	Confident	89.8	Confident	36 Å²	36	49 Å²	49	16%	0.158	22%	0.223	C	C	.	.	S	Bend	trans	-70	-37.4	-179.8	177.7	-79.9	0	0	0	111.6	H266 V280 D282 F328	H266-F290 AromaticContact CE1-CD1 3.88Å; H266-F290 AromaticContact CE1-CD2 3.81Å; H266-F290 AromaticContact CE1-CE2 3.93Å; H266-F290 AromaticContact CE1-CG 3.79Å; V280-F290 WeakPolarHBondContact O-CA 3.32Å; V280-F290 WeakPolarHBondContact O-CB 3.06Å; V280-F290 PolarHBondContact O-N 3.05Å; D282-F290 HydrophobicContact CB-CB 4.46Å; F290-F328 HydrophobicContact CD1-CE1 4.42Å; F290-F328 AromaticContact CD1-CZ 3.81Å; F290-F328 HydrophobicContact CD1-CZ 3.81Å; F290-F328 AromaticContact CE1-CE1 3.82Å; F290-F328 HydrophobicContact CE1-CE1 3.82Å; F290-F328 AromaticContact CE1-CZ 3.67Å; F290-F328 HydrophobicContact CE1-CZ 3.67Å
291	A	91.5	Very high	89.7	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.008	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	157.2	176.9	0	0	0	0	0	111.3	V280 F328 A331 T332	V280-A291 HydrophobicContact CB-CB 4.45Å; V280-A291 PolarHBondContact N-O 3.42Å; V280-A291 PolarHBondContact O-N 2.89Å; A291-F328 HydrophobicContact CB-CE2 4.17Å; A291-F328 HydrophobicContact CB-CZ 4.07Å; A291-A331 HydrophobicContact CB-CB 3.88Å; A291-T332 CarbonylContact C-O 3.58Å; A291-T332 VanDerWaalsContact CA-O 3.3Å; A291-T332 WeakPolarHBondContact CA-O 3.08Å
292	T	93.1	Very high	89.5	Confident	5 Å²	5	49.8 Å²	49.8	3%	0.031	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	149.1	-178.1	29.3	0	0	0	0	111.6	I278 Y279 P289 A331 T332 P334	I278-T292 WeakPolarHBondContact O-CA 3.47Å; Y279-T292 HydrophobicContact CD1-CG2 3.22Å; Y279-T292 HydrophobicContact CE1-CG2 3.33Å; Y279-T292 HydrophobicContact CG-CG2 4.11Å; P289-T292 HydrophobicContact CG-CG2 4.31Å; T292-A331 CarbonylContact O-C 3.47Å; T292-A331 WeakPolarHBondContact O-CA 3.49Å; T292-T332 WeakPolarHBondContact CB-OG1 3.45Å; T292-T332 PolarHBondContact N-O 2.75Å; T292-T332 PolarHBondContact O-N 2.97Å; T292-T332 PolarHBondContact O-OG1 3.1Å; T292-T332 PolarHBondContact OG1-O 3.17Å; T292-T332 PolarHBondContact OG1-OG1 2.84Å; T292-P334 HydrophobicContact CG2-CG 3.91Å; T292-P334 VanDerWaalsContact OG1-CD 3.31Å; T292-P334 WeakPolarHBondContact OG1-CD 3.33Å; T292-P334 VanDerWaalsContact OG1-CG 3.22Å; T292-P334 WeakPolarHBondContact OG1-CG 3.41Å
293	F	93.8	Very high	89.8	Confident	12 Å²	12	50 Å²	50	5%	0.053	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	119.7	170.5	-55.9	-81.2	0	0	0	108.6	N277 I278 V280 L314 H326 F328 A331	N277-F293 WeakPolarHBondContact CA-O 3.39Å; I278-F293 HydrophobicContact CB-CB 4.3Å; I278-F293 HydrophobicContact CB-CD2 4.16Å; I278-F293 HydrophobicContact CG2-CD2 4.36Å; I278-F293 PolarHBondContact N-O 2.71Å; I278-F293 VanDerWaalsContact N-O 3.1Å; I278-F293 PolarHBondContact O-N 2.83Å; V280-F293 HydrophobicContact CG2-CE2 4Å; F293-L314 HydrophobicContact CD2-CD2 4.13Å; F293-L314 HydrophobicContact CE2-CD2 3.75Å; F293-H326 HydrophobicContact CD1-CB 3.64Å; F293-H326 AromaticContact CD1-CG 3.67Å; F293-H326 AromaticContact CD1-ND1 3.68Å; F293-H326 HydrophobicContact CE1-CB 3.49Å; F293-H326 VanDerWaalsContact CE1-CB 3.49Å; F293-H326 HydrophobicContact CG-CB 4.31Å; F293-H326 HydrophobicContact CZ-CB 4.05Å; F293-F328 HydrophobicContact CZ-CD2 4.18Å; F293-A331 HydrophobicContact CD1-CB 3.94Å; F293-A331 HydrophobicContact CE1-CB 3.37Å; F293-A331 HydrophobicContact CE2-CB 4.4Å; F293-A331 HydrophobicContact CZ-CB 3.65Å
294	E	92.6	Very high	90	Very high	87 Å²	87	51.4 Å²	51.4	41%	0.407	24%	0.24	S	C	.	.			trans	-109	3.9	-167.5	-61.8	170.8	-137.7	0	0	112.5	N277 H296 T332 K337	N277-E294 WeakPolarHBondContact OD1-CA 3.29Å; E294-H296 PolarHBondContact O-N 3.01Å; E294-T332 VanDerWaalsContact OE1-CB 3.28Å; E294-T332 WeakPolarHBondContact OE1-CB 3.1Å; E294-T332 WeakPolarHBondContact OE1-CG2 3.41Å; E294-T332 PolarHBondContact OE1-OG1 3.31Å; E294-K337 IonicContact OE1-NZ 2.69Å; E294-K337 PolarHBondContact OE1-NZ 2.83Å; E294-K337 IonicContact OE2-NZ 3.82Å
295	E	90.4	Very high	90.4	Very high	100 Å²	100	48.7 Å²	48.7	47%	0.467	23%	0.229	S	C	.	.			trans	-74.5	-19.3	-168.2	-52	-58.6	135.3	0	0	116.4	Y324	E295-Y324 HydrophobicContact CB-CD1 4.11Å; E295-Y324 HydrophobicContact CB-CE1 3.51Å; E295-Y324 HydrophobicContact CB-CE2 4.27Å; E295-Y324 HydrophobicContact CG-CD1 4.43Å; E295-Y324 HydrophobicContact CG-CE1 4.03Å; E295-Y324 PolarHBondContact O-OH 3.01Å
296	H	92.9	Very high	90.8	Very high	6 Å²	6	45.9 Å²	45.9	3%	0.028	22%	0.219	C	C	.	.			trans	-83.2	147.5	-178.2	-86.4	-66.5	0	0	0	111.6	H276 E294 T300 S316 S318 D320 T322 Y324	H276-H296 PolarHBondContact ND1-O 2.97Å; E294-H296 PolarHBondContact O-N 3.01Å; H296-T300 HydrophobicContact CB-CG2 3.87Å; H296-T300 WeakPolarHBondContact CD2-CG2 3.48Å; H296-S316 PolarHBondContact CD2-OG 3.17Å; H296-S316 PolarHBondContact NE2-OG 3.13Å; H296-S318 VanDerWaalsContact CE1-CB 3.42Å; H296-S318 WeakPolarHBondContact CE1-CB 3.44Å; H296-S318 WeakPolarHBondContact ND1-CB 3.38Å; H296-D320 WeakPolarHBondContact CA-OD2 3.45Å; H296-D320 IonicContact CG-OD2 3.88Å; H296-D320 IonicContact ND1-OD1 2.8Å; H296-D320 IonicContact ND1-OD2 3.3Å; H296-D320 PolarHBondContact ND1-OD2 2.66Å; H296-T322 PolarHBondContact CE1-OG1 2.98Å; H296-T322 PolarHBondContact ND1-OG1 2.9Å; H296-T322 VanDerWaalsContact ND1-OG1 3.14Å; H296-Y324 AromaticContact CE1-CD2 3.43Å; H296-Y324 VanDerWaalsContact CE1-CD2 3.43Å; H296-Y324 WeakPolarHBondContact CE1-CD2 3.49Å; H296-Y324 AromaticContact CE1-CE2 3.92Å; H296-Y324 AromaticContact ND1-CD2 3.92Å; H296-Y324 AromaticContact ND1-CE2 3.94Å; H296-Y324 AromaticContact NE2-CD2 3.64Å
297	K	91.5	Very high	91.1	Very high	188 Å²	188	47.7 Å²	47.7	82%	0.817	23%	0.225	S	C	*	.	S	Bend	trans	-106.6	-9.3	-176.7	-63.2	-177	-178.6	178.7	0	114.4	D320	K297-D320 HydrophobicContact CB-CB 4.24Å; K297-D320 PolarHBondContact N-OD2 3.23Å
298	D	92.3	Very high	91	Very high	68 Å²	68	43.4 Å²	43.4	36%	0.364	21%	0.207	S	C	.	.	S	Bend	trans	-145.7	172	177.2	-167.5	-3.3	0	0	0	108.7	H276 T300 S318 K319 D320	H276-D298 WeakPolarHBondContact CB-O 3.49Å; D298-T300 PolarHBondContact O-N 3.18Å; D298-S318 PolarHBondContact O-OG 3.44Å; D298-K319 HydrophobicContact CB-CB 4.17Å; D298-K319 WeakPolarHBondContact OD2-CB 3.13Å; D298-D320 HydrophobicContact CB-CB 3.87Å
299	V	91.6	Very high	90.9	Very high	11 Å²	11	45.6 Å²	45.6	7%	0.067	22%	0.215	C	C	.	.			trans	-48.5	122.6	-176.2	178.1	0	0	0	0	112.9	S271 M272 T301 S318 K319	S271-V299 WeakPolarHBondContact O-CG1 3.28Å; M272-V299 WeakPolarHBondContact O-CG1 3.1Å; V299-T301 PolarHBondContact O-N 3.41Å; V299-S318 WeakPolarHBondContact O-CA 3.07Å; V299-S318 PolarHBondContact O-OG 3.1Å; V299-S318 VanDerWaalsContact O-OG 3.06Å; V299-K319 HydrophobicContact CB-CD 4.23Å; V299-K319 PolarHBondContact O-N 2.86Å
300	T	93.3	Very high	90.7	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	108.9	176.2	32.4	0	0	0	0	111.6	C270 H276 I278 H296 D298	C270-T300 WeakPolarHBondContact CB-OG1 3.4Å; C270-T300 PolarHBondContact SG-O 3.43Å; H276-T300 VanDerWaalsContact O-CG2 3.29Å; H276-T300 WeakPolarHBondContact O-CG2 3.37Å; H276-T300 PolarHBondContact O-OG1 2.86Å; I278-T300 HydrophobicContact CD1-CG2 3.99Å; I278-T300 HydrophobicContact CG1-CG2 3.92Å; H296-T300 HydrophobicContact CB-CG2 3.87Å; H296-T300 WeakPolarHBondContact CD2-CG2 3.48Å; D298-T300 PolarHBondContact O-N 3.18Å
301	T	90.9	Very high	90.5	Very high	19 Å²	19	45 Å²	45	12%	0.117	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	-30	-169.1	56.3	0	0	0	0	113.7	A29 N30 R256 V299 G317 K319	A29-T301 WeakPolarHBondContact O-CB 3.41Å; A29-T301 WeakPolarHBondContact O-CG2 3.42Å; A29-T301 PolarHBondContact O-OG1 3.22Å; N30-T301 WeakPolarHBondContact O-CB 3.47Å; R256-T301 PolarHBondContact NE-O 3.13Å; V299-T301 PolarHBondContact O-N 3.41Å; T301-G317 PolarHBondContact N-O 3.27Å; T301-G317 PolarHBondContact OG1-O 2.77Å; T301-K319 HydrophobicContact CG2-CG 3.83Å
302	G	89.9	Confident	90.4	Very high	5 Å²	5	48 Å²	48	5%	0.052	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	135.2	179.5	0	0	0	0	0	111.6	S316 G317	G302-S316 VanDerWaalsContact O-CA 3.29Å; G302-S316 WeakPolarHBondContact O-CA 3.31Å; G302-G317 PolarHBondContact N-O 3.03Å; G302-G317 PolarHBondContact O-N 2.81Å
303	I	95.4	Very high	90.3	Very high	10 Å²	10	48.7 Å²	48.7	5%	0.051	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	139.5	172.9	59.6	176.3	0	0	0	108.8	R256 K258 A268 C270 I278 L315	R256-I303 HydrophobicContact CB-CD1 4.22Å; R256-I303 HydrophobicContact CB-CG1 3.96Å; K258-I303 HydrophobicContact CG-CG1 4.16Å; A268-I303 HydrophobicContact CB-CD1 4.13Å; C270-I303 HydrophobicContact CB-CD1 4.36Å; C270-I303 HydrophobicContact CB-CG2 4.04Å; I278-I303 HydrophobicContact CD1-CG2 3.88Å; I278-I303 HydrophobicContact CG1-CG2 4.23Å; I278-I303 HydrophobicContact CG2-CG2 4.22Å; I303-L315 WeakPolarHBondContact CA-O 3.47Å
304	V	94.6	Very high	90.4	Very high	30 Å²	30	48.2 Å²	48.2	18%	0.182	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	132.8	178.1	63.9	0	0	0	0	111.2	I32 V34 L315	I32-V304 HydrophobicContact CD1-CG1 3.75Å; I32-V304 HydrophobicContact CG1-CG1 3.87Å; V34-V304 HydrophobicContact CG2-CB 4.36Å; V34-V304 HydrophobicContact CG2-CG1 3.49Å; V34-V304 VanDerWaalsContact CG2-CG1 3.49Å; V34-V304 HydrophobicContact CG2-CG2 3.93Å; V304-L315 HydrophobicContact CG1-CB 3.92Å; V304-L315 PolarHBondContact N-O 3.05Å; V304-L315 PolarHBondContact O-N 2.74Å
305	W	93.6	Very high	90.5	Very high	21 Å²	21	44 Å²	44	8%	0.08	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	136.3	173.8	-67.1	99.4	0	0	0	110	K258 W259 R260 P261 A268 V280 H307 P311 L314 F328	K258-W305 PolarHBondContact O-NE1 3.45Å; W259-W305 PolarHBondContact O-NE1 3.18Å; R260-W305 HydrophobicContact CB-CH2 4.28Å; R260-W305 HydrophobicContact CB-CZ2 3.66Å; R260-W305 HydrophobicContact CG-CD2 4.23Å; R260-W305 HydrophobicContact CG-CE3 4.29Å; R260-W305 HydrophobicContact CG-CH2 3.67Å; R260-W305 HydrophobicContact CG-CZ2 3.55Å; R260-W305 HydrophobicContact CG-CZ3 4.03Å; P261-W305 HydrophobicContact CG-CB 4.25Å; P261-W305 HydrophobicContact CG-CG 4.45Å; A268-W305 HydrophobicContact CB-CZ2 3.99Å; V280-W305 HydrophobicContact CG2-CH2 4.39Å; V280-W305 HydrophobicContact CG2-CZ2 4.36Å; W305-H307 VanDerWaalsContact C-N 3.28Å; W305-H307 PolarHBondContact O-N 3.15Å; W305-P311 WeakPolarHBondContact CZ3-O 3.41Å; W305-L314 HydrophobicContact CD2-CD1 3.81Å; W305-L314 HydrophobicContact CE3-CB 4.05Å; W305-L314 HydrophobicContact CE3-CD1 4.15Å; W305-L314 HydrophobicContact CG-CD1 4.14Å; W305-L314 HydrophobicContact CH2-CB 4.38Å; W305-L314 HydrophobicContact CZ2-CD1 4.27Å; W305-L314 HydrophobicContact CZ3-CB 3.95Å; W305-F328 AromaticContact CH2-CD2 3.96Å; W305-F328 HydrophobicContact CH2-CD2 3.96Å; W305-F328 HydrophobicContact CH2-CE2 4.28Å; W305-F328 HydrophobicContact CZ3-CD2 4.32Å
306	R	90	Very high	90.7	Very high	58 Å²	58	39.3 Å²	39.3	22%	0.219	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	-33.5	-168.2	-166.3	-175.7	66.2	152	-0.2	113.8	A38 L54 D310 Y313	A38-R306 HydrophobicContact CB-CG 4.23Å; A38-R306 WeakPolarHBondContact CB-O 3.27Å; L54-R306 HydrophobicContact CD1-CG 4.23Å; R306-D310 IonicContact CZ-OD2 3.04Å; R306-D310 IonicContact NE-OD2 3.92Å; R306-D310 IonicContact NH2-OD2 3.46Å; R306-D310 PolarHBondContact NH2-OD2 3.02Å; R306-Y313 WeakPolarHBondContact CB-O 3.44Å; R306-Y313 PolarHBondContact N-O 3.48Å
307	H	87.3	Confident	90.8	Very high	69 Å²	69	39 Å²	39	32%	0.319	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	148.3	178.2	-176.2	-115	0	0	0	111	A38 P261 W305 H309 D310	A38-H307 HydrophobicContact CB-CB 3.84Å; P261-H307 WeakPolarHBondContact CG-O 3.34Å; W305-H307 VanDerWaalsContact C-N 3.28Å; W305-H307 PolarHBondContact O-N 3.15Å; H307-H309 AromaticContact CE1-CD2 3.89Å; H307-H309 PolarHBondContact ND1-N 2.99Å; H307-H309 PolarHBondContact O-N 3.23Å; H307-D310 HydrophobicContact CB-CB 3.85Å; H307-D310 PolarHBondContact O-N 3.37Å
308	Q	81.9	Confident	90.9	Very high	93 Å²	93	30 Å²	30	44%	0.435	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-8.1	-176.7	-59.6	-174.1	17.8	0	0	114.6	P261	P261-Q308 WeakPolarHBondContact CB-O 3.43Å
309	H	83.2	Confident	90.9	Very high	124 Å²	124	31 Å²	31	57%	0.574	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-125.5	14.4	173.9	-61.8	-67.9	0	0	0	113.4	E262 H307	E262-H309 IonicContact OE1-CE1 3.76Å; E262-H309 IonicContact OE1-CG 2.93Å; E262-H309 IonicContact OE1-ND1 2.77Å; E262-H309 PolarHBondContact OE1-ND1 3.18Å; H307-H309 AromaticContact CE1-CD2 3.89Å; H307-H309 PolarHBondContact ND1-N 2.99Å; H307-H309 PolarHBondContact O-N 3.23Å
310	D	84.8	Confident	91	Very high	25 Å²	25	32.2 Å²	32.2	13%	0.134	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	99.9	178.9	-169.6	-2.6	0	0	0	112	R306 H307 H312 Y313	R306-D310 IonicContact CZ-OD2 3.04Å; R306-D310 IonicContact NE-OD2 3.92Å; R306-D310 IonicContact NH2-OD2 3.46Å; R306-D310 PolarHBondContact NH2-OD2 3.02Å; H307-D310 HydrophobicContact CB-CB 3.85Å; H307-D310 PolarHBondContact O-N 3.37Å; D310-H312 PolarHBondContact O-N 2.72Å; D310-H312 WeakPolarHBondContact OD1-CB 3.19Å; D310-H312 IonicContact OD1-CG 3.49Å; D310-H312 PolarHBondContact OD1-N 2.79Å; D310-H312 IonicContact OD1-ND1 2.86Å; D310-H312 PolarHBondContact OD1-ND1 2.78Å; D310-Y313 VanDerWaalsContact OD2-CD2 3.26Å; D310-Y313 WeakPolarHBondContact OD2-CD2 3.4Å
311	P	86.9	Confident	91	Very high	14 Å²	14	33.5 Å²	33.5	9%	0.091	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	1.9	180	31.5	-35.6	0	0	0	114.2	R260 K263 W305	R260-P311 HydrophobicContact CG-CB 4.22Å; R260-P311 VanDerWaalsContact CZ-O 3.32Å; R260-P311 PolarHBondContact NE-O 3.37Å; R260-P311 PolarHBondContact NH2-O 3.15Å; K263-P311 HydrophobicContact CG-CB 4.21Å; W305-P311 WeakPolarHBondContact CZ3-O 3.41Å
312	H	89	Confident	91.2	Very high	64 Å²	64	33 Å²	33	30%	0.296	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	-21	-169.5	-54.8	93.5	0	0	0	115.1	D310 F328	D310-H312 PolarHBondContact O-N 2.72Å; D310-H312 WeakPolarHBondContact OD1-CB 3.19Å; D310-H312 IonicContact OD1-CG 3.49Å; D310-H312 PolarHBondContact OD1-N 2.79Å; D310-H312 IonicContact OD1-ND1 2.86Å; D310-H312 PolarHBondContact OD1-ND1 2.78Å; H312-F328 WeakPolarHBondContact O-CB 3.25Å; H312-F328 PolarHBondContact O-N 2.85Å
313	Y	91.3	Very high	91.5	Very high	19 Å²	19	32.8 Å²	32.8	8%	0.075	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	124.9	-174.5	-61.6	-91.4	0	0	0	111.7	I16 R306 D310 Q325 H326 M327	I16-Y313 HydrophobicContact CG2-CE2 4.47Å; I16-Y313 WeakPolarHBondContact CG2-OH 3.26Å; R306-Y313 WeakPolarHBondContact CB-O 3.44Å; R306-Y313 PolarHBondContact N-O 3.48Å; D310-Y313 VanDerWaalsContact OD2-CD2 3.26Å; D310-Y313 WeakPolarHBondContact OD2-CD2 3.4Å; Y313-Q325 HydrophobicContact CD1-CG 3.87Å; Y313-H326 WeakPolarHBondContact CA-O 3.49Å; Y313-M327 HydrophobicContact CD1-CE 4.47Å; Y313-M327 HydrophobicContact CE1-CE 3.49Å; Y313-M327 VanDerWaalsContact CE1-CE 3.49Å; Y313-M327 VanDerWaalsContact OH-CE 3.28Å; Y313-M327 WeakPolarHBondContact OH-CE 3.39Å
314	L	94.4	Very high	91.4	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	123.9	176.7	179.3	67.7	0	0	0	108.5	I278 F293 W305 H326	I278-L314 HydrophobicContact CG2-CD2 3.97Å; F293-L314 HydrophobicContact CD2-CD2 4.13Å; F293-L314 HydrophobicContact CE2-CD2 3.75Å; W305-L314 HydrophobicContact CD2-CD1 3.81Å; W305-L314 HydrophobicContact CE3-CB 4.05Å; W305-L314 HydrophobicContact CE3-CD1 4.15Å; W305-L314 HydrophobicContact CG-CD1 4.14Å; W305-L314 HydrophobicContact CH2-CB 4.38Å; W305-L314 HydrophobicContact CZ2-CD1 4.27Å; W305-L314 HydrophobicContact CZ3-CB 3.95Å; L314-H326 HydrophobicContact CB-CB 4.49Å; L314-H326 PolarHBondContact N-O 3.22Å; L314-H326 VanDerWaalsContact N-O 3.07Å; L314-H326 PolarHBondContact O-N 2.92Å
315	L	94.7	Very high	91.4	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	143.1	171.3	-52.7	-170.9	0	0	0	110.1	I32 V34 V41 L54 I303 V304 Y324 Q325	I32-L315 HydrophobicContact CD1-CB 4.04Å; V34-L315 HydrophobicContact CG1-CD1 4.49Å; V34-L315 HydrophobicContact CG2-CD1 3.74Å; V41-L315 HydrophobicContact CB-CD1 3.84Å; V41-L315 HydrophobicContact CG1-CD1 4.35Å; V41-L315 HydrophobicContact CG2-CD1 3.7Å; L54-L315 HydrophobicContact CD1-CD1 4.17Å; L54-L315 HydrophobicContact CD2-CD1 4.46Å; L54-L315 HydrophobicContact CD2-CD2 4.49Å; I303-L315 WeakPolarHBondContact CA-O 3.47Å; V304-L315 HydrophobicContact CG1-CB 3.92Å; V304-L315 PolarHBondContact N-O 3.05Å; V304-L315 PolarHBondContact O-N 2.74Å; L315-Y324 VanDerWaalsContact CA-O 3.29Å; L315-Y324 WeakPolarHBondContact CA-O 3.5Å; L315-Q325 HydrophobicContact CD2-CB 3.44Å; L315-Q325 VanDerWaalsContact CD2-CB 3.44Å; L315-Q325 HydrophobicContact CD2-CG 3.61Å
316	S	95.2	Very high	91.3	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	145.8	172.7	63	0	0	0	0	113.1	I278 H296 G302 L323 Y324 H326	I278-S316 WeakPolarHBondContact CD1-OG 3.33Å; H296-S316 PolarHBondContact CD2-OG 3.17Å; H296-S316 PolarHBondContact NE2-OG 3.13Å; G302-S316 VanDerWaalsContact O-CA 3.29Å; G302-S316 WeakPolarHBondContact O-CA 3.31Å; S316-L323 WeakPolarHBondContact O-CA 3.34Å; S316-Y324 PolarHBondContact N-O 2.99Å; S316-Y324 PolarHBondContact O-N 2.95Å; S316-H326 PolarHBondContact OG-CD2 2.97Å; S316-H326 PolarHBondContact OG-NE2 2.83Å
317	G	94.3	Very high	91.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	147	172.7	0	0	0	0	0	110.4	T301 G302	T301-G317 PolarHBondContact N-O 3.27Å; T301-G317 PolarHBondContact OG1-O 2.77Å; G302-G317 PolarHBondContact N-O 3.03Å; G302-G317 PolarHBondContact O-N 2.81Å
318	S	94.5	Very high	91.5	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	168.5	-177.6	169.6	0	0	0	0	112	A29 H296 D298 V299 D320 S321 T322	A29-S318 PolarHBondContact N-O 2.79Å; H296-S318 VanDerWaalsContact CE1-CB 3.42Å; H296-S318 WeakPolarHBondContact CE1-CB 3.44Å; H296-S318 WeakPolarHBondContact ND1-CB 3.38Å; D298-S318 PolarHBondContact O-OG 3.44Å; V299-S318 WeakPolarHBondContact O-CA 3.07Å; V299-S318 PolarHBondContact O-OG 3.1Å; V299-S318 VanDerWaalsContact O-OG 3.06Å; S318-D320 VanDerWaalsContact CB-OD1 3.27Å; S318-D320 WeakPolarHBondContact CB-OD1 3.48Å; S318-D320 PolarHBondContact O-N 3.21Å; S318-D320 VanDerWaalsContact OG-CG 3.26Å; S318-D320 PolarHBondContact OG-N 3.23Å; S318-D320 PolarHBondContact OG-OD1 2.87Å; S318-D320 PolarHBondContact OG-OD2 2.89Å; S318-S321 PolarHBondContact O-N 3.28Å; S318-T322 PolarHBondContact N-O 2.93Å
319	K	92.2	Very high	91.7	Very high	89 Å²	89	28 Å²	28	39%	0.387	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-21.3	167.9	-68.8	-179.9	-170.2	166.5	0	113.6	P28 D298 V299 T301 S321	P28-K319 WeakPolarHBondContact CG-O 3.42Å; D298-K319 HydrophobicContact CB-CB 4.17Å; D298-K319 WeakPolarHBondContact OD2-CB 3.13Å; V299-K319 HydrophobicContact CB-CD 4.23Å; V299-K319 PolarHBondContact O-N 2.86Å; T301-K319 HydrophobicContact CG2-CG 3.83Å; K319-S321 PolarHBondContact O-N 2.94Å; K319-S321 PolarHBondContact O-OG 2.91Å
320	D	93.3	Very high	91.9	Very high	36 Å²	36	26.4 Å²	26.4	19%	0.193	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	0.9	173.5	64.1	21	0	0	0	113.9	H296 K297 D298 S318 T322	H296-D320 WeakPolarHBondContact CA-OD2 3.45Å; H296-D320 IonicContact CG-OD2 3.88Å; H296-D320 IonicContact ND1-OD1 2.8Å; H296-D320 IonicContact ND1-OD2 3.3Å; H296-D320 PolarHBondContact ND1-OD2 2.66Å; K297-D320 HydrophobicContact CB-CB 4.24Å; K297-D320 PolarHBondContact N-OD2 3.23Å; D298-D320 HydrophobicContact CB-CB 3.87Å; S318-D320 VanDerWaalsContact CB-OD1 3.27Å; S318-D320 WeakPolarHBondContact CB-OD1 3.48Å; S318-D320 PolarHBondContact O-N 3.21Å; S318-D320 VanDerWaalsContact OG-CG 3.26Å; S318-D320 PolarHBondContact OG-N 3.23Å; S318-D320 PolarHBondContact OG-OD1 2.87Å; S318-D320 PolarHBondContact OG-OD2 2.89Å; D320-T322 VanDerWaalsContact C-N 3.3Å; D320-T322 VanDerWaalsContact CG-OG1 3.29Å; D320-T322 PolarHBondContact O-N 2.81Å; D320-T322 VanDerWaalsContact OD1-CB 3.32Å; D320-T322 WeakPolarHBondContact OD1-CB 3.16Å; D320-T322 PolarHBondContact OD1-N 2.82Å; D320-T322 PolarHBondContact OD1-OG1 2.91Å; D320-T322 PolarHBondContact OD2-OG1 2.91Å
321	S	93.8	Very high	92.1	Very high	26 Å²	26	25.6 Å²	25.6	18%	0.182	13%	0.125	C	C	.	.	S	Bend	trans	61.4	37.4	-178.4	-50.3	0	0	0	0	112.4	L25 A27 P28 S318 K319	L25-S321 WeakPolarHBondContact CB-O 3.27Å; L25-S321 PolarHBondContact N-O 3.13Å; A27-S321 VanDerWaalsContact C-OG 3.3Å; P28-S321 VanDerWaalsContact CD-OG 3.28Å; P28-S321 WeakPolarHBondContact CD-OG 3.46Å; P28-S321 VanDerWaalsContact N-OG 3.13Å; S318-S321 PolarHBondContact O-N 3.28Å; K319-S321 PolarHBondContact O-N 2.94Å; K319-S321 PolarHBondContact O-OG 2.91Å
322	T	94.9	Very high	92.2	Very high	9 Å²	9	27 Å²	27	6%	0.055	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	153.1	167	68.4	0	0	0	0	112.2	C23 H296 S318 D320 Y324	C23-T322 WeakPolarHBondContact O-CA 3.46Å; H296-T322 PolarHBondContact CE1-OG1 2.98Å; H296-T322 PolarHBondContact ND1-OG1 2.9Å; H296-T322 VanDerWaalsContact ND1-OG1 3.14Å; S318-T322 PolarHBondContact N-O 2.93Å; D320-T322 VanDerWaalsContact C-N 3.3Å; D320-T322 VanDerWaalsContact CG-OG1 3.29Å; D320-T322 PolarHBondContact O-N 2.81Å; D320-T322 VanDerWaalsContact OD1-CB 3.32Å; D320-T322 WeakPolarHBondContact OD1-CB 3.16Å; D320-T322 PolarHBondContact OD1-N 2.82Å; D320-T322 PolarHBondContact OD1-OG1 2.91Å; D320-T322 PolarHBondContact OD2-OG1 2.91Å; T322-Y324 HydrophobicContact CG2-CE2 4.3Å; T322-Y324 VanDerWaalsContact OG1-CE2 3.31Å; T322-Y324 WeakPolarHBondContact OG1-CE2 3.11Å
323	L	95.4	Very high	92.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	125.7	165.1	173.7	73.8	0	0	0	107.4	F22 C23 L25 I32 V41 V43 Y52 F59 S316	F22-L323 CarbonylContact C-O 3.55Å; F22-L323 WeakPolarHBondContact CA-O 3.46Å; F22-L323 WeakPolarHBondContact CB-O 3.38Å; C23-L323 PolarHBondContact N-O 2.79Å; C23-L323 PolarHBondContact O-N 2.87Å; L25-L323 HydrophobicContact CD1-CB 4.23Å; L25-L323 HydrophobicContact CD2-CB 3.99Å; L25-L323 HydrophobicContact CG-CB 4.29Å; I32-L323 HydrophobicContact CD1-CD1 4.5Å; I32-L323 HydrophobicContact CG2-CD1 4.16Å; V41-L323 HydrophobicContact CG1-CD2 3.97Å; V43-L323 HydrophobicContact CG2-CD1 4.06Å; V43-L323 HydrophobicContact CG2-CD2 3.86Å; V43-L323 HydrophobicContact CG2-CG 4.48Å; Y52-L323 HydrophobicContact CD2-CD2 4.28Å; F59-L323 HydrophobicContact CD1-CD2 3.52Å; F59-L323 HydrophobicContact CD1-CG 4.35Å; F59-L323 HydrophobicContact CE1-CD2 3.33Å; F59-L323 HydrophobicContact CE1-CG 3.75Å; F59-L323 HydrophobicContact CG-CD2 4.29Å; F59-L323 HydrophobicContact CZ-CD2 3.98Å; F59-L323 HydrophobicContact CZ-CG 3.9Å; S316-L323 WeakPolarHBondContact O-CA 3.34Å
324	Y	94.6	Very high	91.9	Very high	22 Å²	22	29.5 Å²	29.5	9%	0.086	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	147.5	175.9	-80.7	-100.6	0	0	0	111.3	T20 M21 F22 E295 H296 L315 S316 T322 H326	T20-Y324 HydrophobicContact CG2-CD1 4.39Å; M21-Y324 WeakPolarHBondContact O-CA 3.46Å; F22-Y324 HydrophobicContact CB-CD1 3.56Å; F22-Y324 HydrophobicContact CB-CD2 4.06Å; F22-Y324 HydrophobicContact CB-CE1 3.58Å; F22-Y324 HydrophobicContact CB-CE2 4.13Å; F22-Y324 HydrophobicContact CB-CG 3.8Å; F22-Y324 HydrophobicContact CD1-CE1 4.11Å; F22-Y324 HydrophobicContact CG-CD1 4.45Å; F22-Y324 AromaticContact CG-CE1 3.99Å; F22-Y324 HydrophobicContact CG-CE1 3.99Å; E295-Y324 HydrophobicContact CB-CD1 4.11Å; E295-Y324 HydrophobicContact CB-CE1 3.51Å; E295-Y324 HydrophobicContact CB-CE2 4.27Å; E295-Y324 HydrophobicContact CG-CD1 4.43Å; E295-Y324 HydrophobicContact CG-CE1 4.03Å; E295-Y324 PolarHBondContact O-OH 3.01Å; H296-Y324 AromaticContact CE1-CD2 3.43Å; H296-Y324 VanDerWaalsContact CE1-CD2 3.43Å; H296-Y324 WeakPolarHBondContact CE1-CD2 3.49Å; H296-Y324 AromaticContact CE1-CE2 3.92Å; H296-Y324 AromaticContact ND1-CD2 3.92Å; H296-Y324 AromaticContact ND1-CE2 3.94Å; H296-Y324 AromaticContact NE2-CD2 3.64Å; L315-Y324 VanDerWaalsContact CA-O 3.29Å; L315-Y324 WeakPolarHBondContact CA-O 3.5Å; S316-Y324 PolarHBondContact N-O 2.99Å; S316-Y324 PolarHBondContact O-N 2.95Å; T322-Y324 HydrophobicContact CG2-CE2 4.3Å; T322-Y324 VanDerWaalsContact OG1-CE2 3.31Å; T322-Y324 WeakPolarHBondContact OG1-CE2 3.11Å; Y324-H326 VanDerWaalsContact CB-NE2 3.35Å; Y324-H326 WeakPolarHBondContact CB-NE2 3.06Å; Y324-H326 AromaticContact CD1-CE1 3.74Å; Y324-H326 AromaticContact CG-CE1 3.73Å; Y324-H326 AromaticContact CG-NE2 3.95Å
325	Q	93.7	Very high	91.3	Very high	6 Å²	6	31.1 Å²	31.1	3%	0.028	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	104.2	156.6	173.1	176.4	-106.8	0	0	107	T20 M21 F59 Y313 L315	T20-Q325 VanDerWaalsContact CA-O 3.3Å; T20-Q325 WeakPolarHBondContact CA-O 3.48Å; M21-Q325 HydrophobicContact CG-CB 3.77Å; M21-Q325 HydrophobicContact CG-CG 4.43Å; M21-Q325 PolarHBondContact N-O 2.84Å; M21-Q325 PolarHBondContact O-N 2.83Å; M21-Q325 HydrophobicContact SD-CB 4.48Å; M21-Q325 PolarHBondContact SD-NE2 2.86Å; M21-Q325 VanDerWaalsContact SD-NE2 3.37Å; F59-Q325 HydrophobicContact CE2-CB 4.36Å; F59-Q325 HydrophobicContact CZ-CB 3.79Å; Y313-Q325 HydrophobicContact CD1-CG 3.87Å; L315-Q325 HydrophobicContact CD2-CB 3.44Å; L315-Q325 VanDerWaalsContact CD2-CB 3.44Å; L315-Q325 HydrophobicContact CD2-CG 3.61Å
326	H	92.6	Very high	90.6	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	132.3	177.7	-59.5	-73.9	0	0	0	111.1	F293 Y313 L314 S316 Y324	F293-H326 HydrophobicContact CD1-CB 3.64Å; F293-H326 AromaticContact CD1-CG 3.67Å; F293-H326 AromaticContact CD1-ND1 3.68Å; F293-H326 HydrophobicContact CE1-CB 3.49Å; F293-H326 VanDerWaalsContact CE1-CB 3.49Å; F293-H326 HydrophobicContact CG-CB 4.31Å; F293-H326 HydrophobicContact CZ-CB 4.05Å; Y313-H326 WeakPolarHBondContact CA-O 3.49Å; L314-H326 HydrophobicContact CB-CB 4.49Å; L314-H326 PolarHBondContact N-O 3.22Å; L314-H326 VanDerWaalsContact N-O 3.07Å; L314-H326 PolarHBondContact O-N 2.92Å; S316-H326 PolarHBondContact OG-CD2 2.97Å; S316-H326 PolarHBondContact OG-NE2 2.83Å; Y324-H326 VanDerWaalsContact CB-NE2 3.35Å; Y324-H326 WeakPolarHBondContact CB-NE2 3.06Å; Y324-H326 AromaticContact CD1-CE1 3.74Å; Y324-H326 AromaticContact CG-CE1 3.73Å; Y324-H326 AromaticContact CG-NE2 3.95Å
327	M	90.8	Very high	89.9	Confident	6 Å²	6	42.2 Å²	42.2	3%	0.03	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	126.4	163.9	179.1	166.2	-63.9	0	0	110.1	I16 G18 T20 Y313 K329 D330	I16-M327 HydrophobicContact CG2-CE 3.68Å; I16-M327 HydrophobicContact CG2-SD 4.37Å; G18-M327 VanDerWaalsContact C-CE 3.43Å; G18-M327 WeakPolarHBondContact O-CE 3.16Å; T20-M327 PolarHBondContact OG1-N 3.06Å; Y313-M327 HydrophobicContact CD1-CE 4.47Å; Y313-M327 HydrophobicContact CE1-CE 3.49Å; Y313-M327 VanDerWaalsContact CE1-CE 3.49Å; Y313-M327 VanDerWaalsContact OH-CE 3.28Å; Y313-M327 WeakPolarHBondContact OH-CE 3.39Å; M327-K329 HydrophobicContact CG-CB 4.02Å; M327-K329 HydrophobicContact CG-CG 4.23Å; M327-K329 PolarHBondContact O-N 3.38Å; M327-K329 HydrophobicContact SD-CB 4.18Å; M327-K329 HydrophobicContact SD-CD 3.9Å; M327-K329 HydrophobicContact SD-CG 4.17Å; M327-D330 PolarHBondContact O-N 3.21Å
328	F	89.6	Confident	89.1	Confident	19 Å²	19	44 Å²	44	8%	0.083	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-13.4	-178.5	-168	-89	0	0	0	114.8	R260 V280 F290 A291 F293 W305 H312	R260-F328 VanDerWaalsContact NH1-CE1 3.28Å; R260-F328 VanDerWaalsContact NH2-CE1 3.29Å; V280-F328 HydrophobicContact CB-CE2 4.19Å; V280-F328 HydrophobicContact CG1-CE2 4.02Å; V280-F328 HydrophobicContact CG2-CE2 4.14Å; F290-F328 HydrophobicContact CD1-CE1 4.42Å; F290-F328 AromaticContact CD1-CZ 3.81Å; F290-F328 HydrophobicContact CD1-CZ 3.81Å; F290-F328 AromaticContact CE1-CE1 3.82Å; F290-F328 HydrophobicContact CE1-CE1 3.82Å; F290-F328 AromaticContact CE1-CZ 3.67Å; F290-F328 HydrophobicContact CE1-CZ 3.67Å; A291-F328 HydrophobicContact CB-CE2 4.17Å; A291-F328 HydrophobicContact CB-CZ 4.07Å; F293-F328 HydrophobicContact CZ-CD2 4.18Å; W305-F328 AromaticContact CH2-CD2 3.96Å; W305-F328 HydrophobicContact CH2-CD2 3.96Å; W305-F328 HydrophobicContact CH2-CE2 4.28Å; W305-F328 HydrophobicContact CZ3-CD2 4.32Å; H312-F328 WeakPolarHBondContact O-CB 3.25Å; H312-F328 PolarHBondContact O-N 2.85Å
329	K	86.7	Confident	88.4	Confident	126 Å²	126	49.9 Å²	49.9	55%	0.548	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-31.1	172.4	-64.5	-178.1	-175.9	169.4	0	112.8	M327 A331	M327-K329 HydrophobicContact CG-CB 4.02Å; M327-K329 HydrophobicContact CG-CG 4.23Å; M327-K329 PolarHBondContact O-N 3.38Å; M327-K329 HydrophobicContact SD-CB 4.18Å; M327-K329 HydrophobicContact SD-CD 3.9Å; M327-K329 HydrophobicContact SD-CG 4.17Å; K329-A331 VanDerWaalsContact C-N 3.31Å
330	D	86.5	Confident	87.8	Confident	92 Å²	92	46.7 Å²	46.7	49%	0.492	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-15.7	-174	-51.3	-7.1	0	0	0	111	T20 M327 T332	T20-D330 VanDerWaalsContact CB-OD2 3.31Å; T20-D330 WeakPolarHBondContact CB-OD2 3.49Å; T20-D330 PolarHBondContact N-OD2 3.35Å; T20-D330 PolarHBondContact OG1-OD2 3.34Å; M327-D330 PolarHBondContact O-N 3.21Å; D330-T332 PolarHBondContact O-N 3.07Å
331	A	89.2	Confident	87.4	Confident	8 Å²	8	49.7 Å²	49.7	7%	0.066	26%	0.255	C	S	.	.	S	Bend	trans	-55	131.5	179	0	0	0	0	0	112.2	A291 T292 F293 K329	A291-A331 HydrophobicContact CB-CB 3.88Å; T292-A331 CarbonylContact O-C 3.47Å; T292-A331 WeakPolarHBondContact O-CA 3.49Å; F293-A331 HydrophobicContact CD1-CB 3.94Å; F293-A331 HydrophobicContact CE1-CB 3.37Å; F293-A331 HydrophobicContact CE2-CB 4.4Å; F293-A331 HydrophobicContact CZ-CB 3.65Å; K329-A331 VanDerWaalsContact C-N 3.31Å
332	T	89.9	Confident	87	Confident	44 Å²	44	50.3 Å²	50.3	27%	0.27	27%	0.265	S	S	.	.	B	Isolated β-bridge	trans	-65.6	151	173.3	57.5	0	0	0	0	110	A291 T292 E294 D330	A291-T332 CarbonylContact C-O 3.58Å; A291-T332 VanDerWaalsContact CA-O 3.3Å; A291-T332 WeakPolarHBondContact CA-O 3.08Å; T292-T332 WeakPolarHBondContact CB-OG1 3.45Å; T292-T332 PolarHBondContact N-O 2.75Å; T292-T332 PolarHBondContact O-N 2.97Å; T292-T332 PolarHBondContact O-OG1 3.1Å; T292-T332 PolarHBondContact OG1-O 3.17Å; T292-T332 PolarHBondContact OG1-OG1 2.84Å; E294-T332 VanDerWaalsContact OE1-CB 3.28Å; E294-T332 WeakPolarHBondContact OE1-CB 3.1Å; E294-T332 WeakPolarHBondContact OE1-CG2 3.41Å; E294-T332 PolarHBondContact OE1-OG1 3.31Å; D330-T332 PolarHBondContact O-N 3.07Å
333	R	88.3	Confident	86.7	Confident	97 Å²	97	55.3 Å²	55.3	37%	0.366	29%	0.291	S	S	.	.			trans	-121.2	100.7	-176.9	-70.6	177.2	176.8	-152.8	3.3	109.8	V335 D336	R333-V335 PolarHBondContact O-N 3.32Å; R333-D336 HydrophobicContact CB-CB 4.09Å; R333-D336 VanDerWaalsContact CB-OD2 3.24Å; R333-D336 WeakPolarHBondContact CB-OD2 3.28Å; R333-D336 WeakPolarHBondContact CD-OD2 3.39Å; R333-D336 PolarHBondContact O-N 3.16Å
334	P	86.1	Confident	86.1	Confident	37 Å²	37	59.1 Å²	59.1	24%	0.24	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-63.4	-26.3	-175.9	-30.9	42.3	0	0	0	113.8	I288 P289 T292 D336 K337 A338	I288-P334 HydrophobicContact CG2-CB 4.49Å; P289-P334 HydrophobicContact CG-CB 4.26Å; P289-P334 HydrophobicContact CG-CG 3.96Å; T292-P334 HydrophobicContact CG2-CG 3.91Å; T292-P334 VanDerWaalsContact OG1-CD 3.31Å; T292-P334 WeakPolarHBondContact OG1-CD 3.33Å; T292-P334 VanDerWaalsContact OG1-CG 3.22Å; T292-P334 WeakPolarHBondContact OG1-CG 3.41Å; P334-D336 VanDerWaalsContact C-N 3.32Å; P334-D336 PolarHBondContact O-N 3.04Å; P334-K337 PolarHBondContact O-N 2.84Å; P334-A338 PolarHBondContact O-N 3.03Å
335	V	82.1	Confident	85.6	Confident	36 Å²	36	64.6 Å²	64.6	22%	0.218	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-64.4	-33.2	171.9	69.5	0	0	0	0	112.8	I288 R333 K337 A338 A391 V393	I288-V335 HydrophobicContact CG2-CB 4.26Å; R333-V335 PolarHBondContact O-N 3.32Å; V335-K337 PolarHBondContact O-N 3.19Å; V335-A338 VanDerWaalsContact O-CB 3.28Å; V335-A338 WeakPolarHBondContact O-CB 3.36Å; V335-A338 PolarHBondContact O-N 3.02Å; V335-A338 VanDerWaalsContact O-N 3.17Å; V335-A391 HydrophobicContact CG1-CB 4.2Å; V335-V393 HydrophobicContact CG2-CG2 4.41Å; V335-V393 VanDerWaalsContact O-CG2 3.26Å; V335-V393 WeakPolarHBondContact O-CG2 3.21Å
336	D	79.4	Confident	84.6	Confident	90 Å²	90	66 Å²	66	48%	0.481	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-76.8	-14.1	178.6	-59.1	-15.2	0	0	0	111.8	R333 P334 A391	R333-D336 HydrophobicContact CB-CB 4.09Å; R333-D336 VanDerWaalsContact CB-OD2 3.24Å; R333-D336 WeakPolarHBondContact CB-OD2 3.28Å; R333-D336 WeakPolarHBondContact CD-OD2 3.39Å; R333-D336 PolarHBondContact O-N 3.16Å; P334-D336 VanDerWaalsContact C-N 3.32Å; P334-D336 PolarHBondContact O-N 3.04Å; D336-A391 WeakPolarHBondContact OD1-CB 3.24Å
337	K	79.3	Confident	83.4	Confident	142 Å²	142	69.1 Å²	69.1	62%	0.617	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-92.8	-3	170.6	-61.9	178	-179.8	172.4	0	112.8	E294 P334 V335	E294-K337 IonicContact OE1-NZ 2.69Å; E294-K337 PolarHBondContact OE1-NZ 2.83Å; E294-K337 IonicContact OE2-NZ 3.82Å; P334-K337 PolarHBondContact O-N 2.84Å; V335-K337 PolarHBondContact O-N 3.19Å
338	A	79.1	Confident	82.3	Confident	39 Å²	39	73.3 Å²	73.3	32%	0.322	39%	0.394	S	S	.	.	S	Bend	trans	-76.2	135.2	-175.7	0	0	0	0	0	111.6	P334 V335 P340	P334-A338 PolarHBondContact O-N 3.03Å; V335-A338 VanDerWaalsContact O-CB 3.28Å; V335-A338 WeakPolarHBondContact O-CB 3.36Å; V335-A338 PolarHBondContact O-N 3.02Å; V335-A338 VanDerWaalsContact O-N 3.17Å; A338-P340 VanDerWaalsContact O-CD 3.28Å; A338-P340 WeakPolarHBondContact O-CD 3.38Å
339	N	79.8	Confident	81.4	Confident	122 Å²	122	74.3 Å²	74.3	65%	0.652	41%	0.411	S	S	*	.			trans	-69.7	119.9	-179.1	-175.9	17.6	0	0	0	111.6	E341	N339-E341 VanDerWaalsContact C-N 3.33Å; N339-E341 PolarHBondContact ND2-O 2.76Å; N339-E341 WeakPolarHBondContact OD1-CB 3.2Å; N339-E341 PolarHBondContact OD1-N 3.27Å
340	P	79.1	Confident	81	Confident	23 Å²	23	70.7 Å²	70.7	15%	0.149	40%	0.397	C	S	.	.			trans	-80.4	-11.9	172.1	30.2	-31.1	0	0	0	113.7	A338 N356 V393 S395	A338-P340 VanDerWaalsContact O-CD 3.28Å; A338-P340 WeakPolarHBondContact O-CD 3.38Å; P340-N356 HydrophobicContact CB-CB 4.03Å; P340-N356 HydrophobicContact CG-CB 3.61Å; P340-V393 HydrophobicContact CB-CG1 3.66Å; P340-V393 HydrophobicContact CG-CG1 4.41Å; P340-S395 WeakPolarHBondContact CA-OG 3.38Å; P340-S395 WeakPolarHBondContact CB-OG 3.4Å; P340-S395 WeakPolarHBondContact O-CB 3.18Å; P340-S395 PolarHBondContact O-OG 3.24Å
341	E	83.9	Confident	80.8	Confident	98 Å²	98	68.6 Å²	68.6	46%	0.458	39%	0.386	S	S	.	.			trans	-98.3	144.5	-166.7	-47.4	-169.1	162.6	0	0	112.2	N339 A354	N339-E341 VanDerWaalsContact C-N 3.33Å; N339-E341 PolarHBondContact ND2-O 2.76Å; N339-E341 WeakPolarHBondContact OD1-CB 3.2Å; N339-E341 PolarHBondContact OD1-N 3.27Å; E341-A354 VanDerWaalsContact CA-O 3.27Å; E341-A354 WeakPolarHBondContact CA-O 3.32Å
342	G	85.6	Confident	80.5	Confident	39 Å²	39	69.4 Å²	69.4	40%	0.402	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	155.3	-179.9	0	0	0	0	0	112.9	F353 A354	G342-F353 CarbonylContact O-C 3.53Å; G342-F353 WeakPolarHBondContact O-CA 3.5Å; G342-A354 PolarHBondContact N-O 2.85Å; G342-A354 PolarHBondContact O-N 3.2Å
343	L	88.3	Confident	80.3	Confident	115 Å²	115	70.2 Å²	70.2	60%	0.602	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.5	137.2	-178.1	-165.4	69.3	0	0	0	109.3	F345 L351 F353	L343-F345 HydrophobicContact CD2-CE2 3.92Å; L343-F345 HydrophobicContact CD2-CZ 4.42Å; L343-F345 HydrophobicContact CG-CE2 4.29Å; L343-L351 HydrophobicContact CD1-CD1 3.52Å; L343-L351 HydrophobicContact CD1-CD2 4.41Å; L343-L351 HydrophobicContact CD1-CG 4.15Å; L343-L351 HydrophobicContact CG-CD1 3.91Å; L343-F353 HydrophobicContact CD1-CB 3.66Å
344	C	84.3	Confident	80.1	Confident	79 Å²	79	66.8 Å²	66.8	53%	0.534	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	130.3	178	-174	0	0	0	0	110.5	A352	C344-A352 HydrophobicContact CB-CB 4.44Å; C344-A352 PolarHBondContact N-O 3.35Å; C344-A352 PolarHBondContact O-N 3.35Å
345	F	82.6	Confident	80	Confident	137 Å²	137	66.6 Å²	66.6	60%	0.601	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.8	129.1	172.8	-69.3	-92.8	0	0	0	109.8	L343 D350 L351	L343-F345 HydrophobicContact CD2-CE2 3.92Å; L343-F345 HydrophobicContact CD2-CZ 4.42Å; L343-F345 HydrophobicContact CG-CE2 4.29Å; F345-D350 CarbonylContact C-O 3.38Å; F345-D350 WeakPolarHBondContact CA-O 3.4Å; F345-L351 HydrophobicContact CD1-CD1 3.76Å; F345-L351 HydrophobicContact CD2-CD1 4.09Å; F345-L351 HydrophobicContact CE1-CD1 3.57Å; F345-L351 HydrophobicContact CE1-CD2 4.21Å; F345-L351 HydrophobicContact CE1-CG 4.32Å; F345-L351 HydrophobicContact CE2-CD1 3.91Å; F345-L351 HydrophobicContact CG-CD1 4.02Å; F345-L351 HydrophobicContact CZ-CD1 3.65Å; F345-L351 HydrophobicContact CZ-CD2 4.37Å
346	G	74.3	Confident	79.8	Confident	36 Å²	36	67.1 Å²	67.1	37%	0.371	38%	0.384	S	S	.	.			trans	-79.4	159	172.1	0	0	0	0	0	112.2	M348 G349 D350	G346-M348 PolarHBondContact O-N 2.8Å; G346-M348 VanDerWaalsContact O-N 3.1Å; G346-G349 PolarHBondContact O-N 3.17Å; G346-D350 PolarHBondContact N-O 2.88Å
347	L	67	Low	79.5	Confident	66 Å²	66	67.5 Å²	67.5	35%	0.346	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-26.3	-177.5	-169.2	71.6	0	0	0	113.9	R679 F680	L347-R679 HydrophobicContact CD1-CB 4.01Å; L347-R679 HydrophobicContact CD2-CB 3.9Å; L347-R679 VanDerWaalsContact CD2-O 3.24Å; L347-R679 WeakPolarHBondContact CD2-O 3.42Å; L347-F680 HydrophobicContact CD1-CD2 4.42Å; L347-F680 HydrophobicContact CD1-CE2 3.82Å; L347-F680 HydrophobicContact CD1-CZ 3.92Å; L347-F680 HydrophobicContact CD2-CD1 3.63Å; L347-F680 HydrophobicContact CD2-CD2 4.01Å; L347-F680 HydrophobicContact CD2-CE1 3.53Å; L347-F680 HydrophobicContact CD2-CE2 3.92Å; L347-F680 HydrophobicContact CD2-CG 3.86Å; L347-F680 HydrophobicContact CD2-CZ 3.67Å; L347-F680 HydrophobicContact CG-CD1 4.43Å; L347-F680 HydrophobicContact CG-CE1 3.85Å; L347-F680 HydrophobicContact CG-CE2 3.95Å; L347-F680 HydrophobicContact CG-CZ 3.56Å
348	M	68.3	Low	79	Confident	94 Å²	94	64.2 Å²	64.2	46%	0.463	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	2.6	-179.7	-65	-67.3	179.6	0	0	113.8	G346 F680	G346-M348 PolarHBondContact O-N 2.8Å; G346-M348 VanDerWaalsContact O-N 3.1Å; M348-F680 HydrophobicContact CE-CE1 4.16Å
349	G	70.9	Confident	78.3	Confident	41 Å²	41	66.6 Å²	66.6	42%	0.423	39%	0.385	S	S	.	.	S	Bend	trans	103.5	-13.2	-176.5	0	0	0	0	0	114.6	G346 T402	G346-G349 PolarHBondContact O-N 3.17Å; G349-T402 PolarHBondContact O-OG1 3.11Å
350	D	77.3	Confident	77.5	Confident	50 Å²	50	63.3 Å²	63.3	27%	0.267	37%	0.369	S	S	.	.			trans	-61.3	138.8	-172.7	-50.2	-50	0	0	0	112	F345 G346 F400 T402	F345-D350 CarbonylContact C-O 3.38Å; F345-D350 WeakPolarHBondContact CA-O 3.4Å; G346-D350 PolarHBondContact N-O 2.88Å; D350-F400 CarbonylContact C-O 3.53Å; D350-F400 WeakPolarHBondContact CA-O 3.27Å; D350-T402 WeakPolarHBondContact CA-OG1 3.46Å; D350-T402 PolarHBondContact N-OG1 3.11Å; D350-T402 VanDerWaalsContact N-OG1 3.08Å; D350-T402 PolarHBondContact OD1-N 3.31Å; D350-T402 PolarHBondContact OD1-OG1 2.97Å
351	L	82.1	Confident	76.5	Confident	47 Å²	47	66.2 Å²	66.2	25%	0.246	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	105.3	-174.6	-175.4	54.5	0	0	0	111.6	L343 F345 V399 F400	L343-L351 HydrophobicContact CD1-CD1 3.52Å; L343-L351 HydrophobicContact CD1-CD2 4.41Å; L343-L351 HydrophobicContact CD1-CG 4.15Å; L343-L351 HydrophobicContact CG-CD1 3.91Å; F345-L351 HydrophobicContact CD1-CD1 3.76Å; F345-L351 HydrophobicContact CD2-CD1 4.09Å; F345-L351 HydrophobicContact CE1-CD1 3.57Å; F345-L351 HydrophobicContact CE1-CD2 4.21Å; F345-L351 HydrophobicContact CE1-CG 4.32Å; F345-L351 HydrophobicContact CE2-CD1 3.91Å; F345-L351 HydrophobicContact CG-CD1 4.02Å; F345-L351 HydrophobicContact CZ-CD1 3.65Å; F345-L351 HydrophobicContact CZ-CD2 4.37Å; L351-V399 WeakPolarHBondContact O-CA 3.42Å; L351-F400 HydrophobicContact CB-CB 4.4Å; L351-F400 PolarHBondContact N-O 2.77Å; L351-F400 PolarHBondContact O-N 3.1Å
352	A	83.4	Confident	75.1	Confident	26 Å²	26	66.2 Å²	66.2	22%	0.215	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	130.1	170.5	0	0	0	0	0	110.1	C344 L397 V399	C344-A352 HydrophobicContact CB-CB 4.44Å; C344-A352 PolarHBondContact N-O 3.35Å; C344-A352 PolarHBondContact O-N 3.35Å; A352-L397 HydrophobicContact CB-CD1 4.44Å; A352-V399 HydrophobicContact CB-CG2 4.15Å
353	F	85.1	Confident	73.3	Confident	61 Å²	61	67.8 Å²	67.8	27%	0.268	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	140	176.1	78.3	-70.2	0	0	0	111.6	G342 L343 V355 S398 F400	G342-F353 CarbonylContact O-C 3.53Å; G342-F353 WeakPolarHBondContact O-CA 3.5Å; L343-F353 HydrophobicContact CD1-CB 3.66Å; F353-V355 HydrophobicContact CD2-CG2 3.52Å; F353-V355 HydrophobicContact CE2-CG2 3.64Å; F353-S398 WeakPolarHBondContact CD1-O 3.11Å; F353-S398 PolarHBondContact N-O 3.41Å; F353-S398 PolarHBondContact O-N 2.91Å; F353-F400 HydrophobicContact CD1-CD2 4.15Å; F353-F400 AromaticContact CD1-CE2 3.84Å; F353-F400 HydrophobicContact CD1-CE2 3.84Å; F353-F400 AromaticContact CE1-CD2 3.94Å; F353-F400 HydrophobicContact CE1-CD2 3.94Å; F353-F400 AromaticContact CE1-CE2 3.27Å; F353-F400 HydrophobicContact CE1-CE2 3.27Å; F353-F400 AromaticContact CE1-CZ 3.89Å; F353-F400 HydrophobicContact CE1-CZ 3.89Å; F353-F400 HydrophobicContact CZ-CE2 4.02Å; F353-F400 HydrophobicContact CZ-CZ 4.36Å
354	A	84.7	Confident	71.4	Confident	25 Å²	25	66.9 Å²	66.9	21%	0.207	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	134.8	177.1	0	0	0	0	0	109.3	E341 G342 A396 L397	E341-A354 VanDerWaalsContact CA-O 3.27Å; E341-A354 WeakPolarHBondContact CA-O 3.32Å; G342-A354 PolarHBondContact N-O 2.85Å; G342-A354 PolarHBondContact O-N 3.2Å; A354-A396 WeakPolarHBondContact CA-O 3.24Å; A354-L397 HydrophobicContact CB-CD1 4.44Å
355	V	82.6	Confident	69.6	Low	32 Å²	32	66.8 Å²	66.8	19%	0.194	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	148.9	179.8	-177.5	0	0	0	0	109.6	F353 E357 L359 V360 S395 A396	F353-V355 HydrophobicContact CD2-CG2 3.52Å; F353-V355 HydrophobicContact CE2-CG2 3.64Å; V355-E357 PolarHBondContact O-N 3.43Å; V355-L359 HydrophobicContact CG1-CB 4.15Å; V355-L359 HydrophobicContact CG1-CD1 3.97Å; V355-V360 HydrophobicContact CB-CG2 4.39Å; V355-V360 HydrophobicContact CG1-CG2 4.44Å; V355-S395 CarbonylContact O-C 3.59Å; V355-S395 VanDerWaalsContact O-CA 3.22Å; V355-S395 WeakPolarHBondContact O-CA 3.1Å; V355-A396 PolarHBondContact N-O 2.84Å; V355-A396 PolarHBondContact O-N 2.82Å
356	N	78.4	Confident	67.7	Low	47 Å²	47	68.4 Å²	68.4	25%	0.251	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-49.2	125.7	173.8	-168	-36.1	0	0	0	111.9	P340 S358 L359 V360	P340-N356 HydrophobicContact CB-CB 4.03Å; P340-N356 HydrophobicContact CG-CB 3.61Å; N356-S358 PolarHBondContact ND2-OG 3.18Å; N356-S358 PolarHBondContact O-N 2.64Å; N356-S358 VanDerWaalsContact O-N 3.13Å; N356-S358 WeakPolarHBondContact OD1-CB 3.31Å; N356-S358 PolarHBondContact OD1-N 3.35Å; N356-S358 PolarHBondContact OD1-OG 3.46Å; N356-L359 HydrophobicContact CB-CD1 4.1Å; N356-L359 HydrophobicContact CB-CG 4.16Å; N356-L359 PolarHBondContact O-N 3.35Å; N356-V360 PolarHBondContact O-N 3.01Å
357	E	72.9	Confident	66.2	Low	99 Å²	99	75.7 Å²	75.7	46%	0.463	45%	0.445	S	S	.	.	H	α-helix	trans	-59.6	-27.1	-177.8	-171.5	173.9	-153.7	0	0	112.7	V355 L359 V360 S361 S394	V355-E357 PolarHBondContact O-N 3.43Å; E357-L359 PolarHBondContact O-N 2.8Å; E357-V360 PolarHBondContact O-N 2.97Å; E357-S361 WeakPolarHBondContact O-CB 3.48Å; E357-S361 PolarHBondContact O-N 3.49Å; E357-S361 PolarHBondContact O-OG 2.93Å; E357-S394 WeakPolarHBondContact CB-OG 3.49Å; E357-S394 PolarHBondContact N-O 3.07Å; E357-S394 WeakPolarHBondContact OE2-CB 3.43Å; E357-S394 PolarHBondContact OE2-OG 3.08Å
358	S	68.9	Low	65.2	Low	72 Å²	72	77.4 Å²	77.4	50%	0.503	46%	0.46	S	S	.	.	H	α-helix	trans	-65.7	-34.3	174.9	63.4	0	0	0	0	113.5	N356 S361 S362	N356-S358 PolarHBondContact ND2-OG 3.18Å; N356-S358 PolarHBondContact O-N 2.64Å; N356-S358 VanDerWaalsContact O-N 3.13Å; N356-S358 WeakPolarHBondContact OD1-CB 3.31Å; N356-S358 PolarHBondContact OD1-N 3.35Å; N356-S358 PolarHBondContact OD1-OG 3.46Å; S358-S361 WeakPolarHBondContact O-CB 3.45Å; S358-S361 PolarHBondContact O-N 2.86Å; S358-S362 PolarHBondContact O-OG 2.75Å
359	L	65.4	Low	64	Low	90 Å²	90	80.4 Å²	80.4	47%	0.471	47%	0.467	S	S	.	.	H	α-helix	trans	-73.4	-38	176.4	-62.5	175.7	0	0	0	111.6	V355 N356 E357 S361 S362	V355-L359 HydrophobicContact CG1-CB 4.15Å; V355-L359 HydrophobicContact CG1-CD1 3.97Å; N356-L359 HydrophobicContact CB-CD1 4.1Å; N356-L359 HydrophobicContact CB-CG 4.16Å; N356-L359 PolarHBondContact O-N 3.35Å; E357-L359 PolarHBondContact O-N 2.8Å; L359-S361 VanDerWaalsContact C-N 3.31Å; L359-S362 PolarHBondContact O-N 3.28Å; L359-S362 PolarHBondContact O-OG 2.91Å
360	V	63.3	Low	62.4	Low	52 Å²	52	85.2 Å²	85.2	32%	0.315	49%	0.491	S	S	.	.	H	α-helix	trans	-68.1	-33.4	175.2	-179.1	0	0	0	0	111.2	V355 N356 E357 S362 D363 A396	V355-V360 HydrophobicContact CB-CG2 4.39Å; V355-V360 HydrophobicContact CG1-CG2 4.44Å; N356-V360 PolarHBondContact O-N 3.01Å; E357-V360 PolarHBondContact O-N 2.97Å; V360-S362 VanDerWaalsContact C-N 3.26Å; V360-S362 PolarHBondContact O-N 2.67Å; V360-D363 PolarHBondContact O-N 3.2Å; V360-A396 HydrophobicContact CB-CB 4.46Å; V360-A396 HydrophobicContact CG2-CB 3.97Å
361	S	56.8	Low	60.9	Low	84 Å²	84	86.5 Å²	86.5	59%	0.587	52%	0.516	S	S	*	.	H	α-helix	trans	-62	-31.3	176.7	-61.6	0	0	0	0	113.2	E357 S358 L359	E357-S361 WeakPolarHBondContact O-CB 3.48Å; E357-S361 PolarHBondContact O-N 3.49Å; E357-S361 PolarHBondContact O-OG 2.93Å; S358-S361 WeakPolarHBondContact O-CB 3.45Å; S358-S361 PolarHBondContact O-N 2.86Å; L359-S361 VanDerWaalsContact C-N 3.31Å
362	S	54.8	Low	59.1	Low	99 Å²	99	86.2 Å²	86.2	69%	0.692	52%	0.524	S	S	*	.	H	α-helix	trans	-76.3	-21.1	177.6	29.8	0	0	0	0	115.1	S358 L359 V360 A364	S358-S362 PolarHBondContact O-OG 2.75Å; L359-S362 PolarHBondContact O-N 3.28Å; L359-S362 PolarHBondContact O-OG 2.91Å; V360-S362 VanDerWaalsContact C-N 3.26Å; V360-S362 PolarHBondContact O-N 2.67Å; S362-A364 PolarHBondContact O-N 3.11Å
363	D	48.6	Very low	57.2	Low	72 Å²	72	87.5 Å²	87.5	39%	0.385	53%	0.528	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	29.9	-171.2	-147	-12.3	0	0	0	113.4	V360 G365 R366	V360-D363 PolarHBondContact O-N 3.2Å; D363-G365 PolarHBondContact O-N 2.92Å; D363-R366 VanDerWaalsContact CG-NE 3.32Å; D363-R366 PolarHBondContact O-N 2.93Å; D363-R366 WeakPolarHBondContact OD1-CG 3.18Å; D363-R366 IonicContact OD1-NE 2.88Å; D363-R366 PolarHBondContact OD1-NE 3.31Å; D363-R366 IonicContact OD2-CZ 3.25Å; D363-R366 IonicContact OD2-NE 2.79Å; D363-R366 PolarHBondContact OD2-NE 3.49Å; D363-R366 IonicContact OD2-NH2 2.93Å; D363-R366 PolarHBondContact OD2-NH2 3.12Å
364	A	48.4	Very low	55.5	Low	96 Å²	96	91 Å²	91	79%	0.793	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	3.3	-177.6	0	0	0	0	0	115.2	S362	S362-A364 PolarHBondContact O-N 3.11Å
365	G	45.1	Very low	53.8	Low	76 Å²	76	97.3 Å²	97.3	78%	0.784	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.5	-14.4	174.8	0	0	0	0	0	115	D363 K367	D363-G365 PolarHBondContact O-N 2.92Å; G365-K367 PolarHBondContact O-N 3Å
366	R	44.3	Very low	51.8	Low	171 Å²	171	100.6 Å²	100.6	65%	0.645	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-73.3	130.1	179.4	-65.9	-164.2	-160.9	-155.6	12.3	111.7	D363	D363-R366 VanDerWaalsContact CG-NE 3.32Å; D363-R366 PolarHBondContact O-N 2.93Å; D363-R366 WeakPolarHBondContact OD1-CG 3.18Å; D363-R366 IonicContact OD1-NE 2.88Å; D363-R366 PolarHBondContact OD1-NE 3.31Å; D363-R366 IonicContact OD2-CZ 3.25Å; D363-R366 IonicContact OD2-NE 2.79Å; D363-R366 PolarHBondContact OD2-NE 3.49Å; D363-R366 IonicContact OD2-NH2 2.93Å; D363-R366 PolarHBondContact OD2-NH2 3.12Å
367	K	41.8	Very low	50	Low	189 Å²	189	104 Å²	104	82%	0.822	59%	0.592	S	S	*	*	P	Polyproline II helix	trans	-62.9	137.4	160.8	-65.2	179.3	179.9	177.9	0	108.2	G365	G365-K367 PolarHBondContact O-N 3Å
368	P	44.9	Very low	48.5	Very low	102 Å²	102	107.2 Å²	107.2	66%	0.662	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-59	142.2	173.6	25.8	-33.9	0	0	0	110	D373	P368-D373 HydrophobicContact CB-CB 4.42Å
369	Y	43.2	Very low	47.1	Very low	157 Å²	157	111.4 Å²	111.4	62%	0.616	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-60.6	140.4	179.3	-89.5	-100	0	0	0	110.7	G371 G372	Y369-G371 PolarHBondContact O-N 3.09Å; Y369-G372 PolarHBondContact O-N 2.93Å
370	P	38.6	Very low	45.7	Very low	142 Å²	142	113 Å²	113	92%	0.922	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.8	24.8	-177.2	32.7	-37.1	0	0	0	114.4
371	G	46.4	Very low	44.9	Very low	78 Å²	78	118.7 Å²	118.7	80%	0.804	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.6	-9.8	166.6	0	0	0	0	0	113.8	Y369	Y369-G371 PolarHBondContact O-N 3.09Å
372	G	44.3	Very low	44.2	Very low	40 Å²	40	124.4 Å²	124.4	41%	0.412	67%	0.668	S	S	.	*			trans	102.7	95.6	173.9	0	0	0	0	0	115.3	Y369 R374	Y369-G372 PolarHBondContact O-N 2.93Å; G372-R374 PolarHBondContact O-N 2.88Å
373	D	41.8	Very low	43.7	Very low	54 Å²	54	128.8 Å²	128.8	29%	0.289	67%	0.674	S	S	.	*			trans	-69.1	72	162.9	178.9	31	0	0	0	110.1	P368 R375 S398	P368-D373 HydrophobicContact CB-CB 4.42Å; D373-R375 VanDerWaalsContact C-N 3.3Å; D373-R375 PolarHBondContact O-N 3.06Å; D373-R375 IonicContact OD1-NE 2.99Å; D373-R375 IonicContact OD2-CZ 2.76Å; D373-R375 VanDerWaalsContact OD2-CZ 3.26Å; D373-R375 IonicContact OD2-NE 2.66Å; D373-R375 PolarHBondContact OD2-NE 3Å; D373-R375 IonicContact OD2-NH2 3.68Å; D373-R375 PolarHBondContact OD2-NH2 3.31Å; D373-S398 PolarHBondContact OD1-OG 2.85Å
374	R	50.5	Low	43.6	Very low	135 Å²	135	128.6 Å²	128.6	51%	0.509	68%	0.677	S	S	.	*			trans	-75.9	82.1	176	-75.2	-171.7	-179.6	148.7	0.6	110	G372 Y376 E401	G372-R374 PolarHBondContact O-N 2.88Å; R374-Y376 HydrophobicContact CB-CD2 4.06Å; R374-Y376 HydrophobicContact CB-CE1 4.42Å; R374-Y376 HydrophobicContact CB-CE2 3.65Å; R374-Y376 WeakPolarHBondContact CD-OH 3.37Å; R374-Y376 PolarHBondContact NH1-OH 3.07Å; R374-Y376 WeakPolarHBondContact O-CD2 3.46Å; R374-Y376 PolarHBondContact O-N 2.84Å; R374-E401 IonicContact CZ-OE1 3.6Å; R374-E401 IonicContact CZ-OE2 3.31Å; R374-E401 VanDerWaalsContact NH1-CD 3.32Å; R374-E401 IonicContact NH1-OE1 3.14Å; R374-E401 PolarHBondContact NH1-OE1 3.38Å; R374-E401 IonicContact NH1-OE2 2.8Å; R374-E401 PolarHBondContact NH1-OE2 2.93Å
375	R	48.7	Very low	43.4	Very low	157 Å²	157	128.7 Å²	128.7	59%	0.592	66%	0.664	S	S	*	*			trans	-64	95	166.5	-58	179.8	-164.2	-166.8	-0.3	108.8	D373 P377	D373-R375 VanDerWaalsContact C-N 3.3Å; D373-R375 PolarHBondContact O-N 3.06Å; D373-R375 IonicContact OD1-NE 2.99Å; D373-R375 IonicContact OD2-CZ 2.76Å; D373-R375 VanDerWaalsContact OD2-CZ 3.26Å; D373-R375 IonicContact OD2-NE 2.66Å; D373-R375 PolarHBondContact OD2-NE 3Å; D373-R375 IonicContact OD2-NH2 3.68Å; D373-R375 PolarHBondContact OD2-NH2 3.31Å; R375-P377 VanDerWaalsContact O-CD 3.24Å; R375-P377 WeakPolarHBondContact O-CD 3.44Å
376	Y	41.4	Very low	43.6	Very low	101 Å²	101	131.3 Å²	131.3	40%	0.396	67%	0.667	S	S	.	*			trans	-84.2	106.6	-178.7	-71.1	-76.7	0	0	0	111.4	R374 F378 E401	R374-Y376 HydrophobicContact CB-CD2 4.06Å; R374-Y376 HydrophobicContact CB-CE1 4.42Å; R374-Y376 HydrophobicContact CB-CE2 3.65Å; R374-Y376 WeakPolarHBondContact CD-OH 3.37Å; R374-Y376 PolarHBondContact NH1-OH 3.07Å; R374-Y376 WeakPolarHBondContact O-CD2 3.46Å; R374-Y376 PolarHBondContact O-N 2.84Å; Y376-F378 HydrophobicContact CD1-CD2 4.06Å; Y376-F378 AromaticContact CD1-CE2 3.64Å; Y376-F378 HydrophobicContact CD1-CE2 3.64Å; Y376-F378 HydrophobicContact CE1-CE2 4.27Å; Y376-F378 HydrophobicContact CG-CD2 4.37Å; Y376-F378 HydrophobicContact CG-CE2 4.39Å; Y376-F378 PolarHBondContact O-N 3.31Å; Y376-F378 VanDerWaalsContact O-N 3.1Å; Y376-E401 PolarHBondContact OH-OE1 3.34Å
377	P	39.5	Very low	43.8	Very low	117 Å²	117	128.2 Å²	128.2	76%	0.76	67%	0.667	S	S	*	*			trans	-90.8	49.3	-178.7	39.4	-33.4	0	0	0	111	R375 F379	R375-P377 VanDerWaalsContact O-CD 3.24Å; R375-P377 WeakPolarHBondContact O-CD 3.44Å; P377-F379 PolarHBondContact O-N 3.17Å
378	F	41.5	Very low	44.4	Very low	167 Å²	167	121.7 Å²	121.7	73%	0.732	64%	0.64	S	S	*	*			trans	-69.7	-18.4	-174.1	-88.1	-59.3	0	0	0	114.1	Y376 S380	Y376-F378 HydrophobicContact CD1-CD2 4.06Å; Y376-F378 AromaticContact CD1-CE2 3.64Å; Y376-F378 HydrophobicContact CD1-CE2 3.64Å; Y376-F378 HydrophobicContact CE1-CE2 4.27Å; Y376-F378 HydrophobicContact CG-CD2 4.37Å; Y376-F378 HydrophobicContact CG-CE2 4.39Å; Y376-F378 PolarHBondContact O-N 3.31Å; Y376-F378 VanDerWaalsContact O-N 3.1Å; F378-S380 PolarHBondContact O-N 3.41Å
379	F	40.5	Very low	44.8	Very low	160 Å²	160	123.8 Å²	123.8	70%	0.702	64%	0.641	S	S	*	*			trans	-91.7	98.9	172.3	-61.1	-67.5	0	0	0	110.9	P377 F381	P377-F379 PolarHBondContact O-N 3.17Å; F379-F381 HydrophobicContact CB-CD2 3.99Å; F379-F381 HydrophobicContact CB-CE2 3.65Å; F379-F381 HydrophobicContact CB-CZ 4.09Å; F379-F381 WeakPolarHBondContact O-CD2 3.09Å; F379-F381 PolarHBondContact O-N 3.06Å
380	S	36	Very low	45.5	Very low	123 Å²	123	117.9 Å²	117.9	86%	0.86	62%	0.619	S	S	*	*			trans	-67.5	76.6	162.6	-74.5	0	0	0	0	110.1	F378 K382	F378-S380 PolarHBondContact O-N 3.41Å; S380-K382 PolarHBondContact O-N 3.46Å
381	F	46.8	Very low	46.3	Very low	172 Å²	172	112.8 Å²	112.8	75%	0.754	59%	0.588	S	S	*	*			trans	-54.6	126.3	170.5	-74.3	-76.9	0	0	0	109.1	F379 K383	F379-F381 HydrophobicContact CB-CD2 3.99Å; F379-F381 HydrophobicContact CB-CE2 3.65Å; F379-F381 HydrophobicContact CB-CZ 4.09Å; F379-F381 WeakPolarHBondContact O-CD2 3.09Å; F379-F381 PolarHBondContact O-N 3.06Å; F381-K383 PolarHBondContact O-N 2.92Å
382	K	41.8	Very low	47	Very low	204 Å²	204	114.1 Å²	114.1	89%	0.887	57%	0.573	S	S	*	*			trans	-59.1	106.9	176.3	-170.3	-178.2	-174.2	-175.3	0	107.5	S380	S380-K382 PolarHBondContact O-N 3.46Å
383	K	43.9	Very low	47.9	Very low	192 Å²	192	115 Å²	115	84%	0.835	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-48.4	125.8	-174.1	-72.9	-170	175.2	-173.1	0	109.5	F381 N385	F381-K383 PolarHBondContact O-N 2.92Å; K383-N385 PolarHBondContact O-N 2.85Å
384	P	46.6	Very low	49.2	Very low	68 Å²	68	114.5 Å²	114.5	44%	0.442	57%	0.571	S	S	.	*	P	Polyproline II helix	trans	-58.1	141.2	178.8	24.3	-32.8	0	0	0	109.1	E388	P384-E388 VanDerWaalsContact CA-OE2 3.3Å; P384-E388 WeakPolarHBondContact CA-OE2 3.4Å; P384-E388 WeakPolarHBondContact CB-OE2 3.37Å
385	N	44.9	Very low	50.4	Low	97 Å²	97	110.9 Å²	110.9	52%	0.519	57%	0.567	S	S	.	*	P	Polyproline II helix	trans	-71.2	130.7	-178	-164.7	15.7	0	0	0	107.2	K383 T387 E388	K383-N385 PolarHBondContact O-N 2.85Å; N385-T387 PolarHBondContact ND2-OG1 2.91Å; N385-T387 PolarHBondContact O-N 2.77Å; N385-E388 HydrophobicContact CB-CG 4.06Å; N385-E388 PolarHBondContact N-OE2 2.94Å; N385-E388 WeakPolarHBondContact O-CB 3.18Å; N385-E388 VanDerWaalsContact O-CG 3.23Å; N385-E388 WeakPolarHBondContact O-CG 3.47Å; N385-E388 PolarHBondContact O-N 3.09Å
386	P	47.8	Very low	51.7	Low	131 Å²	131	104.7 Å²	104.7	85%	0.851	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-3.3	-172.6	20.9	-33.8	0	0	0	115.9	E388	P386-E388 VanDerWaalsContact C-N 3.26Å
387	T	50.1	Low	53.5	Low	106 Å²	106	104.1 Å²	104.1	65%	0.65	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.4	-6.8	165.7	53.8	0	0	0	0	113.9	N385 Q389	N385-T387 PolarHBondContact ND2-OG1 2.91Å; N385-T387 PolarHBondContact O-N 2.77Å; T387-Q389 PolarHBondContact O-N 3.4Å
388	E	53.5	Low	55.4	Low	52 Å²	52	99.5 Å²	99.5	24%	0.243	52%	0.523	C	S	.	.			trans	-90.8	97.1	-172.1	-64.8	-177.9	143.5	0	0	111.3	R284 P384 N385 P386 F390	R284-E388 IonicContact CZ-OE1 3.45Å; R284-E388 IonicContact NH1-OE1 3.75Å; R284-E388 PolarHBondContact NH1-OE1 3.41Å; P384-E388 VanDerWaalsContact CA-OE2 3.3Å; P384-E388 WeakPolarHBondContact CA-OE2 3.4Å; P384-E388 WeakPolarHBondContact CB-OE2 3.37Å; N385-E388 HydrophobicContact CB-CG 4.06Å; N385-E388 PolarHBondContact N-OE2 2.94Å; N385-E388 WeakPolarHBondContact O-CB 3.18Å; N385-E388 VanDerWaalsContact O-CG 3.23Å; N385-E388 WeakPolarHBondContact O-CG 3.47Å; N385-E388 PolarHBondContact O-N 3.09Å; P386-E388 VanDerWaalsContact C-N 3.26Å; E388-F390 HydrophobicContact CB-CD2 3.64Å; E388-F390 HydrophobicContact CB-CE2 3.61Å; E388-F390 HydrophobicContact CB-CG 4.35Å; E388-F390 HydrophobicContact CB-CZ 4.29Å; E388-F390 HydrophobicContact CG-CD2 4.45Å; E388-F390 HydrophobicContact CG-CE2 3.91Å; E388-F390 HydrophobicContact CG-CZ 4.39Å; E388-F390 PolarHBondContact O-N 2.79Å
389	Q	53.3	Low	57.1	Low	147 Å²	147	93 Å²	93	69%	0.687	50%	0.497	S	S	*	.			trans	-74.6	48.1	177.5	-57.9	-177.5	-52.3	0	0	112.1	T387	T387-Q389 PolarHBondContact O-N 3.4Å
390	F	58.8	Low	58.9	Low	33 Å²	33	90.2 Å²	90.2	15%	0.145	49%	0.485	C	S	.	.			trans	-79.6	138	176.8	-64.5	-45	0	0	0	111	D282 R284 R285 E388 H392	D282-F390 WeakPolarHBondContact OD2-CE1 3.34Å; R284-F390 VanDerWaalsContact NH2-CZ 3.32Å; R285-F390 HydrophobicContact CG-CZ 4.46Å; R285-F390 VanDerWaalsContact NE-CE1 3.35Å; R285-F390 VanDerWaalsContact NH2-CE2 3.28Å; E388-F390 HydrophobicContact CB-CD2 3.64Å; E388-F390 HydrophobicContact CB-CE2 3.61Å; E388-F390 HydrophobicContact CB-CG 4.35Å; E388-F390 HydrophobicContact CB-CZ 4.29Å; E388-F390 HydrophobicContact CG-CD2 4.45Å; E388-F390 HydrophobicContact CG-CE2 3.91Å; E388-F390 HydrophobicContact CG-CZ 4.39Å; E388-F390 PolarHBondContact O-N 2.79Å; F390-H392 AromaticContact CD2-NE2 3.67Å; F390-H392 PolarHBondContact O-N 2.62Å
391	A	53.9	Low	60.6	Low	34 Å²	34	89 Å²	89	28%	0.281	47%	0.466	S	S	.	.			trans	-69.1	123.4	150.1	0	0	0	0	0	107.4	V335 D336	V335-A391 HydrophobicContact CG1-CB 4.2Å; D336-A391 WeakPolarHBondContact OD1-CB 3.24Å
392	H	61.3	Low	61.6	Low	106 Å²	106	83.9 Å²	83.9	49%	0.491	45%	0.449	S	S	.	.			trans	-105.5	105.3	178.6	-89	-85.6	0	0	0	108.9	F390 S394	F390-H392 AromaticContact CD2-NE2 3.67Å; F390-H392 PolarHBondContact O-N 2.62Å; H392-S394 PolarHBondContact O-N 2.99Å
393	V	64.1	Low	62.5	Low	59 Å²	59	81 Å²	81	36%	0.358	44%	0.443	S	S	.	.			trans	-71.8	121	157.8	179.6	0	0	0	0	106.9	V335 P340	V335-V393 HydrophobicContact CG2-CG2 4.41Å; V335-V393 VanDerWaalsContact O-CG2 3.26Å; V335-V393 WeakPolarHBondContact O-CG2 3.21Å; P340-V393 HydrophobicContact CB-CG1 3.66Å; P340-V393 HydrophobicContact CG-CG1 4.41Å
394	S	68.6	Low	63	Low	43 Å²	43	78.1 Å²	78.1	30%	0.301	44%	0.436	S	S	.	.			trans	-125.9	142.2	177.4	55.6	0	0	0	0	111	E357 H392	E357-S394 WeakPolarHBondContact CB-OG 3.49Å; E357-S394 PolarHBondContact N-O 3.07Å; E357-S394 WeakPolarHBondContact OE2-CB 3.43Å; E357-S394 PolarHBondContact OE2-OG 3.08Å; H392-S394 PolarHBondContact O-N 2.99Å
395	S	75	Confident	63.4	Low	59 Å²	59	82.7 Å²	82.7	41%	0.413	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	130.7	-177.4	-48.5	0	0	0	0	109.9	P340 V355	P340-S395 WeakPolarHBondContact CA-OG 3.38Å; P340-S395 WeakPolarHBondContact CB-OG 3.4Å; P340-S395 WeakPolarHBondContact O-CB 3.18Å; P340-S395 PolarHBondContact O-OG 3.24Å; V355-S395 CarbonylContact O-C 3.59Å; V355-S395 VanDerWaalsContact O-CA 3.22Å; V355-S395 WeakPolarHBondContact O-CA 3.1Å
396	A	77.1	Confident	63.7	Low	28 Å²	28	82.2 Å²	82.2	23%	0.231	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	125.3	167.1	0	0	0	0	0	108.8	A354 V355 V360	A354-A396 WeakPolarHBondContact CA-O 3.24Å; V355-A396 PolarHBondContact N-O 2.84Å; V355-A396 PolarHBondContact O-N 2.82Å; V360-A396 HydrophobicContact CB-CB 4.46Å; V360-A396 HydrophobicContact CG2-CB 3.97Å
397	L	79	Confident	64.2	Low	88 Å²	88	81 Å²	81	46%	0.461	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	123.7	172.6	178.4	68.1	0	0	0	109.3	A352 A354	A352-L397 HydrophobicContact CB-CD1 4.44Å; A354-L397 HydrophobicContact CB-CD1 4.44Å
398	S	79.3	Confident	64.8	Low	20 Å²	20	82 Å²	82	14%	0.14	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	149.5	168.6	-77.5	0	0	0	0	109.5	F353 D373	F353-S398 WeakPolarHBondContact CD1-O 3.11Å; F353-S398 PolarHBondContact N-O 3.41Å; F353-S398 PolarHBondContact O-N 2.91Å; D373-S398 PolarHBondContact OD1-OG 2.85Å
399	V	77.8	Confident	65.7	Low	32 Å²	32	83.7 Å²	83.7	19%	0.194	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	126.7	-177.9	-173.9	0	0	0	0	108.5	L351 A352	L351-V399 WeakPolarHBondContact O-CA 3.42Å; A352-V399 HydrophobicContact CB-CG2 4.15Å
400	F	76.4	Confident	66.8	Low	100 Å²	100	80.1 Å²	80.1	44%	0.439	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	108.1	167.5	-62.9	-71.1	0	0	0	108.6	D350 L351 F353	D350-F400 CarbonylContact C-O 3.53Å; D350-F400 WeakPolarHBondContact CA-O 3.27Å; L351-F400 HydrophobicContact CB-CB 4.4Å; L351-F400 PolarHBondContact N-O 2.77Å; L351-F400 PolarHBondContact O-N 3.1Å; F353-F400 HydrophobicContact CD1-CD2 4.15Å; F353-F400 AromaticContact CD1-CE2 3.84Å; F353-F400 HydrophobicContact CD1-CE2 3.84Å; F353-F400 AromaticContact CE1-CD2 3.94Å; F353-F400 HydrophobicContact CE1-CD2 3.94Å; F353-F400 AromaticContact CE1-CE2 3.27Å; F353-F400 HydrophobicContact CE1-CE2 3.27Å; F353-F400 AromaticContact CE1-CZ 3.89Å; F353-F400 HydrophobicContact CE1-CZ 3.89Å; F353-F400 HydrophobicContact CZ-CE2 4.02Å; F353-F400 HydrophobicContact CZ-CZ 4.36Å
401	E	72	Confident	68	Low	99 Å²	99	81.3 Å²	81.3	46%	0.463	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-72.3	134.6	167.7	-63.6	171.8	-159.8	0	0	108	R374 Y376	R374-E401 IonicContact CZ-OE1 3.6Å; R374-E401 IonicContact CZ-OE2 3.31Å; R374-E401 VanDerWaalsContact NH1-CD 3.32Å; R374-E401 IonicContact NH1-OE1 3.14Å; R374-E401 PolarHBondContact NH1-OE1 3.38Å; R374-E401 IonicContact NH1-OE2 2.8Å; R374-E401 PolarHBondContact NH1-OE2 2.93Å; Y376-E401 PolarHBondContact OH-OE1 3.34Å
402	T	67.6	Low	69.7	Low	64 Å²	64	80.2 Å²	80.2	39%	0.393	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-84.9	138.8	-175.2	-23.5	0	0	0	0	111.4	G349 D350 L404	G349-T402 PolarHBondContact O-OG1 3.11Å; D350-T402 WeakPolarHBondContact CA-OG1 3.46Å; D350-T402 PolarHBondContact N-OG1 3.11Å; D350-T402 VanDerWaalsContact N-OG1 3.08Å; D350-T402 PolarHBondContact OD1-N 3.31Å; D350-T402 PolarHBondContact OD1-OG1 2.97Å; T402-L404 PolarHBondContact O-N 3.42Å
403	D	60.6	Low	71	Confident	143 Å²	143	76.8 Å²	76.8	77%	0.765	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-60.1	133.1	-177.3	-85.2	-43.1	0	0	0	112.8	D405 S406	D403-D405 VanDerWaalsContact C-N 3.27Å; D403-D405 PolarHBondContact O-N 2.87Å; D403-D405 VanDerWaalsContact O-N 3.11Å; D403-S406 PolarHBondContact O-OG 3.32Å
404	L	56.3	Low	72.1	Confident	131 Å²	131	77.9 Å²	77.9	69%	0.686	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-20.7	-163.1	-75.8	160.4	0	0	0	115.8	T402	T402-L404 PolarHBondContact O-N 3.42Å
405	D	53.9	Low	73.2	Confident	164 Å²	164	75.9 Å²	75.9	88%	0.877	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-15.2	-169.5	-70.8	-29.6	0	0	0	114.2	D403 S407	D403-D405 VanDerWaalsContact C-N 3.27Å; D403-D405 PolarHBondContact O-N 2.87Å; D403-D405 VanDerWaalsContact O-N 3.11Å; D405-S407 PolarHBondContact O-N 3.48Å; D405-S407 VanDerWaalsContact O-N 3.11Å
406	S	52.1	Low	74	Confident	87 Å²	87	73.5 Å²	73.5	61%	0.608	39%	0.391	S	S	*	.	S	Bend	trans	-86	82.9	-178.9	63.1	0	0	0	0	112.9	D403 R408	D403-S406 PolarHBondContact O-OG 3.32Å; S406-R408 PolarHBondContact O-N 2.73Å
407	S	56.9	Low	74.5	Confident	107 Å²	107	77.8 Å²	77.8	75%	0.748	41%	0.406	S	S	*	.			trans	32.7	70.7	159	-174.2	0	0	0	0	116.2	D405	D405-S407 PolarHBondContact O-N 3.48Å; D405-S407 VanDerWaalsContact O-N 3.11Å
408	R	63.5	Low	75.2	Confident	125 Å²	125	77.5 Å²	77.5	47%	0.472	41%	0.405	S	S	.	.			trans	-45.6	162.1	167.7	-75.3	178.1	163.5	-174.8	-6	113.2	S406 D410	S406-R408 PolarHBondContact O-N 2.73Å; R408-D410 HydrophobicContact CB-CB 4.3Å; R408-D410 VanDerWaalsContact CB-OD1 3.3Å; R408-D410 WeakPolarHBondContact CB-OD1 3.27Å; R408-D410 PolarHBondContact O-N 3.01Å
409	M	72.2	Confident	75.9	Confident	89 Å²	89	77.4 Å²	77.4	44%	0.438	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	20.1	165.3	-64.1	-60.7	-169.5	0	0	114.1	W411 F412 V413 F680	M409-W411 PolarHBondContact O-N 3.46Å; M409-W411 VanDerWaalsContact O-N 3.11Å; M409-W411 HydrophobicContact SD-CZ2 3.68Å; M409-W411 PolarHBondContact SD-NE1 3.11Å; M409-F412 HydrophobicContact CB-CB 4.29Å; M409-F412 WeakPolarHBondContact O-CB 3.35Å; M409-F412 PolarHBondContact O-N 3.08Å; M409-V413 PolarHBondContact O-N 3.45Å; M409-F680 HydrophobicContact CB-CE1 4.13Å; M409-F680 HydrophobicContact CB-CE2 4.4Å; M409-F680 HydrophobicContact CB-CZ 3.57Å; M409-F680 HydrophobicContact CG-CZ 4.13Å
410	D	77.2	Confident	76.5	Confident	71 Å²	71	78.5 Å²	78.5	38%	0.38	41%	0.406	S	S	.	.	H	α-helix	trans	-43.6	-36.1	162.7	-93.2	49.7	0	0	0	112.7	R408 K414	R408-D410 HydrophobicContact CB-CB 4.3Å; R408-D410 VanDerWaalsContact CB-OD1 3.3Å; R408-D410 WeakPolarHBondContact CB-OD1 3.27Å; R408-D410 PolarHBondContact O-N 3.01Å; D410-K414 VanDerWaalsContact O-CB 3.31Å; D410-K414 WeakPolarHBondContact O-CB 3.5Å; D410-K414 WeakPolarHBondContact O-CD 3.24Å; D410-K414 WeakPolarHBondContact O-CG 3.36Å; D410-K414 PolarHBondContact O-N 3.17Å; D410-K414 IonicContact OD2-NZ 3.69Å; D410-K414 PolarHBondContact OD2-NZ 3.1Å
411	W	84.1	Confident	77.2	Confident	59 Å²	59	74.3 Å²	74.3	22%	0.223	39%	0.388	C	S	.	.	H	α-helix	trans	-66.5	-38.7	176.6	70.6	-96.9	0	0	0	111.9	M409 T415 R442	M409-W411 PolarHBondContact O-N 3.46Å; M409-W411 VanDerWaalsContact O-N 3.11Å; M409-W411 HydrophobicContact SD-CZ2 3.68Å; M409-W411 PolarHBondContact SD-NE1 3.11Å; W411-T415 WeakPolarHBondContact O-CB 3.36Å; W411-T415 PolarHBondContact O-N 3.13Å; W411-T415 PolarHBondContact O-OG1 2.84Å; W411-R442 VanDerWaalsContact CE3-CZ 3.49Å; W411-R442 VanDerWaalsContact CE3-NE 3.32Å; W411-R442 VanDerWaalsContact CZ3-NH1 3.31Å
412	F	88.6	Confident	78	Confident	10 Å²	10	72.3 Å²	72.3	4%	0.044	39%	0.385	C	S	.	.	H	α-helix	trans	-67.3	-45.4	179	171.7	-85.7	0	0	0	110.1	M409 T415 A416 Q644 Y673 L676 L677 F680	M409-F412 HydrophobicContact CB-CB 4.29Å; M409-F412 WeakPolarHBondContact O-CB 3.35Å; M409-F412 PolarHBondContact O-N 3.08Å; F412-T415 PolarHBondContact O-N 2.81Å; F412-A416 VanDerWaalsContact O-CB 3.27Å; F412-A416 WeakPolarHBondContact O-CB 3.46Å; F412-A416 PolarHBondContact O-N 3.44Å; F412-Q644 HydrophobicContact CD2-CB 4.11Å; F412-Q644 HydrophobicContact CE2-CB 3.88Å; F412-Q644 HydrophobicContact CE2-CG 4.49Å; F412-Q644 PolarHBondContact O-NE2 3.41Å; F412-Q644 VanDerWaalsContact O-NE2 3.1Å; F412-Y673 AromaticContact CE2-CD2 3.87Å; F412-Y673 HydrophobicContact CE2-CD2 3.87Å; F412-Y673 AromaticContact CE2-CE2 3.64Å; F412-Y673 HydrophobicContact CE2-CE2 3.64Å; F412-Y673 AromaticContact CZ-CD2 3.84Å; F412-Y673 HydrophobicContact CZ-CD2 3.84Å; F412-Y673 AromaticContact CZ-CE2 3.58Å; F412-Y673 HydrophobicContact CZ-CE2 3.58Å; F412-L676 HydrophobicContact CE1-CB 4.37Å; F412-L676 HydrophobicContact CE2-CB 4.19Å; F412-L676 HydrophobicContact CE2-CD1 4.24Å; F412-L676 HydrophobicContact CZ-CB 3.62Å; F412-L676 HydrophobicContact CZ-CD1 4.5Å; F412-L677 HydrophobicContact CE1-CD2 4.03Å; F412-L677 HydrophobicContact CZ-CD2 4.08Å; F412-L677 HydrophobicContact CZ-CG 4.36Å; F412-F680 AromaticContact CD1-CD2 3.57Å; F412-F680 HydrophobicContact CD1-CD2 3.57Å; F412-F680 AromaticContact CD1-CE2 3.74Å; F412-F680 HydrophobicContact CD1-CE2 3.74Å; F412-F680 HydrophobicContact CD1-CG 4.3Å; F412-F680 AromaticContact CE1-CD2 3.43Å; F412-F680 HydrophobicContact CE1-CD2 3.43Å; F412-F680 VanDerWaalsContact CE1-CD2 3.43Å; F412-F680 AromaticContact CE1-CE2 3.94Å; F412-F680 HydrophobicContact CE1-CE2 3.94Å; F412-F680 HydrophobicContact CE1-CG 4.28Å; F412-F680 HydrophobicContact CG-CE2 4.45Å; F412-F680 HydrophobicContact CZ-CD2 4.4Å
413	V	87.7	Confident	78.8	Confident	34 Å²	34	73.2 Å²	73.2	21%	0.206	41%	0.407	C	S	.	.	H	α-helix	trans	-62.4	-46.8	177.4	175.7	0	0	0	0	111.2	M409 A416 Q417 F680 L682	M409-V413 PolarHBondContact O-N 3.45Å; V413-A416 PolarHBondContact O-N 3.06Å; V413-Q417 VanDerWaalsContact O-CG 3.31Å; V413-Q417 WeakPolarHBondContact O-CG 3.25Å; V413-Q417 PolarHBondContact O-N 3.07Å; V413-Q417 VanDerWaalsContact O-N 3.09Å; V413-F680 HydrophobicContact CG2-CB 4.33Å; V413-F680 HydrophobicContact CG2-CD1 3.76Å; V413-F680 HydrophobicContact CG2-CE1 4.27Å; V413-F680 HydrophobicContact CG2-CG 4.05Å; V413-L682 HydrophobicContact CG1-CD1 4.33Å; V413-L682 HydrophobicContact CG1-CD2 4.32Å; V413-L682 HydrophobicContact CG2-CD1 4.39Å
414	K	89.1	Confident	80.1	Confident	83 Å²	83	70.7 Å²	70.7	36%	0.361	39%	0.389	S	S	.	.	H	α-helix	trans	-68.4	-37.6	177.8	-69.8	164.2	-167.4	158.2	0	111.9	D410 Q417 L418 L440	D410-K414 VanDerWaalsContact O-CB 3.31Å; D410-K414 WeakPolarHBondContact O-CB 3.5Å; D410-K414 WeakPolarHBondContact O-CD 3.24Å; D410-K414 WeakPolarHBondContact O-CG 3.36Å; D410-K414 PolarHBondContact O-N 3.17Å; D410-K414 IonicContact OD2-NZ 3.69Å; D410-K414 PolarHBondContact OD2-NZ 3.1Å; K414-Q417 PolarHBondContact O-N 3.39Å; K414-L418 HydrophobicContact CB-CD1 4.33Å; K414-L418 WeakPolarHBondContact O-CB 3.45Å; K414-L418 VanDerWaalsContact O-CG 3.22Å; K414-L418 WeakPolarHBondContact O-CG 3.45Å; K414-L418 PolarHBondContact O-N 3.21Å; K414-L440 HydrophobicContact CB-CD1 3.85Å; K414-L440 HydrophobicContact CB-CD2 3.72Å; K414-L440 HydrophobicContact CB-CG 4.46Å; K414-L440 HydrophobicContact CD-CD2 3.83Å; K414-L440 HydrophobicContact CG-CD2 4.38Å
415	T	91.3	Very high	81.8	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-61.8	-47.7	174.1	-59.6	0	0	0	0	110.4	W411 F412 Q417 L418 Y419 L440 Q644	W411-T415 WeakPolarHBondContact O-CB 3.36Å; W411-T415 PolarHBondContact O-N 3.13Å; W411-T415 PolarHBondContact O-OG1 2.84Å; F412-T415 PolarHBondContact O-N 2.81Å; T415-Q417 VanDerWaalsContact C-N 3.27Å; T415-Q417 PolarHBondContact O-N 3.11Å; T415-L418 PolarHBondContact O-N 2.66Å; T415-Y419 HydrophobicContact CG2-CD1 3.86Å; T415-Y419 HydrophobicContact CG2-CD2 3.61Å; T415-Y419 HydrophobicContact CG2-CE1 3.7Å; T415-Y419 HydrophobicContact CG2-CE2 3.42Å; T415-Y419 VanDerWaalsContact CG2-CE2 3.42Å; T415-Y419 HydrophobicContact CG2-CG 3.84Å; T415-Y419 VanDerWaalsContact CG2-CZ 3.47Å; T415-Y419 WeakPolarHBondContact O-CB 3.24Å; T415-Y419 PolarHBondContact O-N 2.89Å; T415-L440 VanDerWaalsContact OG1-CD1 3.28Å; T415-L440 WeakPolarHBondContact OG1-CD1 3.47Å; T415-Q644 HydrophobicContact CG2-CG 4.17Å
416	A	90.5	Very high	83.5	Confident	9 Å²	9	62 Å²	62	7%	0.074	35%	0.345	C	S	.	.	H	α-helix	trans	-60	-34.1	178.3	0	0	0	0	0	113.3	F412 V413 L677 L682 V685	F412-A416 VanDerWaalsContact O-CB 3.27Å; F412-A416 WeakPolarHBondContact O-CB 3.46Å; F412-A416 PolarHBondContact O-N 3.44Å; V413-A416 PolarHBondContact O-N 3.06Å; A416-L677 HydrophobicContact CB-CD2 3.71Å; A416-L682 HydrophobicContact CB-CD1 3.81Å; A416-V685 HydrophobicContact CB-CG1 4.24Å; A416-V685 WeakPolarHBondContact O-CG1 3.47Å
417	Q	89.4	Confident	85.2	Confident	118 Å²	118	60 Å²	60	55%	0.551	33%	0.329	S	S	*	.	H	α-helix	trans	-89	-19.8	-179	-70	174.3	-8.3	0	0	114.5	V413 K414 T415 L682	V413-Q417 VanDerWaalsContact O-CG 3.31Å; V413-Q417 WeakPolarHBondContact O-CG 3.25Å; V413-Q417 PolarHBondContact O-N 3.07Å; V413-Q417 VanDerWaalsContact O-N 3.09Å; K414-Q417 PolarHBondContact O-N 3.39Å; T415-Q417 VanDerWaalsContact C-N 3.27Å; T415-Q417 PolarHBondContact O-N 3.11Å; Q417-L682 HydrophobicContact CG-CD2 4.29Å; Q417-L682 VanDerWaalsContact NE2-CD2 3.35Å
418	L	92.1	Very high	86.9	Confident	83 Å²	83	59.5 Å²	59.5	44%	0.435	32%	0.315	S	S	.	.	H	α-helix	trans	-112.8	-16.5	-173.1	-63.7	173.7	0	0	0	114.1	K414 T415 H432 V436	K414-L418 HydrophobicContact CB-CD1 4.33Å; K414-L418 WeakPolarHBondContact O-CB 3.45Å; K414-L418 VanDerWaalsContact O-CG 3.22Å; K414-L418 WeakPolarHBondContact O-CG 3.45Å; K414-L418 PolarHBondContact O-N 3.21Å; T415-L418 PolarHBondContact O-N 2.66Å; L418-H432 PolarHBondContact O-NE2 3.31Å; L418-V436 HydrophobicContact CB-CG1 3.73Å; L418-V436 HydrophobicContact CB-CG2 4.07Å; L418-V436 HydrophobicContact CD1-CG1 4.34Å
419	Y	93.8	Very high	88.2	Confident	17 Å²	17	54 Å²	54	7%	0.067	30%	0.295	C	S	.	.			trans	-68.3	139.1	172.7	-87.1	9.3	0	0	0	111.5	T415 N433 V436 V445 W449	T415-Y419 HydrophobicContact CG2-CD1 3.86Å; T415-Y419 HydrophobicContact CG2-CD2 3.61Å; T415-Y419 HydrophobicContact CG2-CE1 3.7Å; T415-Y419 HydrophobicContact CG2-CE2 3.42Å; T415-Y419 VanDerWaalsContact CG2-CE2 3.42Å; T415-Y419 HydrophobicContact CG2-CG 3.84Å; T415-Y419 VanDerWaalsContact CG2-CZ 3.47Å; T415-Y419 WeakPolarHBondContact O-CB 3.24Å; T415-Y419 PolarHBondContact O-N 2.89Å; Y419-N433 WeakPolarHBondContact CA-OD1 3.31Å; Y419-N433 HydrophobicContact CD1-CB 3.94Å; Y419-N433 HydrophobicContact CE1-CB 3.81Å; Y419-N433 WeakPolarHBondContact CE1-O 3.45Å; Y419-N433 HydrophobicContact CG-CB 4.34Å; Y419-V436 HydrophobicContact CD1-CB 4.13Å; Y419-V436 HydrophobicContact CD1-CG1 3.83Å; Y419-V436 HydrophobicContact CE1-CB 4.06Å; Y419-V436 HydrophobicContact CE1-CG1 3.88Å; Y419-V445 VanDerWaalsContact OH-CG1 3.23Å; Y419-V445 WeakPolarHBondContact OH-CG1 3.3Å; Y419-W449 HydrophobicContact CD2-CZ2 4.29Å; Y419-W449 AromaticContact CE2-CZ2 3.87Å; Y419-W449 HydrophobicContact CE2-CZ2 3.87Å; Y419-W449 AromaticContact CE2-NE1 3.62Å; Y419-W449 AromaticContact CZ-NE1 3.36Å; Y419-W449 PolarHBondContact OH-NE1 2.98Å
420	L	91.8	Very high	89.2	Confident	55 Å²	55	49.8 Å²	49.8	29%	0.288	27%	0.274	S	S	.	.			trans	-99.9	121.4	169.5	-63.1	176.3	0	0	0	108.1	K424 L429 H432 N433	L420-K424 HydrophobicContact CD1-CD 3.84Å; L420-L429 HydrophobicContact CB-CD2 3.53Å; L420-H432 HydrophobicContact CD1-CB 4.41Å; L420-N433 PolarHBondContact N-OD1 3.13Å; L420-N433 PolarHBondContact O-ND2 2.85Å; L420-N433 PolarHBondContact O-OD1 2.78Å
421	L	91.1	Very high	90	Very high	13 Å²	13	49.2 Å²	49.2	7%	0.068	27%	0.271	C	S	.	.			trans	-103.1	-17.8	-179.8	-60.7	179.2	0	0	0	112.5	I651 V652 V689 L692	L421-I651 HydrophobicContact CB-CG2 3.97Å; L421-I651 HydrophobicContact CD1-CD1 3.99Å; L421-V652 HydrophobicContact CD2-CG2 4.15Å; L421-V689 HydrophobicContact CD1-CG2 4.15Å; L421-L692 HydrophobicContact CB-CD1 3.61Å; L421-L692 HydrophobicContact CD1-CD1 4.47Å
422	S	88.6	Confident	90.5	Very high	56 Å²	56	49.3 Å²	49.3	39%	0.392	27%	0.274	S	S	.	.	S	Bend	trans	-151.4	-179.8	179.8	73.2	0	0	0	0	111.9	K424	S422-K424 PolarHBondContact O-N 3.12Å
423	G	84.1	Confident	90.8	Very high	83 Å²	83	48.9 Å²	48.9	86%	0.856	27%	0.272	S	S	*	.	S	Bend	trans	82.5	-2.3	168.1	0	0	0	0	0	117.4
424	K	88.9	Confident	91.1	Very high	91 Å²	91	47.5 Å²	47.5	40%	0.396	27%	0.265	S	S	.	.	S	Bend	trans	-133.9	165.1	173.3	-69.9	-173.4	179.9	178.5	0	111.6	L420 S422 E428 L429	L420-K424 HydrophobicContact CD1-CD 3.84Å; S422-K424 PolarHBondContact O-N 3.12Å; K424-E428 HydrophobicContact CB-CB 4.26Å; K424-E428 HydrophobicContact CD-CB 4.18Å; K424-L429 HydrophobicContact CB-CD2 3.77Å; K424-L429 HydrophobicContact CB-CG 4.01Å; K424-L429 HydrophobicContact CG-CD2 4.48Å
425	P	90.6	Very high	91.4	Very high	72 Å²	72	46.9 Å²	46.9	47%	0.468	27%	0.268	S	S	.	.			trans	-55	143.3	167.7	-24.5	35.1	0	0	0	112.1	T427 E428 L429	P425-T427 PolarHBondContact O-N 2.8Å; P425-T427 VanDerWaalsContact O-N 3.11Å; P425-E428 HydrophobicContact CB-CG 4.46Å; P425-E428 PolarHBondContact O-N 3.25Å; P425-L429 PolarHBondContact O-N 2.99Å
426	F	89.6	Confident	91.5	Very high	39 Å²	39	47.3 Å²	47.3	17%	0.171	27%	0.271	C	S	.	.	H	α-helix	trans	-49.3	-40.7	-178.8	169.9	-100	0	0	0	113.8	L429 C430 L452 F456 V652 L653	F426-L429 PolarHBondContact O-N 3.21Å; F426-C430 VanDerWaalsContact CE2-SG 3.58Å; F426-C430 VanDerWaalsContact CZ-SG 3.51Å; F426-C430 PolarHBondContact O-N 3.27Å; F426-C430 PolarHBondContact O-SG 3.21Å; F426-L452 WeakPolarHBondContact CZ-O 3.22Å; F426-F456 HydrophobicContact CD1-CB 4.47Å; F426-F456 HydrophobicContact CE1-CB 3.58Å; F426-F456 HydrophobicContact CZ-CB 3.66Å; F426-F456 HydrophobicContact CZ-CG 4.47Å; F426-V652 HydrophobicContact CD2-CG1 3.79Å; F426-V652 HydrophobicContact CE2-CG1 3.92Å; F426-L653 HydrophobicContact CE2-CD2 3.61Å; F426-L653 HydrophobicContact CE2-CG 4.49Å; F426-L653 HydrophobicContact CZ-CD2 3.91Å
427	T	88.9	Confident	91.6	Very high	45 Å²	45	46.9 Å²	46.9	28%	0.276	27%	0.267	S	S	.	.	H	α-helix	trans	-61.7	-42	177.4	44.5	0	0	0	0	113.1	P425 D431 R453 S457	P425-T427 PolarHBondContact O-N 2.8Å; P425-T427 VanDerWaalsContact O-N 3.11Å; T427-D431 PolarHBondContact O-N 3.07Å; T427-D431 VanDerWaalsContact O-N 3.07Å; T427-R453 HydrophobicContact CG2-CG 4.38Å; T427-S457 WeakPolarHBondContact CG2-OG 3.46Å
428	E	91.4	Very high	91.7	Very high	97 Å²	97	47.7 Å²	47.7	45%	0.453	27%	0.271	S	S	.	.	H	α-helix	trans	-74.1	-33.8	178.1	-66	-179.2	-150.8	0	0	112.4	K424 P425 H432	K424-E428 HydrophobicContact CB-CB 4.26Å; K424-E428 HydrophobicContact CD-CB 4.18Å; P425-E428 HydrophobicContact CB-CG 4.46Å; P425-E428 PolarHBondContact O-N 3.25Å; E428-H432 VanDerWaalsContact O-CB 3.22Å; E428-H432 WeakPolarHBondContact O-CB 3.33Å; E428-H432 PolarHBondContact O-N 2.91Å
429	L	92	Very high	91.7	Very high	10 Å²	10	50.7 Å²	50.7	5%	0.052	28%	0.282	C	S	.	.	H	α-helix	trans	-61.6	-47.4	172.5	-65.6	175.9	0	0	0	110.5	L420 K424 P425 F426 H432 N433 V652	L420-L429 HydrophobicContact CB-CD2 3.53Å; K424-L429 HydrophobicContact CB-CD2 3.77Å; K424-L429 HydrophobicContact CB-CG 4.01Å; K424-L429 HydrophobicContact CG-CD2 4.48Å; P425-L429 PolarHBondContact O-N 2.99Å; F426-L429 PolarHBondContact O-N 3.21Å; L429-H432 PolarHBondContact O-N 3.29Å; L429-N433 WeakPolarHBondContact O-CB 3.4Å; L429-N433 PolarHBondContact O-N 3.18Å; L429-N433 PolarHBondContact O-ND2 3.11Å; L429-V652 HydrophobicContact CB-CG1 4.21Å; L429-V652 HydrophobicContact CD1-CG1 4.14Å
430	C	92.9	Very high	91.5	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-64.5	-44.3	178	-64.7	0	0	0	0	112.4	F426 H432 N433 A434 W449 R453	F426-C430 VanDerWaalsContact CE2-SG 3.58Å; F426-C430 VanDerWaalsContact CZ-SG 3.51Å; F426-C430 PolarHBondContact O-N 3.27Å; F426-C430 PolarHBondContact O-SG 3.21Å; C430-H432 PolarHBondContact O-N 2.83Å; C430-N433 PolarHBondContact O-N 2.9Å; C430-A434 WeakPolarHBondContact O-CB 3.38Å; C430-A434 PolarHBondContact O-N 3.45Å; C430-W449 HydrophobicContact CB-CE3 4.31Å; C430-R453 HydrophobicContact CB-CB 3.75Å; C430-R453 HydrophobicContact CB-CG 4.44Å
431	D	92.9	Very high	91.3	Very high	59 Å²	59	57.9 Å²	57.9	32%	0.316	31%	0.313	S	S	.	.	H	α-helix	trans	-63.3	-41.5	177.8	-80.8	-6.1	0	0	0	112.4	T427 T435 R453	T427-D431 PolarHBondContact O-N 3.07Å; T427-D431 VanDerWaalsContact O-N 3.07Å; D431-T435 WeakPolarHBondContact O-CB 3.41Å; D431-T435 PolarHBondContact O-N 3.27Å; D431-T435 PolarHBondContact O-OG1 2.89Å; D431-R453 WeakPolarHBondContact OD1-CD 3.28Å; D431-R453 IonicContact OD1-CZ 2.85Å; D431-R453 IonicContact OD1-NE 3.54Å; D431-R453 IonicContact OD1-NH1 2.71Å; D431-R453 PolarHBondContact OD1-NH1 3.31Å; D431-R453 IonicContact OD2-CZ 2.66Å; D431-R453 IonicContact OD2-NE 2.77Å; D431-R453 IonicContact OD2-NH1 3.32Å; D431-R453 PolarHBondContact OD2-NH1 3.35Å; D431-R453 IonicContact OD2-NH2 3.6Å
432	H	95.2	Very high	91.2	Very high	62 Å²	62	59.3 Å²	59.3	29%	0.287	32%	0.318	S	S	.	.	H	α-helix	trans	-64.2	-51.2	176.5	-178.8	95.5	0	0	0	111.2	L418 L420 E428 L429 C430 A434 T435 V436	L418-H432 PolarHBondContact O-NE2 3.31Å; L420-H432 HydrophobicContact CD1-CB 4.41Å; E428-H432 VanDerWaalsContact O-CB 3.22Å; E428-H432 WeakPolarHBondContact O-CB 3.33Å; E428-H432 PolarHBondContact O-N 2.91Å; L429-H432 PolarHBondContact O-N 3.29Å; C430-H432 PolarHBondContact O-N 2.83Å; H432-A434 VanDerWaalsContact C-N 3.31Å; H432-A434 PolarHBondContact O-N 3.33Å; H432-T435 WeakPolarHBondContact O-CB 3.49Å; H432-T435 PolarHBondContact O-N 3.06Å; H432-T435 VanDerWaalsContact O-N 3.13Å; H432-V436 WeakPolarHBondContact O-CG2 3.16Å; H432-V436 PolarHBondContact O-N 3.36Å
433	N	95.4	Very high	91.3	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-67.1	-32	-179.1	-64.3	-12.3	0	0	0	112.2	Y419 L420 L429 C430 A437 W449	Y419-N433 WeakPolarHBondContact CA-OD1 3.31Å; Y419-N433 HydrophobicContact CD1-CB 3.94Å; Y419-N433 HydrophobicContact CE1-CB 3.81Å; Y419-N433 WeakPolarHBondContact CE1-O 3.45Å; Y419-N433 HydrophobicContact CG-CB 4.34Å; L420-N433 PolarHBondContact N-OD1 3.13Å; L420-N433 PolarHBondContact O-ND2 2.85Å; L420-N433 PolarHBondContact O-OD1 2.78Å; L429-N433 WeakPolarHBondContact O-CB 3.4Å; L429-N433 PolarHBondContact O-N 3.18Å; L429-N433 PolarHBondContact O-ND2 3.11Å; C430-N433 PolarHBondContact O-N 2.9Å; N433-A437 VanDerWaalsContact O-CB 3.31Å; N433-A437 WeakPolarHBondContact O-CB 3.49Å; N433-A437 PolarHBondContact O-N 3.37Å; N433-W449 HydrophobicContact CB-CD2 3.71Å; N433-W449 HydrophobicContact CB-CE3 4.26Å; N433-W449 HydrophobicContact CB-CG 3.97Å; N433-W449 HydrophobicContact CB-CH2 4.5Å; N433-W449 HydrophobicContact CB-CZ2 3.97Å
434	A	94.4	Very high	91.6	Very high	6 Å²	6	63.1 Å²	63.1	5%	0.05	32%	0.315	C	S	.	.	H	α-helix	trans	-63.6	-43.1	170.6	0	0	0	0	0	112.1	C430 H432 A437 Q438 S446 W449	C430-A434 WeakPolarHBondContact O-CB 3.38Å; C430-A434 PolarHBondContact O-N 3.45Å; H432-A434 VanDerWaalsContact C-N 3.31Å; H432-A434 PolarHBondContact O-N 3.33Å; A434-A437 PolarHBondContact O-N 3.05Å; A434-Q438 PolarHBondContact O-N 3.4Å; A434-S446 WeakPolarHBondContact O-CB 3.45Å; A434-S446 PolarHBondContact O-OG 3.19Å; A434-W449 HydrophobicContact CB-CB 3.71Å
435	T	95.1	Very high	91.7	Very high	70 Å²	70	59 Å²	59	43%	0.429	30%	0.297	S	S	.	.	H	α-helix	trans	-66.4	-48.6	179	-55.1	0	0	0	0	110.9	D431 H432 A437 Q438 E439	D431-T435 WeakPolarHBondContact O-CB 3.41Å; D431-T435 PolarHBondContact O-N 3.27Å; D431-T435 PolarHBondContact O-OG1 2.89Å; H432-T435 WeakPolarHBondContact O-CB 3.49Å; H432-T435 PolarHBondContact O-N 3.06Å; H432-T435 VanDerWaalsContact O-N 3.13Å; T435-A437 VanDerWaalsContact C-N 3.31Å; T435-A437 PolarHBondContact O-N 3Å; T435-Q438 WeakPolarHBondContact O-CA 3.45Å; T435-Q438 WeakPolarHBondContact O-CB 3.38Å; T435-Q438 PolarHBondContact O-N 2.73Å; T435-E439 PolarHBondContact O-N 3.29Å
436	V	93.2	Very high	91.8	Very high	9 Å²	9	56.1 Å²	56.1	6%	0.055	28%	0.279	C	S	.	.	H	α-helix	trans	-57.5	-43.1	175.5	171.1	0	0	0	0	111.3	L418 Y419 H432 Q438 E439 L440	L418-V436 HydrophobicContact CB-CG1 3.73Å; L418-V436 HydrophobicContact CB-CG2 4.07Å; L418-V436 HydrophobicContact CD1-CG1 4.34Å; Y419-V436 HydrophobicContact CD1-CB 4.13Å; Y419-V436 HydrophobicContact CD1-CG1 3.83Å; Y419-V436 HydrophobicContact CE1-CB 4.06Å; Y419-V436 HydrophobicContact CE1-CG1 3.88Å; H432-V436 WeakPolarHBondContact O-CG2 3.16Å; H432-V436 PolarHBondContact O-N 3.36Å; V436-Q438 VanDerWaalsContact C-N 3.3Å; V436-Q438 PolarHBondContact O-N 3.26Å; V436-E439 PolarHBondContact O-N 3.25Å; V436-L440 HydrophobicContact CG1-CD1 3.93Å; V436-L440 WeakPolarHBondContact O-CB 3.22Å; V436-L440 WeakPolarHBondContact O-CG 3.31Å; V436-L440 PolarHBondContact O-N 2.91Å
437	A	91.9	Very high	92	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-63.5	-34.3	175.3	0	0	0	0	0	112.8	N433 A434 T435 K441 R442 V445	N433-A437 VanDerWaalsContact O-CB 3.31Å; N433-A437 WeakPolarHBondContact O-CB 3.49Å; N433-A437 PolarHBondContact O-N 3.37Å; A434-A437 PolarHBondContact O-N 3.05Å; T435-A437 VanDerWaalsContact C-N 3.31Å; T435-A437 PolarHBondContact O-N 3Å; A437-K441 PolarHBondContact O-N 3.38Å; A437-R442 HydrophobicContact CB-CB 4.44Å; A437-R442 CarbonylContact O-C 3.54Å; A437-R442 WeakPolarHBondContact O-CA 3.29Å; A437-R442 WeakPolarHBondContact O-CB 3.17Å; A437-R442 PolarHBondContact O-N 3.27Å; A437-V445 HydrophobicContact CB-CB 4.3Å; A437-V445 HydrophobicContact CB-CG1 3.93Å
438	Q	92.3	Very high	92.3	Very high	135 Å²	135	56 Å²	56	63%	0.631	28%	0.281	S	S	*	.	H	α-helix	trans	-69.9	-44.8	177	-167.8	174.8	5.1	0	0	111.9	A434 T435 V436 L440 K441	A434-Q438 PolarHBondContact O-N 3.4Å; T435-Q438 WeakPolarHBondContact O-CA 3.45Å; T435-Q438 WeakPolarHBondContact O-CB 3.38Å; T435-Q438 PolarHBondContact O-N 2.73Å; V436-Q438 VanDerWaalsContact C-N 3.3Å; V436-Q438 PolarHBondContact O-N 3.26Å; Q438-L440 VanDerWaalsContact C-N 3.31Å; Q438-L440 PolarHBondContact O-N 2.88Å; Q438-K441 PolarHBondContact O-N 3.45Å
439	E	91.9	Very high	92.4	Very high	145 Å²	145	51.4 Å²	51.4	68%	0.678	26%	0.26	S	S	*	.	H	α-helix	trans	-60.7	-40	175.5	-69.3	-176.2	171.5	0	0	112	T435 V436 K441	T435-E439 PolarHBondContact O-N 3.29Å; V436-E439 PolarHBondContact O-N 3.25Å; E439-K441 PolarHBondContact O-N 3.37Å
440	L	88.6	Confident	92.5	Very high	36 Å²	36	53.8 Å²	53.8	19%	0.188	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	12.2	175.2	-62.3	176.3	0	0	0	113.8	K414 T415 V436 Q438 R442	K414-L440 HydrophobicContact CB-CD1 3.85Å; K414-L440 HydrophobicContact CB-CD2 3.72Å; K414-L440 HydrophobicContact CB-CG 4.46Å; K414-L440 HydrophobicContact CD-CD2 3.83Å; K414-L440 HydrophobicContact CG-CD2 4.38Å; T415-L440 VanDerWaalsContact OG1-CD1 3.28Å; T415-L440 WeakPolarHBondContact OG1-CD1 3.47Å; V436-L440 HydrophobicContact CG1-CD1 3.93Å; V436-L440 WeakPolarHBondContact O-CB 3.22Å; V436-L440 WeakPolarHBondContact O-CG 3.31Å; V436-L440 PolarHBondContact O-N 2.91Å; Q438-L440 VanDerWaalsContact C-N 3.31Å; Q438-L440 PolarHBondContact O-N 2.88Å; L440-R442 VanDerWaalsContact C-N 3.3Å; L440-R442 HydrophobicContact CB-CG 4.37Å; L440-R442 PolarHBondContact O-N 3.03Å
441	K	88.7	Confident	92.4	Very high	187 Å²	187	58.7 Å²	58.7	81%	0.813	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	59	32.6	177.6	-53.2	178	-177	174.4	0	114.2	A437 Q438 E439 P443	A437-K441 PolarHBondContact O-N 3.38Å; Q438-K441 PolarHBondContact O-N 3.45Å; E439-K441 PolarHBondContact O-N 3.37Å; K441-P443 WeakPolarHBondContact O-CD 3.31Å
442	R	88.9	Confident	92.3	Very high	44 Å²	44	56 Å²	56	17%	0.166	28%	0.284	C	S	.	.			trans	-106.4	66.9	175.8	-48.1	-170.6	79.5	-138.5	-6.4	111.2	W411 A437 L440 Q444 V445 S446 D642	W411-R442 VanDerWaalsContact CE3-CZ 3.49Å; W411-R442 VanDerWaalsContact CE3-NE 3.32Å; W411-R442 VanDerWaalsContact CZ3-NH1 3.31Å; A437-R442 HydrophobicContact CB-CB 4.44Å; A437-R442 CarbonylContact O-C 3.54Å; A437-R442 WeakPolarHBondContact O-CA 3.29Å; A437-R442 WeakPolarHBondContact O-CB 3.17Å; A437-R442 PolarHBondContact O-N 3.27Å; L440-R442 VanDerWaalsContact C-N 3.3Å; L440-R442 HydrophobicContact CB-CG 4.37Å; L440-R442 PolarHBondContact O-N 3.03Å; R442-Q444 VanDerWaalsContact C-N 3.29Å; R442-Q444 PolarHBondContact O-N 3.44Å; R442-V445 HydrophobicContact CB-CB 4.16Å; R442-V445 HydrophobicContact CB-CG2 4.47Å; R442-V445 PolarHBondContact O-N 3.41Å; R442-S446 PolarHBondContact O-N 2.96Å; R442-D642 IonicContact CZ-OD2 2.7Å; R442-D642 IonicContact NH1-OD1 2.66Å; R442-D642 IonicContact NH1-OD2 3.57Å; R442-D642 PolarHBondContact NH1-OD2 2.86Å; R442-D642 VanDerWaalsContact NH1-OD2 3.14Å; R442-D642 IonicContact NH2-OD1 3.92Å; R442-D642 IonicContact NH2-OD2 3.4Å; R442-D642 PolarHBondContact NH2-OD2 3.42Å
443	P	90.4	Very high	92.1	Very high	85 Å²	85	57.3 Å²	57.3	55%	0.552	29%	0.287	S	S	*	.	H	α-helix	trans	-64.6	-27.3	-170.9	27.2	-36.7	0	0	0	114.3	K441 T447	K441-P443 WeakPolarHBondContact O-CD 3.31Å; P443-T447 WeakPolarHBondContact O-CB 3.27Å; P443-T447 PolarHBondContact O-N 2.9Å; P443-T447 PolarHBondContact O-OG1 3.36Å
444	Q	89.4	Confident	91.7	Very high	134 Å²	134	63.5 Å²	63.5	63%	0.626	32%	0.318	S	S	*	.	H	α-helix	trans	-65.6	-51	175.1	-68.9	176.6	-8.3	0	0	110.9	R442 S446 T447 T448	R442-Q444 VanDerWaalsContact C-N 3.29Å; R442-Q444 PolarHBondContact O-N 3.44Å; Q444-S446 PolarHBondContact O-N 3.1Å; Q444-T447 WeakPolarHBondContact O-CB 3.32Å; Q444-T447 PolarHBondContact O-N 2.89Å; Q444-T447 VanDerWaalsContact O-N 3.16Å; Q444-T448 PolarHBondContact O-N 2.62Å; Q444-T448 PolarHBondContact O-OG1 2.8Å
445	V	91.7	Very high	91.4	Very high	4 Å²	4	65 Å²	65	2%	0.024	33%	0.325	C	S	.	.	H	α-helix	trans	-63.6	-40.7	177.4	172.1	0	0	0	0	111.5	Y419 A437 R442 T447 T448 W449 Y637 M645	Y419-V445 VanDerWaalsContact OH-CG1 3.23Å; Y419-V445 WeakPolarHBondContact OH-CG1 3.3Å; A437-V445 HydrophobicContact CB-CB 4.3Å; A437-V445 HydrophobicContact CB-CG1 3.93Å; R442-V445 HydrophobicContact CB-CB 4.16Å; R442-V445 HydrophobicContact CB-CG2 4.47Å; R442-V445 PolarHBondContact O-N 3.41Å; V445-T447 VanDerWaalsContact C-N 3.34Å; V445-T447 PolarHBondContact O-N 2.89Å; V445-T448 WeakPolarHBondContact O-CB 3.33Å; V445-T448 PolarHBondContact O-N 2.83Å; V445-W449 VanDerWaalsContact O-CD1 3.26Å; V445-W449 PolarHBondContact O-N 3.04Å; V445-Y637 HydrophobicContact CG2-CE1 3.8Å; V445-M645 HydrophobicContact CG1-CE 4.04Å; V445-M645 HydrophobicContact CG1-CG 4.38Å; V445-M645 HydrophobicContact CG1-SD 3.72Å
446	S	93.3	Very high	90.8	Very high	12 Å²	12	61.8 Å²	61.8	8%	0.084	31%	0.305	C	S	.	.	H	α-helix	trans	-56.8	-46.9	172.2	-178.3	0	0	0	0	111.8	A434 R442 Q444 T448 W449 T450	A434-S446 WeakPolarHBondContact O-CB 3.45Å; A434-S446 PolarHBondContact O-OG 3.19Å; R442-S446 PolarHBondContact O-N 2.96Å; Q444-S446 PolarHBondContact O-N 3.1Å; S446-T448 PolarHBondContact O-N 2.86Å; S446-W449 PolarHBondContact O-N 3.41Å; S446-T450 PolarHBondContact O-N 3.38Å; S446-T450 VanDerWaalsContact O-N 3.16Å; S446-T450 PolarHBondContact O-OG1 3.21Å
447	T	93.5	Very high	90.3	Very high	70 Å²	70	63.6 Å²	63.6	43%	0.429	32%	0.318	S	S	.	.	H	α-helix	trans	-63.8	-39.8	176.8	-58.1	0	0	0	0	112	P443 Q444 V445 T450 M451	P443-T447 WeakPolarHBondContact O-CB 3.27Å; P443-T447 PolarHBondContact O-N 2.9Å; P443-T447 PolarHBondContact O-OG1 3.36Å; Q444-T447 WeakPolarHBondContact O-CB 3.32Å; Q444-T447 PolarHBondContact O-N 2.89Å; Q444-T447 VanDerWaalsContact O-N 3.16Å; V445-T447 VanDerWaalsContact C-N 3.34Å; V445-T447 PolarHBondContact O-N 2.89Å; T447-T450 PolarHBondContact O-N 3.27Å; T447-M451 HydrophobicContact CG2-CE 3.85Å; T447-M451 HydrophobicContact CG2-CG 4.47Å; T447-M451 HydrophobicContact CG2-SD 4.19Å; T447-M451 WeakPolarHBondContact O-CG 3.47Å; T447-M451 PolarHBondContact O-N 2.88Å
448	T	94.1	Very high	89.1	Confident	11 Å²	11	69.1 Å²	69.1	7%	0.067	35%	0.347	C	S	.	.	H	α-helix	trans	-59	-45.7	174.2	-67.5	0	0	0	0	111.8	Q444 V445 S446 T450 M451 L452 M633 Y637 M645	Q444-T448 PolarHBondContact O-N 2.62Å; Q444-T448 PolarHBondContact O-OG1 2.8Å; V445-T448 WeakPolarHBondContact O-CB 3.33Å; V445-T448 PolarHBondContact O-N 2.83Å; S446-T448 PolarHBondContact O-N 2.86Å; T448-T450 VanDerWaalsContact C-N 3.33Å; T448-T450 PolarHBondContact O-N 3.27Å; T448-M451 PolarHBondContact O-N 3.35Å; T448-L452 HydrophobicContact CG2-CD1 3.9Å; T448-L452 HydrophobicContact CG2-CG 4.26Å; T448-L452 WeakPolarHBondContact O-CG 3.03Å; T448-L452 PolarHBondContact O-N 3.34Å; T448-M633 HydrophobicContact CG2-CE 3.65Å; T448-M633 HydrophobicContact CG2-SD 3.42Å; T448-M633 WeakPolarHBondContact CG2-SD 3.31Å; T448-Y637 HydrophobicContact CG2-CE2 4.1Å; T448-Y637 PolarHBondContact OG1-OH 3.39Å; T448-M645 HydrophobicContact CG2-CE 3.33Å
449	W	95	Very high	87.3	Confident	1 Å²	1	67.9 Å²	67.9	0%	0.004	35%	0.351	C	S	.	.	H	α-helix	trans	-61.4	-39.9	176.1	-77.3	113.6	0	0	0	112.5	Y419 C430 N433 A434 V445 S446 L452 R453 M645 V649 V652	Y419-W449 HydrophobicContact CD2-CZ2 4.29Å; Y419-W449 AromaticContact CE2-CZ2 3.87Å; Y419-W449 HydrophobicContact CE2-CZ2 3.87Å; Y419-W449 AromaticContact CE2-NE1 3.62Å; Y419-W449 AromaticContact CZ-NE1 3.36Å; Y419-W449 PolarHBondContact OH-NE1 2.98Å; C430-W449 HydrophobicContact CB-CE3 4.31Å; N433-W449 HydrophobicContact CB-CD2 3.71Å; N433-W449 HydrophobicContact CB-CE3 4.26Å; N433-W449 HydrophobicContact CB-CG 3.97Å; N433-W449 HydrophobicContact CB-CH2 4.5Å; N433-W449 HydrophobicContact CB-CZ2 3.97Å; A434-W449 HydrophobicContact CB-CB 3.71Å; V445-W449 VanDerWaalsContact O-CD1 3.26Å; V445-W449 PolarHBondContact O-N 3.04Å; S446-W449 PolarHBondContact O-N 3.41Å; W449-L452 HydrophobicContact CE3-CD1 4.24Å; W449-L452 PolarHBondContact O-N 3.12Å; W449-R453 PolarHBondContact O-N 3.14Å; W449-M645 HydrophobicContact CD2-CE 4.2Å; W449-M645 HydrophobicContact CG-CE 4.24Å; W449-M645 HydrophobicContact CZ2-CE 4.38Å; W449-M645 HydrophobicContact CZ2-SD 4.07Å; W449-V649 HydrophobicContact CH2-CG2 3.74Å; W449-V649 HydrophobicContact CZ2-CG2 3.91Å; W449-V649 HydrophobicContact CZ3-CG2 4.06Å; W449-V652 HydrophobicContact CH2-CB 4.15Å; W449-V652 HydrophobicContact CH2-CG1 4.48Å; W449-V652 HydrophobicContact CH2-CG2 4Å; W449-V652 HydrophobicContact CZ3-CB 4.1Å; W449-V652 HydrophobicContact CZ3-CG1 3.97Å; W449-V652 HydrophobicContact CZ3-CG2 4.29Å
450	T	92.6	Very high	85	Confident	60 Å²	60	65.3 Å²	65.3	37%	0.368	35%	0.354	S	S	.	.	H	α-helix	trans	-64.6	-38.9	173.8	-51.1	0	0	0	0	112.5	S446 T447 T448 R453 I454	S446-T450 PolarHBondContact O-N 3.38Å; S446-T450 VanDerWaalsContact O-N 3.16Å; S446-T450 PolarHBondContact O-OG1 3.21Å; T447-T450 PolarHBondContact O-N 3.27Å; T448-T450 VanDerWaalsContact C-N 3.33Å; T448-T450 PolarHBondContact O-N 3.27Å; T450-R453 WeakPolarHBondContact O-CB 3.12Å; T450-R453 PolarHBondContact O-N 2.97Å; T450-I454 HydrophobicContact CG2-CD1 4.28Å; T450-I454 WeakPolarHBondContact O-CG1 3.45Å; T450-I454 PolarHBondContact O-N 2.72Å; T450-I454 VanDerWaalsContact O-N 3.15Å
451	M	91.3	Very high	82.8	Confident	102 Å²	102	69.9 Å²	69.9	50%	0.502	39%	0.386	S	S	.	.	H	α-helix	trans	-64.7	-47.7	174.8	-73.7	174.4	169.2	0	0	111.5	T447 T448 R453 I454 M455	T447-M451 HydrophobicContact CG2-CE 3.85Å; T447-M451 HydrophobicContact CG2-CG 4.47Å; T447-M451 HydrophobicContact CG2-SD 4.19Å; T447-M451 WeakPolarHBondContact O-CG 3.47Å; T447-M451 PolarHBondContact O-N 2.88Å; T448-M451 PolarHBondContact O-N 3.35Å; M451-R453 VanDerWaalsContact C-N 3.3Å; M451-R453 PolarHBondContact O-N 3.38Å; M451-I454 PolarHBondContact O-N 3.33Å; M451-M455 HydrophobicContact CB-SD 4.04Å; M451-M455 WeakPolarHBondContact O-CB 3.49Å; M451-M455 VanDerWaalsContact O-CG 3.27Å; M451-M455 WeakPolarHBondContact O-CG 3.28Å; M451-M455 PolarHBondContact O-N 3.02Å; M451-M455 VanDerWaalsContact O-SD 3.36Å
452	L	91.3	Very high	80.2	Confident	2 Å²	2	63.9 Å²	63.9	1%	0.01	38%	0.377	C	S	.	.	H	α-helix	trans	-58.5	-41	176.5	-71.2	171.3	0	0	0	111.9	F426 T448 W449 I454 M455 F456 V630 M633 V649 L653	F426-L452 WeakPolarHBondContact CZ-O 3.22Å; T448-L452 HydrophobicContact CG2-CD1 3.9Å; T448-L452 HydrophobicContact CG2-CG 4.26Å; T448-L452 WeakPolarHBondContact O-CG 3.03Å; T448-L452 PolarHBondContact O-N 3.34Å; W449-L452 HydrophobicContact CE3-CD1 4.24Å; W449-L452 PolarHBondContact O-N 3.12Å; L452-I454 PolarHBondContact O-N 2.84Å; L452-M455 PolarHBondContact O-N 3.34Å; L452-F456 HydrophobicContact CD2-CD2 4.49Å; L452-F456 HydrophobicContact CD2-CE2 4.24Å; L452-F456 WeakPolarHBondContact O-CD2 3.32Å; L452-F456 PolarHBondContact O-N 3.38Å; L452-F456 VanDerWaalsContact O-N 3.13Å; L452-V630 HydrophobicContact CD2-CG1 4.18Å; L452-V630 HydrophobicContact CD2-CG2 3.9Å; L452-M633 HydrophobicContact CD1-CE 4.35Å; L452-M633 HydrophobicContact CD2-CE 4.23Å; L452-V649 HydrophobicContact CD1-CB 4.23Å; L452-V649 HydrophobicContact CD1-CG1 3.58Å; L452-V649 HydrophobicContact CD1-CG2 3.54Å; L452-V649 HydrophobicContact CD2-CG1 4.36Å; L452-L653 HydrophobicContact CD2-CD1 4.26Å
453	R	90.8	Very high	77.8	Confident	91 Å²	91	67.4 Å²	67.4	34%	0.343	41%	0.406	S	S	.	.	H	α-helix	trans	-53.9	-54.5	170.3	-178.9	179.6	169.6	-169.8	7.7	110.7	T427 C430 D431 W449 T450 M451 M455 F456 S457	T427-R453 HydrophobicContact CG2-CG 4.38Å; C430-R453 HydrophobicContact CB-CB 3.75Å; C430-R453 HydrophobicContact CB-CG 4.44Å; D431-R453 WeakPolarHBondContact OD1-CD 3.28Å; D431-R453 IonicContact OD1-CZ 2.85Å; D431-R453 IonicContact OD1-NE 3.54Å; D431-R453 IonicContact OD1-NH1 2.71Å; D431-R453 PolarHBondContact OD1-NH1 3.31Å; D431-R453 IonicContact OD2-CZ 2.66Å; D431-R453 IonicContact OD2-NE 2.77Å; D431-R453 IonicContact OD2-NH1 3.32Å; D431-R453 PolarHBondContact OD2-NH1 3.35Å; D431-R453 IonicContact OD2-NH2 3.6Å; W449-R453 PolarHBondContact O-N 3.14Å; T450-R453 WeakPolarHBondContact O-CB 3.12Å; T450-R453 PolarHBondContact O-N 2.97Å; M451-R453 VanDerWaalsContact C-N 3.3Å; M451-R453 PolarHBondContact O-N 3.38Å; R453-M455 VanDerWaalsContact C-N 3.31Å; R453-M455 PolarHBondContact O-N 2.68Å; R453-F456 PolarHBondContact O-N 3.29Å; R453-S457 VanDerWaalsContact O-CB 3.25Å; R453-S457 WeakPolarHBondContact O-CB 3.19Å; R453-S457 PolarHBondContact O-N 2.9Å; R453-S457 PolarHBondContact O-OG 3.38Å
454	I	87.8	Confident	75.4	Confident	129 Å²	129	71 Å²	71	66%	0.662	42%	0.421	S	S	*	.	H	α-helix	trans	-63	-37.4	-176	-66.5	164.4	0	0	0	111.7	T450 M451 L452	T450-I454 HydrophobicContact CG2-CD1 4.28Å; T450-I454 WeakPolarHBondContact O-CG1 3.45Å; T450-I454 PolarHBondContact O-N 2.72Å; T450-I454 VanDerWaalsContact O-N 3.15Å; M451-I454 PolarHBondContact O-N 3.33Å; L452-I454 PolarHBondContact O-N 2.84Å
455	M	87.1	Confident	72.6	Confident	37 Å²	37	73.1 Å²	73.1	18%	0.182	43%	0.43	C	S	.	.	H	α-helix	trans	-76.3	-24.4	-175.8	-69.4	153.8	67.3	0	0	114.2	M451 L452 R453 F626 V630	M451-M455 HydrophobicContact CB-SD 4.04Å; M451-M455 WeakPolarHBondContact O-CB 3.49Å; M451-M455 VanDerWaalsContact O-CG 3.27Å; M451-M455 WeakPolarHBondContact O-CG 3.28Å; M451-M455 PolarHBondContact O-N 3.02Å; M451-M455 VanDerWaalsContact O-SD 3.36Å; L452-M455 PolarHBondContact O-N 3.34Å; R453-M455 VanDerWaalsContact C-N 3.31Å; R453-M455 PolarHBondContact O-N 2.68Å; M455-F626 HydrophobicContact CB-CB 4.35Å; M455-F626 HydrophobicContact CB-CD1 4.46Å; M455-F626 HydrophobicContact CB-CD2 3.89Å; M455-F626 HydrophobicContact CB-CE2 4.29Å; M455-F626 HydrophobicContact CB-CG 3.98Å; M455-F626 HydrophobicContact CE-CB 3.69Å; M455-F626 HydrophobicContact CE-CD1 3.91Å; M455-F626 HydrophobicContact CE-CG 3.96Å; M455-F626 HydrophobicContact CG-CD1 3.99Å; M455-F626 HydrophobicContact CG-CD2 4.24Å; M455-F626 HydrophobicContact CG-CE1 4.18Å; M455-F626 HydrophobicContact CG-CE2 4.42Å; M455-F626 HydrophobicContact CG-CG 4.03Å; M455-F626 HydrophobicContact CG-CZ 4.38Å; M455-F626 WeakPolarHBondContact O-CD2 3.36Å; M455-V630 HydrophobicContact CE-CG2 3.63Å
456	F	84	Confident	69.7	Low	4 Å²	4	78 Å²	78	2%	0.018	46%	0.464	C	S	.	.	H	α-helix	trans	-125.7	8.5	-175.3	-63.9	-95.1	0	0	0	114.4	F426 L452 R453 D458 A623 F626 V630 L653 R656	F426-F456 HydrophobicContact CD1-CB 4.47Å; F426-F456 HydrophobicContact CE1-CB 3.58Å; F426-F456 HydrophobicContact CZ-CB 3.66Å; F426-F456 HydrophobicContact CZ-CG 4.47Å; L452-F456 HydrophobicContact CD2-CD2 4.49Å; L452-F456 HydrophobicContact CD2-CE2 4.24Å; L452-F456 WeakPolarHBondContact O-CD2 3.32Å; L452-F456 PolarHBondContact O-N 3.38Å; L452-F456 VanDerWaalsContact O-N 3.13Å; R453-F456 PolarHBondContact O-N 3.29Å; F456-D458 PolarHBondContact O-N 3.19Å; F456-A623 HydrophobicContact CD1-CB 3.75Å; F456-A623 HydrophobicContact CE1-CB 4Å; F456-F626 HydrophobicContact CE2-CB 4.29Å; F456-F626 HydrophobicContact CZ-CB 4.14Å; F456-V630 HydrophobicContact CE2-CG2 3.73Å; F456-V630 HydrophobicContact CZ-CG2 3.95Å; F456-L653 HydrophobicContact CB-CD2 4.33Å; F456-L653 HydrophobicContact CD1-CD2 4.03Å; F456-L653 HydrophobicContact CD2-CD2 3.95Å; F456-L653 HydrophobicContact CE1-CD2 4.35Å; F456-L653 HydrophobicContact CE2-CD2 4.31Å; F456-L653 HydrophobicContact CG-CD2 3.84Å; F456-L653 HydrophobicContact CZ-CD2 4.49Å; F456-R656 HydrophobicContact CD1-CB 4.45Å; F456-R656 HydrophobicContact CE1-CB 4.49Å; F456-R656 PolarHBondContact O-NH1 3.04Å
457	S	82.4	Confident	66.8	Low	47 Å²	47	85.9 Å²	85.9	33%	0.329	51%	0.505	S	S	.	.	P	Polyproline II helix	trans	-74.2	118.4	173	-69.4	0	0	0	0	111.8	T427 R453	T427-S457 WeakPolarHBondContact CG2-OG 3.46Å; R453-S457 VanDerWaalsContact O-CB 3.25Å; R453-S457 WeakPolarHBondContact O-CB 3.19Å; R453-S457 PolarHBondContact O-N 2.9Å; R453-S457 PolarHBondContact O-OG 3.38Å
458	D	65.5	Low	63.6	Low	115 Å²	115	88 Å²	88	62%	0.615	52%	0.522	S	S	*	.	P	Polyproline II helix	trans	-72.9	137.5	165.9	-60.7	-69.2	0	0	0	110.1	F456 A460 R656	F456-D458 PolarHBondContact O-N 3.19Å; D458-A460 PolarHBondContact O-N 3.43Å; D458-R656 IonicContact OD2-CZ 3.19Å; D458-R656 IonicContact OD2-NH1 2.72Å; D458-R656 PolarHBondContact OD2-NH1 3.23Å; D458-R656 IonicContact OD2-NH2 3.91Å; D458-R656 PolarHBondContact OD2-NH2 3.47Å
459	P	55.1	Low	60.7	Low	110 Å²	110	97.1 Å²	97.1	71%	0.714	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-70.9	124.2	-176.9	27.5	-33.9	0	0	0	111.5
460	A	44.5	Very low	57.5	Low	90 Å²	90	105.7 Å²	105.7	74%	0.744	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-65.3	140.3	178.5	0	0	0	0	0	111.9	D458 G462	D458-A460 PolarHBondContact O-N 3.43Å; A460-G462 PolarHBondContact O-N 2.87Å
461	P	41.4	Very low	54.4	Low	132 Å²	132	106 Å²	106	86%	0.857	62%	0.622	S	S	*	*			trans	-69	98.7	174	28.5	-33.6	0	0	0	109.9
462	G	34.5	Very low	51.4	Low	61 Å²	61	107 Å²	107	63%	0.629	64%	0.638	S	S	*	*			trans	-65.2	138.3	-176.2	0	0	0	0	0	113	A460	A460-G462 PolarHBondContact O-N 2.87Å
463	P	39.1	Very low	48.4	Very low	119 Å²	119	114.7 Å²	114.7	77%	0.773	68%	0.679	S	S	*	*			trans	-69.5	139.9	173.9	29.3	-34	0	0	0	111	H465	P463-H465 PolarHBondContact O-N 3.34Å
464	N	38.7	Very low	45.5	Very low	161 Å²	161	116.1 Å²	116.1	86%	0.861	70%	0.7	S	S	*	*			trans	-63.2	99.9	179.7	-77.8	-39.9	0	0	0	112.3
465	H	31.8	Very low	42.7	Very low	178 Å²	178	118 Å²	118	82%	0.824	71%	0.71	S	S	*	*			trans	-138.6	132.9	161.1	-92.4	-69.5	0	0	0	114.4	P463	P463-H465 PolarHBondContact O-N 3.34Å
466	S	29.9	Very low	40.1	Very low	105 Å²	105	124.6 Å²	124.6	73%	0.734	74%	0.743	S	S	*	*			trans	-43.2	139.9	177.1	49.2	0	0	0	0	116.5
467	L	32.9	Very low	37.4	Very low	178 Å²	178	131.9 Å²	131.9	93%	0.932	78%	0.782	S	S	*	*			trans	-56.3	134.9	170.7	-71.9	74	0	0	0	112.5
468	S	26.7	Very low	35	Very low	114 Å²	114	134.4 Å²	134.4	80%	0.797	80%	0.799	S	S	*	*			trans	-151.7	123.8	142.2	62.1	0	0	0	0	113.5
469	K	32.6	Very low	33.1	Very low	203 Å²	203	139.1 Å²	139.1	88%	0.883	82%	0.815	S	S	*	*			trans	15.3	107.9	160.2	-64.3	177	176.1	177.5	0	120.1
470	L	27.6	Very low	31.7	Very low	182 Å²	182	139.3 Å²	139.3	95%	0.953	82%	0.819	S	S	*	*				-163.4	155.9	112.4	-122.7	65.9	0	0	0	105.7
471	G	27.5	Very low	30.7	Very low	67 Å²	67	144 Å²	144	69%	0.691	83%	0.827	S	S	*	*			cis	170.5	112.9	4.8	0	0	0	0	0	104.1
472	S	29	Very low	29.9	Very low	122 Å²	122	145.4 Å²	145.4	85%	0.853	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-77.5	128.8	-156.9	53.3	0	0	0	0	115
473	L	27.5	Very low	29.4	Very low	164 Å²	164	149.3 Å²	149.3	86%	0.859	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-85.4	141.2	156.4	-71.4	170.1	0	0	0	109.8
474	P	31.1	Very low	28.7	Very low	121 Å²	121	152.8 Å²	152.8	79%	0.786	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-81.2	138.5	-179.1	32.2	-33.9	0	0	0	112.1
475	L	27.6	Very low	28.1	Very low	168 Å²	168	148.4 Å²	148.4	88%	0.88	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-83	162.1	163.9	-96.7	161.8	0	0	0	111.1
476	M	33.8	Very low	28.2	Very low	176 Å²	176	145.9 Å²	145.9	87%	0.867	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-62.3	157.2	-166.2	-60.7	162.3	73.3	0	0	113.8
477	N	27.2	Very low	28	Very low	156 Å²	156	149.7 Å²	149.7	83%	0.834	83%	0.829	S	S	*	*			trans	-128.2	147.6	151.2	-121.1	-21.6	0	0	0	109.8
478	S	30.6	Very low	27.6	Very low	100 Å²	100	146.8 Å²	146.8	70%	0.699	82%	0.823	S	S	*	*			trans	-84	156	-169.9	50.7	0	0	0	0	113.1
479	F	25.9	Very low	27.4	Very low	214 Å²	214	150.8 Å²	150.8	94%	0.939	82%	0.821	S	S	*	*			trans	-138.4	143.9	157.2	-87.6	-72.4	0	0	0	111.6
480	S	25.2	Very low	27.1	Very low	115 Å²	115	148.2 Å²	148.2	80%	0.804	82%	0.816	S	S	*	*			trans	-94	150.1	-179.3	-173.6	0	0	0	0	110.9
481	M	24.2	Very low	26.9	Very low	187 Å²	187	145.8 Å²	145.8	92%	0.921	80%	0.8	S	S	*	*			trans	-101.5	112.5	177.7	-86.1	-88.4	-81.2	0	0	110.6
482	K	24.8	Very low	26.7	Very low	162 Å²	162	152.8 Å²	152.8	70%	0.704	81%	0.805	S	S	*	*			trans	-145.1	129.5	168.1	-141.6	-179.1	-178.3	-79.3	0	111.1
483	E	24.5	Very low	26.6	Very low	144 Å²	144	151.5 Å²	151.5	67%	0.673	80%	0.796	S	S	*	*			trans	59.8	106.1	154.8	-73.7	155	173.5	0	0	121.5
484	M	24	Very low	26.5	Very low	192 Å²	192	151.2 Å²	151.2	95%	0.946	79%	0.787	S	S	*	*			trans	78.9	149.9	135.5	-78.7	166.2	166.5	0	0	121.8
485	G	26.6	Very low	26.1	Very low	69 Å²	69	148.2 Å²	148.2	71%	0.711	78%	0.778	S	S	*	*			trans	-94.9	-147	-178.6	0	0	0	0	0	113.8
486	P	33	Very low	26	Very low	125 Å²	125	147.6 Å²	147.6	81%	0.812	77%	0.771	S	S	*	*				-147	165	65.4	40.3	-22.8	0	0	0	118.2
487	E	25.4	Very low	25.4	Very low	184 Å²	184	144.9 Å²	144.9	86%	0.86	77%	0.769	S	S	*	*			trans	44.9	154	144.4	-67	-157.9	140.4	0	0	125.8
488	S	24.8	Very low	25.2	Very low	117 Å²	117	148.6 Å²	148.6	82%	0.818	77%	0.771	S	S	*	*			trans	94.9	135.5	152.5	79.8	0	0	0	0	118.4
489	R	23.4	Very low	25.7	Very low	198 Å²	198	149 Å²	149	75%	0.747	77%	0.771	S	S	*	*			cis	-165.5	166.7	-14.7	178.1	167	177.8	-178.3	-1.6	110.8	E491	R489-E491 IonicContact CZ-OE1 3.77Å; R489-E491 IonicContact NE-OE1 2.77Å; R489-E491 PolarHBondContact NE-OE1 2.81Å; R489-E491 IonicContact NH2-OE1 3.22Å; R489-E491 PolarHBondContact NH2-OE1 3.11Å
490	L	24.8	Very low	25.7	Very low	150 Å²	150	145.1 Å²	145.1	79%	0.785	76%	0.761	S	S	*	*			trans	101.7	100.6	174	-59.8	162.6	0	0	0	112.1
491	E	23.7	Very low	25.7	Very low	130 Å²	130	145.1 Å²	145.1	61%	0.607	75%	0.751	S	S	*	*				79.7	142.5	52.5	-64.1	-176.7	-137.1	0	0	114.4	R489	R489-E491 IonicContact CZ-OE1 3.77Å; R489-E491 IonicContact NE-OE1 2.77Å; R489-E491 PolarHBondContact NE-OE1 2.81Å; R489-E491 IonicContact NH2-OE1 3.22Å; R489-E491 PolarHBondContact NH2-OE1 3.11Å
492	R	24.4	Very low	25.8	Very low	214 Å²	214	141.9 Å²	141.9	81%	0.808	74%	0.742	S	S	*	*			cis	-177	164.2	-27.5	-160.2	-175.3	162.5	-169.6	-3.7	110.1
493	C	25.7	Very low	25.8	Very low	96 Å²	96	142 Å²	142	65%	0.649	75%	0.745	S	S	*	*			trans	75.8	155.4	161	-66.9	0	0	0	0	116.7
494	K	25	Very low	25.8	Very low	158 Å²	158	143.2 Å²	143.2	69%	0.687	76%	0.755	S	S	*	*			cis	-154.2	173.6	-13	-125.8	-160.5	178.6	-159.8	0	107.5	E496	K494-E496 VanDerWaalsContact CE-CD 3.48Å; K494-E496 WeakPolarHBondContact CE-OE1 3.45Å; K494-E496 WeakPolarHBondContact CE-OE2 3.47Å; K494-E496 IonicContact NZ-OE1 2.91Å; K494-E496 PolarHBondContact NZ-OE1 2.96Å; K494-E496 IonicContact NZ-OE2 3.73Å; K494-E496 PolarHBondContact NZ-OE2 3.33Å
495	G	24.5	Very low	25.6	Very low	57 Å²	57	141.8 Å²	141.8	59%	0.588	75%	0.746	S	S	*	*			cis	-160.8	161.1	-2.7	0	0	0	0	0	108.7
496	E	24	Very low	26.5	Very low	155 Å²	155	144 Å²	144	72%	0.724	75%	0.748	S	S	*	*				65.2	131.1	101	-70.8	166.8	-176.4	0	0	115.1	K494	K494-E496 VanDerWaalsContact CE-CD 3.48Å; K494-E496 WeakPolarHBondContact CE-OE1 3.45Å; K494-E496 WeakPolarHBondContact CE-OE2 3.47Å; K494-E496 IonicContact NZ-OE1 2.91Å; K494-E496 PolarHBondContact NZ-OE1 2.96Å; K494-E496 IonicContact NZ-OE2 3.73Å; K494-E496 PolarHBondContact NZ-OE2 3.33Å
497	S	22.6	Very low	26.1	Very low	119 Å²	119	142 Å²	142	83%	0.832	75%	0.75	S	S	*	*			cis	-157	167.6	6.4	57	0	0	0	0	114.8
498	R	22.6	Very low	26.1	Very low	235 Å²	235	140.8 Å²	140.8	89%	0.887	75%	0.749	S	S	*	*			trans	-65.3	-179.5	170.1	-101.4	-173.6	-179.8	178.1	-1.2	113.9
499	P	41.4	Very low	26.1	Very low	107 Å²	107	139.1 Å²	139.1	70%	0.695	74%	0.738	S	S	*	*			cis	-123.3	-151.6	8.1	37.9	-16.3	0	0	0	112.1
500	D	24.1	Very low	26.1	Very low	134 Å²	134	137.2 Å²	137.2	72%	0.717	74%	0.737	S	S	*	*			cis	-167.4	178.2	0.9	-133.5	11.2	0	0	0	108
501	N	26.5	Very low	26.2	Very low	114 Å²	114	137.1 Å²	137.1	61%	0.61	74%	0.736	S	S	*	*			cis	-163.1	-179	-12.1	-152.3	-42.1	0	0	0	109.4
502	V	26.9	Very low	26.2	Very low	120 Å²	120	134.9 Å²	134.9	73%	0.727	73%	0.734	S	S	*	*			trans	63	102.1	164.4	-165.4	0	0	0	0	118.2
503	H	24.5	Very low	26.2	Very low	163 Å²	163	131.5 Å²	131.5	76%	0.755	73%	0.732	S	S	*	*				77.2	119.7	62.8	-92.3	-78.2	0	0	0	117.8
504	L	23.5	Very low	26.2	Very low	171 Å²	171	132.6 Å²	132.6	90%	0.895	73%	0.732	S	S	*	*			trans	-168.9	125.4	132.6	-110.6	168.2	0	0	0	111.5
505	E	20.6	Very low	26.4	Very low	162 Å²	162	130.2 Å²	130.2	76%	0.757	73%	0.727	S	S	*	*			trans	172.4	160.9	179.4	-103.2	-84.3	131.3	0	0	106.3
506	P	45	Very low	26.8	Very low	116 Å²	116	135.2 Å²	135.2	75%	0.753	74%	0.735	S	S	*	*				-119.4	-166.4	-56.3	38.5	-24	0	0	0	110.9
507	G	24.8	Very low	27	Very low	82 Å²	82	136.4 Å²	136.4	85%	0.845	74%	0.74	S	S	*	*			trans	-173.2	128.9	170.4	0	0	0	0	0	113.9
508	N	24.4	Very low	27.3	Very low	158 Å²	158	136.4 Å²	136.4	85%	0.845	73%	0.731	S	S	*	*			trans	-127.9	164.8	-170.9	-165.3	8.3	0	0	0	112.3
509	S	25.6	Very low	27.8	Very low	83 Å²	83	132.1 Å²	132.1	58%	0.58	72%	0.721	S	S	*	*			trans	101.9	137.4	143.6	80.2	0	0	0	0	122.5
510	H	23.5	Very low	27.2	Very low	158 Å²	158	135 Å²	135	73%	0.731	73%	0.725	S	S	*	*			trans	101	117.7	138.8	-73.3	-49.8	0	0	0	123.3
511	I	25.9	Very low	27.4	Very low	148 Å²	148	133.9 Å²	133.9	76%	0.759	72%	0.723	S	S	*	*			trans	80.8	128	131.2	-71.7	170.3	0	0	0	116.8
512	S	24.5	Very low	27.4	Very low	83 Å²	83	137.7 Å²	137.7	58%	0.58	74%	0.737	S	S	*	*			cis	-172.6	153.8	-2.3	51.1	0	0	0	0	113.4
513	N	25.4	Very low	27.4	Very low	142 Å²	142	136 Å²	136	76%	0.759	74%	0.744	S	S	*	*			trans	58.6	142.9	140.1	-69	49.3	0	0	0	119.4
514	N	25.2	Very low	27.5	Very low	119 Å²	119	133.1 Å²	133.1	64%	0.636	74%	0.742	S	S	*	*			cis	-157.9	150.9	23.4	-123.5	23.4	0	0	0	110.2
515	N	29.5	Very low	27.6	Very low	109 Å²	109	132.5 Å²	132.5	58%	0.583	74%	0.74	S	S	*	*				44.3	141.5	129	-60.2	36.9	0	0	0	120.6
516	E	31.8	Very low	27.8	Very low	162 Å²	162	127.8 Å²	127.8	76%	0.757	74%	0.735	S	S	*	*			cis	-149.6	179.2	7.5	-107	131.9	-168.2	0	0	107
517	E	28.5	Very low	27.1	Very low	179 Å²	179	128.7 Å²	128.7	84%	0.836	74%	0.74	S	S	*	*			cis	-146.8	-137.7	18	-152.5	168.3	-157.5	0	0	111
518	N	29.5	Very low	27.2	Very low	120 Å²	120	130 Å²	130	64%	0.642	73%	0.732	S	S	*	*			trans	-124.6	172.5	-162	-74.9	27.2	0	0	0	112.4
519	E	33	Very low	27.3	Very low	144 Å²	144	131.9 Å²	131.9	67%	0.673	74%	0.736	S	S	*	*			cis	-166.7	152.3	-17.3	-106.5	162.8	167.8	0	0	109.8
520	E	28.6	Very low	27.3	Very low	169 Å²	169	137.7 Å²	137.7	79%	0.79	75%	0.746	S	S	*	*			trans	55.5	164.7	148	-62.2	-174.6	175.6	0	0	120.6
521	T	27.3	Very low	27.4	Very low	109 Å²	109	137.3 Å²	137.3	67%	0.669	75%	0.747	S	S	*	*			cis	-141.8	163.4	7	3.8	0	0	0	0	111.3
522	E	27.2	Very low	27.6	Very low	195 Å²	195	139.4 Å²	139.4	91%	0.911	75%	0.751	S	S	*	*			trans	40.5	157.3	145.6	-62.7	-175.6	157.4	0	0	124
523	G	27.3	Very low	27.7	Very low	84 Å²	84	138.1 Å²	138.1	87%	0.866	75%	0.751	S	S	*	*			trans	145.7	125.9	157.3	0	0	0	0	0	115.4
524	S	25.5	Very low	27.8	Very low	102 Å²	102	139.1 Å²	139.1	71%	0.713	76%	0.756	S	S	*	*			trans	-123.7	161.3	175.7	-167.6	0	0	0	0	111.6
525	D	26.3	Very low	27.9	Very low	159 Å²	159	138.5 Å²	138.5	85%	0.85	77%	0.768	S	S	*	*			trans	67.4	155.3	160.7	-66.2	-70.4	0	0	0	120.6
526	G	25.2	Very low	28	Very low	63 Å²	63	141.8 Å²	141.8	65%	0.649	78%	0.779	S	S	*	*			trans	112.6	116.6	161.5	0	0	0	0	0	115.5
527	P	30.6	Very low	27.9	Very low	134 Å²	134	140.9 Å²	140.9	87%	0.87	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-80.2	136.3	177.6	32.3	-33.6	0	0	0	112.2
528	T	25.9	Very low	27.8	Very low	109 Å²	109	139.1 Å²	139.1	67%	0.669	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-94.3	116.1	172.7	38.4	0	0	0	0	111.6	Y530	T528-Y530 HydrophobicContact CG2-CE2 4.22Å
529	E	26.6	Very low	28	Very low	198 Å²	198	140.9 Å²	140.9	93%	0.925	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-71.1	135	160.6	-67.6	-171.4	120.4	0	0	109.6
530	Y	26.5	Very low	27.8	Very low	205 Å²	205	141.5 Å²	141.5	80%	0.804	79%	0.793	S	S	*	*			trans	-128.7	119.4	175.2	-88.9	-76.8	0	0	0	111.7	T528	T528-Y530 HydrophobicContact CG2-CE2 4.22Å
531	M	25.9	Very low	27.8	Very low	151 Å²	151	140.9 Å²	140.9	74%	0.744	80%	0.795	S	S	*	*			trans	-66.3	164.1	153.4	-67.4	-175.1	67.7	0	0	109.1
532	F	29.5	Very low	28	Very low	191 Å²	191	143.4 Å²	143.4	84%	0.838	80%	0.803	S	S	*	*			cis	-147.5	178.3	42.6	-82	-98	0	0	0	110
533	G	26.5	Very low	28.2	Very low	56 Å²	56	145.3 Å²	145.3	58%	0.577	80%	0.804	S	S	*	*			cis	166.5	-155.3	1.4	0	0	0	0	0	111.4
534	D	27.1	Very low	29.5	Very low	163 Å²	163	146.7 Å²	146.7	87%	0.872	80%	0.798	S	S	*	*			trans	82.5	89.9	163.8	-57	5.9	0	0	0	119.8
535	A	28.2	Very low	29.5	Very low	107 Å²	107	149 Å²	149	88%	0.884	80%	0.799	S	S	*	*			trans	-159.9	111.8	132.1	0	0	0	0	0	109.2
536	E	30.8	Very low	29.4	Very low	177 Å²	177	148.1 Å²	148.1	83%	0.827	79%	0.79	S	S	*	*			trans	-94.8	-174	-175.6	-59	179.5	124.7	0	0	113.2
537	L	29.7	Very low	29.7	Very low	143 Å²	143	152 Å²	152	75%	0.749	79%	0.791	S	S	*	*			trans	82.8	126.7	164.2	-46.2	-175.7	0	0	0	115.6
538	D	27.1	Very low	29.6	Very low	143 Å²	143	151.6 Å²	151.6	77%	0.765	78%	0.781	S	S	*	*			cis	-145.2	151.3	-1.8	-81	-46.5	0	0	0	110.5
539	D	32.4	Very low	29.6	Very low	157 Å²	157	151.5 Å²	151.5	84%	0.84	78%	0.776	S	S	*	*			trans	-96.7	149.4	164.7	-85.7	-50.5	0	0	0	110.4
540	D	29.3	Very low	29.7	Very low	157 Å²	157	151.2 Å²	151.2	84%	0.84	78%	0.775	S	S	*	*				-176.6	171	119.8	-116.4	-31.5	0	0	0	114.2
541	D	28.4	Very low	29.9	Very low	156 Å²	156	146.5 Å²	146.5	83%	0.834	77%	0.768	S	S	*	*			trans	69	90.3	165.7	-76.4	-22.8	0	0	0	120.1
542	L	32.6	Very low	30.1	Very low	161 Å²	161	145.3 Å²	145.3	84%	0.843	77%	0.769	S	S	*	*			trans	-82.3	146	151.3	-77.4	159.5	0	0	0	111.2
543	Y	30.2	Very low	30.4	Very low	236 Å²	236	142.3 Å²	142.3	93%	0.925	77%	0.769	S	S	*	*				-173.7	151.6	129.5	-100.2	-71.7	0	0	0	110.3
544	P	54.5	Low	30.7	Very low	113 Å²	113	148.4 Å²	148.4	73%	0.734	78%	0.782	S	S	*	*			trans	-113.6	179.8	-170.6	41.9	-30.1	0	0	0	114.1
545	M	26.5	Very low	30.9	Very low	149 Å²	149	149.6 Å²	149.6	73%	0.734	78%	0.782	S	S	*	*			trans	-179.9	124.6	151.2	-88.4	-66.6	-80	0	0	105.5
546	E	24.8	Very low	31.3	Very low	142 Å²	142	149.2 Å²	149.2	66%	0.664	77%	0.771	S	S	*	*				63.6	137.5	81.3	-71.1	-177.8	-162.5	0	0	114.2
547	H	31.3	Very low	31.3	Very low	144 Å²	144	147.1 Å²	147.1	67%	0.667	77%	0.77	S	S	*	*			cis	-162	156.7	11	-130	-57.9	0	0	0	110.9
548	D	27.3	Very low	31.6	Very low	125 Å²	125	150.7 Å²	150.7	67%	0.668	78%	0.775	S	S	*	*			trans	58.4	157	142.4	-88.2	37.7	0	0	0	123.5
549	N	27.3	Very low	32.1	Very low	107 Å²	107	149.9 Å²	149.9	57%	0.572	78%	0.776	S	S	*	*			cis	-166.8	140.9	-26.4	-141.6	-37.4	0	0	0	109.9
550	Q	27.7	Very low	32.4	Very low	192 Å²	192	150.3 Å²	150.3	90%	0.897	78%	0.777	S	S	*	*			trans	-171.4	159.4	151.4	-114.9	153.8	82.2	0	0	113.1
551	T	30.2	Very low	32.7	Very low	107 Å²	107	148.5 Å²	148.5	66%	0.656	77%	0.774	S	S	*	*			trans	-132.1	139.8	-143.4	52.8	0	0	0	0	115.9
552	V	30.8	Very low	33.1	Very low	126 Å²	126	147.1 Å²	147.1	76%	0.764	77%	0.773	S	S	*	*			trans	61.2	124.6	130.1	177.7	0	0	0	0	116.9
553	P	35.8	Very low	33.3	Very low	128 Å²	128	148.2 Å²	148.2	83%	0.831	77%	0.774	S	S	*	*				-138.5	175.8	65.3	33.5	-12.6	0	0	0	117.9
554	E	32.8	Very low	33.5	Very low	184 Å²	184	140.9 Å²	140.9	86%	0.86	76%	0.763	S	S	*	*			trans	-90.9	150.6	-167.9	-53.2	165.5	124.8	0	0	113.4
555	E	31.5	Very low	32.5	Very low	188 Å²	188	145.7 Å²	145.7	88%	0.879	77%	0.772	S	S	*	*			trans	-138.4	154.9	154.5	-96.6	-160.8	173.4	0	0	110.3
556	P	35.5	Very low	33	Very low	99 Å²	99	147 Å²	147	64%	0.643	78%	0.776	S	S	*	*			trans	-83.9	144.7	-156.7	31.6	-36.7	0	0	0	115.4	Y558	P556-Y558 PolarHBondContact O-N 3.19Å
557	V	32.1	Very low	33.7	Very low	133 Å²	133	148.7 Å²	148.7	81%	0.806	79%	0.789	S	S	*	*			trans	-74	116.8	170.5	178.7	0	0	0	0	110.3	T559	V557-T559 PolarHBondContact O-N 3.09Å
558	Y	35.6	Very low	34	Very low	217 Å²	217	152.8 Å²	152.8	85%	0.851	80%	0.799	S	S	*	*			trans	-78.8	114.4	170.4	-80.7	-99.2	0	0	0	111.1	P556	P556-Y558 PolarHBondContact O-N 3.19Å
559	T	37.6	Very low	34.4	Very low	127 Å²	127	154.6 Å²	154.6	78%	0.779	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-93.6	139.1	164.8	41.6	0	0	0	0	110.8	V557	V557-T559 PolarHBondContact O-N 3.09Å
560	L	38.2	Very low	34.9	Very low	165 Å²	165	157.8 Å²	157.8	86%	0.864	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-83.1	139.1	-179.6	-72	168	0	0	0	111.3
561	P	35.6	Very low	35.1	Very low	119 Å²	119	156.2 Å²	156.2	77%	0.773	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-76.1	132.2	179.1	30.1	-34.1	0	0	0	112
562	P	37.5	Very low	35.4	Very low	128 Å²	128	157.8 Å²	157.8	83%	0.831	81%	0.813	S	S	*	*			trans	-100.4	82	-177.7	37.3	-33.1	0	0	0	113.1
563	E	37.6	Very low	35.6	Very low	183 Å²	183	159 Å²	159	86%	0.855	82%	0.816	S	S	*	*			trans	-136.2	117.8	167	-80.1	-160.7	-171.9	0	0	113.9
564	A	34.2	Very low	35.4	Very low	83 Å²	83	160.4 Å²	160.4	69%	0.686	82%	0.816	S	S	*	*	S	Bend	trans	-160	130.8	147.2	0	0	0	0	0	109.6
565	F	33.2	Very low	35.5	Very low	213 Å²	213	157.4 Å²	157.4	93%	0.934	81%	0.812	S	S	*	*			trans	71	104.9	-179.9	-51	-72.4	0	0	0	116.7
566	Q	36.9	Very low	35.7	Very low	176 Å²	176	154.3 Å²	154.3	82%	0.822	81%	0.812	S	S	*	*			trans	-77.8	144	168.8	-65.6	166.6	-18.6	0	0	111.3
567	L	38.1	Very low	35.4	Very low	178 Å²	178	154.1 Å²	154.1	93%	0.932	82%	0.818	S	S	*	*			trans	-65.7	145.1	164.6	-77.5	160.6	0	0	0	110.2
568	R	37.8	Very low	35.7	Very low	230 Å²	230	153.3 Å²	153.3	87%	0.868	82%	0.816	S	S	*	*			trans	-93.9	110.5	177.7	-75.1	-169.4	-179.6	-157.5	1.5	111.3
569	H	36.8	Very low	35.4	Very low	163 Å²	163	151.4 Å²	151.4	76%	0.755	82%	0.815	S	S	*	*			trans	51.3	89.9	150.4	-53.2	83.5	0	0	0	116.5
570	E	36.4	Very low	35.1	Very low	175 Å²	175	153.1 Å²	153.1	82%	0.818	81%	0.814	S	S	*	*			trans	-66.7	144.5	143	-64.7	-179	156.6	0	0	108.7
571	I	33.6	Very low	34.6	Very low	159 Å²	159	150.8 Å²	150.8	82%	0.815	80%	0.801	S	S	*	*			trans	-114.1	113.5	173	-62.2	175	0	0	0	106.9
572	I	36.5	Very low	34.3	Very low	139 Å²	139	152.6 Å²	152.6	71%	0.713	80%	0.799	S	S	*	*			trans	-128	123.5	175.4	-60.4	172.7	0	0	0	106.8
573	D	35.1	Very low	33.9	Very low	153 Å²	153	153.4 Å²	153.4	82%	0.818	79%	0.792	S	S	*	*			trans	-149	106.2	168.7	-109.4	-38.5	0	0	0	110.2
574	N	30.5	Very low	33.4	Very low	156 Å²	156	149.4 Å²	149.4	83%	0.834	78%	0.777	S	S	*	*			trans	-163.9	145	136.4	-106	-37.5	0	0	0	109.9
575	P	36.2	Very low	33.1	Very low	121 Å²	121	154.4 Å²	154.4	79%	0.786	78%	0.783	S	S	*	*			trans	-89.8	154.5	-160.5	34.5	-36.9	0	0	0	114.6
576	S	34.4	Very low	32.9	Very low	124 Å²	124	148.3 Å²	148.3	87%	0.867	77%	0.772	S	S	*	*			trans	-111.9	159	165.6	55.9	0	0	0	0	111.4
577	A	30.6	Very low	32.5	Very low	94 Å²	94	147.4 Å²	147.4	78%	0.777	77%	0.773	S	S	*	*			trans	-148.3	154.2	-176.3	0	0	0	0	0	108.8
578	P	37.5	Very low	32	Very low	117 Å²	117	144.5 Å²	144.5	76%	0.76	77%	0.767	S	S	*	*				-121.6	167.5	-109.1	15.8	6.4	0	0	0	117.2
579	E	29.7	Very low	32	Very low	177 Å²	177	139.4 Å²	139.4	83%	0.827	76%	0.764	S	S	*	*			trans	6.1	136.7	153.4	-52	-179.7	131.5	0	0	120.5
580	H	30.5	Very low	31.5	Very low	163 Å²	163	140.3 Å²	140.3	76%	0.755	77%	0.768	S	S	*	*				-162.5	128.3	114.8	-122.8	-123.7	0	0	0	115.5
581	L	28.8	Very low	31	Very low	115 Å²	115	138.7 Å²	138.7	60%	0.602	77%	0.77	S	S	*	*			trans	38.8	126.8	146.7	-58.5	-177.7	0	0	0	123.7
582	Q	29.2	Very low	30.7	Very low	157 Å²	157	136.9 Å²	136.9	73%	0.734	77%	0.771	S	S	*	*				60.6	150.3	125.5	-66	173.2	-28.4	0	0	121.2
583	Q	28.2	Very low	30.3	Very low	146 Å²	146	133.9 Å²	133.9	68%	0.682	77%	0.774	S	S	*	*			cis	-177.3	155.7	-14.2	167.9	171.9	-25.1	0	0	109.4
584	D	28.2	Very low	29.9	Very low	99 Å²	99	133.2 Å²	133.2	53%	0.529	77%	0.771	S	S	.	*			trans	66.2	129.8	165.4	-88.9	-69.7	0	0	0	121
585	K	26.8	Very low	30	Very low	188 Å²	188	134 Å²	134	82%	0.817	77%	0.77	S	S	*	*			trans	24.9	134.4	142.8	-57.7	163.6	-169.6	133.2	0	119.4
586	A	29.4	Very low	29.6	Very low	84 Å²	84	133.4 Å²	133.4	69%	0.694	77%	0.774	S	S	*	*				-171	167.4	59.4	0	0	0	0	0	114.2
587	D	27.7	Very low	29.3	Very low	158 Å²	158	136.2 Å²	136.2	85%	0.845	77%	0.774	S	S	*	*			trans	39.9	125.5	150.5	-54	-19	0	0	0	122.5
588	S	27.5	Very low	29.3	Very low	116 Å²	116	138.3 Å²	138.3	81%	0.811	78%	0.777	S	S	*	*			trans	-68.5	160.1	160	-45.2	0	0	0	0	111.8
589	P	37.8	Very low	28.8	Very low	124 Å²	124	136.5 Å²	136.5	81%	0.805	77%	0.772	S	S	*	*				-143.5	169.8	99.4	39	-26.5	0	0	0	115.5
590	H	26.6	Very low	28.6	Very low	182 Å²	182	133.7 Å²	133.7	84%	0.843	77%	0.771	S	S	*	*			trans	-64.7	156.9	165.6	-55.1	-93	0	0	0	112.2
591	V	26.5	Very low	28.6	Very low	141 Å²	141	133.5 Å²	133.5	86%	0.855	77%	0.774	S	S	*	*				176.5	148.8	103.3	154.4	0	0	0	0	111.1
592	S	28	Very low	28.6	Very low	121 Å²	121	132.8 Å²	132.8	85%	0.846	78%	0.775	S	S	*	*			trans	-57.7	159.6	178.3	-36.2	0	0	0	0	116.1
593	G	26.6	Very low	28.9	Very low	75 Å²	75	131.1 Å²	131.1	77%	0.773	78%	0.778	S	S	*	*			trans	-170.2	126.4	164.3	0	0	0	0	0	112.8
594	N	28.2	Very low	29	Very low	139 Å²	139	130.9 Å²	130.9	74%	0.743	78%	0.779	S	S	*	*			trans	-86.9	156.4	178.8	-101.3	34.9	0	0	0	112.7
595	E	31.4	Very low	29.2	Very low	174 Å²	174	135.2 Å²	135.2	81%	0.813	80%	0.797	S	S	*	*			trans	34.2	112.3	139.5	-56.7	167.3	128.8	0	0	119.8
596	A	29.2	Very low	29.5	Very low	107 Å²	107	131.6 Å²	131.6	88%	0.884	80%	0.795	S	S	*	*			trans	-162.6	144.9	136.1	0	0	0	0	0	113
597	E	27.3	Very low	29.6	Very low	183 Å²	183	136.6 Å²	136.6	86%	0.855	80%	0.801	S	S	*	*			trans	-74.7	173.3	-175	-50.8	174.7	119.9	0	0	116
598	V	29.9	Very low	30.1	Very low	138 Å²	138	134.4 Å²	134.4	84%	0.836	80%	0.798	S	S	*	*			trans	74.7	134.2	146.9	156.4	0	0	0	0	118.4
599	A	27.9	Very low	31.1	Very low	79 Å²	79	136.8 Å²	136.8	65%	0.653	80%	0.801	S	S	*	*			cis	-169.9	-172.9	-14.7	0	0	0	0	0	111.3
600	C	25.6	Very low	31.4	Very low	119 Å²	119	138.1 Å²	138.1	80%	0.804	80%	0.8	S	S	*	*			trans	79.9	145.9	157.8	-102.2	0	0	0	0	117.4
601	L	30.1	Very low	32.2	Very low	158 Å²	158	134.4 Å²	134.4	83%	0.827	79%	0.794	S	S	*	*			cis	-132	169.5	11.5	-93.4	165.7	0	0	0	113.2
602	T	29.4	Very low	32.8	Very low	101 Å²	101	134.3 Å²	134.3	62%	0.62	79%	0.788	S	S	*	*			trans	-96.7	173.1	171.9	61.3	0	0	0	0	111.7
603	P	34.6	Very low	33.2	Very low	122 Å²	122	133.6 Å²	133.6	79%	0.792	78%	0.782	S	S	*	*				-121.9	144.3	72.1	9.1	13.3	0	0	0	112
604	I	30.4	Very low	33.9	Very low	140 Å²	140	137 Å²	137	72%	0.718	78%	0.778	S	S	*	*				62.7	93	59.8	-54	173	0	0	0	112.9
605	E	31.6	Very low	34.5	Very low	191 Å²	191	135.8 Å²	135.8	89%	0.893	78%	0.778	S	S	*	*			trans	-126.5	160.2	146.5	-74.9	-156.5	142.1	0	0	110.2
606	S	34.1	Very low	35.1	Very low	111 Å²	111	135 Å²	135	78%	0.776	78%	0.778	S	S	*	*			trans	-50.2	135.3	-162.6	39	0	0	0	0	118.2
607	F	31.9	Very low	35.9	Very low	189 Å²	189	139.3 Å²	139.3	83%	0.829	77%	0.773	S	S	*	*			trans	-63.4	139.5	163.5	-69.5	-93.9	0	0	0	112.1
608	S	38.1	Very low	36.7	Very low	113 Å²	113	134.7 Å²	134.7	79%	0.79	76%	0.761	S	S	*	*			trans	-116.6	106	156.1	-73.9	0	0	0	0	109.4	I610	S608-I610 PolarHBondContact O-N 3.45Å; S608-I610 VanDerWaalsContact O-N 3.08Å
609	L	48.6	Very low	37.7	Very low	166 Å²	166	133.4 Å²	133.4	87%	0.869	76%	0.756	S	S	*	*			trans	-82.3	80.9	-178.7	-71.7	172.1	0	0	0	111.4
610	I	44.5	Very low	39.1	Very low	151 Å²	151	135.9 Å²	135.9	77%	0.774	75%	0.754	S	S	*	*			trans	-126.6	137.3	163.6	-59	-178	0	0	0	108.1	S608 I612	S608-I610 PolarHBondContact O-N 3.45Å; S608-I610 VanDerWaalsContact O-N 3.08Å; I610-I612 PolarHBondContact O-N 3.45Å
611	S	41.7	Very low	41.2	Very low	104 Å²	104	135 Å²	135	73%	0.727	74%	0.74	S	S	*	*			trans	-55.6	121.4	-165.7	-171.3	0	0	0	0	114.1	S613	S611-S613 VanDerWaalsContact C-N 3.33Å; S611-S613 PolarHBondContact O-N 2.96Å; S611-S613 VanDerWaalsContact O-N 3.09Å
612	I	39.3	Very low	43.2	Very low	140 Å²	140	134.2 Å²	134.2	72%	0.718	73%	0.732	S	S	*	*			trans	-79.1	85.8	165.2	-57	178	0	0	0	108.2	I610 Q614	I610-I612 PolarHBondContact O-N 3.45Å; I612-Q614 HydrophobicContact CG2-CB 4.17Å; I612-Q614 HydrophobicContact CG2-CG 3.78Å; I612-Q614 PolarHBondContact O-N 3.11Å; I612-Q614 VanDerWaalsContact O-N 3.11Å
613	S	38.1	Very low	45.1	Very low	105 Å²	105	130.6 Å²	130.6	73%	0.734	71%	0.712	S	S	*	*			trans	-81.7	65.8	164.9	64.6	0	0	0	0	110.4	S611 P615	S611-S613 VanDerWaalsContact C-N 3.33Å; S611-S613 PolarHBondContact O-N 2.96Å; S611-S613 VanDerWaalsContact O-N 3.09Å; S613-P615 WeakPolarHBondContact O-CD 3.41Å
614	Q	40.2	Very low	47.1	Very low	146 Å²	146	128 Å²	128	68%	0.682	70%	0.697	S	S	*	*			trans	-68.6	123.8	164.7	-90.2	-179.5	-15.2	0	0	108.4	I612 L616	I612-Q614 HydrophobicContact CG2-CB 4.17Å; I612-Q614 HydrophobicContact CG2-CG 3.78Å; I612-Q614 PolarHBondContact O-N 3.11Å; I612-Q614 VanDerWaalsContact O-N 3.11Å; Q614-L616 PolarHBondContact O-N 3.38Å
615	P	40.5	Very low	49.7	Very low	115 Å²	115	127.1 Å²	127.1	75%	0.747	69%	0.688	S	S	*	*			trans	-71.9	100.9	170.7	29.4	-31.7	0	0	0	108.6	S613 Y617	S613-P615 WeakPolarHBondContact O-CD 3.41Å; P615-Y617 PolarHBondContact O-N 2.88Å
616	L	44.1	Very low	52.3	Low	156 Å²	156	119.9 Å²	119.9	82%	0.817	65%	0.654	S	S	*	*	S	Bend	trans	-68.1	12.9	177.2	-72.8	172.4	0	0	0	114.2	Q614	Q614-L616 PolarHBondContact O-N 3.38Å
617	Y	46.3	Very low	54.9	Low	199 Å²	199	114.8 Å²	114.8	78%	0.78	62%	0.618	S	S	*	*			trans	-137	111.7	171.8	-84.1	-92.2	0	0	0	109.6	P615	P615-Y617 PolarHBondContact O-N 2.88Å
618	S	44.8	Very low	57.6	Low	86 Å²	86	108.1 Å²	108.1	60%	0.601	59%	0.594	S	S	*	*			trans	-70.8	125.1	144.3	178.4	0	0	0	0	106.7	H620	S618-H620 PolarHBondContact O-N 3.11Å
619	P	50.3	Low	60.1	Low	110 Å²	110	107.3 Å²	107.3	71%	0.714	58%	0.58	S	S	*	*	S	Bend	trans	-79	21.2	-177.8	33.8	-35.7	0	0	0	112.9
620	H	57.5	Low	62.1	Low	132 Å²	132	99.4 Å²	99.4	61%	0.611	54%	0.539	S	S	*	.			trans	-123.9	118.5	-171.8	-58	-58.7	0	0	0	110.7	S618	S618-H620 PolarHBondContact O-N 3.11Å
621	L	69.1	Low	64.4	Low	100 Å²	100	96.6 Å²	96.6	52%	0.524	52%	0.518	S	S	.	.			trans	-66.2	136.9	169.3	-68.4	159.4	0	0	0	109	F625 F626	L621-F625 HydrophobicContact CB-CB 4.32Å; L621-F625 HydrophobicContact CB-CD1 4.18Å; L621-F625 HydrophobicContact CB-CG 4.32Å; L621-F625 HydrophobicContact CD1-CD1 3.79Å; L621-F625 HydrophobicContact CD1-CE1 3.74Å; L621-F625 HydrophobicContact CD1-CZ 4.41Å; L621-F625 HydrophobicContact CD2-CD1 4.19Å; L621-F625 HydrophobicContact CD2-CD2 4.19Å; L621-F625 HydrophobicContact CD2-CE1 4.36Å; L621-F625 HydrophobicContact CD2-CE2 4.35Å; L621-F625 HydrophobicContact CD2-CG 4.11Å; L621-F625 HydrophobicContact CD2-CZ 4.44Å; L621-F625 HydrophobicContact CG-CD1 4.27Å; L621-F626 HydrophobicContact CB-CE2 3.87Å; L621-F626 HydrophobicContact CB-CZ 3.81Å; L621-F626 HydrophobicContact CD1-CE1 4.21Å; L621-F626 HydrophobicContact CD1-CZ 3.84Å; L621-F626 HydrophobicContact CG-CZ 4.47Å
622	H	71.3	Confident	66.8	Low	142 Å²	142	97 Å²	97	66%	0.657	51%	0.509	S	S	*	.			trans	-63.9	145.3	177.1	-176	-108.3	0	0	0	110.7	S624 F625	H622-S624 PolarHBondContact ND1-OG 2.99Å; H622-S624 PolarHBondContact O-N 3.09Å; H622-F625 VanDerWaalsContact O-CB 3.23Å; H622-F625 WeakPolarHBondContact O-CB 3.32Å; H622-F625 PolarHBondContact O-N 3.34Å
623	A	70.2	Confident	69.3	Low	25 Å²	25	92.4 Å²	92.4	21%	0.207	48%	0.484	C	S	.	.	G	3₁₀ helix	trans	-50	-37.2	-174.9	0	0	0	0	0	113.9	F456 F625 F626	F456-A623 HydrophobicContact CD1-CB 3.75Å; F456-A623 HydrophobicContact CE1-CB 4Å; A623-F625 PolarHBondContact O-N 3.4Å; A623-F626 PolarHBondContact O-N 2.93Å; A623-F626 VanDerWaalsContact O-N 3.1Å
624	S	76.9	Confident	71.9	Confident	68 Å²	68	87.4 Å²	87.4	48%	0.476	45%	0.45	S	S	.	.	G	3₁₀ helix	trans	-63.3	-22.2	178.2	65.1	0	0	0	0	114.6	H622 F626 C627	H622-S624 PolarHBondContact ND1-OG 2.99Å; H622-S624 PolarHBondContact O-N 3.09Å; S624-F626 PolarHBondContact O-N 3.46Å; S624-C627 PolarHBondContact O-N 3.17Å
625	F	84.9	Confident	74.4	Confident	120 Å²	120	82 Å²	82	53%	0.526	43%	0.428	S	S	.	.	G	3₁₀ helix	trans	-63.1	-31.2	174.3	179.3	-91.3	0	0	0	111.8	L621 H622 A623	L621-F625 HydrophobicContact CB-CB 4.32Å; L621-F625 HydrophobicContact CB-CD1 4.18Å; L621-F625 HydrophobicContact CB-CG 4.32Å; L621-F625 HydrophobicContact CD1-CD1 3.79Å; L621-F625 HydrophobicContact CD1-CE1 3.74Å; L621-F625 HydrophobicContact CD1-CZ 4.41Å; L621-F625 HydrophobicContact CD2-CD1 4.19Å; L621-F625 HydrophobicContact CD2-CD2 4.19Å; L621-F625 HydrophobicContact CD2-CE1 4.36Å; L621-F625 HydrophobicContact CD2-CE2 4.35Å; L621-F625 HydrophobicContact CD2-CG 4.11Å; L621-F625 HydrophobicContact CD2-CZ 4.44Å; L621-F625 HydrophobicContact CG-CD1 4.27Å; H622-F625 VanDerWaalsContact O-CB 3.23Å; H622-F625 WeakPolarHBondContact O-CB 3.32Å; H622-F625 PolarHBondContact O-N 3.34Å; A623-F625 PolarHBondContact O-N 3.4Å
626	F	86.8	Confident	76.9	Confident	39 Å²	39	81.2 Å²	81.2	17%	0.171	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-13.7	-177.5	-62.7	-64.4	0	0	0	113.6	M455 F456 L621 A623 S624 I629 V630	M455-F626 HydrophobicContact CB-CB 4.35Å; M455-F626 HydrophobicContact CB-CD1 4.46Å; M455-F626 HydrophobicContact CB-CD2 3.89Å; M455-F626 HydrophobicContact CB-CE2 4.29Å; M455-F626 HydrophobicContact CB-CG 3.98Å; M455-F626 HydrophobicContact CE-CB 3.69Å; M455-F626 HydrophobicContact CE-CD1 3.91Å; M455-F626 HydrophobicContact CE-CG 3.96Å; M455-F626 HydrophobicContact CG-CD1 3.99Å; M455-F626 HydrophobicContact CG-CD2 4.24Å; M455-F626 HydrophobicContact CG-CE1 4.18Å; M455-F626 HydrophobicContact CG-CE2 4.42Å; M455-F626 HydrophobicContact CG-CG 4.03Å; M455-F626 HydrophobicContact CG-CZ 4.38Å; M455-F626 WeakPolarHBondContact O-CD2 3.36Å; F456-F626 HydrophobicContact CE2-CB 4.29Å; F456-F626 HydrophobicContact CZ-CB 4.14Å; L621-F626 HydrophobicContact CB-CE2 3.87Å; L621-F626 HydrophobicContact CB-CZ 3.81Å; L621-F626 HydrophobicContact CD1-CE1 4.21Å; L621-F626 HydrophobicContact CD1-CZ 3.84Å; L621-F626 HydrophobicContact CG-CZ 4.47Å; A623-F626 PolarHBondContact O-N 2.93Å; A623-F626 VanDerWaalsContact O-N 3.1Å; S624-F626 PolarHBondContact O-N 3.46Å; F626-I629 WeakPolarHBondContact O-CB 3.49Å; F626-I629 PolarHBondContact O-N 2.89Å; F626-I629 VanDerWaalsContact O-N 3.16Å; F626-V630 WeakPolarHBondContact O-CG2 2.96Å; F626-V630 PolarHBondContact O-N 3.09Å
627	C	87.9	Confident	79.2	Confident	4 Å²	4	75 Å²	75	3%	0.027	38%	0.38	C	S	.	.	H	α-helix	trans	-56.4	-46	-173.4	-75.2	0	0	0	0	114.9	S624 I629 V630 R631 R656 I657 E660	S624-C627 PolarHBondContact O-N 3.17Å; C627-I629 VanDerWaalsContact C-N 3.3Å; C627-I629 PolarHBondContact O-N 2.85Å; C627-V630 PolarHBondContact O-N 3.36Å; C627-R631 WeakPolarHBondContact O-CB 3.18Å; C627-R631 PolarHBondContact O-N 2.98Å; C627-R656 PolarHBondContact SG-O 2.99Å; C627-R656 VanDerWaalsContact SG-O 3.35Å; C627-I657 HydrophobicContact CB-CD1 3.98Å; C627-E660 HydrophobicContact CB-CG 3.75Å
628	P	88.7	Confident	81.4	Confident	50 Å²	50	66.2 Å²	66.2	33%	0.325	35%	0.349	S	S	.	.	H	α-helix	trans	-62.1	-36.3	177.8	-24.9	35.7	0	0	0	113.3	R631 E632	P628-R631 WeakPolarHBondContact O-CB 3.41Å; P628-R631 PolarHBondContact O-N 2.84Å; P628-E632 WeakPolarHBondContact O-CG 3.48Å; P628-E632 PolarHBondContact O-N 3.43Å; P628-E632 VanDerWaalsContact O-N 3.08Å
629	I	90	Very high	83.5	Confident	96 Å²	96	69.6 Å²	69.6	49%	0.492	36%	0.355	S	S	.	.	H	α-helix	trans	-69.2	-41.7	178.3	-56.5	171.1	0	0	0	110.2	F626 C627 M633	F626-I629 WeakPolarHBondContact O-CB 3.49Å; F626-I629 PolarHBondContact O-N 2.89Å; F626-I629 VanDerWaalsContact O-N 3.16Å; C627-I629 VanDerWaalsContact C-N 3.3Å; C627-I629 PolarHBondContact O-N 2.85Å; I629-M633 VanDerWaalsContact O-CB 3.3Å; I629-M633 WeakPolarHBondContact O-CB 3.22Å; I629-M633 PolarHBondContact O-N 3.15Å
630	V	91	Very high	85.3	Confident	0 Å²	0	72.1 Å²	72.1	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-65.7	-44.1	175.9	173.6	0	0	0	0	110.9	L452 M455 F456 F626 C627 E632 M633 L634 L653 I657	L452-V630 HydrophobicContact CD2-CG1 4.18Å; L452-V630 HydrophobicContact CD2-CG2 3.9Å; M455-V630 HydrophobicContact CE-CG2 3.63Å; F456-V630 HydrophobicContact CE2-CG2 3.73Å; F456-V630 HydrophobicContact CZ-CG2 3.95Å; F626-V630 WeakPolarHBondContact O-CG2 2.96Å; F626-V630 PolarHBondContact O-N 3.09Å; C627-V630 PolarHBondContact O-N 3.36Å; V630-E632 PolarHBondContact O-N 3.28Å; V630-M633 HydrophobicContact CG1-CE 4.31Å; V630-M633 WeakPolarHBondContact O-CB 3.32Å; V630-M633 PolarHBondContact O-N 2.96Å; V630-L634 HydrophobicContact CG1-CD1 3.83Å; V630-L634 HydrophobicContact CG1-CG 4.23Å; V630-L634 VanDerWaalsContact O-CG 3.23Å; V630-L634 WeakPolarHBondContact O-CG 3.39Å; V630-L634 PolarHBondContact O-N 3.4Å; V630-L653 HydrophobicContact CG1-CD1 3.87Å; V630-I657 HydrophobicContact CB-CD1 3.9Å; V630-I657 HydrophobicContact CG1-CD1 3.78Å; V630-I657 HydrophobicContact CG1-CG1 4.01Å
631	R	92.6	Very high	86.6	Confident	92 Å²	92	68.3 Å²	68.3	35%	0.347	35%	0.347	S	S	.	.	H	α-helix	trans	-52.5	-53.8	174.2	173.4	-164.2	71.7	172.3	2.1	111.4	C627 P628 M633 L634 S635 E660 I661	C627-R631 WeakPolarHBondContact O-CB 3.18Å; C627-R631 PolarHBondContact O-N 2.98Å; P628-R631 WeakPolarHBondContact O-CB 3.41Å; P628-R631 PolarHBondContact O-N 2.84Å; R631-M633 VanDerWaalsContact C-N 3.34Å; R631-M633 PolarHBondContact O-N 3.05Å; R631-L634 PolarHBondContact O-N 3.22Å; R631-L634 VanDerWaalsContact O-N 3.17Å; R631-S635 PolarHBondContact O-N 3Å; R631-S635 PolarHBondContact O-OG 3.23Å; R631-E660 WeakPolarHBondContact CD-O 3.49Å; R631-I661 HydrophobicContact CB-CG1 4.35Å; R631-I661 HydrophobicContact CG-CG1 3.83Å
632	E	91.6	Very high	87.6	Confident	113 Å²	113	64.1 Å²	64.1	53%	0.528	33%	0.325	S	S	.	.	H	α-helix	trans	-64.5	-37.4	-179.6	-75.5	162	-149.9	0	0	112.5	P628 V630 S635 H636	P628-E632 WeakPolarHBondContact O-CG 3.48Å; P628-E632 PolarHBondContact O-N 3.43Å; P628-E632 VanDerWaalsContact O-N 3.08Å; V630-E632 PolarHBondContact O-N 3.28Å; E632-S635 PolarHBondContact O-N 3.41Å; E632-H636 WeakPolarHBondContact O-CB 3.42Å; E632-H636 PolarHBondContact O-N 3.35Å
633	M	93.4	Very high	88.6	Confident	42 Å²	42	58.1 Å²	58.1	21%	0.207	30%	0.298	C	S	.	.	H	α-helix	trans	-62.5	-40.3	172.6	-178.7	-158.6	74.2	0	0	112.4	T448 L452 I629 V630 R631 H636 Y637	T448-M633 HydrophobicContact CG2-CE 3.65Å; T448-M633 HydrophobicContact CG2-SD 3.42Å; T448-M633 WeakPolarHBondContact CG2-SD 3.31Å; L452-M633 HydrophobicContact CD1-CE 4.35Å; L452-M633 HydrophobicContact CD2-CE 4.23Å; I629-M633 VanDerWaalsContact O-CB 3.3Å; I629-M633 WeakPolarHBondContact O-CB 3.22Å; I629-M633 PolarHBondContact O-N 3.15Å; V630-M633 HydrophobicContact CG1-CE 4.31Å; V630-M633 WeakPolarHBondContact O-CB 3.32Å; V630-M633 PolarHBondContact O-N 2.96Å; R631-M633 VanDerWaalsContact C-N 3.34Å; R631-M633 PolarHBondContact O-N 3.05Å; M633-H636 PolarHBondContact O-N 3.09Å; M633-Y637 HydrophobicContact CG-CD2 4.11Å; M633-Y637 HydrophobicContact CG-CE2 3.98Å; M633-Y637 VanDerWaalsContact O-CD2 3.27Å; M633-Y637 WeakPolarHBondContact O-CD2 3.36Å; M633-Y637 PolarHBondContact O-N 3.37Å; M633-Y637 VanDerWaalsContact O-N 3.09Å; M633-Y637 HydrophobicContact SD-CE2 4.43Å
634	L	92.6	Very high	89.7	Confident	0 Å²	0	57 Å²	57	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-69.1	-43	178.3	-66.4	169.8	0	0	0	111.5	V630 R631 H636 Y637 A638 V649 L650 I657 I661 W669	V630-L634 HydrophobicContact CG1-CD1 3.83Å; V630-L634 HydrophobicContact CG1-CG 4.23Å; V630-L634 VanDerWaalsContact O-CG 3.23Å; V630-L634 WeakPolarHBondContact O-CG 3.39Å; V630-L634 PolarHBondContact O-N 3.4Å; R631-L634 PolarHBondContact O-N 3.22Å; R631-L634 VanDerWaalsContact O-N 3.17Å; L634-H636 VanDerWaalsContact C-N 3.33Å; L634-H636 PolarHBondContact O-N 3.3Å; L634-Y637 PolarHBondContact O-N 3.41Å; L634-A638 PolarHBondContact O-N 3.22Å; L634-V649 HydrophobicContact CD1-CG1 4.31Å; L634-V649 HydrophobicContact CD2-CB 3.63Å; L634-V649 HydrophobicContact CD2-CG1 3.71Å; L634-V649 HydrophobicContact CD2-CG2 4.28Å; L634-L650 HydrophobicContact CD1-CD2 4.41Å; L634-I657 HydrophobicContact CD1-CG1 4.4Å; L634-I661 HydrophobicContact CD1-CD1 3.98Å; L634-W669 HydrophobicContact CB-CH2 3.84Å; L634-W669 HydrophobicContact CB-CZ3 3.73Å
635	S	91.9	Very high	90.5	Very high	34 Å²	34	53.8 Å²	53.8	24%	0.238	27%	0.266	C	S	.	.	H	α-helix	trans	-58	-45.2	172	-59.9	0	0	0	0	111.6	R631 E632 Y637 A638 E639	R631-S635 PolarHBondContact O-N 3Å; R631-S635 PolarHBondContact O-OG 3.23Å; E632-S635 PolarHBondContact O-N 3.41Å; S635-Y637 VanDerWaalsContact C-N 3.31Å; S635-Y637 PolarHBondContact O-N 3.14Å; S635-A638 PolarHBondContact O-N 3.02Å; S635-A638 VanDerWaalsContact O-N 3.11Å; S635-E639 WeakPolarHBondContact O-CB 3.35Å; S635-E639 WeakPolarHBondContact O-CG 3.23Å; S635-E639 PolarHBondContact O-N 2.9Å
636	H	93.1	Very high	90.9	Very high	97 Å²	97	48.1 Å²	48.1	45%	0.449	24%	0.241	S	C	.	.	H	α-helix	trans	-60.8	-34.6	176.5	177.9	84.1	0	0	0	113.8	E632 M633 L634 R640	E632-H636 WeakPolarHBondContact O-CB 3.42Å; E632-H636 PolarHBondContact O-N 3.35Å; M633-H636 PolarHBondContact O-N 3.09Å; L634-H636 VanDerWaalsContact C-N 3.33Å; L634-H636 PolarHBondContact O-N 3.3Å; H636-R640 PolarHBondContact NE2-NE 3.06Å; H636-R640 PolarHBondContact NE2-NH2 2.77Å; H636-R640 WeakPolarHBondContact O-CB 3.38Å; H636-R640 VanDerWaalsContact O-CG 3.31Å; H636-R640 WeakPolarHBondContact O-CG 3.33Å; H636-R640 PolarHBondContact O-N 3.29Å
637	Y	92.7	Very high	91.3	Very high	25 Å²	25	46.2 Å²	46.2	10%	0.098	23%	0.233	C	C	.	.	H	α-helix	trans	-70.6	-42.2	172.1	-85.6	-67.3	0	0	0	111.8	V445 T448 M633 L634 S635 R640 G641 D642 M645	V445-Y637 HydrophobicContact CG2-CE1 3.8Å; T448-Y637 HydrophobicContact CG2-CE2 4.1Å; T448-Y637 PolarHBondContact OG1-OH 3.39Å; M633-Y637 HydrophobicContact CG-CD2 4.11Å; M633-Y637 HydrophobicContact CG-CE2 3.98Å; M633-Y637 VanDerWaalsContact O-CD2 3.27Å; M633-Y637 WeakPolarHBondContact O-CD2 3.36Å; M633-Y637 PolarHBondContact O-N 3.37Å; M633-Y637 VanDerWaalsContact O-N 3.09Å; M633-Y637 HydrophobicContact SD-CE2 4.43Å; L634-Y637 PolarHBondContact O-N 3.41Å; S635-Y637 VanDerWaalsContact C-N 3.31Å; S635-Y637 PolarHBondContact O-N 3.14Å; Y637-R640 PolarHBondContact O-N 2.93Å; Y637-G641 PolarHBondContact O-N 3.07Å; Y637-D642 HydrophobicContact CD1-CB 4.05Å; Y637-D642 WeakPolarHBondContact O-CA 3.28Å; Y637-D642 PolarHBondContact O-N 3.04Å; Y637-M645 HydrophobicContact CD1-CB 4.25Å; Y637-M645 HydrophobicContact CD1-CG 4.15Å; Y637-M645 HydrophobicContact CD2-CG 4.05Å; Y637-M645 HydrophobicContact CE1-CG 4.26Å; Y637-M645 HydrophobicContact CE2-CG 4.17Å; Y637-M645 HydrophobicContact CG-CB 4.29Å; Y637-M645 HydrophobicContact CG-CG 4.05Å
638	A	91.5	Very high	91.6	Very high	16 Å²	16	46 Å²	46	13%	0.132	23%	0.232	C	C	.	.	H	α-helix	trans	-66.3	-44.1	178.3	0	0	0	0	0	112.9	L634 S635 R640 G641 A646 W669	L634-A638 PolarHBondContact O-N 3.22Å; S635-A638 PolarHBondContact O-N 3.02Å; S635-A638 VanDerWaalsContact O-N 3.11Å; A638-R640 PolarHBondContact O-N 3.25Å; A638-G641 WeakPolarHBondContact O-CA 3.45Å; A638-G641 PolarHBondContact O-N 3.27Å; A638-A646 HydrophobicContact CB-CB 4.27Å; A638-W669 HydrophobicContact CB-CD2 4.06Å; A638-W669 HydrophobicContact CB-CG 4.34Å; A638-W669 HydrophobicContact CB-CZ2 3.91Å
639	E	90.1	Very high	91.8	Very high	157 Å²	157	43.7 Å²	43.7	73%	0.734	22%	0.216	S	C	*	.	H	α-helix	trans	-59.6	-29.3	174.1	-74.4	169.9	-158.5	0	0	112.7	S635 G641	S635-E639 WeakPolarHBondContact O-CB 3.35Å; S635-E639 WeakPolarHBondContact O-CG 3.23Å; S635-E639 PolarHBondContact O-N 2.9Å; E639-G641 VanDerWaalsContact C-N 3.29Å
640	R	88.3	Confident	91.9	Very high	163 Å²	163	39.2 Å²	39.2	62%	0.615	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.2	1	173.3	-74.9	179.3	162	-166.3	-1	114	H636 Y637 A638 D642	H636-R640 PolarHBondContact NE2-NE 3.06Å; H636-R640 PolarHBondContact NE2-NH2 2.77Å; H636-R640 WeakPolarHBondContact O-CB 3.38Å; H636-R640 VanDerWaalsContact O-CG 3.31Å; H636-R640 WeakPolarHBondContact O-CG 3.33Å; H636-R640 PolarHBondContact O-N 3.29Å; Y637-R640 PolarHBondContact O-N 2.93Å; A638-R640 PolarHBondContact O-N 3.25Å; R640-D642 VanDerWaalsContact C-N 3.35Å
641	G	84.7	Confident	92	Very high	51 Å²	51	40 Å²	40	53%	0.526	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.8	2.7	-178.6	0	0	0	0	0	115.2	Y637 A638 E639 V643	Y637-G641 PolarHBondContact O-N 3.07Å; A638-G641 WeakPolarHBondContact O-CA 3.45Å; A638-G641 PolarHBondContact O-N 3.27Å; E639-G641 VanDerWaalsContact C-N 3.29Å; G641-V643 PolarHBondContact O-N 2.85Å
642	D	89.3	Confident	92	Very high	13 Å²	13	36.5 Å²	36.5	7%	0.07	19%	0.186	C	C	.	.			trans	-86.7	57.2	174.1	-166.9	2.5	0	0	0	111.1	R442 Y637 R640 Q644 M645 A646	R442-D642 IonicContact CZ-OD2 2.7Å; R442-D642 IonicContact NH1-OD1 2.66Å; R442-D642 IonicContact NH1-OD2 3.57Å; R442-D642 PolarHBondContact NH1-OD2 2.86Å; R442-D642 VanDerWaalsContact NH1-OD2 3.14Å; R442-D642 IonicContact NH2-OD1 3.92Å; R442-D642 IonicContact NH2-OD2 3.4Å; R442-D642 PolarHBondContact NH2-OD2 3.42Å; Y637-D642 HydrophobicContact CD1-CB 4.05Å; Y637-D642 WeakPolarHBondContact O-CA 3.28Å; Y637-D642 PolarHBondContact O-N 3.04Å; R640-D642 VanDerWaalsContact C-N 3.35Å; D642-Q644 PolarHBondContact O-N 2.94Å; D642-M645 HydrophobicContact CB-CB 4.45Å; D642-M645 VanDerWaalsContact CG-CB 3.49Å; D642-M645 PolarHBondContact O-N 3.15Å; D642-M645 VanDerWaalsContact O-N 3.1Å; D642-M645 WeakPolarHBondContact OD1-CB 3.32Å; D642-M645 PolarHBondContact OD1-N 3.18Å; D642-M645 VanDerWaalsContact OD1-N 3.12Å; D642-M645 WeakPolarHBondContact OD2-CB 3.23Å; D642-A646 PolarHBondContact O-N 3.44Å
643	V	92.6	Very high	91.9	Very high	15 Å²	15	31.7 Å²	31.7	9%	0.091	16%	0.164	C	C	.	.	H	α-helix	trans	-64.7	-24.8	178.9	-163.7	0	0	0	0	111.1	G641 M645 A646 V647 W669	G641-V643 PolarHBondContact O-N 2.85Å; V643-M645 PolarHBondContact O-N 3.27Å; V643-A646 PolarHBondContact O-N 3.4Å; V643-V647 HydrophobicContact CG1-CG2 4.12Å; V643-V647 WeakPolarHBondContact O-CB 3.34Å; V643-V647 WeakPolarHBondContact O-CG2 3.2Å; V643-V647 PolarHBondContact O-N 3.06Å; V643-W669 HydrophobicContact CG1-CB 3.75Å; V643-W669 HydrophobicContact CG1-CG 4.26Å; V643-W669 WeakPolarHBondContact CG1-O 3.45Å
644	Q	93.6	Very high	91.6	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.009	16%	0.16	C	C	.	.	H	α-helix	trans	-56	-48.5	169.7	171.2	166.3	71.6	0	0	111.7	F412 T415 D642 S648 Y673	F412-Q644 HydrophobicContact CD2-CB 4.11Å; F412-Q644 HydrophobicContact CE2-CB 3.88Å; F412-Q644 HydrophobicContact CE2-CG 4.49Å; F412-Q644 PolarHBondContact O-NE2 3.41Å; F412-Q644 VanDerWaalsContact O-NE2 3.1Å; T415-Q644 HydrophobicContact CG2-CG 4.17Å; D642-Q644 PolarHBondContact O-N 2.94Å; Q644-S648 VanDerWaalsContact O-CB 3.22Å; Q644-S648 WeakPolarHBondContact O-CB 3.29Å; Q644-S648 PolarHBondContact O-N 2.97Å; Q644-S648 PolarHBondContact O-OG 2.65Å; Q644-Y673 HydrophobicContact CB-CD2 3.89Å; Q644-Y673 HydrophobicContact CB-CE2 3.52Å; Q644-Y673 HydrophobicContact CG-CE2 3.68Å; Q644-Y673 PolarHBondContact NE2-OH 3.37Å
645	M	93.8	Very high	91.1	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-66	-43.4	177.6	-176.4	53.9	177	0	0	111.6	V445 T448 W449 Y637 D642 V643 V647 S648 V649	V445-M645 HydrophobicContact CG1-CE 4.04Å; V445-M645 HydrophobicContact CG1-CG 4.38Å; V445-M645 HydrophobicContact CG1-SD 3.72Å; T448-M645 HydrophobicContact CG2-CE 3.33Å; W449-M645 HydrophobicContact CD2-CE 4.2Å; W449-M645 HydrophobicContact CG-CE 4.24Å; W449-M645 HydrophobicContact CZ2-CE 4.38Å; W449-M645 HydrophobicContact CZ2-SD 4.07Å; Y637-M645 HydrophobicContact CD1-CB 4.25Å; Y637-M645 HydrophobicContact CD1-CG 4.15Å; Y637-M645 HydrophobicContact CD2-CG 4.05Å; Y637-M645 HydrophobicContact CE1-CG 4.26Å; Y637-M645 HydrophobicContact CE2-CG 4.17Å; Y637-M645 HydrophobicContact CG-CB 4.29Å; Y637-M645 HydrophobicContact CG-CG 4.05Å; D642-M645 HydrophobicContact CB-CB 4.45Å; D642-M645 VanDerWaalsContact CG-CB 3.49Å; D642-M645 PolarHBondContact O-N 3.15Å; D642-M645 VanDerWaalsContact O-N 3.1Å; D642-M645 WeakPolarHBondContact OD1-CB 3.32Å; D642-M645 PolarHBondContact OD1-N 3.18Å; D642-M645 VanDerWaalsContact OD1-N 3.12Å; D642-M645 WeakPolarHBondContact OD2-CB 3.23Å; V643-M645 PolarHBondContact O-N 3.27Å; M645-V647 PolarHBondContact O-N 3Å; M645-S648 PolarHBondContact O-N 3.46Å; M645-V649 HydrophobicContact CE-CG2 3.56Å; M645-V649 WeakPolarHBondContact O-CG2 3.22Å; M645-V649 PolarHBondContact O-N 3.45Å; M645-V649 VanDerWaalsContact O-N 3.09Å; M645-V649 HydrophobicContact SD-CG2 3.87Å
646	A	93	Very high	90.7	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-58.2	-50	179	0	0	0	0	0	112.1	A638 D642 V643 L650 W669	A638-A646 HydrophobicContact CB-CB 4.27Å; D642-A646 PolarHBondContact O-N 3.44Å; V643-A646 PolarHBondContact O-N 3.4Å; A646-L650 WeakPolarHBondContact O-CG 3.4Å; A646-L650 PolarHBondContact O-N 2.96Å; A646-W669 HydrophobicContact CB-CD2 4.27Å; A646-W669 HydrophobicContact CB-CE3 3.81Å; A646-W669 HydrophobicContact CB-CZ3 4.17Å
647	V	94.8	Very high	90.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-70.6	-38.1	179.5	175.7	0	0	0	0	112.3	V643 M645 V649 L650 I651 W669 Y670 Y673 V689	V643-V647 HydrophobicContact CG1-CG2 4.12Å; V643-V647 WeakPolarHBondContact O-CB 3.34Å; V643-V647 WeakPolarHBondContact O-CG2 3.2Å; V643-V647 PolarHBondContact O-N 3.06Å; M645-V647 PolarHBondContact O-N 3Å; V647-V649 VanDerWaalsContact C-N 3.31Å; V647-V649 PolarHBondContact O-N 3.03Å; V647-L650 PolarHBondContact O-N 3.02Å; V647-I651 HydrophobicContact CG1-CD1 3.88Å; V647-I651 HydrophobicContact CG1-CG1 4.4Å; V647-I651 WeakPolarHBondContact O-CG1 3.47Å; V647-I651 PolarHBondContact O-N 3.35Å; V647-W669 HydrophobicContact CG2-CB 3.91Å; V647-W669 WeakPolarHBondContact CG2-O 3.34Å; V647-Y670 HydrophobicContact CG1-CD1 3.48Å; V647-Y670 VanDerWaalsContact CG1-CD1 3.48Å; V647-Y670 HydrophobicContact CG1-CE1 3.49Å; V647-Y670 VanDerWaalsContact CG1-CE1 3.49Å; V647-Y670 HydrophobicContact CG1-CG 4.32Å; V647-Y670 HydrophobicContact CG2-CD1 4.41Å; V647-Y673 HydrophobicContact CB-CD1 3.76Å; V647-Y673 HydrophobicContact CB-CE1 4.47Å; V647-Y673 HydrophobicContact CB-CG 4.42Å; V647-Y673 HydrophobicContact CG1-CD1 3.71Å; V647-Y673 HydrophobicContact CG1-CE1 4.34Å; V647-Y673 HydrophobicContact CG2-CD1 4.31Å; V647-V689 HydrophobicContact CG1-CG1 4.05Å
648	S	94.9	Very high	89.7	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-61.6	-39.8	178.3	-60.1	0	0	0	0	112	Q644 M645 V652	Q644-S648 VanDerWaalsContact O-CB 3.22Å; Q644-S648 WeakPolarHBondContact O-CB 3.29Å; Q644-S648 PolarHBondContact O-N 2.97Å; Q644-S648 PolarHBondContact O-OG 2.65Å; M645-S648 PolarHBondContact O-N 3.46Å; S648-V652 WeakPolarHBondContact O-CG2 3.39Å; S648-V652 PolarHBondContact O-N 2.93Å; S648-V652 VanDerWaalsContact O-N 3.17Å
649	V	92.9	Very high	89.4	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-74.5	-38.1	176.7	172.9	0	0	0	0	111.9	W449 L452 L634 M645 V647 I651 V652 L653	W449-V649 HydrophobicContact CH2-CG2 3.74Å; W449-V649 HydrophobicContact CZ2-CG2 3.91Å; W449-V649 HydrophobicContact CZ3-CG2 4.06Å; L452-V649 HydrophobicContact CD1-CB 4.23Å; L452-V649 HydrophobicContact CD1-CG1 3.58Å; L452-V649 HydrophobicContact CD1-CG2 3.54Å; L452-V649 HydrophobicContact CD2-CG1 4.36Å; L634-V649 HydrophobicContact CD1-CG1 4.31Å; L634-V649 HydrophobicContact CD2-CB 3.63Å; L634-V649 HydrophobicContact CD2-CG1 3.71Å; L634-V649 HydrophobicContact CD2-CG2 4.28Å; M645-V649 HydrophobicContact CE-CG2 3.56Å; M645-V649 WeakPolarHBondContact O-CG2 3.22Å; M645-V649 PolarHBondContact O-N 3.45Å; M645-V649 VanDerWaalsContact O-N 3.09Å; M645-V649 HydrophobicContact SD-CG2 3.87Å; V647-V649 VanDerWaalsContact C-N 3.31Å; V647-V649 PolarHBondContact O-N 3.03Å; V649-I651 VanDerWaalsContact C-N 3.3Å; V649-I651 PolarHBondContact O-N 3.1Å; V649-V652 PolarHBondContact O-N 3.33Å; V649-L653 HydrophobicContact CG1-CD1 3.59Å; V649-L653 HydrophobicContact CG1-CG 4.12Å; V649-L653 WeakPolarHBondContact O-CB 3.31Å; V649-L653 PolarHBondContact O-N 3.5Å
650	L	92.2	Very high	89.2	Confident	2 Å²	2	40.3 Å²	40.3	1%	0.01	19%	0.191	C	C	.	.	H	α-helix	trans	-54.5	-46.2	172.4	-83.7	177.9	0	0	0	111.7	L634 A646 V647 G654 I657 I661 Q666 W669 Y670	L634-L650 HydrophobicContact CD1-CD2 4.41Å; A646-L650 WeakPolarHBondContact O-CG 3.4Å; A646-L650 PolarHBondContact O-N 2.96Å; V647-L650 PolarHBondContact O-N 3.02Å; L650-G654 WeakPolarHBondContact O-CA 3.22Å; L650-G654 PolarHBondContact O-N 3.39Å; L650-I657 HydrophobicContact CD2-CG2 3.97Å; L650-I661 HydrophobicContact CD2-CD1 3.75Å; L650-Q666 HydrophobicContact CD1-CG 4.22Å; L650-W669 HydrophobicContact CD1-CE3 3.72Å; L650-W669 HydrophobicContact CD1-CZ3 4.16Å; L650-Y670 HydrophobicContact CD1-CE2 4.31Å
651	I	93.3	Very high	89.2	Confident	18 Å²	18	33.2 Å²	33.2	9%	0.092	17%	0.165	C	C	.	.	H	α-helix	trans	-65.2	-47.3	178.4	-66.3	166.3	0	0	0	111.2	L421 V647 V649 L653 G654 Y670 V689 L692	L421-I651 HydrophobicContact CB-CG2 3.97Å; L421-I651 HydrophobicContact CD1-CD1 3.99Å; V647-I651 HydrophobicContact CG1-CD1 3.88Å; V647-I651 HydrophobicContact CG1-CG1 4.4Å; V647-I651 WeakPolarHBondContact O-CG1 3.47Å; V647-I651 PolarHBondContact O-N 3.35Å; V649-I651 VanDerWaalsContact C-N 3.3Å; V649-I651 PolarHBondContact O-N 3.1Å; I651-L653 PolarHBondContact O-N 2.95Å; I651-G654 PolarHBondContact O-N 2.92Å; I651-Y670 HydrophobicContact CD1-CE1 4.06Å; I651-Y670 HydrophobicContact CG1-CE1 3.93Å; I651-V689 HydrophobicContact CD1-CG1 4.35Å; I651-V689 HydrophobicContact CD1-CG2 4.48Å; I651-L692 HydrophobicContact CD1-CB 4.36Å; I651-L692 HydrophobicContact CG2-CB 3.7Å; I651-L692 HydrophobicContact CG2-CD1 4.04Å; I651-L692 HydrophobicContact CG2-CG 4.47Å
652	V	92.7	Very high	89.5	Confident	17 Å²	17	34.9 Å²	34.9	10%	0.103	16%	0.162	C	C	.	.	H	α-helix	trans	-72.3	-26.6	-174.6	173.4	0	0	0	0	113.3	L421 F426 L429 W449 S648 V649	L421-V652 HydrophobicContact CD2-CG2 4.15Å; F426-V652 HydrophobicContact CD2-CG1 3.79Å; F426-V652 HydrophobicContact CE2-CG1 3.92Å; L429-V652 HydrophobicContact CB-CG1 4.21Å; L429-V652 HydrophobicContact CD1-CG1 4.14Å; W449-V652 HydrophobicContact CH2-CB 4.15Å; W449-V652 HydrophobicContact CH2-CG1 4.48Å; W449-V652 HydrophobicContact CH2-CG2 4Å; W449-V652 HydrophobicContact CZ3-CB 4.1Å; W449-V652 HydrophobicContact CZ3-CG1 3.97Å; W449-V652 HydrophobicContact CZ3-CG2 4.29Å; S648-V652 WeakPolarHBondContact O-CG2 3.39Å; S648-V652 PolarHBondContact O-N 2.93Å; S648-V652 VanDerWaalsContact O-N 3.17Å; V649-V652 PolarHBondContact O-N 3.33Å
653	L	89.1	Confident	89.5	Confident	12 Å²	12	38.3 Å²	38.3	6%	0.063	18%	0.18	C	C	.	.	H	α-helix	trans	-87.8	-33	171.4	-70.7	174.9	0	0	0	113.1	F426 L452 F456 V630 V649 I651 E655 R656 I657	F426-L653 HydrophobicContact CE2-CD2 3.61Å; F426-L653 HydrophobicContact CE2-CG 4.49Å; F426-L653 HydrophobicContact CZ-CD2 3.91Å; L452-L653 HydrophobicContact CD2-CD1 4.26Å; F456-L653 HydrophobicContact CB-CD2 4.33Å; F456-L653 HydrophobicContact CD1-CD2 4.03Å; F456-L653 HydrophobicContact CD2-CD2 3.95Å; F456-L653 HydrophobicContact CE1-CD2 4.35Å; F456-L653 HydrophobicContact CE2-CD2 4.31Å; F456-L653 HydrophobicContact CG-CD2 3.84Å; F456-L653 HydrophobicContact CZ-CD2 4.49Å; V630-L653 HydrophobicContact CG1-CD1 3.87Å; V649-L653 HydrophobicContact CG1-CD1 3.59Å; V649-L653 HydrophobicContact CG1-CG 4.12Å; V649-L653 WeakPolarHBondContact O-CB 3.31Å; V649-L653 PolarHBondContact O-N 3.5Å; I651-L653 PolarHBondContact O-N 2.95Å; L653-E655 PolarHBondContact O-N 2.72Å; L653-R656 HydrophobicContact CB-CB 4.48Å; L653-R656 VanDerWaalsContact O-CB 3.31Å; L653-R656 WeakPolarHBondContact O-CB 3.23Å; L653-R656 PolarHBondContact O-N 2.92Å; L653-R656 VanDerWaalsContact O-N 3.07Å; L653-I657 HydrophobicContact CB-CB 4.13Å; L653-I657 HydrophobicContact CB-CG2 3.58Å; L653-I657 HydrophobicContact CD1-CB 4.01Å; L653-I657 HydrophobicContact CD1-CG1 4.42Å; L653-I657 HydrophobicContact CD1-CG2 3.98Å; L653-I657 HydrophobicContact CG-CG2 4.45Å
654	G	86.3	Confident	89.4	Confident	12 Å²	12	43.8 Å²	43.8	12%	0.124	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	51.5	-129.5	-179	0	0	0	0	0	113.2	L650 I651 R656 I657 R658	L650-G654 WeakPolarHBondContact O-CA 3.22Å; L650-G654 PolarHBondContact O-N 3.39Å; I651-G654 PolarHBondContact O-N 2.92Å; G654-R656 PolarHBondContact O-N 3.35Å; G654-I657 PolarHBondContact O-N 3.22Å; G654-R658 PolarHBondContact O-N 2.97Å
655	E	82.5	Confident	89.3	Confident	106 Å²	106	45.8 Å²	45.8	50%	0.495	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-58.3	-13	179	-66.5	-62.3	145.2	0	0	114.6	L653 I657 R658	L653-E655 PolarHBondContact O-N 2.72Å; E655-I657 VanDerWaalsContact C-N 3.29Å; E655-I657 PolarHBondContact O-N 3.48Å; E655-R658 WeakPolarHBondContact OE1-CD 3.5Å; E655-R658 IonicContact OE1-CZ 3.34Å; E655-R658 IonicContact OE1-NE 3.61Å; E655-R658 IonicContact OE1-NH1 3.15Å; E655-R658 PolarHBondContact OE1-NH1 3.03Å
656	R	84.5	Confident	89.3	Confident	108 Å²	108	45.7 Å²	45.7	41%	0.408	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-68.8	-24.7	173.1	-62.8	-171.5	175.7	-143.7	-3.7	113.1	F456 D458 C627 L653 G654	F456-R656 HydrophobicContact CD1-CB 4.45Å; F456-R656 HydrophobicContact CE1-CB 4.49Å; F456-R656 PolarHBondContact O-NH1 3.04Å; D458-R656 IonicContact OD2-CZ 3.19Å; D458-R656 IonicContact OD2-NH1 2.72Å; D458-R656 PolarHBondContact OD2-NH1 3.23Å; D458-R656 IonicContact OD2-NH2 3.91Å; D458-R656 PolarHBondContact OD2-NH2 3.47Å; C627-R656 PolarHBondContact SG-O 2.99Å; C627-R656 VanDerWaalsContact SG-O 3.35Å; L653-R656 HydrophobicContact CB-CB 4.48Å; L653-R656 VanDerWaalsContact O-CB 3.31Å; L653-R656 WeakPolarHBondContact O-CB 3.23Å; L653-R656 PolarHBondContact O-N 2.92Å; L653-R656 VanDerWaalsContact O-N 3.07Å; G654-R656 PolarHBondContact O-N 3.35Å
657	I	85.2	Confident	89.3	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.005	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.3	-20.9	-178.8	-164.3	63.6	0	0	0	113.5	C627 V630 L634 L650 L653 G654 E655 K659 E660 I661	C627-I657 HydrophobicContact CB-CD1 3.98Å; V630-I657 HydrophobicContact CB-CD1 3.9Å; V630-I657 HydrophobicContact CG1-CD1 3.78Å; V630-I657 HydrophobicContact CG1-CG1 4.01Å; L634-I657 HydrophobicContact CD1-CG1 4.4Å; L650-I657 HydrophobicContact CD2-CG2 3.97Å; L653-I657 HydrophobicContact CB-CB 4.13Å; L653-I657 HydrophobicContact CB-CG2 3.58Å; L653-I657 HydrophobicContact CD1-CB 4.01Å; L653-I657 HydrophobicContact CD1-CG1 4.42Å; L653-I657 HydrophobicContact CD1-CG2 3.98Å; L653-I657 HydrophobicContact CG-CG2 4.45Å; G654-I657 PolarHBondContact O-N 3.22Å; E655-I657 VanDerWaalsContact C-N 3.29Å; E655-I657 PolarHBondContact O-N 3.48Å; I657-K659 PolarHBondContact O-N 3.06Å; I657-E660 HydrophobicContact CD1-CB 4.22Å; I657-E660 HydrophobicContact CD1-CG 4.27Å; I657-E660 WeakPolarHBondContact O-CB 3.42Å; I657-E660 PolarHBondContact O-N 3.09Å; I657-I661 HydrophobicContact CG1-CD1 4.49Å
658	R	79.4	Confident	89.2	Confident	71 Å²	71	54.4 Å²	54.4	27%	0.268	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-47.2	-36.9	-172.4	-175.1	-170.7	173.6	179.2	-1.5	115.3	G654 E655 E660 Q666 T694	G654-R658 PolarHBondContact O-N 2.97Å; E655-R658 WeakPolarHBondContact OE1-CD 3.5Å; E655-R658 IonicContact OE1-CZ 3.34Å; E655-R658 IonicContact OE1-NE 3.61Å; E655-R658 IonicContact OE1-NH1 3.15Å; E655-R658 PolarHBondContact OE1-NH1 3.03Å; R658-E660 VanDerWaalsContact C-N 3.26Å; R658-E660 PolarHBondContact O-N 2.85Å; R658-Q666 PolarHBondContact O-NE2 2.94Å; R658-T694 PolarHBondContact NH1-O 3.46Å; R658-T694 PolarHBondContact NH2-O 2.84Å
659	K	84	Confident	89.2	Confident	182 Å²	182	55.2 Å²	55.2	79%	0.791	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-80.6	-3.3	-173.8	-61.5	-178.4	-178.1	178.3	0	114.4	I657	I657-K659 PolarHBondContact O-N 3.06Å
660	E	86.4	Confident	89.3	Confident	73 Å²	73	55.2 Å²	55.2	34%	0.341	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-102.2	-9.4	-172.8	-58.3	-88.3	169.6	0	0	112.4	C627 R631 I657 R658	C627-E660 HydrophobicContact CB-CG 3.75Å; R631-E660 WeakPolarHBondContact CD-O 3.49Å; I657-E660 HydrophobicContact CD1-CB 4.22Å; I657-E660 HydrophobicContact CD1-CG 4.27Å; I657-E660 WeakPolarHBondContact O-CB 3.42Å; I657-E660 PolarHBondContact O-N 3.09Å; R658-E660 VanDerWaalsContact C-N 3.26Å; R658-E660 PolarHBondContact O-N 2.85Å
661	I	88.1	Confident	89.3	Confident	13 Å²	13	58.2 Å²	58.2	7%	0.067	28%	0.279	C	S	.	.	S	Bend	trans	-125.9	134.4	177.5	-60.1	157.1	0	0	0	106.6	R631 L634 L650 I657 T665 Q666 W669	R631-I661 HydrophobicContact CB-CG1 4.35Å; R631-I661 HydrophobicContact CG-CG1 3.83Å; L634-I661 HydrophobicContact CD1-CD1 3.98Å; L650-I661 HydrophobicContact CD2-CD1 3.75Å; I657-I661 HydrophobicContact CG1-CD1 4.49Å; I661-T665 HydrophobicContact CG2-CG2 3.85Å; I661-Q666 HydrophobicContact CB-CG 4.2Å; I661-Q666 HydrophobicContact CG2-CG 3.81Å; I661-Q666 PolarHBondContact O-NE2 2.83Å; I661-W669 HydrophobicContact CD1-CH2 4.25Å; I661-W669 HydrophobicContact CD1-CZ3 3.97Å; I661-W669 HydrophobicContact CG2-CH2 4.45Å
662	D	90.9	Very high	89.3	Confident	86 Å²	86	58.9 Å²	58.9	46%	0.46	29%	0.285	S	S	.	.			trans	-64.8	149	178.7	59	-74.8	0	0	0	112.5	L664 T665 Q666	D662-L664 PolarHBondContact O-N 2.81Å; D662-T665 VanDerWaalsContact CG-OG1 3.24Å; D662-T665 PolarHBondContact O-N 2.9Å; D662-T665 WeakPolarHBondContact OD1-CB 3.18Å; D662-T665 PolarHBondContact OD1-OG1 3.01Å; D662-T665 VanDerWaalsContact OD2-CB 3.27Å; D662-T665 WeakPolarHBondContact OD2-CB 3.45Å; D662-T665 PolarHBondContact OD2-N 3.49Å; D662-T665 PolarHBondContact OD2-OG1 2.88Å; D662-Q666 PolarHBondContact O-N 3.17Å
663	D	89.1	Confident	89.4	Confident	85 Å²	85	58.2 Å²	58.2	46%	0.455	28%	0.281	S	S	.	.	H	α-helix	trans	-62.2	-27.1	-176.7	-74.4	-59.6	0	0	0	112.6	E667	D663-E667 WeakPolarHBondContact O-CB 3.34Å; D663-E667 PolarHBondContact O-N 3.28Å
664	L	91.4	Very high	89.6	Confident	131 Å²	131	58 Å²	58	69%	0.686	28%	0.279	S	S	*	.	H	α-helix	trans	-71.2	-44.4	177.5	-68.3	172.9	0	0	0	112.1	D662 Q666 E667 H668	D662-L664 PolarHBondContact O-N 2.81Å; L664-Q666 VanDerWaalsContact C-N 3.35Å; L664-E667 PolarHBondContact O-N 3.35Å; L664-H668 WeakPolarHBondContact O-CB 3.44Å; L664-H668 PolarHBondContact O-N 3.44Å
665	T	91.8	Very high	89.8	Confident	43 Å²	43	60.5 Å²	60.5	26%	0.264	29%	0.29	S	S	.	.	H	α-helix	trans	-65	-39.9	173.8	-64.2	0	0	0	0	110.9	I661 D662 H668 W669	I661-T665 HydrophobicContact CG2-CG2 3.85Å; D662-T665 VanDerWaalsContact CG-OG1 3.24Å; D662-T665 PolarHBondContact O-N 2.9Å; D662-T665 WeakPolarHBondContact OD1-CB 3.18Å; D662-T665 PolarHBondContact OD1-OG1 3.01Å; D662-T665 VanDerWaalsContact OD2-CB 3.27Å; D662-T665 WeakPolarHBondContact OD2-CB 3.45Å; D662-T665 PolarHBondContact OD2-N 3.49Å; D662-T665 PolarHBondContact OD2-OG1 2.88Å; T665-H668 PolarHBondContact O-N 2.99Å; T665-W669 HydrophobicContact CG2-CD2 4.16Å; T665-W669 VanDerWaalsContact CG2-CE2 3.45Å; T665-W669 HydrophobicContact CG2-CH2 4.2Å; T665-W669 HydrophobicContact CG2-CZ2 3.48Å; T665-W669 VanDerWaalsContact CG2-CZ2 3.48Å; T665-W669 VanDerWaalsContact O-CG 3.29Å; T665-W669 PolarHBondContact O-N 3.33Å
666	Q	92.4	Very high	90.1	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-59.2	-51.7	171	-70.2	-177.7	64	0	0	111	L650 R658 I661 D662 L664 H668 W669 Y670	L650-Q666 HydrophobicContact CD1-CG 4.22Å; R658-Q666 PolarHBondContact O-NE2 2.94Å; I661-Q666 HydrophobicContact CB-CG 4.2Å; I661-Q666 HydrophobicContact CG2-CG 3.81Å; I661-Q666 PolarHBondContact O-NE2 2.83Å; D662-Q666 PolarHBondContact O-N 3.17Å; L664-Q666 VanDerWaalsContact C-N 3.35Å; Q666-H668 VanDerWaalsContact C-N 3.33Å; Q666-H668 PolarHBondContact O-N 3.08Å; Q666-W669 PolarHBondContact O-N 2.84Å; Q666-Y670 HydrophobicContact CB-CD2 4.4Å; Q666-Y670 HydrophobicContact CB-CE2 4.43Å; Q666-Y670 WeakPolarHBondContact O-CD2 3.41Å; Q666-Y670 PolarHBondContact O-N 3.47Å
667	E	93.3	Very high	90.4	Very high	62 Å²	62	52.6 Å²	52.6	29%	0.29	26%	0.259	S	S	.	.	H	α-helix	trans	-55.4	-47.3	178	-171.9	-174.2	159.3	0	0	111.2	D663 L664 W669 Y670 M671 A697 I698	D663-E667 WeakPolarHBondContact O-CB 3.34Å; D663-E667 PolarHBondContact O-N 3.28Å; L664-E667 PolarHBondContact O-N 3.35Å; E667-W669 VanDerWaalsContact C-N 3.35Å; E667-W669 PolarHBondContact O-N 2.8Å; E667-Y670 PolarHBondContact O-N 3.21Å; E667-M671 HydrophobicContact CG-CE 4.2Å; E667-M671 HydrophobicContact CG-CG 4.12Å; E667-M671 VanDerWaalsContact O-CB 3.32Å; E667-M671 WeakPolarHBondContact O-CB 3.27Å; E667-M671 WeakPolarHBondContact O-CG 3.33Å; E667-M671 PolarHBondContact O-N 2.98Å; E667-A697 HydrophobicContact CG-CB 4.02Å; E667-A697 WeakPolarHBondContact OE2-CB 3.37Å; E667-I698 HydrophobicContact CB-CD1 4.47Å; E667-I698 HydrophobicContact CG-CD1 3.8Å; E667-I698 HydrophobicContact CG-CG1 4.47Å
668	H	93.6	Very high	90.5	Very high	121 Å²	121	55.6 Å²	55.6	56%	0.56	27%	0.273	S	S	*	.	H	α-helix	trans	-59.6	-41.7	178.7	-178.9	54.2	0	0	0	112.8	L664 T665 Q666 S672	L664-H668 WeakPolarHBondContact O-CB 3.44Å; L664-H668 PolarHBondContact O-N 3.44Å; T665-H668 PolarHBondContact O-N 2.99Å; Q666-H668 VanDerWaalsContact C-N 3.33Å; Q666-H668 PolarHBondContact O-N 3.08Å; H668-S672 VanDerWaalsContact O-CB 3.28Å; H668-S672 WeakPolarHBondContact O-CB 3.27Å; H668-S672 PolarHBondContact O-N 3.09Å; H668-S672 PolarHBondContact O-OG 3.18Å
669	W	94.9	Very high	90.7	Very high	17 Å²	17	59.3 Å²	59.3	6%	0.064	29%	0.287	C	S	.	.	H	α-helix	trans	-69.1	-46.8	177	-65	-2.7	0	0	0	112	L634 A638 V643 A646 V647 L650 I661 T665 Q666 E667 S672 Y673	L634-W669 HydrophobicContact CB-CH2 3.84Å; L634-W669 HydrophobicContact CB-CZ3 3.73Å; A638-W669 HydrophobicContact CB-CD2 4.06Å; A638-W669 HydrophobicContact CB-CG 4.34Å; A638-W669 HydrophobicContact CB-CZ2 3.91Å; V643-W669 HydrophobicContact CG1-CB 3.75Å; V643-W669 HydrophobicContact CG1-CG 4.26Å; V643-W669 WeakPolarHBondContact CG1-O 3.45Å; A646-W669 HydrophobicContact CB-CD2 4.27Å; A646-W669 HydrophobicContact CB-CE3 3.81Å; A646-W669 HydrophobicContact CB-CZ3 4.17Å; V647-W669 HydrophobicContact CG2-CB 3.91Å; V647-W669 WeakPolarHBondContact CG2-O 3.34Å; L650-W669 HydrophobicContact CD1-CE3 3.72Å; L650-W669 HydrophobicContact CD1-CZ3 4.16Å; I661-W669 HydrophobicContact CD1-CH2 4.25Å; I661-W669 HydrophobicContact CD1-CZ3 3.97Å; I661-W669 HydrophobicContact CG2-CH2 4.45Å; T665-W669 HydrophobicContact CG2-CD2 4.16Å; T665-W669 VanDerWaalsContact CG2-CE2 3.45Å; T665-W669 HydrophobicContact CG2-CH2 4.2Å; T665-W669 HydrophobicContact CG2-CZ2 3.48Å; T665-W669 VanDerWaalsContact CG2-CZ2 3.48Å; T665-W669 VanDerWaalsContact O-CG 3.29Å; T665-W669 PolarHBondContact O-N 3.33Å; Q666-W669 PolarHBondContact O-N 2.84Å; E667-W669 VanDerWaalsContact C-N 3.35Å; E667-W669 PolarHBondContact O-N 2.8Å; W669-S672 PolarHBondContact O-N 2.81Å; W669-Y673 PolarHBondContact O-N 3.07Å
670	Y	94.6	Very high	90.8	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-58	-51.1	175.7	-82.6	-73.7	0	0	0	111.1	V647 L650 I651 Q666 E667 S672 Y673 I674 V689 T694 C695 I698	V647-Y670 HydrophobicContact CG1-CD1 3.48Å; V647-Y670 VanDerWaalsContact CG1-CD1 3.48Å; V647-Y670 HydrophobicContact CG1-CE1 3.49Å; V647-Y670 VanDerWaalsContact CG1-CE1 3.49Å; V647-Y670 HydrophobicContact CG1-CG 4.32Å; V647-Y670 HydrophobicContact CG2-CD1 4.41Å; L650-Y670 HydrophobicContact CD1-CE2 4.31Å; I651-Y670 HydrophobicContact CD1-CE1 4.06Å; I651-Y670 HydrophobicContact CG1-CE1 3.93Å; Q666-Y670 HydrophobicContact CB-CD2 4.4Å; Q666-Y670 HydrophobicContact CB-CE2 4.43Å; Q666-Y670 WeakPolarHBondContact O-CD2 3.41Å; Q666-Y670 PolarHBondContact O-N 3.47Å; E667-Y670 PolarHBondContact O-N 3.21Å; Y670-S672 VanDerWaalsContact C-N 3.33Å; Y670-S672 PolarHBondContact O-N 3.32Å; Y670-Y673 PolarHBondContact O-N 3.28Å; Y670-I674 WeakPolarHBondContact O-CB 3.3Å; Y670-I674 WeakPolarHBondContact O-CD1 3.44Å; Y670-I674 WeakPolarHBondContact O-CG1 3.46Å; Y670-I674 PolarHBondContact O-N 3.32Å; Y670-V689 HydrophobicContact CD1-CG1 4.13Å; Y670-T694 PolarHBondContact OH-N 2.84Å; Y670-T694 PolarHBondContact OH-OG1 3.42Å; Y670-C695 HydrophobicContact CD2-CB 4.39Å; Y670-C695 HydrophobicContact CE2-CB 4.38Å; Y670-I698 VanDerWaalsContact CB-CD1 3.47Å; Y670-I698 HydrophobicContact CD1-CG2 4.36Å; Y670-I698 HydrophobicContact CD2-CG1 4.02Å; Y670-I698 HydrophobicContact CG-CD1 4.39Å; Y670-I698 HydrophobicContact CG-CG1 3.88Å; Y670-I698 HydrophobicContact CG-CG2 4.31Å
671	M	92.9	Very high	90.8	Very high	64 Å²	64	55.7 Å²	55.7	32%	0.315	27%	0.272	S	S	.	.	H	α-helix	trans	-56.9	-44.4	177.8	-70.9	-69.8	-167.7	0	0	112	E667 I674 D675 I698 L701	E667-M671 HydrophobicContact CG-CE 4.2Å; E667-M671 HydrophobicContact CG-CG 4.12Å; E667-M671 VanDerWaalsContact O-CB 3.32Å; E667-M671 WeakPolarHBondContact O-CB 3.27Å; E667-M671 WeakPolarHBondContact O-CG 3.33Å; E667-M671 PolarHBondContact O-N 2.98Å; M671-I674 PolarHBondContact O-N 2.97Å; M671-D675 WeakPolarHBondContact O-CB 3.28Å; M671-D675 PolarHBondContact O-N 2.99Å; M671-I698 HydrophobicContact CE-CD1 3.92Å; M671-I698 HydrophobicContact CG-CD1 3.76Å; M671-I698 HydrophobicContact SD-CD1 3.99Å; M671-L701 HydrophobicContact CE-CD1 4.17Å; M671-L701 HydrophobicContact CE-CD2 4.19Å; M671-L701 HydrophobicContact SD-CD1 4Å
672	S	93.1	Very high	90.7	Very high	32 Å²	32	55.9 Å²	55.9	22%	0.224	27%	0.274	C	S	.	.	H	α-helix	trans	-67.7	-37.1	-179.6	-58.2	0	0	0	0	112.6	H668 W669 Y670 L676	H668-S672 VanDerWaalsContact O-CB 3.28Å; H668-S672 WeakPolarHBondContact O-CB 3.27Å; H668-S672 PolarHBondContact O-N 3.09Å; H668-S672 PolarHBondContact O-OG 3.18Å; W669-S672 PolarHBondContact O-N 2.81Å; Y670-S672 VanDerWaalsContact C-N 3.33Å; Y670-S672 PolarHBondContact O-N 3.32Å; S672-L676 WeakPolarHBondContact O-CG 3.14Å; S672-L676 PolarHBondContact O-N 2.95Å
673	Y	94.8	Very high	90.4	Very high	3 Å²	3	54.7 Å²	54.7	1%	0.012	26%	0.263	C	S	.	.	H	α-helix	trans	-71.1	-39.2	173.6	-176.8	-142.8	0	0	0	112	F412 Q644 V647 W669 Y670 L676 L677 V689	F412-Y673 AromaticContact CE2-CD2 3.87Å; F412-Y673 HydrophobicContact CE2-CD2 3.87Å; F412-Y673 AromaticContact CE2-CE2 3.64Å; F412-Y673 HydrophobicContact CE2-CE2 3.64Å; F412-Y673 AromaticContact CZ-CD2 3.84Å; F412-Y673 HydrophobicContact CZ-CD2 3.84Å; F412-Y673 AromaticContact CZ-CE2 3.58Å; F412-Y673 HydrophobicContact CZ-CE2 3.58Å; Q644-Y673 HydrophobicContact CB-CD2 3.89Å; Q644-Y673 HydrophobicContact CB-CE2 3.52Å; Q644-Y673 HydrophobicContact CG-CE2 3.68Å; Q644-Y673 PolarHBondContact NE2-OH 3.37Å; V647-Y673 HydrophobicContact CB-CD1 3.76Å; V647-Y673 HydrophobicContact CB-CE1 4.47Å; V647-Y673 HydrophobicContact CB-CG 4.42Å; V647-Y673 HydrophobicContact CG1-CD1 3.71Å; V647-Y673 HydrophobicContact CG1-CE1 4.34Å; V647-Y673 HydrophobicContact CG2-CD1 4.31Å; W669-Y673 PolarHBondContact O-N 3.07Å; Y670-Y673 PolarHBondContact O-N 3.28Å; Y673-L676 PolarHBondContact O-N 3.48Å; Y673-L677 HydrophobicContact CD1-CD1 4.16Å; Y673-L677 HydrophobicContact CD2-CD1 4.21Å; Y673-L677 HydrophobicContact CD2-CG 4.02Å; Y673-L677 HydrophobicContact CE1-CD1 3.91Å; Y673-L677 HydrophobicContact CE2-CD1 3.93Å; Y673-L677 HydrophobicContact CE2-CD2 3.8Å; Y673-L677 HydrophobicContact CE2-CG 3.73Å; Y673-L677 HydrophobicContact CG-CD1 4.32Å; Y673-L677 VanDerWaalsContact O-CG 3.32Å; Y673-L677 WeakPolarHBondContact O-CG 3.09Å; Y673-L677 PolarHBondContact O-N 2.91Å; Y673-V689 HydrophobicContact CD1-CG1 4.03Å; Y673-V689 HydrophobicContact CD1-CG2 4.2Å; Y673-V689 HydrophobicContact CE1-CG1 4.36Å; Y673-V689 HydrophobicContact CE1-CG2 3.69Å
674	I	92.3	Very high	90.1	Very high	7 Å²	7	53 Å²	53	4%	0.036	25%	0.254	C	S	.	.	H	α-helix	trans	-60.5	-48	175.3	-74.6	162.2	0	0	0	111.1	Y670 M671 L676 L677 Q678 V689 I690 I698 L701	Y670-I674 WeakPolarHBondContact O-CB 3.3Å; Y670-I674 WeakPolarHBondContact O-CD1 3.44Å; Y670-I674 WeakPolarHBondContact O-CG1 3.46Å; Y670-I674 PolarHBondContact O-N 3.32Å; M671-I674 PolarHBondContact O-N 2.97Å; I674-L676 PolarHBondContact O-N 2.79Å; I674-L677 PolarHBondContact O-N 3.5Å; I674-Q678 VanDerWaalsContact CG2-NE2 3.29Å; I674-Q678 VanDerWaalsContact O-CG 3.31Å; I674-Q678 WeakPolarHBondContact O-CG 3.28Å; I674-Q678 PolarHBondContact O-N 2.83Å; I674-V689 HydrophobicContact CG1-CG1 4.13Å; I674-I690 HydrophobicContact CD1-CD1 4.21Å; I674-I690 HydrophobicContact CD1-CG1 3.46Å; I674-I690 VanDerWaalsContact CD1-CG1 3.46Å; I674-I690 HydrophobicContact CG1-CG1 4.03Å; I674-I690 HydrophobicContact CG2-CD1 4.42Å; I674-I698 HydrophobicContact CD1-CG2 3.74Å; I674-L701 HydrophobicContact CD1-CD1 4.32Å
675	D	90.2	Very high	89.9	Confident	65 Å²	65	47.7 Å²	47.7	35%	0.348	23%	0.227	S	C	.	.	H	α-helix	trans	-59.1	-43.9	175.7	173.5	40.4	0	0	0	111.6	M671 Q678 R679	M671-D675 WeakPolarHBondContact O-CB 3.28Å; M671-D675 PolarHBondContact O-N 2.99Å; D675-Q678 PolarHBondContact O-N 3.08Å; D675-R679 WeakPolarHBondContact O-CB 3.28Å; D675-R679 WeakPolarHBondContact O-CG 3.41Å; D675-R679 PolarHBondContact O-N 3.44Å; D675-R679 IonicContact OD1-CZ 2.72Å; D675-R679 IonicContact OD1-NE 2.64Å; D675-R679 PolarHBondContact OD1-NE 3.39Å; D675-R679 IonicContact OD1-NH2 3.43Å; D675-R679 PolarHBondContact OD1-NH2 3.3Å; D675-R679 IonicContact OD2-CZ 2.75Å; D675-R679 IonicContact OD2-NE 3.64Å; D675-R679 PolarHBondContact OD2-NE 3.14Å; D675-R679 VanDerWaalsContact OD2-NE 3.13Å; D675-R679 IonicContact OD2-NH2 3.98Å; D675-R679 PolarHBondContact OD2-NH2 2.94Å
676	L	89.7	Confident	89.7	Confident	48 Å²	48	45.7 Å²	45.7	25%	0.251	22%	0.215	S	C	.	.	H	α-helix	trans	-61.2	-45.7	173.2	-71.6	170.8	0	0	0	112.6	F412 S672 Y673 I674 Q678 R679 F680	F412-L676 HydrophobicContact CE1-CB 4.37Å; F412-L676 HydrophobicContact CE2-CB 4.19Å; F412-L676 HydrophobicContact CE2-CD1 4.24Å; F412-L676 HydrophobicContact CZ-CB 3.62Å; F412-L676 HydrophobicContact CZ-CD1 4.5Å; S672-L676 WeakPolarHBondContact O-CG 3.14Å; S672-L676 PolarHBondContact O-N 2.95Å; Y673-L676 PolarHBondContact O-N 3.48Å; I674-L676 PolarHBondContact O-N 2.79Å; L676-Q678 VanDerWaalsContact C-N 3.34Å; L676-Q678 PolarHBondContact O-N 3.14Å; L676-R679 PolarHBondContact O-N 2.72Å; L676-F680 VanDerWaalsContact O-CD2 3.28Å; L676-F680 WeakPolarHBondContact O-CD2 3.19Å; L676-F680 PolarHBondContact O-N 3.02Å
677	L	90.4	Very high	89.4	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-60.6	-42.2	177	-71.3	171.5	0	0	0	111.8	F412 A416 Y673 I674 F680 E681 L682 V685 V689	F412-L677 HydrophobicContact CE1-CD2 4.03Å; F412-L677 HydrophobicContact CZ-CD2 4.08Å; F412-L677 HydrophobicContact CZ-CG 4.36Å; A416-L677 HydrophobicContact CB-CD2 3.71Å; Y673-L677 HydrophobicContact CD1-CD1 4.16Å; Y673-L677 HydrophobicContact CD2-CD1 4.21Å; Y673-L677 HydrophobicContact CD2-CG 4.02Å; Y673-L677 HydrophobicContact CE1-CD1 3.91Å; Y673-L677 HydrophobicContact CE2-CD1 3.93Å; Y673-L677 HydrophobicContact CE2-CD2 3.8Å; Y673-L677 HydrophobicContact CE2-CG 3.73Å; Y673-L677 HydrophobicContact CG-CD1 4.32Å; Y673-L677 VanDerWaalsContact O-CG 3.32Å; Y673-L677 WeakPolarHBondContact O-CG 3.09Å; Y673-L677 PolarHBondContact O-N 2.91Å; I674-L677 PolarHBondContact O-N 3.5Å; L677-F680 CarbonylContact O-C 3.59Å; L677-F680 PolarHBondContact O-N 2.94Å; L677-E681 PolarHBondContact O-N 2.73Å; L677-L682 HydrophobicContact CB-CB 4.32Å; L677-L682 HydrophobicContact CD2-CB 4.04Å; L677-L682 HydrophobicContact CD2-CD1 3.78Å; L677-L682 WeakPolarHBondContact O-CB 3.23Å; L677-L682 PolarHBondContact O-N 3.17Å; L677-V685 HydrophobicContact CD1-CG1 4.1Å; L677-V685 HydrophobicContact CD2-CB 4.35Å; L677-V685 HydrophobicContact CD2-CG1 4.1Å; L677-V689 HydrophobicContact CD1-CB 4.44Å; L677-V689 HydrophobicContact CD1-CG2 4Å
678	Q	86.7	Confident	89.1	Confident	65 Å²	65	49.2 Å²	49.2	30%	0.304	23%	0.232	S	C	.	.	H	α-helix	trans	-65.9	-40.4	176.8	-70	178.4	15.9	0	0	112	I674 D675 L676 F680 E681 W683	I674-Q678 VanDerWaalsContact CG2-NE2 3.29Å; I674-Q678 VanDerWaalsContact O-CG 3.31Å; I674-Q678 WeakPolarHBondContact O-CG 3.28Å; I674-Q678 PolarHBondContact O-N 2.83Å; D675-Q678 PolarHBondContact O-N 3.08Å; L676-Q678 VanDerWaalsContact C-N 3.34Å; L676-Q678 PolarHBondContact O-N 3.14Å; Q678-F680 VanDerWaalsContact C-N 3.26Å; Q678-F680 PolarHBondContact O-N 3.03Å; Q678-E681 PolarHBondContact O-N 3.4Å; Q678-W683 HydrophobicContact CB-CE3 4.36Å; Q678-W683 HydrophobicContact CB-CH2 4.15Å; Q678-W683 HydrophobicContact CB-CZ3 3.68Å; Q678-W683 HydrophobicContact CG-CE3 4.01Å; Q678-W683 HydrophobicContact CG-CZ3 3.67Å; Q678-W683 WeakPolarHBondContact O-CH2 3.44Å
679	R	84.7	Confident	89	Confident	149 Å²	149	43.4 Å²	43.4	56%	0.562	21%	0.206	S	C	*	.	H	α-helix	trans	-63	-29.2	173.8	-70.8	171.9	-168	-150	8.4	113.3	L347 D675 L676 E681	L347-R679 HydrophobicContact CD1-CB 4.01Å; L347-R679 HydrophobicContact CD2-CB 3.9Å; L347-R679 VanDerWaalsContact CD2-O 3.24Å; L347-R679 WeakPolarHBondContact CD2-O 3.42Å; D675-R679 WeakPolarHBondContact O-CB 3.28Å; D675-R679 WeakPolarHBondContact O-CG 3.41Å; D675-R679 PolarHBondContact O-N 3.44Å; D675-R679 IonicContact OD1-CZ 2.72Å; D675-R679 IonicContact OD1-NE 2.64Å; D675-R679 PolarHBondContact OD1-NE 3.39Å; D675-R679 IonicContact OD1-NH2 3.43Å; D675-R679 PolarHBondContact OD1-NH2 3.3Å; D675-R679 IonicContact OD2-CZ 2.75Å; D675-R679 IonicContact OD2-NE 3.64Å; D675-R679 PolarHBondContact OD2-NE 3.14Å; D675-R679 VanDerWaalsContact OD2-NE 3.13Å; D675-R679 IonicContact OD2-NH2 3.98Å; D675-R679 PolarHBondContact OD2-NH2 2.94Å; L676-R679 PolarHBondContact O-N 2.72Å; R679-E681 VanDerWaalsContact C-N 3.33Å
680	F	85.8	Confident	88.7	Confident	30 Å²	30	43 Å²	43	13%	0.132	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	10.6	171.8	-77.1	-70.6	0	0	0	113.9	L347 M348 M409 F412 V413 L676 L677 Q678 L682	L347-F680 HydrophobicContact CD1-CD2 4.42Å; L347-F680 HydrophobicContact CD1-CE2 3.82Å; L347-F680 HydrophobicContact CD1-CZ 3.92Å; L347-F680 HydrophobicContact CD2-CD1 3.63Å; L347-F680 HydrophobicContact CD2-CD2 4.01Å; L347-F680 HydrophobicContact CD2-CE1 3.53Å; L347-F680 HydrophobicContact CD2-CE2 3.92Å; L347-F680 HydrophobicContact CD2-CG 3.86Å; L347-F680 HydrophobicContact CD2-CZ 3.67Å; L347-F680 HydrophobicContact CG-CD1 4.43Å; L347-F680 HydrophobicContact CG-CE1 3.85Å; L347-F680 HydrophobicContact CG-CE2 3.95Å; L347-F680 HydrophobicContact CG-CZ 3.56Å; M348-F680 HydrophobicContact CE-CE1 4.16Å; M409-F680 HydrophobicContact CB-CE1 4.13Å; M409-F680 HydrophobicContact CB-CE2 4.4Å; M409-F680 HydrophobicContact CB-CZ 3.57Å; M409-F680 HydrophobicContact CG-CZ 4.13Å; F412-F680 AromaticContact CD1-CD2 3.57Å; F412-F680 HydrophobicContact CD1-CD2 3.57Å; F412-F680 AromaticContact CD1-CE2 3.74Å; F412-F680 HydrophobicContact CD1-CE2 3.74Å; F412-F680 HydrophobicContact CD1-CG 4.3Å; F412-F680 AromaticContact CE1-CD2 3.43Å; F412-F680 HydrophobicContact CE1-CD2 3.43Å; F412-F680 VanDerWaalsContact CE1-CD2 3.43Å; F412-F680 AromaticContact CE1-CE2 3.94Å; F412-F680 HydrophobicContact CE1-CE2 3.94Å; F412-F680 HydrophobicContact CE1-CG 4.28Å; F412-F680 HydrophobicContact CG-CE2 4.45Å; F412-F680 HydrophobicContact CZ-CD2 4.4Å; V413-F680 HydrophobicContact CG2-CB 4.33Å; V413-F680 HydrophobicContact CG2-CD1 3.76Å; V413-F680 HydrophobicContact CG2-CE1 4.27Å; V413-F680 HydrophobicContact CG2-CG 4.05Å; L676-F680 VanDerWaalsContact O-CD2 3.28Å; L676-F680 WeakPolarHBondContact O-CD2 3.19Å; L676-F680 PolarHBondContact O-N 3.02Å; L677-F680 CarbonylContact O-C 3.59Å; L677-F680 PolarHBondContact O-N 2.94Å; Q678-F680 VanDerWaalsContact C-N 3.26Å; Q678-F680 PolarHBondContact O-N 3.03Å; F680-L682 HydrophobicContact CB-CD1 4.1Å; F680-L682 HydrophobicContact CB-CG 4.09Å; F680-L682 PolarHBondContact O-N 3.13Å
681	E	85.7	Confident	88.3	Confident	148 Å²	148	47.6 Å²	47.6	69%	0.692	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.2	22.7	-178.3	-54.4	-173.5	170.4	0	0	114.5	L677 Q678 R679 W683	L677-E681 PolarHBondContact O-N 2.73Å; Q678-E681 PolarHBondContact O-N 3.4Å; R679-E681 VanDerWaalsContact C-N 3.33Å; E681-W683 HydrophobicContact CB-CZ2 4.32Å; E681-W683 HydrophobicContact CG-CZ2 4.23Å; E681-W683 PolarHBondContact O-N 2.85Å; E681-W683 PolarHBondContact O-NE1 3.41Å
682	L	86.6	Confident	88.2	Confident	18 Å²	18	46.9 Å²	46.9	9%	0.094	22%	0.222	C	C	.	.			trans	-85.9	50.7	-178.9	-62.5	176.6	0	0	0	112.3	V413 A416 Q417 L677 F680 N684 V685 S686	V413-L682 HydrophobicContact CG1-CD1 4.33Å; V413-L682 HydrophobicContact CG1-CD2 4.32Å; V413-L682 HydrophobicContact CG2-CD1 4.39Å; A416-L682 HydrophobicContact CB-CD1 3.81Å; Q417-L682 HydrophobicContact CG-CD2 4.29Å; Q417-L682 VanDerWaalsContact NE2-CD2 3.35Å; L677-L682 HydrophobicContact CB-CB 4.32Å; L677-L682 HydrophobicContact CD2-CB 4.04Å; L677-L682 HydrophobicContact CD2-CD1 3.78Å; L677-L682 WeakPolarHBondContact O-CB 3.23Å; L677-L682 PolarHBondContact O-N 3.17Å; F680-L682 HydrophobicContact CB-CD1 4.1Å; F680-L682 HydrophobicContact CB-CG 4.09Å; F680-L682 PolarHBondContact O-N 3.13Å; L682-N684 VanDerWaalsContact C-N 3.31Å; L682-N684 PolarHBondContact O-N 3.42Å; L682-V685 HydrophobicContact CB-CB 4.38Å; L682-V685 HydrophobicContact CB-CG2 4.47Å; L682-V685 PolarHBondContact O-N 3.4Å; L682-V685 VanDerWaalsContact O-N 3.14Å; L682-S686 PolarHBondContact O-N 3.4Å
683	W	83.8	Confident	88	Confident	61 Å²	61	45.7 Å²	45.7	23%	0.231	21%	0.214	C	C	.	.	H	α-helix	trans	-53.8	-41.3	-172.8	-47.5	103.4	0	0	0	113.7	Q678 E681 S686 N687 Q751	Q678-W683 HydrophobicContact CB-CE3 4.36Å; Q678-W683 HydrophobicContact CB-CH2 4.15Å; Q678-W683 HydrophobicContact CB-CZ3 3.68Å; Q678-W683 HydrophobicContact CG-CE3 4.01Å; Q678-W683 HydrophobicContact CG-CZ3 3.67Å; Q678-W683 WeakPolarHBondContact O-CH2 3.44Å; E681-W683 HydrophobicContact CB-CZ2 4.32Å; E681-W683 HydrophobicContact CG-CZ2 4.23Å; E681-W683 PolarHBondContact O-N 2.85Å; E681-W683 PolarHBondContact O-NE1 3.41Å; W683-S686 WeakPolarHBondContact O-CB 3.39Å; W683-S686 PolarHBondContact O-N 3.29Å; W683-N687 VanDerWaalsContact O-CG 3.23Å; W683-N687 PolarHBondContact O-N 3.38Å; W683-N687 PolarHBondContact O-ND2 3.02Å; W683-Q751 HydrophobicContact CD2-CB 4.43Å; W683-Q751 HydrophobicContact CE3-CB 4.16Å
684	N	83.1	Confident	87.4	Confident	49 Å²	49	47 Å²	47	26%	0.262	22%	0.222	S	C	.	.	H	α-helix	trans	-68.3	-42.5	-179.4	-66.4	22.1	0	0	0	111.5	L682 N687 E688 L779 E781	L682-N684 VanDerWaalsContact C-N 3.31Å; L682-N684 PolarHBondContact O-N 3.42Å; N684-N687 PolarHBondContact O-N 3.29Å; N684-E688 PolarHBondContact O-N 3.22Å; N684-L779 PolarHBondContact ND2-O 2.91Å; N684-E781 PolarHBondContact ND2-OE2 3.43Å
685	V	87	Confident	87.1	Confident	20 Å²	20	46.9 Å²	46.9	12%	0.121	22%	0.221	C	C	.	.	H	α-helix	trans	-66.6	-39	175.8	-173.1	0	0	0	0	110.7	A416 L677 L682 N687 E688 V689	A416-V685 HydrophobicContact CB-CG1 4.24Å; A416-V685 WeakPolarHBondContact O-CG1 3.47Å; L677-V685 HydrophobicContact CD1-CG1 4.1Å; L677-V685 HydrophobicContact CD2-CB 4.35Å; L677-V685 HydrophobicContact CD2-CG1 4.1Å; L682-V685 HydrophobicContact CB-CB 4.38Å; L682-V685 HydrophobicContact CB-CG2 4.47Å; L682-V685 PolarHBondContact O-N 3.4Å; L682-V685 VanDerWaalsContact O-N 3.14Å; V685-N687 VanDerWaalsContact C-N 3.29Å; V685-N687 PolarHBondContact O-N 3.06Å; V685-E688 PolarHBondContact O-N 3.5Å; V685-V689 HydrophobicContact CG1-CG2 4.41Å; V685-V689 WeakPolarHBondContact O-CG2 3.38Å; V685-V689 PolarHBondContact O-N 3.16Å
686	S	89.3	Confident	86.8	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.007	23%	0.234	C	C	.	.	H	α-helix	trans	-57.8	-42.2	173	-176.7	0	0	0	0	111.6	L682 W683 I690	L682-S686 PolarHBondContact O-N 3.4Å; W683-S686 WeakPolarHBondContact O-CB 3.39Å; W683-S686 PolarHBondContact O-N 3.29Å; S686-I690 WeakPolarHBondContact O-CD1 3.39Å; S686-I690 VanDerWaalsContact O-CG1 3.23Å; S686-I690 WeakPolarHBondContact O-CG1 3.4Å; S686-I690 PolarHBondContact O-N 3.46Å
687	N	84.8	Confident	86.7	Confident	54 Å²	54	46.9 Å²	46.9	29%	0.289	23%	0.233	S	C	.	.	H	α-helix	trans	-69.9	-36.9	178.2	-68.3	-20.7	0	0	0	112.3	W683 N684 V685 I690 K691	W683-N687 VanDerWaalsContact O-CG 3.23Å; W683-N687 PolarHBondContact O-N 3.38Å; W683-N687 PolarHBondContact O-ND2 3.02Å; N684-N687 PolarHBondContact O-N 3.29Å; V685-N687 VanDerWaalsContact C-N 3.29Å; V685-N687 PolarHBondContact O-N 3.06Å; N687-I690 PolarHBondContact O-N 3.16Å; N687-K691 VanDerWaalsContact O-CB 3.23Å; N687-K691 WeakPolarHBondContact O-CB 3.43Å; N687-K691 PolarHBondContact O-N 3.48Å
688	E	87.1	Confident	86.6	Confident	81 Å²	81	46.9 Å²	46.9	38%	0.379	23%	0.233	S	C	.	.	H	α-helix	trans	-63.6	-46.1	173.2	-173	179.7	177.6	0	0	111.2	N684 V685 I690 K691 L692	N684-E688 PolarHBondContact O-N 3.22Å; V685-E688 PolarHBondContact O-N 3.5Å; E688-I690 PolarHBondContact O-N 3.25Å; E688-K691 PolarHBondContact O-N 2.93Å; E688-K691 VanDerWaalsContact O-N 3.14Å; E688-L692 HydrophobicContact CG-CD1 3.73Å; E688-L692 HydrophobicContact CG-CG 4.13Å; E688-L692 WeakPolarHBondContact O-CB 3.39Å; E688-L692 WeakPolarHBondContact O-CG 3.35Å; E688-L692 PolarHBondContact O-N 2.88Å
689	V	91	Very high	86.5	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-59.9	-43.3	176.1	168	0	0	0	0	111.6	L421 V647 I651 Y670 Y673 I674 L677 V685 S693	L421-V689 HydrophobicContact CD1-CG2 4.15Å; V647-V689 HydrophobicContact CG1-CG1 4.05Å; I651-V689 HydrophobicContact CD1-CG1 4.35Å; I651-V689 HydrophobicContact CD1-CG2 4.48Å; Y670-V689 HydrophobicContact CD1-CG1 4.13Å; Y673-V689 HydrophobicContact CD1-CG1 4.03Å; Y673-V689 HydrophobicContact CD1-CG2 4.2Å; Y673-V689 HydrophobicContact CE1-CG1 4.36Å; Y673-V689 HydrophobicContact CE1-CG2 3.69Å; I674-V689 HydrophobicContact CG1-CG1 4.13Å; L677-V689 HydrophobicContact CD1-CB 4.44Å; L677-V689 HydrophobicContact CD1-CG2 4Å; V685-V689 HydrophobicContact CG1-CG2 4.41Å; V685-V689 WeakPolarHBondContact O-CG2 3.38Å; V685-V689 PolarHBondContact O-N 3.16Å; V689-S693 WeakPolarHBondContact O-CB 3.41Å; V689-S693 PolarHBondContact O-N 3.19Å; V689-S693 VanDerWaalsContact O-N 3.08Å
690	I	89.6	Confident	86.4	Confident	7 Å²	7	41.6 Å²	41.6	4%	0.036	22%	0.223	C	C	.	.	H	α-helix	trans	-62.1	-44.2	174.6	-68.2	162.6	0	0	0	110.8	I674 S686 N687 E688 S693 I698 L701 N702	I674-I690 HydrophobicContact CD1-CD1 4.21Å; I674-I690 HydrophobicContact CD1-CG1 3.46Å; I674-I690 VanDerWaalsContact CD1-CG1 3.46Å; I674-I690 HydrophobicContact CG1-CG1 4.03Å; I674-I690 HydrophobicContact CG2-CD1 4.42Å; S686-I690 WeakPolarHBondContact O-CD1 3.39Å; S686-I690 VanDerWaalsContact O-CG1 3.23Å; S686-I690 WeakPolarHBondContact O-CG1 3.4Å; S686-I690 PolarHBondContact O-N 3.46Å; N687-I690 PolarHBondContact O-N 3.16Å; E688-I690 PolarHBondContact O-N 3.25Å; I690-S693 PolarHBondContact O-N 2.89Å; I690-S693 PolarHBondContact O-OG 3.26Å; I690-I698 HydrophobicContact CG1-CG2 4.3Å; I690-I698 HydrophobicContact CG2-CG2 4.44Å; I690-I698 WeakPolarHBondContact CG2-O 3.45Å; I690-L701 HydrophobicContact CD1-CD1 4.41Å; I690-L701 HydrophobicContact CG1-CD1 4.44Å; I690-L701 HydrophobicContact CG2-CB 4.35Å; I690-N702 HydrophobicContact CG2-CB 4.39Å; I690-N702 WeakPolarHBondContact CG2-ND2 3.38Å
691	K	86.9	Confident	86.1	Confident	98 Å²	98	42.5 Å²	42.5	43%	0.426	23%	0.229	S	C	.	.	H	α-helix	trans	-68.2	-36.2	-178.2	176.7	170.9	-179.9	164.1	0	113.8	N687 E688 T783	N687-K691 VanDerWaalsContact O-CB 3.23Å; N687-K691 WeakPolarHBondContact O-CB 3.43Å; N687-K691 PolarHBondContact O-N 3.48Å; E688-K691 PolarHBondContact O-N 2.93Å; E688-K691 VanDerWaalsContact O-N 3.14Å; K691-T783 PolarHBondContact NZ-O 3.09Å; K691-T783 PolarHBondContact NZ-OG1 3.3Å; K691-T783 PolarHBondContact NZ-OXT 3.08Å
692	L	89.6	Confident	85.4	Confident	48 Å²	48	39.9 Å²	39.9	25%	0.251	22%	0.219	S	C	.	.	H	α-helix	trans	-86.4	-7.4	178.1	-64.9	-179.8	0	0	0	113.2	L421 I651 E688	L421-L692 HydrophobicContact CB-CD1 3.61Å; L421-L692 HydrophobicContact CD1-CD1 4.47Å; I651-L692 HydrophobicContact CD1-CB 4.36Å; I651-L692 HydrophobicContact CG2-CB 3.7Å; I651-L692 HydrophobicContact CG2-CD1 4.04Å; I651-L692 HydrophobicContact CG2-CG 4.47Å; E688-L692 HydrophobicContact CG-CD1 3.73Å; E688-L692 HydrophobicContact CG-CG 4.13Å; E688-L692 WeakPolarHBondContact O-CB 3.39Å; E688-L692 WeakPolarHBondContact O-CG 3.35Å; E688-L692 PolarHBondContact O-N 2.88Å
693	S	89.3	Confident	84.6	Confident	8 Å²	8	46.7 Å²	46.7	6%	0.056	25%	0.251	C	S	.	.			trans	-64.9	137.2	-179.5	71.2	0	0	0	0	112.4	V689 I690 C695 I698 T699	V689-S693 WeakPolarHBondContact O-CB 3.41Å; V689-S693 PolarHBondContact O-N 3.19Å; V689-S693 VanDerWaalsContact O-N 3.08Å; I690-S693 PolarHBondContact O-N 2.89Å; I690-S693 PolarHBondContact O-OG 3.26Å; S693-C695 VanDerWaalsContact C-N 3.27Å; S693-C695 PolarHBondContact O-N 2.95Å; S693-I698 WeakPolarHBondContact OG-CB 3.24Å; S693-I698 VanDerWaalsContact OG-CG2 3.23Å; S693-I698 WeakPolarHBondContact OG-CG2 3.49Å; S693-T699 VanDerWaalsContact O-CG2 3.24Å; S693-T699 WeakPolarHBondContact O-CG2 3.33Å; S693-T699 WeakPolarHBondContact OG-CG2 3.32Å
694	T	82	Confident	83.8	Confident	31 Å²	31	48 Å²	48	19%	0.19	27%	0.265	C	S	.	.	S	Bend	trans	-80.2	-7.3	176.2	45.2	0	0	0	0	113.6	R658 Y670	R658-T694 PolarHBondContact NH1-O 3.46Å; R658-T694 PolarHBondContact NH2-O 2.84Å; Y670-T694 PolarHBondContact OH-N 2.84Å; Y670-T694 PolarHBondContact OH-OG1 3.42Å
695	C	85.3	Confident	82.8	Confident	3 Å²	3	50.3 Å²	50.3	2%	0.02	29%	0.285	C	S	.	.			trans	-94.3	133.3	-174.8	-176.8	0	0	0	0	111.7	Y670 S693 I698 T699	Y670-C695 HydrophobicContact CD2-CB 4.39Å; Y670-C695 HydrophobicContact CE2-CB 4.38Å; S693-C695 VanDerWaalsContact C-N 3.27Å; S693-C695 PolarHBondContact O-N 2.95Å; C695-I698 HydrophobicContact CB-CB 4.23Å; C695-I698 HydrophobicContact CB-CG1 3.84Å; C695-I698 PolarHBondContact O-N 3.49Å; C695-T699 PolarHBondContact O-N 2.99Å; C695-T699 PolarHBondContact O-OG1 3.33Å
696	S	85	Confident	81.7	Confident	87 Å²	87	53.6 Å²	53.6	61%	0.608	31%	0.306	S	S	*	.	H	α-helix	trans	-66.6	-36.1	177.9	48.2	0	0	0	0	113	I698 T699 C700	S696-I698 VanDerWaalsContact C-N 3.25Å; S696-I698 PolarHBondContact O-N 2.88Å; S696-T699 WeakPolarHBondContact CA-OG1 3.34Å; S696-T699 PolarHBondContact O-OG1 3.16Å; S696-C700 WeakPolarHBondContact O-CB 3.35Å; S696-C700 PolarHBondContact O-N 3.05Å; S696-C700 VanDerWaalsContact O-N 3.14Å; S696-C700 PolarHBondContact O-SG 3.19Å
697	A	86.3	Confident	80.4	Confident	27 Å²	27	59.5 Å²	59.5	22%	0.223	34%	0.342	C	S	.	.	H	α-helix	trans	-67.9	-24.4	177.5	0	0	0	0	0	113.2	E667 C700	E667-A697 HydrophobicContact CG-CB 4.02Å; E667-A697 WeakPolarHBondContact OE2-CB 3.37Å; A697-C700 PolarHBondContact O-SG 3.38Å
698	I	88.9	Confident	79.4	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-88.7	-51.7	177	-54.9	-61.9	0	0	0	110.4	E667 Y670 M671 I674 I690 S693 C695 S696 C700 L701	E667-I698 HydrophobicContact CB-CD1 4.47Å; E667-I698 HydrophobicContact CG-CD1 3.8Å; E667-I698 HydrophobicContact CG-CG1 4.47Å; Y670-I698 VanDerWaalsContact CB-CD1 3.47Å; Y670-I698 HydrophobicContact CD1-CG2 4.36Å; Y670-I698 HydrophobicContact CD2-CG1 4.02Å; Y670-I698 HydrophobicContact CG-CD1 4.39Å; Y670-I698 HydrophobicContact CG-CG1 3.88Å; Y670-I698 HydrophobicContact CG-CG2 4.31Å; M671-I698 HydrophobicContact CE-CD1 3.92Å; M671-I698 HydrophobicContact CG-CD1 3.76Å; M671-I698 HydrophobicContact SD-CD1 3.99Å; I674-I698 HydrophobicContact CD1-CG2 3.74Å; I690-I698 HydrophobicContact CG1-CG2 4.3Å; I690-I698 HydrophobicContact CG2-CG2 4.44Å; I690-I698 WeakPolarHBondContact CG2-O 3.45Å; S693-I698 WeakPolarHBondContact OG-CB 3.24Å; S693-I698 VanDerWaalsContact OG-CG2 3.23Å; S693-I698 WeakPolarHBondContact OG-CG2 3.49Å; C695-I698 HydrophobicContact CB-CB 4.23Å; C695-I698 HydrophobicContact CB-CG1 3.84Å; C695-I698 PolarHBondContact O-N 3.49Å; S696-I698 VanDerWaalsContact C-N 3.25Å; S696-I698 PolarHBondContact O-N 2.88Å; I698-C700 PolarHBondContact O-N 3.23Å; I698-C700 VanDerWaalsContact O-N 3.15Å; I698-L701 HydrophobicContact CG2-CD1 4.39Å; I698-L701 WeakPolarHBondContact O-CB 3.49Å; I698-L701 VanDerWaalsContact O-CG 3.29Å; I698-L701 WeakPolarHBondContact O-CG 3.43Å; I698-L701 PolarHBondContact O-N 3.3Å
699	T	84.4	Confident	78.4	Confident	49 Å²	49	66.5 Å²	66.5	30%	0.301	38%	0.375	S	S	.	.	H	α-helix	trans	-57.7	-30.2	179	47.3	0	0	0	0	113.3	S693 C695 S696 L701	S693-T699 VanDerWaalsContact O-CG2 3.24Å; S693-T699 WeakPolarHBondContact O-CG2 3.33Å; S693-T699 WeakPolarHBondContact OG-CG2 3.32Å; C695-T699 PolarHBondContact O-N 2.99Å; C695-T699 PolarHBondContact O-OG1 3.33Å; S696-T699 WeakPolarHBondContact CA-OG1 3.34Å; S696-T699 PolarHBondContact O-OG1 3.16Å; T699-L701 VanDerWaalsContact C-N 3.27Å; T699-L701 PolarHBondContact O-N 3.09Å
700	C	83.1	Confident	77.3	Confident	53 Å²	53	69.6 Å²	69.6	36%	0.358	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-71.2	-15	176.8	79.8	0	0	0	0	114.2	S696 A697 I698 N702 Q703 T704	S696-C700 WeakPolarHBondContact O-CB 3.35Å; S696-C700 PolarHBondContact O-N 3.05Å; S696-C700 VanDerWaalsContact O-N 3.14Å; S696-C700 PolarHBondContact O-SG 3.19Å; A697-C700 PolarHBondContact O-SG 3.38Å; I698-C700 PolarHBondContact O-N 3.23Å; I698-C700 VanDerWaalsContact O-N 3.15Å; C700-N702 VanDerWaalsContact C-N 3.25Å; C700-N702 PolarHBondContact O-N 3.4Å; C700-Q703 CarbonylContact O-C 3.33Å; C700-Q703 WeakPolarHBondContact O-CA 3.32Å; C700-Q703 WeakPolarHBondContact O-CB 3.39Å; C700-Q703 PolarHBondContact O-N 3.23Å; C700-T704 PolarHBondContact O-N 3.01Å
701	L	79.8	Confident	76.6	Confident	50 Å²	50	73.6 Å²	73.6	26%	0.262	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-56	-41.1	174.9	-69	172.8	0	0	0	111.8	M671 I674 I690 I698 T699 Q703 T704	M671-L701 HydrophobicContact CE-CD1 4.17Å; M671-L701 HydrophobicContact CE-CD2 4.19Å; M671-L701 HydrophobicContact SD-CD1 4Å; I674-L701 HydrophobicContact CD1-CD1 4.32Å; I690-L701 HydrophobicContact CD1-CD1 4.41Å; I690-L701 HydrophobicContact CG1-CD1 4.44Å; I690-L701 HydrophobicContact CG2-CB 4.35Å; I698-L701 HydrophobicContact CG2-CD1 4.39Å; I698-L701 WeakPolarHBondContact O-CB 3.49Å; I698-L701 VanDerWaalsContact O-CG 3.29Å; I698-L701 WeakPolarHBondContact O-CG 3.43Å; I698-L701 PolarHBondContact O-N 3.3Å; T699-L701 VanDerWaalsContact C-N 3.27Å; T699-L701 PolarHBondContact O-N 3.09Å; L701-Q703 PolarHBondContact O-N 3.32Å; L701-T704 PolarHBondContact O-N 3.01Å; L701-T704 VanDerWaalsContact O-N 3.07Å; L701-T704 PolarHBondContact O-OG1 3.48Å
702	N	71.6	Confident	75.9	Confident	92 Å²	92	69.3 Å²	69.3	49%	0.492	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-63.2	-10.4	174.9	-78.5	-13.5	0	0	0	113.8	I690 C700	I690-N702 HydrophobicContact CG2-CB 4.39Å; I690-N702 WeakPolarHBondContact CG2-ND2 3.38Å; C700-N702 VanDerWaalsContact C-N 3.25Å; C700-N702 PolarHBondContact O-N 3.4Å
703	Q	69.1	Low	74.8	Confident	162 Å²	162	71.9 Å²	71.9	76%	0.757	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-108.9	-5.8	179.1	-50.1	-178.6	12.4	0	0	112.5	C700 L701	C700-Q703 CarbonylContact O-C 3.33Å; C700-Q703 WeakPolarHBondContact O-CA 3.32Å; C700-Q703 WeakPolarHBondContact O-CB 3.39Å; C700-Q703 PolarHBondContact O-N 3.23Å; L701-Q703 PolarHBondContact O-N 3.32Å
704	T	66.2	Low	74	Confident	87 Å²	87	76.5 Å²	76.5	53%	0.534	44%	0.441	S	S	.	.			trans	-71	132.1	179.9	60.5	0	0	0	0	111.5	C700 L701	C700-T704 PolarHBondContact O-N 3.01Å; L701-T704 PolarHBondContact O-N 3.01Å; L701-T704 VanDerWaalsContact O-N 3.07Å; L701-T704 PolarHBondContact O-OG1 3.48Å
705	S	62.6	Low	74	Confident	98 Å²	98	76.6 Å²	76.6	69%	0.685	44%	0.442	S	S	*	.			trans	-100.9	101.8	-178.6	51.4	0	0	0	0	111.9	T707	S705-T707 PolarHBondContact O-N 3.47Å
706	T	64.3	Low	73.6	Confident	90 Å²	90	84.7 Å²	84.7	55%	0.552	48%	0.477	S	S	*	.			trans	-77.5	116.7	179.8	-46	0	0	0	0	111.9	L708	T706-L708 HydrophobicContact CG2-CD2 3.91Å; T706-L708 HydrophobicContact CG2-CG 4.35Å; T706-L708 PolarHBondContact O-N 2.91Å
707	T	62.4	Low	73.1	Confident	124 Å²	124	88.1 Å²	88.1	76%	0.761	48%	0.477	S	S	*	.			trans	-83.1	90.7	178.5	42.1	0	0	0	0	112.3	S705	S705-T707 PolarHBondContact O-N 3.47Å
708	L	62.3	Low	72.3	Confident	104 Å²	104	91.1 Å²	91.1	55%	0.545	49%	0.494	S	S	.	.			trans	-83	117.3	-179.9	-63.2	-178.5	0	0	0	113.3	T706 I710 W749	T706-L708 HydrophobicContact CG2-CD2 3.91Å; T706-L708 HydrophobicContact CG2-CG 4.35Å; T706-L708 PolarHBondContact O-N 2.91Å; L708-I710 HydrophobicContact CB-CG1 4.46Å; L708-I710 PolarHBondContact O-N 2.86Å; L708-I710 VanDerWaalsContact O-N 3.12Å; L708-W749 HydrophobicContact CD1-CH2 3.67Å; L708-W749 HydrophobicContact CD1-CZ2 3.55Å; L708-W749 HydrophobicContact CD1-CZ3 4.46Å; L708-W749 HydrophobicContact CG-CH2 4.12Å; L708-W749 HydrophobicContact CG-CZ2 4.3Å
709	H	66.5	Low	71.5	Confident	178 Å²	178	92.3 Å²	92.3	82%	0.824	50%	0.5	S	S	*	.			trans	-79.1	89.8	171.1	-71.8	-62.9	0	0	0	111.8
710	I	68.7	Low	70.5	Confident	65 Å²	65	94.8 Å²	94.8	33%	0.333	52%	0.52	S	S	.	.	P	Polyproline II helix	trans	-73	131.6	-176	-62.3	173.1	0	0	0	112	L708 M719	L708-I710 HydrophobicContact CB-CG1 4.46Å; L708-I710 PolarHBondContact O-N 2.86Å; L708-I710 VanDerWaalsContact O-N 3.12Å; I710-M719 HydrophobicContact CG2-SD 4.42Å; I710-M719 WeakPolarHBondContact O-CB 3.5Å; I710-M719 WeakPolarHBondContact O-CG 3.5Å; I710-M719 PolarHBondContact O-N 2.94Å
711	N	73.8	Confident	69.3	Low	92 Å²	92	98.5 Å²	98.5	49%	0.492	54%	0.536	S	S	.	.	B	Isolated β-bridge	trans	-84	136.6	164	-77.4	-39.5	0	0	0	110.2	S713 R717 P718	N711-S713 PolarHBondContact O-N 3.12Å; N711-R717 CarbonylContact C-O 3.5Å; N711-R717 WeakPolarHBondContact CA-O 3.45Å; N711-P718 WeakPolarHBondContact OD1-CA 3.33Å; N711-P718 WeakPolarHBondContact OD1-CD 3.42Å
712	C	72.4	Confident	68.3	Low	7 Å²	7	102 Å²	102	5%	0.047	55%	0.549	C	S	.	.	P	Polyproline II helix	trans	-61.6	120.2	173.6	173.8	0	0	0	0	110.2	N714 C715 K716 R717 M719 C726	C712-N714 PolarHBondContact O-N 2.85Å; C712-N714 VanDerWaalsContact O-N 3.11Å; C712-C715 PolarHBondContact O-N 2.73Å; C712-K716 VanDerWaalsContact O-CA 3.24Å; C712-K716 WeakPolarHBondContact O-CA 3.23Å; C712-K716 PolarHBondContact O-N 2.93Å; C712-R717 PolarHBondContact N-O 3.27Å; C712-M719 HydrophobicContact CB-CG 4.07Å; C712-M719 HydrophobicContact CB-SD 3.88Å; C712-C726 HydrophobicContact CB-CB 4.01Å; C712-C726 VanDerWaalsContact SG-SG 3.62Å
713	S	67.5	Low	67.8	Low	103 Å²	103	99.7 Å²	99.7	72%	0.72	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-35.3	-177.5	53.2	0	0	0	0	114	N711	N711-S713 PolarHBondContact O-N 3.12Å
714	N	72.6	Confident	67.8	Low	105 Å²	105	96.6 Å²	96.6	56%	0.561	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-55.8	-178.1	-167	-20.5	0	0	0	112.5	C712 Q731	C712-N714 PolarHBondContact O-N 2.85Å; C712-N714 VanDerWaalsContact O-N 3.11Å; N714-Q731 PolarHBondContact ND2-OE1 2.89Å; N714-Q731 VanDerWaalsContact ND2-OE1 3.13Å
715	C	80.9	Confident	68.2	Low	32 Å²	32	95.5 Å²	95.5	22%	0.216	52%	0.518	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	1.8	-176	70.6	0	0	0	0	116.1	C712 R717 C726	C712-C715 PolarHBondContact O-N 2.73Å; C715-R717 PolarHBondContact O-N 2.74Å; C715-R717 VanDerWaalsContact O-N 3.1Å; C715-C726 VanDerWaalsContact SG-SG 3.63Å
716	K	76.6	Confident	68.8	Low	173 Å²	173	91.2 Å²	91.2	75%	0.752	49%	0.488	S	S	*	.			trans	51.6	29.2	176.4	-55	-169.4	-180	-171.7	0	115.4	C712	C712-K716 VanDerWaalsContact O-CA 3.24Å; C712-K716 WeakPolarHBondContact O-CA 3.23Å; C712-K716 PolarHBondContact O-N 2.93Å
717	R	74.8	Confident	69.3	Low	160 Å²	160	91.4 Å²	91.4	60%	0.604	49%	0.485	S	S	*	.			trans	-107.4	149.1	175	-73.8	-172	175.3	-162.5	-2.6	111.7	N711 C712 C715	N711-R717 CarbonylContact C-O 3.5Å; N711-R717 WeakPolarHBondContact CA-O 3.45Å; C712-R717 PolarHBondContact N-O 3.27Å; C715-R717 PolarHBondContact O-N 2.74Å; C715-R717 VanDerWaalsContact O-N 3.1Å
718	P	69.8	Low	69.8	Low	90 Å²	90	94.4 Å²	94.4	58%	0.584	48%	0.483	S	S	*	.	B	Isolated β-bridge	trans	-64.4	141.3	175.7	25.9	-34.5	0	0	0	110.8	N711 S720	N711-P718 WeakPolarHBondContact OD1-CA 3.33Å; N711-P718 WeakPolarHBondContact OD1-CD 3.42Å; P718-S720 PolarHBondContact O-N 3.48Å
719	M	72.9	Confident	70.5	Confident	25 Å²	25	91.6 Å²	91.6	12%	0.123	47%	0.472	C	S	.	.			trans	-92.6	92.6	-177	-66.8	-179.3	49.4	0	0	110.3	I710 C712 G723 I725 C726 A733	I710-M719 HydrophobicContact CG2-SD 4.42Å; I710-M719 WeakPolarHBondContact O-CB 3.5Å; I710-M719 WeakPolarHBondContact O-CG 3.5Å; I710-M719 PolarHBondContact O-N 2.94Å; C712-M719 HydrophobicContact CB-CG 4.07Å; C712-M719 HydrophobicContact CB-SD 3.88Å; M719-G723 VanDerWaalsContact CE-O 3.25Å; M719-G723 WeakPolarHBondContact CE-O 3.48Å; M719-I725 WeakPolarHBondContact CE-O 3.42Å; M719-C726 HydrophobicContact CE-CB 4.38Å; M719-C726 HydrophobicContact SD-CB 4.43Å; M719-A733 HydrophobicContact CE-CB 3.8Å; M719-A733 HydrophobicContact SD-CB 4.04Å
720	S	62.2	Low	70.8	Confident	101 Å²	101	93.2 Å²	93.2	71%	0.706	47%	0.47	S	S	*	.			trans	-87.3	-9.1	-158.8	59.5	0	0	0	0	117.1	P718	P718-S720 PolarHBondContact O-N 3.48Å
721	N	58.2	Low	70.9	Confident	130 Å²	130	94.6 Å²	94.6	70%	0.695	48%	0.475	S	S	*	.	S	Bend	trans	-131.4	-26.3	-165.7	-117.6	-4.2	0	0	0	116.2
722	K	59.6	Low	70.6	Confident	125 Å²	125	93.3 Å²	93.3	54%	0.543	47%	0.473	S	S	.	.			trans	-138.2	-7.2	-175	-67.1	-172.9	-179.9	178.9	0	115.4	W724	K722-W724 VanDerWaalsContact O-CG 3.3Å; K722-W724 PolarHBondContact O-N 3.49Å
723	G	60.8	Low	70.4	Confident	42 Å²	42	93.7 Å²	93.7	43%	0.433	48%	0.477	S	S	.	.	S	Bend	trans	66.8	-38.4	-180	0	0	0	0	0	116.4	M719	M719-G723 VanDerWaalsContact CE-O 3.25Å; M719-G723 WeakPolarHBondContact CE-O 3.48Å
724	W	69.8	Low	70.4	Confident	97 Å²	97	91 Å²	91	37%	0.367	46%	0.458	S	S	.	.	S	Bend	trans	-109.6	-10.3	-167.1	56.2	59.1	0	0	0	115.6	K722 C732 A733 V742 K744	K722-W724 VanDerWaalsContact O-CG 3.3Å; K722-W724 PolarHBondContact O-N 3.49Å; W724-C732 CarbonylContact O-C 3.38Å; W724-C732 WeakPolarHBondContact O-CA 3.3Å; W724-C732 WeakPolarHBondContact O-CB 3.33Å; W724-A733 PolarHBondContact O-N 3.46Å; W724-V742 HydrophobicContact CB-CG1 3.58Å; W724-V742 HydrophobicContact CG-CG1 4.11Å; W724-K744 HydrophobicContact CD2-CG 4.36Å; W724-K744 HydrophobicContact CE3-CB 4.45Å; W724-K744 HydrophobicContact CE3-CG 4.21Å; W724-K744 HydrophobicContact CZ3-CB 4.3Å; W724-K744 HydrophobicContact CZ3-CG 4.34Å
725	I	74.5	Confident	70.9	Confident	65 Å²	65	88.5 Å²	88.5	33%	0.333	45%	0.451	S	S	.	.	B	Isolated β-bridge	trans	-136.9	133.7	173.3	-78.4	169	0	0	0	109	M719 C732	M719-I725 WeakPolarHBondContact CE-O 3.42Å; I725-C732 HydrophobicContact CG1-CB 4.45Å
726	C	74.4	Confident	71.2	Confident	8 Å²	8	87 Å²	87	5%	0.054	44%	0.441	C	S	.	.			trans	-76.6	120.9	174.6	177.3	0	0	0	0	111	C712 C715 M719 R728 C729 R730 Q731	C712-C726 HydrophobicContact CB-CB 4.01Å; C712-C726 VanDerWaalsContact SG-SG 3.62Å; C715-C726 VanDerWaalsContact SG-SG 3.63Å; M719-C726 HydrophobicContact CE-CB 4.38Å; M719-C726 HydrophobicContact SD-CB 4.43Å; C726-R728 PolarHBondContact O-N 3.47Å; C726-C729 HydrophobicContact CB-CB 4.13Å; C726-C729 PolarHBondContact O-N 2.98Å; C726-C729 PolarHBondContact SG-N 3.07Å; C726-C729 VanDerWaalsContact SG-N 3.44Å; C726-R730 VanDerWaalsContact O-CA 3.24Å; C726-R730 WeakPolarHBondContact O-CA 3.05Å; C726-R730 PolarHBondContact O-N 3.3Å; C726-Q731 PolarHBondContact N-O 3.42Å
727	D	74	Confident	71.7	Confident	93 Å²	93	79.3 Å²	79.3	50%	0.497	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-26	-178.7	-62.2	-63.6	0	0	0	114.1
728	R	73.3	Confident	72.3	Confident	188 Å²	188	74.3 Å²	74.3	71%	0.709	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-45.3	179.3	-165.7	-179.7	-171.5	-156.6	1.3	113.8	C726	C726-R728 PolarHBondContact O-N 3.47Å
729	C	76.5	Confident	73.2	Confident	45 Å²	45	71.7 Å²	71.7	30%	0.304	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-14.1	-175.4	-66.2	0	0	0	0	113.3	C726 Q731	C726-C729 HydrophobicContact CB-CB 4.13Å; C726-C729 PolarHBondContact O-N 2.98Å; C726-C729 PolarHBondContact SG-N 3.07Å; C726-C729 VanDerWaalsContact SG-N 3.44Å; C729-Q731 HydrophobicContact CB-CB 4.25Å; C729-Q731 PolarHBondContact O-N 3.05Å
730	R	74.6	Confident	73.9	Confident	211 Å²	211	77.5 Å²	77.5	80%	0.796	41%	0.407	S	S	*	.			trans	55.4	-5.2	-169.8	-62.4	-174.3	176.8	-173.2	-0.8	116.2	C726	C726-R730 VanDerWaalsContact O-CA 3.24Å; C726-R730 WeakPolarHBondContact O-CA 3.05Å; C726-R730 PolarHBondContact O-N 3.3Å
731	Q	70.3	Confident	74.9	Confident	95 Å²	95	79.1 Å²	79.1	44%	0.444	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-64.4	138.8	172.6	-166.7	168.3	8.6	0	0	110.7	N714 C726 C729	N714-Q731 PolarHBondContact ND2-OE1 2.89Å; N714-Q731 VanDerWaalsContact ND2-OE1 3.13Å; C726-Q731 PolarHBondContact N-O 3.42Å; C729-Q731 HydrophobicContact CB-CB 4.25Å; C729-Q731 PolarHBondContact O-N 3.05Å
732	C	67.9	Low	76	Confident	64 Å²	64	74.9 Å²	74.9	43%	0.432	38%	0.382	S	S	.	.	B	Isolated β-bridge	trans	-77.6	150.3	-179.8	-51.1	0	0	0	0	111.6	W724 I725 V742	W724-C732 CarbonylContact O-C 3.38Å; W724-C732 WeakPolarHBondContact O-CA 3.3Å; W724-C732 WeakPolarHBondContact O-CB 3.33Å; I725-C732 HydrophobicContact CG1-CB 4.45Å; C732-V742 HydrophobicContact CB-CG2 3.63Å; C732-V742 WeakPolarHBondContact SG-CG2 3.38Å
733	A	66.5	Low	76.9	Confident	16 Å²	16	69.4 Å²	69.4	13%	0.132	36%	0.359	C	S	.	.	S	Bend	trans	-97.3	155.1	164.2	0	0	0	0	0	110	M719 W724 A735	M719-A733 HydrophobicContact CE-CB 3.8Å; M719-A733 HydrophobicContact SD-CB 4.04Å; W724-A733 PolarHBondContact O-N 3.46Å; A733-A735 PolarHBondContact O-N 3.19Å
734	S	69.4	Low	77.5	Confident	46 Å²	46	74.6 Å²	74.6	32%	0.322	37%	0.37	S	S	.	.			trans	42.4	66.6	168	-55.2	0	0	0	0	115.4
735	A	82.3	Confident	77.7	Confident	52 Å²	52	73.1 Å²	73.1	43%	0.43	38%	0.384	S	S	.	.	B	Isolated β-bridge	trans	-69.3	145.7	166.9	0	0	0	0	0	110.7	A733 A737	A733-A735 PolarHBondContact O-N 3.19Å; A735-A737 PolarHBondContact O-N 3.25Å
736	C	86.9	Confident	77.7	Confident	0 Å²	0	75.3 Å²	75.3	0%	0	40%	0.396	C	S	.	.			trans	-68.4	127.5	174.8	170.4	0	0	0	0	110.8	V738 C739 H740 H741 V743 H758	C736-V738 PolarHBondContact O-N 3.42Å; C736-V738 VanDerWaalsContact O-N 3.17Å; C736-C739 VanDerWaalsContact SG-SG 3.63Å; C736-H740 WeakPolarHBondContact O-CA 3.25Å; C736-H740 PolarHBondContact O-N 3.05Å; C736-H741 PolarHBondContact N-O 3.49Å; C736-V743 HydrophobicContact CB-CG2 3.76Å; C736-H758 WeakPolarHBondContact CB-ND1 3.4Å
737	A	87.5	Confident	78	Confident	13 Å²	13	77.1 Å²	77.1	11%	0.107	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-30.2	-178.4	0	0	0	0	0	114.2	A735 H740 G756 P773 A774	A735-A737 PolarHBondContact O-N 3.25Å; A737-H740 PolarHBondContact O-CE1 2.85Å; A737-H740 PolarHBondContact O-ND1 2.97Å; A737-G756 PolarHBondContact N-O 3.48Å; A737-P773 HydrophobicContact CB-CB 4.19Å; A737-P773 HydrophobicContact CB-CG 3.92Å; A737-A774 HydrophobicContact CB-CB 4.11Å
738	V	87.4	Confident	78.3	Confident	54 Å²	54	74.3 Å²	74.3	33%	0.327	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-47.2	-176.8	179.5	0	0	0	0	113.1	C736 H761 I762 W765 P773	C736-V738 PolarHBondContact O-N 3.42Å; C736-V738 VanDerWaalsContact O-N 3.17Å; V738-H761 HydrophobicContact CB-CB 4.02Å; V738-H761 HydrophobicContact CG1-CB 4.26Å; V738-H761 HydrophobicContact CG2-CB 4.24Å; V738-I762 HydrophobicContact CG2-CD1 4.29Å; V738-W765 HydrophobicContact CG2-CB 4.14Å; V738-W765 HydrophobicContact CG2-CG 4.43Å; V738-P773 HydrophobicContact CG2-CB 3.54Å; V738-P773 HydrophobicContact CG2-CG 3.88Å
739	C	89.1	Confident	78.7	Confident	35 Å²	35	69.5 Å²	69.5	24%	0.236	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-3.3	-174.3	69.9	0	0	0	0	114.3	C736 H741 H761	C736-C739 VanDerWaalsContact SG-SG 3.63Å; C739-H741 PolarHBondContact O-N 2.77Å; C739-H741 PolarHBondContact O-ND1 3.44Å; C739-H761 PolarHBondContact SG-CE1 3Å; C739-H761 PolarHBondContact SG-ND1 2.98Å
740	H	86.5	Confident	78.9	Confident	147 Å²	147	68.8 Å²	68.8	68%	0.681	37%	0.366	S	S	*	.			trans	55.8	5.1	-176.4	-48.7	-44.5	0	0	0	116.1	C736 A737	C736-H740 WeakPolarHBondContact O-CA 3.25Å; C736-H740 PolarHBondContact O-N 3.05Å; A737-H740 PolarHBondContact O-CE1 2.85Å; A737-H740 PolarHBondContact O-ND1 2.97Å
741	H	83.7	Confident	79	Confident	136 Å²	136	63.9 Å²	63.9	63%	0.63	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-82.7	153	174.2	-73.3	65.8	0	0	0	111.4	C736 C739	C736-H741 PolarHBondContact N-O 3.49Å; C739-H741 PolarHBondContact O-N 2.77Å; C739-H741 PolarHBondContact O-ND1 3.44Å
742	V	80.8	Confident	79.3	Confident	40 Å²	40	60.9 Å²	60.9	24%	0.242	35%	0.347	C	S	.	.	B	Isolated β-bridge	trans	-65.6	127.6	177.5	-174.3	0	0	0	0	110.4	W724 C732	W724-V742 HydrophobicContact CB-CG1 3.58Å; W724-V742 HydrophobicContact CG-CG1 4.11Å; C732-V742 HydrophobicContact CB-CG2 3.63Å; C732-V742 WeakPolarHBondContact SG-CG2 3.38Å
743	V	78.6	Confident	80.1	Confident	10 Å²	10	58.7 Å²	58.7	6%	0.061	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-77.5	132	178.2	-176.9	0	0	0	0	110.8	C736 F747	C736-V743 HydrophobicContact CB-CG2 3.76Å; V743-F747 HydrophobicContact CB-CD2 3.96Å; V743-F747 HydrophobicContact CG1-CB 4.15Å; V743-F747 HydrophobicContact CG1-CD2 4.23Å; V743-F747 HydrophobicContact CG2-CD2 3.76Å; V743-F747 HydrophobicContact CG2-CE2 4.27Å
744	K	74.6	Confident	80.7	Confident	152 Å²	152	62.2 Å²	62.2	66%	0.661	36%	0.356	S	S	*	.			trans	-121.6	115.2	174	-62.7	177.1	-173.9	171	0	108.4	W724	W724-K744 HydrophobicContact CD2-CG 4.36Å; W724-K744 HydrophobicContact CE3-CB 4.45Å; W724-K744 HydrophobicContact CE3-CG 4.21Å; W724-K744 HydrophobicContact CZ3-CB 4.3Å; W724-K744 HydrophobicContact CZ3-CG 4.34Å
745	G	72.7	Confident	81.5	Confident	65 Å²	65	63.7 Å²	63.7	67%	0.67	36%	0.358	S	S	*	.	S	Bend	trans	101.9	-145.8	-170.2	0	0	0	0	0	111.3	F747	G745-F747 PolarHBondContact O-N 3.03Å
746	L	74.6	Confident	81.7	Confident	111 Å²	111	61.5 Å²	61.5	58%	0.581	34%	0.34	S	S	*	.			trans	-63.7	116.8	-175.1	-170.8	70.2	0	0	0	111.8	V748 L759	L746-V748 HydrophobicContact CD2-CG2 4.03Å; L746-V748 HydrophobicContact CG-CG2 4.04Å; L746-L759 HydrophobicContact CD2-CD2 4.34Å
747	F	80.4	Confident	81.8	Confident	47 Å²	47	61.5 Å²	61.5	21%	0.206	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	120.1	170.2	-179.7	-103.4	0	0	0	108.7	V743 G745 W749	V743-F747 HydrophobicContact CB-CD2 3.96Å; V743-F747 HydrophobicContact CG1-CB 4.15Å; V743-F747 HydrophobicContact CG1-CD2 4.23Å; V743-F747 HydrophobicContact CG2-CD2 3.76Å; V743-F747 HydrophobicContact CG2-CE2 4.27Å; G745-F747 PolarHBondContact O-N 3.03Å; F747-W749 HydrophobicContact CD1-CB 4.49Å; F747-W749 HydrophobicContact CD1-CD2 4.42Å; F747-W749 AromaticContact CD1-CE3 3.59Å; F747-W749 HydrophobicContact CD1-CE3 3.59Å; F747-W749 HydrophobicContact CD1-CZ3 4.24Å; F747-W749 HydrophobicContact CE1-CB 3.88Å; F747-W749 HydrophobicContact CE1-CD2 4.43Å; F747-W749 HydrophobicContact CE1-CE3 4.03Å; F747-W749 HydrophobicContact CE1-CG 4.43Å; F747-W749 WeakPolarHBondContact O-CZ3 3.32Å
748	V	81.3	Confident	81.8	Confident	33 Å²	33	63.3 Å²	63.3	20%	0.2	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	128.5	-179.5	-176.1	0	0	0	0	108.6	L746 G756 G757 L759	L746-V748 HydrophobicContact CD2-CG2 4.03Å; L746-V748 HydrophobicContact CG-CG2 4.04Å; V748-G756 CarbonylContact O-C 3.59Å; V748-G756 WeakPolarHBondContact O-CA 3.37Å; V748-G757 PolarHBondContact N-O 2.98Å; V748-G757 PolarHBondContact O-N 3.02Å; V748-L759 HydrophobicContact CG2-CB 3.95Å; V748-L759 HydrophobicContact CG2-CD1 3.97Å
749	W	81.5	Confident	81.7	Confident	88 Å²	88	63.7 Å²	63.7	33%	0.333	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	152.9	-179.5	68.9	93.6	0	0	0	112.4	L708 F747 H755	L708-W749 HydrophobicContact CD1-CH2 3.67Å; L708-W749 HydrophobicContact CD1-CZ2 3.55Å; L708-W749 HydrophobicContact CD1-CZ3 4.46Å; L708-W749 HydrophobicContact CG-CH2 4.12Å; L708-W749 HydrophobicContact CG-CZ2 4.3Å; F747-W749 HydrophobicContact CD1-CB 4.49Å; F747-W749 HydrophobicContact CD1-CD2 4.42Å; F747-W749 AromaticContact CD1-CE3 3.59Å; F747-W749 HydrophobicContact CD1-CE3 3.59Å; F747-W749 HydrophobicContact CD1-CZ3 4.24Å; F747-W749 HydrophobicContact CE1-CB 3.88Å; F747-W749 HydrophobicContact CE1-CD2 4.43Å; F747-W749 HydrophobicContact CE1-CE3 4.03Å; F747-W749 HydrophobicContact CE1-CG 4.43Å; F747-W749 WeakPolarHBondContact O-CZ3 3.32Å; W749-H755 WeakPolarHBondContact CA-O 3.22Å; W749-H755 WeakPolarHBondContact CB-O 3.16Å
750	C	80.3	Confident	81.6	Confident	29 Å²	29	68.7 Å²	68.7	20%	0.196	37%	0.365	C	S	.	.			trans	-79.2	127	169.2	175	0	0	0	0	109.2	G752 S754 H755 H778 C780	C750-G752 PolarHBondContact O-N 2.89Å; C750-S754 VanDerWaalsContact O-CA 3.29Å; C750-S754 WeakPolarHBondContact O-CA 3.48Å; C750-S754 PolarHBondContact O-N 3.15Å; C750-H755 PolarHBondContact N-O 3.13Å; C750-H778 VanDerWaalsContact SG-CE1 3.56Å; C750-C780 HydrophobicContact CB-CB 4.17Å
751	Q	76.7	Confident	81.7	Confident	108 Å²	108	64.8 Å²	64.8	51%	0.505	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-46.2	-179.3	-66.5	-177.5	-0.2	0	0	112.1	W683 C753	W683-Q751 HydrophobicContact CD2-CB 4.43Å; W683-Q751 HydrophobicContact CE3-CB 4.16Å; Q751-C753 PolarHBondContact O-N 3.37Å
752	G	77.4	Confident	81.8	Confident	32 Å²	32	59 Å²	59	33%	0.33	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-31.8	-176.6	0	0	0	0	0	115.9	C750	C750-G752 PolarHBondContact O-N 2.89Å
753	C	84.4	Confident	82	Confident	19 Å²	19	60.1 Å²	60.1	13%	0.128	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.9	-1.3	180	78.3	0	0	0	0	115.5	Q751 H755 H778 C780	Q751-C753 PolarHBondContact O-N 3.37Å; C753-H755 PolarHBondContact O-N 3.49Å; C753-H755 PolarHBondContact O-ND1 3.38Å; C753-H778 HydrophobicContact CB-CB 3.79Å; C753-C780 PolarHBondContact SG-SG 2.98Å
754	S	79.1	Confident	82.4	Confident	89 Å²	89	63.8 Å²	63.8	62%	0.622	34%	0.343	S	S	*	.			trans	58.4	-8.1	-175.6	74.4	0	0	0	0	117.9	C750	C750-S754 VanDerWaalsContact O-CA 3.29Å; C750-S754 WeakPolarHBondContact O-CA 3.48Å; C750-S754 PolarHBondContact O-N 3.15Å
755	H	85.8	Confident	83.1	Confident	78 Å²	78	61 Å²	61	36%	0.361	33%	0.329	S	S	.	.			trans	-71.9	147.3	175.4	-59.9	119.8	0	0	0	112.1	W749 C750 C753 A774 C776	W749-H755 WeakPolarHBondContact CA-O 3.22Å; W749-H755 WeakPolarHBondContact CB-O 3.16Å; C750-H755 PolarHBondContact N-O 3.13Å; C753-H755 PolarHBondContact O-N 3.49Å; C753-H755 PolarHBondContact O-ND1 3.38Å; H755-A774 HydrophobicContact CB-CB 3.92Å; H755-C776 PolarHBondContact ND1-SG 2.77Å
756	G	86.6	Confident	83.6	Confident	5 Å²	5	58.8 Å²	58.8	5%	0.052	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.9	-168.2	-173.1	0	0	0	0	0	114.7	A737 V748	A737-G756 PolarHBondContact N-O 3.48Å; V748-G756 CarbonylContact O-C 3.59Å; V748-G756 WeakPolarHBondContact O-CA 3.37Å
757	G	88.4	Confident	84.1	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.4	-157.3	179	0	0	0	0	0	115.1	V748	V748-G757 PolarHBondContact N-O 2.98Å; V748-G757 PolarHBondContact O-N 3.02Å
758	H	87.8	Confident	84.2	Confident	52 Å²	52	64.7 Å²	64.7	24%	0.241	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	131.5	170.2	-58.9	100.6	0	0	0	109.6	C736 E760 H761 I762	C736-H758 WeakPolarHBondContact CB-ND1 3.4Å; H758-E760 PolarHBondContact O-N 3.47Å; H758-H761 HydrophobicContact CB-CB 4.34Å; H758-H761 AromaticContact ND1-ND1 3.69Å; H758-H761 PolarHBondContact O-N 3.35Å; H758-I762 PolarHBondContact O-N 3.36Å; H758-I762 VanDerWaalsContact O-N 3.09Å
759	L	85.4	Confident	84.3	Confident	61 Å²	61	66.5 Å²	66.5	32%	0.319	34%	0.338	S	S	.	.	H	α-helix	trans	-43.4	-57.1	179	173.7	63.7	0	0	0	112.2	L746 V748 H761 I762 M763 Y782	L746-L759 HydrophobicContact CD2-CD2 4.34Å; V748-L759 HydrophobicContact CG2-CB 3.95Å; V748-L759 HydrophobicContact CG2-CD1 3.97Å; L759-H761 VanDerWaalsContact C-N 3.32Å; L759-H761 PolarHBondContact O-N 3.1Å; L759-I762 PolarHBondContact O-N 2.79Å; L759-M763 HydrophobicContact CD1-CG 3.93Å; L759-M763 HydrophobicContact CD1-SD 3.72Å; L759-M763 HydrophobicContact CD2-SD 4.48Å; L759-M763 HydrophobicContact CG-CG 4.37Å; L759-M763 HydrophobicContact CG-SD 3.81Å; L759-M763 WeakPolarHBondContact O-CB 3.04Å; L759-M763 VanDerWaalsContact O-CG 3.32Å; L759-M763 WeakPolarHBondContact O-CG 3.27Å; L759-M763 PolarHBondContact O-N 3.47Å; L759-Y782 HydrophobicContact CD1-CE2 4.33Å; L759-Y782 WeakPolarHBondContact CD1-OH 3.47Å
760	E	87.3	Confident	84.2	Confident	140 Å²	140	64.5 Å²	64.5	65%	0.654	34%	0.337	S	S	*	.	H	α-helix	trans	-58.7	-37.5	-177.5	-62.9	178.7	-178.7	0	0	113.8	H758 N764	H758-E760 PolarHBondContact O-N 3.47Å; E760-N764 VanDerWaalsContact O-CB 3.25Å; E760-N764 WeakPolarHBondContact O-CB 3.35Å; E760-N764 VanDerWaalsContact O-CG 3.25Å; E760-N764 PolarHBondContact O-N 3.4Å; E760-N764 PolarHBondContact O-ND2 3.38Å; E760-N764 VanDerWaalsContact O-ND2 3.12Å
761	H	88.2	Confident	84.4	Confident	65 Å²	65	67.9 Å²	67.9	30%	0.301	35%	0.35	S	S	.	.	H	α-helix	trans	-72.2	-39.7	179	-68.6	172.7	0	0	0	111.9	V738 C739 H758 L759 W765	V738-H761 HydrophobicContact CB-CB 4.02Å; V738-H761 HydrophobicContact CG1-CB 4.26Å; V738-H761 HydrophobicContact CG2-CB 4.24Å; C739-H761 PolarHBondContact SG-CE1 3Å; C739-H761 PolarHBondContact SG-ND1 2.98Å; H758-H761 HydrophobicContact CB-CB 4.34Å; H758-H761 AromaticContact ND1-ND1 3.69Å; H758-H761 PolarHBondContact O-N 3.35Å; L759-H761 VanDerWaalsContact C-N 3.32Å; L759-H761 PolarHBondContact O-N 3.1Å; H761-W765 VanDerWaalsContact O-CB 3.3Å; H761-W765 WeakPolarHBondContact O-CB 3.37Å; H761-W765 PolarHBondContact O-N 2.66Å
762	I	87	Confident	84.9	Confident	14 Å²	14	63 Å²	63	7%	0.072	33%	0.328	C	S	.	.	H	α-helix	trans	-67.1	-46.4	176.1	-61.2	-58.8	0	0	0	109.7	V738 H758 L759 N764 W765 L766 P773	V738-I762 HydrophobicContact CG2-CD1 4.29Å; H758-I762 PolarHBondContact O-N 3.36Å; H758-I762 VanDerWaalsContact O-N 3.09Å; L759-I762 PolarHBondContact O-N 2.79Å; I762-N764 PolarHBondContact O-N 3.34Å; I762-W765 PolarHBondContact O-N 2.95Å; I762-L766 HydrophobicContact CG2-CD1 3.59Å; I762-L766 HydrophobicContact CG2-CG 4.47Å; I762-L766 WeakPolarHBondContact O-CB 3.46Å; I762-L766 VanDerWaalsContact O-CG 3.28Å; I762-L766 WeakPolarHBondContact O-CG 3.11Å; I762-L766 PolarHBondContact O-N 3.26Å; I762-P773 HydrophobicContact CD1-CG 3.88Å
763	M	83.6	Confident	85.3	Confident	64 Å²	64	62.7 Å²	62.7	32%	0.315	32%	0.32	S	S	.	.	H	α-helix	trans	-56.2	-50.1	173.4	-71.4	-178.5	78.8	0	0	112.6	L759 W765 L766 K767 Y782	L759-M763 HydrophobicContact CD1-CG 3.93Å; L759-M763 HydrophobicContact CD1-SD 3.72Å; L759-M763 HydrophobicContact CD2-SD 4.48Å; L759-M763 HydrophobicContact CG-CG 4.37Å; L759-M763 HydrophobicContact CG-SD 3.81Å; L759-M763 WeakPolarHBondContact O-CB 3.04Å; L759-M763 VanDerWaalsContact O-CG 3.32Å; L759-M763 WeakPolarHBondContact O-CG 3.27Å; L759-M763 PolarHBondContact O-N 3.47Å; M763-W765 PolarHBondContact O-N 3.39Å; M763-L766 PolarHBondContact O-N 2.66Å; M763-K767 WeakPolarHBondContact O-CG 3.48Å; M763-K767 PolarHBondContact O-N 3.07Å; M763-K767 VanDerWaalsContact O-N 3.09Å; M763-Y782 HydrophobicContact CE-CE1 4.15Å; M763-Y782 HydrophobicContact CG-CD1 4.29Å; M763-Y782 HydrophobicContact CG-CE1 3.61Å; M763-Y782 HydrophobicContact CG-CE2 4.27Å; M763-Y782 HydrophobicContact SD-CE1 4.41Å
764	N	87.6	Confident	85.3	Confident	87 Å²	87	64 Å²	64	47%	0.465	33%	0.332	S	S	.	.	H	α-helix	trans	-71.4	-28.8	-176.2	-73.7	-31.8	0	0	0	113.3	E760 I762 K767	E760-N764 VanDerWaalsContact O-CB 3.25Å; E760-N764 WeakPolarHBondContact O-CB 3.35Å; E760-N764 VanDerWaalsContact O-CG 3.25Å; E760-N764 PolarHBondContact O-N 3.4Å; E760-N764 PolarHBondContact O-ND2 3.38Å; E760-N764 VanDerWaalsContact O-ND2 3.12Å; I762-N764 PolarHBondContact O-N 3.34Å; N764-K767 PolarHBondContact OD1-NZ 2.57Å
765	W	88.5	Confident	85.5	Confident	94 Å²	94	62.9 Å²	62.9	36%	0.356	34%	0.335	S	S	.	.	H	α-helix	trans	-68	-45.2	170.6	178	-93.1	0	0	0	111.6	V738 H761 I762 M763 N768 N769 H771 P773	V738-W765 HydrophobicContact CG2-CB 4.14Å; V738-W765 HydrophobicContact CG2-CG 4.43Å; H761-W765 VanDerWaalsContact O-CB 3.3Å; H761-W765 WeakPolarHBondContact O-CB 3.37Å; H761-W765 PolarHBondContact O-N 2.66Å; I762-W765 PolarHBondContact O-N 2.95Å; M763-W765 PolarHBondContact O-N 3.39Å; W765-N768 PolarHBondContact O-N 3.04Å; W765-N769 PolarHBondContact O-N 2.97Å; W765-N769 PolarHBondContact O-ND2 3.46Å; W765-H771 PolarHBondContact NE1-O 3.11Å; W765-P773 HydrophobicContact CD2-CB 3.86Å; W765-P773 HydrophobicContact CG-CB 3.91Å; W765-P773 HydrophobicContact CG-CG 4.31Å; W765-P773 HydrophobicContact CZ2-CB 4.35Å
766	L	84.4	Confident	85.3	Confident	19 Å²	19	62.1 Å²	62.1	10%	0.099	34%	0.338	C	S	.	.	H	α-helix	trans	-79.9	-17.7	-171	-65.2	173.2	0	0	0	114.5	I762 M763 N768 N769 C780 Y782	I762-L766 HydrophobicContact CG2-CD1 3.59Å; I762-L766 HydrophobicContact CG2-CG 4.47Å; I762-L766 WeakPolarHBondContact O-CB 3.46Å; I762-L766 VanDerWaalsContact O-CG 3.28Å; I762-L766 WeakPolarHBondContact O-CG 3.11Å; I762-L766 PolarHBondContact O-N 3.26Å; M763-L766 PolarHBondContact O-N 2.66Å; L766-N768 PolarHBondContact O-N 3.41Å; L766-N769 WeakPolarHBondContact CA-O 3.31Å; L766-N769 WeakPolarHBondContact CD2-O 3.49Å; L766-C780 VanDerWaalsContact CD1-O 3.28Å; L766-C780 WeakPolarHBondContact CD1-O 3.35Å; L766-C780 HydrophobicContact CD2-CB 4.47Å; L766-C780 WeakPolarHBondContact CD2-O 3.5Å; L766-Y782 HydrophobicContact CD1-CG 4.27Å
767	K	84.3	Confident	85	Confident	144 Å²	144	64.5 Å²	64.5	63%	0.626	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-30.9	164.7	-77.4	170.6	-171.3	170	0	113.7	M763 N764	M763-K767 WeakPolarHBondContact O-CG 3.48Å; M763-K767 PolarHBondContact O-N 3.07Å; M763-K767 VanDerWaalsContact O-N 3.09Å; N764-K767 PolarHBondContact OD1-NZ 2.57Å
768	N	83.6	Confident	84.6	Confident	138 Å²	138	66.9 Å²	66.9	74%	0.738	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.3	-10.7	-172.1	-65.3	-13.4	0	0	0	113.7	W765 L766	W765-N768 PolarHBondContact O-N 3.04Å; L766-N768 PolarHBondContact O-N 3.41Å
769	N	82.4	Confident	84.1	Confident	70 Å²	70	68.3 Å²	68.3	37%	0.374	38%	0.382	S	S	.	.			trans	-144.8	130.1	-175	-53.9	-90.4	0	0	0	110.1	W765 L766 H771	W765-N769 PolarHBondContact O-N 2.97Å; W765-N769 PolarHBondContact O-ND2 3.46Å; L766-N769 WeakPolarHBondContact CA-O 3.31Å; L766-N769 WeakPolarHBondContact CD2-O 3.49Å; N769-H771 PolarHBondContact O-N 3.42Å
770	S	80.4	Confident	83.6	Confident	47 Å²	47	65.7 Å²	65.7	33%	0.329	37%	0.368	S	S	.	.	S	Bend	trans	-77.6	-7.9	171.1	53	0	0	0	0	114.1	L779 C780	S770-L779 CarbonylContact O-C 3.53Å; S770-L779 VanDerWaalsContact O-CA 3.28Å; S770-L779 WeakPolarHBondContact O-CA 3.25Å; S770-L779 WeakPolarHBondContact OG-CD2 3.42Å; S770-C780 PolarHBondContact O-N 3.38Å
771	H	84.6	Confident	82.5	Confident	100 Å²	100	64.4 Å²	64.4	46%	0.463	36%	0.362	S	S	.	.	B	Isolated β-bridge	trans	-98.7	147.5	-169.5	-69.1	64.1	0	0	0	112.9	W765 N769 L779	W765-H771 PolarHBondContact NE1-O 3.11Å; N769-H771 PolarHBondContact O-N 3.42Å; H771-L779 VanDerWaalsContact CE1-CD2 3.46Å; H771-L779 WeakPolarHBondContact CE1-CD2 3.23Å
772	C	86	Confident	80.9	Confident	6 Å²	6	65.7 Å²	65.7	4%	0.041	37%	0.365	C	S	.	.			trans	-55.1	127.3	179.7	-169.3	0	0	0	0	113	A774 G775 C776 H778 C780	C772-A774 PolarHBondContact O-N 2.9Å; C772-A774 VanDerWaalsContact O-N 3.09Å; C772-G775 PolarHBondContact O-N 3.32Å; C772-C776 VanDerWaalsContact SG-SG 3.64Å; C772-H778 HydrophobicContact CB-CB 4.39Å; C772-H778 PolarHBondContact N-O 2.87Å; C772-C780 HydrophobicContact CB-CB 4.43Å; C772-C780 WeakPolarHBondContact CB-SG 3.43Å
773	P	86.7	Confident	79	Confident	25 Å²	25	72.2 Å²	72.2	16%	0.162	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-15.8	177.3	21.8	-30.9	0	0	0	114.4	A737 V738 I762 W765 G775	A737-P773 HydrophobicContact CB-CB 4.19Å; A737-P773 HydrophobicContact CB-CG 3.92Å; V738-P773 HydrophobicContact CG2-CB 3.54Å; V738-P773 HydrophobicContact CG2-CG 3.88Å; I762-P773 HydrophobicContact CD1-CG 3.88Å; W765-P773 HydrophobicContact CD2-CB 3.86Å; W765-P773 HydrophobicContact CG-CB 3.91Å; W765-P773 HydrophobicContact CG-CG 4.31Å; W765-P773 HydrophobicContact CZ2-CB 4.35Å; P773-G775 PolarHBondContact O-N 3.03Å
774	A	84.3	Confident	78.7	Confident	45 Å²	45	72.6 Å²	72.6	37%	0.372	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-0.6	173.2	0	0	0	0	0	113.6	A737 H755 C772 C776	A737-A774 HydrophobicContact CB-CB 4.11Å; H755-A774 HydrophobicContact CB-CB 3.92Å; C772-A774 PolarHBondContact O-N 2.9Å; C772-A774 VanDerWaalsContact O-N 3.09Å; A774-C776 VanDerWaalsContact C-N 3.28Å; A774-C776 PolarHBondContact O-N 3.23Å
775	G	82.7	Confident	78.3	Confident	67 Å²	67	71.8 Å²	71.8	69%	0.691	41%	0.407	S	S	*	.	S	Bend	trans	74.8	9	178.2	0	0	0	0	0	115.2	C772 P773 G777	C772-G775 PolarHBondContact O-N 3.32Å; P773-G775 PolarHBondContact O-N 3.03Å; G775-G777 PolarHBondContact O-N 3.37Å; G775-G777 VanDerWaalsContact O-N 3.11Å
776	C	82.8	Confident	77.7	Confident	62 Å²	62	70.6 Å²	70.6	42%	0.419	41%	0.41	S	S	.	.	S	Bend	trans	-78.8	14.9	-175	75.5	0	0	0	0	115.2	H755 C772 A774 H778	H755-C776 PolarHBondContact ND1-SG 2.77Å; C772-C776 VanDerWaalsContact SG-SG 3.64Å; A774-C776 VanDerWaalsContact C-N 3.28Å; A774-C776 PolarHBondContact O-N 3.23Å; C776-H778 PolarHBondContact O-N 2.88Å
777	G	79.1	Confident	77.3	Confident	54 Å²	54	73.6 Å²	73.6	56%	0.557	43%	0.429	S	S	*	.			trans	70.5	-11.8	178.4	0	0	0	0	0	116.8	G775	G775-G777 PolarHBondContact O-N 3.37Å; G775-G777 VanDerWaalsContact O-N 3.11Å
778	H	79.9	Confident	76.9	Confident	50 Å²	50	69.3 Å²	69.3	23%	0.231	42%	0.416	C	S	.	.			trans	-68.2	138.3	-178.5	-172.2	-76.7	0	0	0	112.4	C750 C753 C772 C776 C780	C750-H778 VanDerWaalsContact SG-CE1 3.56Å; C753-H778 HydrophobicContact CB-CB 3.79Å; C772-H778 HydrophobicContact CB-CB 4.39Å; C772-H778 PolarHBondContact N-O 2.87Å; C776-H778 PolarHBondContact O-N 2.88Å; H778-C780 PolarHBondContact ND1-N 3.04Å; H778-C780 PolarHBondContact ND1-SG 3.11Å; H778-C780 PolarHBondContact O-N 3.03Å; H778-C780 VanDerWaalsContact O-N 3.09Å
779	L	78.6	Confident	76.4	Confident	82 Å²	82	64.7 Å²	64.7	43%	0.429	40%	0.395	S	S	.	.	B	Isolated β-bridge	trans	-79.6	82.7	172.5	-69.7	170.3	0	0	0	110.3	N684 S770 H771 E781	N684-L779 PolarHBondContact ND2-O 2.91Å; S770-L779 CarbonylContact O-C 3.53Å; S770-L779 VanDerWaalsContact O-CA 3.28Å; S770-L779 WeakPolarHBondContact O-CA 3.25Å; S770-L779 WeakPolarHBondContact OG-CD2 3.42Å; H771-L779 VanDerWaalsContact CE1-CD2 3.46Å; H771-L779 WeakPolarHBondContact CE1-CD2 3.23Å; L779-E781 PolarHBondContact O-N 2.96Å; L779-E781 VanDerWaalsContact O-N 3.15Å
780	C	74.5	Confident	76	Confident	6 Å²	6	64.3 Å²	64.3	4%	0.041	40%	0.396	C	S	.	.			trans	-81.8	75.9	177.7	-64.7	0	0	0	0	110.7	C750 C753 L766 S770 C772 H778	C750-C780 HydrophobicContact CB-CB 4.17Å; C753-C780 PolarHBondContact SG-SG 2.98Å; L766-C780 VanDerWaalsContact CD1-O 3.28Å; L766-C780 WeakPolarHBondContact CD1-O 3.35Å; L766-C780 HydrophobicContact CD2-CB 4.47Å; L766-C780 WeakPolarHBondContact CD2-O 3.5Å; S770-C780 PolarHBondContact O-N 3.38Å; C772-C780 HydrophobicContact CB-CB 4.43Å; C772-C780 WeakPolarHBondContact CB-SG 3.43Å; H778-C780 PolarHBondContact ND1-N 3.04Å; H778-C780 PolarHBondContact ND1-SG 3.11Å; H778-C780 PolarHBondContact O-N 3.03Å; H778-C780 VanDerWaalsContact O-N 3.09Å
781	E	63.2	Low	75.7	Confident	113 Å²	113	65.6 Å²	65.6	53%	0.528	40%	0.401	S	S	.	.			trans	-72.2	136.4	178.2	-67.4	179.8	147.9	0	0	111.7	N684 L779	N684-E781 PolarHBondContact ND2-OE2 3.43Å; L779-E781 PolarHBondContact O-N 2.96Å; L779-E781 VanDerWaalsContact O-N 3.15Å
782	Y	55.3	Low	74.9	Confident	93 Å²	93	62.8 Å²	62.8	37%	0.365	40%	0.396	S	S	.	.			trans	-136.5	114.8	174	-177.7	-66.5	0	0	0	105.6	L759 M763 L766	L759-Y782 HydrophobicContact CD1-CE2 4.33Å; L759-Y782 WeakPolarHBondContact CD1-OH 3.47Å; M763-Y782 HydrophobicContact CE-CE1 4.15Å; M763-Y782 HydrophobicContact CG-CD1 4.29Å; M763-Y782 HydrophobicContact CG-CE1 3.61Å; M763-Y782 HydrophobicContact CG-CE2 4.27Å; M763-Y782 HydrophobicContact SD-CE1 4.41Å; L766-Y782 HydrophobicContact CD1-CG 4.27Å
783	T	46.3	Very low	73.9	Confident	150 Å²	150	67.9 Å²	67.9	92%	0.92	43%	0.429	S	S	*	.			trans	-138.7	0	-176.1	66.3	0	0	0	0	111.4	K691	K691-T783 PolarHBondContact NZ-O 3.09Å; K691-T783 PolarHBondContact NZ-OG1 3.3Å; K691-T783 PolarHBondContact NZ-OXT 3.08Å

Retrieved 783 of 783 residues in 186.6 ms (Link to these results)

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