A0A077ZBK5_TRITR Loading...

Abnormal cell migration protein 18-like fibronectin type I domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZBK5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 705 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	58	Low	56.5	Low	238 Å²	238	156 Å²	156	100%	1.172	80%	0.796	S	S	*	*				0	78.3	0	179	176.4	163.3	0	0	108.9
2	F	56.7	Low	56.4	Low	182 Å²	182	152.1 Å²	152.1	80%	0.798	78%	0.784	S	S	*	*			trans	-152.2	-22.8	-175.9	-125.7	-93.1	0	0	0	114.1	L4	F2-L4 VanDerWaalsContact C-N 3.31Å; F2-L4 PolarHBondContact O-N 3.49Å
3	F	56.3	Low	56.2	Low	184 Å²	184	149.6 Å²	149.6	81%	0.807	79%	0.786	S	S	*	*	G	3₁₀ helix	trans	-74.5	-11.1	178.7	-97.6	-94.2	0	0	0	115.5
4	L	56.3	Low	56	Low	141 Å²	141	150 Å²	150	74%	0.738	79%	0.788	S	S	*	*	G	3₁₀ helix	trans	-84.6	-7	-173.9	-112	154.2	0	0	0	114.4	F2	F2-L4 VanDerWaalsContact C-N 3.31Å; F2-L4 PolarHBondContact O-N 3.49Å
5	L	57.1	Low	55.8	Low	141 Å²	141	144.5 Å²	144.5	74%	0.738	78%	0.782	S	S	*	*	G	3₁₀ helix	trans	-90.9	-13.3	179.2	-83.8	163.6	0	0	0	114.2	L7	L5-L7 VanDerWaalsContact C-N 3.34Å; L5-L7 PolarHBondContact O-N 3.29Å
6	L	59.2	Low	55.7	Low	139 Å²	139	142 Å²	142	73%	0.728	79%	0.787	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.4	-6.1	-177.7	-73.7	170.1	0	0	0	114.4
7	L	56.9	Low	55.7	Low	145 Å²	145	139.8 Å²	139.8	76%	0.759	78%	0.784	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.5	-0.6	-177.2	-66.5	175.5	0	0	0	114.6	L5	L5-L7 VanDerWaalsContact C-N 3.34Å; L5-L7 PolarHBondContact O-N 3.29Å
8	Y	58.4	Low	55.9	Low	198 Å²	198	135.8 Å²	135.8	78%	0.776	77%	0.771	S	S	*	*	S	Bend	trans	-111.1	2.4	-179.8	-84.1	-81.7	0	0	0	114.6
9	G	56	Low	56	Low	66 Å²	66	132.2 Å²	132.2	68%	0.68	75%	0.754	S	S	*	*			trans	-88.5	-9.5	-176	0	0	0	0	0	116.2	H11	G9-H11 VanDerWaalsContact C-N 3.31Å; G9-H11 PolarHBondContact O-N 3.13Å
10	S	55.4	Low	56.3	Low	105 Å²	105	132 Å²	132	73%	0.734	75%	0.75	S	S	*	*			trans	-89.3	53	-167.8	-60.6	0	0	0	0	113.8	V12	S10-V12 PolarHBondContact O-N 3.23Å
11	H	51.5	Low	56.8	Low	177 Å²	177	128.8 Å²	128.8	82%	0.819	73%	0.73	S	S	*	*			trans	-70.8	84	160.7	-90.6	-72.6	0	0	0	109	G9 C13	G9-H11 VanDerWaalsContact C-N 3.31Å; G9-H11 PolarHBondContact O-N 3.13Å; H11-C13 PolarHBondContact O-N 3.1Å
12	V	54.6	Low	57.3	Low	109 Å²	109	122.4 Å²	122.4	66%	0.661	71%	0.705	S	S	*	*			trans	-59.7	107.7	162.3	178.2	0	0	0	0	106.4	S10 L14	S10-V12 PolarHBondContact O-N 3.23Å; V12-L14 PolarHBondContact O-N 2.87Å
13	C	53.8	Low	58	Low	120 Å²	120	119.9 Å²	119.9	81%	0.811	70%	0.7	S	S	*	*			trans	-62.8	95.4	161.1	-65.7	0	0	0	0	106.6	H11 G15	H11-C13 PolarHBondContact O-N 3.1Å; C13-G15 VanDerWaalsContact C-N 3.33Å; C13-G15 PolarHBondContact O-N 3.34Å
14	L	54.2	Low	59.3	Low	155 Å²	155	117.6 Å²	117.6	81%	0.812	69%	0.692	S	S	*	*			trans	-55.5	108.3	161	-80	89.2	0	0	0	105.1	V12 A16	V12-L14 PolarHBondContact O-N 2.87Å; L14-A16 PolarHBondContact O-N 3.27Å
15	G	52.4	Low	61	Low	67 Å²	67	111.4 Å²	111.4	69%	0.691	66%	0.66	S	S	*	*			trans	-53.5	131.7	179.1	0	0	0	0	0	107.9	C13 S17	C13-G15 VanDerWaalsContact C-N 3.33Å; C13-G15 PolarHBondContact O-N 3.34Å; G15-S17 PolarHBondContact O-N 3.36Å
16	A	54.2	Low	62.7	Low	105 Å²	105	113.2 Å²	113.2	87%	0.868	66%	0.662	S	S	*	*			trans	-55.5	102	-175.6	0	0	0	0	0	108.9	L14 A18	L14-A16 PolarHBondContact O-N 3.27Å; A16-A18 PolarHBondContact O-N 3.38Å
17	S	56	Low	64.4	Low	104 Å²	104	111 Å²	111	73%	0.727	65%	0.651	S	S	*	*			trans	-56.9	129.8	173.2	50.9	0	0	0	0	106.7	G15	G15-S17 PolarHBondContact O-N 3.36Å
18	A	59.5	Low	66.2	Low	68 Å²	68	106 Å²	106	56%	0.562	63%	0.634	S	S	*	*			trans	-43.7	130.3	174.4	0	0	0	0	0	108.4	A16 N20	A16-A18 PolarHBondContact O-N 3.38Å; A18-N20 PolarHBondContact O-N 2.74Å
19	P	58.3	Low	68	Low	68 Å²	68	102 Å²	102	44%	0.442	62%	0.621	S	S	.	*			trans	-50.7	132.4	-165.6	19.8	-32.9	0	0	0	109.2	I21	P19-I21 VanDerWaalsContact C-N 3.32Å; P19-I21 HydrophobicContact CG-CD1 4.31Å; P19-I21 WeakPolarHBondContact O-CB 3.36Å; P19-I21 WeakPolarHBondContact O-CD1 3.36Å; P19-I21 WeakPolarHBondContact O-CG1 3.45Å; P19-I21 PolarHBondContact O-N 3.24Å
20	N	61.8	Low	69.9	Low	127 Å²	127	101.6 Å²	101.6	68%	0.679	60%	0.601	S	S	*	*			trans	-68.5	93.1	-166.8	-158.5	16	0	0	0	109.6	A18 T22	A18-N20 PolarHBondContact O-N 2.74Å; N20-T22 PolarHBondContact O-N 3.46Å; N20-T22 PolarHBondContact O-OG1 2.86Å
21	I	66.1	Low	71.9	Confident	65 Å²	65	98.5 Å²	98.5	33%	0.333	58%	0.576	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.4	14	-161.7	-93.8	153.5	0	0	0	112.7	P19 Y45	P19-I21 VanDerWaalsContact C-N 3.32Å; P19-I21 HydrophobicContact CG-CD1 4.31Å; P19-I21 WeakPolarHBondContact O-CB 3.36Å; P19-I21 WeakPolarHBondContact O-CD1 3.36Å; P19-I21 WeakPolarHBondContact O-CG1 3.45Å; P19-I21 PolarHBondContact O-N 3.24Å; I21-Y45 HydrophobicContact CG1-CD2 3.96Å; I21-Y45 HydrophobicContact CG2-CD2 4.21Å
22	T	69	Low	74	Confident	105 Å²	105	92.9 Å²	92.9	64%	0.644	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.1	-20.5	176.4	50.5	0	0	0	0	113.9	N20 E24	N20-T22 PolarHBondContact O-N 3.46Å; N20-T22 PolarHBondContact O-OG1 2.86Å; T22-E24 PolarHBondContact O-N 3.05Å
23	D	71.3	Confident	75.8	Confident	128 Å²	128	90.5 Å²	90.5	68%	0.684	54%	0.537	S	S	*	.	S	Bend	trans	-63.9	127.9	175.5	-76	-6	0	0	0	110.7	C25	D23-C25 PolarHBondContact O-N 3.43Å
24	E	83.9	Confident	77.7	Confident	137 Å²	137	87.7 Å²	87.7	64%	0.64	53%	0.528	S	S	*	.			trans	-58.7	102.1	-178.5	-69	-153.2	120.5	0	0	111.6	T22 R43	T22-E24 PolarHBondContact O-N 3.05Å; E24-R43 WeakPolarHBondContact OE1-CD 3.38Å; E24-R43 IonicContact OE1-CZ 3.63Å; E24-R43 IonicContact OE1-NE 3.76Å; E24-R43 IonicContact OE1-NH1 3.13Å; E24-R43 PolarHBondContact OE1-NH1 2.87Å; E24-R43 IonicContact OE2-CZ 3.8Å; E24-R43 IonicContact OE2-NH1 2.74Å; E24-R43 PolarHBondContact OE2-NH1 2.83Å
25	C	91.3	Very high	79.5	Confident	10 Å²	10	84.1 Å²	84.1	7%	0.068	51%	0.506	C	S	.	.	P	Polyproline II helix	trans	-76.1	144.7	178.3	60.6	0	0	0	0	110.8	D23 D27 C40 R43 Y45	D23-C25 PolarHBondContact O-N 3.43Å; C25-D27 PolarHBondContact O-N 2.96Å; C25-C40 HydrophobicContact CB-CB 3.71Å; C25-C40 WeakPolarHBondContact CB-SG 3.32Å; C25-C40 PolarHBondContact O-SG 2.91Å; C25-C40 WeakPolarHBondContact SG-CB 3.19Å; C25-C40 CovalentContact SG-SG 2.02Å; C25-C40 PolarHBondContact SG-SG 3.38Å; C25-R43 PolarHBondContact SG-O 3.24Å; C25-R43 VanDerWaalsContact SG-O 3.4Å; C25-Y45 HydrophobicContact CB-CD2 4.08Å; C25-Y45 HydrophobicContact CB-CE1 4.13Å; C25-Y45 HydrophobicContact CB-CE2 3.47Å; C25-Y45 VanDerWaalsContact CB-CE2 3.47Å
26	K	93.1	Very high	81.5	Confident	180 Å²	180	82.5 Å²	82.5	78%	0.783	48%	0.482	S	S	*	.	P	Polyproline II helix	trans	-70.9	127.4	167.7	-67.3	-171.3	177.4	-175.8	0	108.6	K29 C40	K26-K29 WeakPolarHBondContact O-CB 3.38Å; K26-K29 PolarHBondContact O-N 2.8Å; K26-C40 VanDerWaalsContact C-SG 3.57Å; K26-C40 VanDerWaalsContact O-CB 3.28Å; K26-C40 WeakPolarHBondContact O-CB 3.4Å; K26-C40 PolarHBondContact O-SG 2.82Å
27	D	94.7	Very high	83.5	Confident	93 Å²	93	78.8 Å²	78.8	50%	0.497	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	142.1	-179.9	-75.7	-37.4	0	0	0	111.7	C25 K29 V41 N42 R43	C25-D27 PolarHBondContact O-N 2.96Å; D27-K29 VanDerWaalsContact C-N 3.26Å; D27-K29 PolarHBondContact O-N 3.15Å; D27-V41 WeakPolarHBondContact OD1-CA 3.14Å; D27-N42 WeakPolarHBondContact OD1-CA 3.43Å; D27-N42 PolarHBondContact OD1-N 2.79Å; D27-R43 PolarHBondContact OD1-N 2.79Å
28	G	95	Very high	85.4	Confident	39 Å²	39	75.2 Å²	75.2	40%	0.402	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.4	-19.5	-171.9	0	0	0	0	0	115.2	E30 C40	G28-E30 PolarHBondContact O-N 2.99Å; G28-C40 PolarHBondContact N-O 3.03Å
29	K	96	Very high	87.2	Confident	114 Å²	114	75.4 Å²	75.4	50%	0.496	40%	0.404	S	S	.	.			trans	-58.9	132.8	173.7	-179.3	175.3	172.1	-178.1	0	110.5	K26 D27 C40 Y45	K26-K29 WeakPolarHBondContact O-CB 3.38Å; K26-K29 PolarHBondContact O-N 2.8Å; D27-K29 VanDerWaalsContact C-N 3.26Å; D27-K29 PolarHBondContact O-N 3.15Å; K29-C40 HydrophobicContact CB-CB 4.33Å; K29-C40 WeakPolarHBondContact O-CB 3.39Å; K29-C40 PolarHBondContact O-N 2.97Å; K29-Y45 WeakPolarHBondContact CD-OH 3.45Å; K29-Y45 WeakPolarHBondContact CE-OH 3.27Å
30	E	96.6	Very high	89	Confident	58 Å²	58	72.2 Å²	72.2	27%	0.271	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	147.4	177.6	-64.1	-176.7	-175.6	0	0	111.3	G28 W37 Y38 K39 K56	G28-E30 PolarHBondContact O-N 2.99Å; E30-W37 VanDerWaalsContact CD-NE1 3.3Å; E30-W37 PolarHBondContact OE2-NE1 3.12Å; E30-Y38 VanDerWaalsContact CA-O 3.32Å; E30-Y38 WeakPolarHBondContact CA-O 3.21Å; E30-K39 HydrophobicContact CG-CB 4.26Å; E30-K39 HydrophobicContact CG-CD 4.01Å; E30-K39 HydrophobicContact CG-CG 3.88Å; E30-K39 WeakPolarHBondContact OE1-CE 3.45Å; E30-K39 IonicContact OE1-NZ 3.73Å; E30-K39 PolarHBondContact OE1-NZ 3.32Å; E30-K56 IonicContact OE2-NZ 3.56Å; E30-K56 PolarHBondContact OE2-NZ 2.91Å
31	I	95.8	Very high	90.6	Very high	40 Å²	40	68.7 Å²	68.7	21%	0.205	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	155.4	168.5	63	177.3	0	0	0	109.4	Y38 Y45	I31-Y38 HydrophobicContact CG1-CD2 4.33Å; I31-Y38 HydrophobicContact CG1-CG 4.35Å; I31-Y38 PolarHBondContact N-O 2.72Å; I31-Y38 PolarHBondContact O-N 3.45Å; I31-Y45 HydrophobicContact CB-CE1 4.42Å; I31-Y45 HydrophobicContact CD1-CD1 3.92Å; I31-Y45 HydrophobicContact CD1-CD2 4.22Å; I31-Y45 HydrophobicContact CD1-CE1 3.84Å; I31-Y45 HydrophobicContact CD1-CE2 4.12Å; I31-Y45 HydrophobicContact CD1-CG 4.11Å; I31-Y45 HydrophobicContact CG1-CD1 3.9Å; I31-Y45 HydrophobicContact CG1-CE1 3.78Å; I31-Y45 HydrophobicContact CG2-CE1 3.94Å
32	V	95.9	Very high	92	Very high	58 Å²	58	71.2 Å²	71.2	35%	0.352	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	129.3	169.2	173.7	0	0	0	0	106.6	Y51	V32-Y51 HydrophobicContact CG1-CD1 3.58Å; V32-Y51 HydrophobicContact CG1-CD2 4.29Å; V32-Y51 HydrophobicContact CG1-CE1 4.27Å; V32-Y51 HydrophobicContact CG1-CG 3.57Å; V32-Y51 HydrophobicContact CG2-CD2 4.09Å; V32-Y51 HydrophobicContact CG2-CG 4.16Å
33	D	93.1	Very high	93.2	Very high	60 Å²	60	73.1 Å²	73.1	32%	0.321	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	116.3	173.5	174.8	27.7	0	0	0	108.4	K35 I36 Y38	D33-K35 PolarHBondContact O-N 2.83Å; D33-I36 PolarHBondContact N-O 3.1Å; D33-I36 PolarHBondContact O-N 2.76Å; D33-Y38 HydrophobicContact CB-CD2 4.46Å; D33-Y38 HydrophobicContact CB-CE2 3.91Å
34	G	92.9	Very high	94.2	Very high	60 Å²	60	75.4 Å²	75.4	62%	0.619	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	-105.9	-167.7	0	0	0	0	0	112.8
35	K	91.9	Very high	94.7	Very high	80 Å²	80	70.7 Å²	70.7	35%	0.348	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.7	7.4	-178	-67	173.3	178.4	169.4	0	113.2	D33 C50 Y51 P246	D33-K35 PolarHBondContact O-N 2.83Å; K35-C50 WeakPolarHBondContact O-CA 3.31Å; K35-Y51 PolarHBondContact O-N 2.77Å; K35-P246 PolarHBondContact NZ-O 3Å
36	I	95.1	Very high	94.8	Very high	34 Å²	34	76.6 Å²	76.6	17%	0.174	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	129.1	-175.8	-53.3	-178.4	0	0	0	109.2	D33 Y38 K47 T80	D33-I36 PolarHBondContact N-O 3.1Å; D33-I36 PolarHBondContact O-N 2.76Å; I36-Y38 HydrophobicContact CB-CD2 4.35Å; I36-Y38 HydrophobicContact CB-CE2 3.61Å; I36-Y38 HydrophobicContact CG2-CD2 3.97Å; I36-Y38 HydrophobicContact CG2-CE1 4.25Å; I36-Y38 HydrophobicContact CG2-CE2 3.45Å; I36-Y38 VanDerWaalsContact CG2-CE2 3.45Å; I36-Y38 WeakPolarHBondContact O-CD2 3.34Å; I36-K47 HydrophobicContact CG2-CB 4.1Å; I36-K47 HydrophobicContact CG2-CD 4.19Å; I36-K47 HydrophobicContact CG2-CG 3.99Å; I36-T80 HydrophobicContact CG1-CG2 4.12Å
37	W	96.5	Very high	94.9	Very high	26 Å²	26	71.6 Å²	71.6	10%	0.098	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	126.9	174.4	169.6	40.6	0	0	0	109.7	E30 V48 G49 K56 L58	E30-W37 VanDerWaalsContact CD-NE1 3.3Å; E30-W37 PolarHBondContact OE2-NE1 3.12Å; W37-V48 HydrophobicContact CD2-CB 4.41Å; W37-V48 HydrophobicContact CD2-CG1 4.19Å; W37-V48 HydrophobicContact CE3-CB 4.41Å; W37-V48 HydrophobicContact CE3-CG1 3.88Å; W37-V48 HydrophobicContact CH2-CG1 3.84Å; W37-V48 HydrophobicContact CZ2-CG1 4.14Å; W37-V48 HydrophobicContact CZ3-CG1 3.71Å; W37-V48 PolarHBondContact O-N 3.16Å; W37-G49 PolarHBondContact N-O 3.3Å; W37-G49 PolarHBondContact O-N 2.94Å; W37-K56 HydrophobicContact CD2-CB 3.95Å; W37-K56 HydrophobicContact CD2-CD 4.24Å; W37-K56 HydrophobicContact CD2-CG 4.17Å; W37-K56 HydrophobicContact CE3-CB 3.95Å; W37-K56 HydrophobicContact CG-CB 4.4Å; W37-K56 HydrophobicContact CG-CD 4.36Å; W37-K56 HydrophobicContact CG-CG 4.17Å; W37-K56 HydrophobicContact CZ2-CD 4.29Å; W37-K56 HydrophobicContact CZ3-CB 4.24Å; W37-L58 HydrophobicContact CH2-CD2 3.98Å; W37-L58 HydrophobicContact CZ3-CD2 3.66Å; W37-L58 HydrophobicContact CZ3-CG 4.15Å
38	Y	95.8	Very high	95	Very high	30 Å²	30	68.7 Å²	68.7	12%	0.118	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	149.2	-179.9	-58.9	-106	0	0	0	111.3	E30 I31 D33 I36 R46 K47	E30-Y38 VanDerWaalsContact CA-O 3.32Å; E30-Y38 WeakPolarHBondContact CA-O 3.21Å; I31-Y38 HydrophobicContact CG1-CD2 4.33Å; I31-Y38 HydrophobicContact CG1-CG 4.35Å; I31-Y38 PolarHBondContact N-O 2.72Å; I31-Y38 PolarHBondContact O-N 3.45Å; D33-Y38 HydrophobicContact CB-CD2 4.46Å; D33-Y38 HydrophobicContact CB-CE2 3.91Å; I36-Y38 HydrophobicContact CB-CD2 4.35Å; I36-Y38 HydrophobicContact CB-CE2 3.61Å; I36-Y38 HydrophobicContact CG2-CD2 3.97Å; I36-Y38 HydrophobicContact CG2-CE1 4.25Å; I36-Y38 HydrophobicContact CG2-CE2 3.45Å; I36-Y38 VanDerWaalsContact CG2-CE2 3.45Å; I36-Y38 WeakPolarHBondContact O-CD2 3.34Å; Y38-R46 CarbonylContact C-O 3.58Å; Y38-R46 WeakPolarHBondContact CA-O 3.28Å; Y38-K47 HydrophobicContact CD1-CB 4.43Å; Y38-K47 HydrophobicContact CD1-CG 3.99Å; Y38-K47 HydrophobicContact CE1-CB 4.44Å; Y38-K47 HydrophobicContact CE1-CG 3.56Å
39	K	96.7	Very high	95.1	Very high	71 Å²	71	66.9 Å²	66.9	31%	0.309	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	137.8	172.1	-165.5	159.3	-168.5	146.9	0	110.4	E30 V41 R46 V48	E30-K39 HydrophobicContact CG-CB 4.26Å; E30-K39 HydrophobicContact CG-CD 4.01Å; E30-K39 HydrophobicContact CG-CG 3.88Å; E30-K39 WeakPolarHBondContact OE1-CE 3.45Å; E30-K39 IonicContact OE1-NZ 3.73Å; E30-K39 PolarHBondContact OE1-NZ 3.32Å; K39-V41 PolarHBondContact O-N 3.33Å; K39-R46 PolarHBondContact N-O 2.93Å; K39-R46 PolarHBondContact O-N 2.89Å; K39-V48 HydrophobicContact CB-CB 4.5Å; K39-V48 HydrophobicContact CB-CG2 3.63Å
40	C	96.1	Very high	95.1	Very high	1 Å²	1	61.4 Å²	61.4	1%	0.007	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	122.5	173.6	-170.3	0	0	0	0	110.4	C25 K26 G28 K29 Y45	C25-C40 HydrophobicContact CB-CB 3.71Å; C25-C40 WeakPolarHBondContact CB-SG 3.32Å; C25-C40 PolarHBondContact O-SG 2.91Å; C25-C40 WeakPolarHBondContact SG-CB 3.19Å; C25-C40 CovalentContact SG-SG 2.02Å; C25-C40 PolarHBondContact SG-SG 3.38Å; K26-C40 VanDerWaalsContact C-SG 3.57Å; K26-C40 VanDerWaalsContact O-CB 3.28Å; K26-C40 WeakPolarHBondContact O-CB 3.4Å; K26-C40 PolarHBondContact O-SG 2.82Å; G28-C40 PolarHBondContact N-O 3.03Å; K29-C40 HydrophobicContact CB-CB 4.33Å; K29-C40 WeakPolarHBondContact O-CB 3.39Å; K29-C40 PolarHBondContact O-N 2.97Å; C40-Y45 HydrophobicContact CB-CD1 4.21Å; C40-Y45 HydrophobicContact CB-CE1 4.14Å
41	V	95.9	Very high	95.1	Very high	54 Å²	54	62 Å²	62	33%	0.327	29%	0.294	S	S	.	.	S	Bend	trans	-142.8	113.4	177.6	-177	0	0	0	0	110.1	D27 K39 R44 R46	D27-V41 WeakPolarHBondContact OD1-CA 3.14Å; K39-V41 PolarHBondContact O-N 3.33Å; V41-R44 PolarHBondContact N-O 3.01Å; V41-R46 HydrophobicContact CB-CG 4.36Å; V41-R46 PolarHBondContact O-NE 2.04Å
42	N	95.6	Very high	95	Very high	118 Å²	118	60.9 Å²	60.9	63%	0.631	29%	0.287	S	S	*	.	S	Bend	trans	61.3	53.6	-170.1	-53.3	6.5	0	0	0	111.4	D27 R44	D27-N42 WeakPolarHBondContact OD1-CA 3.43Å; D27-N42 PolarHBondContact OD1-N 2.79Å; N42-R44 PolarHBondContact O-N 3.14Å
43	R	93.9	Very high	94.9	Very high	145 Å²	145	60.7 Å²	60.7	55%	0.547	28%	0.284	S	S	.	.	S	Bend	trans	57.3	12.2	-177.5	-54.7	-171.6	-175.4	-174.5	-3.6	116.1	E24 C25 D27	E24-R43 WeakPolarHBondContact OE1-CD 3.38Å; E24-R43 IonicContact OE1-CZ 3.63Å; E24-R43 IonicContact OE1-NE 3.76Å; E24-R43 IonicContact OE1-NH1 3.13Å; E24-R43 PolarHBondContact OE1-NH1 2.87Å; E24-R43 IonicContact OE2-CZ 3.8Å; E24-R43 IonicContact OE2-NH1 2.74Å; E24-R43 PolarHBondContact OE2-NH1 2.83Å; C25-R43 PolarHBondContact SG-O 3.24Å; C25-R43 VanDerWaalsContact SG-O 3.4Å; D27-R43 PolarHBondContact OD1-N 2.79Å
44	R	92.7	Very high	94.9	Very high	175 Å²	175	64.1 Å²	64.1	66%	0.66	30%	0.302	S	S	*	.	S	Bend	trans	-125.2	132.2	179.1	-64.7	-177.6	178.3	-167.8	-3.9	110.2	V41 N42 R46	V41-R44 PolarHBondContact N-O 3.01Å; N42-R44 PolarHBondContact O-N 3.14Å; R44-R46 PolarHBondContact O-N 2.99Å
45	Y	93.8	Very high	95	Very high	38 Å²	38	65.6 Å²	65.6	15%	0.149	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	124.3	173.2	-72.4	-75.6	0	0	0	110.6	I21 C25 K29 I31 C40	I21-Y45 HydrophobicContact CG1-CD2 3.96Å; I21-Y45 HydrophobicContact CG2-CD2 4.21Å; C25-Y45 HydrophobicContact CB-CD2 4.08Å; C25-Y45 HydrophobicContact CB-CE1 4.13Å; C25-Y45 HydrophobicContact CB-CE2 3.47Å; C25-Y45 VanDerWaalsContact CB-CE2 3.47Å; K29-Y45 WeakPolarHBondContact CD-OH 3.45Å; K29-Y45 WeakPolarHBondContact CE-OH 3.27Å; I31-Y45 HydrophobicContact CB-CE1 4.42Å; I31-Y45 HydrophobicContact CD1-CD1 3.92Å; I31-Y45 HydrophobicContact CD1-CD2 4.22Å; I31-Y45 HydrophobicContact CD1-CE1 3.84Å; I31-Y45 HydrophobicContact CD1-CE2 4.12Å; I31-Y45 HydrophobicContact CD1-CG 4.11Å; I31-Y45 HydrophobicContact CG1-CD1 3.9Å; I31-Y45 HydrophobicContact CG1-CE1 3.78Å; I31-Y45 HydrophobicContact CG2-CE1 3.94Å; C40-Y45 HydrophobicContact CB-CD1 4.21Å; C40-Y45 HydrophobicContact CB-CE1 4.14Å
46	R	94.3	Very high	95.2	Very high	134 Å²	134	66.6 Å²	66.6	51%	0.506	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	142	171.6	-57.1	-172.6	-173.9	-150.6	-1.1	108.8	Y38 K39 V41 R44 V48	Y38-R46 CarbonylContact C-O 3.58Å; Y38-R46 WeakPolarHBondContact CA-O 3.28Å; K39-R46 PolarHBondContact N-O 2.93Å; K39-R46 PolarHBondContact O-N 2.89Å; V41-R46 HydrophobicContact CB-CG 4.36Å; V41-R46 PolarHBondContact O-NE 2.04Å; R44-R46 PolarHBondContact O-N 2.99Å; R46-V48 PolarHBondContact O-N 3.39Å
47	K	95	Very high	95.2	Very high	75 Å²	75	65.4 Å²	65.4	33%	0.326	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	133.3	167	-48.4	178.9	-176.6	174.4	0	108.6	I36 Y38 Y59 N78	I36-K47 HydrophobicContact CG2-CB 4.1Å; I36-K47 HydrophobicContact CG2-CD 4.19Å; I36-K47 HydrophobicContact CG2-CG 3.99Å; Y38-K47 HydrophobicContact CD1-CB 4.43Å; Y38-K47 HydrophobicContact CD1-CG 3.99Å; Y38-K47 HydrophobicContact CE1-CB 4.44Å; Y38-K47 HydrophobicContact CE1-CG 3.56Å; K47-Y59 HydrophobicContact CB-CE2 3.95Å; K47-Y59 WeakPolarHBondContact CB-OH 3.46Å; K47-N78 PolarHBondContact NZ-O 2.83Å
48	V	96.3	Very high	95.3	Very high	33 Å²	33	68.3 Å²	68.3	20%	0.2	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	-25.5	-177.1	167	0	0	0	0	112.1	W37 K39 R46 L58 Y59	W37-V48 HydrophobicContact CD2-CB 4.41Å; W37-V48 HydrophobicContact CD2-CG1 4.19Å; W37-V48 HydrophobicContact CE3-CB 4.41Å; W37-V48 HydrophobicContact CE3-CG1 3.88Å; W37-V48 HydrophobicContact CH2-CG1 3.84Å; W37-V48 HydrophobicContact CZ2-CG1 4.14Å; W37-V48 HydrophobicContact CZ3-CG1 3.71Å; W37-V48 PolarHBondContact O-N 3.16Å; K39-V48 HydrophobicContact CB-CB 4.5Å; K39-V48 HydrophobicContact CB-CG2 3.63Å; R46-V48 PolarHBondContact O-N 3.39Å; V48-L58 HydrophobicContact CG1-CD2 3.48Å; V48-L58 VanDerWaalsContact CG1-CD2 3.48Å; V48-Y59 WeakPolarHBondContact O-CD2 3.41Å; V48-Y59 PolarHBondContact O-N 2.92Å
49	G	96.9	Very high	95.3	Very high	0 Å²	0	69.2 Å²	69.2	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.2	-150.3	175.5	0	0	0	0	0	113.1	W37 F57 C72	W37-G49 PolarHBondContact N-O 3.3Å; W37-G49 PolarHBondContact O-N 2.94Å; G49-F57 CarbonylContact C-O 3.34Å; G49-F57 VanDerWaalsContact CA-O 3.27Å; G49-F57 WeakPolarHBondContact CA-O 3.39Å; G49-C72 VanDerWaalsContact C-SG 3.6Å
50	C	97.2	Very high	95.3	Very high	0 Å²	0	71.6 Å²	71.6	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	155.5	-176.6	-63.8	0	0	0	0	111	K35 F57 C72 T80 V82	K35-C50 WeakPolarHBondContact O-CA 3.31Å; C50-F57 HydrophobicContact CB-CD1 3.95Å; C50-F57 HydrophobicContact CB-CE1 3.46Å; C50-F57 VanDerWaalsContact CB-CE1 3.46Å; C50-F57 HydrophobicContact CB-CZ 3.93Å; C50-F57 PolarHBondContact N-O 3.24Å; C50-F57 PolarHBondContact O-N 2.89Å; C50-C72 HydrophobicContact CB-CB 3.69Å; C50-C72 WeakPolarHBondContact CB-SG 3.03Å; C50-C72 PolarHBondContact N-SG 2.8Å; C50-C72 VanDerWaalsContact SG-CA 3.55Å; C50-C72 WeakPolarHBondContact SG-CB 3.49Å; C50-C72 CovalentContact SG-SG 2.03Å; C50-C72 PolarHBondContact SG-SG 2.84Å; C50-T80 WeakPolarHBondContact SG-CG2 3.28Å; C50-V82 HydrophobicContact CB-CG2 3.82Å
51	Y	96.1	Very high	95.3	Very high	70 Å²	70	74.1 Å²	74.1	28%	0.275	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	120.5	163	-175.4	-108.8	0	0	0	108.8	V32 K35 D54 Q55 K56	V32-Y51 HydrophobicContact CG1-CD1 3.58Å; V32-Y51 HydrophobicContact CG1-CD2 4.29Å; V32-Y51 HydrophobicContact CG1-CE1 4.27Å; V32-Y51 HydrophobicContact CG1-CG 3.57Å; V32-Y51 HydrophobicContact CG2-CD2 4.09Å; V32-Y51 HydrophobicContact CG2-CG 4.16Å; K35-Y51 PolarHBondContact O-N 2.77Å; Y51-D54 VanDerWaalsContact CE2-C 3.49Å; Y51-D54 WeakPolarHBondContact CE2-O 3.26Å; Y51-D54 WeakPolarHBondContact OH-CA 3.31Å; Y51-D54 PolarHBondContact OH-OD1 2.81Å; Y51-Q55 WeakPolarHBondContact CA-O 3.4Å; Y51-K56 HydrophobicContact CD2-CG 4Å
52	F	94.4	Very high	95.3	Very high	16 Å²	16	74.9 Å²	74.9	7%	0.07	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	142.1	-175.3	-172.6	-119.2	0	0	0	110.8	D54 Q55 F57 I63 Y70 V82 P245 V247	F52-D54 PolarHBondContact O-N 3.19Å; F52-Q55 PolarHBondContact N-O 3.07Å; F52-Q55 PolarHBondContact O-N 2.94Å; F52-F57 HydrophobicContact CB-CE1 3.88Å; F52-I63 HydrophobicContact CD1-CD1 4.43Å; F52-Y70 HydrophobicContact CD1-CD1 4.39Å; F52-Y70 HydrophobicContact CD1-CD2 4.39Å; F52-Y70 HydrophobicContact CD1-CG 4.21Å; F52-Y70 AromaticContact CE1-CD1 3.66Å; F52-Y70 HydrophobicContact CE1-CD1 3.66Å; F52-Y70 HydrophobicContact CE1-CD2 4.01Å; F52-Y70 AromaticContact CE1-CE1 3.64Å; F52-Y70 HydrophobicContact CE1-CE1 3.64Å; F52-Y70 AromaticContact CE1-CE2 3.99Å; F52-Y70 HydrophobicContact CE1-CE2 3.99Å; F52-Y70 AromaticContact CE1-CG 3.84Å; F52-Y70 HydrophobicContact CE1-CG 3.84Å; F52-Y70 AromaticContact CE1-CZ 3.81Å; F52-Y70 HydrophobicContact CZ-CD1 4.47Å; F52-Y70 HydrophobicContact CZ-CE1 4.17Å; F52-V82 HydrophobicContact CB-CG2 4.14Å; F52-V82 HydrophobicContact CD1-CG1 3.85Å; F52-V82 HydrophobicContact CE1-CG1 4.14Å; F52-V82 HydrophobicContact CG-CG1 4.17Å; F52-V82 HydrophobicContact CG-CG2 4.31Å; F52-P245 HydrophobicContact CE2-CG 3.79Å; F52-P245 HydrophobicContact CZ-CG 3.73Å; F52-V247 HydrophobicContact CD2-CG2 4.49Å; F52-V247 HydrophobicContact CE2-CG2 3.5Å; F52-V247 HydrophobicContact CZ-CG2 3.75Å
53	L	92.5	Very high	95.3	Very high	54 Å²	54	70.2 Å²	70.2	28%	0.283	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.5	42.6	-174.3	-62.2	171.2	0	0	0	111.9	Q55 D65 Y70 P245	L53-Q55 PolarHBondContact O-N 2.78Å; L53-D65 HydrophobicContact CD1-CB 3.94Å; L53-Y70 HydrophobicContact CD1-CD2 4.22Å; L53-Y70 HydrophobicContact CD1-CE2 3.62Å; L53-P245 HydrophobicContact CD2-CG 3.97Å
54	D	93.8	Very high	95.3	Very high	132 Å²	132	67.6 Å²	67.6	71%	0.706	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	10.8	-174.9	-52.7	-46.5	0	0	0	116.5	Y51 F52	Y51-D54 VanDerWaalsContact CE2-C 3.49Å; Y51-D54 WeakPolarHBondContact CE2-O 3.26Å; Y51-D54 WeakPolarHBondContact OH-CA 3.31Å; Y51-D54 PolarHBondContact OH-OD1 2.81Å; F52-D54 PolarHBondContact O-N 3.19Å
55	Q	95.2	Very high	95.3	Very high	92 Å²	92	61.3 Å²	61.3	43%	0.43	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	138.6	177.6	-65.8	174.7	25.8	0	0	112	Y51 F52 L53 I63	Y51-Q55 WeakPolarHBondContact CA-O 3.4Å; F52-Q55 PolarHBondContact N-O 3.07Å; F52-Q55 PolarHBondContact O-N 2.94Å; L53-Q55 PolarHBondContact O-N 2.78Å; Q55-I63 HydrophobicContact CB-CD1 4.23Å
56	K	96	Very high	95.2	Very high	101 Å²	101	61.3 Å²	61.3	44%	0.439	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	130.2	166.6	-66.1	170.2	176.2	177.4	0	109.2	E30 W37 Y51	E30-K56 IonicContact OE2-NZ 3.56Å; E30-K56 PolarHBondContact OE2-NZ 2.91Å; W37-K56 HydrophobicContact CD2-CB 3.95Å; W37-K56 HydrophobicContact CD2-CD 4.24Å; W37-K56 HydrophobicContact CD2-CG 4.17Å; W37-K56 HydrophobicContact CE3-CB 3.95Å; W37-K56 HydrophobicContact CG-CB 4.4Å; W37-K56 HydrophobicContact CG-CD 4.36Å; W37-K56 HydrophobicContact CG-CG 4.17Å; W37-K56 HydrophobicContact CZ2-CD 4.29Å; W37-K56 HydrophobicContact CZ3-CB 4.24Å; Y51-K56 HydrophobicContact CD2-CG 4Å
57	F	95	Very high	95.1	Very high	9 Å²	9	56.5 Å²	56.5	4%	0.039	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	146.1	175.3	67.8	-62.1	0	0	0	112.7	G49 C50 F52 I63 C72 V82	G49-F57 CarbonylContact C-O 3.34Å; G49-F57 VanDerWaalsContact CA-O 3.27Å; G49-F57 WeakPolarHBondContact CA-O 3.39Å; C50-F57 HydrophobicContact CB-CD1 3.95Å; C50-F57 HydrophobicContact CB-CE1 3.46Å; C50-F57 VanDerWaalsContact CB-CE1 3.46Å; C50-F57 HydrophobicContact CB-CZ 3.93Å; C50-F57 PolarHBondContact N-O 3.24Å; C50-F57 PolarHBondContact O-N 2.89Å; F52-F57 HydrophobicContact CB-CE1 3.88Å; F57-I63 HydrophobicContact CB-CG2 3.58Å; F57-I63 HydrophobicContact CD1-CD1 3.76Å; F57-I63 HydrophobicContact CD1-CG1 4.23Å; F57-I63 HydrophobicContact CD1-CG2 4.24Å; F57-I63 HydrophobicContact CD2-CB 4.36Å; F57-I63 HydrophobicContact CD2-CD1 4.43Å; F57-I63 HydrophobicContact CD2-CG1 4Å; F57-I63 HydrophobicContact CD2-CG2 3.75Å; F57-I63 HydrophobicContact CE1-CD1 3.6Å; F57-I63 HydrophobicContact CE1-CG1 4.07Å; F57-I63 HydrophobicContact CE2-CD1 4.25Å; F57-I63 HydrophobicContact CE2-CG1 3.78Å; F57-I63 HydrophobicContact CE2-CG2 4.41Å; F57-I63 HydrophobicContact CG-CD1 4.19Å; F57-I63 HydrophobicContact CG-CG1 4.21Å; F57-I63 HydrophobicContact CG-CG2 3.64Å; F57-I63 HydrophobicContact CZ-CD1 3.86Å; F57-I63 HydrophobicContact CZ-CG1 3.83Å; F57-C72 HydrophobicContact CD2-CB 3.82Å; F57-C72 HydrophobicContact CE1-CB 4.43Å; F57-C72 HydrophobicContact CE2-CB 3.5Å; F57-C72 HydrophobicContact CG-CB 4.46Å; F57-C72 HydrophobicContact CZ-CB 3.83Å; F57-V82 HydrophobicContact CE1-CG2 4.46Å; F57-V82 HydrophobicContact CZ-CG1 4.25Å; F57-V82 HydrophobicContact CZ-CG2 4.18Å
58	L	97.4	Very high	95.1	Very high	86 Å²	86	53 Å²	53	45%	0.45	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	156.4	-170.6	-65.2	169.3	0	0	0	112.2	W37 V48 N60 T61	W37-L58 HydrophobicContact CH2-CD2 3.98Å; W37-L58 HydrophobicContact CZ3-CD2 3.66Å; W37-L58 HydrophobicContact CZ3-CG 4.15Å; V48-L58 HydrophobicContact CG1-CD2 3.48Å; V48-L58 VanDerWaalsContact CG1-CD2 3.48Å; L58-N60 PolarHBondContact O-N 3.4Å; L58-T61 HydrophobicContact CB-CG2 3.78Å; L58-T61 PolarHBondContact N-OG1 2.04Å; L58-T61 VanDerWaalsContact N-OG1 3.14Å; L58-T61 PolarHBondContact O-N 3.26Å; L58-T61 VanDerWaalsContact O-N 3.15Å; L58-T61 PolarHBondContact O-OG1 2.86Å
59	Y	96.8	Very high	95	Very high	49 Å²	49	52.5 Å²	52.5	19%	0.192	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55	140.9	167.6	-67.8	-53.1	0	0	0	112.4	K47 V48 T61 C72 V74 T80	K47-Y59 HydrophobicContact CB-CE2 3.95Å; K47-Y59 WeakPolarHBondContact CB-OH 3.46Å; V48-Y59 WeakPolarHBondContact O-CD2 3.41Å; V48-Y59 PolarHBondContact O-N 2.92Å; Y59-T61 PolarHBondContact O-N 3.42Å; Y59-C72 WeakPolarHBondContact CD1-SG 3.48Å; Y59-V74 HydrophobicContact CD1-CG2 3.38Å; Y59-V74 HydrophobicContact CD2-CG2 4.07Å; Y59-V74 HydrophobicContact CE1-CG2 3.36Å; Y59-V74 HydrophobicContact CE2-CG2 4.02Å; Y59-V74 HydrophobicContact CG-CG2 3.77Å; Y59-T80 HydrophobicContact CE1-CG2 3.81Å; Y59-T80 PolarHBondContact OH-OG1 2.82Å
60	N	95.9	Very high	95	Very high	122 Å²	122	52.6 Å²	52.6	65%	0.652	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.2	16.8	-176.2	-49.8	-31.2	0	0	0	114.5	L58 C72	L58-N60 PolarHBondContact O-N 3.4Å; N60-C72 PolarHBondContact N-O 2.88Å
61	T	96.8	Very high	94.9	Very high	53 Å²	53	55.1 Å²	55.1	33%	0.325	29%	0.291	S	S	.	.			trans	-105.4	158.1	168.9	68.2	0	0	0	0	111.5	L58 Y59 M71 C72	L58-T61 HydrophobicContact CB-CG2 3.78Å; L58-T61 PolarHBondContact N-OG1 2.04Å; L58-T61 VanDerWaalsContact N-OG1 3.14Å; L58-T61 PolarHBondContact O-N 3.26Å; L58-T61 VanDerWaalsContact O-N 3.15Å; L58-T61 PolarHBondContact O-OG1 2.86Å; Y59-T61 PolarHBondContact O-N 3.42Å; T61-M71 WeakPolarHBondContact O-CA 3.39Å; T61-C72 PolarHBondContact O-N 3Å
62	T	95.9	Very high	95	Very high	70 Å²	70	51.8 Å²	51.8	43%	0.429	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	141.3	177.8	47.5	0	0	0	0	112.5	E69 Y70 M71	T62-E69 HydrophobicContact CG2-CG 3.95Å; T62-Y70 CarbonylContact C-O 3.51Å; T62-Y70 WeakPolarHBondContact CA-O 3.04Å; T62-M71 HydrophobicContact CG2-CB 3.91Å; T62-M71 HydrophobicContact CG2-CG 4.14Å; T62-M71 HydrophobicContact CG2-SD 4.28Å
63	I	95.6	Very high	95	Very high	20 Å²	20	52.5 Å²	52.5	10%	0.103	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	167.5	162.3	60.5	171.5	0	0	0	109.8	F52 Q55 F57 E69 Y70	F52-I63 HydrophobicContact CD1-CD1 4.43Å; Q55-I63 HydrophobicContact CB-CD1 4.23Å; F57-I63 HydrophobicContact CB-CG2 3.58Å; F57-I63 HydrophobicContact CD1-CD1 3.76Å; F57-I63 HydrophobicContact CD1-CG1 4.23Å; F57-I63 HydrophobicContact CD1-CG2 4.24Å; F57-I63 HydrophobicContact CD2-CB 4.36Å; F57-I63 HydrophobicContact CD2-CD1 4.43Å; F57-I63 HydrophobicContact CD2-CG1 4Å; F57-I63 HydrophobicContact CD2-CG2 3.75Å; F57-I63 HydrophobicContact CE1-CD1 3.6Å; F57-I63 HydrophobicContact CE1-CG1 4.07Å; F57-I63 HydrophobicContact CE2-CD1 4.25Å; F57-I63 HydrophobicContact CE2-CG1 3.78Å; F57-I63 HydrophobicContact CE2-CG2 4.41Å; F57-I63 HydrophobicContact CG-CD1 4.19Å; F57-I63 HydrophobicContact CG-CG1 4.21Å; F57-I63 HydrophobicContact CG-CG2 3.64Å; F57-I63 HydrophobicContact CZ-CD1 3.86Å; F57-I63 HydrophobicContact CZ-CG1 3.83Å; I63-E69 WeakPolarHBondContact O-CA 3.32Å; I63-Y70 HydrophobicContact CG1-CD2 4.35Å; I63-Y70 PolarHBondContact N-O 2.94Å; I63-Y70 PolarHBondContact O-N 3.27Å
64	N	94.4	Very high	95.1	Very high	90 Å²	90	52.8 Å²	52.8	48%	0.481	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	154.7	173.5	70	88.5	0	0	0	112.1	G66 V68 L88	N64-G66 PolarHBondContact OD1-N 2.83Å; N64-V68 WeakPolarHBondContact CA-O 3.03Å; N64-V68 VanDerWaalsContact CB-O 3.27Å; N64-V68 WeakPolarHBondContact CB-O 3.5Å; N64-L88 HydrophobicContact CB-CD1 3.64Å
65	D	92.3	Very high	95.1	Very high	44 Å²	44	48.5 Å²	48.5	24%	0.235	27%	0.265	C	S	.	.			trans	-103.9	14.8	175.8	63.6	26.2	0	0	0	113	L53 S67 V68 Y70	L53-D65 HydrophobicContact CD1-CB 3.94Å; D65-S67 PolarHBondContact O-N 2.63Å; D65-S67 VanDerWaalsContact OD1-CA 3.3Å; D65-S67 WeakPolarHBondContact OD1-CA 3.22Å; D65-S67 WeakPolarHBondContact OD1-CB 3.09Å; D65-S67 PolarHBondContact OD1-N 3.04Å; D65-S67 PolarHBondContact OD1-OG 2.9Å; D65-V68 PolarHBondContact N-O 3.25Å; D65-V68 PolarHBondContact OD1-N 3.17Å; D65-Y70 HydrophobicContact CB-CE2 4.24Å; D65-Y70 WeakPolarHBondContact OD2-CE2 3.32Å; D65-Y70 VanDerWaalsContact OD2-CZ 3.31Å; D65-Y70 PolarHBondContact OD2-OH 2.76Å
66	G	91.8	Very high	95	Very high	37 Å²	37	49.8 Å²	49.8	38%	0.381	29%	0.291	S	S	.	.	S	Bend	trans	81.7	-13.7	-170.7	0	0	0	0	0	115.2	N64	N64-G66 PolarHBondContact OD1-N 2.83Å
67	S	91.4	Very high	95	Very high	33 Å²	33	49.7 Å²	49.7	23%	0.231	30%	0.299	C	S	.	.	S	Bend	trans	-124.7	-26.1	-179.3	76.6	0	0	0	0	114.5	D65 L88 Y242	D65-S67 PolarHBondContact O-N 2.63Å; D65-S67 VanDerWaalsContact OD1-CA 3.3Å; D65-S67 WeakPolarHBondContact OD1-CA 3.22Å; D65-S67 WeakPolarHBondContact OD1-CB 3.09Å; D65-S67 PolarHBondContact OD1-N 3.04Å; D65-S67 PolarHBondContact OD1-OG 2.9Å; S67-L88 PolarHBondContact O-N 3.47Å; S67-Y242 WeakPolarHBondContact OG-CD2 3.43Å
68	V	94.6	Very high	94.8	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.006	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	145.6	-178.9	-176.1	0	0	0	0	109.7	N64 D65 Y70 V84 V116 Y242	N64-V68 WeakPolarHBondContact CA-O 3.03Å; N64-V68 VanDerWaalsContact CB-O 3.27Å; N64-V68 WeakPolarHBondContact CB-O 3.5Å; D65-V68 PolarHBondContact N-O 3.25Å; D65-V68 PolarHBondContact OD1-N 3.17Å; V68-Y70 HydrophobicContact CB-CE1 4.25Å; V68-Y70 HydrophobicContact CB-CE2 3.92Å; V68-Y70 WeakPolarHBondContact CB-OH 3.47Å; V68-Y70 HydrophobicContact CG1-CD1 4.15Å; V68-Y70 HydrophobicContact CG1-CE1 3.58Å; V68-Y70 HydrophobicContact CG1-CE2 4.02Å; V68-V84 HydrophobicContact CG1-CB 4.39Å; V68-V84 HydrophobicContact CG1-CG1 3.7Å; V68-V84 HydrophobicContact CG1-CG2 3.95Å; V68-V116 HydrophobicContact CG1-CG1 4.3Å; V68-V116 HydrophobicContact CG1-CG2 4.13Å; V68-V116 HydrophobicContact CG2-CB 3.88Å; V68-V116 HydrophobicContact CG2-CG1 3.77Å; V68-V116 HydrophobicContact CG2-CG2 4.27Å; V68-Y242 HydrophobicContact CG2-CD1 3.99Å; V68-Y242 HydrophobicContact CG2-CG 4.26Å
69	E	95.7	Very high	94.6	Very high	23 Å²	23	53.3 Å²	53.3	11%	0.107	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	131.1	170.1	-172.5	-168.9	81.2	0	0	110	T62 I63 V84 T85 A86 R93	T62-E69 HydrophobicContact CG2-CG 3.95Å; I63-E69 WeakPolarHBondContact O-CA 3.32Å; E69-V84 WeakPolarHBondContact O-CA 3.42Å; E69-T85 WeakPolarHBondContact CG-OG1 3.34Å; E69-T85 PolarHBondContact O-N 3.42Å; E69-T85 PolarHBondContact O-OG1 3.22Å; E69-T85 VanDerWaalsContact OE1-CB 3.3Å; E69-T85 WeakPolarHBondContact OE1-CB 3.13Å; E69-T85 PolarHBondContact OE1-OG1 3.32Å; E69-A86 HydrophobicContact CB-CB 4Å; E69-A86 PolarHBondContact N-O 3.41Å; E69-R93 VanDerWaalsContact CD-NE 3.27Å; E69-R93 IonicContact OE1-CZ 2.72Å; E69-R93 IonicContact OE1-NE 3.55Å; E69-R93 PolarHBondContact OE1-NE 3.29Å; E69-R93 IonicContact OE1-NH2 3.1Å; E69-R93 PolarHBondContact OE1-NH2 3.44Å; E69-R93 WeakPolarHBondContact OE2-CD 3.34Å; E69-R93 IonicContact OE2-CZ 3.9Å; E69-R93 IonicContact OE2-NE 2.73Å; E69-R93 PolarHBondContact OE2-NE 2.89Å; E69-R93 IonicContact OE2-NH2 2.69Å
70	Y	96	Very high	94.4	Very high	2 Å²	2	52.2 Å²	52.2	1%	0.008	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	138.1	-178.2	-54.2	-81	0	0	0	110.7	F52 L53 T62 I63 D65 V68 V82 V84 Y242 L244	F52-Y70 HydrophobicContact CD1-CD1 4.39Å; F52-Y70 HydrophobicContact CD1-CD2 4.39Å; F52-Y70 HydrophobicContact CD1-CG 4.21Å; F52-Y70 AromaticContact CE1-CD1 3.66Å; F52-Y70 HydrophobicContact CE1-CD1 3.66Å; F52-Y70 HydrophobicContact CE1-CD2 4.01Å; F52-Y70 AromaticContact CE1-CE1 3.64Å; F52-Y70 HydrophobicContact CE1-CE1 3.64Å; F52-Y70 AromaticContact CE1-CE2 3.99Å; F52-Y70 HydrophobicContact CE1-CE2 3.99Å; F52-Y70 AromaticContact CE1-CG 3.84Å; F52-Y70 HydrophobicContact CE1-CG 3.84Å; F52-Y70 AromaticContact CE1-CZ 3.81Å; F52-Y70 HydrophobicContact CZ-CD1 4.47Å; F52-Y70 HydrophobicContact CZ-CE1 4.17Å; L53-Y70 HydrophobicContact CD1-CD2 4.22Å; L53-Y70 HydrophobicContact CD1-CE2 3.62Å; T62-Y70 CarbonylContact C-O 3.51Å; T62-Y70 WeakPolarHBondContact CA-O 3.04Å; I63-Y70 HydrophobicContact CG1-CD2 4.35Å; I63-Y70 PolarHBondContact N-O 2.94Å; I63-Y70 PolarHBondContact O-N 3.27Å; D65-Y70 HydrophobicContact CB-CE2 4.24Å; D65-Y70 WeakPolarHBondContact OD2-CE2 3.32Å; D65-Y70 VanDerWaalsContact OD2-CZ 3.31Å; D65-Y70 PolarHBondContact OD2-OH 2.76Å; V68-Y70 HydrophobicContact CB-CE1 4.25Å; V68-Y70 HydrophobicContact CB-CE2 3.92Å; V68-Y70 WeakPolarHBondContact CB-OH 3.47Å; V68-Y70 HydrophobicContact CG1-CD1 4.15Å; V68-Y70 HydrophobicContact CG1-CE1 3.58Å; V68-Y70 HydrophobicContact CG1-CE2 4.02Å; Y70-V82 HydrophobicContact CD1-CG1 4.17Å; Y70-V82 HydrophobicContact CG-CG1 4.38Å; Y70-V84 HydrophobicContact CD1-CG2 4.01Å; Y70-V84 HydrophobicContact CE1-CG2 3.91Å; Y70-Y242 WeakPolarHBondContact OH-CE1 3.35Å; Y70-L244 HydrophobicContact CE1-CD2 3.52Å; Y70-L244 VanDerWaalsContact OH-CD2 3.23Å; Y70-L244 WeakPolarHBondContact OH-CD2 3.43Å
71	M	96.1	Very high	94.3	Very high	53 Å²	53	49.5 Å²	49.5	26%	0.261	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	134.6	175.3	-170.3	159.8	68.6	0	0	111.2	T61 T62 N73 S83 T85	T61-M71 WeakPolarHBondContact O-CA 3.39Å; T62-M71 HydrophobicContact CG2-CB 3.91Å; T62-M71 HydrophobicContact CG2-CG 4.14Å; T62-M71 HydrophobicContact CG2-SD 4.28Å; M71-N73 VanDerWaalsContact CE-ND2 3.33Å; M71-N73 WeakPolarHBondContact CE-ND2 3.29Å; M71-S83 PolarHBondContact N-O 2.71Å; M71-S83 PolarHBondContact O-N 2.92Å; M71-S83 PolarHBondContact O-OG 2.77Å; M71-T85 HydrophobicContact CB-CG2 3.55Å; M71-T85 HydrophobicContact CE-CG2 3.7Å; M71-T85 HydrophobicContact CG-CG2 4.44Å; M71-T85 HydrophobicContact SD-CG2 4.13Å
72	C	97.3	Very high	94.1	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	112.1	174.4	-177.4	0	0	0	0	110.1	G49 C50 F57 Y59 N60 T61	G49-C72 VanDerWaalsContact C-SG 3.6Å; C50-C72 HydrophobicContact CB-CB 3.69Å; C50-C72 WeakPolarHBondContact CB-SG 3.03Å; C50-C72 PolarHBondContact N-SG 2.8Å; C50-C72 VanDerWaalsContact SG-CA 3.55Å; C50-C72 WeakPolarHBondContact SG-CB 3.49Å; C50-C72 CovalentContact SG-SG 2.03Å; C50-C72 PolarHBondContact SG-SG 2.84Å; F57-C72 HydrophobicContact CD2-CB 3.82Å; F57-C72 HydrophobicContact CE1-CB 4.43Å; F57-C72 HydrophobicContact CE2-CB 3.5Å; F57-C72 HydrophobicContact CG-CB 4.46Å; F57-C72 HydrophobicContact CZ-CB 3.83Å; Y59-C72 WeakPolarHBondContact CD1-SG 3.48Å; N60-C72 PolarHBondContact N-O 2.88Å; T61-C72 PolarHBondContact O-N 3Å
73	N	95.6	Very high	94.1	Very high	31 Å²	31	45.4 Å²	45.4	17%	0.166	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	156.2	-175.7	-72.3	-56.7	0	0	0	112.2	M71 T80 I81 S83	M71-N73 VanDerWaalsContact CE-ND2 3.33Å; M71-N73 WeakPolarHBondContact CE-ND2 3.29Å; N73-T80 WeakPolarHBondContact O-CA 3.43Å; N73-I81 HydrophobicContact CB-CG1 3.96Å; N73-I81 PolarHBondContact N-O 2.85Å; N73-I81 PolarHBondContact O-N 2.93Å; N73-S83 PolarHBondContact ND2-OG 2.84Å
74	V	93.7	Very high	94.1	Very high	60 Å²	60	45.2 Å²	45.2	36%	0.364	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	127.1	168	-172.9	0	0	0	0	108.5	Y59 K79	Y59-V74 HydrophobicContact CD1-CG2 3.38Å; Y59-V74 HydrophobicContact CD2-CG2 4.07Å; Y59-V74 HydrophobicContact CE1-CG2 3.36Å; Y59-V74 HydrophobicContact CE2-CG2 4.02Å; Y59-V74 HydrophobicContact CG-CG2 3.77Å; V74-K79 CarbonylContact C-O 3.53Å; V74-K79 WeakPolarHBondContact CA-O 3.18Å
75	T	93.5	Very high	94.1	Very high	43 Å²	43	42.1 Å²	42.1	26%	0.264	26%	0.26	S	S	.	.			trans	-72.5	164.4	174.3	65.4	0	0	0	0	111.3	T77 N78 K79 I81	T75-T77 PolarHBondContact O-N 3.46Å; T75-T77 VanDerWaalsContact O-N 3.08Å; T75-T77 PolarHBondContact OG1-N 3.07Å; T75-T77 PolarHBondContact OG1-OG1 2.78Å; T75-N78 PolarHBondContact O-N 2.88Å; T75-K79 HydrophobicContact CG2-CB 4.27Å; T75-K79 PolarHBondContact N-O 3.35Å; T75-K79 WeakPolarHBondContact OG1-CB 3.3Å; T75-K79 PolarHBondContact OG1-N 3.14Å; T75-K79 PolarHBondContact OG1-O 2.94Å; T75-I81 HydrophobicContact CG2-CD1 3.93Å; T75-I81 HydrophobicContact CG2-CG1 4.27Å; T75-I81 HydrophobicContact CG2-CG2 4.12Å
76	A	94.1	Very high	94.3	Very high	118 Å²	118	40 Å²	40	98%	0.975	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	-23.5	168.5	0	0	0	0	0	113.3	N78	A76-N78 VanDerWaalsContact C-N 3.3Å; A76-N78 PolarHBondContact O-N 2.82Å
77	T	94.7	Very high	94.5	Very high	100 Å²	100	38.3 Å²	38.3	61%	0.613	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.5	15.8	174.3	52.3	0	0	0	0	114	T75 K79	T75-T77 PolarHBondContact O-N 3.46Å; T75-T77 VanDerWaalsContact O-N 3.08Å; T75-T77 PolarHBondContact OG1-N 3.07Å; T75-T77 PolarHBondContact OG1-OG1 2.78Å; T77-K79 PolarHBondContact O-N 2.88Å
78	N	91.1	Very high	94.6	Very high	102 Å²	102	38.1 Å²	38.1	55%	0.545	23%	0.227	S	C	.	.	S	Bend	trans	56.6	27.6	-178.9	-165.1	9	0	0	0	114.2	K47 T75 A76	K47-N78 PolarHBondContact NZ-O 2.83Å; T75-N78 PolarHBondContact O-N 2.88Å; A76-N78 VanDerWaalsContact C-N 3.3Å; A76-N78 PolarHBondContact O-N 2.82Å
79	K	92.8	Very high	94.5	Very high	68 Å²	68	38.9 Å²	38.9	30%	0.296	23%	0.231	S	C	.	.			trans	-92.7	135.7	173.5	-65	-176.8	166.3	-177.2	0	110	V74 T75 T77 E252	V74-K79 CarbonylContact C-O 3.53Å; V74-K79 WeakPolarHBondContact CA-O 3.18Å; T75-K79 HydrophobicContact CG2-CB 4.27Å; T75-K79 PolarHBondContact N-O 3.35Å; T75-K79 WeakPolarHBondContact OG1-CB 3.3Å; T75-K79 PolarHBondContact OG1-N 3.14Å; T75-K79 PolarHBondContact OG1-O 2.94Å; T77-K79 PolarHBondContact O-N 2.88Å; K79-E252 IonicContact NZ-OE1 2.69Å; K79-E252 PolarHBondContact NZ-OE1 3.34Å; K79-E252 IonicContact NZ-OE2 3.47Å; K79-E252 PolarHBondContact NZ-OE2 2.04Å
80	T	92.9	Very high	94.2	Very high	27 Å²	27	42.3 Å²	42.3	17%	0.166	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	125.7	174.5	-62.3	0	0	0	0	109.4	I36 C50 Y59 N73	I36-T80 HydrophobicContact CG1-CG2 4.12Å; C50-T80 WeakPolarHBondContact SG-CG2 3.28Å; Y59-T80 HydrophobicContact CE1-CG2 3.81Å; Y59-T80 PolarHBondContact OH-OG1 2.82Å; N73-T80 WeakPolarHBondContact O-CA 3.43Å
81	I	93.4	Very high	93.9	Very high	64 Å²	64	45.6 Å²	45.6	33%	0.328	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	139	175.2	62.7	174.2	0	0	0	109.9	N73 T75	N73-I81 HydrophobicContact CB-CG1 3.96Å; N73-I81 PolarHBondContact N-O 2.85Å; N73-I81 PolarHBondContact O-N 2.93Å; T75-I81 HydrophobicContact CG2-CD1 3.93Å; T75-I81 HydrophobicContact CG2-CG1 4.27Å; T75-I81 HydrophobicContact CG2-CG2 4.12Å
82	V	94.3	Very high	93.7	Very high	10 Å²	10	48.2 Å²	48.2	6%	0.061	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	125.3	163	178.3	0	0	0	0	106.6	C50 F52 F57 Y70 H249	C50-V82 HydrophobicContact CB-CG2 3.82Å; F52-V82 HydrophobicContact CB-CG2 4.14Å; F52-V82 HydrophobicContact CD1-CG1 3.85Å; F52-V82 HydrophobicContact CE1-CG1 4.14Å; F52-V82 HydrophobicContact CG-CG1 4.17Å; F52-V82 HydrophobicContact CG-CG2 4.31Å; F57-V82 HydrophobicContact CE1-CG2 4.46Å; F57-V82 HydrophobicContact CZ-CG1 4.25Å; F57-V82 HydrophobicContact CZ-CG2 4.18Å; Y70-V82 HydrophobicContact CD1-CG1 4.17Å; Y70-V82 HydrophobicContact CG-CG1 4.38Å; V82-H249 PolarHBondContact O-CE1 3.18Å
83	S	94.3	Very high	93.6	Very high	27 Å²	27	53.1 Å²	53.1	19%	0.189	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	134.3	179.7	58	0	0	0	0	110.7	M71 N73 T85	M71-S83 PolarHBondContact N-O 2.71Å; M71-S83 PolarHBondContact O-N 2.92Å; M71-S83 PolarHBondContact O-OG 2.77Å; N73-S83 PolarHBondContact ND2-OG 2.84Å; S83-T85 PolarHBondContact O-N 2.88Å
84	V	95.3	Very high	93.6	Very high	17 Å²	17	51.9 Å²	51.9	10%	0.103	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	133.2	169	177.4	0	0	0	0	109.6	V68 E69 Y70 L96 V116 L244	V68-V84 HydrophobicContact CG1-CB 4.39Å; V68-V84 HydrophobicContact CG1-CG1 3.7Å; V68-V84 HydrophobicContact CG1-CG2 3.95Å; E69-V84 WeakPolarHBondContact O-CA 3.42Å; Y70-V84 HydrophobicContact CD1-CG2 4.01Å; Y70-V84 HydrophobicContact CE1-CG2 3.91Å; V84-L96 HydrophobicContact CB-CD1 4.32Å; V84-L96 HydrophobicContact CG1-CD1 4.13Å; V84-L96 HydrophobicContact CG1-CD2 4.23Å; V84-L96 HydrophobicContact CG1-CG 4.29Å; V84-L96 VanDerWaalsContact O-CD1 3.29Å; V84-L96 WeakPolarHBondContact O-CD1 3.48Å; V84-V116 HydrophobicContact CB-CG2 4.33Å; V84-V116 HydrophobicContact CG1-CG1 4.48Å; V84-V116 HydrophobicContact CG1-CG2 3.93Å; V84-V116 HydrophobicContact CG2-CG2 3.64Å; V84-L244 HydrophobicContact CG2-CD1 3.85Å; V84-L244 HydrophobicContact CG2-CD2 4.25Å
85	T	95.7	Very high	93.7	Very high	25 Å²	25	52.1 Å²	52.1	15%	0.153	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	-36.1	176.1	40.4	0	0	0	0	112.4	E69 M71 S83 L96	E69-T85 WeakPolarHBondContact CG-OG1 3.34Å; E69-T85 PolarHBondContact O-N 3.42Å; E69-T85 PolarHBondContact O-OG1 3.22Å; E69-T85 VanDerWaalsContact OE1-CB 3.3Å; E69-T85 WeakPolarHBondContact OE1-CB 3.13Å; E69-T85 PolarHBondContact OE1-OG1 3.32Å; M71-T85 HydrophobicContact CB-CG2 3.55Å; M71-T85 HydrophobicContact CE-CG2 3.7Å; M71-T85 HydrophobicContact CG-CG2 4.44Å; M71-T85 HydrophobicContact SD-CG2 4.13Å; S83-T85 PolarHBondContact O-N 2.88Å; T85-L96 PolarHBondContact O-N 2.98Å
86	A	96.3	Very high	93.8	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	162.1	-179.5	0	0	0	0	0	112.6	E69 R93 L94	E69-A86 HydrophobicContact CB-CB 4Å; E69-A86 PolarHBondContact N-O 3.41Å; A86-R93 HydrophobicContact CB-CG 3.55Å; A86-L94 CarbonylContact C-O 3.49Å; A86-L94 WeakPolarHBondContact CA-O 3.44Å; A86-L94 VanDerWaalsContact CB-O 3.25Å; A86-L94 WeakPolarHBondContact CB-O 3.39Å
87	C	95.3	Very high	93.9	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	153.1	163.3	-55.1	0	0	0	0	109.4	L94 C109 V116 H118	C87-L94 PolarHBondContact N-O 2.83Å; C87-L94 PolarHBondContact O-N 3.11Å; C87-C109 HydrophobicContact CB-CB 3.69Å; C87-C109 WeakPolarHBondContact CB-SG 3.44Å; C87-C109 PolarHBondContact N-SG 3.21Å; C87-C109 WeakPolarHBondContact SG-CA 3.34Å; C87-C109 WeakPolarHBondContact SG-CB 3.22Å; C87-C109 CovalentContact SG-SG 2.03Å; C87-C109 PolarHBondContact SG-SG 3.2Å; C87-V116 WeakPolarHBondContact SG-CG1 3.04Å; C87-H118 VanDerWaalsContact CB-NE2 3.31Å; C87-H118 WeakPolarHBondContact CB-NE2 3.38Å
88	L	94.1	Very high	93.9	Very high	29 Å²	29	53.5 Å²	53.5	15%	0.152	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	110.9	175.2	-59.2	-176.6	0	0	0	110.5	N64 S67 F92 R93	N64-L88 HydrophobicContact CB-CD1 3.64Å; S67-L88 PolarHBondContact O-N 3.47Å; L88-F92 WeakPolarHBondContact CA-O 3.49Å; L88-R93 HydrophobicContact CD2-CB 4.11Å; L88-R93 HydrophobicContact CD2-CG 4.32Å
89	L	92	Very high	93.9	Very high	18 Å²	18	49.7 Å²	49.7	9%	0.094	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	85.6	-175.5	-172.8	53.4	0	0	0	111.5	F92 L94 K102 Y107	L89-F92 PolarHBondContact N-O 3.1Å; L89-F92 PolarHBondContact O-N 3.41Å; L89-L94 HydrophobicContact CB-CD1 3.53Å; L89-L94 HydrophobicContact CD2-CD1 4.23Å; L89-K102 HydrophobicContact CD1-CD 4.46Å; L89-K102 HydrophobicContact CD2-CD 3.9Å; L89-K102 HydrophobicContact CG-CD 3.88Å; L89-Y107 HydrophobicContact CD2-CD1 3.93Å; L89-Y107 HydrophobicContact CD2-CD2 4.03Å; L89-Y107 HydrophobicContact CD2-CG 3.59Å
90	S	89	Confident	94	Very high	94 Å²	94	49.6 Å²	49.6	66%	0.657	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	50.9	-172.8	-54.1	0	0	0	0	112.6	F92 K102	S90-F92 VanDerWaalsContact C-N 3.29Å; S90-F92 PolarHBondContact O-N 2.92Å; S90-K102 PolarHBondContact OG-NZ 3.25Å
91	G	90.3	Very high	94.1	Very high	72 Å²	72	49.5 Å²	49.5	74%	0.742	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.1	-15.1	179.3	0	0	0	0	0	115.3
92	F	92.6	Very high	94	Very high	108 Å²	108	49.6 Å²	49.6	47%	0.474	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	127.6	173.9	-67	-84.6	0	0	0	111.3	L88 L89 S90 L94 F100	L88-F92 WeakPolarHBondContact CA-O 3.49Å; L89-F92 PolarHBondContact N-O 3.1Å; L89-F92 PolarHBondContact O-N 3.41Å; S90-F92 VanDerWaalsContact C-N 3.29Å; S90-F92 PolarHBondContact O-N 2.92Å; F92-L94 HydrophobicContact CB-CD1 4.45Å; F92-F100 HydrophobicContact CB-CD1 4.38Å; F92-F100 HydrophobicContact CB-CE1 4.24Å; F92-F100 AromaticContact CD1-CE1 3.76Å; F92-F100 HydrophobicContact CD1-CE1 3.76Å; F92-F100 AromaticContact CD1-CE2 3.94Å; F92-F100 HydrophobicContact CD1-CE2 3.94Å; F92-F100 AromaticContact CD1-CZ 3.4Å; F92-F100 HydrophobicContact CD1-CZ 3.4Å; F92-F100 AromaticContact CD2-CE1 3.93Å; F92-F100 HydrophobicContact CD2-CE1 3.93Å; F92-F100 HydrophobicContact CD2-CZ 4.34Å; F92-F100 HydrophobicContact CE1-CE1 4.06Å; F92-F100 HydrophobicContact CE1-CE2 4.22Å; F92-F100 AromaticContact CE1-CZ 3.47Å; F92-F100 HydrophobicContact CE1-CZ 3.47Å; F92-F100 VanDerWaalsContact CE1-CZ 3.47Å; F92-F100 HydrophobicContact CE2-CE1 4.22Å; F92-F100 HydrophobicContact CE2-CZ 4.39Å; F92-F100 HydrophobicContact CG-CD1 4.31Å; F92-F100 AromaticContact CG-CE1 3.69Å; F92-F100 HydrophobicContact CG-CE1 3.69Å; F92-F100 AromaticContact CG-CZ 3.86Å; F92-F100 HydrophobicContact CG-CZ 3.86Å; F92-F100 HydrophobicContact CZ-CE1 4.28Å; F92-F100 AromaticContact CZ-CZ 3.99Å; F92-F100 HydrophobicContact CZ-CZ 3.99Å
93	R	94.9	Very high	93.8	Very high	103 Å²	103	52.3 Å²	52.3	39%	0.389	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	112.4	176.2	-177.5	-174.6	179.8	-90	-7.1	110.7	E69 A86 L88 E95	E69-R93 VanDerWaalsContact CD-NE 3.27Å; E69-R93 IonicContact OE1-CZ 2.72Å; E69-R93 IonicContact OE1-NE 3.55Å; E69-R93 PolarHBondContact OE1-NE 3.29Å; E69-R93 IonicContact OE1-NH2 3.1Å; E69-R93 PolarHBondContact OE1-NH2 3.44Å; E69-R93 WeakPolarHBondContact OE2-CD 3.34Å; E69-R93 IonicContact OE2-CZ 3.9Å; E69-R93 IonicContact OE2-NE 2.73Å; E69-R93 PolarHBondContact OE2-NE 2.89Å; E69-R93 IonicContact OE2-NH2 2.69Å; A86-R93 HydrophobicContact CB-CG 3.55Å; L88-R93 HydrophobicContact CD2-CB 4.11Å; L88-R93 HydrophobicContact CD2-CG 4.32Å; R93-E95 IonicContact CZ-OE1 3.35Å; R93-E95 VanDerWaalsContact NH1-CG 3.29Å; R93-E95 IonicContact NH1-OE1 2.67Å; R93-E95 PolarHBondContact NH1-OE1 2.03Å; R93-E95 IonicContact NH2-OE1 2.71Å
94	L	95.3	Very high	93.7	Very high	5 Å²	5	53.9 Å²	53.9	3%	0.026	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	110.9	172.9	-71.3	88.3	0	0	0	110	A86 C87 L89 F92 F100 Y107 C109	A86-L94 CarbonylContact C-O 3.49Å; A86-L94 WeakPolarHBondContact CA-O 3.44Å; A86-L94 VanDerWaalsContact CB-O 3.25Å; A86-L94 WeakPolarHBondContact CB-O 3.39Å; C87-L94 PolarHBondContact N-O 2.83Å; C87-L94 PolarHBondContact O-N 3.11Å; L89-L94 HydrophobicContact CB-CD1 3.53Å; L89-L94 HydrophobicContact CD2-CD1 4.23Å; F92-L94 HydrophobicContact CB-CD1 4.45Å; L94-F100 HydrophobicContact CD1-CB 4.33Å; L94-F100 HydrophobicContact CD2-CB 3.84Å; L94-F100 HydrophobicContact CG-CB 3.96Å; L94-Y107 WeakPolarHBondContact CD2-O 3.45Å; L94-C109 HydrophobicContact CB-CB 3.81Å; L94-C109 WeakPolarHBondContact O-CB 3.38Å; L94-C109 PolarHBondContact O-SG 3.18Å
95	E	96.4	Very high	93.6	Very high	65 Å²	65	53.8 Å²	53.8	30%	0.304	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	150.2	170.5	-65.7	-177.8	177.6	0	0	111.7	R93 G97 R98	R93-E95 IonicContact CZ-OE1 3.35Å; R93-E95 VanDerWaalsContact NH1-CG 3.29Å; R93-E95 IonicContact NH1-OE1 2.67Å; R93-E95 PolarHBondContact NH1-OE1 2.03Å; R93-E95 IonicContact NH2-OE1 2.71Å; E95-G97 PolarHBondContact O-N 2.92Å; E95-R98 HydrophobicContact CB-CB 4.35Å; E95-R98 HydrophobicContact CB-CG 3.98Å; E95-R98 WeakPolarHBondContact O-CB 3.36Å; E95-R98 PolarHBondContact O-N 2.95Å; E95-R98 IonicContact OE1-NH2 3.56Å; E95-R98 IonicContact OE2-CZ 2.78Å; E95-R98 IonicContact OE2-NE 2.68Å; E95-R98 PolarHBondContact OE2-NE 3.2Å; E95-R98 IonicContact OE2-NH2 2.75Å; E95-R98 PolarHBondContact OE2-NH2 3Å
96	L	95.5	Very high	93.6	Very high	69 Å²	69	55.1 Å²	55.1	36%	0.361	32%	0.319	S	S	.	.	B	Isolated β-bridge	trans	-51	127.3	177.1	-73.9	167.8	0	0	0	111.5	V84 T85 R98 L111	V84-L96 HydrophobicContact CB-CD1 4.32Å; V84-L96 HydrophobicContact CG1-CD1 4.13Å; V84-L96 HydrophobicContact CG1-CD2 4.23Å; V84-L96 HydrophobicContact CG1-CG 4.29Å; V84-L96 VanDerWaalsContact O-CD1 3.29Å; V84-L96 WeakPolarHBondContact O-CD1 3.48Å; T85-L96 PolarHBondContact O-N 2.98Å; L96-R98 PolarHBondContact O-N 2.82Å; L96-L111 HydrophobicContact CD2-CB 3.99Å
97	G	94.8	Very high	93.5	Very high	65 Å²	65	56.9 Å²	56.9	67%	0.67	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.3	-15.5	-177.1	0	0	0	0	0	115.6	E95 C109	E95-G97 PolarHBondContact O-N 2.92Å; G97-C109 PolarHBondContact N-O 3Å
98	R	95	Very high	93.5	Very high	156 Å²	156	57.7 Å²	57.7	59%	0.589	33%	0.331	S	S	*	.			trans	-79.2	157.4	169.9	-62.1	-161.8	-159.2	-144.4	12.2	110.9	E95 L96 T108 C109	E95-R98 HydrophobicContact CB-CB 4.35Å; E95-R98 HydrophobicContact CB-CG 3.98Å; E95-R98 WeakPolarHBondContact O-CB 3.36Å; E95-R98 PolarHBondContact O-N 2.95Å; E95-R98 IonicContact OE1-NH2 3.56Å; E95-R98 IonicContact OE2-CZ 2.78Å; E95-R98 IonicContact OE2-NE 2.68Å; E95-R98 PolarHBondContact OE2-NE 3.2Å; E95-R98 IonicContact OE2-NH2 2.75Å; E95-R98 PolarHBondContact OE2-NH2 3Å; L96-R98 PolarHBondContact O-N 2.82Å; R98-T108 VanDerWaalsContact O-CA 3.29Å; R98-T108 WeakPolarHBondContact O-CA 3.38Å; R98-C109 PolarHBondContact O-N 2.72Å
99	G	92.7	Very high	93.6	Very high	22 Å²	22	56.4 Å²	56.4	23%	0.227	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	165.6	175.2	0	0	0	0	0	114.6	Y106 Y107	G99-Y106 VanDerWaalsContact C-CZ 3.49Å; G99-Y106 PolarHBondContact O-OH 2.57Å; G99-Y107 CarbonylContact C-O 3.53Å; G99-Y107 WeakPolarHBondContact CA-O 3.39Å
100	F	93.6	Very high	93.7	Very high	66 Å²	66	56.5 Å²	56.5	29%	0.289	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	133.1	-177.6	-175	-105	0	0	0	110	F92 L94 K102 Y107	F92-F100 HydrophobicContact CB-CD1 4.38Å; F92-F100 HydrophobicContact CB-CE1 4.24Å; F92-F100 AromaticContact CD1-CE1 3.76Å; F92-F100 HydrophobicContact CD1-CE1 3.76Å; F92-F100 AromaticContact CD1-CE2 3.94Å; F92-F100 HydrophobicContact CD1-CE2 3.94Å; F92-F100 AromaticContact CD1-CZ 3.4Å; F92-F100 HydrophobicContact CD1-CZ 3.4Å; F92-F100 AromaticContact CD2-CE1 3.93Å; F92-F100 HydrophobicContact CD2-CE1 3.93Å; F92-F100 HydrophobicContact CD2-CZ 4.34Å; F92-F100 HydrophobicContact CE1-CE1 4.06Å; F92-F100 HydrophobicContact CE1-CE2 4.22Å; F92-F100 AromaticContact CE1-CZ 3.47Å; F92-F100 HydrophobicContact CE1-CZ 3.47Å; F92-F100 VanDerWaalsContact CE1-CZ 3.47Å; F92-F100 HydrophobicContact CE2-CE1 4.22Å; F92-F100 HydrophobicContact CE2-CZ 4.39Å; F92-F100 HydrophobicContact CG-CD1 4.31Å; F92-F100 AromaticContact CG-CE1 3.69Å; F92-F100 HydrophobicContact CG-CE1 3.69Å; F92-F100 AromaticContact CG-CZ 3.86Å; F92-F100 HydrophobicContact CG-CZ 3.86Å; F92-F100 HydrophobicContact CZ-CE1 4.28Å; F92-F100 AromaticContact CZ-CZ 3.99Å; F92-F100 HydrophobicContact CZ-CZ 3.99Å; L94-F100 HydrophobicContact CD1-CB 4.33Å; L94-F100 HydrophobicContact CD2-CB 3.84Å; L94-F100 HydrophobicContact CG-CB 3.96Å; F100-K102 HydrophobicContact CD1-CB 4.46Å; F100-Y107 PolarHBondContact N-O 2.88Å; F100-Y107 PolarHBondContact O-N 3.05Å
101	P	94.3	Very high	93.8	Very high	25 Å²	25	55.9 Å²	55.9	16%	0.162	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	133.5	173.4	31.3	-32.8	0	0	0	110.2	Y106 A124 D128	P101-Y106 HydrophobicContact CB-CD2 4.19Å; P101-A124 HydrophobicContact CB-CB 3.86Å; P101-D128 HydrophobicContact CB-CB 4.44Å; P101-D128 WeakPolarHBondContact CB-OD1 3.4Å; P101-D128 HydrophobicContact CG-CB 3.99Å; P101-D128 WeakPolarHBondContact CG-OD1 3.12Å
102	K	91.7	Very high	93.9	Very high	65 Å²	65	58 Å²	58	28%	0.283	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	101.5	178.2	-174.9	-179.1	-178.9	178.1	0	110.2	L89 S90 F100 F105 Y107	L89-K102 HydrophobicContact CD1-CD 4.46Å; L89-K102 HydrophobicContact CD2-CD 3.9Å; L89-K102 HydrophobicContact CG-CD 3.88Å; S90-K102 PolarHBondContact OG-NZ 3.25Å; F100-K102 HydrophobicContact CD1-CB 4.46Å; K102-F105 PolarHBondContact N-O 2.95Å; K102-Y107 HydrophobicContact CB-CD2 3.77Å; K102-Y107 HydrophobicContact CB-CE2 3.82Å; K102-Y107 HydrophobicContact CD-CE2 4.37Å; K102-Y107 HydrophobicContact CG-CE2 4.44Å
103	G	90.7	Very high	93.7	Very high	67 Å²	67	58.1 Å²	58.1	69%	0.691	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.5	-141.3	-162.8	0	0	0	0	0	109.4	F105	G103-F105 PolarHBondContact O-N 3.48Å; G103-F105 VanDerWaalsContact O-N 3.12Å
104	N	91.3	Very high	93.1	Very high	60 Å²	60	57.2 Å²	57.2	32%	0.321	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	12.1	-175.6	-43.2	-93	0	0	0	114.8	C123 A124 I156 R229	N104-C123 WeakPolarHBondContact O-CA 3Å; N104-C123 WeakPolarHBondContact O-CB 3.19Å; N104-A124 PolarHBondContact O-N 3.37Å; N104-I156 HydrophobicContact CB-CD1 3.29Å; N104-I156 WeakPolarHBondContact O-CD1 3.45Å; N104-R229 PolarHBondContact OD1-NH2 2.81Å
105	F	94.1	Very high	92.7	Very high	16 Å²	16	58.7 Å²	58.7	7%	0.07	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	142.1	-172.2	-58.3	-71.6	0	0	0	112.4	K102 G103 Y107 I120 V154 I156 I236	K102-F105 PolarHBondContact N-O 2.95Å; G103-F105 PolarHBondContact O-N 3.48Å; G103-F105 VanDerWaalsContact O-N 3.12Å; F105-Y107 HydrophobicContact CB-CD2 4.29Å; F105-Y107 HydrophobicContact CB-CE2 3.73Å; F105-I120 HydrophobicContact CB-CD1 4.03Å; F105-I120 HydrophobicContact CB-CG1 4.24Å; F105-I120 HydrophobicContact CB-CG2 4.03Å; F105-I120 HydrophobicContact CD1-CD1 4.23Å; F105-I120 HydrophobicContact CD1-CG2 4.03Å; F105-I120 HydrophobicContact CG-CD1 3.99Å; F105-I120 HydrophobicContact CG-CG2 4.38Å; F105-V154 HydrophobicContact CD1-CG1 3.98Å; F105-V154 HydrophobicContact CE1-CG1 3.81Å; F105-I156 HydrophobicContact CD1-CD1 4.39Å; F105-I156 HydrophobicContact CE1-CD1 3.7Å; F105-I156 HydrophobicContact CE1-CG1 3.91Å; F105-I156 HydrophobicContact CZ-CD1 3.83Å; F105-I156 HydrophobicContact CZ-CG1 4.21Å; F105-I236 HydrophobicContact CD2-CD1 4.22Å; F105-I236 HydrophobicContact CE2-CD1 3.32Å; F105-I236 HydrophobicContact CZ-CD1 3.71Å
106	Y	94.9	Very high	92.5	Very high	52 Å²	52	55.7 Å²	55.7	20%	0.204	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	113.7	174.9	-161.4	-102.7	0	0	0	109.1	G99 P101 T108 I120 T121 S122 V130	G99-Y106 VanDerWaalsContact C-CZ 3.49Å; G99-Y106 PolarHBondContact O-OH 2.57Å; P101-Y106 HydrophobicContact CB-CD2 4.19Å; Y106-T108 HydrophobicContact CD1-CG2 4.42Å; Y106-T108 HydrophobicContact CE1-CG2 4.27Å; Y106-I120 WeakPolarHBondContact O-CA 3.38Å; Y106-T121 PolarHBondContact O-N 2.91Å; Y106-S122 WeakPolarHBondContact CB-OG 3.13Å; Y106-S122 PolarHBondContact N-O 3.48Å; Y106-V130 HydrophobicContact CD1-CG1 4.38Å; Y106-V130 HydrophobicContact CD1-CG2 4.46Å; Y106-V130 HydrophobicContact CD2-CG2 3.95Å; Y106-V130 HydrophobicContact CE1-CG2 4.24Å; Y106-V130 HydrophobicContact CE2-CG2 3.72Å; Y106-V130 HydrophobicContact CG-CG2 4.32Å
107	Y	95	Very high	92.2	Very high	37 Å²	37	53.9 Å²	53.9	15%	0.145	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	137.2	-179.6	-68.4	-97.9	0	0	0	109.6	L89 L94 G99 F100 K102 F105 H118 R119 I120	L89-Y107 HydrophobicContact CD2-CD1 3.93Å; L89-Y107 HydrophobicContact CD2-CD2 4.03Å; L89-Y107 HydrophobicContact CD2-CG 3.59Å; L94-Y107 WeakPolarHBondContact CD2-O 3.45Å; G99-Y107 CarbonylContact C-O 3.53Å; G99-Y107 WeakPolarHBondContact CA-O 3.39Å; F100-Y107 PolarHBondContact N-O 2.88Å; F100-Y107 PolarHBondContact O-N 3.05Å; K102-Y107 HydrophobicContact CB-CD2 3.77Å; K102-Y107 HydrophobicContact CB-CE2 3.82Å; K102-Y107 HydrophobicContact CD-CE2 4.37Å; K102-Y107 HydrophobicContact CG-CE2 4.44Å; F105-Y107 HydrophobicContact CB-CD2 4.29Å; F105-Y107 HydrophobicContact CB-CE2 3.73Å; Y107-H118 HydrophobicContact CD1-CB 4.33Å; Y107-R119 CarbonylContact C-O 3.57Å; Y107-R119 WeakPolarHBondContact CA-O 3.21Å; Y107-I120 HydrophobicContact CD1-CG1 3.7Å; Y107-I120 HydrophobicContact CE1-CD1 3.84Å; Y107-I120 HydrophobicContact CE1-CG1 3.4Å; Y107-I120 VanDerWaalsContact CE1-CG1 3.4Å; Y107-I120 HydrophobicContact CE2-CG1 4.36Å; Y107-I120 HydrophobicContact CG-CG1 4.3Å
108	T	95.4	Very high	92.1	Very high	18 Å²	18	51.6 Å²	51.6	11%	0.11	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	145.7	170.1	49.3	0	0	0	0	111.1	R98 Y106 R119 T121	R98-T108 VanDerWaalsContact O-CA 3.29Å; R98-T108 WeakPolarHBondContact O-CA 3.38Å; Y106-T108 HydrophobicContact CD1-CG2 4.42Å; Y106-T108 HydrophobicContact CE1-CG2 4.27Å; T108-R119 PolarHBondContact N-O 3.14Å; T108-R119 PolarHBondContact O-N 3.18Å; T108-R119 PolarHBondContact OG1-O 2.75Å; T108-T121 HydrophobicContact CG2-CG2 4.17Å; T108-T121 VanDerWaalsContact CG2-OG1 3.23Å; T108-T121 WeakPolarHBondContact CG2-OG1 3.46Å; T108-T121 WeakPolarHBondContact OG1-CG2 3.5Å; T108-T121 PolarHBondContact OG1-OG1 3.5Å
109	C	95.8	Very high	91.9	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.007	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	123.2	170.1	-177.4	0	0	0	0	110.3	C87 L94 G97 R98	C87-C109 HydrophobicContact CB-CB 3.69Å; C87-C109 WeakPolarHBondContact CB-SG 3.44Å; C87-C109 PolarHBondContact N-SG 3.21Å; C87-C109 WeakPolarHBondContact SG-CA 3.34Å; C87-C109 WeakPolarHBondContact SG-CB 3.22Å; C87-C109 CovalentContact SG-SG 2.03Å; C87-C109 PolarHBondContact SG-SG 3.2Å; L94-C109 HydrophobicContact CB-CB 3.81Å; L94-C109 WeakPolarHBondContact O-CB 3.38Å; L94-C109 PolarHBondContact O-SG 3.18Å; G97-C109 PolarHBondContact N-O 3Å; R98-C109 PolarHBondContact O-N 2.72Å
110	A	93.6	Very high	92	Very high	20 Å²	20	46.6 Å²	46.6	17%	0.165	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	154.5	-177.2	0	0	0	0	0	112.2	V116 Y117	A110-V116 WeakPolarHBondContact O-CA 3.02Å; A110-Y117 HydrophobicContact CB-CD1 4.05Å; A110-Y117 HydrophobicContact CB-CD2 4.34Å; A110-Y117 HydrophobicContact CB-CE1 3.63Å; A110-Y117 HydrophobicContact CB-CE2 3.99Å; A110-Y117 HydrophobicContact CB-CG 4.38Å; A110-Y117 PolarHBondContact N-O 3.18Å; A110-Y117 WeakPolarHBondContact O-CD1 3.38Å; A110-Y117 PolarHBondContact O-N 2.87Å
111	L	92.7	Very high	92.1	Very high	82 Å²	82	45.6 Å²	45.6	43%	0.429	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	124.1	177.7	179.5	71.1	0	0	0	108.7	L96 T115 V116	L96-L111 HydrophobicContact CD2-CB 3.99Å; L111-T115 WeakPolarHBondContact CA-O 2.98Å; L111-V116 HydrophobicContact CD1-CG2 3.8Å
112	K	91.1	Very high	92.2	Very high	115 Å²	115	44.6 Å²	44.6	50%	0.5	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	127.2	175.6	-179.5	177.3	-179.3	177.7	0	108.5	M114 T115 Y117	K112-M114 VanDerWaalsContact C-N 3.27Å; K112-M114 PolarHBondContact O-N 2.93Å; K112-T115 PolarHBondContact N-O 3.26Å; K112-T115 WeakPolarHBondContact O-CA 3.43Å; K112-T115 WeakPolarHBondContact O-CB 3.49Å; K112-T115 PolarHBondContact O-N 2.88Å; K112-Y117 HydrophobicContact CB-CE1 3.63Å
113	N	88.6	Confident	92.4	Very high	112 Å²	112	41.5 Å²	41.5	60%	0.599	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	51	40	176.8	-57.5	11.4	0	0	0	114.2	T115	N113-T115 PolarHBondContact O-N 2.91Å
114	M	83.4	Confident	92.6	Very high	84 Å²	84	38.4 Å²	38.4	41%	0.414	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.3	14.2	-172.6	-48.3	178.5	-65	0	0	115.3	K112 L244	K112-M114 VanDerWaalsContact C-N 3.27Å; K112-M114 PolarHBondContact O-N 2.93Å; M114-L244 WeakPolarHBondContact O-CB 3.49Å; M114-L244 WeakPolarHBondContact O-CD1 3.27Å; M114-L244 WeakPolarHBondContact O-CG 3.03Å; M114-L244 PolarHBondContact O-N 2.75Å; M114-L244 VanDerWaalsContact O-N 3.11Å
115	T	86.9	Confident	92.7	Very high	35 Å²	35	36 Å²	36	22%	0.215	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	124.8	163.7	-62.3	0	0	0	0	109.2	L111 K112 N113 T243	L111-T115 WeakPolarHBondContact CA-O 2.98Å; K112-T115 PolarHBondContact N-O 3.26Å; K112-T115 WeakPolarHBondContact O-CA 3.43Å; K112-T115 WeakPolarHBondContact O-CB 3.49Å; K112-T115 PolarHBondContact O-N 2.88Å; N113-T115 PolarHBondContact O-N 2.91Å; T115-T243 PolarHBondContact OG1-OG1 2.68Å; T115-T243 VanDerWaalsContact OG1-OG1 3.13Å
116	V	90.8	Very high	92.5	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.018	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	132	169.3	-179.6	0	0	0	0	107.8	V68 V84 C87 A110 L111 Y242 L244	V68-V116 HydrophobicContact CG1-CG1 4.3Å; V68-V116 HydrophobicContact CG1-CG2 4.13Å; V68-V116 HydrophobicContact CG2-CB 3.88Å; V68-V116 HydrophobicContact CG2-CG1 3.77Å; V68-V116 HydrophobicContact CG2-CG2 4.27Å; V84-V116 HydrophobicContact CB-CG2 4.33Å; V84-V116 HydrophobicContact CG1-CG1 4.48Å; V84-V116 HydrophobicContact CG1-CG2 3.93Å; V84-V116 HydrophobicContact CG2-CG2 3.64Å; C87-V116 WeakPolarHBondContact SG-CG1 3.04Å; A110-V116 WeakPolarHBondContact O-CA 3.02Å; L111-V116 HydrophobicContact CD1-CG2 3.8Å; V116-Y242 PolarHBondContact N-O 3.08Å; V116-Y242 PolarHBondContact O-N 2.64Å; V116-Y242 VanDerWaalsContact O-O 3.1Å; V116-L244 HydrophobicContact CG2-CD1 4.15Å; V116-L244 HydrophobicContact CG2-CD2 3.87Å; V116-L244 HydrophobicContact CG2-CG 4.06Å
117	Y	90.7	Very high	92.4	Very high	30 Å²	30	43.4 Å²	43.4	12%	0.118	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	144.3	-178.6	64.1	-72	0	0	0	112.3	A110 K112 R119 N239	A110-Y117 HydrophobicContact CB-CD1 4.05Å; A110-Y117 HydrophobicContact CB-CD2 4.34Å; A110-Y117 HydrophobicContact CB-CE1 3.63Å; A110-Y117 HydrophobicContact CB-CE2 3.99Å; A110-Y117 HydrophobicContact CB-CG 4.38Å; A110-Y117 PolarHBondContact N-O 3.18Å; A110-Y117 WeakPolarHBondContact O-CD1 3.38Å; A110-Y117 PolarHBondContact O-N 2.87Å; K112-Y117 HydrophobicContact CB-CE1 3.63Å; Y117-R119 HydrophobicContact CD2-CB 4Å; Y117-R119 HydrophobicContact CE2-CB 3.85Å; Y117-R119 HydrophobicContact CE2-CG 4.02Å; Y117-N239 WeakPolarHBondContact CD2-ND2 3.43Å
118	H	91.1	Very high	92.2	Very high	17 Å²	17	46.8 Å²	46.8	8%	0.079	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	130	161.8	-59.2	102.2	0	0	0	107.8	C87 Y107	C87-H118 VanDerWaalsContact CB-NE2 3.31Å; C87-H118 WeakPolarHBondContact CB-NE2 3.38Å; Y107-H118 HydrophobicContact CD1-CB 4.33Å
119	R	92.4	Very high	92.1	Very high	70 Å²	70	47.9 Å²	47.9	26%	0.264	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	128.9	174.4	-165	-171.5	-163	-168.7	8.8	108.9	Y107 T108 Y117 T121 E151	Y107-R119 CarbonylContact C-O 3.57Å; Y107-R119 WeakPolarHBondContact CA-O 3.21Å; T108-R119 PolarHBondContact N-O 3.14Å; T108-R119 PolarHBondContact O-N 3.18Å; T108-R119 PolarHBondContact OG1-O 2.75Å; Y117-R119 HydrophobicContact CD2-CB 4Å; Y117-R119 HydrophobicContact CE2-CB 3.85Å; Y117-R119 HydrophobicContact CE2-CG 4.02Å; R119-T121 HydrophobicContact CG-CG2 4.38Å; R119-T121 PolarHBondContact O-N 3.03Å; R119-E151 IonicContact CZ-OE1 3.96Å; R119-E151 IonicContact NE-OE1 3.17Å; R119-E151 IonicContact NH2-OE1 3.48Å; R119-E151 PolarHBondContact NH2-OE1 3.17Å
120	I	94.5	Very high	92.2	Very high	3 Å²	3	51.7 Å²	51.7	2%	0.015	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	120.7	165.4	-61.9	172.6	0	0	0	107.5	F105 Y106 Y107 S122 F133 V154 I236	F105-I120 HydrophobicContact CB-CD1 4.03Å; F105-I120 HydrophobicContact CB-CG1 4.24Å; F105-I120 HydrophobicContact CB-CG2 4.03Å; F105-I120 HydrophobicContact CD1-CD1 4.23Å; F105-I120 HydrophobicContact CD1-CG2 4.03Å; F105-I120 HydrophobicContact CG-CD1 3.99Å; F105-I120 HydrophobicContact CG-CG2 4.38Å; Y106-I120 WeakPolarHBondContact O-CA 3.38Å; Y107-I120 HydrophobicContact CD1-CG1 3.7Å; Y107-I120 HydrophobicContact CE1-CD1 3.84Å; Y107-I120 HydrophobicContact CE1-CG1 3.4Å; Y107-I120 VanDerWaalsContact CE1-CG1 3.4Å; Y107-I120 HydrophobicContact CE2-CG1 4.36Å; Y107-I120 HydrophobicContact CG-CG1 4.3Å; I120-S122 VanDerWaalsContact CG2-O 3.29Å; I120-S122 WeakPolarHBondContact CG2-O 3.44Å; I120-F133 HydrophobicContact CG2-CZ 4.41Å; I120-V154 HydrophobicContact CB-CG2 4.26Å; I120-V154 HydrophobicContact CG2-CB 4.3Å; I120-V154 HydrophobicContact CG2-CG1 3.94Å; I120-V154 HydrophobicContact CG2-CG2 4.15Å; I120-I236 HydrophobicContact CD1-CG2 3.94Å
121	T	95.3	Very high	92.3	Very high	46 Å²	46	51.2 Å²	51.2	28%	0.282	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	-18.6	-178.1	39.4	0	0	0	0	113.4	Y106 T108 R119 F133	Y106-T121 PolarHBondContact O-N 2.91Å; T108-T121 HydrophobicContact CG2-CG2 4.17Å; T108-T121 VanDerWaalsContact CG2-OG1 3.23Å; T108-T121 WeakPolarHBondContact CG2-OG1 3.46Å; T108-T121 WeakPolarHBondContact OG1-CG2 3.5Å; T108-T121 PolarHBondContact OG1-OG1 3.5Å; R119-T121 HydrophobicContact CG-CG2 4.38Å; R119-T121 PolarHBondContact O-N 3.03Å; T121-F133 VanDerWaalsContact C-CZ 3.44Å; T121-F133 WeakPolarHBondContact O-CE2 3.47Å; T121-F133 WeakPolarHBondContact O-CZ 3.42Å
122	S	96.1	Very high	92.6	Very high	4 Å²	4	50.8 Å²	50.8	3%	0.028	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	175.9	171.4	90.2	0	0	0	0	110.1	Y106 I120 V130 V131	Y106-S122 WeakPolarHBondContact CB-OG 3.13Å; Y106-S122 PolarHBondContact N-O 3.48Å; I120-S122 VanDerWaalsContact CG2-O 3.29Å; I120-S122 WeakPolarHBondContact CG2-O 3.44Å; S122-V130 VanDerWaalsContact OG-CG1 3.26Å; S122-V130 WeakPolarHBondContact OG-CG1 3.45Å; S122-V131 WeakPolarHBondContact CB-O 3.46Å
123	C	95.4	Very high	92.8	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	161.4	160.7	-58	0	0	0	0	109.6	N104 V131 F137 C146 I156	N104-C123 WeakPolarHBondContact O-CA 3Å; N104-C123 WeakPolarHBondContact O-CB 3.19Å; C123-V131 HydrophobicContact CB-CB 4.31Å; C123-V131 PolarHBondContact N-O 2.93Å; C123-V131 PolarHBondContact O-N 3.41Å; C123-F137 HydrophobicContact CB-CE1 4.23Å; C123-F137 HydrophobicContact CB-CZ 4.18Å; C123-C146 HydrophobicContact CB-CB 3.65Å; C123-C146 WeakPolarHBondContact CB-SG 3.42Å; C123-C146 PolarHBondContact N-SG 2.84Å; C123-C146 WeakPolarHBondContact SG-CA 3.14Å; C123-C146 WeakPolarHBondContact SG-CB 3.41Å; C123-C146 CovalentContact SG-SG 2.03Å; C123-C146 PolarHBondContact SG-SG 3.41Å; C123-I156 HydrophobicContact CB-CD1 4.16Å; C123-I156 HydrophobicContact CB-CG1 4.32Å; C123-I156 VanDerWaalsContact SG-CG1 3.5Å
124	A	95	Very high	93.2	Very high	2 Å²	2	44.5 Å²	44.5	2%	0.017	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	135.1	171.5	0	0	0	0	0	109.6	P101 N104 S129	P101-A124 HydrophobicContact CB-CB 3.86Å; N104-A124 PolarHBondContact O-N 3.37Å; A124-S129 CarbonylContact C-O 3.4Å; A124-S129 WeakPolarHBondContact CA-O 3.29Å
125	G	93.6	Very high	93.9	Very high	8 Å²	8	42.9 Å²	42.9	8%	0.082	25%	0.249	C	C	.	.			trans	-75.2	171.5	167.4	0	0	0	0	0	112.5	D127 D128 S129	G125-D127 PolarHBondContact O-N 3.06Å; G125-D128 PolarHBondContact O-N 2.9Å; G125-S129 PolarHBondContact N-O 2.78Å
126	D	90.6	Very high	94.3	Very high	105 Å²	105	44.2 Å²	44.2	56%	0.561	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-13.9	175.9	-60.8	-21.9	0	0	0	112.5	T139	D126-T139 WeakPolarHBondContact OD2-CA 3.14Å; D126-T139 WeakPolarHBondContact OD2-CB 3.26Å; D126-T139 WeakPolarHBondContact OD2-CG2 3.1Å
127	D	91.8	Very high	94.6	Very high	120 Å²	120	45 Å²	45	64%	0.642	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	17.7	177.5	67.6	-30.8	0	0	0	113.2	G125 S129	G125-D127 PolarHBondContact O-N 3.06Å; D127-S129 PolarHBondContact O-N 2.97Å; D127-S129 WeakPolarHBondContact OD1-CB 3.39Å; D127-S129 PolarHBondContact OD1-N 3.46Å; D127-S129 PolarHBondContact OD1-OG 2.75Å; D127-S129 WeakPolarHBondContact OD2-CB 3.33Å
128	D	90.7	Very high	94.8	Very high	108 Å²	108	47.5 Å²	47.5	58%	0.578	29%	0.289	S	S	*	.			trans	60.8	12.7	-170.6	-70.1	-41.8	0	0	0	114.8	P101 G125	P101-D128 HydrophobicContact CB-CB 4.44Å; P101-D128 WeakPolarHBondContact CB-OD1 3.4Å; P101-D128 HydrophobicContact CG-CB 3.99Å; P101-D128 WeakPolarHBondContact CG-OD1 3.12Å; G125-D128 PolarHBondContact O-N 2.9Å
129	S	94.4	Very high	94.9	Very high	41 Å²	41	47.3 Å²	47.3	29%	0.287	29%	0.289	S	S	.	.			trans	-65.8	141	-180	61.8	0	0	0	0	113.3	A124 G125 D127 V131	A124-S129 CarbonylContact C-O 3.4Å; A124-S129 WeakPolarHBondContact CA-O 3.29Å; G125-S129 PolarHBondContact N-O 2.78Å; D127-S129 PolarHBondContact O-N 2.97Å; D127-S129 WeakPolarHBondContact OD1-CB 3.39Å; D127-S129 PolarHBondContact OD1-N 3.46Å; D127-S129 PolarHBondContact OD1-OG 2.75Å; D127-S129 WeakPolarHBondContact OD2-CB 3.33Å; S129-V131 PolarHBondContact O-N 3.13Å
130	V	96.7	Very high	95	Very high	81 Å²	81	51.3 Å²	51.3	49%	0.491	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	96.2	-177.7	-179	0	0	0	0	109.5	Y106 S122 P132	Y106-V130 HydrophobicContact CD1-CG1 4.38Å; Y106-V130 HydrophobicContact CD1-CG2 4.46Å; Y106-V130 HydrophobicContact CD2-CG2 3.95Å; Y106-V130 HydrophobicContact CE1-CG2 4.24Å; Y106-V130 HydrophobicContact CE2-CG2 3.72Å; Y106-V130 HydrophobicContact CG-CG2 4.32Å; S122-V130 VanDerWaalsContact OG-CG1 3.26Å; S122-V130 WeakPolarHBondContact OG-CG1 3.45Å; V130-P132 WeakPolarHBondContact O-CD 3.37Å
131	V	97.1	Very high	95.1	Very high	10 Å²	10	52.7 Å²	52.7	6%	0.061	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	107.4	-177.3	-177.1	0	0	0	0	111.2	S122 C123 S129 F137 C146	S122-V131 WeakPolarHBondContact CB-O 3.46Å; C123-V131 HydrophobicContact CB-CB 4.31Å; C123-V131 PolarHBondContact N-O 2.93Å; C123-V131 PolarHBondContact O-N 3.41Å; S129-V131 PolarHBondContact O-N 3.13Å; V131-F137 HydrophobicContact CB-CD1 4.3Å; V131-F137 HydrophobicContact CB-CG 4.37Å; V131-F137 HydrophobicContact CG1-CB 4.02Å; V131-F137 HydrophobicContact CG1-CD1 3.67Å; V131-F137 HydrophobicContact CG1-CE1 4.31Å; V131-F137 HydrophobicContact CG1-CG 4Å; V131-F137 HydrophobicContact CG2-CB 3.8Å; V131-F137 HydrophobicContact CG2-CD1 4.26Å; V131-F137 HydrophobicContact CG2-CD2 4.07Å; V131-F137 HydrophobicContact CG2-CG 3.83Å; V131-C146 HydrophobicContact CG1-CB 4.15Å
132	P	97.5	Very high	95.2	Very high	72 Å²	72	50.9 Å²	50.9	47%	0.468	31%	0.305	S	S	.	.			trans	-70.2	156.9	-175.1	27.8	-33.4	0	0	0	113	V130 S135	V130-P132 WeakPolarHBondContact O-CD 3.37Å; P132-S135 VanDerWaalsContact O-CB 3.28Å; P132-S135 WeakPolarHBondContact O-CB 3.24Å; P132-S135 PolarHBondContact O-N 3.26Å
133	F	96.6	Very high	95.2	Very high	52 Å²	52	52.4 Å²	52.4	23%	0.228	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56	139.4	178.7	-56.4	-55.4	0	0	0	112.3	I120 T121 S135 C146 R148 V154	I120-F133 HydrophobicContact CG2-CZ 4.41Å; T121-F133 VanDerWaalsContact C-CZ 3.44Å; T121-F133 WeakPolarHBondContact O-CE2 3.47Å; T121-F133 WeakPolarHBondContact O-CZ 3.42Å; F133-S135 VanDerWaalsContact C-N 3.27Å; F133-S135 PolarHBondContact O-N 2.83Å; F133-C146 VanDerWaalsContact CD1-SG 3.59Å; F133-R148 HydrophobicContact CB-CB 4.36Å; F133-R148 HydrophobicContact CD1-CB 3.86Å; F133-R148 HydrophobicContact CD2-CB 4.41Å; F133-R148 HydrophobicContact CE1-CB 4.26Å; F133-R148 HydrophobicContact CG-CB 3.95Å; F133-V154 HydrophobicContact CD1-CG1 4.49Å; F133-V154 HydrophobicContact CE1-CB 4.42Å; F133-V154 HydrophobicContact CE1-CG1 3.71Å; F133-V154 HydrophobicContact CE1-CG2 3.76Å; F133-V154 HydrophobicContact CZ-CG2 3.9Å
134	G	96.5	Very high	95.2	Very high	44 Å²	44	52.4 Å²	52.4	45%	0.454	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.3	-24.7	-172.8	0	0	0	0	0	114	Q145 C146	G134-Q145 PolarHBondContact O-NE2 3.1Å; G134-C146 PolarHBondContact N-O 2.89Å
135	S	97.7	Very high	95.3	Very high	50 Å²	50	54.3 Å²	54.3	35%	0.35	32%	0.321	S	S	.	.			trans	-78.3	148.2	-176.6	-62.6	0	0	0	0	113	P132 F133 Q145 C146	P132-S135 VanDerWaalsContact O-CB 3.28Å; P132-S135 WeakPolarHBondContact O-CB 3.24Å; P132-S135 PolarHBondContact O-N 3.26Å; F133-S135 VanDerWaalsContact C-N 3.27Å; F133-S135 PolarHBondContact O-N 2.83Å; S135-Q145 WeakPolarHBondContact O-CA 3.25Å; S135-C146 PolarHBondContact O-N 3.2Å
136	A	96.6	Very high	95.4	Very high	62 Å²	62	54 Å²	54	51%	0.512	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	150.6	171.1	0	0	0	0	0	111.3	L143 L144	A136-L143 HydrophobicContact CB-CD1 4.34Å; A136-L144 CarbonylContact C-O 3.46Å; A136-L144 WeakPolarHBondContact CA-O 2.94Å; A136-L144 WeakPolarHBondContact CB-O 3.49Å
137	F	96.3	Very high	95.6	Very high	20 Å²	20	51 Å²	51	9%	0.088	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	147.2	178	66.7	-69.5	0	0	0	110.3	C123 V131 L144 C146 I156	C123-F137 HydrophobicContact CB-CE1 4.23Å; C123-F137 HydrophobicContact CB-CZ 4.18Å; V131-F137 HydrophobicContact CB-CD1 4.3Å; V131-F137 HydrophobicContact CB-CG 4.37Å; V131-F137 HydrophobicContact CG1-CB 4.02Å; V131-F137 HydrophobicContact CG1-CD1 3.67Å; V131-F137 HydrophobicContact CG1-CE1 4.31Å; V131-F137 HydrophobicContact CG1-CG 4Å; V131-F137 HydrophobicContact CG2-CB 3.8Å; V131-F137 HydrophobicContact CG2-CD1 4.26Å; V131-F137 HydrophobicContact CG2-CD2 4.07Å; V131-F137 HydrophobicContact CG2-CG 3.83Å; F137-L144 HydrophobicContact CD1-CB 3.8Å; F137-L144 HydrophobicContact CD2-CB 4.5Å; F137-L144 HydrophobicContact CD2-CD1 4.43Å; F137-L144 HydrophobicContact CE1-CB 3.54Å; F137-L144 HydrophobicContact CE1-CD1 4.33Å; F137-L144 HydrophobicContact CE2-CB 4.28Å; F137-L144 HydrophobicContact CE2-CD1 3.76Å; F137-L144 HydrophobicContact CG-CB 4.3Å; F137-L144 HydrophobicContact CZ-CB 3.81Å; F137-L144 HydrophobicContact CZ-CD1 3.71Å; F137-L144 HydrophobicContact CZ-CG 4.42Å; F137-L144 PolarHBondContact N-O 3.05Å; F137-L144 PolarHBondContact O-N 3.4Å; F137-C146 HydrophobicContact CE1-CB 4.42Å; F137-I156 HydrophobicContact CE1-CG2 4.36Å; F137-I156 HydrophobicContact CZ-CD1 4.13Å; F137-I156 HydrophobicContact CZ-CG1 4.45Å; F137-I156 HydrophobicContact CZ-CG2 4.33Å
138	S	94.9	Very high	95.7	Very high	83 Å²	83	51 Å²	51	58%	0.58	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101	133.4	-179.1	51.6	0	0	0	0	111.6
139	T	94.2	Very high	95.7	Very high	12 Å²	12	51.4 Å²	51.4	7%	0.074	29%	0.293	C	S	.	.			trans	-94.5	174.6	156.8	73.9	0	0	0	0	109.7	D126 H141 F142 L144	D126-T139 WeakPolarHBondContact OD2-CA 3.14Å; D126-T139 WeakPolarHBondContact OD2-CB 3.26Å; D126-T139 WeakPolarHBondContact OD2-CG2 3.1Å; T139-H141 PolarHBondContact O-N 3.48Å; T139-H141 PolarHBondContact OG1-N 3.12Å; T139-F142 PolarHBondContact N-O 3.17Å; T139-F142 PolarHBondContact OG1-N 3.18Å; T139-F142 VanDerWaalsContact OG1-N 3.14Å; T139-F142 PolarHBondContact OG1-O 2.6Å; T139-L144 HydrophobicContact CG2-CD1 3.5Å; T139-L144 VanDerWaalsContact CG2-CD1 3.5Å; T139-L144 HydrophobicContact CG2-CG 4.25Å
140	E	93.9	Very high	95.5	Very high	154 Å²	154	56 Å²	56	72%	0.72	31%	0.307	S	S	*	.	S	Bend	trans	-52.3	-20.7	175.7	-160.8	-166	145.8	0	0	114.2
141	H	96.4	Very high	95	Very high	33 Å²	33	56 Å²	56	15%	0.153	30%	0.302	C	S	.	.	S	Bend	trans	-131.2	-17.7	-171.6	-54	-25.2	0	0	0	114.7	T139 C161 I162 K192 W227	T139-H141 PolarHBondContact O-N 3.48Å; T139-H141 PolarHBondContact OG1-N 3.12Å; H141-C161 CarbonylContact O-C 3.6Å; H141-C161 WeakPolarHBondContact O-CA 3.17Å; H141-I162 PolarHBondContact O-N 2.89Å; H141-K192 HydrophobicContact CB-CD 4.22Å; H141-W227 AromaticContact CD2-CD1 3.2Å; H141-W227 AromaticContact CD2-CG 3.54Å; H141-W227 AromaticContact CD2-NE1 3.74Å; H141-W227 AromaticContact CE1-CD1 3.8Å; H141-W227 AromaticContact CE1-CE2 3.97Å; H141-W227 AromaticContact CE1-NE1 3.51Å; H141-W227 AromaticContact NE2-CD1 3.02Å; H141-W227 AromaticContact NE2-CE2 3.95Å; H141-W227 AromaticContact NE2-CG 3.76Å; H141-W227 AromaticContact NE2-NE1 3.11Å; H141-W227 PolarHBondContact NE2-NE1 2.85Å; H141-W227 VanDerWaalsContact NE2-NE1 3.11Å
142	F	96.9	Very high	94.4	Very high	7 Å²	7	58.6 Å²	58.6	3%	0.031	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	137.6	-170.9	-57.1	-76	0	0	0	112.3	T139 L144 V158 A160 V190 K192 W227 R229	T139-F142 PolarHBondContact N-O 3.17Å; T139-F142 PolarHBondContact OG1-N 3.18Å; T139-F142 VanDerWaalsContact OG1-N 3.14Å; T139-F142 PolarHBondContact OG1-O 2.6Å; F142-L144 HydrophobicContact CB-CD2 3.87Å; F142-L144 HydrophobicContact CB-CG 4.41Å; F142-V158 HydrophobicContact CB-CG1 4.27Å; F142-V158 HydrophobicContact CD1-CG1 4.04Å; F142-V158 HydrophobicContact CG-CG1 4.45Å; F142-A160 CarbonylContact C-O 3.36Å; F142-A160 WeakPolarHBondContact CA-O 3.38Å; F142-V190 HydrophobicContact CD1-CG1 4.15Å; F142-V190 HydrophobicContact CE1-CG1 3.95Å; F142-K192 HydrophobicContact CE1-CB 4.17Å; F142-K192 HydrophobicContact CZ-CB 4.34Å; F142-W227 HydrophobicContact CE2-CB 4.37Å; F142-W227 HydrophobicContact CZ-CB 4.15Å; F142-R229 HydrophobicContact CD1-CB 4.4Å; F142-R229 HydrophobicContact CD2-CB 3.74Å; F142-R229 HydrophobicContact CD2-CG 4.28Å; F142-R229 HydrophobicContact CE1-CB 4.15Å; F142-R229 HydrophobicContact CE2-CB 3.45Å; F142-R229 VanDerWaalsContact CE2-CB 3.45Å; F142-R229 HydrophobicContact CE2-CG 4.4Å; F142-R229 HydrophobicContact CG-CB 4.21Å; F142-R229 HydrophobicContact CZ-CB 3.68Å
143	L	96.8	Very high	93.9	Very high	37 Å²	37	55.9 Å²	55.9	19%	0.194	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	126.4	161.9	-173.3	66.1	0	0	0	108	A136 M159 A160 I162 P167	A136-L143 HydrophobicContact CB-CD1 4.34Å; L143-M159 HydrophobicContact CB-CB 4.38Å; L143-M159 HydrophobicContact CD2-CB 4.19Å; L143-M159 HydrophobicContact CG-CB 4.2Å; L143-M159 PolarHBondContact O-N 3.03Å; L143-A160 HydrophobicContact CB-CB 3.94Å; L143-A160 HydrophobicContact CD2-CB 4.4Å; L143-A160 PolarHBondContact N-O 3.42Å; L143-A160 PolarHBondContact O-N 3.26Å; L143-I162 HydrophobicContact CB-CD1 4.02Å; L143-P167 HydrophobicContact CD2-CB 4.06Å
144	L	95.8	Very high	93.7	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	157.4	-177	-56.2	-178.3	0	0	0	110.2	A136 F137 T139 F142 I156 R157 V158 R229	A136-L144 CarbonylContact C-O 3.46Å; A136-L144 WeakPolarHBondContact CA-O 2.94Å; A136-L144 WeakPolarHBondContact CB-O 3.49Å; F137-L144 HydrophobicContact CD1-CB 3.8Å; F137-L144 HydrophobicContact CD2-CB 4.5Å; F137-L144 HydrophobicContact CD2-CD1 4.43Å; F137-L144 HydrophobicContact CE1-CB 3.54Å; F137-L144 HydrophobicContact CE1-CD1 4.33Å; F137-L144 HydrophobicContact CE2-CB 4.28Å; F137-L144 HydrophobicContact CE2-CD1 3.76Å; F137-L144 HydrophobicContact CG-CB 4.3Å; F137-L144 HydrophobicContact CZ-CB 3.81Å; F137-L144 HydrophobicContact CZ-CD1 3.71Å; F137-L144 HydrophobicContact CZ-CG 4.42Å; F137-L144 PolarHBondContact N-O 3.05Å; F137-L144 PolarHBondContact O-N 3.4Å; T139-L144 HydrophobicContact CG2-CD1 3.5Å; T139-L144 VanDerWaalsContact CG2-CD1 3.5Å; T139-L144 HydrophobicContact CG2-CG 4.25Å; F142-L144 HydrophobicContact CB-CD2 3.87Å; F142-L144 HydrophobicContact CB-CG 4.41Å; L144-I156 HydrophobicContact CB-CG2 3.82Å; L144-I156 HydrophobicContact CD1-CG2 4.06Å; L144-I156 HydrophobicContact CD2-CG2 4.15Å; L144-I156 HydrophobicContact CG-CG2 4.24Å; L144-R157 CarbonylContact C-O 3.56Å; L144-R157 WeakPolarHBondContact CA-O 3.46Å; L144-V158 HydrophobicContact CD2-CB 4.3Å; L144-V158 HydrophobicContact CD2-CG1 4.32Å; L144-V158 HydrophobicContact CD2-CG2 3.86Å; L144-R229 VanDerWaalsContact CD1-CZ 3.48Å
145	Q	96.2	Very high	93.5	Very high	42 Å²	42	52.8 Å²	52.8	20%	0.196	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	129.4	170	-167.1	179.3	21.1	0	0	110.2	G134 S135 M147 I156 R157 M159	G134-Q145 PolarHBondContact O-NE2 3.1Å; S135-Q145 WeakPolarHBondContact O-CA 3.25Å; Q145-M147 HydrophobicContact CB-CG 4.43Å; Q145-M147 VanDerWaalsContact CD-SD 3.51Å; Q145-M147 HydrophobicContact CG-CG 4.22Å; Q145-M147 HydrophobicContact CG-SD 3.75Å; Q145-I156 WeakPolarHBondContact O-CA 3.23Å; Q145-R157 HydrophobicContact CB-CB 4.49Å; Q145-R157 PolarHBondContact N-O 2.98Å; Q145-R157 PolarHBondContact O-N 3.28Å; Q145-M159 HydrophobicContact CB-CG 3.77Å; Q145-M159 HydrophobicContact CB-SD 4.08Å
146	C	96.4	Very high	93.3	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	118	176.4	-169.8	0	0	0	0	110	C123 V131 F133 G134 S135 F137	C123-C146 HydrophobicContact CB-CB 3.65Å; C123-C146 WeakPolarHBondContact CB-SG 3.42Å; C123-C146 PolarHBondContact N-SG 2.84Å; C123-C146 WeakPolarHBondContact SG-CA 3.14Å; C123-C146 WeakPolarHBondContact SG-CB 3.41Å; C123-C146 CovalentContact SG-SG 2.03Å; C123-C146 PolarHBondContact SG-SG 3.41Å; V131-C146 HydrophobicContact CG1-CB 4.15Å; F133-C146 VanDerWaalsContact CD1-SG 3.59Å; G134-C146 PolarHBondContact N-O 2.89Å; S135-C146 PolarHBondContact O-N 3.2Å; F137-C146 HydrophobicContact CE1-CB 4.42Å
147	M	94.9	Very high	93.2	Very high	44 Å²	44	53.4 Å²	53.4	22%	0.217	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	143.4	-170	-66.8	-61.2	-66.4	0	0	112.9	Q145 V154 Y155 R157	Q145-M147 HydrophobicContact CB-CG 4.43Å; Q145-M147 VanDerWaalsContact CD-SD 3.51Å; Q145-M147 HydrophobicContact CG-CG 4.22Å; Q145-M147 HydrophobicContact CG-SD 3.75Å; M147-V154 WeakPolarHBondContact O-CA 3.49Å; M147-Y155 HydrophobicContact CB-CD1 3.88Å; M147-Y155 HydrophobicContact CB-CD2 4.37Å; M147-Y155 HydrophobicContact CB-CE1 3.32Å; M147-Y155 HydrophobicContact CB-CE2 3.91Å; M147-Y155 HydrophobicContact CB-CG 4.36Å; M147-Y155 HydrophobicContact CG-CE1 4.39Å; M147-Y155 HydrophobicContact CG-CE2 4.29Å; M147-Y155 PolarHBondContact N-O 3.03Å; M147-Y155 PolarHBondContact O-N 2.91Å; M147-Y155 VanDerWaalsContact O-O 3.06Å; M147-R157 HydrophobicContact CG-CB 4.16Å
148	R	93.7	Very high	93.1	Very high	118 Å²	118	52.5 Å²	52.5	45%	0.445	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	117.2	177	-176.1	179.3	72.9	175	2.3	109.6	F133 K150 D153 V154	F133-R148 HydrophobicContact CB-CB 4.36Å; F133-R148 HydrophobicContact CD1-CB 3.86Å; F133-R148 HydrophobicContact CD2-CB 4.41Å; F133-R148 HydrophobicContact CE1-CB 4.26Å; F133-R148 HydrophobicContact CG-CB 3.95Å; R148-K150 WeakPolarHBondContact CG-O 3Å; R148-D153 WeakPolarHBondContact CA-O 3.42Å; R148-V154 HydrophobicContact CB-CG2 4.47Å; R148-V154 HydrophobicContact CG-CG2 4.19Å
149	I	91.3	Very high	93.1	Very high	117 Å²	117	50.5 Å²	50.5	60%	0.6	23%	0.229	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-91.3	-40	179.4	-69.4	153	0	0	0	111.5	D153 Y155	I149-D153 HydrophobicContact CB-CB 4.41Å; I149-D153 PolarHBondContact N-O 3.32Å; I149-Y155 HydrophobicContact CD1-CD1 4.1Å; I149-Y155 HydrophobicContact CD1-CE1 3.38Å; I149-Y155 HydrophobicContact CG1-CE1 3.75Å
150	K	89.5	Confident	93.3	Very high	137 Å²	137	49.9 Å²	49.9	60%	0.596	23%	0.226	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-131.8	170.3	176	-52.5	-164.5	-179.9	-168.1	0	108.9	R148 H152 D153	R148-K150 WeakPolarHBondContact CG-O 3Å; K150-H152 PolarHBondContact O-N 3.13Å; K150-D153 HydrophobicContact CB-CB 3.92Å; K150-D153 WeakPolarHBondContact CD-OD2 3.03Å; K150-D153 HydrophobicContact CG-CB 4.3Å; K150-D153 WeakPolarHBondContact CG-OD2 3.29Å; K150-D153 PolarHBondContact O-N 3.42Å
151	E	86.2	Confident	93.5	Very high	81 Å²	81	42.6 Å²	42.6	38%	0.379	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-25	-175	-148.8	-143.1	128.9	0	0	114.5	R119	R119-E151 IonicContact CZ-OE1 3.96Å; R119-E151 IonicContact NE-OE1 3.17Å; R119-E151 IonicContact NH2-OE1 3.48Å; R119-E151 PolarHBondContact NH2-OE1 3.17Å
152	H	84.3	Confident	93.6	Very high	65 Å²	65	41.8 Å²	41.8	30%	0.301	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.8	5.9	179	-44.6	-23.3	0	0	0	113.8	K150 V154 I236 I237 S238 N239	K150-H152 PolarHBondContact O-N 3.13Å; H152-V154 PolarHBondContact O-N 3.25Å; H152-I236 VanDerWaalsContact O-O 3.1Å; H152-I237 WeakPolarHBondContact O-CA 3.31Å; H152-S238 VanDerWaalsContact CA-OG 3.24Å; H152-S238 WeakPolarHBondContact CA-OG 3.46Å; H152-S238 WeakPolarHBondContact CB-OG 3.21Å; H152-S238 PolarHBondContact O-N 3.2Å; H152-S238 PolarHBondContact O-OG 3.16Å; H152-N239 PolarHBondContact CE1-ND2 2.67Å; H152-N239 PolarHBondContact ND1-ND2 3.41Å; H152-N239 VanDerWaalsContact ND1-ND2 3.2Å; H152-N239 PolarHBondContact NE2-ND2 3.02Å
153	D	87.7	Confident	93.6	Very high	16 Å²	16	41.6 Å²	41.6	9%	0.086	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	81.9	-176.6	-70.9	-4.3	0	0	0	109.3	R148 I149 K150 K235	R148-D153 WeakPolarHBondContact CA-O 3.42Å; I149-D153 HydrophobicContact CB-CB 4.41Å; I149-D153 PolarHBondContact N-O 3.32Å; K150-D153 HydrophobicContact CB-CB 3.92Å; K150-D153 WeakPolarHBondContact CD-OD2 3.03Å; K150-D153 HydrophobicContact CG-CB 4.3Å; K150-D153 WeakPolarHBondContact CG-OD2 3.29Å; K150-D153 PolarHBondContact O-N 3.42Å; D153-K235 HydrophobicContact CB-CD 4.44Å; D153-K235 HydrophobicContact CB-CG 4.24Å; D153-K235 VanDerWaalsContact CG-CE 3.49Å; D153-K235 WeakPolarHBondContact OD1-CD 3.46Å; D153-K235 WeakPolarHBondContact OD1-CE 3.45Å; D153-K235 IonicContact OD1-NZ 3.42Å; D153-K235 PolarHBondContact OD1-NZ 2.62Å; D153-K235 IonicContact OD2-NZ 2.75Å; D153-K235 PolarHBondContact OD2-NZ 3.18Å
154	V	91.3	Very high	93.6	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	140.9	-179.9	-176.7	0	0	0	0	110.5	F105 I120 F133 M147 R148 H152 I236	F105-V154 HydrophobicContact CD1-CG1 3.98Å; F105-V154 HydrophobicContact CE1-CG1 3.81Å; I120-V154 HydrophobicContact CB-CG2 4.26Å; I120-V154 HydrophobicContact CG2-CB 4.3Å; I120-V154 HydrophobicContact CG2-CG1 3.94Å; I120-V154 HydrophobicContact CG2-CG2 4.15Å; F133-V154 HydrophobicContact CD1-CG1 4.49Å; F133-V154 HydrophobicContact CE1-CB 4.42Å; F133-V154 HydrophobicContact CE1-CG1 3.71Å; F133-V154 HydrophobicContact CE1-CG2 3.76Å; F133-V154 HydrophobicContact CZ-CG2 3.9Å; M147-V154 WeakPolarHBondContact O-CA 3.49Å; R148-V154 HydrophobicContact CB-CG2 4.47Å; R148-V154 HydrophobicContact CG-CG2 4.19Å; H152-V154 PolarHBondContact O-N 3.25Å; V154-I236 PolarHBondContact N-O 2.94Å; V154-I236 PolarHBondContact O-N 3.15Å; V154-I236 VanDerWaalsContact O-N 3.14Å
155	Y	92.4	Very high	93.6	Very high	31 Å²	31	54.9 Å²	54.9	12%	0.122	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	168.9	174.1	69.6	-70.4	0	0	0	110	M147 I149 R157	M147-Y155 HydrophobicContact CB-CD1 3.88Å; M147-Y155 HydrophobicContact CB-CD2 4.37Å; M147-Y155 HydrophobicContact CB-CE1 3.32Å; M147-Y155 HydrophobicContact CB-CE2 3.91Å; M147-Y155 HydrophobicContact CB-CG 4.36Å; M147-Y155 HydrophobicContact CG-CE1 4.39Å; M147-Y155 HydrophobicContact CG-CE2 4.29Å; M147-Y155 PolarHBondContact N-O 3.03Å; M147-Y155 PolarHBondContact O-N 2.91Å; M147-Y155 VanDerWaalsContact O-O 3.06Å; I149-Y155 HydrophobicContact CD1-CD1 4.1Å; I149-Y155 HydrophobicContact CD1-CE1 3.38Å; I149-Y155 HydrophobicContact CG1-CE1 3.75Å; Y155-R157 HydrophobicContact CE2-CB 4.14Å
156	I	93.3	Very high	93.6	Very high	18 Å²	18	57.6 Å²	57.6	9%	0.092	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	124.1	174.5	-70.5	158.9	0	0	0	108.6	N104 F105 C123 F137 L144 Q145	N104-I156 HydrophobicContact CB-CD1 3.29Å; N104-I156 WeakPolarHBondContact O-CD1 3.45Å; F105-I156 HydrophobicContact CD1-CD1 4.39Å; F105-I156 HydrophobicContact CE1-CD1 3.7Å; F105-I156 HydrophobicContact CE1-CG1 3.91Å; F105-I156 HydrophobicContact CZ-CD1 3.83Å; F105-I156 HydrophobicContact CZ-CG1 4.21Å; C123-I156 HydrophobicContact CB-CD1 4.16Å; C123-I156 HydrophobicContact CB-CG1 4.32Å; C123-I156 VanDerWaalsContact SG-CG1 3.5Å; F137-I156 HydrophobicContact CE1-CG2 4.36Å; F137-I156 HydrophobicContact CZ-CD1 4.13Å; F137-I156 HydrophobicContact CZ-CG1 4.45Å; F137-I156 HydrophobicContact CZ-CG2 4.33Å; L144-I156 HydrophobicContact CB-CG2 3.82Å; L144-I156 HydrophobicContact CD1-CG2 4.06Å; L144-I156 HydrophobicContact CD2-CG2 4.15Å; L144-I156 HydrophobicContact CG-CG2 4.24Å; Q145-I156 WeakPolarHBondContact O-CA 3.23Å
157	R	93.7	Very high	93.7	Very high	107 Å²	107	60.6 Å²	60.6	40%	0.404	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	134.4	174.6	-178.3	176.1	179.1	-174	3.8	109	L144 Q145 M147 Y155 M159	L144-R157 CarbonylContact C-O 3.56Å; L144-R157 WeakPolarHBondContact CA-O 3.46Å; Q145-R157 HydrophobicContact CB-CB 4.49Å; Q145-R157 PolarHBondContact N-O 2.98Å; Q145-R157 PolarHBondContact O-N 3.28Å; M147-R157 HydrophobicContact CG-CB 4.16Å; Y155-R157 HydrophobicContact CE2-CB 4.14Å; R157-M159 HydrophobicContact CB-SD 4.41Å; R157-M159 WeakPolarHBondContact CD-SD 3.47Å; R157-M159 HydrophobicContact CG-SD 3.71Å
158	V	95.5	Very high	93.8	Very high	1 Å²	1	58.9 Å²	58.9	1%	0.006	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	135.5	164.5	-172	0	0	0	0	107.9	F142 L144 F170 V190 R229 N231	F142-V158 HydrophobicContact CB-CG1 4.27Å; F142-V158 HydrophobicContact CD1-CG1 4.04Å; F142-V158 HydrophobicContact CG-CG1 4.45Å; L144-V158 HydrophobicContact CD2-CB 4.3Å; L144-V158 HydrophobicContact CD2-CG1 4.32Å; L144-V158 HydrophobicContact CD2-CG2 3.86Å; V158-F170 HydrophobicContact CB-CZ 4.22Å; V158-F170 HydrophobicContact CG1-CE1 4.12Å; V158-F170 HydrophobicContact CG1-CZ 3.99Å; V158-F170 WeakPolarHBondContact O-CZ 3.41Å; V158-V190 HydrophobicContact CB-CB 4.44Å; V158-V190 HydrophobicContact CB-CG2 4.17Å; V158-V190 HydrophobicContact CG1-CB 4.03Å; V158-V190 HydrophobicContact CG1-CG1 3.9Å; V158-V190 HydrophobicContact CG1-CG2 4.1Å; V158-R229 HydrophobicContact CG2-CG 4.24Å; V158-N231 HydrophobicContact CB-CB 4.3Å; V158-N231 HydrophobicContact CG2-CB 4.2Å; V158-N231 PolarHBondContact N-OD1 3.01Å
159	M	95.6	Very high	94	Very high	40 Å²	40	58.5 Å²	58.5	20%	0.197	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	-36.6	-175.2	-62.3	-61.8	-73.7	0	0	112.8	L143 Q145 R157 F169	L143-M159 HydrophobicContact CB-CB 4.38Å; L143-M159 HydrophobicContact CD2-CB 4.19Å; L143-M159 HydrophobicContact CG-CB 4.2Å; L143-M159 PolarHBondContact O-N 3.03Å; Q145-M159 HydrophobicContact CB-CG 3.77Å; Q145-M159 HydrophobicContact CB-SD 4.08Å; R157-M159 HydrophobicContact CB-SD 4.41Å; R157-M159 WeakPolarHBondContact CD-SD 3.47Å; R157-M159 HydrophobicContact CG-SD 3.71Å; M159-F169 WeakPolarHBondContact O-CD1 3.09Å
160	A	97.2	Very high	94.2	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160	167.2	179.9	0	0	0	0	0	109.9	F142 L143 P167 V168 F169	F142-A160 CarbonylContact C-O 3.36Å; F142-A160 WeakPolarHBondContact CA-O 3.38Å; L143-A160 HydrophobicContact CB-CB 3.94Å; L143-A160 HydrophobicContact CD2-CB 4.4Å; L143-A160 PolarHBondContact N-O 3.42Å; L143-A160 PolarHBondContact O-N 3.26Å; A160-P167 HydrophobicContact CB-CB 4Å; A160-V168 WeakPolarHBondContact CA-O 3.32Å; A160-V168 WeakPolarHBondContact CB-O 3.29Å; A160-F169 HydrophobicContact CB-CD1 4.09Å; A160-F169 HydrophobicContact CB-CE1 4.35Å; A160-F169 HydrophobicContact CB-CG 4.49Å
161	C	98.1	Very high	94.6	Very high	1 Å²	1	52 Å²	52	1%	0.007	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	158.6	160.4	-55.6	0	0	0	0	109.5	H141 P167 V168 C183 K192	H141-C161 CarbonylContact O-C 3.6Å; H141-C161 WeakPolarHBondContact O-CA 3.17Å; C161-P167 CarbonylContact O-C 3.58Å; C161-P167 WeakPolarHBondContact O-CA 3.15Å; C161-V168 HydrophobicContact CB-CB 4.46Å; C161-V168 PolarHBondContact N-O 2.92Å; C161-V168 PolarHBondContact O-N 2.63Å; C161-C183 HydrophobicContact CB-CB 3.73Å; C161-C183 WeakPolarHBondContact CB-SG 3.42Å; C161-C183 PolarHBondContact N-SG 3.27Å; C161-C183 WeakPolarHBondContact SG-CB 3.3Å; C161-C183 CovalentContact SG-SG 2.04Å; C161-C183 PolarHBondContact SG-SG 3.45Å; C161-K192 HydrophobicContact CB-CB 4.15Å; C161-K192 HydrophobicContact CB-CD 4.49Å; C161-K192 HydrophobicContact CB-CG 4.28Å
162	I	97.9	Very high	95.1	Very high	16 Å²	16	54.5 Å²	54.5	8%	0.082	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	130	169.4	-59.4	-61.3	0	0	0	109.2	H141 L143 P167 K192	H141-I162 PolarHBondContact O-N 2.89Å; L143-I162 HydrophobicContact CB-CD1 4.02Å; I162-P167 HydrophobicContact CD1-CB 4.32Å; I162-K192 VanDerWaalsContact O-CE 3.3Å; I162-K192 WeakPolarHBondContact O-CE 3.43Å; I162-K192 PolarHBondContact O-NZ 3.33Å
163	V	97.7	Very high	95.8	Very high	3 Å²	3	55.9 Å²	55.9	2%	0.018	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	120.9	172.2	175.3	0	0	0	0	106.8	Y165 N166 V168 Y181	V163-Y165 PolarHBondContact O-N 2.97Å; V163-N166 PolarHBondContact N-O 2.95Å; V163-N166 WeakPolarHBondContact O-CA 3.36Å; V163-N166 WeakPolarHBondContact O-CB 3.25Å; V163-N166 PolarHBondContact O-N 2.83Å; V163-V168 HydrophobicContact CB-CG2 3.86Å; V163-V168 HydrophobicContact CG2-CG2 3.77Å; V163-Y181 HydrophobicContact CB-CD2 4.36Å; V163-Y181 HydrophobicContact CG1-CD2 3.49Å; V163-Y181 VanDerWaalsContact CG1-CD2 3.49Å; V163-Y181 HydrophobicContact CG1-CE2 3.74Å; V163-Y181 HydrophobicContact CG1-CG 4.18Å; V163-Y181 HydrophobicContact CG2-CD1 4.11Å; V163-Y181 HydrophobicContact CG2-CD2 3.87Å; V163-Y181 HydrophobicContact CG2-CG 3.65Å
164	D	95.8	Very high	96.2	Very high	104 Å²	104	57.1 Å²	57.1	56%	0.556	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	38.1	62.9	-172	-171.4	36.7	0	0	0	113.3	N166 D176	D164-N166 PolarHBondContact O-N 3.21Å; D164-N166 PolarHBondContact O-ND2 2.99Å; D164-D176 HydrophobicContact CB-CB 4.33Å
165	Y	96.1	Very high	96.5	Very high	211 Å²	211	59.1 Å²	59.1	83%	0.827	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.1	-9.6	-175.4	-54.4	-83.8	0	0	0	117	V163	V163-Y165 PolarHBondContact O-N 2.97Å
166	N	97.4	Very high	96.7	Very high	100 Å²	100	59.6 Å²	59.6	54%	0.535	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	136	-177.3	-72.7	-83.7	0	0	0	111.9	V163 D164	V163-N166 PolarHBondContact N-O 2.95Å; V163-N166 WeakPolarHBondContact O-CA 3.36Å; V163-N166 WeakPolarHBondContact O-CB 3.25Å; V163-N166 PolarHBondContact O-N 2.83Å; D164-N166 PolarHBondContact O-N 3.21Å; D164-N166 PolarHBondContact O-ND2 2.99Å
167	P	97.8	Very high	96.8	Very high	62 Å²	62	66.1 Å²	66.1	40%	0.403	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	118.1	179	31.1	-33.4	0	0	0	112.5	L143 A160 C161 I162	L143-P167 HydrophobicContact CD2-CB 4.06Å; A160-P167 HydrophobicContact CB-CB 4Å; C161-P167 CarbonylContact O-C 3.58Å; C161-P167 WeakPolarHBondContact O-CA 3.15Å; I162-P167 HydrophobicContact CD1-CB 4.32Å
168	V	97.8	Very high	97	Very high	9 Å²	9	66.9 Å²	66.9	6%	0.055	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	104	179.4	-171.3	0	0	0	0	109.6	A160 C161 V163 K172 C183	A160-V168 WeakPolarHBondContact CA-O 3.32Å; A160-V168 WeakPolarHBondContact CB-O 3.29Å; C161-V168 HydrophobicContact CB-CB 4.46Å; C161-V168 PolarHBondContact N-O 2.92Å; C161-V168 PolarHBondContact O-N 2.63Å; V163-V168 HydrophobicContact CB-CG2 3.86Å; V163-V168 HydrophobicContact CG2-CG2 3.77Å; V168-K172 HydrophobicContact CG1-CB 3.97Å; V168-C183 HydrophobicContact CB-CB 4.38Å; V168-C183 HydrophobicContact CG1-CB 3.98Å; V168-C183 PolarHBondContact O-SG 2.89Å
169	F	97.1	Very high	97.1	Very high	109 Å²	109	69 Å²	69	48%	0.478	36%	0.358	S	S	.	.			trans	-67.3	159.5	-179.9	-64.5	-78.5	0	0	0	112.9	M159 A160 K172	M159-F169 WeakPolarHBondContact O-CD1 3.09Å; A160-F169 HydrophobicContact CB-CD1 4.09Å; A160-F169 HydrophobicContact CB-CE1 4.35Å; A160-F169 HydrophobicContact CB-CG 4.49Å; F169-K172 VanDerWaalsContact O-CB 3.27Å; F169-K172 WeakPolarHBondContact O-CB 3.31Å; F169-K172 PolarHBondContact O-N 2.68Å; F169-K172 VanDerWaalsContact O-N 3.12Å
170	F	96.5	Very high	97.2	Very high	55 Å²	55	68.9 Å²	68.9	24%	0.241	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	140.4	-175	-47.9	-29.8	0	0	0	112.4	V158 K172 C183 E185 V190	V158-F170 HydrophobicContact CB-CZ 4.22Å; V158-F170 HydrophobicContact CG1-CE1 4.12Å; V158-F170 HydrophobicContact CG1-CZ 3.99Å; V158-F170 WeakPolarHBondContact O-CZ 3.41Å; F170-K172 PolarHBondContact O-N 3.1Å; F170-C183 WeakPolarHBondContact CA-O 3.34Å; F170-E185 HydrophobicContact CB-CB 4.39Å; F170-E185 HydrophobicContact CD2-CB 4.02Å; F170-E185 HydrophobicContact CG-CB 4.2Å; F170-V190 HydrophobicContact CD1-CG1 4.14Å; F170-V190 HydrophobicContact CD1-CG2 4.33Å; F170-V190 HydrophobicContact CE1-CB 4.34Å; F170-V190 HydrophobicContact CE1-CG1 3.62Å; F170-V190 HydrophobicContact CE1-CG2 3.7Å; F170-V190 HydrophobicContact CE2-CG2 4.09Å; F170-V190 HydrophobicContact CZ-CG1 4.29Å; F170-V190 HydrophobicContact CZ-CG2 3.55Å
171	G	96.9	Very high	97.3	Very high	63 Å²	63	69.9 Å²	69.9	65%	0.649	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.2	9.4	-174.4	0	0	0	0	0	113.9	C183	G171-C183 PolarHBondContact N-O 3.39Å
172	K	97.8	Very high	97.3	Very high	133 Å²	133	70.6 Å²	70.6	58%	0.578	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.5	150.1	169.6	-55.3	-59.7	-176.8	-178.5	0	111	V168 F169 F170 C183	V168-K172 HydrophobicContact CG1-CB 3.97Å; F169-K172 VanDerWaalsContact O-CB 3.27Å; F169-K172 WeakPolarHBondContact O-CB 3.31Å; F169-K172 PolarHBondContact O-N 2.68Å; F169-K172 VanDerWaalsContact O-N 3.12Å; F170-K172 PolarHBondContact O-N 3.1Å; K172-C183 PolarHBondContact O-N 2.98Å; K172-C183 VanDerWaalsContact O-N 3.1Å
173	N	97.4	Very high	97.3	Very high	94 Å²	94	69.9 Å²	69.9	50%	0.503	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	157.7	164.4	-61.2	-18.7	0	0	0	108.7	W180 Y181 S182	N173-W180 HydrophobicContact CB-CE3 4.4Å; N173-Y181 CarbonylContact C-O 3.41Å; N173-Y181 WeakPolarHBondContact CA-O 3.31Å; N173-Y181 WeakPolarHBondContact CB-O 3.44Å; N173-S182 WeakPolarHBondContact OD1-CA 3.05Å; N173-S182 VanDerWaalsContact OD1-CB 3.28Å; N173-S182 WeakPolarHBondContact OD1-CB 3.15Å; N173-S182 PolarHBondContact OD1-OG 2.89Å
174	S	97.8	Very high	97.3	Very high	42 Å²	42	71.7 Å²	71.7	29%	0.294	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	171	172.1	-161	0	0	0	0	109.3	W180 Y181	S174-W180 CarbonylContact O-C 3.57Å; S174-W180 WeakPolarHBondContact O-CA 3.1Å; S174-Y181 PolarHBondContact N-O 3.19Å; S174-Y181 PolarHBondContact O-N 2.82Å
175	S	97.3	Very high	97.3	Very high	43 Å²	43	71.3 Å²	71.3	30%	0.301	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	160	174.4	50.9	0	0	0	0	111.3	Y179 F198	S175-Y179 WeakPolarHBondContact CA-O 3.35Å; S175-Y179 WeakPolarHBondContact CB-O 2.9Å; S175-F198 WeakPolarHBondContact OG-CE1 3.49Å; S175-F198 VanDerWaalsContact OG-CZ 3.31Å; S175-F198 WeakPolarHBondContact OG-CZ 3.18Å
176	D	96.4	Very high	97.3	Very high	40 Å²	40	65.6 Å²	65.6	21%	0.214	35%	0.351	C	S	.	.			trans	-113.7	-166.7	157.7	63.2	27.8	0	0	0	109	D164 Q178 Y179 Y181 F198	D164-D176 HydrophobicContact CB-CB 4.33Å; D176-Q178 PolarHBondContact O-N 2.91Å; D176-Q178 VanDerWaalsContact O-N 3.15Å; D176-Q178 PolarHBondContact OD1-N 3.39Å; D176-Y179 PolarHBondContact N-O 2.69Å; D176-Y179 PolarHBondContact OD1-N 2.78Å; D176-Y181 WeakPolarHBondContact OD2-CE2 3.24Å; D176-Y181 PolarHBondContact OD2-OH 2.87Å; D176-Y181 VanDerWaalsContact OD2-OH 3.14Å; D176-F198 WeakPolarHBondContact O-CD1 3.26Å
177	D	95.5	Very high	97	Very high	155 Å²	155	64.1 Å²	64.1	83%	0.829	36%	0.359	S	S	*	.	S	Bend	trans	-66.9	-6	180	-81.1	-21.9	0	0	0	115.3
178	Q	97.2	Very high	96.8	Very high	123 Å²	123	66.8 Å²	66.8	58%	0.575	37%	0.366	S	S	*	.	S	Bend	trans	-130.3	-34.3	-173.2	-60.1	-175.9	24.6	0	0	113.8	D176 C197 F198	D176-Q178 PolarHBondContact O-N 2.91Å; D176-Q178 VanDerWaalsContact O-N 3.15Å; D176-Q178 PolarHBondContact OD1-N 3.39Å; Q178-C197 CarbonylContact O-C 3.57Å; Q178-C197 VanDerWaalsContact O-CA 3.31Å; Q178-C197 WeakPolarHBondContact O-CA 3.34Å; Q178-F198 PolarHBondContact O-N 2.86Å
179	Y	98.3	Very high	96.6	Very high	47 Å²	47	69 Å²	69	18%	0.184	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	154.9	-168.9	-59.1	-70.1	0	0	0	112.5	S175 D176 I194 G196 L221 P222	S175-Y179 WeakPolarHBondContact CA-O 3.35Å; S175-Y179 WeakPolarHBondContact CB-O 2.9Å; D176-Y179 PolarHBondContact N-O 2.69Å; D176-Y179 PolarHBondContact OD1-N 2.78Å; Y179-I194 HydrophobicContact CD1-CD1 4.49Å; Y179-I194 HydrophobicContact CD1-CG2 3.81Å; Y179-I194 HydrophobicContact CD2-CD1 4.41Å; Y179-I194 HydrophobicContact CG-CD1 4.2Å; Y179-I194 HydrophobicContact CG-CG2 4.1Å; Y179-G196 WeakPolarHBondContact CA-O 3.33Å; Y179-L221 HydrophobicContact CD1-CD2 4.38Å; Y179-P222 HydrophobicContact CE1-CG 4.44Å; Y179-P222 HydrophobicContact CE2-CG 4.45Å
180	W	98	Very high	96.6	Very high	37 Å²	37	63.9 Å²	63.9	14%	0.14	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	137.7	165	74.9	-83.8	0	0	0	111.5	N173 S174 K195 G196 F198 Y204	N173-W180 HydrophobicContact CB-CE3 4.4Å; S174-W180 CarbonylContact O-C 3.57Å; S174-W180 WeakPolarHBondContact O-CA 3.1Å; W180-K195 HydrophobicContact CD2-CB 3.85Å; W180-K195 HydrophobicContact CE3-CB 3.78Å; W180-K195 HydrophobicContact CE3-CG 4.16Å; W180-K195 HydrophobicContact CH2-CB 3.28Å; W180-K195 HydrophobicContact CH2-CG 3.73Å; W180-K195 HydrophobicContact CZ2-CB 3.31Å; W180-K195 HydrophobicContact CZ2-CG 4.27Å; W180-K195 HydrophobicContact CZ3-CB 3.51Å; W180-K195 HydrophobicContact CZ3-CG 3.65Å; W180-K195 PolarHBondContact O-N 3.11Å; W180-G196 PolarHBondContact N-O 3.31Å; W180-G196 VanDerWaalsContact NE1-CA 3.34Å; W180-F198 HydrophobicContact CB-CB 4.48Å; W180-F198 HydrophobicContact CB-CD2 4.43Å; W180-Y204 PolarHBondContact NE1-O 2.91Å
181	Y	98.4	Very high	96.6	Very high	20 Å²	20	61.3 Å²	61.3	8%	0.078	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	147.6	-170.4	-62.5	-97.7	0	0	0	109.9	V163 N173 S174 D176 K192 E193 I194 W227	V163-Y181 HydrophobicContact CB-CD2 4.36Å; V163-Y181 HydrophobicContact CG1-CD2 3.49Å; V163-Y181 VanDerWaalsContact CG1-CD2 3.49Å; V163-Y181 HydrophobicContact CG1-CE2 3.74Å; V163-Y181 HydrophobicContact CG1-CG 4.18Å; V163-Y181 HydrophobicContact CG2-CD1 4.11Å; V163-Y181 HydrophobicContact CG2-CD2 3.87Å; V163-Y181 HydrophobicContact CG2-CG 3.65Å; N173-Y181 CarbonylContact C-O 3.41Å; N173-Y181 WeakPolarHBondContact CA-O 3.31Å; N173-Y181 WeakPolarHBondContact CB-O 3.44Å; S174-Y181 PolarHBondContact N-O 3.19Å; S174-Y181 PolarHBondContact O-N 2.82Å; D176-Y181 WeakPolarHBondContact OD2-CE2 3.24Å; D176-Y181 PolarHBondContact OD2-OH 2.87Å; D176-Y181 VanDerWaalsContact OD2-OH 3.14Å; Y181-K192 HydrophobicContact CD1-CD 4.46Å; Y181-K192 VanDerWaalsContact CD1-CE 3.47Å; Y181-K192 HydrophobicContact CD1-CG 4.15Å; Y181-K192 VanDerWaalsContact CE1-CE 3.44Å; Y181-E193 CarbonylContact C-O 3.49Å; Y181-E193 WeakPolarHBondContact CA-O 3.48Å; Y181-I194 HydrophobicContact CD1-CG1 3.61Å; Y181-I194 HydrophobicContact CE1-CD1 3.85Å; Y181-I194 HydrophobicContact CE1-CG1 3.2Å; Y181-I194 HydrophobicContact CG-CG1 4.45Å; Y181-W227 HydrophobicContact CD1-CZ3 4.48Å; Y181-W227 HydrophobicContact CE1-CH2 4.39Å; Y181-W227 HydrophobicContact CE1-CZ3 4.06Å
182	S	98.1	Very high	96.7	Very high	16 Å²	16	59 Å²	59	11%	0.112	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	139.4	164.5	-159.7	0	0	0	0	109.9	N173 E193	N173-S182 WeakPolarHBondContact OD1-CA 3.05Å; N173-S182 VanDerWaalsContact OD1-CB 3.28Å; N173-S182 WeakPolarHBondContact OD1-CB 3.15Å; N173-S182 PolarHBondContact OD1-OG 2.89Å; S182-E193 PolarHBondContact N-O 2.73Å; S182-E193 PolarHBondContact O-N 2.78Å
183	C	98.3	Very high	96.7	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.007	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	108.9	173.7	-168.9	0	0	0	0	109.6	C161 V168 F170 G171 K172 V191	C161-C183 HydrophobicContact CB-CB 3.73Å; C161-C183 WeakPolarHBondContact CB-SG 3.42Å; C161-C183 PolarHBondContact N-SG 3.27Å; C161-C183 WeakPolarHBondContact SG-CB 3.3Å; C161-C183 CovalentContact SG-SG 2.04Å; C161-C183 PolarHBondContact SG-SG 3.45Å; V168-C183 HydrophobicContact CB-CB 4.38Å; V168-C183 HydrophobicContact CG1-CB 3.98Å; V168-C183 PolarHBondContact O-SG 2.89Å; F170-C183 WeakPolarHBondContact CA-O 3.34Å; G171-C183 PolarHBondContact N-O 3.39Å; K172-C183 PolarHBondContact O-N 2.98Å; K172-C183 VanDerWaalsContact O-N 3.1Å; C183-V191 WeakPolarHBondContact CA-O 3.37Å
184	T	97.7	Very high	96.7	Very high	41 Å²	41	50.4 Å²	50.4	25%	0.252	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	149.3	-176.1	64.5	0	0	0	0	112.7	N186 V190 V191	T184-N186 PolarHBondContact OG1-OD1 3.16Å; T184-V190 CarbonylContact O-C 3.48Å; T184-V190 WeakPolarHBondContact O-CA 3.47Å; T184-V191 PolarHBondContact N-O 2.8Å; T184-V191 PolarHBondContact O-N 2.77Å
185	E	96.1	Very high	96.7	Very high	96 Å²	96	52.1 Å²	52.1	45%	0.449	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	107.5	172.8	-176.9	168.5	-137.3	0	0	109.3	F170 V190 N231	F170-E185 HydrophobicContact CB-CB 4.39Å; F170-E185 HydrophobicContact CD2-CB 4.02Å; F170-E185 HydrophobicContact CG-CB 4.2Å; E185-V190 HydrophobicContact CB-CG2 4.2Å; E185-V190 HydrophobicContact CG-CG2 4.13Å; E185-N231 PolarHBondContact OE1-ND2 3.41Å
186	N	94.6	Very high	96.8	Very high	92 Å²	92	50.1 Å²	50.1	49%	0.492	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	76.5	-176.8	-66.5	-12.3	0	0	0	109.3	T184 E188 E189	T184-N186 PolarHBondContact OG1-OD1 3.16Å; N186-E188 PolarHBondContact O-N 2.85Å; N186-E189 WeakPolarHBondContact CA-O 3.45Å; N186-E189 PolarHBondContact N-O 2.86Å; N186-E189 PolarHBondContact O-N 2.03Å
187	G	92.4	Very high	96.9	Very high	68 Å²	68	48.3 Å²	48.3	70%	0.701	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.4	-115.8	-178.7	0	0	0	0	0	112.1	E189	G187-E189 VanDerWaalsContact C-N 3.3Å
188	E	92.3	Very high	97	Very high	118 Å²	118	42.9 Å²	42.9	55%	0.551	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.1	1.6	173.8	-68.5	-156.8	167.4	0	0	113.7	N186 R230 N231	N186-E188 PolarHBondContact O-N 2.85Å; E188-R230 CarbonylContact O-C 3.58Å; E188-R230 WeakPolarHBondContact O-CA 3.49Å; E188-N231 PolarHBondContact O-N 3.45Å
189	E	94.8	Very high	97.1	Very high	57 Å²	57	38.6 Å²	38.6	27%	0.266	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	122.9	-173.5	-53.4	-157.9	145.3	0	0	112.4	N186 G187 V228 R230	N186-E189 WeakPolarHBondContact CA-O 3.45Å; N186-E189 PolarHBondContact N-O 2.86Å; N186-E189 PolarHBondContact O-N 2.03Å; G187-E189 VanDerWaalsContact C-N 3.3Å; E189-V228 HydrophobicContact CB-CG1 3.83Å; E189-V228 HydrophobicContact CG-CG1 4.33Å; E189-V228 WeakPolarHBondContact OE2-CG1 3.38Å; E189-R230 HydrophobicContact CG-CG 4.13Å; E189-R230 IonicContact OE1-CZ 2.76Å; E189-R230 IonicContact OE1-NE 2.68Å; E189-R230 PolarHBondContact OE1-NE 3.14Å; E189-R230 IonicContact OE1-NH2 2.64Å; E189-R230 PolarHBondContact OE1-NH2 2.77Å
190	V	96.1	Very high	97	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	133.6	168.3	170.1	0	0	0	0	108.7	F142 V158 F170 T184 E185 V228 R229 N231	F142-V190 HydrophobicContact CD1-CG1 4.15Å; F142-V190 HydrophobicContact CE1-CG1 3.95Å; V158-V190 HydrophobicContact CB-CB 4.44Å; V158-V190 HydrophobicContact CB-CG2 4.17Å; V158-V190 HydrophobicContact CG1-CB 4.03Å; V158-V190 HydrophobicContact CG1-CG1 3.9Å; V158-V190 HydrophobicContact CG1-CG2 4.1Å; F170-V190 HydrophobicContact CD1-CG1 4.14Å; F170-V190 HydrophobicContact CD1-CG2 4.33Å; F170-V190 HydrophobicContact CE1-CB 4.34Å; F170-V190 HydrophobicContact CE1-CG1 3.62Å; F170-V190 HydrophobicContact CE1-CG2 3.7Å; F170-V190 HydrophobicContact CE2-CG2 4.09Å; F170-V190 HydrophobicContact CZ-CG1 4.29Å; F170-V190 HydrophobicContact CZ-CG2 3.55Å; T184-V190 CarbonylContact O-C 3.48Å; T184-V190 WeakPolarHBondContact O-CA 3.47Å; E185-V190 HydrophobicContact CB-CG2 4.2Å; E185-V190 HydrophobicContact CG-CG2 4.13Å; V190-V228 WeakPolarHBondContact O-CA 3.11Å; V190-R229 PolarHBondContact N-O 3.35Å; V190-R229 PolarHBondContact O-N 2.81Å; V190-N231 HydrophobicContact CG2-CB 3.92Å
191	V	97.5	Very high	96.9	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.012	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	121.8	-175	-174	0	0	0	0	109.3	C183 T184 E193 R226 W227 V228	C183-V191 WeakPolarHBondContact CA-O 3.37Å; T184-V191 PolarHBondContact N-O 2.8Å; T184-V191 PolarHBondContact O-N 2.77Å; V191-E193 HydrophobicContact CG1-CB 4.12Å; V191-R226 HydrophobicContact CG1-CG 3.74Å; V191-W227 WeakPolarHBondContact CA-O 3.49Å; V191-V228 HydrophobicContact CG1-CG2 4.34Å; V191-V228 HydrophobicContact CG2-CG1 4.37Å; V191-V228 HydrophobicContact CG2-CG2 4.21Å
192	K	98	Very high	96.9	Very high	14 Å²	14	50.3 Å²	50.3	6%	0.061	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	124	159.7	178.3	-175.9	169.1	176.9	0	106.6	H141 F142 C161 I162 Y181 R226 W227	H141-K192 HydrophobicContact CB-CD 4.22Å; F142-K192 HydrophobicContact CE1-CB 4.17Å; F142-K192 HydrophobicContact CZ-CB 4.34Å; C161-K192 HydrophobicContact CB-CB 4.15Å; C161-K192 HydrophobicContact CB-CD 4.49Å; C161-K192 HydrophobicContact CB-CG 4.28Å; I162-K192 VanDerWaalsContact O-CE 3.3Å; I162-K192 WeakPolarHBondContact O-CE 3.43Å; I162-K192 PolarHBondContact O-NZ 3.33Å; Y181-K192 HydrophobicContact CD1-CD 4.46Å; Y181-K192 VanDerWaalsContact CD1-CE 3.47Å; Y181-K192 HydrophobicContact CD1-CG 4.15Å; Y181-K192 VanDerWaalsContact CE1-CE 3.44Å; K192-R226 WeakPolarHBondContact O-CA 3.39Å; K192-W227 HydrophobicContact CB-CB 4.44Å; K192-W227 HydrophobicContact CB-CE3 4.14Å; K192-W227 HydrophobicContact CD-CD2 4.49Å; K192-W227 HydrophobicContact CD-CE3 3.8Å; K192-W227 HydrophobicContact CD-CZ3 4.2Å; K192-W227 HydrophobicContact CG-CE3 3.78Å; K192-W227 HydrophobicContact CG-CZ3 4.21Å; K192-W227 PolarHBondContact N-O 3.3Å; K192-W227 PolarHBondContact O-N 2.93Å
193	E	98.2	Very high	96.9	Very high	42 Å²	42	52.7 Å²	52.7	20%	0.196	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	125.4	-179.1	-172.4	169.3	-128.1	0	0	110.3	Y181 S182 V191 K195 R226	Y181-E193 CarbonylContact C-O 3.49Å; Y181-E193 WeakPolarHBondContact CA-O 3.48Å; S182-E193 PolarHBondContact N-O 2.73Å; S182-E193 PolarHBondContact O-N 2.78Å; V191-E193 HydrophobicContact CG1-CB 4.12Å; E193-K195 HydrophobicContact CG-CD 4.25Å; E193-K195 PolarHBondContact O-N 3.24Å; E193-K195 VanDerWaalsContact OE2-CE 3.29Å; E193-K195 WeakPolarHBondContact OE2-CE 3.23Å; E193-K195 IonicContact OE2-NZ 2.63Å; E193-K195 PolarHBondContact OE2-NZ 2.89Å; E193-R226 HydrophobicContact CB-CG 4.32Å; E193-R226 HydrophobicContact CG-CB 4.17Å; E193-R226 HydrophobicContact CG-CG 4.26Å; E193-R226 WeakPolarHBondContact OE1-CD 3.41Å; E193-R226 IonicContact OE1-NH1 2.67Å
194	I	98.3	Very high	96.9	Very high	5 Å²	5	54.9 Å²	54.9	3%	0.026	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	123	163.8	-64.4	167	0	0	0	106.9	Y179 Y181 L221 P222 S225 W227	Y179-I194 HydrophobicContact CD1-CD1 4.49Å; Y179-I194 HydrophobicContact CD1-CG2 3.81Å; Y179-I194 HydrophobicContact CD2-CD1 4.41Å; Y179-I194 HydrophobicContact CG-CD1 4.2Å; Y179-I194 HydrophobicContact CG-CG2 4.1Å; Y181-I194 HydrophobicContact CD1-CG1 3.61Å; Y181-I194 HydrophobicContact CE1-CD1 3.85Å; Y181-I194 HydrophobicContact CE1-CG1 3.2Å; Y181-I194 HydrophobicContact CG-CG1 4.45Å; I194-L221 HydrophobicContact CG2-CD1 4.17Å; I194-L221 HydrophobicContact CG2-CD2 3.57Å; I194-L221 HydrophobicContact CG2-CG 4.35Å; I194-P222 HydrophobicContact CD1-CG 3.51Å; I194-S225 PolarHBondContact N-O 3.48Å; I194-W227 HydrophobicContact CD1-CH2 3.82Å; I194-W227 HydrophobicContact CD1-CZ3 4.2Å; I194-W227 HydrophobicContact CG1-CH2 4.21Å; I194-W227 HydrophobicContact CG1-CZ3 4.07Å
195	K	98.3	Very high	96.9	Very high	78 Å²	78	57.4 Å²	57.4	34%	0.339	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	-23	178.4	-65.8	-62.7	-164	177.3	0	112.5	W180 E193	W180-K195 HydrophobicContact CD2-CB 3.85Å; W180-K195 HydrophobicContact CE3-CB 3.78Å; W180-K195 HydrophobicContact CE3-CG 4.16Å; W180-K195 HydrophobicContact CH2-CB 3.28Å; W180-K195 HydrophobicContact CH2-CG 3.73Å; W180-K195 HydrophobicContact CZ2-CB 3.31Å; W180-K195 HydrophobicContact CZ2-CG 4.27Å; W180-K195 HydrophobicContact CZ3-CB 3.51Å; W180-K195 HydrophobicContact CZ3-CG 3.65Å; W180-K195 PolarHBondContact O-N 3.11Å; E193-K195 HydrophobicContact CG-CD 4.25Å; E193-K195 PolarHBondContact O-N 3.24Å; E193-K195 VanDerWaalsContact OE2-CE 3.29Å; E193-K195 WeakPolarHBondContact OE2-CE 3.23Å; E193-K195 IonicContact OE2-NZ 2.63Å; E193-K195 PolarHBondContact OE2-NZ 2.89Å
196	G	98.3	Very high	97	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.9	-176.8	-171.8	0	0	0	0	0	112.8	Y179 W180 Y204	Y179-G196 WeakPolarHBondContact CA-O 3.33Å; W180-G196 PolarHBondContact N-O 3.31Å; W180-G196 VanDerWaalsContact NE1-CA 3.34Å; G196-Y204 CarbonylContact C-O 3.57Å; G196-Y204 WeakPolarHBondContact CA-O 3.2Å
197	C	98.4	Very high	97.1	Very high	3 Å²	3	56.1 Å²	56.1	2%	0.02	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	152.3	-179.4	-50.5	0	0	0	0	110.7	Q178 Y204 Y210 C219	Q178-C197 CarbonylContact O-C 3.57Å; Q178-C197 VanDerWaalsContact O-CA 3.31Å; Q178-C197 WeakPolarHBondContact O-CA 3.34Å; C197-Y204 PolarHBondContact N-O 2.96Å; C197-Y204 PolarHBondContact O-N 3.08Å; C197-Y210 HydrophobicContact CB-CE1 4.29Å; C197-C219 HydrophobicContact CB-CB 3.83Å; C197-C219 WeakPolarHBondContact CB-SG 3.36Å; C197-C219 PolarHBondContact N-SG 3.49Å; C197-C219 WeakPolarHBondContact SG-CA 3.5Å; C197-C219 WeakPolarHBondContact SG-CB 3.46Å; C197-C219 CovalentContact SG-SG 2.04Å; C197-C219 PolarHBondContact SG-SG 2.94Å
198	F	98.2	Very high	97.4	Very high	41 Å²	41	56.1 Å²	56.1	18%	0.18	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	125	177.9	-167.6	-106.2	0	0	0	109.5	S175 D176 Q178 W180 N201 T202	S175-F198 WeakPolarHBondContact OG-CE1 3.49Å; S175-F198 VanDerWaalsContact OG-CZ 3.31Å; S175-F198 WeakPolarHBondContact OG-CZ 3.18Å; D176-F198 WeakPolarHBondContact O-CD1 3.26Å; Q178-F198 PolarHBondContact O-N 2.86Å; W180-F198 HydrophobicContact CB-CB 4.48Å; W180-F198 HydrophobicContact CB-CD2 4.43Å; F198-N201 HydrophobicContact CZ-CB 4.48Å; F198-T202 WeakPolarHBondContact CA-O 3.38Å
199	H	98.2	Very high	97.7	Very high	33 Å²	33	55.3 Å²	55.3	15%	0.153	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	137.7	176.6	-167	58.7	0	0	0	110.1	N201 T202 Y204 Y210 S211	H199-N201 VanDerWaalsContact C-N 3.29Å; H199-N201 PolarHBondContact O-N 3.06Å; H199-T202 PolarHBondContact N-O 3.13Å; H199-T202 WeakPolarHBondContact O-CA 3.4Å; H199-T202 WeakPolarHBondContact O-CB 3.3Å; H199-T202 PolarHBondContact O-N 3.11Å; H199-Y204 HydrophobicContact CB-CD2 4.48Å; H199-Y204 HydrophobicContact CB-CE2 3.96Å; H199-Y210 HydrophobicContact CB-CD2 3.98Å; H199-Y210 HydrophobicContact CB-CE2 4.12Å; H199-Y210 AromaticContact CD2-CD2 3.84Å; H199-Y210 AromaticContact CG-CD2 4Å; H199-S211 PolarHBondContact CD2-O 2.78Å
200	Q	96.5	Very high	97.8	Very high	143 Å²	143	54.9 Å²	54.9	67%	0.668	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.1	48.1	179.3	-62.7	175.7	44.5	0	0	113.3	T202	Q200-T202 PolarHBondContact O-N 3.06Å; Q200-T202 VanDerWaalsContact O-N 3.1Å; Q200-T202 PolarHBondContact O-OG1 3.39Å
201	N	96.9	Very high	97.9	Very high	142 Å²	142	58 Å²	58	76%	0.759	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.3	17.4	-176.5	-163.1	54.8	0	0	0	115.3	F198 H199	F198-N201 HydrophobicContact CZ-CB 4.48Å; H199-N201 VanDerWaalsContact C-N 3.29Å; H199-N201 PolarHBondContact O-N 3.06Å
202	T	97.7	Very high	97.9	Very high	65 Å²	65	62.1 Å²	62.1	40%	0.399	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	133.8	-179.6	-56.5	0	0	0	0	110.2	F198 H199 Q200 Y204	F198-T202 WeakPolarHBondContact CA-O 3.38Å; H199-T202 PolarHBondContact N-O 3.13Å; H199-T202 WeakPolarHBondContact O-CA 3.4Å; H199-T202 WeakPolarHBondContact O-CB 3.3Å; H199-T202 PolarHBondContact O-N 3.11Å; Q200-T202 PolarHBondContact O-N 3.06Å; Q200-T202 VanDerWaalsContact O-N 3.1Å; Q200-T202 PolarHBondContact O-OG1 3.39Å; T202-Y204 HydrophobicContact CG2-CD2 4.43Å; T202-Y204 HydrophobicContact CG2-CE1 4.02Å; T202-Y204 HydrophobicContact CG2-CE2 3.78Å; T202-Y204 WeakPolarHBondContact O-CD2 3.39Å; T202-Y204 WeakPolarHBondContact O-CE2 3.26Å
203	S	98	Very high	97.8	Very high	66 Å²	66	68.3 Å²	68.3	46%	0.462	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	120.9	176.6	58	0	0	0	0	111.2
204	Y	98.5	Very high	97.7	Very high	46 Å²	46	69.4 Å²	69.4	18%	0.18	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	141.9	179	-60.4	-85.6	0	0	0	109.9	W180 G196 C197 H199 T202 D208 Y210	W180-Y204 PolarHBondContact NE1-O 2.91Å; G196-Y204 CarbonylContact C-O 3.57Å; G196-Y204 WeakPolarHBondContact CA-O 3.2Å; C197-Y204 PolarHBondContact N-O 2.96Å; C197-Y204 PolarHBondContact O-N 3.08Å; H199-Y204 HydrophobicContact CB-CD2 4.48Å; H199-Y204 HydrophobicContact CB-CE2 3.96Å; T202-Y204 HydrophobicContact CG2-CD2 4.43Å; T202-Y204 HydrophobicContact CG2-CE1 4.02Å; T202-Y204 HydrophobicContact CG2-CE2 3.78Å; T202-Y204 WeakPolarHBondContact O-CD2 3.39Å; T202-Y204 WeakPolarHBondContact O-CE2 3.26Å; Y204-D208 HydrophobicContact CD1-CB 4.28Å; Y204-Y210 HydrophobicContact CD2-CD1 4.43Å; Y204-Y210 HydrophobicContact CD2-CG 4.33Å; Y204-Y210 HydrophobicContact CE2-CG 4.3Å; Y204-Y210 HydrophobicContact CG-CD1 4.38Å; Y204-Y210 VanDerWaalsContact CZ-CB 3.48Å
205	Q	98	Very high	97.7	Very high	95 Å²	95	72.9 Å²	72.9	44%	0.444	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	165.2	174.6	-53.4	-60.8	-29.6	0	0	111.2	G207 D208 C219	Q205-G207 PolarHBondContact O-N 3.04Å; Q205-D208 WeakPolarHBondContact CB-OD2 3.17Å; Q205-D208 PolarHBondContact N-OD2 3.09Å; Q205-D208 WeakPolarHBondContact O-CB 3.21Å; Q205-D208 PolarHBondContact O-N 2.85Å; Q205-C219 VanDerWaalsContact O-CB 3.22Å; Q205-C219 WeakPolarHBondContact O-CB 3.45Å; Q205-C219 PolarHBondContact O-SG 3.39Å; Q205-C219 VanDerWaalsContact O-SG 3.39Å
206	L	97.7	Very high	97.7	Very high	115 Å²	115	74 Å²	74	60%	0.602	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	120.4	170.5	174.4	57.9	0	0	0	110.8	L221	L206-L221 HydrophobicContact CD1-CG 4.23Å
207	G	97.8	Very high	97.7	Very high	46 Å²	46	77.4 Å²	77.4	47%	0.474	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.8	-14.3	-177.8	0	0	0	0	0	115.5	Q205 C219	Q205-G207 PolarHBondContact O-N 3.04Å; G207-C219 PolarHBondContact N-O 2.9Å
208	D	98.3	Very high	97.6	Very high	68 Å²	68	82 Å²	82	36%	0.364	46%	0.464	S	S	.	.			trans	-64.8	145.8	175.1	-74.5	-9.7	0	0	0	111	Y204 Q205 C219	Y204-D208 HydrophobicContact CD1-CB 4.28Å; Q205-D208 WeakPolarHBondContact CB-OD2 3.17Å; Q205-D208 PolarHBondContact N-OD2 3.09Å; Q205-D208 WeakPolarHBondContact O-CB 3.21Å; Q205-D208 PolarHBondContact O-N 2.85Å; D208-C219 WeakPolarHBondContact O-CB 3.41Å; D208-C219 PolarHBondContact O-N 3.37Å
209	T	98.2	Very high	97.7	Very high	101 Å²	101	80.1 Å²	80.1	62%	0.62	46%	0.456	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.4	140.3	172.3	46	0	0	0	0	112.2	H217 I218	T209-H217 CarbonylContact C-O 3.57Å; T209-H217 VanDerWaalsContact CA-O 3.26Å; T209-H217 WeakPolarHBondContact CA-O 3.02Å; T209-I218 HydrophobicContact CG2-CG1 3.88Å
210	Y	97.7	Very high	97.7	Very high	47 Å²	47	85.2 Å²	85.2	18%	0.184	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	150.7	173.3	66.5	-87.1	0	0	0	110.6	C197 H199 Y204 K212 H217 C219	C197-Y210 HydrophobicContact CB-CE1 4.29Å; H199-Y210 HydrophobicContact CB-CD2 3.98Å; H199-Y210 HydrophobicContact CB-CE2 4.12Å; H199-Y210 AromaticContact CD2-CD2 3.84Å; H199-Y210 AromaticContact CG-CD2 4Å; Y204-Y210 HydrophobicContact CD2-CD1 4.43Å; Y204-Y210 HydrophobicContact CD2-CG 4.33Å; Y204-Y210 HydrophobicContact CE2-CG 4.3Å; Y204-Y210 HydrophobicContact CG-CD1 4.38Å; Y204-Y210 VanDerWaalsContact CZ-CB 3.48Å; Y210-K212 HydrophobicContact CD2-CB 4.41Å; Y210-K212 HydrophobicContact CE2-CB 4.19Å; Y210-H217 HydrophobicContact CD1-CB 4.25Å; Y210-H217 HydrophobicContact CD2-CB 4.3Å; Y210-H217 HydrophobicContact CE1-CB 3.82Å; Y210-H217 HydrophobicContact CE2-CB 3.88Å; Y210-H217 HydrophobicContact CG-CB 4.47Å; Y210-H217 PolarHBondContact N-O 2.97Å; Y210-H217 PolarHBondContact O-N 3.06Å; Y210-C219 HydrophobicContact CE1-CB 4.33Å
211	S	97.2	Very high	97.7	Very high	66 Å²	66	80.4 Å²	80.4	46%	0.462	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	130.7	173.6	-170.6	0	0	0	0	110.2	H199 V215	H199-S211 PolarHBondContact CD2-O 2.78Å; S211-V215 WeakPolarHBondContact CA-O 3.06Å
212	K	96.7	Very high	97.7	Very high	88 Å²	88	75.9 Å²	75.9	38%	0.383	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	126.9	168.8	173.9	177.1	175.9	-177.4	0	107.6	Y210 G214 V215	Y210-K212 HydrophobicContact CD2-CB 4.41Å; Y210-K212 HydrophobicContact CE2-CB 4.19Å; K212-G214 PolarHBondContact O-N 2.9Å; K212-V215 PolarHBondContact N-O 2.59Å; K212-V215 PolarHBondContact O-N 2.73Å
213	D	96.7	Very high	97.5	Very high	144 Å²	144	79.7 Å²	79.7	77%	0.77	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	31.9	178.6	-48.8	-40.9	0	0	0	113.4	V215	D213-V215 VanDerWaalsContact C-N 3.31Å; D213-V215 PolarHBondContact O-N 2.74Å
214	G	96.7	Very high	97.4	Very high	65 Å²	65	80.1 Å²	80.1	67%	0.67	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.3	-13.9	-176.5	0	0	0	0	0	115.4	K212	K212-G214 PolarHBondContact O-N 2.9Å
215	V	97.9	Very high	97.3	Very high	78 Å²	78	79.8 Å²	79.8	47%	0.473	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	134.8	-179.1	-177.1	0	0	0	0	110.5	S211 K212 D213 H217	S211-V215 WeakPolarHBondContact CA-O 3.06Å; K212-V215 PolarHBondContact N-O 2.59Å; K212-V215 PolarHBondContact O-N 2.73Å; D213-V215 VanDerWaalsContact C-N 3.31Å; D213-V215 PolarHBondContact O-N 2.74Å; V215-H217 PolarHBondContact O-CD2 3.27Å
216	P	97.7	Very high	97.2	Very high	102 Å²	102	80.9 Å²	80.9	66%	0.662	47%	0.466	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.9	121.6	171.5	30.5	-32.6	0	0	0	111
217	H	98	Very high	97.2	Very high	72 Å²	72	77.8 Å²	77.8	33%	0.333	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	146.6	171.3	-67.8	-94.9	0	0	0	110.1	T209 Y210 V215	T209-H217 CarbonylContact C-O 3.57Å; T209-H217 VanDerWaalsContact CA-O 3.26Å; T209-H217 WeakPolarHBondContact CA-O 3.02Å; Y210-H217 HydrophobicContact CD1-CB 4.25Å; Y210-H217 HydrophobicContact CD2-CB 4.3Å; Y210-H217 HydrophobicContact CE1-CB 3.82Å; Y210-H217 HydrophobicContact CE2-CB 3.88Å; Y210-H217 HydrophobicContact CG-CB 4.47Å; Y210-H217 PolarHBondContact N-O 2.97Å; Y210-H217 PolarHBondContact O-N 3.06Å; V215-H217 PolarHBondContact O-CD2 3.27Å
218	I	98.1	Very high	97.2	Very high	100 Å²	100	78.6 Å²	78.6	51%	0.513	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	132.9	168.1	-62.5	168.4	0	0	0	107.4	T209 Q220	T209-I218 HydrophobicContact CG2-CG1 3.88Å; I218-Q220 HydrophobicContact CG2-CG 4.49Å; I218-Q220 PolarHBondContact O-N 2.74Å
219	C	98.5	Very high	96.9	Very high	1 Å²	1	77.9 Å²	77.9	1%	0.007	43%	0.434	C	S	.	.			trans	-67.6	119.5	174.1	177.4	0	0	0	0	111.1	C197 Q205 G207 D208 Y210	C197-C219 HydrophobicContact CB-CB 3.83Å; C197-C219 WeakPolarHBondContact CB-SG 3.36Å; C197-C219 PolarHBondContact N-SG 3.49Å; C197-C219 WeakPolarHBondContact SG-CA 3.5Å; C197-C219 WeakPolarHBondContact SG-CB 3.46Å; C197-C219 CovalentContact SG-SG 2.04Å; C197-C219 PolarHBondContact SG-SG 2.94Å; Q205-C219 VanDerWaalsContact O-CB 3.22Å; Q205-C219 WeakPolarHBondContact O-CB 3.45Å; Q205-C219 PolarHBondContact O-SG 3.39Å; Q205-C219 VanDerWaalsContact O-SG 3.39Å; G207-C219 PolarHBondContact N-O 2.9Å; D208-C219 WeakPolarHBondContact O-CB 3.41Å; D208-C219 PolarHBondContact O-N 3.37Å; Y210-C219 HydrophobicContact CE1-CB 4.33Å
220	Q	98.1	Very high	96.6	Very high	139 Å²	139	79.4 Å²	79.4	65%	0.65	43%	0.428	S	S	*	.			trans	-126.8	144.8	175.7	-64	-176.8	-2.2	0	0	108.8	I218	I218-Q220 HydrophobicContact CG2-CG 4.49Å; I218-Q220 PolarHBondContact O-N 2.74Å
221	L	97.3	Very high	95.8	Very high	42 Å²	42	78.1 Å²	78.1	22%	0.22	42%	0.424	C	S	.	.			trans	-100.4	143.9	-179	-57.4	-168.9	0	0	0	111.3	Y179 I194 L206	Y179-L221 HydrophobicContact CD1-CD2 4.38Å; I194-L221 HydrophobicContact CG2-CD1 4.17Å; I194-L221 HydrophobicContact CG2-CD2 3.57Å; I194-L221 HydrophobicContact CG2-CG 4.35Å; L206-L221 HydrophobicContact CD1-CG 4.23Å
222	P	96.4	Very high	94.4	Very high	48 Å²	48	79.1 Å²	79.1	31%	0.312	42%	0.418	S	S	.	.			trans	-69	160.7	173.7	31.5	-36.3	0	0	0	110.9	Y179 I194 P224 S225	Y179-P222 HydrophobicContact CE1-CG 4.44Å; Y179-P222 HydrophobicContact CE2-CG 4.45Å; I194-P222 HydrophobicContact CD1-CG 3.51Å; P222-P224 CarbonylContact O-C 3.53Å; P222-P224 VanDerWaalsContact O-C 3.26Å; P222-S225 WeakPolarHBondContact O-CA 3.32Å; P222-S225 WeakPolarHBondContact O-CB 3.37Å; P222-S225 PolarHBondContact O-N 2.83Å; P222-S225 VanDerWaalsContact O-N 3.1Å
223	V	94.7	Very high	93	Very high	145 Å²	145	83.3 Å²	83.3	88%	0.879	44%	0.436	S	S	*	.	S	Bend	trans	-113.5	120.3	173.5	-178.3	0	0	0	0	108.4
224	P	95.2	Very high	91.1	Very high	75 Å²	75	81 Å²	81	49%	0.487	42%	0.421	S	S	.	.	S	Bend	cis	-75.8	143.9	-1	32.4	-35.4	0	0	0	113.2	P222 W227	P222-P224 CarbonylContact O-C 3.53Å; P222-P224 VanDerWaalsContact O-C 3.26Å; P224-W227 HydrophobicContact CG-CZ2 4.4Å; P224-W227 WeakPolarHBondContact O-CZ2 3.33Å
225	S	95.8	Very high	89.5	Confident	39 Å²	39	83.2 Å²	83.2	27%	0.273	41%	0.412	S	S	.	.			trans	-92.4	-9.2	170.7	56.1	0	0	0	0	113.3	I194 P222	I194-S225 PolarHBondContact N-O 3.48Å; P222-S225 WeakPolarHBondContact O-CA 3.32Å; P222-S225 WeakPolarHBondContact O-CB 3.37Å; P222-S225 PolarHBondContact O-N 2.83Å; P222-S225 VanDerWaalsContact O-N 3.1Å
226	R	97.4	Very high	87.8	Confident	118 Å²	118	82.3 Å²	82.3	45%	0.445	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	132.4	-170.2	-179.9	-179	168	171.2	-8.5	111.3	V191 K192 E193 V228	V191-R226 HydrophobicContact CG1-CG 3.74Å; K192-R226 WeakPolarHBondContact O-CA 3.39Å; E193-R226 HydrophobicContact CB-CG 4.32Å; E193-R226 HydrophobicContact CG-CB 4.17Å; E193-R226 HydrophobicContact CG-CG 4.26Å; E193-R226 WeakPolarHBondContact OE1-CD 3.41Å; E193-R226 IonicContact OE1-NH1 2.67Å; R226-V228 HydrophobicContact CG-CG2 4.16Å
227	W	97.7	Very high	86	Confident	50 Å²	50	82.9 Å²	82.9	19%	0.189	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	134.8	174.8	-53.5	-93.1	0	0	0	109.4	H141 F142 Y181 V191 K192 I194 P224	H141-W227 AromaticContact CD2-CD1 3.2Å; H141-W227 AromaticContact CD2-CG 3.54Å; H141-W227 AromaticContact CD2-NE1 3.74Å; H141-W227 AromaticContact CE1-CD1 3.8Å; H141-W227 AromaticContact CE1-CE2 3.97Å; H141-W227 AromaticContact CE1-NE1 3.51Å; H141-W227 AromaticContact NE2-CD1 3.02Å; H141-W227 AromaticContact NE2-CE2 3.95Å; H141-W227 AromaticContact NE2-CG 3.76Å; H141-W227 AromaticContact NE2-NE1 3.11Å; H141-W227 PolarHBondContact NE2-NE1 2.85Å; H141-W227 VanDerWaalsContact NE2-NE1 3.11Å; F142-W227 HydrophobicContact CE2-CB 4.37Å; F142-W227 HydrophobicContact CZ-CB 4.15Å; Y181-W227 HydrophobicContact CD1-CZ3 4.48Å; Y181-W227 HydrophobicContact CE1-CH2 4.39Å; Y181-W227 HydrophobicContact CE1-CZ3 4.06Å; V191-W227 WeakPolarHBondContact CA-O 3.49Å; K192-W227 HydrophobicContact CB-CB 4.44Å; K192-W227 HydrophobicContact CB-CE3 4.14Å; K192-W227 HydrophobicContact CD-CD2 4.49Å; K192-W227 HydrophobicContact CD-CE3 3.8Å; K192-W227 HydrophobicContact CD-CZ3 4.2Å; K192-W227 HydrophobicContact CG-CE3 3.78Å; K192-W227 HydrophobicContact CG-CZ3 4.21Å; K192-W227 PolarHBondContact N-O 3.3Å; K192-W227 PolarHBondContact O-N 2.93Å; I194-W227 HydrophobicContact CD1-CH2 3.82Å; I194-W227 HydrophobicContact CD1-CZ3 4.2Å; I194-W227 HydrophobicContact CG1-CH2 4.21Å; I194-W227 HydrophobicContact CG1-CZ3 4.07Å; P224-W227 HydrophobicContact CG-CZ2 4.4Å; P224-W227 WeakPolarHBondContact O-CZ2 3.33Å
228	V	96.2	Very high	84.3	Confident	62 Å²	62	79.7 Å²	79.7	38%	0.376	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	126.2	-176.9	-175.5	0	0	0	0	108.7	E189 V190 V191 R226	E189-V228 HydrophobicContact CB-CG1 3.83Å; E189-V228 HydrophobicContact CG-CG1 4.33Å; E189-V228 WeakPolarHBondContact OE2-CG1 3.38Å; V190-V228 WeakPolarHBondContact O-CA 3.11Å; V191-V228 HydrophobicContact CG1-CG2 4.34Å; V191-V228 HydrophobicContact CG2-CG1 4.37Å; V191-V228 HydrophobicContact CG2-CG2 4.21Å; R226-V228 HydrophobicContact CG-CG2 4.16Å
229	R	93.8	Very high	82.5	Confident	54 Å²	54	76.7 Å²	76.7	20%	0.204	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	125.4	172.7	-171.1	165.7	-175.2	127.5	3.5	108.9	N104 F142 L144 V158 V190 N231	N104-R229 PolarHBondContact OD1-NH2 2.81Å; F142-R229 HydrophobicContact CD1-CB 4.4Å; F142-R229 HydrophobicContact CD2-CB 3.74Å; F142-R229 HydrophobicContact CD2-CG 4.28Å; F142-R229 HydrophobicContact CE1-CB 4.15Å; F142-R229 HydrophobicContact CE2-CB 3.45Å; F142-R229 VanDerWaalsContact CE2-CB 3.45Å; F142-R229 HydrophobicContact CE2-CG 4.4Å; F142-R229 HydrophobicContact CG-CB 4.21Å; F142-R229 HydrophobicContact CZ-CB 3.68Å; L144-R229 VanDerWaalsContact CD1-CZ 3.48Å; V158-R229 HydrophobicContact CG2-CG 4.24Å; V190-R229 PolarHBondContact N-O 3.35Å; V190-R229 PolarHBondContact O-N 2.81Å; R229-N231 PolarHBondContact O-N 3.41Å
230	R	90.6	Very high	80.8	Confident	133 Å²	133	80.7 Å²	80.7	50%	0.502	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	119.8	178.3	-57.5	-166.5	162.1	139.7	1.1	109	E188 E189 R232	E188-R230 CarbonylContact O-C 3.58Å; E188-R230 WeakPolarHBondContact O-CA 3.49Å; E189-R230 HydrophobicContact CG-CG 4.13Å; E189-R230 IonicContact OE1-CZ 2.76Å; E189-R230 IonicContact OE1-NE 2.68Å; E189-R230 PolarHBondContact OE1-NE 3.14Å; E189-R230 IonicContact OE1-NH2 2.64Å; E189-R230 PolarHBondContact OE1-NH2 2.77Å; R230-R232 HydrophobicContact CB-CB 4.23Å; R230-R232 HydrophobicContact CB-CG 3.82Å; R230-R232 PolarHBondContact O-N 3.05Å
231	N	81.9	Confident	78.8	Confident	19 Å²	19	76.2 Å²	76.2	10%	0.102	39%	0.39	C	S	.	.			trans	-75.1	58.2	169.3	-166.5	16	0	0	0	109.7	V158 E185 E188 V190 R229 K233	V158-N231 HydrophobicContact CB-CB 4.3Å; V158-N231 HydrophobicContact CG2-CB 4.2Å; V158-N231 PolarHBondContact N-OD1 3.01Å; E185-N231 PolarHBondContact OE1-ND2 3.41Å; E188-N231 PolarHBondContact O-N 3.45Å; V190-N231 HydrophobicContact CG2-CB 3.92Å; R229-N231 PolarHBondContact O-N 3.41Å; N231-K233 PolarHBondContact O-N 3.11Å
232	R	66.4	Low	77.4	Confident	88 Å²	88	78 Å²	78	33%	0.332	40%	0.395	S	S	.	.			trans	-74.3	103.6	-168.1	-108.2	173.4	177.6	-167.8	7.1	109.4	R230 Q234	R230-R232 HydrophobicContact CB-CB 4.23Å; R230-R232 HydrophobicContact CB-CG 3.82Å; R230-R232 PolarHBondContact O-N 3.05Å; R232-Q234 HydrophobicContact CB-CB 4.06Å; R232-Q234 HydrophobicContact CB-CG 4.48Å; R232-Q234 VanDerWaalsContact CD-OE1 3.27Å; R232-Q234 HydrophobicContact CG-CB 4.05Å; R232-Q234 HydrophobicContact CG-CG 3.92Å; R232-Q234 VanDerWaalsContact CZ-CD 3.5Å; R232-Q234 PolarHBondContact O-N 2.76Å
233	K	68.6	Low	76.2	Confident	176 Å²	176	80.4 Å²	80.4	77%	0.765	41%	0.408	S	S	*	.			trans	-65.8	25.5	149.7	-61.5	-176.4	-178.1	178.3	0	112.1	N231 K235	N231-K233 PolarHBondContact O-N 3.11Å; K233-K235 VanDerWaalsContact C-N 3.29Å; K233-K235 PolarHBondContact O-N 3.07Å
234	Q	56.5	Low	74.9	Confident	96 Å²	96	73.9 Å²	73.9	45%	0.449	37%	0.369	S	S	.	.			trans	-66.4	97.1	165.6	-91.3	-168.5	-21.5	0	0	107.7	R232 I236	R232-Q234 HydrophobicContact CB-CB 4.06Å; R232-Q234 HydrophobicContact CB-CG 4.48Å; R232-Q234 VanDerWaalsContact CD-OE1 3.27Å; R232-Q234 HydrophobicContact CG-CB 4.05Å; R232-Q234 HydrophobicContact CG-CG 3.92Å; R232-Q234 VanDerWaalsContact CZ-CD 3.5Å; R232-Q234 PolarHBondContact O-N 2.76Å; Q234-I236 PolarHBondContact O-N 2.77Å
235	K	62.7	Low	73.6	Confident	111 Å²	111	72.6 Å²	72.6	48%	0.483	36%	0.36	S	S	.	.			trans	-48.7	102.3	158.9	166.7	177.3	162	138	0	108.4	D153 K233 I237	D153-K235 HydrophobicContact CB-CD 4.44Å; D153-K235 HydrophobicContact CB-CG 4.24Å; D153-K235 VanDerWaalsContact CG-CE 3.49Å; D153-K235 WeakPolarHBondContact OD1-CD 3.46Å; D153-K235 WeakPolarHBondContact OD1-CE 3.45Å; D153-K235 IonicContact OD1-NZ 3.42Å; D153-K235 PolarHBondContact OD1-NZ 2.62Å; D153-K235 IonicContact OD2-NZ 2.75Å; D153-K235 PolarHBondContact OD2-NZ 3.18Å; K233-K235 VanDerWaalsContact C-N 3.29Å; K233-K235 PolarHBondContact O-N 3.07Å; K235-I237 HydrophobicContact CD-CG1 4.48Å; K235-I237 HydrophobicContact CG-CG1 4.13Å; K235-I237 PolarHBondContact O-N 3.19Å
236	I	63.1	Low	71.8	Confident	58 Å²	58	76 Å²	76	30%	0.297	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	109.3	165.8	-72	166.4	0	0	0	105.2	F105 I120 H152 V154 Q234 S238	F105-I236 HydrophobicContact CD2-CD1 4.22Å; F105-I236 HydrophobicContact CE2-CD1 3.32Å; F105-I236 HydrophobicContact CZ-CD1 3.71Å; I120-I236 HydrophobicContact CD1-CG2 3.94Å; H152-I236 VanDerWaalsContact O-O 3.1Å; V154-I236 PolarHBondContact N-O 2.94Å; V154-I236 PolarHBondContact O-N 3.15Å; V154-I236 VanDerWaalsContact O-N 3.14Å; Q234-I236 PolarHBondContact O-N 2.77Å; I236-S238 PolarHBondContact O-N 2.67Å
237	I	59.9	Low	69.8	Low	114 Å²	114	70.8 Å²	70.8	59%	0.585	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.6	104.4	174.1	-60.2	174.4	0	0	0	106	H152 K235 N239	H152-I237 WeakPolarHBondContact O-CA 3.31Å; K235-I237 HydrophobicContact CD-CG1 4.48Å; K235-I237 HydrophobicContact CG-CG1 4.13Å; K235-I237 PolarHBondContact O-N 3.19Å; I237-N239 PolarHBondContact O-N 2.78Å; I237-N239 VanDerWaalsContact O-N 3.16Å
238	S	61.8	Low	67.4	Low	5 Å²	5	73.9 Å²	73.9	4%	0.035	38%	0.382	C	S	.	.			trans	-72.4	-11.3	-163	64.1	0	0	0	0	115.3	H152 I236	H152-S238 VanDerWaalsContact CA-OG 3.24Å; H152-S238 WeakPolarHBondContact CA-OG 3.46Å; H152-S238 WeakPolarHBondContact CB-OG 3.21Å; H152-S238 PolarHBondContact O-N 3.2Å; H152-S238 PolarHBondContact O-OG 3.16Å; I236-S238 PolarHBondContact O-N 2.67Å
239	N	60.1	Low	64.8	Low	37 Å²	37	74.6 Å²	74.6	20%	0.198	38%	0.381	C	S	.	.			trans	-120.8	94.9	-165.9	-70.8	27.6	0	0	0	111.2	Y117 H152 I237	Y117-N239 WeakPolarHBondContact CD2-ND2 3.43Å; H152-N239 PolarHBondContact CE1-ND2 2.67Å; H152-N239 PolarHBondContact ND1-ND2 3.41Å; H152-N239 VanDerWaalsContact ND1-ND2 3.2Å; H152-N239 PolarHBondContact NE2-ND2 3.02Å; I237-N239 PolarHBondContact O-N 2.78Å; I237-N239 VanDerWaalsContact O-N 3.16Å
240	S	61.7	Low	62.4	Low	85 Å²	85	79.5 Å²	79.5	59%	0.594	40%	0.404	S	S	*	.			trans	-82.3	110.7	144.5	46.8	0	0	0	0	107.7
241	G	57.9	Low	59.7	Low	45 Å²	45	78.8 Å²	78.8	46%	0.464	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	128.8	172.1	0	0	0	0	0	110.4
242	Y	66.3	Low	57.5	Low	81 Å²	81	84.6 Å²	84.6	32%	0.318	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	103.3	164.8	-175.3	-87.2	0	0	0	107.7	S67 V68 Y70 V116 L244	S67-Y242 WeakPolarHBondContact OG-CD2 3.43Å; V68-Y242 HydrophobicContact CG2-CD1 3.99Å; V68-Y242 HydrophobicContact CG2-CG 4.26Å; Y70-Y242 WeakPolarHBondContact OH-CE1 3.35Å; V116-Y242 PolarHBondContact N-O 3.08Å; V116-Y242 PolarHBondContact O-N 2.64Å; V116-Y242 VanDerWaalsContact O-O 3.1Å; Y242-L244 HydrophobicContact CD1-CD2 3.96Å; Y242-L244 HydrophobicContact CE1-CD2 3.98Å; Y242-L244 PolarHBondContact O-N 3.12Å
243	T	72.8	Confident	55.7	Low	98 Å²	98	85.9 Å²	85.9	60%	0.601	46%	0.459	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.5	118.8	170.8	-62.7	0	0	0	0	107.7	T115	T115-T243 PolarHBondContact OG1-OG1 2.68Å; T115-T243 VanDerWaalsContact OG1-OG1 3.13Å
244	L	67.2	Low	54.2	Low	8 Å²	8	86.3 Å²	86.3	4%	0.042	46%	0.463	C	S	.	.	P	Polyproline II helix	trans	-59.6	143.4	176.8	-61.1	177.1	0	0	0	109.1	Y70 V84 M114 V116 Y242	Y70-L244 HydrophobicContact CE1-CD2 3.52Å; Y70-L244 VanDerWaalsContact OH-CD2 3.23Å; Y70-L244 WeakPolarHBondContact OH-CD2 3.43Å; V84-L244 HydrophobicContact CG2-CD1 3.85Å; V84-L244 HydrophobicContact CG2-CD2 4.25Å; M114-L244 WeakPolarHBondContact O-CB 3.49Å; M114-L244 WeakPolarHBondContact O-CD1 3.27Å; M114-L244 WeakPolarHBondContact O-CG 3.03Å; M114-L244 PolarHBondContact O-N 2.75Å; M114-L244 VanDerWaalsContact O-N 3.11Å; V116-L244 HydrophobicContact CG2-CD1 4.15Å; V116-L244 HydrophobicContact CG2-CD2 3.87Å; V116-L244 HydrophobicContact CG2-CG 4.06Å; Y242-L244 HydrophobicContact CD1-CD2 3.96Å; Y242-L244 HydrophobicContact CE1-CD2 3.98Å; Y242-L244 PolarHBondContact O-N 3.12Å
245	P	68.1	Low	53.1	Low	47 Å²	47	85.3 Å²	85.3	31%	0.305	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-54	149.2	161.6	28.5	-36.2	0	0	0	108.2	F52 L53 V247	F52-P245 HydrophobicContact CE2-CG 3.79Å; F52-P245 HydrophobicContact CZ-CG 3.73Å; L53-P245 HydrophobicContact CD2-CG 3.97Å; P245-V247 VanDerWaalsContact C-N 3.3Å; P245-V247 WeakPolarHBondContact O-CG2 3.19Å; P245-V247 PolarHBondContact O-N 3.31Å
246	P	56.9	Low	52	Low	110 Å²	110	87.7 Å²	87.7	71%	0.714	50%	0.497	S	S	*	.			trans	-60.2	85.4	-168.3	20.3	-32.1	0	0	0	113.8	K35 L248	K35-P246 PolarHBondContact NZ-O 3Å; P246-L248 VanDerWaalsContact C-N 3.35Å; P246-L248 PolarHBondContact O-N 3.12Å
247	V	55.2	Low	51.1	Low	9 Å²	9	93.1 Å²	93.1	6%	0.055	53%	0.527	C	S	.	.			trans	-76	93.6	169.3	-172.9	0	0	0	0	106	F52 P245 H249	F52-V247 HydrophobicContact CD2-CG2 4.49Å; F52-V247 HydrophobicContact CE2-CG2 3.5Å; F52-V247 HydrophobicContact CZ-CG2 3.75Å; P245-V247 VanDerWaalsContact C-N 3.3Å; P245-V247 WeakPolarHBondContact O-CG2 3.19Å; P245-V247 PolarHBondContact O-N 3.31Å; V247-H249 PolarHBondContact O-CD2 3.17Å; V247-H249 PolarHBondContact O-N 3.13Å
248	L	46.8	Very low	50.1	Low	116 Å²	116	92.9 Å²	92.9	61%	0.607	54%	0.535	S	S	*	.			trans	-54.8	82.7	159.9	-75.9	167.2	0	0	0	109.5	P246 F250	P246-L248 VanDerWaalsContact C-N 3.35Å; P246-L248 PolarHBondContact O-N 3.12Å; L248-F250 VanDerWaalsContact C-N 3.31Å; L248-F250 HydrophobicContact CB-CD2 4.22Å; L248-F250 HydrophobicContact CB-CE2 3.74Å; L248-F250 HydrophobicContact CB-CZ 3.97Å; L248-F250 HydrophobicContact CD1-CE2 4.43Å; L248-F250 HydrophobicContact CD1-CZ 4Å; L248-F250 HydrophobicContact CG-CZ 4.43Å; L248-F250 WeakPolarHBondContact O-CD2 3.33Å; L248-F250 PolarHBondContact O-N 3.09Å; L248-F250 VanDerWaalsContact O-N 3.11Å
249	H	43.4	Very low	49	Very low	76 Å²	76	98.3 Å²	98.3	35%	0.352	57%	0.573	S	S	.	*			trans	-71.2	92.6	162.8	-72.2	-84.8	0	0	0	105.8	V82 V247 V251	V82-H249 PolarHBondContact O-CE1 3.18Å; V247-H249 PolarHBondContact O-CD2 3.17Å; V247-H249 PolarHBondContact O-N 3.13Å; H249-V251 PolarHBondContact O-N 2.85Å
250	F	43.1	Very low	48.1	Very low	158 Å²	158	103.2 Å²	103.2	69%	0.693	60%	0.604	S	S	*	*			trans	-67.7	80.2	173.2	-68	-79.5	0	0	0	109.8	L248 E252	L248-F250 VanDerWaalsContact C-N 3.31Å; L248-F250 HydrophobicContact CB-CD2 4.22Å; L248-F250 HydrophobicContact CB-CE2 3.74Å; L248-F250 HydrophobicContact CB-CZ 3.97Å; L248-F250 HydrophobicContact CD1-CE2 4.43Å; L248-F250 HydrophobicContact CD1-CZ 4Å; L248-F250 HydrophobicContact CG-CZ 4.43Å; L248-F250 WeakPolarHBondContact O-CD2 3.33Å; L248-F250 PolarHBondContact O-N 3.09Å; L248-F250 VanDerWaalsContact O-N 3.11Å; F250-E252 VanDerWaalsContact C-N 3.28Å; F250-E252 PolarHBondContact O-N 3.47Å
251	V	32.3	Very low	47	Very low	117 Å²	117	104 Å²	104	71%	0.709	62%	0.616	S	S	*	*			trans	-70.1	92	161.9	-179	0	0	0	0	105.8	H249 T253	H249-V251 PolarHBondContact O-N 2.85Å; V251-T253 PolarHBondContact O-N 3.32Å; V251-T253 VanDerWaalsContact O-N 3.11Å
252	E	35.6	Very low	46.1	Very low	142 Å²	142	106.8 Å²	106.8	66%	0.664	64%	0.635	S	S	*	*			trans	-76.8	99.5	-174.9	-168.8	168.3	-103.5	0	0	109.7	K79 F250 E254	K79-E252 IonicContact NZ-OE1 2.69Å; K79-E252 PolarHBondContact NZ-OE1 3.34Å; K79-E252 IonicContact NZ-OE2 3.47Å; K79-E252 PolarHBondContact NZ-OE2 2.04Å; F250-E252 VanDerWaalsContact C-N 3.28Å; F250-E252 PolarHBondContact O-N 3.47Å; E252-E254 PolarHBondContact O-N 2.93Å
253	T	30.1	Very low	45	Very low	115 Å²	115	110.1 Å²	110.1	71%	0.706	66%	0.656	S	S	*	*			trans	-72.5	112.4	175.3	49.7	0	0	0	0	110.4	V251	V251-T253 PolarHBondContact O-N 3.32Å; V251-T253 VanDerWaalsContact O-N 3.11Å
254	E	36.2	Very low	43.4	Very low	184 Å²	184	112.8 Å²	112.8	86%	0.86	67%	0.667	S	S	*	*			trans	50.1	108.3	161.2	-55.5	-164.2	149.5	0	0	117.7	E252 N256	E252-E254 PolarHBondContact O-N 2.93Å; E254-N256 PolarHBondContact O-N 2.8Å
255	G	33.3	Very low	42.2	Very low	75 Å²	75	122.1 Å²	122.1	77%	0.773	70%	0.702	S	S	*	*			trans	-71.8	115.7	177.1	0	0	0	0	0	113	N257	G255-N257 PolarHBondContact O-N 2.79Å
256	N	40.6	Very low	41.2	Very low	162 Å²	162	126.9 Å²	126.9	87%	0.866	72%	0.724	S	S	*	*			trans	-73.9	116.3	163.1	-95.7	-44.9	0	0	0	110.1	E254 S258	E254-N256 PolarHBondContact O-N 2.8Å; N256-S258 PolarHBondContact O-N 3.03Å
257	N	43.4	Very low	40.3	Very low	172 Å²	172	125.7 Å²	125.7	92%	0.92	72%	0.719	S	S	*	*			trans	-66.4	100.5	174.3	-73.1	-47.9	0	0	0	110.6	G255	G255-N257 PolarHBondContact O-N 2.79Å
258	S	39.3	Very low	39.9	Very low	108 Å²	108	132.3 Å²	132.3	76%	0.755	76%	0.759	S	S	*	*			trans	-119.7	102.6	168.8	-170.4	0	0	0	0	109.4	N256	N256-S258 PolarHBondContact O-N 3.03Å
259	S	38.5	Very low	39.8	Very low	119 Å²	119	134.8 Å²	134.8	83%	0.832	77%	0.769	S	S	*	*			trans	-84.9	115.9	-173.7	54.2	0	0	0	0	112.5
260	T	41.4	Very low	40.4	Very low	140 Å²	140	136.3 Å²	136.3	86%	0.859	79%	0.786	S	S	*	*			trans	-140.6	139.8	156.7	0.7	0	0	0	0	109.7
261	A	37.4	Very low	40.4	Very low	102 Å²	102	135.4 Å²	135.4	84%	0.843	79%	0.789	S	S	*	*			trans	-91.2	140	-171.6	0	0	0	0	0	112.5
262	A	39.8	Very low	41	Very low	103 Å²	103	138.1 Å²	138.1	85%	0.851	80%	0.799	S	S	*	*			trans	-132.8	134.4	154	0	0	0	0	0	107.4
263	I	43.7	Very low	41.2	Very low	151 Å²	151	137.8 Å²	137.8	77%	0.774	81%	0.807	S	S	*	*			trans	-103.8	133.2	-179.7	-62.2	168.1	0	0	0	107.4	R265	I263-R265 HydrophobicContact CG2-CB 4.09Å
264	D	38.5	Very low	41.6	Very low	154 Å²	154	138.4 Å²	138.4	82%	0.824	82%	0.816	S	S	*	*			trans	-135	139	149.3	-160.1	-7.3	0	0	0	109
265	R	43	Very low	41.9	Very low	204 Å²	204	135.5 Å²	135.5	77%	0.77	82%	0.816	S	S	*	*			trans	-162.1	62	-162.3	-148.1	-176.4	-164.1	166.5	5.5	113.4	I263 S267	I263-R265 HydrophobicContact CG2-CB 4.09Å; R265-S267 PolarHBondContact O-N 2.9Å
266	D	45.7	Very low	42.3	Very low	147 Å²	147	137.4 Å²	137.4	79%	0.786	82%	0.817	S	S	*	*			trans	-52.9	113.8	160.9	-93.9	-22.3	0	0	0	109.6
267	S	38.4	Very low	42.1	Very low	85 Å²	85	140.8 Å²	140.8	59%	0.594	82%	0.818	S	S	*	*			trans	-144.3	102.3	-177.5	-71.8	0	0	0	0	110.1	R265	R265-S267 PolarHBondContact O-N 2.9Å
268	V	47.2	Very low	42.1	Very low	149 Å²	149	139.8 Å²	139.8	90%	0.903	81%	0.813	S	S	*	*			trans	-85.3	110.9	170.7	179.2	0	0	0	0	108.5
269	M	45.4	Very low	42	Very low	167 Å²	167	139.1 Å²	139.1	82%	0.823	81%	0.808	S	S	*	*			trans	-150	128.5	176.6	-94.9	-73.3	178.7	0	0	109.2
270	P	56.3	Low	42.2	Very low	109 Å²	109	140.6 Å²	140.6	71%	0.708	81%	0.805	S	S	*	*			trans	-94.9	119.8	165.1	33.2	-27.2	0	0	0	111.3
271	D	41.8	Very low	42.2	Very low	139 Å²	139	141.2 Å²	141.2	74%	0.743	80%	0.798	S	S	*	*			trans	32	122.6	148.1	-54.5	-35.5	0	0	0	121.2
272	N	44.7	Very low	42.3	Very low	174 Å²	174	144.3 Å²	144.3	93%	0.93	80%	0.795	S	S	*	*				-159.8	111.5	128.9	-105.4	-69	0	0	0	110.1
273	T	41.4	Very low	42.5	Very low	135 Å²	135	145.3 Å²	145.3	83%	0.828	79%	0.793	S	S	*	*			trans	-116.2	114.1	-172.2	27.6	0	0	0	0	112.7
274	S	38.5	Very low	42.4	Very low	127 Å²	127	142.2 Å²	142.2	89%	0.888	79%	0.79	S	S	*	*			trans	-157.4	119	154.8	53.7	0	0	0	0	112.2
275	S	42	Very low	42.6	Very low	124 Å²	124	141.6 Å²	141.6	87%	0.867	79%	0.791	S	S	*	*			trans	-164.4	122.2	161.9	-167.2	0	0	0	0	108.9
276	S	40.6	Very low	42.5	Very low	114 Å²	114	140 Å²	140	80%	0.797	80%	0.798	S	S	*	*			trans	-96	147.1	-178.5	51.3	0	0	0	0	111.7
277	R	38.2	Very low	42.6	Very low	233 Å²	233	136.8 Å²	136.8	88%	0.879	80%	0.8	S	S	*	*			trans	-146.6	113.7	163.7	-79.3	-165.7	175.1	-178.2	-1.1	112.3
278	N	42.9	Very low	42.5	Very low	151 Å²	151	140.4 Å²	140.4	81%	0.807	81%	0.812	S	S	*	*			trans	-174.5	105.5	140.6	-96.2	-27.4	0	0	0	105.9
279	S	36.3	Very low	42.3	Very low	95 Å²	95	140.8 Å²	140.8	66%	0.664	81%	0.808	S	S	*	*				90.7	160.1	66.7	68.9	0	0	0	0	111.8
280	I	42.8	Very low	42.2	Very low	150 Å²	150	138.5 Å²	138.5	77%	0.769	80%	0.803	S	S	*	*			trans	106	94.3	176.5	-58.9	171.4	0	0	0	117.5
281	H	41.3	Very low	41.8	Very low	152 Å²	152	141.2 Å²	141.2	70%	0.704	81%	0.809	S	S	*	*			trans	78.8	135.2	131.7	-80.9	-107.7	0	0	0	126.3
282	H	38.9	Very low	42.1	Very low	168 Å²	168	139.9 Å²	139.9	78%	0.778	81%	0.808	S	S	*	*			trans	77.5	127.4	151.1	-67.4	-55.9	0	0	0	122.9
283	P	44.6	Very low	42	Very low	124 Å²	124	134.6 Å²	134.6	81%	0.805	79%	0.794	S	S	*	*			trans	-114.3	163.8	169.6	41.4	-32.5	0	0	0	114.2
284	A	41.3	Very low	41.9	Very low	86 Å²	86	135.3 Å²	135.3	71%	0.711	79%	0.793	S	S	*	*			trans	-174.1	166.6	151.3	0	0	0	0	0	113.6
285	T	43.5	Very low	41.9	Very low	141 Å²	141	135.3 Å²	135.3	87%	0.865	79%	0.788	S	S	*	*			trans	72.7	137	159.2	48.7	0	0	0	0	121.4
286	D	40.5	Very low	41.8	Very low	171 Å²	171	135 Å²	135	91%	0.914	79%	0.785	S	S	*	*			trans	-83.2	170.6	-178.1	-50.6	-91.6	0	0	0	114.5
287	G	47.1	Very low	41.7	Very low	79 Å²	79	134.9 Å²	134.9	81%	0.814	79%	0.785	S	S	*	*			trans	-170.3	100.6	170.4	0	0	0	0	0	113.3
288	D	38.2	Very low	41.9	Very low	160 Å²	160	128.9 Å²	128.9	86%	0.856	78%	0.778	S	S	*	*			trans	-67.3	155.1	169.1	-85.7	-54.6	0	0	0	112.7
289	L	41.9	Very low	41.7	Very low	157 Å²	157	132.7 Å²	132.7	82%	0.822	78%	0.781	S	S	*	*			trans	158.8	109	142.6	-83.8	159.2	0	0	0	109.5
290	V	42.9	Very low	41.8	Very low	119 Å²	119	135.5 Å²	135.5	72%	0.721	79%	0.789	S	S	*	*				70.6	89.6	86.8	172.5	0	0	0	0	112.8
291	M	48.3	Very low	41.9	Very low	166 Å²	166	133.4 Å²	133.4	82%	0.818	79%	0.785	S	S	*	*				92.9	175.5	95.5	-72.2	-92.6	-77.6	0	0	112.9
292	P	48.8	Very low	41.7	Very low	112 Å²	112	133.4 Å²	133.4	73%	0.727	79%	0.79	S	S	*	*				-137.5	-170.6	-92.1	40.5	-18.9	0	0	0	115.8
293	G	41.2	Very low	41.8	Very low	62 Å²	62	132.7 Å²	132.7	64%	0.639	79%	0.786	S	S	*	*			trans	111.6	163.9	166.7	0	0	0	0	0	115
294	N	40.2	Very low	41.5	Very low	151 Å²	151	134 Å²	134	81%	0.807	78%	0.782	S	S	*	*			cis	-152.4	125.6	-4.8	-97.2	-16.8	0	0	0	112.9
295	T	39.2	Very low	41.6	Very low	126 Å²	126	135.3 Å²	135.3	77%	0.773	78%	0.782	S	S	*	*				18.6	119	129.6	61.2	0	0	0	0	122.9
296	S	39.9	Very low	41.4	Very low	117 Å²	117	133.3 Å²	133.3	82%	0.818	77%	0.77	S	S	*	*			trans	-176.8	134.1	136.1	52.6	0	0	0	0	109.7
297	S	38.5	Very low	41.5	Very low	113 Å²	113	131 Å²	131	79%	0.79	76%	0.762	S	S	*	*			cis	98.4	150.3	18.9	-161.2	0	0	0	0	115.6
298	S	42.4	Very low	41.1	Very low	106 Å²	106	133.5 Å²	133.5	74%	0.741	76%	0.757	S	S	*	*			trans	69.5	129.4	-164.7	72.1	0	0	0	0	114.7
299	R	38.2	Very low	41.4	Very low	231 Å²	231	134.7 Å²	134.7	87%	0.872	76%	0.755	S	S	*	*			cis	84.3	112.1	39.6	-73	-175.2	176.5	-179.8	-0.4	114.2
300	N	38.8	Very low	41.3	Very low	154 Å²	154	133.8 Å²	133.8	82%	0.824	75%	0.751	S	S	*	*				-175.2	147.3	115.1	-90.8	-14.8	0	0	0	112.8
301	P	43.2	Very low	41.2	Very low	107 Å²	107	135.6 Å²	135.6	70%	0.695	76%	0.756	S	S	*	*			trans	-97	172.1	161.8	38.7	-32.5	0	0	0	111.8
302	L	38.7	Very low	40.8	Very low	151 Å²	151	133.2 Å²	133.2	79%	0.791	75%	0.75	S	S	*	*			trans	171.9	131.3	133.3	-108.6	102.7	0	0	0	113.9
303	H	40.3	Very low	40.8	Very low	153 Å²	153	136.4 Å²	136.4	71%	0.708	76%	0.757	S	S	*	*			trans	48.2	125.8	135.7	-74.5	-117.2	0	0	0	125.2
304	H	37.5	Very low	41.1	Very low	153 Å²	153	137.7 Å²	137.7	71%	0.708	76%	0.755	S	S	*	*				53.1	166.4	124.9	-80	-69.5	0	0	0	121.8
305	P	44.4	Very low	41.1	Very low	112 Å²	112	136.7 Å²	136.7	73%	0.727	75%	0.749	S	S	*	*			cis	-110.9	164.3	19.8	10.8	15.7	0	0	0	114.9
306	T	39.8	Very low	41.1	Very low	100 Å²	100	138.3 Å²	138.3	61%	0.613	75%	0.753	S	S	*	*			cis	82.7	154.5	47.3	74.7	0	0	0	0	117.3
307	T	41.6	Very low	41.1	Very low	121 Å²	121	138.3 Å²	138.3	74%	0.742	75%	0.748	S	S	*	*			trans	80.3	142.3	179.6	74.5	0	0	0	0	116.5
308	D	39.4	Very low	41.1	Very low	133 Å²	133	138.5 Å²	138.5	71%	0.711	75%	0.75	S	S	*	*			cis	-165.6	178	-18	-115.8	-43	0	0	0	113.7
309	K	44.3	Very low	40.9	Very low	184 Å²	184	138.2 Å²	138.2	80%	0.8	75%	0.748	S	S	*	*			trans	93.1	85.2	159.4	-52.1	-166.3	-179.9	178.4	0	121.2
310	D	39.2	Very low	40.9	Very low	138 Å²	138	131.8 Å²	131.8	74%	0.738	74%	0.738	S	S	*	*				26.4	133.9	113.6	-49.2	-44.8	0	0	0	122.5
311	L	41.4	Very low	40.8	Very low	157 Å²	157	135.8 Å²	135.8	82%	0.822	74%	0.742	S	S	*	*				-175.8	117.1	119.4	-89.8	162.8	0	0	0	107
312	V	40.5	Very low	40.6	Very low	117 Å²	117	138.8 Å²	138.8	71%	0.709	75%	0.752	S	S	*	*				67.9	122.9	73.2	173.9	0	0	0	0	110.9
313	M	47.3	Very low	40.3	Very low	178 Å²	178	136.6 Å²	136.6	88%	0.877	75%	0.75	S	S	*	*			cis	-144.7	176.7	17.6	-108.8	-123.7	-171.8	0	0	112.9
314	P	48.6	Very low	40.3	Very low	90 Å²	90	136.7 Å²	136.7	58%	0.584	75%	0.753	S	S	*	*			trans	-120	-168.6	-163.7	45.5	-34.6	0	0	0	116.4
315	D	39.4	Very low	40.4	Very low	129 Å²	129	136.5 Å²	136.5	69%	0.69	75%	0.753	S	S	*	*			trans	63.4	129.7	150.6	-61	-33	0	0	0	122.1
316	N	39.8	Very low	40.2	Very low	160 Å²	160	138.7 Å²	138.7	86%	0.856	75%	0.753	S	S	*	*				-159.1	158.6	104.5	-108.1	-73.1	0	0	0	113.2
317	T	39.2	Very low	40.8	Very low	117 Å²	117	138.3 Å²	138.3	72%	0.718	75%	0.752	S	S	*	*			trans	-133.9	-172.2	-169.2	58.1	0	0	0	0	112.4
318	S	39.6	Very low	40.8	Very low	117 Å²	117	139.2 Å²	139.2	82%	0.818	75%	0.753	S	S	*	*			trans	76.8	153.9	177.8	81.2	0	0	0	0	116.5
319	S	37.7	Very low	40.9	Very low	100 Å²	100	138 Å²	138	70%	0.699	76%	0.755	S	S	*	*			cis	145.9	146.1	-27.8	174.2	0	0	0	0	110.6
320	S	38.8	Very low	40.7	Very low	96 Å²	96	132.5 Å²	132.5	67%	0.671	75%	0.75	S	S	*	*			trans	66.4	107.6	153.4	39.2	0	0	0	0	120.6
321	R	36	Very low	40.8	Very low	238 Å²	238	133.5 Å²	133.5	90%	0.898	75%	0.754	S	S	*	*				46.2	129.3	124.8	-61.7	178.5	178.3	170	-1	120
322	N	39.3	Very low	40.8	Very low	170 Å²	170	132 Å²	132	91%	0.909	75%	0.747	S	S	*	*				-155.2	158.2	123.9	-108.1	-25.5	0	0	0	112.2
323	S	32.9	Very low	41	Very low	106 Å²	106	133.5 Å²	133.5	74%	0.741	75%	0.747	S	S	*	*			trans	-155.8	132.3	-174.2	54.7	0	0	0	0	112
324	I	39.7	Very low	40.7	Very low	154 Å²	154	132 Å²	132	79%	0.79	74%	0.738	S	S	*	*			trans	-165.4	121.7	175.3	-96.3	140.8	0	0	0	104.9
325	H	40.2	Very low	40.4	Very low	149 Å²	149	134.4 Å²	134.4	69%	0.69	75%	0.746	S	S	*	*				56.3	140	81.1	-71.7	-73.3	0	0	0	113.2
326	H	38.9	Very low	40.7	Very low	158 Å²	158	132.3 Å²	132.3	73%	0.731	74%	0.742	S	S	*	*			cis	-166.8	-157.6	-1.8	-121.8	-22.8	0	0	0	106.8
327	P	53.2	Low	40.9	Very low	93 Å²	93	131.9 Å²	131.9	60%	0.604	74%	0.739	S	S	*	*				-128.7	-153.7	-60.4	38.6	-19.4	0	0	0	112.6
328	D	41	Very low	41.2	Very low	140 Å²	140	134 Å²	134	75%	0.749	75%	0.746	S	S	*	*			trans	76.9	147.9	152.7	-75.5	-26.9	0	0	0	122.6
329	S	42	Very low	41.3	Very low	108 Å²	108	134.3 Å²	134.3	76%	0.755	75%	0.745	S	S	*	*			cis	-170.8	152	-26.6	-115.5	0	0	0	0	114
330	G	39.8	Very low	41.9	Very low	67 Å²	67	133.2 Å²	133.2	69%	0.691	75%	0.749	S	S	*	*			trans	77.5	171.2	162.8	0	0	0	0	0	117.9
331	L	41.8	Very low	42.2	Very low	160 Å²	160	136.5 Å²	136.5	84%	0.838	75%	0.754	S	S	*	*			cis	-161.3	166.7	-5.8	-65.8	-176.5	0	0	0	106.9
332	L	41.9	Very low	42.6	Very low	126 Å²	126	132.2 Å²	132.2	66%	0.66	74%	0.744	S	S	*	*			cis	-171.4	154.4	-17.5	-105.3	174.9	0	0	0	110
333	M	43.3	Very low	43	Very low	147 Å²	147	132.3 Å²	132.3	72%	0.724	74%	0.738	S	S	*	*			trans	68	157.6	156.9	-58.7	-83.6	153.5	0	0	117.8
334	Q	42.2	Very low	43.5	Very low	147 Å²	147	135.4 Å²	135.4	69%	0.687	75%	0.746	S	S	*	*			cis	-161.7	153.4	-6.1	-128.1	169.7	14.9	0	0	112.6
335	N	42.4	Very low	43.7	Very low	141 Å²	141	133.7 Å²	133.7	75%	0.754	75%	0.746	S	S	*	*			trans	45	152.4	138.7	-72.7	3.8	0	0	0	123.2
336	S	45.5	Very low	44	Very low	85 Å²	85	132.2 Å²	132.2	59%	0.594	75%	0.75	S	S	*	*			cis	-176.8	150.6	-3.6	46.9	0	0	0	0	113.3
337	N	42.8	Very low	44	Very low	150 Å²	150	133.6 Å²	133.6	80%	0.802	76%	0.757	S	S	*	*			trans	61.2	155.7	147.8	-55.8	-12.3	0	0	0	119.3
338	L	45.9	Very low	43.7	Very low	163 Å²	163	141.5 Å²	141.5	85%	0.853	78%	0.775	S	S	*	*			cis	-141.8	170.2	4.1	-105.2	124.2	0	0	0	109.8
339	P	42.6	Very low	43.8	Very low	123 Å²	123	139.2 Å²	139.2	80%	0.799	77%	0.77	S	S	*	*			trans	-116.4	167.7	-172	41	-30.1	0	0	0	117
340	G	48.9	Very low	43.9	Very low	76 Å²	76	143.5 Å²	143.5	78%	0.784	78%	0.775	S	S	*	*			trans	147.3	151.4	165.1	0	0	0	0	0	112.7
341	E	45.3	Very low	44.1	Very low	166 Å²	166	146.9 Å²	146.9	78%	0.776	78%	0.777	S	S	*	*			cis	-162.2	166.2	-17.1	-155.3	-167	-155.3	0	0	109.2
342	Q	45.8	Very low	44.4	Very low	147 Å²	147	147.6 Å²	147.6	69%	0.687	78%	0.776	S	S	*	*			trans	74.2	103.8	160.5	-51.9	-174.7	26	0	0	121.6
343	H	46.2	Very low	44.3	Very low	172 Å²	172	145.1 Å²	145.1	80%	0.796	78%	0.78	S	S	*	*				50.8	104.3	125.5	-62.2	-67.6	0	0	0	122.7
344	L	43.5	Very low	44.1	Very low	171 Å²	171	145.9 Å²	145.9	90%	0.895	79%	0.786	S	S	*	*				177.1	164.3	99.3	-94.9	162.1	0	0	0	112.9
345	C	45.3	Very low	43.8	Very low	118 Å²	118	144.5 Å²	144.5	80%	0.797	79%	0.79	S	S	*	*			trans	-113.2	171.4	-166.4	-54.9	0	0	0	0	113.1
346	P	45.3	Very low	43.8	Very low	119 Å²	119	144.6 Å²	144.6	77%	0.773	79%	0.79	S	S	*	*			cis	-128	145.9	-39.2	33.6	-19	0	0	0	112.1
347	Q	40.3	Very low	43.5	Very low	187 Å²	187	148.4 Å²	148.4	87%	0.874	80%	0.798	S	S	*	*			trans	-106	128.1	172.5	-163.3	171.9	10.5	0	0	109.8	S349	Q347-S349 PolarHBondContact O-N 2.86Å; Q347-S349 VanDerWaalsContact O-N 3.13Å
348	W	46.4	Very low	43.4	Very low	258 Å²	258	148.3 Å²	148.3	98%	0.977	80%	0.797	S	S	*	*			trans	-75.6	99.5	171.3	-88	9.9	0	0	0	109.5
349	S	42	Very low	43.3	Very low	93 Å²	93	146.8 Å²	146.8	65%	0.65	80%	0.797	S	S	*	*			trans	-71.3	148.6	172.3	-167.3	0	0	0	0	111.3	Q347	Q347-S349 PolarHBondContact O-N 2.86Å; Q347-S349 VanDerWaalsContact O-N 3.13Å
350	K	44.4	Very low	43.1	Very low	197 Å²	197	148.2 Å²	148.2	86%	0.857	80%	0.797	S	S	*	*			trans	-89.2	114.5	158.9	-73.6	179	176	179	0	107.4
351	D	44.8	Very low	42.5	Very low	138 Å²	138	150.2 Å²	150.2	74%	0.738	80%	0.796	S	S	*	*			trans	-76	141.4	169.5	-80.2	-39.2	0	0	0	112.1
352	H	47.9	Very low	42.2	Very low	176 Å²	176	149.1 Å²	149.1	82%	0.815	80%	0.801	S	S	*	*			trans	-35.8	147.3	162.1	-47.6	-85.5	0	0	0	112.7
353	G	39.1	Very low	41.8	Very low	73 Å²	73	146.7 Å²	146.7	75%	0.753	80%	0.799	S	S	*	*			cis	115.8	79.2	24.7	0	0	0	0	0	109
354	L	39.7	Very low	41.3	Very low	163 Å²	163	148 Å²	148	85%	0.853	80%	0.803	S	S	*	*			trans	-144	107.9	-176.6	-113.7	168.6	0	0	0	109.9
355	P	36	Very low	41	Very low	119 Å²	119	148.3 Å²	148.3	77%	0.773	80%	0.8	S	S	*	*			trans	-98.6	101.7	179.1	34	-28.3	0	0	0	111.2
356	L	41.3	Very low	40.6	Very low	142 Å²	142	149.8 Å²	149.8	74%	0.743	80%	0.8	S	S	*	*			trans	-170.5	115.1	165.3	-111.7	163.3	0	0	0	112.6
357	H	39.1	Very low	40.2	Very low	166 Å²	166	148.4 Å²	148.4	77%	0.769	80%	0.799	S	S	*	*				152.7	134.8	128.6	-88.7	-74.3	0	0	0	113.4
358	L	41.3	Very low	40	Very low	147 Å²	147	148 Å²	148	77%	0.77	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-74.3	146.6	167	-73.9	65.5	0	0	0	109.8	L360	L358-L360 PolarHBondContact O-N 3.33Å
359	P	42.9	Very low	39.4	Very low	132 Å²	132	142.1 Å²	142.1	86%	0.857	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-63.1	118	150.8	-14	29.5	0	0	0	109
360	L	39	Very low	39.1	Very low	152 Å²	152	144.9 Å²	144.9	80%	0.796	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-67.6	155.9	170	-80.9	163.7	0	0	0	110.6	L358 V362	L358-L360 PolarHBondContact O-N 3.33Å; L360-V362 PolarHBondContact O-N 3.48Å
361	P	37	Very low	38.5	Very low	118 Å²	118	141.5 Å²	141.5	77%	0.766	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-67.9	130.4	-173.3	27.4	-34.9	0	0	0	111.9	S363	P361-S363 PolarHBondContact O-N 3.29Å
362	V	39.1	Very low	37.9	Very low	144 Å²	144	139.8 Å²	139.8	87%	0.873	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-67.5	130.7	168.2	-179.4	0	0	0	0	108.7	L360	L360-V362 PolarHBondContact O-N 3.48Å
363	S	37.3	Very low	37.1	Very low	95 Å²	95	143.4 Å²	143.4	66%	0.664	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-65.3	141.7	-174	48.6	0	0	0	0	113	P361 Q365	P361-S363 PolarHBondContact O-N 3.29Å; S363-Q365 PolarHBondContact O-N 2.78Å
364	K	35.7	Very low	37	Very low	200 Å²	200	147.2 Å²	147.2	87%	0.87	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-58.6	134.4	153.6	-67.4	-178.9	177.4	-177.3	0	108.7
365	Q	37.5	Very low	36.7	Very low	177 Å²	177	143.2 Å²	143.2	83%	0.827	80%	0.795	S	S	*	*			trans	-145.4	131.3	156.9	-158.6	166.4	17.4	0	0	108	S363	S363-Q365 PolarHBondContact O-N 2.78Å
366	D	36.5	Very low	36.7	Very low	150 Å²	150	141 Å²	141	80%	0.802	79%	0.786	S	S	*	*			trans	-81.7	136.6	-162.7	-53.6	-82.7	0	0	0	112.3
367	A	36.2	Very low	36.2	Very low	90 Å²	90	141.4 Å²	141.4	74%	0.744	79%	0.79	S	S	*	*			trans	-136.2	79.3	172.3	0	0	0	0	0	108.9	T369	A367-T369 PolarHBondContact O-N 3.25Å; A367-T369 VanDerWaalsContact O-N 3.13Å
368	E	36	Very low	35.9	Very low	177 Å²	177	142.1 Å²	142.1	83%	0.827	79%	0.793	S	S	*	*			trans	-61.8	112.8	166.2	-69.9	-167.5	111.1	0	0	109.2
369	T	35.3	Very low	35.7	Very low	135 Å²	135	144.3 Å²	144.3	83%	0.828	79%	0.792	S	S	*	*			trans	-126	103.1	163.3	-45.6	0	0	0	0	108.3	A367	A367-T369 PolarHBondContact O-N 3.25Å; A367-T369 VanDerWaalsContact O-N 3.13Å
370	Q	35.7	Very low	35.6	Very low	151 Å²	151	143.7 Å²	143.7	71%	0.706	79%	0.789	S	S	*	*			trans	-72.3	171.7	178.5	-63.7	-178.1	0.1	0	0	112.1
371	T	31.3	Very low	35.4	Very low	126 Å²	126	147.5 Å²	147.5	77%	0.773	79%	0.794	S	S	*	*			trans	92.5	151.4	152.9	77.1	0	0	0	0	120.5
372	S	32.5	Very low	35.6	Very low	102 Å²	102	151.8 Å²	151.8	71%	0.713	80%	0.795	S	S	*	*			trans	66	92.1	172.1	68	0	0	0	0	117.8
373	W	31.2	Very low	35.4	Very low	252 Å²	252	148.1 Å²	148.1	96%	0.955	78%	0.776	S	S	*	*			trans	-58	130.3	141.1	-71.2	25.2	0	0	0	108.7
374	N	36.3	Very low	35.6	Very low	153 Å²	153	149.8 Å²	149.8	82%	0.818	79%	0.785	S	S	*	*			trans	-164.9	56.3	155.7	-100.5	-25.6	0	0	0	112	A376	N374-A376 PolarHBondContact O-N 3.08Å
375	G	33	Very low	36	Very low	80 Å²	80	146.9 Å²	146.9	83%	0.825	78%	0.778	S	S	*	*			trans	-70.9	81.1	161.5	0	0	0	0	0	109.4	N377	G375-N377 PolarHBondContact O-N 3.48Å
376	A	35.8	Very low	36.1	Very low	71 Å²	71	143.2 Å²	143.2	59%	0.587	76%	0.764	S	S	*	*			trans	-67.1	122.2	-168.4	0	0	0	0	0	112.3	N374 Q378	N374-A376 PolarHBondContact O-N 3.08Å; A376-Q378 PolarHBondContact O-N 2.91Å
377	N	30.9	Very low	36	Very low	152 Å²	152	140.9 Å²	140.9	81%	0.813	76%	0.757	S	S	*	*			trans	-67.9	79	167	-78	-27.9	0	0	0	110.1	G375 Y379	G375-N377 PolarHBondContact O-N 3.48Å; N377-Y379 VanDerWaalsContact C-N 3.27Å; N377-Y379 PolarHBondContact O-N 2.88Å
378	Q	33.9	Very low	35.9	Very low	180 Å²	180	140.5 Å²	140.5	84%	0.841	75%	0.75	S	S	*	*			trans	-77	86.2	163	-69.5	-166.3	-1.8	0	0	109	A376	A376-Q378 PolarHBondContact O-N 2.91Å
379	Y	37	Very low	35.8	Very low	193 Å²	193	140.4 Å²	140.4	76%	0.757	74%	0.743	S	S	*	*			trans	-48.4	135.4	144.5	-74.8	-95.2	0	0	0	107.5	N377 Y381	N377-Y379 VanDerWaalsContact C-N 3.27Å; N377-Y379 PolarHBondContact O-N 2.88Å; Y379-Y381 PolarHBondContact O-N 2.86Å
380	P	40.4	Very low	35.5	Very low	120 Å²	120	140.5 Å²	140.5	78%	0.779	74%	0.738	S	S	*	*			trans	-61.8	106	164.5	26.6	-31.6	0	0	0	107	R382	P380-R382 PolarHBondContact O-N 2.9Å
381	Y	35	Very low	35.1	Very low	231 Å²	231	139.4 Å²	139.4	91%	0.906	74%	0.736	S	S	*	*			trans	-58.2	115.1	174.6	-125.3	-88.4	0	0	0	106.7	Y379 S383	Y379-Y381 PolarHBondContact O-N 2.86Å; Y381-S383 PolarHBondContact O-N 2.76Å; Y381-S383 VanDerWaalsContact O-N 3.1Å
382	R	40.1	Very low	34.9	Very low	208 Å²	208	140.9 Å²	140.9	79%	0.785	74%	0.738	S	S	*	*			trans	-57.7	121.3	-179	-75.1	-177.7	174.2	-178	-4.1	108.2	P380	P380-R382 PolarHBondContact O-N 2.9Å
383	S	36.2	Very low	34.8	Very low	68 Å²	68	140.2 Å²	140.2	48%	0.476	73%	0.729	S	S	.	*			trans	-56.3	133.5	160.8	179.2	0	0	0	0	107.5	Y381 N385 D386	Y381-S383 PolarHBondContact O-N 2.76Å; Y381-S383 VanDerWaalsContact O-N 3.1Å; S383-N385 PolarHBondContact O-N 3.42Å; S383-N385 PolarHBondContact OG-N 3.01Å; S383-D386 PolarHBondContact O-N 3.17Å
384	P	41.7	Very low	34.7	Very low	130 Å²	130	136.7 Å²	136.7	84%	0.844	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.2	-16.3	169.8	-24.2	34.9	0	0	0	113.1
385	N	43.6	Very low	34.7	Very low	139 Å²	139	138.9 Å²	138.9	74%	0.743	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.2	34.7	-172	-54.4	-13.5	0	0	0	112.4	S383 P387	S383-N385 PolarHBondContact O-N 3.42Å; S383-N385 PolarHBondContact OG-N 3.01Å; N385-P387 WeakPolarHBondContact O-CD 3.5Å
386	D	39.5	Very low	34.9	Very low	99 Å²	99	140.7 Å²	140.7	53%	0.529	72%	0.719	S	S	.	*			trans	-89.5	108.9	170.6	-169.5	-37.5	0	0	0	109.6	S383 S388	S383-D386 PolarHBondContact O-N 3.17Å; D386-S388 PolarHBondContact O-N 2.92Å; D386-S388 VanDerWaalsContact OD1-CB 3.25Å; D386-S388 WeakPolarHBondContact OD1-CB 3.48Å; D386-S388 PolarHBondContact OD1-N 2.87Å; D386-S388 PolarHBondContact OD1-OG 2.85Å
387	P	35.1	Very low	34.8	Very low	101 Å²	101	145.2 Å²	145.2	66%	0.656	73%	0.733	S	S	*	*			trans	-79	6.5	-170.8	33.3	-36.8	0	0	0	114.3	N385 Y389 N390	N385-P387 WeakPolarHBondContact O-CD 3.5Å; P387-Y389 PolarHBondContact O-N 2.92Å; P387-N390 PolarHBondContact O-N 2.94Å
388	S	32.5	Very low	35.1	Very low	83 Å²	83	146.2 Å²	146.2	58%	0.58	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.9	8.3	-175.5	55.5	0	0	0	0	116.2	D386	D386-S388 PolarHBondContact O-N 2.92Å; D386-S388 VanDerWaalsContact OD1-CB 3.25Å; D386-S388 WeakPolarHBondContact OD1-CB 3.48Å; D386-S388 PolarHBondContact OD1-N 2.87Å; D386-S388 PolarHBondContact OD1-OG 2.85Å
389	Y	35.4	Very low	35.3	Very low	175 Å²	175	149.1 Å²	149.1	69%	0.686	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.6	18.4	-179.5	-88.6	-87.1	0	0	0	115.3	P387	P387-Y389 PolarHBondContact O-N 2.92Å
390	N	27.9	Very low	35.3	Very low	137 Å²	137	148.9 Å²	148.9	73%	0.733	75%	0.747	S	S	*	*			trans	-110.3	91.1	172.9	-77.4	-32.5	0	0	0	111.8	P387	P387-N390 PolarHBondContact O-N 2.94Å
391	L	27.6	Very low	35.3	Very low	127 Å²	127	148.9 Å²	148.9	67%	0.665	75%	0.75	S	S	*	*			trans	-119.1	96.8	169	-147.8	95.6	0	0	0	109.8	V393	L391-V393 HydrophobicContact CD2-CG2 3.98Å
392	I	26.7	Very low	35.3	Very low	157 Å²	157	144 Å²	144	81%	0.805	74%	0.744	S	S	*	*			trans	-77.6	126.6	173	-60	172.5	0	0	0	107.9
393	V	30.8	Very low	35.4	Very low	88 Å²	88	140.1 Å²	140.1	53%	0.533	75%	0.749	S	S	.	*			trans	-126.4	104.2	175.2	-178.1	0	0	0	0	108.8	L391 Y395	L391-V393 HydrophobicContact CD2-CG2 3.98Å; V393-Y395 HydrophobicContact CG1-CE2 4.24Å
394	E	29.6	Very low	35.4	Very low	178 Å²	178	140 Å²	140	83%	0.832	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-77.4	133	168.2	-63.1	-173.7	139.4	0	0	109.8
395	Y	35	Very low	35.3	Very low	200 Å²	200	141.2 Å²	141.2	78%	0.784	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-97.2	122.9	175.1	-79.7	-90.7	0	0	0	110.6	V393	V393-Y395 HydrophobicContact CG1-CE2 4.24Å
396	P	38.4	Very low	35	Very low	118 Å²	118	145.9 Å²	145.9	77%	0.766	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-74	140.3	171.5	30.2	-33.3	0	0	0	111.1	L398	P396-L398 PolarHBondContact O-N 3.28Å
397	N	34.3	Very low	34.8	Very low	165 Å²	165	149.1 Å²	149.1	88%	0.882	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-59.3	127.5	-177.4	-64.8	-76.5	0	0	0	112.9
398	L	35.6	Very low	34.9	Very low	173 Å²	173	149.9 Å²	149.9	91%	0.906	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-87.9	128.8	166.4	-140.4	77.2	0	0	0	109.7	P396	P396-L398 PolarHBondContact O-N 3.28Å
399	R	39.2	Very low	35.1	Very low	242 Å²	242	151.3 Å²	151.3	91%	0.913	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-95.2	132.1	168.3	-89.5	-174.9	170.2	-178.5	-2.8	109.8
400	E	36.4	Very low	35.1	Very low	187 Å²	187	148.4 Å²	148.4	87%	0.874	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-71.4	152.5	169.1	-60.9	-178.6	132	0	0	111.5
401	S	41.4	Very low	35.6	Very low	121 Å²	121	150.4 Å²	150.4	85%	0.846	79%	0.788	S	S	*	*			trans	-151.1	122.9	168.7	-170	0	0	0	0	109
402	T	33.9	Very low	36	Very low	129 Å²	129	151.4 Å²	151.4	79%	0.791	79%	0.789	S	S	*	*			trans	-121	108.9	-167	50.4	0	0	0	0	113.2
403	S	43	Very low	36.4	Very low	125 Å²	125	150 Å²	150	87%	0.874	78%	0.783	S	S	*	*			trans	-172.7	151.5	157.7	52	0	0	0	0	109.9
404	G	36.7	Very low	36.7	Very low	65 Å²	65	151.8 Å²	151.8	67%	0.67	79%	0.794	S	S	*	*			cis	161.2	118.6	-13.1	0	0	0	0	0	114.4
405	I	38.3	Very low	36.9	Very low	157 Å²	157	150.9 Å²	150.9	81%	0.805	79%	0.79	S	S	*	*			trans	83	131.7	150.3	-59	172.7	0	0	0	119.6
406	R	37.5	Very low	36.9	Very low	236 Å²	236	147.4 Å²	147.4	89%	0.891	78%	0.784	S	S	*	*			trans	85.4	110.6	157	-83.9	164	-167.2	-178	2.7	122.6
407	E	35.4	Very low	36.7	Very low	167 Å²	167	149.5 Å²	149.5	78%	0.78	78%	0.784	S	S	*	*			trans	-77.4	173.5	137.1	-49.4	-176.5	123.8	0	0	110.8
408	P	38.4	Very low	36.7	Very low	117 Å²	117	147 Å²	147	76%	0.76	78%	0.775	S	S	*	*				-150.8	131.9	82.1	34.1	-12.3	0	0	0	118.6
409	T	35.1	Very low	36.7	Very low	113 Å²	113	142.8 Å²	142.8	69%	0.693	76%	0.76	S	S	*	*			trans	39.9	133.8	133.8	38.7	0	0	0	0	126.5
410	V	36.2	Very low	36.4	Very low	115 Å²	115	141.8 Å²	141.8	70%	0.697	76%	0.756	S	S	*	*				100.9	140.9	124.6	158.1	0	0	0	0	123.3
411	K	37.8	Very low	36.4	Very low	179 Å²	179	138.7 Å²	138.7	78%	0.778	75%	0.745	S	S	*	*			trans	75.3	150.7	167.4	-80.7	155	-172.5	177.1	0	119.2
412	Q	35.9	Very low	36.1	Very low	148 Å²	148	140.8 Å²	140.8	69%	0.692	74%	0.739	S	S	*	*			cis	-177.2	159.4	-37.5	-127	-176.8	-35.5	0	0	111
413	N	36.6	Very low	36.4	Very low	126 Å²	126	144.8 Å²	144.8	67%	0.674	74%	0.741	S	S	*	*			trans	79.1	142.8	146.6	-69.1	0.5	0	0	0	123.9
414	V	35.5	Very low	36.1	Very low	127 Å²	127	143.8 Å²	143.8	77%	0.77	73%	0.734	S	S	*	*			trans	71.7	142.3	153.2	167.3	0	0	0	0	118.7
415	E	33.7	Very low	35.9	Very low	159 Å²	159	149.9 Å²	149.9	74%	0.743	74%	0.742	S	S	*	*			cis	163.4	167.8	-36.8	176.8	173.6	-167.5	0	0	108
416	L	35.4	Very low	36.2	Very low	126 Å²	126	146.7 Å²	146.7	66%	0.66	73%	0.732	S	S	*	*			trans	77.1	125	176.2	-67.3	115.2	0	0	0	115.2
417	Q	33.7	Very low	36.2	Very low	163 Å²	163	142 Å²	142	76%	0.762	73%	0.725	S	S	*	*				65.9	143.3	74.9	-69.4	-170	25.1	0	0	112.7
418	T	35	Very low	36.5	Very low	113 Å²	113	141.6 Å²	141.6	69%	0.693	73%	0.728	S	S	*	*			cis	-169.3	167.2	10.1	17.1	0	0	0	0	108.1
419	S	35	Very low	36.4	Very low	84 Å²	84	142.6 Å²	142.6	59%	0.587	73%	0.727	S	S	*	*			cis	177.1	178	-24.2	53.6	0	0	0	0	111.4
420	W	32.7	Very low	36.5	Very low	221 Å²	221	144.7 Å²	144.7	84%	0.837	73%	0.734	S	S	*	*			trans	76.9	150	160.3	-75.8	104.7	0	0	0	122.8
421	N	38.2	Very low	36.3	Very low	121 Å²	121	148.8 Å²	148.8	65%	0.647	74%	0.738	S	S	*	*			trans	74.5	148.4	149.5	-75.3	-34.8	0	0	0	120.4
422	K	34.5	Very low	36	Very low	166 Å²	166	147.9 Å²	147.9	72%	0.722	74%	0.741	S	S	*	*			cis	-169	-179.6	-21	-152.9	174.3	-174.9	173.4	0	110
423	Y	39	Very low	35.8	Very low	212 Å²	212	149.5 Å²	149.5	83%	0.831	75%	0.745	S	S	*	*			trans	101.8	164.9	164.2	-69.7	-73.3	0	0	0	119.2
424	S	38.1	Very low	35.7	Very low	104 Å²	104	150.2 Å²	150.2	73%	0.727	75%	0.748	S	S	*	*			trans	-154.1	157.3	-133.5	52.4	0	0	0	0	116.1
425	K	32.5	Very low	35.6	Very low	193 Å²	193	150.2 Å²	150.2	84%	0.839	75%	0.748	S	S	*	*			trans	-24	165.3	152.2	-92.2	-166.6	174.3	-166.6	0	117.9
426	P	44.9	Very low	35.8	Very low	91 Å²	91	151 Å²	151	59%	0.591	75%	0.752	S	S	*	*			cis	-144.6	-163.4	-14.8	38.4	-16.6	0	0	0	115.3
427	D	37.6	Very low	35.8	Very low	137 Å²	137	155.9 Å²	155.9	73%	0.733	76%	0.761	S	S	*	*			trans	64.5	118.1	150.5	-57.1	-21.4	0	0	0	122.1
428	N	40.2	Very low	36.2	Very low	158 Å²	158	154.2 Å²	154.2	85%	0.845	76%	0.764	S	S	*	*				-163.3	165	111.5	-109.6	-65	0	0	0	113.5
429	N	36.3	Very low	36.6	Very low	139 Å²	139	156.2 Å²	156.2	74%	0.743	77%	0.769	S	S	*	*			trans	-80.3	158.3	175.8	-52.2	-78.3	0	0	0	111.5
430	D	38.3	Very low	36.7	Very low	156 Å²	156	163.8 Å²	163.8	83%	0.834	79%	0.785	S	S	*	*				-157.1	165.8	122.8	-133	-31.6	0	0	0	114.3
431	Y	30.6	Very low	37.1	Very low	201 Å²	201	161 Å²	161	79%	0.788	79%	0.786	S	S	*	*			trans	-91.8	144.7	-174.1	-75.1	-106.4	0	0	0	113.6
432	L	32.4	Very low	37.5	Very low	160 Å²	160	164.7 Å²	164.7	84%	0.838	80%	0.796	S	S	*	*			trans	-153.1	112.8	146.9	-122.1	149.9	0	0	0	112.4	I434	L432-I434 HydrophobicContact CD2-CG1 4.23Å
433	K	31.6	Very low	38.1	Very low	182 Å²	182	162.2 Å²	162.2	79%	0.791	80%	0.797	S	S	*	*			trans	-86.5	130.9	165.8	-79.4	179	175.5	173.9	0	108.8
434	I	34.6	Very low	39	Very low	142 Å²	142	158.2 Å²	158.2	73%	0.728	80%	0.797	S	S	*	*			trans	-115.9	130.9	158.8	-63.6	-179.8	0	0	0	107.4	L432 E436	L432-I434 HydrophobicContact CD2-CG1 4.23Å; I434-E436 HydrophobicContact CG2-CG 4.13Å
435	V	32.6	Very low	39.4	Very low	126 Å²	126	159.2 Å²	159.2	76%	0.764	80%	0.799	S	S	*	*			trans	-121.4	107.9	-179.5	176.2	0	0	0	0	107.9
436	E	38.1	Very low	39.6	Very low	176 Å²	176	156.5 Å²	156.5	82%	0.822	80%	0.799	S	S	*	*			trans	-109.4	151.7	171.9	-64.4	-158.2	135.9	0	0	111.5	I434	I434-E436 HydrophobicContact CG2-CG 4.13Å
437	R	35.4	Very low	39.5	Very low	229 Å²	229	157.2 Å²	157.2	86%	0.864	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-99.1	136.4	-163.4	-56.2	174.5	-174.3	168.2	0.9	111	I439	R437-I439 PolarHBondContact O-N 2.82Å
438	P	41.8	Very low	39.7	Very low	127 Å²	127	159.7 Å²	159.7	83%	0.825	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-71.2	117.5	168	29.2	-32.4	0	0	0	110.3	R440	P438-R440 PolarHBondContact O-N 2.78Å
439	I	44.2	Very low	39.6	Very low	156 Å²	156	161 Å²	161	80%	0.8	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-73.6	124.9	171.4	-64.4	177.3	0	0	0	108.8	R437	R437-I439 PolarHBondContact O-N 2.82Å
440	R	36.3	Very low	39.8	Very low	242 Å²	242	160.4 Å²	160.4	91%	0.913	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-78.5	120.8	172.5	-69	179.1	174.5	178.2	-2.9	110	P438	P438-R440 PolarHBondContact O-N 2.78Å
441	L	42.9	Very low	39.8	Very low	164 Å²	164	157.2 Å²	157.2	86%	0.859	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-103.1	137.9	159.8	-73.8	170.7	0	0	0	109.5
442	K	46.2	Very low	40.2	Very low	197 Å²	197	157.1 Å²	157.1	86%	0.857	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-83.6	145.7	176.9	-68.5	179.4	176.5	180	0	110.3
443	P	47.3	Very low	40.4	Very low	115 Å²	115	158.6 Å²	158.6	75%	0.747	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-73.6	141.2	163.1	32.1	-33.1	0	0	0	110.5
444	P	57.1	Low	40.7	Very low	128 Å²	128	159.5 Å²	159.5	83%	0.831	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-77.9	149.1	163.8	32.8	-32.6	0	0	0	110.8
445	T	45.9	Very low	40.8	Very low	125 Å²	125	158.2 Å²	158.2	77%	0.767	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-96.2	143.4	-177	41.9	0	0	0	0	113.3
446	T	38	Very low	40.5	Very low	136 Å²	136	157.9 Å²	157.9	83%	0.834	83%	0.833	S	S	*	*			trans	43.7	116.3	147.1	56.8	0	0	0	0	119.9
447	A	43.3	Very low	40.3	Very low	105 Å²	105	161.5 Å²	161.5	87%	0.868	84%	0.839	S	S	*	*			trans	-137.6	138.3	142.8	0	0	0	0	0	108.6
448	E	40.9	Very low	40	Very low	190 Å²	190	161.4 Å²	161.4	89%	0.888	84%	0.84	S	S	*	*			trans	-94.1	139.8	174	-62.8	169.5	92.3	0	0	109.6
449	E	38.6	Very low	39.6	Very low	185 Å²	185	158.5 Å²	158.5	86%	0.864	83%	0.833	S	S	*	*			trans	-158.5	107.7	139.9	-122.2	-177.7	155	0	0	114.9
450	T	40.5	Very low	39.1	Very low	127 Å²	127	158.1 Å²	158.1	78%	0.779	83%	0.833	S	S	*	*				37.2	91.9	129.2	-39	0	0	0	0	120.9
451	A	37.8	Very low	38.9	Very low	89 Å²	89	156.5 Å²	156.5	74%	0.736	83%	0.833	S	S	*	*			trans	28.8	127.1	132.5	0	0	0	0	0	122.6
452	M	38	Very low	38.5	Very low	198 Å²	198	156.2 Å²	156.2	98%	0.975	83%	0.827	S	S	*	*			trans	-128.2	164.4	142.2	-87.7	-150.1	175	0	0	112.3
453	K	36.6	Very low	37.9	Very low	192 Å²	192	155.2 Å²	155.2	84%	0.835	83%	0.831	S	S	*	*			trans	-116.5	135.9	-156.8	-60.2	166.7	179.3	167.3	0	113.8
454	K	38.4	Very low	37.4	Very low	200 Å²	200	157.5 Å²	157.5	87%	0.87	83%	0.829	S	S	*	*			trans	58	168.2	135.7	-75.2	-170.7	178	-172.6	0	119.8
455	P	37.9	Very low	36.3	Very low	116 Å²	116	157 Å²	157	75%	0.753	82%	0.823	S	S	*	*			cis	-131.8	-178.9	-28.9	33.4	-14.6	0	0	0	114.1
456	C	26.2	Very low	35.8	Very low	119 Å²	119	162.5 Å²	162.5	80%	0.804	83%	0.832	S	S	*	*			trans	-45.7	152.5	173.5	-43.7	0	0	0	0	117.4
457	R	32.6	Very low	35.5	Very low	252 Å²	252	163.6 Å²	163.6	95%	0.951	83%	0.832	S	S	*	*			trans	-133.8	142	139.9	-100.1	-172	175.2	-174.2	-1.1	110.5
458	Y	30.5	Very low	35	Very low	227 Å²	227	164.3 Å²	164.3	89%	0.89	83%	0.826	S	S	*	*			trans	-76.9	155.4	172.7	-103.3	-108.2	0	0	0	111.2
459	G	33.2	Very low	34.7	Very low	66 Å²	66	162.3 Å²	162.3	68%	0.68	82%	0.82	S	S	*	*			trans	-163.6	100.3	167.5	0	0	0	0	0	110.8
460	N	32.2	Very low	34.6	Very low	147 Å²	147	164.3 Å²	164.3	79%	0.786	82%	0.821	S	S	*	*			trans	-68	134.5	165.5	-77.6	-7.3	0	0	0	108.5
461	F	33.1	Very low	34.3	Very low	209 Å²	209	165.5 Å²	165.5	92%	0.917	82%	0.823	S	S	*	*			trans	-130.2	133.5	157.6	-99.9	-84.7	0	0	0	109.8
462	E	35	Very low	34.1	Very low	158 Å²	158	169 Å²	169	74%	0.738	83%	0.83	S	S	*	*			trans	-75.8	159.3	-175.2	-60.6	-174.8	136.7	0	0	112.2	K464	E462-K464 PolarHBondContact O-N 2.82Å
463	N	33.9	Very low	34.1	Very low	175 Å²	175	167.5 Å²	167.5	94%	0.936	82%	0.824	S	S	*	*	S	Bend	trans	-74.3	85.2	-176.4	-166.7	7.7	0	0	0	111.8
464	K	36	Very low	34.1	Very low	164 Å²	164	166 Å²	166	71%	0.713	83%	0.825	S	S	*	*			trans	-139.7	149	175.5	-80.8	176.7	178.8	154.5	0	112.1	E462	E462-K464 PolarHBondContact O-N 2.82Å
465	V	34.1	Very low	34	Very low	116 Å²	116	164.9 Å²	164.9	70%	0.703	83%	0.828	S	S	*	*			trans	65.1	85.3	173.8	-162.4	0	0	0	0	116
466	Y	34.7	Very low	33.9	Very low	241 Å²	241	163.4 Å²	163.4	95%	0.945	83%	0.825	S	S	*	*			trans	-121.2	70	146.2	-110.4	-77.5	0	0	0	108.3
467	N	33.1	Very low	34.6	Very low	159 Å²	159	169.8 Å²	169.8	85%	0.85	83%	0.832	S	S	*	*			trans	-157.6	57.9	177.7	-115	0.7	0	0	0	111.3
468	T	32.4	Very low	35	Very low	121 Å²	121	165.4 Å²	165.4	74%	0.742	82%	0.822	S	S	*	*			trans	-157.4	160.5	166.2	-28.1	0	0	0	0	107.9
469	I	34.6	Very low	35.5	Very low	148 Å²	148	162.2 Å²	162.2	76%	0.759	82%	0.816	S	S	*	*	S	Bend	trans	67.4	76.7	-170.2	-43.3	168.7	0	0	0	112.1
470	Y	36.3	Very low	35.9	Very low	226 Å²	226	168.8 Å²	168.8	89%	0.886	83%	0.829	S	S	*	*	S	Bend	trans	-171.3	36.5	135.3	-99.2	-57.9	0	0	0	113.6
471	D	34	Very low	36.2	Very low	153 Å²	153	166.6 Å²	166.6	82%	0.818	83%	0.83	S	S	*	*			trans	-125.9	151	165.4	-72.8	-64.5	0	0	0	108.4
472	N	33.9	Very low	36.8	Very low	163 Å²	163	161.7 Å²	161.7	87%	0.872	82%	0.822	S	S	*	*			trans	101.1	56.3	-173.1	-60.2	-41.4	0	0	0	117.8
473	I	38.3	Very low	37.2	Very low	165 Å²	165	160.9 Å²	160.9	85%	0.846	83%	0.828	S	S	*	*			trans	-138.7	80.6	150.2	-51.2	178.5	0	0	0	109.5
474	D	34.9	Very low	37.4	Very low	162 Å²	162	158.4 Å²	158.4	87%	0.866	82%	0.822	S	S	*	*			trans	-164.5	68.9	158.6	-114.3	-23.6	0	0	0	111.7
475	L	36.5	Very low	38	Very low	176 Å²	176	155.7 Å²	155.7	92%	0.921	82%	0.824	S	S	*	*			trans	-158.7	158.8	161.6	-141.2	70.2	0	0	0	111.9
476	A	36.9	Very low	38.6	Very low	85 Å²	85	156.5 Å²	156.5	70%	0.702	83%	0.829	S	S	*	*			trans	65.8	91.1	170.1	0	0	0	0	0	118.5
477	R	41.1	Very low	39	Very low	253 Å²	253	151.2 Å²	151.2	96%	0.955	82%	0.824	S	S	*	*				-142.4	118.2	125.4	-107.1	175.9	-161.1	176.9	6.9	110.7
478	H	41.1	Very low	39.8	Very low	159 Å²	159	151 Å²	151	74%	0.736	82%	0.823	S	S	*	*			trans	-80.7	143.4	178.7	-99.6	-102	0	0	0	112.2
479	Q	39.6	Very low	40.2	Very low	161 Å²	161	151 Å²	151	75%	0.752	82%	0.823	S	S	*	*			trans	25.2	120	137.7	-62.9	164.7	-34.6	0	0	118.9
480	Q	41.5	Very low	40.6	Very low	204 Å²	204	151.3 Å²	151.3	95%	0.953	83%	0.826	S	S	*	*				-154.7	161.4	108.4	-105.9	170.9	15.1	0	0	109.4
481	A	40.4	Very low	40.9	Very low	100 Å²	100	152.1 Å²	152.1	83%	0.826	83%	0.827	S	S	*	*			trans	-139.1	149.2	-166.1	0	0	0	0	0	112.5
482	S	44.7	Very low	41.2	Very low	106 Å²	106	154.8 Å²	154.8	74%	0.741	83%	0.832	S	S	*	*			trans	-175.6	107.5	138.2	56.3	0	0	0	0	113.7
483	T	42.5	Very low	41.4	Very low	141 Å²	141	157.8 Å²	157.8	87%	0.865	83%	0.833	S	S	*	*			trans	60	154.8	147.2	40.4	0	0	0	0	122.2
484	P	39.8	Very low	41.6	Very low	124 Å²	124	159.4 Å²	159.4	81%	0.805	83%	0.833	S	S	*	*			trans	-117.4	166.7	-168.6	42.4	-31.2	0	0	0	115.5
485	S	47.2	Very low	42	Very low	107 Å²	107	159.3 Å²	159.3	75%	0.748	83%	0.832	S	S	*	*			trans	-150.2	113.6	159.5	59.7	0	0	0	0	112.3
486	T	48.2	Very low	42.3	Very low	132 Å²	132	156.4 Å²	156.4	81%	0.81	82%	0.824	S	S	*	*			trans	42	133.4	153.2	48.4	0	0	0	0	121.6
487	P	43.2	Very low	42.2	Very low	130 Å²	130	157.4 Å²	157.4	84%	0.844	83%	0.825	S	S	*	*			trans	-79.9	155.7	171.3	35.9	-35.2	0	0	0	112.3
488	D	48.5	Very low	42.3	Very low	155 Å²	155	153.3 Å²	153.3	83%	0.829	82%	0.821	S	S	*	*			trans	-135.5	163.6	156.6	-155.4	-10	0	0	0	109.6
489	T	42	Very low	42.3	Very low	120 Å²	120	153.7 Å²	153.7	74%	0.736	82%	0.823	S	S	*	*			trans	-98.8	-177.4	-161	42.3	0	0	0	0	113.8
490	D	42.7	Very low	42.4	Very low	156 Å²	156	155 Å²	155	83%	0.834	83%	0.826	S	S	*	*			trans	59.9	92.4	175.6	-84.7	-11.4	0	0	0	118.7
491	R	42.9	Very low	42.4	Very low	242 Å²	242	152.3 Å²	152.3	91%	0.913	81%	0.814	S	S	*	*			trans	-145.7	122.6	140.1	-116.6	168.8	-167.3	-172.5	3.5	113.6	Y493	R491-Y493 PolarHBondContact O-N 2.67Å
492	K	40	Very low	42.4	Very low	210 Å²	210	154.2 Å²	154.2	91%	0.913	81%	0.81	S	S	*	*			trans	-66.6	122.1	173.5	-68.3	173.7	178.5	172.3	0	110.3	K494	K492-K494 PolarHBondContact O-N 2.76Å
493	Y	38.6	Very low	42.2	Very low	226 Å²	226	158.2 Å²	158.2	89%	0.886	81%	0.81	S	S	*	*			trans	-70.8	112.2	170.8	-80.5	-89.7	0	0	0	110.9	R491	R491-Y493 PolarHBondContact O-N 2.67Å
494	K	41.3	Very low	42	Very low	198 Å²	198	159.4 Å²	159.4	86%	0.861	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-76.5	130.3	154.6	-94.3	-176.5	170.8	-178.3	0	108	K492	K492-K494 PolarHBondContact O-N 2.76Å
495	L	42.8	Very low	42.3	Very low	160 Å²	160	160 Å²	160	84%	0.838	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-64.8	137	164	-88.4	74.9	0	0	0	109.2
496	P	42.7	Very low	42.1	Very low	115 Å²	115	159.5 Å²	159.5	75%	0.747	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-69.1	142.7	166.3	30.5	-33.2	0	0	0	109.9	I498	P496-I498 PolarHBondContact O-N 2.64Å
497	S	36.5	Very low	42	Very low	106 Å²	106	161 Å²	161	74%	0.741	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-70.5	121.5	171.4	46.6	0	0	0	0	110.1	E499	S497-E499 PolarHBondContact O-N 2.63Å
498	I	42.7	Very low	42	Very low	168 Å²	168	164.5 Å²	164.5	86%	0.862	81%	0.806	S	S	*	*			trans	-73.1	111.4	170.1	-61.1	175.1	0	0	0	107.9	P496	P496-I498 PolarHBondContact O-N 2.64Å
499	E	41.2	Very low	41.7	Very low	167 Å²	167	160.3 Å²	160.3	78%	0.78	79%	0.792	S	S	*	*			trans	-69.7	155.3	175.4	-64.3	-169.8	123	0	0	111.7	S497 E501	S497-E499 PolarHBondContact O-N 2.63Å; E499-E501 PolarHBondContact O-N 2.87Å
500	K	41.6	Very low	41.8	Very low	188 Å²	188	159.5 Å²	159.5	82%	0.817	79%	0.787	S	S	*	*			trans	-81.2	95.1	179.9	-68.8	180	178.9	178.4	0	110.3	N502	K500-N502 PolarHBondContact O-N 2.92Å
501	E	41.5	Very low	41.8	Very low	148 Å²	148	157.9 Å²	157.9	69%	0.692	78%	0.783	S	S	*	*			trans	-64.2	96.5	164.8	-70.5	-165.4	153.6	0	0	110.3	E499 Y503	E499-E501 PolarHBondContact O-N 2.87Å; E501-Y503 HydrophobicContact CB-CD2 4.09Å; E501-Y503 HydrophobicContact CB-CE2 3.67Å; E501-Y503 HydrophobicContact CG-CE2 4.48Å; E501-Y503 PolarHBondContact O-N 2.83Å; E501-Y503 WeakPolarHBondContact OE2-CE2 3Å; E501-Y503 PolarHBondContact OE2-OH 3.2Å
502	N	39.6	Very low	41.7	Very low	140 Å²	140	151.1 Å²	151.1	75%	0.749	77%	0.772	S	S	*	*			trans	-76.2	83.6	174.6	-73.6	-33.2	0	0	0	110.3	K500 L504	K500-N502 PolarHBondContact O-N 2.92Å; N502-L504 PolarHBondContact O-N 3.08Å
503	Y	41.2	Very low	41.8	Very low	189 Å²	189	147.9 Å²	147.9	74%	0.741	76%	0.764	S	S	*	*			trans	-67.1	98.4	167.9	-74	-86.8	0	0	0	110.3	E501 L505	E501-Y503 HydrophobicContact CB-CD2 4.09Å; E501-Y503 HydrophobicContact CB-CE2 3.67Å; E501-Y503 HydrophobicContact CG-CE2 4.48Å; E501-Y503 PolarHBondContact O-N 2.83Å; E501-Y503 WeakPolarHBondContact OE2-CE2 3Å; E501-Y503 PolarHBondContact OE2-OH 3.2Å; Y503-L505 PolarHBondContact O-N 2.91Å
504	L	37.9	Very low	42.1	Very low	166 Å²	166	144.8 Å²	144.8	87%	0.869	76%	0.761	S	S	*	*			trans	-58.8	121.8	168.2	-83	156.9	0	0	0	109.9	N502	N502-L504 PolarHBondContact O-N 3.08Å
505	L	46.5	Very low	42.1	Very low	136 Å²	136	142.4 Å²	142.4	71%	0.712	76%	0.757	S	S	*	*			trans	-66.9	132.2	168.6	-83.4	155.3	0	0	0	109.3	Y503 D507	Y503-L505 PolarHBondContact O-N 2.91Å; L505-D507 PolarHBondContact O-N 2.96Å
506	P	43.6	Very low	41.8	Very low	98 Å²	98	143.9 Å²	143.9	64%	0.636	76%	0.757	S	S	*	*			trans	-74.6	111.1	173	28.9	-32.3	0	0	0	110.3	K508	P506-K508 PolarHBondContact O-N 3.32Å
507	D	44.9	Very low	41.6	Very low	164 Å²	164	147.1 Å²	147.1	88%	0.877	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.1	19	-176.9	-93.4	-26.9	0	0	0	116.4	L505	L505-D507 PolarHBondContact O-N 2.96Å
508	K	42.9	Very low	41.5	Very low	203 Å²	203	147.1 Å²	147.1	88%	0.883	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.3	4.1	-174	-66.6	-170.8	175.4	-178.1	0	115.6	P506	P506-K508 PolarHBondContact O-N 3.32Å
509	A	42	Very low	41.2	Very low	67 Å²	67	145.9 Å²	145.9	55%	0.554	77%	0.767	S	S	*	*	S	Bend	trans	-95.3	-22.1	-178.8	0	0	0	0	0	115.2	V511	A509-V511 PolarHBondContact O-N 3.41Å
510	V	44.8	Very low	40.9	Very low	103 Å²	103	146.9 Å²	146.9	62%	0.624	77%	0.772	S	S	*	*	G	3₁₀ helix	trans	-73.6	-24.5	-165.1	-178	0	0	0	0	113.9	S512	V510-S512 VanDerWaalsContact C-N 3.28Å; V510-S512 PolarHBondContact O-N 3.45Å
511	V	43	Very low	40.5	Very low	122 Å²	122	144 Å²	144	74%	0.739	78%	0.776	S	S	*	*	G	3₁₀ helix	trans	-69.5	-21.3	-173.6	-177.5	0	0	0	0	113.3	A509 I513	A509-V511 PolarHBondContact O-N 3.41Å; V511-I513 PolarHBondContact O-N 3.2Å
512	S	39.5	Very low	40	Very low	99 Å²	99	141.8 Å²	141.8	69%	0.692	78%	0.776	S	S	*	*	G	3₁₀ helix	trans	-81	-4.8	-170.5	-168.8	0	0	0	0	115.9	V510	V510-S512 VanDerWaalsContact C-N 3.28Å; V510-S512 PolarHBondContact O-N 3.45Å
513	I	44.1	Very low	39.7	Very low	143 Å²	143	141.1 Å²	141.1	73%	0.733	78%	0.778	S	S	*	*	S	Bend	trans	-103.7	-25.2	-170.3	-64.5	178.8	0	0	0	112.9	V511 L515	V511-I513 PolarHBondContact O-N 3.2Å; I513-L515 VanDerWaalsContact C-N 3.28Å; I513-L515 PolarHBondContact O-N 3.48Å
514	L	43.5	Very low	39.2	Very low	161 Å²	161	138.4 Å²	138.4	84%	0.843	78%	0.775	S	S	*	*	S	Bend	trans	-85.2	17.2	-175.8	-71.2	168.5	0	0	0	114.8
515	L	41.5	Very low	38.9	Very low	147 Å²	147	136.2 Å²	136.2	77%	0.77	77%	0.772	S	S	*	*	S	Bend	trans	-131.7	28.7	-167.1	-122	165.1	0	0	0	114.2	I513	I513-L515 VanDerWaalsContact C-N 3.28Å; I513-L515 PolarHBondContact O-N 3.48Å
516	K	37.3	Very low	38.2	Very low	192 Å²	192	139.9 Å²	139.9	84%	0.835	78%	0.777	S	S	*	*			trans	-130.6	22.2	-178.9	-80.2	-167.1	171.6	-175.4	0	115.7
517	L	37.8	Very low	37.7	Very low	183 Å²	183	145.5 Å²	145.5	96%	0.958	79%	0.785	S	S	*	*	S	Bend	trans	-124.5	57.9	175.8	-72	174.5	0	0	0	112.2
518	S	34.3	Very low	37	Very low	105 Å²	105	146.1 Å²	146.1	73%	0.734	79%	0.788	S	S	*	*			trans	-177.5	108.9	153.8	-178	0	0	0	0	111.2
519	T	36.5	Very low	36.4	Very low	143 Å²	143	145.2 Å²	145.2	88%	0.877	79%	0.786	S	S	*	*			trans	172.8	141.1	133	26.4	0	0	0	0	109.6
520	E	34.9	Very low	35.8	Very low	188 Å²	188	145.1 Å²	145.1	88%	0.879	79%	0.792	S	S	*	*			trans	-91.6	150.3	175	-57.4	171.1	120.1	0	0	110.8
521	S	33.2	Very low	35.1	Very low	128 Å²	128	148.4 Å²	148.4	90%	0.895	81%	0.805	S	S	*	*			trans	176.8	157.9	132.6	39.9	0	0	0	0	111.5
522	S	30.3	Very low	34.5	Very low	100 Å²	100	148.5 Å²	148.5	70%	0.699	81%	0.81	S	S	*	*			trans	-109.5	155.6	-179.8	57.2	0	0	0	0	111.4
523	T	33	Very low	34	Very low	127 Å²	127	148 Å²	148	78%	0.779	81%	0.811	S	S	*	*				170.4	150.9	124	34	0	0	0	0	114.9
524	L	31.1	Very low	33.6	Very low	132 Å²	132	150 Å²	150	69%	0.691	82%	0.817	S	S	*	*			trans	44.6	118	153.1	-84.9	79.5	0	0	0	122.2
525	C	31.8	Very low	33.1	Very low	120 Å²	120	148.1 Å²	148.1	81%	0.811	82%	0.818	S	S	*	*				-177.5	112	101	-89.1	0	0	0	0	109.8
526	R	32.2	Very low	32.7	Very low	212 Å²	212	148.2 Å²	148.2	80%	0.8	82%	0.819	S	S	*	*				69.8	115.5	74.9	-91.2	-167.7	173	-178.9	0.5	116.7
527	R	32.2	Very low	32.6	Very low	217 Å²	217	147.6 Å²	147.6	82%	0.819	82%	0.819	S	S	*	*			trans	68.4	110.5	153.2	-70.5	-177.7	167.9	172.9	-4.8	119.7
528	L	31.7	Very low	32.5	Very low	177 Å²	177	146.4 Å²	146.4	93%	0.927	81%	0.813	S	S	*	*				-152.3	119.4	115.1	-111.2	164.2	0	0	0	109.1
529	E	28.8	Very low	32.4	Very low	183 Å²	183	146.7 Å²	146.7	86%	0.855	82%	0.815	S	S	*	*			trans	-119.8	143.8	175.8	-68.8	174.4	115.2	0	0	109
530	G	30	Very low	32.6	Very low	65 Å²	65	145.1 Å²	145.1	67%	0.67	81%	0.81	S	S	*	*			trans	146.3	139.9	166.9	0	0	0	0	0	114.2
531	L	30.2	Very low	32.8	Very low	172 Å²	172	144.5 Å²	144.5	90%	0.901	80%	0.804	S	S	*	*			trans	66.5	118.9	168.3	-49.9	177	0	0	0	114.7
532	C	31.7	Very low	33.2	Very low	125 Å²	125	143.4 Å²	143.4	85%	0.845	79%	0.794	S	S	*	*			cis	-145.2	164.3	9.3	-80.6	0	0	0	0	111.3
533	A	29.1	Very low	34.3	Very low	87 Å²	87	144.4 Å²	144.4	72%	0.719	80%	0.798	S	S	*	*			trans	-117.4	179.4	172.4	0	0	0	0	0	111.5
534	H	34.9	Very low	36.1	Very low	185 Å²	185	146.9 Å²	146.9	86%	0.856	80%	0.801	S	S	*	*			trans	78.5	91.7	175.8	-59.8	-9	0	0	0	116.9
535	S	33	Very low	38.4	Very low	122 Å²	122	147.1 Å²	147.1	85%	0.853	80%	0.798	S	S	*	*			trans	-148.2	99.5	140.5	-175.8	0	0	0	0	108.3
536	N	32.5	Very low	40.9	Very low	150 Å²	150	143.9 Å²	143.9	80%	0.802	78%	0.776	S	S	*	*			trans	-101.2	120.1	168.5	-76.2	-21.3	0	0	0	107.1
537	E	36.3	Very low	43.6	Very low	179 Å²	179	137.5 Å²	137.5	84%	0.836	76%	0.755	S	S	*	*			trans	178.6	161.6	138.3	-101.6	163.4	-168.1	0	0	112.9
538	L	35	Very low	46.5	Very low	157 Å²	157	127.3 Å²	127.3	82%	0.822	72%	0.717	S	S	*	*			trans	46.7	71.3	173.2	-80.5	75.3	0	0	0	117.5	S540	L538-S540 PolarHBondContact O-N 3.14Å; L538-S540 VanDerWaalsContact O-N 3.12Å
539	S	32.8	Very low	49.3	Very low	112 Å²	112	122.1 Å²	122.1	78%	0.783	69%	0.694	S	S	*	*			trans	-82.9	73.9	165.5	-164.6	0	0	0	0	112.6	K541	S539-K541 PolarHBondContact O-N 3.3Å; S539-K541 VanDerWaalsContact O-N 3.13Å
540	S	39.9	Very low	52.1	Low	109 Å²	109	114.2 Å²	114.2	76%	0.762	66%	0.658	S	S	*	*			trans	-76.1	91.5	164	58.8	0	0	0	0	109.6	L538	L538-S540 PolarHBondContact O-N 3.14Å; L538-S540 VanDerWaalsContact O-N 3.12Å
541	K	40	Very low	54.8	Low	175 Å²	175	117 Å²	117	76%	0.761	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-56.9	130.4	174	-76.6	-177.5	176.7	176.3	0	109.6	S539	S539-K541 PolarHBondContact O-N 3.3Å; S539-K541 VanDerWaalsContact O-N 3.13Å
542	P	40.8	Very low	57.5	Low	106 Å²	106	109.6 Å²	109.6	69%	0.688	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-60.4	148.7	173	26.7	-34.1	0	0	0	109.8	Q544	P542-Q544 PolarHBondContact O-N 2.83Å; P542-Q544 VanDerWaalsContact O-N 3.17Å
543	P	53.3	Low	59.9	Low	121 Å²	121	108.2 Å²	108.2	79%	0.786	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-58.2	123.1	179	24.4	-33.5	0	0	0	109.7	Q545	P543-Q545 PolarHBondContact O-N 3.47Å
544	Q	71.9	Confident	62.6	Low	178 Å²	178	107.5 Å²	107.5	83%	0.832	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-65.5	118.8	177.6	-71.4	-174.3	-33	0	0	108.9	P542	P542-Q544 PolarHBondContact O-N 2.83Å; P542-Q544 VanDerWaalsContact O-N 3.17Å
545	Q	77.4	Confident	64.8	Low	137 Å²	137	105.5 Å²	105.5	64%	0.64	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-60.8	133.8	176.1	-73.2	176.4	-27.7	0	0	109.8	P543 H547	P543-Q545 PolarHBondContact O-N 3.47Å; Q545-H547 PolarHBondContact O-ND1 2.99Å; Q545-H547 VanDerWaalsContact O-ND1 3.09Å
546	P	84.6	Confident	67.5	Low	53 Å²	53	105.9 Å²	105.9	34%	0.344	59%	0.591	S	S	.	*	P	Polyproline II helix	trans	-65.1	143.1	178.1	31.4	-36.4	0	0	0	108.7	P561 A582	P546-P561 HydrophobicContact CG-CG 4.46Å; P546-P561 WeakPolarHBondContact O-CD 3.38Å; P546-A582 HydrophobicContact CB-CB 3.84Å
547	H	90.5	Very high	70.1	Confident	77 Å²	77	103 Å²	103	36%	0.356	57%	0.57	S	S	.	*			trans	-154.1	152.7	-175.8	58.5	-95.7	0	0	0	110.3	Q545 P549 H558 F559	Q545-H547 PolarHBondContact O-ND1 2.99Å; Q545-H547 VanDerWaalsContact O-ND1 3.09Å; H547-P549 WeakPolarHBondContact O-CD 3.4Å; H547-H558 AromaticContact CD2-CE1 3.94Å; H547-H558 AromaticContact CD2-ND1 3.08Å; H547-H558 PolarHBondContact CD2-ND1 3.21Å; H547-H558 AromaticContact NE2-CE1 3.54Å; H547-H558 AromaticContact NE2-ND1 3.06Å; H547-H558 PolarHBondContact NE2-ND1 2.9Å; H547-F559 CarbonylContact C-O 3.57Å; H547-F559 WeakPolarHBondContact CA-O 3.37Å; H547-F559 VanDerWaalsContact CB-O 3.26Å; H547-F559 WeakPolarHBondContact CB-O 3.47Å
548	C	92.8	Very high	72.7	Confident	3 Å²	3	99 Å²	99	2%	0.02	55%	0.551	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-95.5	106.3	178.7	-56.4	0	0	0	0	110.4	F559 C574 E583 L584	C548-F559 HydrophobicContact CB-CB 4.35Å; C548-F559 PolarHBondContact N-O 2.03Å; C548-F559 PolarHBondContact O-N 2.74Å; C548-C574 HydrophobicContact CB-CB 3.73Å; C548-C574 WeakPolarHBondContact CB-SG 3.01Å; C548-C574 PolarHBondContact N-SG 2.71Å; C548-C574 WeakPolarHBondContact SG-CA 3.35Å; C548-C574 WeakPolarHBondContact SG-CB 3.35Å; C548-C574 CovalentContact SG-SG 2.04Å; C548-C574 PolarHBondContact SG-SG 2.93Å; C548-E583 PolarHBondContact SG-O 3.38Å; C548-L584 HydrophobicContact CB-CB 4.24Å; C548-L584 HydrophobicContact CB-CD1 3.83Å
549	P	89.5	Confident	75.3	Confident	69 Å²	69	92.5 Å²	92.5	45%	0.448	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	128.8	171.7	32	-33.6	0	0	0	110.4	H547 Y557	H547-P549 WeakPolarHBondContact O-CD 3.4Å; P549-Y557 CarbonylContact C-O 3.51Å; P549-Y557 WeakPolarHBondContact CA-O 3.35Å
550	V	88.2	Confident	77.9	Confident	16 Å²	16	91.5 Å²	91.5	10%	0.097	50%	0.5	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	139.5	-177.4	-167.2	0	0	0	0	109.9	L552 K556 Y557 F559 L572 L584	V550-L552 HydrophobicContact CG1-CD1 4.48Å; V550-L552 HydrophobicContact CG1-CD2 3.85Å; V550-L552 HydrophobicContact CG1-CG 3.95Å; V550-K556 CarbonylContact O-C 3.59Å; V550-K556 WeakPolarHBondContact O-CA 3.41Å; V550-Y557 PolarHBondContact N-O 2.67Å; V550-Y557 PolarHBondContact O-N 3.14Å; V550-F559 HydrophobicContact CB-CD2 4.42Å; V550-F559 HydrophobicContact CB-CE2 3.91Å; V550-F559 HydrophobicContact CG2-CD2 3.63Å; V550-F559 HydrophobicContact CG2-CE2 3.54Å; V550-L572 HydrophobicContact CG1-CD1 4.46Å; V550-L584 HydrophobicContact CB-CD2 4.5Å; V550-L584 HydrophobicContact CG1-CD2 4.07Å; V550-L584 HydrophobicContact CG2-CD1 3.65Å; V550-L584 HydrophobicContact CG2-CD2 3.55Å; V550-L584 HydrophobicContact CG2-CG 4.19Å
551	I	87.2	Confident	80.2	Confident	123 Å²	123	88 Å²	88	63%	0.631	48%	0.475	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.2	116.7	175.6	-58.7	175.7	0	0	0	108.6	K555 K556	I551-K555 CarbonylContact C-O 3.56Å; I551-K555 WeakPolarHBondContact CA-O 3.31Å; I551-K556 HydrophobicContact CG1-CB 4.43Å; I551-K556 HydrophobicContact CG1-CG 4.21Å
552	L	85.1	Confident	82.2	Confident	18 Å²	18	82.5 Å²	82.5	9%	0.094	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	123.5	180	-56.5	174.2	0	0	0	108.8	V550 G554 K555 Y557 L565 F567 L572	V550-L552 HydrophobicContact CG1-CD1 4.48Å; V550-L552 HydrophobicContact CG1-CD2 3.85Å; V550-L552 HydrophobicContact CG1-CG 3.95Å; L552-G554 PolarHBondContact O-N 2.79Å; L552-G554 VanDerWaalsContact O-N 3.15Å; L552-K555 PolarHBondContact N-O 3.5Å; L552-K555 PolarHBondContact O-N 3.22Å; L552-Y557 HydrophobicContact CB-CD2 4.14Å; L552-Y557 HydrophobicContact CB-CE2 3.9Å; L552-Y557 HydrophobicContact CD1-CD2 4.12Å; L552-Y557 HydrophobicContact CD1-CE2 4.31Å; L552-Y557 HydrophobicContact CG-CD2 4.22Å; L552-Y557 HydrophobicContact CG-CE2 4.42Å; L552-L565 HydrophobicContact CD1-CD1 3.82Å; L552-L565 HydrophobicContact CD1-CD2 4.08Å; L552-L565 HydrophobicContact CD1-CG 4.34Å; L552-F567 HydrophobicContact CB-CD2 4.46Å; L552-F567 HydrophobicContact CB-CE2 4.21Å; L552-F567 HydrophobicContact CB-CZ 4.33Å; L552-F567 HydrophobicContact CD1-CB 4.47Å; L552-F567 HydrophobicContact CD1-CD2 4.29Å; L552-F567 HydrophobicContact CD1-CG 4.34Å; L552-F567 HydrophobicContact CD2-CD1 4.04Å; L552-F567 HydrophobicContact CD2-CE1 4.28Å; L552-F567 HydrophobicContact CD2-CG 4.24Å; L552-L572 HydrophobicContact CD1-CD1 3.75Å; L552-L572 HydrophobicContact CD2-CD1 3.74Å; L552-L572 HydrophobicContact CG-CD1 4.34Å
553	A	83.2	Confident	84.4	Confident	95 Å²	95	83.1 Å²	83.1	79%	0.785	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.9	40.5	-176.3	0	0	0	0	0	113.6	K555	A553-K555 PolarHBondContact O-N 3.15Å
554	G	85.7	Confident	85.9	Confident	72 Å²	72	79 Å²	79	74%	0.742	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.8	-12.5	-178.1	0	0	0	0	0	115.8	L552	L552-G554 PolarHBondContact O-N 2.79Å; L552-G554 VanDerWaalsContact O-N 3.15Å
555	K	80.7	Confident	86.6	Confident	143 Å²	143	72.8 Å²	72.8	62%	0.622	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88	137.8	175.5	-66.3	-176.3	-180	-177.7	0	110.7	I551 L552 A553 Y557	I551-K555 CarbonylContact C-O 3.56Å; I551-K555 WeakPolarHBondContact CA-O 3.31Å; L552-K555 PolarHBondContact N-O 3.5Å; L552-K555 PolarHBondContact O-N 3.22Å; A553-K555 PolarHBondContact O-N 3.15Å; K555-Y557 HydrophobicContact CB-CE2 3.69Å; K555-Y557 WeakPolarHBondContact O-CD2 3.5Å
556	K	89.4	Confident	87.1	Confident	130 Å²	130	74.6 Å²	74.6	57%	0.565	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96	124.7	178.2	-166.7	-170.3	-175.2	-155.4	0	110.9	V550 I551 H558	V550-K556 CarbonylContact O-C 3.59Å; V550-K556 WeakPolarHBondContact O-CA 3.41Å; I551-K556 HydrophobicContact CG1-CB 4.43Å; I551-K556 HydrophobicContact CG1-CG 4.21Å; K556-H558 WeakPolarHBondContact CE-NE2 3.39Å; K556-H558 PolarHBondContact NZ-CE1 2.67Å; K556-H558 PolarHBondContact NZ-NE2 2.91Å
557	Y	87.9	Confident	87.1	Confident	90 Å²	90	75.3 Å²	75.3	35%	0.353	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	154	175.8	-61.9	-94.7	0	0	0	109.6	P549 V550 L552 K555 F559 L565	P549-Y557 CarbonylContact C-O 3.51Å; P549-Y557 WeakPolarHBondContact CA-O 3.35Å; V550-Y557 PolarHBondContact N-O 2.67Å; V550-Y557 PolarHBondContact O-N 3.14Å; L552-Y557 HydrophobicContact CB-CD2 4.14Å; L552-Y557 HydrophobicContact CB-CE2 3.9Å; L552-Y557 HydrophobicContact CD1-CD2 4.12Å; L552-Y557 HydrophobicContact CD1-CE2 4.31Å; L552-Y557 HydrophobicContact CG-CD2 4.22Å; L552-Y557 HydrophobicContact CG-CE2 4.42Å; K555-Y557 HydrophobicContact CB-CE2 3.69Å; K555-Y557 WeakPolarHBondContact O-CD2 3.5Å; Y557-F559 HydrophobicContact CG-CZ 4.48Å; Y557-L565 HydrophobicContact CD1-CD2 4.43Å
558	H	90.6	Very high	87	Confident	96 Å²	96	81 Å²	81	44%	0.444	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	102.5	174.7	-77.9	-115.5	0	0	0	107.7	H547 K556	H547-H558 AromaticContact CD2-CE1 3.94Å; H547-H558 AromaticContact CD2-ND1 3.08Å; H547-H558 PolarHBondContact CD2-ND1 3.21Å; H547-H558 AromaticContact NE2-CE1 3.54Å; H547-H558 AromaticContact NE2-ND1 3.06Å; H547-H558 PolarHBondContact NE2-ND1 2.9Å; K556-H558 WeakPolarHBondContact CE-NE2 3.39Å; K556-H558 PolarHBondContact NZ-CE1 2.67Å; K556-H558 PolarHBondContact NZ-NE2 2.91Å
559	F	88.8	Confident	86.5	Confident	20 Å²	20	82 Å²	82	9%	0.088	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	133.3	177.2	-59.1	-77.7	0	0	0	110.4	H547 C548 V550 Y557 L565 C574 L584	H547-F559 CarbonylContact C-O 3.57Å; H547-F559 WeakPolarHBondContact CA-O 3.37Å; H547-F559 VanDerWaalsContact CB-O 3.26Å; H547-F559 WeakPolarHBondContact CB-O 3.47Å; C548-F559 HydrophobicContact CB-CB 4.35Å; C548-F559 PolarHBondContact N-O 2.03Å; C548-F559 PolarHBondContact O-N 2.74Å; V550-F559 HydrophobicContact CB-CD2 4.42Å; V550-F559 HydrophobicContact CB-CE2 3.91Å; V550-F559 HydrophobicContact CG2-CD2 3.63Å; V550-F559 HydrophobicContact CG2-CE2 3.54Å; Y557-F559 HydrophobicContact CG-CZ 4.48Å; F559-L565 HydrophobicContact CE1-CB 4.15Å; F559-L565 HydrophobicContact CE1-CD2 3.87Å; F559-L565 HydrophobicContact CE1-CG 3.87Å; F559-L565 HydrophobicContact CZ-CB 4.37Å; F559-L565 HydrophobicContact CZ-CD2 3.55Å; F559-L565 HydrophobicContact CZ-CG 3.59Å; F559-C574 HydrophobicContact CB-CB 3.65Å; F559-C574 PolarHBondContact O-SG 3.14Å; F559-L584 HydrophobicContact CD2-CD1 4.17Å
560	M	88.1	Confident	86.2	Confident	91 Å²	91	83 Å²	83	45%	0.448	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-75.1	153.1	162.2	-64.9	-177.2	69.4	0	0	109.4	F563	M560-F563 HydrophobicContact CB-CD2 3.79Å; M560-F563 HydrophobicContact CB-CE2 4.24Å; M560-F563 WeakPolarHBondContact O-CB 3.49Å; M560-F563 PolarHBondContact O-N 2.91Å
561	P	88.4	Confident	86.2	Confident	34 Å²	34	85.5 Å²	85.5	22%	0.221	46%	0.457	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	142.8	175.6	-24.3	34.2	0	0	0	112.1	P546 F563 C574 I576 A582	P546-P561 HydrophobicContact CG-CG 4.46Å; P546-P561 WeakPolarHBondContact O-CD 3.38Å; P561-F563 VanDerWaalsContact C-N 3.26Å; P561-C574 CarbonylContact C-O 3.53Å; P561-C574 WeakPolarHBondContact CA-O 3.41Å; P561-I576 HydrophobicContact CB-CD1 3.88Å; P561-I576 HydrophobicContact CB-CG1 3.38Å; P561-I576 HydrophobicContact CG-CD1 3.9Å; P561-I576 HydrophobicContact CG-CG1 3.59Å; P561-A582 HydrophobicContact CG-CB 4.33Å
562	G	83.1	Confident	86.4	Confident	61 Å²	61	80.1 Å²	80.1	63%	0.629	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.3	-14.1	-168.6	0	0	0	0	0	114.3	C574	G562-C574 PolarHBondContact N-O 2.85Å
563	F	85.6	Confident	86.7	Confident	118 Å²	118	80.8 Å²	80.8	52%	0.518	43%	0.433	S	S	.	.			trans	-102	153.4	177.9	-63.9	-98.3	0	0	0	112.4	M560 P561 C574	M560-F563 HydrophobicContact CB-CD2 3.79Å; M560-F563 HydrophobicContact CB-CE2 4.24Å; M560-F563 WeakPolarHBondContact O-CB 3.49Å; M560-F563 PolarHBondContact O-N 2.91Å; P561-F563 VanDerWaalsContact C-N 3.26Å; F563-C574 PolarHBondContact O-N 3.33Å
564	G	85.2	Confident	87.2	Confident	35 Å²	35	76.2 Å²	76.2	36%	0.361	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.1	176.2	-179.7	0	0	0	0	0	112.5	L572	G564-L572 CarbonylContact C-O 3.52Å; G564-L572 WeakPolarHBondContact CA-O 3.41Å
565	L	87.3	Confident	87.4	Confident	48 Å²	48	75.3 Å²	75.3	25%	0.251	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	164.5	168.8	71.6	72.2	0	0	0	111.5	L552 Y557 F559 F567 L572	L552-L565 HydrophobicContact CD1-CD1 3.82Å; L552-L565 HydrophobicContact CD1-CD2 4.08Å; L552-L565 HydrophobicContact CD1-CG 4.34Å; Y557-L565 HydrophobicContact CD1-CD2 4.43Å; F559-L565 HydrophobicContact CE1-CB 4.15Å; F559-L565 HydrophobicContact CE1-CD2 3.87Å; F559-L565 HydrophobicContact CE1-CG 3.87Å; F559-L565 HydrophobicContact CZ-CB 4.37Å; F559-L565 HydrophobicContact CZ-CD2 3.55Å; F559-L565 HydrophobicContact CZ-CG 3.59Å; L565-F567 HydrophobicContact CD1-CB 3.79Å; L565-L572 HydrophobicContact CD1-CD1 4.1Å; L565-L572 PolarHBondContact N-O 2.04Å; L565-L572 PolarHBondContact O-N 3.01Å
566	R	86.9	Confident	87.7	Confident	174 Å²	174	72.8 Å²	72.8	66%	0.657	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100	123.9	175.9	-155.3	-176.9	-167.2	-177.9	9.5	110.6	G569 E570	R566-G569 WeakPolarHBondContact CG-O 3.36Å; R566-G569 PolarHBondContact NE-O 3.26Å; R566-E570 CarbonylContact C-O 3.5Å; R566-E570 VanDerWaalsContact CA-O 3.24Å; R566-E570 WeakPolarHBondContact CA-O 3.03Å; R566-E570 VanDerWaalsContact CG-O 3.26Å; R566-E570 WeakPolarHBondContact CG-O 3.01Å
567	F	85.7	Confident	87.5	Confident	68 Å²	68	67.7 Å²	67.7	30%	0.298	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	124.5	-180	-168.9	-106.1	0	0	0	110.1	L552 L565 G569 E570 L572	L552-F567 HydrophobicContact CB-CD2 4.46Å; L552-F567 HydrophobicContact CB-CE2 4.21Å; L552-F567 HydrophobicContact CB-CZ 4.33Å; L552-F567 HydrophobicContact CD1-CB 4.47Å; L552-F567 HydrophobicContact CD1-CD2 4.29Å; L552-F567 HydrophobicContact CD1-CG 4.34Å; L552-F567 HydrophobicContact CD2-CD1 4.04Å; L552-F567 HydrophobicContact CD2-CE1 4.28Å; L552-F567 HydrophobicContact CD2-CG 4.24Å; L565-F567 HydrophobicContact CD1-CB 3.79Å; F567-G569 PolarHBondContact O-N 3.22Å; F567-E570 PolarHBondContact N-O 2.94Å; F567-E570 PolarHBondContact O-N 2.86Å; F567-E570 VanDerWaalsContact O-N 3.09Å; F567-L572 HydrophobicContact CB-CD1 4.08Å
568	K	86.9	Confident	87.3	Confident	196 Å²	196	70.3 Å²	70.3	85%	0.852	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.5	31.2	-178.8	-63.3	-173.4	174.3	-172.5	0	115
569	G	83.8	Confident	87.1	Confident	26 Å²	26	73.4 Å²	73.4	27%	0.268	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	103.6	-45.2	-178.4	0	0	0	0	0	112.9	R566 F567 T589	R566-G569 WeakPolarHBondContact CG-O 3.36Å; R566-G569 PolarHBondContact NE-O 3.26Å; F567-G569 PolarHBondContact O-N 3.22Å; G569-T589 WeakPolarHBondContact O-CG2 3.35Å
570	E	83.4	Confident	86.9	Confident	89 Å²	89	74.6 Å²	74.6	42%	0.416	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	143.3	179.9	-55.1	-176.3	146	0	0	112.1	R566 F567 Y587	R566-E570 CarbonylContact C-O 3.5Å; R566-E570 VanDerWaalsContact CA-O 3.24Å; R566-E570 WeakPolarHBondContact CA-O 3.03Å; R566-E570 VanDerWaalsContact CG-O 3.26Å; R566-E570 WeakPolarHBondContact CG-O 3.01Å; F567-E570 PolarHBondContact N-O 2.94Å; F567-E570 PolarHBondContact O-N 2.86Å; F567-E570 VanDerWaalsContact O-N 3.09Å; E570-Y587 WeakPolarHBondContact CA-O 3.39Å
571	L	87	Confident	86.9	Confident	69 Å²	69	74.1 Å²	74.1	36%	0.361	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	120.1	168.9	173.5	65.8	0	0	0	108.9	Y587	L571-Y587 HydrophobicContact CB-CD2 4.38Å; L571-Y587 HydrophobicContact CD2-CD2 4.1Å; L571-Y587 HydrophobicContact CG-CD2 4.19Å; L571-Y587 PolarHBondContact N-O 3.01Å; L571-Y587 PolarHBondContact O-N 2.86Å
572	L	91.5	Very high	86.8	Confident	9 Å²	9	73.8 Å²	73.8	5%	0.047	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	118.4	171.3	-55.3	174	0	0	0	107.6	V550 L552 G564 L565 F567 L584 F585 T586	V550-L572 HydrophobicContact CG1-CD1 4.46Å; L552-L572 HydrophobicContact CD1-CD1 3.75Å; L552-L572 HydrophobicContact CD2-CD1 3.74Å; L552-L572 HydrophobicContact CG-CD1 4.34Å; G564-L572 CarbonylContact C-O 3.52Å; G564-L572 WeakPolarHBondContact CA-O 3.41Å; L565-L572 HydrophobicContact CD1-CD1 4.1Å; L565-L572 PolarHBondContact N-O 2.04Å; L565-L572 PolarHBondContact O-N 3.01Å; F567-L572 HydrophobicContact CB-CD1 4.08Å; L572-L584 HydrophobicContact CB-CD1 4.46Å; L572-L584 HydrophobicContact CD2-CD2 4.43Å; L572-F585 WeakPolarHBondContact CA-O 3.48Å; L572-T586 HydrophobicContact CD2-CG2 3.55Å
573	L	90.8	Very high	87.2	Confident	32 Å²	32	74.4 Å²	74.4	17%	0.168	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	139.5	178.9	-170.3	68	0	0	0	110.2	E575 L584 F585 Y587	L573-E575 HydrophobicContact CD2-CG 3.75Å; L573-E575 WeakPolarHBondContact CD2-OE1 3.41Å; L573-E575 HydrophobicContact CG-CG 4.06Å; L573-L584 CarbonylContact O-C 3.4Å; L573-L584 WeakPolarHBondContact O-CA 3.34Å; L573-F585 PolarHBondContact N-O 2.98Å; L573-F585 PolarHBondContact O-N 3.07Å; L573-Y587 HydrophobicContact CB-CD2 4.38Å; L573-Y587 HydrophobicContact CB-CE2 3.73Å; L573-Y587 HydrophobicContact CD2-CE2 3.85Å; L573-Y587 HydrophobicContact CG-CE2 4.46Å
574	C	93.8	Very high	87.4	Confident	0 Å²	0	71.5 Å²	71.5	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	119.9	168.9	-167	0	0	0	0	109.1	C548 F559 P561 G562 F563 E583	C548-C574 HydrophobicContact CB-CB 3.73Å; C548-C574 WeakPolarHBondContact CB-SG 3.01Å; C548-C574 PolarHBondContact N-SG 2.71Å; C548-C574 WeakPolarHBondContact SG-CA 3.35Å; C548-C574 WeakPolarHBondContact SG-CB 3.35Å; C548-C574 CovalentContact SG-SG 2.04Å; C548-C574 PolarHBondContact SG-SG 2.93Å; F559-C574 HydrophobicContact CB-CB 3.65Å; F559-C574 PolarHBondContact O-SG 3.14Å; P561-C574 CarbonylContact C-O 3.53Å; P561-C574 WeakPolarHBondContact CA-O 3.41Å; G562-C574 PolarHBondContact N-O 2.85Å; F563-C574 PolarHBondContact O-N 3.33Å; C574-E583 WeakPolarHBondContact CA-O 3.49Å
575	E	91.1	Very high	87.6	Confident	52 Å²	52	73.3 Å²	73.3	24%	0.243	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	169.2	169.4	-55	-150.6	143.7	0	0	110.3	L573 A582 E583 F585 K653	L573-E575 HydrophobicContact CD2-CG 3.75Å; L573-E575 WeakPolarHBondContact CD2-OE1 3.41Å; L573-E575 HydrophobicContact CG-CG 4.06Å; E575-A582 WeakPolarHBondContact O-CA 3.4Å; E575-E583 PolarHBondContact N-O 3.06Å; E575-E583 PolarHBondContact O-N 2.82Å; E575-F585 HydrophobicContact CB-CD2 3.98Å; E575-F585 HydrophobicContact CB-CE2 3.79Å; E575-F585 HydrophobicContact CG-CD2 4.04Å; E575-F585 HydrophobicContact CG-CE2 4.33Å; E575-K653 IonicContact OE1-NZ 3.62Å; E575-K653 PolarHBondContact OE1-NZ 3.29Å; E575-K653 IonicContact OE2-NZ 3.98Å; E575-K653 PolarHBondContact OE2-NZ 3.09Å
576	I	86.7	Confident	87.6	Confident	91 Å²	91	73 Å²	73	47%	0.467	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	127.5	172.5	-46.4	-172.1	0	0	0	108.4	P561 G580 N581	P561-I576 HydrophobicContact CB-CD1 3.88Å; P561-I576 HydrophobicContact CB-CG1 3.38Å; P561-I576 HydrophobicContact CG-CD1 3.9Å; P561-I576 HydrophobicContact CG-CG1 3.59Å; I576-G580 VanDerWaalsContact CG2-C 3.46Å; I576-G580 VanDerWaalsContact CG2-CA 3.48Å; I576-N581 CarbonylContact C-O 3.59Å; I576-N581 VanDerWaalsContact CA-O 3.31Å; I576-N581 WeakPolarHBondContact CA-O 3.48Å
577	D	85.7	Confident	87.3	Confident	22 Å²	22	68.1 Å²	68.1	12%	0.118	36%	0.355	C	S	.	.			trans	-68.1	168.2	172.8	94.9	-37.1	0	0	0	111.4	K579 G580 N581 E583	D577-K579 PolarHBondContact O-N 3.43Å; D577-K579 VanDerWaalsContact OD1-C 3.28Å; D577-K579 WeakPolarHBondContact OD1-CA 3.47Å; D577-K579 WeakPolarHBondContact OD1-CB 2.99Å; D577-K579 PolarHBondContact OD1-N 3.07Å; D577-K579 WeakPolarHBondContact OD2-CD 3.36Å; D577-K579 WeakPolarHBondContact OD2-CG 3.38Å; D577-K579 IonicContact OD2-NZ 2.74Å; D577-K579 PolarHBondContact OD2-NZ 2.87Å; D577-K579 VanDerWaalsContact OD2-NZ 3.16Å; D577-G580 PolarHBondContact O-N 3.04Å; D577-G580 VanDerWaalsContact O-N 3.07Å; D577-G580 PolarHBondContact OD1-N 3.11Å; D577-N581 PolarHBondContact N-O 3.39Å; D577-N581 WeakPolarHBondContact OD1-CB 3.33Å; D577-N581 PolarHBondContact OD1-N 3.48Å; D577-N581 PolarHBondContact OD1-ND2 2.87Å; D577-N581 PolarHBondContact OD2-ND2 3.34Å; D577-E583 HydrophobicContact CB-CG 4.24Å
578	T	83.1	Confident	86.6	Confident	146 Å²	146	67.3 Å²	67.3	90%	0.896	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	3.8	178.5	52.1	0	0	0	0	114.6
579	K	87.3	Confident	84.9	Confident	161 Å²	161	61.6 Å²	61.6	70%	0.7	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.4	6	179.7	-48.9	170.4	-158	108.3	0	112.4	D577 N581	D577-K579 PolarHBondContact O-N 3.43Å; D577-K579 VanDerWaalsContact OD1-C 3.28Å; D577-K579 WeakPolarHBondContact OD1-CA 3.47Å; D577-K579 WeakPolarHBondContact OD1-CB 2.99Å; D577-K579 PolarHBondContact OD1-N 3.07Å; D577-K579 WeakPolarHBondContact OD2-CD 3.36Å; D577-K579 WeakPolarHBondContact OD2-CG 3.38Å; D577-K579 IonicContact OD2-NZ 2.74Å; D577-K579 PolarHBondContact OD2-NZ 2.87Å; D577-K579 VanDerWaalsContact OD2-NZ 3.16Å; K579-N581 WeakPolarHBondContact CB-ND2 3.49Å
580	G	84.4	Confident	82.9	Confident	45 Å²	45	64.2 Å²	64.2	46%	0.464	36%	0.358	S	S	.	.	S	Bend	trans	87.7	7.2	177.4	0	0	0	0	0	115.8	I576 D577	I576-G580 VanDerWaalsContact CG2-C 3.46Å; I576-G580 VanDerWaalsContact CG2-CA 3.48Å; D577-G580 PolarHBondContact O-N 3.04Å; D577-G580 VanDerWaalsContact O-N 3.07Å; D577-G580 PolarHBondContact OD1-N 3.11Å
581	N	87.4	Confident	81.3	Confident	80 Å²	80	64.5 Å²	64.5	43%	0.428	36%	0.362	S	S	.	.			trans	-85.9	140.2	177.5	-50.3	-81.5	0	0	0	110.3	I576 D577 K579 E583	I576-N581 CarbonylContact C-O 3.59Å; I576-N581 VanDerWaalsContact CA-O 3.31Å; I576-N581 WeakPolarHBondContact CA-O 3.48Å; D577-N581 PolarHBondContact N-O 3.39Å; D577-N581 WeakPolarHBondContact OD1-CB 3.33Å; D577-N581 PolarHBondContact OD1-N 3.48Å; D577-N581 PolarHBondContact OD1-ND2 2.87Å; D577-N581 PolarHBondContact OD2-ND2 3.34Å; K579-N581 WeakPolarHBondContact CB-ND2 3.49Å; N581-E583 PolarHBondContact O-N 3.28Å
582	A	87.2	Confident	79.2	Confident	27 Å²	27	65.6 Å²	65.6	22%	0.223	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	119.5	167.5	0	0	0	0	0	110.1	P546 P561 E575	P546-A582 HydrophobicContact CB-CB 3.84Å; P561-A582 HydrophobicContact CG-CB 4.33Å; E575-A582 WeakPolarHBondContact O-CA 3.4Å
583	E	90.2	Very high	77	Confident	74 Å²	74	73.1 Å²	73.1	35%	0.346	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	143.6	177.2	-66.2	-165.6	146.4	0	0	110.7	C548 C574 E575 D577 N581 F585	C548-E583 PolarHBondContact SG-O 3.38Å; C574-E583 WeakPolarHBondContact CA-O 3.49Å; E575-E583 PolarHBondContact N-O 3.06Å; E575-E583 PolarHBondContact O-N 2.82Å; D577-E583 HydrophobicContact CB-CG 4.24Å; N581-E583 PolarHBondContact O-N 3.28Å; E583-F585 HydrophobicContact CB-CE2 3.69Å; E583-F585 HydrophobicContact CB-CZ 3.94Å; E583-F585 WeakPolarHBondContact O-CD2 3.38Å; E583-F585 WeakPolarHBondContact O-CE2 3.38Å
584	L	90.8	Very high	74.7	Confident	57 Å²	57	78.3 Å²	78.3	30%	0.298	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	121.8	-178.7	-169	83.2	0	0	0	110.6	C548 V550 F559 L572 L573	C548-L584 HydrophobicContact CB-CB 4.24Å; C548-L584 HydrophobicContact CB-CD1 3.83Å; V550-L584 HydrophobicContact CB-CD2 4.5Å; V550-L584 HydrophobicContact CG1-CD2 4.07Å; V550-L584 HydrophobicContact CG2-CD1 3.65Å; V550-L584 HydrophobicContact CG2-CD2 3.55Å; V550-L584 HydrophobicContact CG2-CG 4.19Å; F559-L584 HydrophobicContact CD2-CD1 4.17Å; L572-L584 HydrophobicContact CB-CD1 4.46Å; L572-L584 HydrophobicContact CD2-CD2 4.43Å; L573-L584 CarbonylContact O-C 3.4Å; L573-L584 WeakPolarHBondContact O-CA 3.34Å
585	F	89.9	Confident	72	Confident	73 Å²	73	87 Å²	87	32%	0.32	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	127.7	179.7	-63.1	-89.8	0	0	0	110.7	L572 L573 E575 E583 Y587	L572-F585 WeakPolarHBondContact CA-O 3.48Å; L573-F585 PolarHBondContact N-O 2.98Å; L573-F585 PolarHBondContact O-N 3.07Å; E575-F585 HydrophobicContact CB-CD2 3.98Å; E575-F585 HydrophobicContact CB-CE2 3.79Å; E575-F585 HydrophobicContact CG-CD2 4.04Å; E575-F585 HydrophobicContact CG-CE2 4.33Å; E583-F585 HydrophobicContact CB-CE2 3.69Å; E583-F585 HydrophobicContact CB-CZ 3.94Å; E583-F585 WeakPolarHBondContact O-CD2 3.38Å; E583-F585 WeakPolarHBondContact O-CE2 3.38Å; F585-Y587 HydrophobicContact CB-CE2 3.78Å
586	T	86	Confident	69.3	Low	41 Å²	41	89.3 Å²	89.3	25%	0.252	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	102.3	175.6	42.3	0	0	0	0	109.9	L572 V603	L572-T586 HydrophobicContact CD2-CG2 3.55Å; T586-V603 HydrophobicContact CG2-CB 4.36Å; T586-V603 HydrophobicContact CG2-CG2 3.96Å
587	Y	80	Confident	66.8	Low	72 Å²	72	93.7 Å²	93.7	28%	0.282	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	105.5	172.9	-51.6	-84.2	0	0	0	110.2	E570 L571 L573 F585	E570-Y587 WeakPolarHBondContact CA-O 3.39Å; L571-Y587 HydrophobicContact CB-CD2 4.38Å; L571-Y587 HydrophobicContact CD2-CD2 4.1Å; L571-Y587 HydrophobicContact CG-CD2 4.19Å; L571-Y587 PolarHBondContact N-O 3.01Å; L571-Y587 PolarHBondContact O-N 2.86Å; L573-Y587 HydrophobicContact CB-CD2 4.38Å; L573-Y587 HydrophobicContact CB-CE2 3.73Å; L573-Y587 HydrophobicContact CD2-CE2 3.85Å; L573-Y587 HydrophobicContact CG-CE2 4.46Å; F585-Y587 HydrophobicContact CB-CE2 3.78Å
588	G	71.5	Confident	64.4	Low	51 Å²	51	99.7 Å²	99.7	53%	0.526	54%	0.539	S	S	.	.			trans	-62.3	136.8	169.9	0	0	0	0	0	111.4	V590	G588-V590 PolarHBondContact O-N 3.06Å
589	T	52.4	Low	62.1	Low	77 Å²	77	98.6 Å²	98.6	47%	0.472	53%	0.527	S	S	.	.			trans	-79.4	108.8	171.2	46.6	0	0	0	0	110	G569 D591	G569-T589 WeakPolarHBondContact O-CG2 3.35Å; T589-D591 PolarHBondContact O-N 2.81Å
590	V	41.8	Very low	59.4	Low	80 Å²	80	101.5 Å²	101.5	49%	0.485	53%	0.534	S	S	.	.			trans	-60.8	133	165	-165.9	0	0	0	0	108.5	G588 K594 P596	G588-V590 PolarHBondContact O-N 3.06Å; V590-K594 WeakPolarHBondContact CG1-O 3.45Å; V590-P596 HydrophobicContact CG2-CB 4.23Å
591	D	49.3	Very low	56.8	Low	95 Å²	95	105.6 Å²	105.6	51%	0.508	55%	0.545	S	S	.	.			trans	-49.8	139.9	167.4	-88.3	-35.1	0	0	0	109.8	T589 H593 K594	T589-D591 PolarHBondContact O-N 2.81Å; D591-H593 PolarHBondContact O-N 2.87Å; D591-K594 HydrophobicContact CB-CB 4.47Å; D591-K594 HydrophobicContact CB-CD 4.21Å; D591-K594 HydrophobicContact CB-CG 4.38Å; D591-K594 PolarHBondContact O-N 3.29Å; D591-K594 IonicContact OD2-NZ 3.16Å; D591-K594 PolarHBondContact OD2-NZ 3.27Å
592	S	43.1	Very low	54.1	Low	93 Å²	93	107.9 Å²	107.9	65%	0.65	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.1	7.8	179.4	45.4	0	0	0	0	115.5
593	H	44.5	Very low	51.5	Low	167 Å²	167	111.4 Å²	111.4	77%	0.773	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137.2	11.3	-170.6	-54.2	-66.4	0	0	0	113.7	D591	D591-H593 PolarHBondContact O-N 2.87Å
594	K	43	Very low	48.6	Very low	141 Å²	141	116.5 Å²	116.5	61%	0.613	60%	0.604	S	S	*	*	S	Bend	trans	-134.3	144.4	179.7	-67.2	173	-171.6	149	0	111.2	V590 D591	V590-K594 WeakPolarHBondContact CG1-O 3.45Å; D591-K594 HydrophobicContact CB-CB 4.47Å; D591-K594 HydrophobicContact CB-CD 4.21Å; D591-K594 HydrophobicContact CB-CG 4.38Å; D591-K594 PolarHBondContact O-N 3.29Å; D591-K594 IonicContact OD2-NZ 3.16Å; D591-K594 PolarHBondContact OD2-NZ 3.27Å
595	E	36.5	Very low	45.9	Very low	181 Å²	181	118 Å²	118	85%	0.846	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-68.7	143.3	171.7	-63.9	-177.9	141.4	0	0	110.7	K597	E595-K597 PolarHBondContact O-N 3.49Å
596	P	33.9	Very low	43.3	Very low	102 Å²	102	120.8 Å²	120.8	66%	0.662	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-71.9	121.9	-180	28.6	-33.7	0	0	0	111.5	V590	V590-P596 HydrophobicContact CG2-CB 4.23Å
597	K	35.5	Very low	40.8	Very low	183 Å²	183	128 Å²	128	80%	0.796	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-78	142.6	162.6	-73	-169.8	172.2	-170.4	0	110.6	E595 D599	E595-K597 PolarHBondContact O-N 3.49Å; K597-D599 PolarHBondContact O-N 2.97Å
598	L	34.6	Very low	38.5	Very low	148 Å²	148	127.9 Å²	127.9	78%	0.775	69%	0.687	S	S	*	*			trans	-83.5	52.9	-177.2	-83.2	159.8	0	0	0	112.8
599	D	34.8	Very low	36.6	Very low	123 Å²	123	131.2 Å²	131.2	66%	0.658	70%	0.702	S	S	*	*			trans	-101.6	96.5	178.5	-68	-56	0	0	0	110.9	K597	K597-D599 PolarHBondContact O-N 2.97Å
600	W	29.9	Very low	35.9	Very low	222 Å²	222	136.3 Å²	136.3	84%	0.841	72%	0.718	S	S	*	*			trans	-88.8	108.9	-176.7	-63.6	69	0	0	0	111.2
601	N	31.3	Very low	35.7	Very low	130 Å²	130	140.4 Å²	140.4	70%	0.695	74%	0.737	S	S	*	*			trans	-106.2	107.1	176.3	-74.2	-66.1	0	0	0	111.5	V603	N601-V603 PolarHBondContact O-N 3.31Å
602	V	29.8	Very low	35	Very low	129 Å²	129	145.4 Å²	145.4	78%	0.782	75%	0.754	S	S	*	*			trans	-78	105.5	170	179	0	0	0	0	108.7
603	V	32.6	Very low	34.7	Very low	100 Å²	100	148.9 Å²	148.9	61%	0.606	77%	0.766	S	S	*	*			trans	-67.4	135	174.6	-178	0	0	0	0	109.7	T586 N601 V605	T586-V603 HydrophobicContact CG2-CB 4.36Å; T586-V603 HydrophobicContact CG2-CG2 3.96Å; N601-V603 PolarHBondContact O-N 3.31Å; V603-V605 PolarHBondContact O-N 2.85Å; V603-V605 VanDerWaalsContact O-N 3.14Å
604	Q	29.4	Very low	34.2	Very low	182 Å²	182	146.6 Å²	146.6	85%	0.85	77%	0.768	S	S	*	*			trans	-54.8	111.6	-162.6	-171.5	178.1	11.7	0	0	114.3	V606	Q604-V606 PolarHBondContact O-N 3.48Å
605	V	33.3	Very low	33.8	Very low	87 Å²	87	146.7 Å²	146.7	53%	0.527	78%	0.78	S	S	.	*			trans	-70.3	118.4	179.3	178	0	0	0	0	111.4	V603 K607	V603-V605 PolarHBondContact O-N 2.85Å; V603-V605 VanDerWaalsContact O-N 3.14Å; V605-K607 PolarHBondContact O-N 2.89Å; V605-K607 VanDerWaalsContact O-N 3.12Å
606	V	35.9	Very low	33.6	Very low	132 Å²	132	147.3 Å²	147.3	80%	0.8	78%	0.78	S	S	*	*			trans	-73.7	98.9	168.5	-178	0	0	0	0	108.9	Q604 G608	Q604-V606 PolarHBondContact O-N 3.48Å; V606-G608 PolarHBondContact O-N 3.04Å; V606-G608 VanDerWaalsContact O-N 3.08Å
607	K	33.6	Very low	33.6	Very low	192 Å²	192	148.3 Å²	148.3	84%	0.835	79%	0.787	S	S	*	*			trans	-56.7	113.2	179.1	-82.3	179.4	174.8	170.1	0	111.8	V605	V605-K607 PolarHBondContact O-N 2.89Å; V605-K607 VanDerWaalsContact O-N 3.12Å
608	G	32.5	Very low	33.9	Very low	70 Å²	70	145.1 Å²	145.1	72%	0.722	79%	0.788	S	S	*	*			trans	-59.6	138	165.9	0	0	0	0	0	111.2	V606 K610	V606-G608 PolarHBondContact O-N 3.04Å; V606-G608 VanDerWaalsContact O-N 3.08Å; G608-K610 PolarHBondContact O-N 2.93Å
609	S	31.7	Very low	33.9	Very low	121 Å²	121	144.9 Å²	144.9	85%	0.846	79%	0.787	S	S	*	*			trans	-67.9	130.9	-176.9	-172.3	0	0	0	0	111.9	N611	S609-N611 PolarHBondContact O-N 2.85Å
610	K	37.3	Very low	34	Very low	184 Å²	184	144.2 Å²	144.2	80%	0.8	79%	0.789	S	S	*	*			trans	-78.8	115.3	170.8	-70.9	-168.7	175.5	-169.7	0	109.9	G608 K612	G608-K610 PolarHBondContact O-N 2.93Å; K610-K612 PolarHBondContact O-N 3.01Å
611	N	37.5	Very low	34.4	Very low	166 Å²	166	142.4 Å²	142.4	89%	0.888	79%	0.79	S	S	*	*			trans	-61.1	118.6	164.8	-101.5	-15.5	0	0	0	109.5	S609 N613	S609-N611 PolarHBondContact O-N 2.85Å; N611-N613 PolarHBondContact O-N 2.97Å
612	K	33.5	Very low	34.4	Very low	201 Å²	201	143 Å²	143	87%	0.874	79%	0.793	S	S	*	*			trans	-78.8	104.1	175.5	-68.7	180	179.8	177.5	0	109.7	K610	K610-K612 PolarHBondContact O-N 3.01Å
613	N	38.5	Very low	34.6	Very low	166 Å²	166	143.1 Å²	143.1	89%	0.888	80%	0.798	S	S	*	*			trans	-140.5	101.4	154.5	-97.8	-19.5	0	0	0	107.8	N611	N611-N613 PolarHBondContact O-N 2.97Å
614	S	33.3	Very low	34.6	Very low	119 Å²	119	145.4 Å²	145.4	83%	0.832	81%	0.807	S	S	*	*			trans	-96.3	108.6	-173.8	52.3	0	0	0	0	111.2
615	V	34.4	Very low	35.3	Very low	143 Å²	143	142 Å²	142	87%	0.867	80%	0.803	S	S	*	*			trans	-90.4	135.6	158.9	-178.2	0	0	0	0	107.7
616	K	31.6	Very low	35.3	Very low	194 Å²	194	145.6 Å²	145.6	84%	0.843	82%	0.818	S	S	*	*			trans	-105.3	110.5	-166.4	-174.7	-174.9	-176.8	-173.3	0	110.1
617	P	35.7	Very low	35.5	Very low	123 Å²	123	148.8 Å²	148.8	80%	0.799	83%	0.825	S	S	*	*			trans	-69.4	139.1	172.7	-13.3	28.8	0	0	0	110.3
618	S	40.1	Very low	35.6	Very low	116 Å²	116	147 Å²	147	81%	0.811	82%	0.824	S	S	*	*			trans	-88.9	147.6	172.5	48.7	0	0	0	0	111.9
619	N	36	Very low	35.7	Very low	142 Å²	142	148.4 Å²	148.4	76%	0.759	82%	0.82	S	S	*	*			trans	-42.1	137.2	-179.1	-151.4	49.7	0	0	0	115.3
620	P	35.8	Very low	35.3	Very low	109 Å²	109	148.5 Å²	148.5	71%	0.708	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-84.9	138.7	159.3	34.1	-30.1	0	0	0	110.6
621	E	38.9	Very low	34.9	Very low	184 Å²	184	146.1 Å²	146.1	86%	0.86	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-93.2	155	171	-69.7	-171.6	126.9	0	0	111.8
622	L	30.9	Very low	34.3	Very low	144 Å²	144	146.3 Å²	146.3	75%	0.754	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-80	147	175	-83.8	69.2	0	0	0	110.7
623	C	34.2	Very low	34	Very low	131 Å²	131	147.6 Å²	147.6	89%	0.885	82%	0.817	S	S	*	*			trans	-135.5	131.2	156.8	-81.9	0	0	0	0	109
624	N	33.2	Very low	33.4	Very low	148 Å²	148	147.4 Å²	147.4	79%	0.791	81%	0.81	S	S	*	*			trans	-116.9	114.3	-178.9	-65.2	-37.6	0	0	0	110.4
625	S	43.4	Very low	33	Very low	111 Å²	111	150.2 Å²	150.2	78%	0.776	81%	0.81	S	S	*	*			trans	-178.2	124.4	153.3	-143.9	0	0	0	0	104.5
626	L	33.2	Very low	32.7	Very low	161 Å²	161	150.6 Å²	150.6	84%	0.843	81%	0.807	S	S	*	*			cis	62.4	83.3	43.3	-151.3	85.2	0	0	0	112.5
627	E	40.7	Very low	32.5	Very low	200 Å²	200	148.1 Å²	148.1	94%	0.935	80%	0.803	S	S	*	*			trans	-163.1	162.4	133.8	-106.5	169.2	-159.3	0	0	109.4
628	D	34.7	Very low	32.1	Very low	155 Å²	155	147.6 Å²	147.6	83%	0.829	80%	0.797	S	S	*	*			trans	-102.2	-175.6	-158.8	-118.7	-30.5	0	0	0	112.6
629	P	35.6	Very low	31.7	Very low	98 Å²	98	148.9 Å²	148.9	64%	0.636	80%	0.795	S	S	*	*			cis	-136.6	179.2	-17.4	34.9	-14.7	0	0	0	115.7
630	C	23.9	Very low	31.6	Very low	124 Å²	124	149.2 Å²	149.2	84%	0.838	80%	0.795	S	S	*	*			trans	41.1	108.1	147	-68.3	0	0	0	0	120.9
631	V	27.2	Very low	32	Very low	133 Å²	133	154.8 Å²	154.8	81%	0.806	80%	0.804	S	S	*	*			trans	-126.1	126.5	150.5	178.2	0	0	0	0	109.3
632	Q	25	Very low	33.1	Very low	171 Å²	171	151.8 Å²	151.8	80%	0.799	79%	0.79	S	S	*	*			trans	-75.2	132.4	175.5	-66.2	171.4	-59.3	0	0	110.4
633	Y	26.9	Very low	35.2	Very low	228 Å²	228	151.7 Å²	151.7	89%	0.894	79%	0.786	S	S	*	*			trans	-80.3	116.1	161.7	-77.6	-91.5	0	0	0	108.6	E635	Y633-E635 PolarHBondContact O-N 3Å
634	H	26.8	Very low	37.6	Very low	161 Å²	161	147.7 Å²	147.7	75%	0.745	76%	0.758	S	S	*	*			trans	-77.6	114.8	160.7	-91.2	-78.2	0	0	0	108.5
635	E	25.7	Very low	40.2	Very low	179 Å²	179	141.7 Å²	141.7	84%	0.836	73%	0.725	S	S	*	*			trans	-62.3	129.4	163.1	-157.1	151.9	-135.4	0	0	107.9	Y633	Y633-E635 PolarHBondContact O-N 3Å
636	L	27.8	Very low	42.3	Very low	151 Å²	151	136.5 Å²	136.5	79%	0.791	69%	0.689	S	S	*	*			trans	-120.6	97.8	178.5	-95	169.1	0	0	0	107.3	V638	L636-V638 PolarHBondContact O-N 3.38Å
637	D	26.2	Very low	45	Very low	142 Å²	142	132.1 Å²	132.1	76%	0.759	66%	0.664	S	S	*	*			trans	-58.6	120.7	169.4	-69.1	-51	0	0	0	109.3
638	V	28.9	Very low	47.1	Very low	111 Å²	111	123 Å²	123	67%	0.673	62%	0.622	S	S	*	*			trans	-122	96.6	169.9	-179.8	0	0	0	0	105.9	L636 L640	L636-V638 PolarHBondContact O-N 3.38Å; V638-L640 HydrophobicContact CG1-CG 4.37Å; V638-L640 PolarHBondContact O-N 2.96Å
639	D	30	Very low	49.3	Very low	144 Å²	144	121.8 Å²	121.8	77%	0.77	61%	0.613	S	S	*	*			trans	-65	73.8	178.6	-72.2	-49	0	0	0	111.8	Y641	D639-Y641 PolarHBondContact O-N 3.29Å
640	L	34.3	Very low	51.3	Low	148 Å²	148	117.6 Å²	117.6	78%	0.775	59%	0.586	S	S	*	*			trans	-74.5	105.4	160.6	-79.2	165.1	0	0	0	107.6	V638 E642	V638-L640 HydrophobicContact CG1-CG 4.37Å; V638-L640 PolarHBondContact O-N 2.96Å; L640-E642 VanDerWaalsContact C-N 3.34Å; L640-E642 PolarHBondContact O-N 3.29Å
641	Y	44.3	Very low	53.9	Low	226 Å²	226	117.1 Å²	117.1	89%	0.886	57%	0.57	S	S	*	*			trans	-56.6	93.3	168.8	-87.7	-102.9	0	0	0	110.1	D639 Q643	D639-Y641 PolarHBondContact O-N 3.29Å; Y641-Q643 PolarHBondContact O-N 3.2Å
642	E	62.2	Low	56.3	Low	121 Å²	121	119.3 Å²	119.3	57%	0.565	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-60.1	135.1	164.9	-77.5	-156.5	137.7	0	0	108.5	L640 H645 R656	L640-E642 VanDerWaalsContact C-N 3.34Å; L640-E642 PolarHBondContact O-N 3.29Å; E642-H645 IonicContact OE2-CE1 2.73Å; E642-H645 PolarHBondContact OE2-CE1 2.95Å; E642-R656 IonicContact OE1-CZ 2.7Å; E642-R656 IonicContact OE1-NH1 2.73Å; E642-R656 PolarHBondContact OE1-NH1 3.35Å; E642-R656 IonicContact OE1-NH2 2.89Å; E642-R656 PolarHBondContact OE1-NH2 3.02Å; E642-R656 IonicContact OE2-CZ 3.85Å; E642-R656 IonicContact OE2-NH1 3.06Å; E642-R656 IonicContact OE2-NH2 3.32Å
643	Q	75.2	Confident	58.2	Low	142 Å²	142	115.6 Å²	115.6	66%	0.664	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-66.4	141.6	172.3	-69.6	-176.5	-4.6	0	0	109.8	Y641 H645	Y641-Q643 PolarHBondContact O-N 3.2Å; Q643-H645 PolarHBondContact O-N 2.77Å; Q643-H645 PolarHBondContact O-ND1 3.48Å
644	P	83.5	Confident	60.8	Low	48 Å²	48	108.6 Å²	108.6	31%	0.312	53%	0.533	S	S	.	.	P	Polyproline II helix	trans	-57.8	123.8	177.7	-24.7	34.4	0	0	0	110.6	P659 M674 V680	P644-P659 WeakPolarHBondContact O-CD 3.5Å; P644-M674 HydrophobicContact CB-CE 3.72Å; P644-M674 HydrophobicContact CG-CE 3.77Å; P644-V680 HydrophobicContact CB-CB 4.47Å; P644-V680 HydrophobicContact CB-CG1 3.79Å; P644-V680 HydrophobicContact CB-CG2 3.9Å
645	H	87.8	Confident	63.5	Low	21 Å²	21	105.7 Å²	105.7	10%	0.097	52%	0.516	C	S	.	.			trans	-142	143.7	-174.1	65.8	-87.2	0	0	0	111.4	E642 Q643 Q647 R656 F657	E642-H645 IonicContact OE2-CE1 2.73Å; E642-H645 PolarHBondContact OE2-CE1 2.95Å; Q643-H645 PolarHBondContact O-N 2.77Å; Q643-H645 PolarHBondContact O-ND1 3.48Å; H645-Q647 PolarHBondContact NE2-NE2 2.9Å; H645-R656 PolarHBondContact NE2-NE 2.89Å; H645-F657 CarbonylContact C-O 3.26Å; H645-F657 WeakPolarHBondContact CA-O 3.41Å; H645-F657 WeakPolarHBondContact CB-O 3.34Å
646	C	89.5	Confident	66.5	Low	3 Å²	3	103.8 Å²	103.8	2%	0.02	50%	0.501	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	148.2	174.7	-57.1	0	0	0	0	110.7	R656 F657 C672 L682	C646-R656 CarbonylContact O-C 3.56Å; C646-R656 WeakPolarHBondContact O-CA 3.4Å; C646-F657 HydrophobicContact CB-CB 4.4Å; C646-F657 PolarHBondContact N-O 3.16Å; C646-F657 PolarHBondContact O-N 3.07Å; C646-C672 HydrophobicContact CB-CB 3.62Å; C646-C672 WeakPolarHBondContact CB-SG 2.99Å; C646-C672 PolarHBondContact N-SG 3.05Å; C646-C672 WeakPolarHBondContact SG-CA 3.21Å; C646-C672 WeakPolarHBondContact SG-CB 3.32Å; C646-C672 CovalentContact SG-SG 2.04Å; C646-C672 PolarHBondContact SG-SG 3.45Å; C646-L682 HydrophobicContact CB-CB 4.26Å; C646-L682 HydrophobicContact CB-CD1 4.21Å
647	Q	89.4	Confident	69.2	Low	68 Å²	68	98 Å²	98	32%	0.318	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	129.5	173.2	-61.2	-171.9	0.9	0	0	110.5	H645 V654 Y655 R656	H645-Q647 PolarHBondContact NE2-NE2 2.9Å; Q647-V654 HydrophobicContact CB-CG1 4.3Å; Q647-Y655 WeakPolarHBondContact CA-O 3.27Å; Q647-R656 HydrophobicContact CG-CG 4.26Å
648	V	85.2	Confident	72.1	Confident	8 Å²	8	95.2 Å²	95.2	5%	0.048	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	126.9	172.6	-168.5	0	0	0	0	108.7	V650 Y655 F657 M663 F670 L682	V648-V650 HydrophobicContact CB-CG2 4.42Å; V648-V650 HydrophobicContact CG1-CG2 3.65Å; V648-Y655 PolarHBondContact N-O 3.01Å; V648-Y655 PolarHBondContact O-N 2.87Å; V648-F657 HydrophobicContact CB-CE2 3.8Å; V648-F657 HydrophobicContact CG2-CD2 3.91Å; V648-F657 HydrophobicContact CG2-CE2 3.44Å; V648-F657 VanDerWaalsContact CG2-CE2 3.44Å; V648-F657 HydrophobicContact CG2-CZ 4.37Å; V648-M663 HydrophobicContact CB-CE 3.88Å; V648-M663 HydrophobicContact CG1-CE 3.84Å; V648-M663 HydrophobicContact CG2-CE 4.04Å; V648-F670 HydrophobicContact CG1-CD1 3.71Å; V648-F670 HydrophobicContact CG1-CE1 3.7Å; V648-F670 HydrophobicContact CG2-CB 4.49Å; V648-F670 HydrophobicContact CG2-CD1 3.92Å; V648-F670 HydrophobicContact CG2-CG 4.49Å; V648-L682 HydrophobicContact CG2-CD1 3.62Å; V648-L682 HydrophobicContact CG2-CD2 3.7Å; V648-L682 HydrophobicContact CG2-CG 4.31Å
649	M	80.8	Confident	74.7	Confident	131 Å²	131	91.2 Å²	91.2	65%	0.645	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.5	123.7	167.8	-172	-179.1	-74.2	0	0	109.4	K653 V654	M649-K653 WeakPolarHBondContact CA-O 3.16Å; M649-V654 HydrophobicContact CB-CG2 4.48Å; M649-V654 HydrophobicContact CE-CG2 3.87Å; M649-V654 HydrophobicContact CG-CG2 4.39Å
650	V	76.8	Confident	77.3	Confident	10 Å²	10	91 Å²	91	6%	0.061	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	115.5	178.4	-174.8	0	0	0	0	108.6	V648 E652 K653 Y655 M663 F665	V648-V650 HydrophobicContact CB-CG2 4.42Å; V648-V650 HydrophobicContact CG1-CG2 3.65Å; V650-E652 PolarHBondContact O-N 2.93Å; V650-K653 PolarHBondContact N-O 2.85Å; V650-K653 PolarHBondContact O-N 3.09Å; V650-Y655 HydrophobicContact CB-CD2 4.13Å; V650-Y655 HydrophobicContact CB-CE2 3.83Å; V650-Y655 HydrophobicContact CG2-CD2 4.23Å; V650-Y655 HydrophobicContact CG2-CE2 4.39Å; V650-M663 HydrophobicContact CG2-CE 3.82Å; V650-M663 HydrophobicContact CG2-SD 4.45Å; V650-F665 HydrophobicContact CG1-CD1 3.72Å; V650-F665 HydrophobicContact CG1-CD2 3.85Å; V650-F665 HydrophobicContact CG1-CE1 3.36Å; V650-F665 HydrophobicContact CG1-CE2 3.51Å; V650-F665 HydrophobicContact CG1-CG 3.94Å; V650-F665 HydrophobicContact CG1-CZ 3.25Å
651	F	78.8	Confident	79.7	Confident	114 Å²	114	89.3 Å²	89.3	50%	0.5	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.5	54.6	-172.1	-59	-49.4	0	0	0	112.2	K653 F665	F651-K653 PolarHBondContact O-N 3.26Å; F651-F665 HydrophobicContact CD2-CE2 4.38Å; F651-F665 AromaticContact CD2-CZ 3.97Å; F651-F665 HydrophobicContact CD2-CZ 3.97Å; F651-F665 HydrophobicContact CE2-CE2 4.03Å; F651-F665 AromaticContact CE2-CZ 3.55Å; F651-F665 HydrophobicContact CE2-CZ 3.55Å; F651-F665 AromaticContact CZ-CZ 3.91Å; F651-F665 HydrophobicContact CZ-CZ 3.91Å
652	E	77.4	Confident	81.5	Confident	178 Å²	178	80.6 Å²	80.6	83%	0.832	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.1	-14.2	179.2	-58.8	171.2	-175.7	0	0	115.6	V650	V650-E652 PolarHBondContact O-N 2.93Å
653	K	64.9	Low	82.6	Confident	93 Å²	93	76.2 Å²	76.2	40%	0.404	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	130.3	171.8	-60.5	179	-171.6	-176	0	109.7	E575 M649 V650 F651 Y655	E575-K653 IonicContact OE1-NZ 3.62Å; E575-K653 PolarHBondContact OE1-NZ 3.29Å; E575-K653 IonicContact OE2-NZ 3.98Å; E575-K653 PolarHBondContact OE2-NZ 3.09Å; M649-K653 WeakPolarHBondContact CA-O 3.16Å; V650-K653 PolarHBondContact N-O 2.85Å; V650-K653 PolarHBondContact O-N 3.09Å; F651-K653 PolarHBondContact O-N 3.26Å; K653-Y655 HydrophobicContact CB-CE2 3.8Å; K653-Y655 WeakPolarHBondContact O-CD2 3.34Å; K653-Y655 WeakPolarHBondContact O-CE2 3.45Å
654	V	82.1	Confident	83	Confident	81 Å²	81	76.3 Å²	76.3	49%	0.491	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	126.2	176.9	-180	0	0	0	0	109.8	Q647 M649	Q647-V654 HydrophobicContact CB-CG1 4.3Å; M649-V654 HydrophobicContact CB-CG2 4.48Å; M649-V654 HydrophobicContact CE-CG2 3.87Å; M649-V654 HydrophobicContact CG-CG2 4.39Å
655	Y	83.3	Confident	82.9	Confident	101 Å²	101	76.9 Å²	76.9	40%	0.396	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	131.5	176.1	-61.5	-101.4	0	0	0	109.1	Q647 V648 V650 K653 F657	Q647-Y655 WeakPolarHBondContact CA-O 3.27Å; V648-Y655 PolarHBondContact N-O 3.01Å; V648-Y655 PolarHBondContact O-N 2.87Å; V650-Y655 HydrophobicContact CB-CD2 4.13Å; V650-Y655 HydrophobicContact CB-CE2 3.83Å; V650-Y655 HydrophobicContact CG2-CD2 4.23Å; V650-Y655 HydrophobicContact CG2-CE2 4.39Å; K653-Y655 HydrophobicContact CB-CE2 3.8Å; K653-Y655 WeakPolarHBondContact O-CD2 3.34Å; K653-Y655 WeakPolarHBondContact O-CE2 3.45Å; Y655-F657 HydrophobicContact CG-CZ 4.3Å; Y655-F657 WeakPolarHBondContact O-CE2 3.37Å
656	R	88.3	Confident	82.7	Confident	138 Å²	138	83.4 Å²	83.4	52%	0.521	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	142.1	174	-66.4	-174	168.5	-159.3	-4.6	110	E642 H645 C646 Q647	E642-R656 IonicContact OE1-CZ 2.7Å; E642-R656 IonicContact OE1-NH1 2.73Å; E642-R656 PolarHBondContact OE1-NH1 3.35Å; E642-R656 IonicContact OE1-NH2 2.89Å; E642-R656 PolarHBondContact OE1-NH2 3.02Å; E642-R656 IonicContact OE2-CZ 3.85Å; E642-R656 IonicContact OE2-NH1 3.06Å; E642-R656 IonicContact OE2-NH2 3.32Å; H645-R656 PolarHBondContact NE2-NE 2.89Å; C646-R656 CarbonylContact O-C 3.56Å; C646-R656 WeakPolarHBondContact O-CA 3.4Å; Q647-R656 HydrophobicContact CG-CG 4.26Å
657	F	84.1	Confident	82.2	Confident	30 Å²	30	84.7 Å²	84.7	13%	0.132	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	125.7	179.8	-53.8	-84.2	0	0	0	110.3	H645 C646 V648 Y655 M663 C672	H645-F657 CarbonylContact C-O 3.26Å; H645-F657 WeakPolarHBondContact CA-O 3.41Å; H645-F657 WeakPolarHBondContact CB-O 3.34Å; C646-F657 HydrophobicContact CB-CB 4.4Å; C646-F657 PolarHBondContact N-O 3.16Å; C646-F657 PolarHBondContact O-N 3.07Å; V648-F657 HydrophobicContact CB-CE2 3.8Å; V648-F657 HydrophobicContact CG2-CD2 3.91Å; V648-F657 HydrophobicContact CG2-CE2 3.44Å; V648-F657 VanDerWaalsContact CG2-CE2 3.44Å; V648-F657 HydrophobicContact CG2-CZ 4.37Å; Y655-F657 HydrophobicContact CG-CZ 4.3Å; Y655-F657 WeakPolarHBondContact O-CE2 3.37Å; F657-M663 HydrophobicContact CE1-CB 3.62Å; F657-M663 HydrophobicContact CE1-CE 4.46Å; F657-M663 HydrophobicContact CE1-SD 4.31Å; F657-M663 HydrophobicContact CE2-CE 4.04Å; F657-M663 HydrophobicContact CZ-CB 3.86Å; F657-M663 HydrophobicContact CZ-CE 3.54Å; F657-M663 HydrophobicContact CZ-CG 4.41Å; F657-M663 HydrophobicContact CZ-SD 3.73Å; F657-C672 HydrophobicContact CB-CB 3.99Å
658	N	86.8	Confident	81.8	Confident	83 Å²	83	83.8 Å²	83.8	44%	0.444	41%	0.405	S	S	.	.			trans	-67	160.4	167.2	-67.7	10	0	0	0	109.8	F661 C672	N658-F661 HydrophobicContact CB-CD2 3.88Å; N658-F661 HydrophobicContact CB-CE2 4.28Å; N658-F661 WeakPolarHBondContact O-CB 3.4Å; N658-F661 PolarHBondContact O-N 2.87Å; N658-C672 WeakPolarHBondContact O-CB 3.36Å
659	P	85.1	Confident	81.8	Confident	28 Å²	28	86 Å²	86	18%	0.182	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	150.8	170	-24.9	34.4	0	0	0	112.3	P644 F661 M674 V680	P644-P659 WeakPolarHBondContact O-CD 3.5Å; P659-F661 WeakPolarHBondContact O-CD2 3.39Å; P659-F661 PolarHBondContact O-N 3.36Å; P659-F661 VanDerWaalsContact O-N 3.08Å; P659-M674 HydrophobicContact CB-CB 3.83Å; P659-M674 HydrophobicContact CG-CB 3.96Å; P659-M674 HydrophobicContact CG-CE 3.82Å; P659-V680 HydrophobicContact CG-CG1 3.92Å
660	D	83.7	Confident	82.2	Confident	140 Å²	140	80.5 Å²	80.5	75%	0.749	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.9	-3.5	-177.3	-54.4	-42	0	0	0	115.8	C672	D660-C672 PolarHBondContact N-O 3.3Å
661	F	84.2	Confident	82.9	Confident	111 Å²	111	82.5 Å²	82.5	49%	0.487	40%	0.399	S	S	.	.			trans	-89.8	152.6	170.6	-72.1	-94.4	0	0	0	112.7	N658 P659 C672	N658-F661 HydrophobicContact CB-CD2 3.88Å; N658-F661 HydrophobicContact CB-CE2 4.28Å; N658-F661 WeakPolarHBondContact O-CB 3.4Å; N658-F661 PolarHBondContact O-N 2.87Å; P659-F661 WeakPolarHBondContact O-CD2 3.39Å; P659-F661 PolarHBondContact O-N 3.36Å; P659-F661 VanDerWaalsContact O-N 3.08Å; F661-C672 PolarHBondContact O-N 2.93Å
662	G	83.5	Confident	83.5	Confident	43 Å²	43	77.1 Å²	77.1	44%	0.443	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	154.7	176.9	0	0	0	0	0	113.8	F670	G662-F670 CarbonylContact C-O 3.51Å; G662-F670 WeakPolarHBondContact CA-O 3.33Å
663	M	84.5	Confident	84.2	Confident	30 Å²	30	71.4 Å²	71.4	15%	0.148	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	133.7	-178.9	160.6	179.1	66	0	0	109.2	V648 V650 F657 F665 F670	V648-M663 HydrophobicContact CB-CE 3.88Å; V648-M663 HydrophobicContact CG1-CE 3.84Å; V648-M663 HydrophobicContact CG2-CE 4.04Å; V650-M663 HydrophobicContact CG2-CE 3.82Å; V650-M663 HydrophobicContact CG2-SD 4.45Å; F657-M663 HydrophobicContact CE1-CB 3.62Å; F657-M663 HydrophobicContact CE1-CE 4.46Å; F657-M663 HydrophobicContact CE1-SD 4.31Å; F657-M663 HydrophobicContact CE2-CE 4.04Å; F657-M663 HydrophobicContact CZ-CB 3.86Å; F657-M663 HydrophobicContact CZ-CE 3.54Å; F657-M663 HydrophobicContact CZ-CG 4.41Å; F657-M663 HydrophobicContact CZ-SD 3.73Å; M663-F665 HydrophobicContact CG-CB 4.33Å; M663-F665 HydrophobicContact SD-CB 4.47Å; M663-F670 HydrophobicContact CB-CB 4.4Å; M663-F670 HydrophobicContact CE-CB 4.17Å; M663-F670 HydrophobicContact CE-CD1 4.36Å; M663-F670 HydrophobicContact CE-CD2 4.01Å; M663-F670 HydrophobicContact CE-CG 3.91Å; M663-F670 PolarHBondContact N-O 3.03Å; M663-F670 PolarHBondContact O-N 2.89Å
664	R	83.5	Confident	85.4	Confident	144 Å²	144	70.5 Å²	70.5	54%	0.543	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	117.8	170	-158.8	-178.2	-170.2	-173.7	5.8	110.4	E668 L669 T687 C690	R664-E668 CarbonylContact C-O 3.56Å; R664-E668 WeakPolarHBondContact CA-O 3.47Å; R664-E668 WeakPolarHBondContact CG-O 3.21Å; R664-L669 HydrophobicContact CB-CD1 4.35Å; R664-T687 PolarHBondContact NH2-OG1 2.85Å; R664-C690 PolarHBondContact NH2-SG 3.22Å
665	F	81.5	Confident	85.6	Confident	59 Å²	59	70.3 Å²	70.3	26%	0.259	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	129.8	-177.6	-178.4	-98.6	0	0	0	110.7	V650 F651 M663 G667 E668 F670	V650-F665 HydrophobicContact CG1-CD1 3.72Å; V650-F665 HydrophobicContact CG1-CD2 3.85Å; V650-F665 HydrophobicContact CG1-CE1 3.36Å; V650-F665 HydrophobicContact CG1-CE2 3.51Å; V650-F665 HydrophobicContact CG1-CG 3.94Å; V650-F665 HydrophobicContact CG1-CZ 3.25Å; F651-F665 HydrophobicContact CD2-CE2 4.38Å; F651-F665 AromaticContact CD2-CZ 3.97Å; F651-F665 HydrophobicContact CD2-CZ 3.97Å; F651-F665 HydrophobicContact CE2-CE2 4.03Å; F651-F665 AromaticContact CE2-CZ 3.55Å; F651-F665 HydrophobicContact CE2-CZ 3.55Å; F651-F665 AromaticContact CZ-CZ 3.91Å; F651-F665 HydrophobicContact CZ-CZ 3.91Å; M663-F665 HydrophobicContact CG-CB 4.33Å; M663-F665 HydrophobicContact SD-CB 4.47Å; F665-G667 PolarHBondContact O-N 2.69Å; F665-E668 PolarHBondContact N-O 2.72Å; F665-E668 PolarHBondContact O-N 3.47Å; F665-E668 VanDerWaalsContact O-O 3.13Å; F665-F670 HydrophobicContact CB-CD2 4.38Å; F665-F670 HydrophobicContact CB-CE2 4.02Å
666	K	82.8	Confident	85.9	Confident	158 Å²	158	72.1 Å²	72.1	69%	0.687	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.3	23.2	-176.5	-70.9	-175.9	178.9	179.5	0	116.3
667	G	80.5	Confident	85.9	Confident	30 Å²	30	69.5 Å²	69.5	31%	0.309	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.7	-7.9	-178.4	0	0	0	0	0	114.6	F665 T687	F665-G667 PolarHBondContact O-N 2.69Å; G667-T687 PolarHBondContact O-N 2.73Å; G667-T687 PolarHBondContact O-OG1 3.42Å
668	E	80.4	Confident	86	Confident	50 Å²	50	69.4 Å²	69.4	23%	0.234	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	136.7	169.1	-70.9	166.7	-179.6	0	0	109.7	R664 F665 F670 Y685 R686	R664-E668 CarbonylContact C-O 3.56Å; R664-E668 WeakPolarHBondContact CA-O 3.47Å; R664-E668 WeakPolarHBondContact CG-O 3.21Å; F665-E668 PolarHBondContact N-O 2.72Å; F665-E668 PolarHBondContact O-N 3.47Å; F665-E668 VanDerWaalsContact O-O 3.13Å; E668-F670 HydrophobicContact CB-CE2 3.85Å; E668-F670 HydrophobicContact CB-CZ 4.43Å; E668-Y685 WeakPolarHBondContact CA-O 3.5Å; E668-R686 HydrophobicContact CG-CB 3.98Å; E668-R686 HydrophobicContact CG-CG 4.02Å; E668-R686 IonicContact OE1-CZ 3.87Å; E668-R686 IonicContact OE1-NE 3.76Å; E668-R686 PolarHBondContact OE1-NE 2.86Å; E668-R686 IonicContact OE1-NH2 2.78Å; E668-R686 PolarHBondContact OE1-NH2 3.16Å
669	L	85.8	Confident	85.9	Confident	53 Å²	53	68.8 Å²	68.8	28%	0.277	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	117.6	173.6	175.4	63.3	0	0	0	108.4	R664 L671 T684 Y685	R664-L669 HydrophobicContact CB-CD1 4.35Å; L669-L671 HydrophobicContact CD2-CD1 3.96Å; L669-L671 HydrophobicContact CD2-CG 4.27Å; L669-L671 HydrophobicContact CG-CD1 4.19Å; L669-L671 HydrophobicContact CG-CG 4.07Å; L669-T684 CarbonylContact O-C 3.55Å; L669-T684 WeakPolarHBondContact O-CA 3.39Å; L669-Y685 PolarHBondContact N-O 3.26Å; L669-Y685 PolarHBondContact O-N 2.72Å
670	F	89.4	Confident	86	Confident	16 Å²	16	67.5 Å²	67.5	7%	0.07	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	130.6	172.6	-62.6	-104.5	0	0	0	107.5	V648 G662 M663 F665 E668 L682 F683 T684 L701	V648-F670 HydrophobicContact CG1-CD1 3.71Å; V648-F670 HydrophobicContact CG1-CE1 3.7Å; V648-F670 HydrophobicContact CG2-CB 4.49Å; V648-F670 HydrophobicContact CG2-CD1 3.92Å; V648-F670 HydrophobicContact CG2-CG 4.49Å; G662-F670 CarbonylContact C-O 3.51Å; G662-F670 WeakPolarHBondContact CA-O 3.33Å; M663-F670 HydrophobicContact CB-CB 4.4Å; M663-F670 HydrophobicContact CE-CB 4.17Å; M663-F670 HydrophobicContact CE-CD1 4.36Å; M663-F670 HydrophobicContact CE-CD2 4.01Å; M663-F670 HydrophobicContact CE-CG 3.91Å; M663-F670 PolarHBondContact N-O 3.03Å; M663-F670 PolarHBondContact O-N 2.89Å; F665-F670 HydrophobicContact CB-CD2 4.38Å; F665-F670 HydrophobicContact CB-CE2 4.02Å; E668-F670 HydrophobicContact CB-CE2 3.85Å; E668-F670 HydrophobicContact CB-CZ 4.43Å; F670-L682 HydrophobicContact CB-CD1 4.36Å; F670-L682 HydrophobicContact CD1-CD1 4.48Å; F670-F683 WeakPolarHBondContact CA-O 3.5Å; F670-T684 HydrophobicContact CD1-CG2 3.42Å; F670-T684 VanDerWaalsContact CD1-CG2 3.42Å; F670-T684 HydrophobicContact CE1-CG2 3.46Å; F670-T684 VanDerWaalsContact CE1-CG2 3.46Å; F670-T684 HydrophobicContact CG-CG2 4.05Å; F670-T684 HydrophobicContact CZ-CG2 4.11Å; F670-L701 HydrophobicContact CE1-CD1 4.03Å
671	L	89.7	Confident	86.3	Confident	52 Å²	52	61.9 Å²	61.9	27%	0.272	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	130.4	179.9	-78.3	160.6	0	0	0	109.5	L669 F683	L669-L671 HydrophobicContact CD2-CD1 3.96Å; L669-L671 HydrophobicContact CD2-CG 4.27Å; L669-L671 HydrophobicContact CG-CD1 4.19Å; L669-L671 HydrophobicContact CG-CG 4.07Å; L671-F683 HydrophobicContact CB-CB 4.45Å; L671-F683 PolarHBondContact N-O 2.83Å; L671-F683 PolarHBondContact O-N 2.73Å
672	C	92.8	Very high	86.6	Confident	1 Å²	1	57 Å²	57	1%	0.007	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	123.7	168.2	-165.9	0	0	0	0	109.4	C646 F657 N658 D660 F661	C646-C672 HydrophobicContact CB-CB 3.62Å; C646-C672 WeakPolarHBondContact CB-SG 2.99Å; C646-C672 PolarHBondContact N-SG 3.05Å; C646-C672 WeakPolarHBondContact SG-CA 3.21Å; C646-C672 WeakPolarHBondContact SG-CB 3.32Å; C646-C672 CovalentContact SG-SG 2.04Å; C646-C672 PolarHBondContact SG-SG 3.45Å; F657-C672 HydrophobicContact CB-CB 3.99Å; N658-C672 WeakPolarHBondContact O-CB 3.36Å; D660-C672 PolarHBondContact N-O 3.3Å; F661-C672 PolarHBondContact O-N 2.93Å
673	V	91	Very high	86.8	Confident	59 Å²	59	57.2 Å²	57.2	36%	0.358	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	130.7	179	-174.9	0	0	0	0	108.5	S681 F683	V673-S681 PolarHBondContact N-O 3.4Å; V673-S681 VanDerWaalsContact N-O 3.09Å; V673-S681 PolarHBondContact O-N 2.7Å; V673-F683 HydrophobicContact CB-CD2 4.2Å; V673-F683 HydrophobicContact CB-CE2 3.99Å; V673-F683 HydrophobicContact CG2-CD2 3.96Å; V673-F683 HydrophobicContact CG2-CE2 4.19Å
674	M	89.7	Confident	86.9	Confident	74 Å²	74	56.8 Å²	56.8	37%	0.365	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	134.3	170	179.7	176.7	-81.2	0	0	109.1	P644 P659 M679 V680	P644-M674 HydrophobicContact CB-CE 3.72Å; P644-M674 HydrophobicContact CG-CE 3.77Å; P659-M674 HydrophobicContact CB-CB 3.83Å; P659-M674 HydrophobicContact CG-CB 3.96Å; P659-M674 HydrophobicContact CG-CE 3.82Å; M674-M679 WeakPolarHBondContact CA-O 3.28Å; M674-V680 HydrophobicContact CB-CG1 4.17Å; M674-V680 HydrophobicContact CE-CG1 4.17Å
675	D	88	Confident	86.7	Confident	76 Å²	76	51.9 Å²	51.9	41%	0.406	30%	0.297	S	S	.	.			trans	-86	177.1	174.2	77.2	6	0	0	0	112.5	A677 G678 M679	D675-A677 PolarHBondContact O-N 2.91Å; D675-A677 VanDerWaalsContact O-N 3.11Å; D675-A677 WeakPolarHBondContact OD1-CA 3.44Å; D675-A677 WeakPolarHBondContact OD1-CB 3.4Å; D675-A677 PolarHBondContact OD1-N 2.02Å; D675-G678 PolarHBondContact O-N 3.4Å; D675-G678 PolarHBondContact OD1-N 3.45Å; D675-G678 VanDerWaalsContact OD1-N 3.09Å; D675-M679 PolarHBondContact N-O 2.81Å; D675-M679 PolarHBondContact OD1-N 2.95Å
676	S	89.5	Confident	86.2	Confident	140 Å²	140	57.5 Å²	57.5	98%	0.979	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-2.7	178.9	55.7	0	0	0	0	114.9
677	A	87.2	Confident	85.1	Confident	82 Å²	82	51.7 Å²	51.7	68%	0.678	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.6	-1.3	172	0	0	0	0	0	112.5	D675 M679	D675-A677 PolarHBondContact O-N 2.91Å; D675-A677 VanDerWaalsContact O-N 3.11Å; D675-A677 WeakPolarHBondContact OD1-CA 3.44Å; D675-A677 WeakPolarHBondContact OD1-CB 3.4Å; D675-A677 PolarHBondContact OD1-N 2.02Å; A677-M679 HydrophobicContact CB-CG 4.4Å
678	G	86.5	Confident	83.6	Confident	29 Å²	29	55.5 Å²	55.5	30%	0.299	32%	0.323	S	S	.	.	S	Bend	trans	88.7	1.8	-177.6	0	0	0	0	0	114.4	D675	D675-G678 PolarHBondContact O-N 3.4Å; D675-G678 PolarHBondContact OD1-N 3.45Å; D675-G678 VanDerWaalsContact OD1-N 3.09Å
679	M	84.5	Confident	82	Confident	69 Å²	69	56.5 Å²	56.5	34%	0.34	33%	0.33	S	S	.	.			trans	-78.8	131	-177.9	-59.8	-70	-67.3	0	0	110.5	M674 D675 A677 V703 A705	M674-M679 WeakPolarHBondContact CA-O 3.28Å; D675-M679 PolarHBondContact N-O 2.81Å; D675-M679 PolarHBondContact OD1-N 2.95Å; A677-M679 HydrophobicContact CB-CG 4.4Å; M679-V703 HydrophobicContact CE-CG1 3.84Å; M679-A705 HydrophobicContact CE-CB 3.83Å; M679-A705 HydrophobicContact SD-CB 4.47Å
680	V	88	Confident	80.1	Confident	2 Å²	2	59 Å²	59	1%	0.012	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	124.5	176	-77.6	0	0	0	0	112.4	P644 P659 M674 V704	P644-V680 HydrophobicContact CB-CB 4.47Å; P644-V680 HydrophobicContact CB-CG1 3.79Å; P644-V680 HydrophobicContact CB-CG2 3.9Å; P659-V680 HydrophobicContact CG-CG1 3.92Å; M674-V680 HydrophobicContact CB-CG1 4.17Å; M674-V680 HydrophobicContact CE-CG1 4.17Å; V680-V704 WeakPolarHBondContact CG2-O 3.38Å
681	S	89.6	Confident	77.8	Confident	21 Å²	21	62.4 Å²	62.4	15%	0.147	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	128.5	177.2	-72.5	0	0	0	0	111.2	V673 F683	V673-S681 PolarHBondContact N-O 3.4Å; V673-S681 VanDerWaalsContact N-O 3.09Å; V673-S681 PolarHBondContact O-N 2.7Å; S681-F683 VanDerWaalsContact CB-CE2 3.48Å; S681-F683 WeakPolarHBondContact O-CD2 3.33Å
682	L	89.8	Confident	75.5	Confident	8 Å²	8	67.1 Å²	67.1	4%	0.042	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	111	174	176.4	69	0	0	0	110.6	C646 V648 F670 V700 L701 K702	C646-L682 HydrophobicContact CB-CB 4.26Å; C646-L682 HydrophobicContact CB-CD1 4.21Å; V648-L682 HydrophobicContact CG2-CD1 3.62Å; V648-L682 HydrophobicContact CG2-CD2 3.7Å; V648-L682 HydrophobicContact CG2-CG 4.31Å; F670-L682 HydrophobicContact CB-CD1 4.36Å; F670-L682 HydrophobicContact CD1-CD1 4.48Å; L682-V700 WeakPolarHBondContact O-CA 3.05Å; L682-L701 HydrophobicContact CD2-CB 3.97Å; L682-L701 HydrophobicContact CD2-CD1 4.37Å; L682-L701 HydrophobicContact CG-CB 4.44Å; L682-L701 PolarHBondContact O-N 3.44Å; L682-K702 PolarHBondContact N-O 2.87Å
683	F	88.4	Confident	73.1	Confident	49 Å²	49	74.9 Å²	74.9	22%	0.215	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	146.6	175	-64.3	-86.2	0	0	0	111.4	F670 L671 V673 S681 W698 V700	F670-F683 WeakPolarHBondContact CA-O 3.5Å; L671-F683 HydrophobicContact CB-CB 4.45Å; L671-F683 PolarHBondContact N-O 2.83Å; L671-F683 PolarHBondContact O-N 2.73Å; V673-F683 HydrophobicContact CB-CD2 4.2Å; V673-F683 HydrophobicContact CB-CE2 3.99Å; V673-F683 HydrophobicContact CG2-CD2 3.96Å; V673-F683 HydrophobicContact CG2-CE2 4.19Å; S681-F683 VanDerWaalsContact CB-CE2 3.48Å; S681-F683 WeakPolarHBondContact O-CD2 3.33Å; F683-W698 HydrophobicContact CB-CE3 4.15Å; F683-W698 HydrophobicContact CB-CZ3 4.32Å; F683-W698 AromaticContact CD1-CE3 3.74Å; F683-W698 HydrophobicContact CD1-CE3 3.74Å; F683-W698 HydrophobicContact CD1-CZ3 4.4Å; F683-W698 HydrophobicContact CG-CE3 4.17Å; F683-W698 HydrophobicContact CG-CZ3 4.44Å; F683-V700 HydrophobicContact CD1-CG2 4.22Å; F683-V700 HydrophobicContact CE1-CG2 3.83Å; F683-V700 HydrophobicContact CZ-CG2 4.45Å
684	T	86	Confident	70.8	Confident	21 Å²	21	75.8 Å²	75.8	13%	0.129	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	142	165.4	57.4	0	0	0	0	112.6	L669 F670 K699 L701	L669-T684 CarbonylContact O-C 3.55Å; L669-T684 WeakPolarHBondContact O-CA 3.39Å; F670-T684 HydrophobicContact CD1-CG2 3.42Å; F670-T684 VanDerWaalsContact CD1-CG2 3.42Å; F670-T684 HydrophobicContact CE1-CG2 3.46Å; F670-T684 VanDerWaalsContact CE1-CG2 3.46Å; F670-T684 HydrophobicContact CG-CG2 4.05Å; F670-T684 HydrophobicContact CZ-CG2 4.11Å; T684-K699 PolarHBondContact N-O 3.04Å; T684-L701 HydrophobicContact CG2-CD1 3.43Å; T684-L701 VanDerWaalsContact CG2-CD1 3.43Å; T684-L701 HydrophobicContact CG2-CG 3.91Å
685	Y	79	Confident	68.6	Low	40 Å²	40	81.4 Å²	81.4	16%	0.157	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	117.5	178.1	-175.5	-108.7	0	0	0	111.7	E668 L669 T687 P694	E668-Y685 WeakPolarHBondContact CA-O 3.5Å; L669-Y685 PolarHBondContact N-O 3.26Å; L669-Y685 PolarHBondContact O-N 2.72Å; Y685-T687 HydrophobicContact CD1-CG2 3.73Å; Y685-T687 HydrophobicContact CE1-CG2 3.56Å; Y685-P694 HydrophobicContact CD1-CB 4.25Å; Y685-P694 HydrophobicContact CD2-CB 4.31Å; Y685-P694 HydrophobicContact CE1-CB 3.66Å; Y685-P694 HydrophobicContact CE2-CB 3.77Å; Y685-P694 VanDerWaalsContact CZ-CB 3.45Å; Y685-P694 WeakPolarHBondContact OH-CA 3.01Å
686	R	72.5	Confident	66.5	Low	178 Å²	178	79.2 Å²	79.2	67%	0.672	46%	0.456	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.7	103.4	-179.3	-173.4	-178.6	-87.8	-156.9	-4	110.4	E668 A688	E668-R686 HydrophobicContact CG-CB 3.98Å; E668-R686 HydrophobicContact CG-CG 4.02Å; E668-R686 IonicContact OE1-CZ 3.87Å; E668-R686 IonicContact OE1-NE 3.76Å; E668-R686 PolarHBondContact OE1-NE 2.86Å; E668-R686 IonicContact OE1-NH2 2.78Å; E668-R686 PolarHBondContact OE1-NH2 3.16Å; R686-A688 PolarHBondContact O-N 3.48Å
687	T	58.6	Low	64.3	Low	35 Å²	35	79.9 Å²	79.9	22%	0.215	45%	0.448	C	S	.	.			trans	-78.5	113.7	178.7	59.2	0	0	0	0	110.9	R664 G667 Y685	R664-T687 PolarHBondContact NH2-OG1 2.85Å; G667-T687 PolarHBondContact O-N 2.73Å; G667-T687 PolarHBondContact O-OG1 3.42Å; Y685-T687 HydrophobicContact CD1-CG2 3.73Å; Y685-T687 HydrophobicContact CE1-CG2 3.56Å
688	A	49.5	Very low	62.2	Low	111 Å²	111	83.3 Å²	83.3	92%	0.917	44%	0.444	S	S	*	.	S	Bend	trans	-79.9	-25.9	169.6	0	0	0	0	0	112.9	R686	R686-A688 PolarHBondContact O-N 3.48Å
689	D	47	Very low	60.4	Low	70 Å²	70	88.7 Å²	88.7	37%	0.374	46%	0.459	S	S	.	.			trans	-148.9	134.5	-172	-176.9	-16.4	0	0	0	108.2	S691 K692	D689-S691 VanDerWaalsContact C-N 3.34Å; D689-S691 VanDerWaalsContact OD1-CB 3.31Å; D689-S691 WeakPolarHBondContact OD1-CB 3.12Å; D689-S691 PolarHBondContact OD1-N 3.37Å; D689-S691 PolarHBondContact OD1-OG 3.03Å; D689-S691 PolarHBondContact OD2-OG 3.42Å; D689-S691 VanDerWaalsContact OD2-OG 3.1Å; D689-K692 IonicContact OD2-NZ 2.63Å; D689-K692 PolarHBondContact OD2-NZ 2.87Å
690	C	44.6	Very low	58.8	Low	105 Å²	105	89.1 Å²	89.1	71%	0.709	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	3.5	-178.6	-63.8	0	0	0	0	113.5	R664	R664-C690 PolarHBondContact NH2-SG 3.22Å
691	S	41.7	Very low	57.2	Low	89 Å²	89	93.9 Å²	93.9	62%	0.622	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	-4.1	-175.8	67.8	0	0	0	0	115.5	D689	D689-S691 VanDerWaalsContact C-N 3.34Å; D689-S691 VanDerWaalsContact OD1-CB 3.31Å; D689-S691 WeakPolarHBondContact OD1-CB 3.12Å; D689-S691 PolarHBondContact OD1-N 3.37Å; D689-S691 PolarHBondContact OD1-OG 3.03Å; D689-S691 PolarHBondContact OD2-OG 3.42Å; D689-S691 VanDerWaalsContact OD2-OG 3.1Å
692	K	41.7	Very low	55.5	Low	151 Å²	151	98.4 Å²	98.4	66%	0.657	51%	0.507	S	S	*	.	S	Bend	trans	-129.1	151.1	-169.3	-69.3	162.9	-172.8	136.7	0	112.2	D689	D689-K692 IonicContact OD2-NZ 2.63Å; D689-K692 PolarHBondContact OD2-NZ 2.87Å
693	E	42.7	Very low	53.2	Low	164 Å²	164	101.5 Å²	101.5	77%	0.766	53%	0.526	S	S	*	.			trans	-62	149.4	172.1	-68.1	179.5	146.2	0	0	111.9	K695	E693-K695 PolarHBondContact O-N 2.89Å
694	P	41.7	Very low	51.4	Low	77 Å²	77	101.3 Å²	101.3	50%	0.5	53%	0.529	S	S	.	.			trans	-70	105.3	-174	28	-35.2	0	0	0	112.7	Y685	Y685-P694 HydrophobicContact CD1-CB 4.25Å; Y685-P694 HydrophobicContact CD2-CB 4.31Å; Y685-P694 HydrophobicContact CE1-CB 3.66Å; Y685-P694 HydrophobicContact CE2-CB 3.77Å; Y685-P694 VanDerWaalsContact CZ-CB 3.45Å; Y685-P694 WeakPolarHBondContact OH-CA 3.01Å
695	K	43.4	Very low	49.4	Very low	193 Å²	193	106.4 Å²	106.4	84%	0.839	57%	0.573	S	S	*	*			trans	-116.2	58.1	172.5	-66.9	-170.5	175.3	-173.7	0	111.8	E693	E693-K695 PolarHBondContact O-N 2.89Å
696	G	45.2	Very low	48	Very low	30 Å²	30	109.7 Å²	109.7	31%	0.309	59%	0.594	S	S	.	*	S	Bend	trans	-132.2	158.6	178.3	0	0	0	0	0	112.2	W698	G696-W698 PolarHBondContact O-N 2.73Å
697	D	43.3	Very low	46.7	Very low	153 Å²	153	106.1 Å²	106.1	82%	0.818	59%	0.59	S	S	*	*			trans	-64.4	126.7	-177.3	-56.5	-49.2	0	0	0	111.7
698	W	42.4	Very low	46	Very low	155 Å²	155	110.1 Å²	110.1	59%	0.587	61%	0.611	S	S	*	*			trans	-77	126.1	175.1	-61	85.3	0	0	0	109.8	F683 G696	F683-W698 HydrophobicContact CB-CE3 4.15Å; F683-W698 HydrophobicContact CB-CZ3 4.32Å; F683-W698 AromaticContact CD1-CE3 3.74Å; F683-W698 HydrophobicContact CD1-CE3 3.74Å; F683-W698 HydrophobicContact CD1-CZ3 4.4Å; F683-W698 HydrophobicContact CG-CE3 4.17Å; F683-W698 HydrophobicContact CG-CZ3 4.44Å; G696-W698 PolarHBondContact O-N 2.73Å
699	K	48.4	Very low	45.8	Very low	142 Å²	142	110 Å²	110	62%	0.617	59%	0.593	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-112.9	116.4	168.1	-69	-171.1	177.9	-175.7	0	109.8	T684 L701	T684-K699 PolarHBondContact N-O 3.04Å; K699-L701 PolarHBondContact O-N 3.46Å
700	V	50.7	Low	45.7	Very low	77 Å²	77	112.5 Å²	112.5	47%	0.467	61%	0.606	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-73.1	115.9	164.2	-179.5	0	0	0	0	106.7	L682 F683 V703	L682-V700 WeakPolarHBondContact O-CA 3.05Å; F683-V700 HydrophobicContact CD1-CG2 4.22Å; F683-V700 HydrophobicContact CE1-CG2 3.83Å; F683-V700 HydrophobicContact CZ-CG2 4.45Å; V700-V703 HydrophobicContact CG1-CG2 3.99Å
701	L	55	Low	45.8	Very low	102 Å²	102	113 Å²	113	53%	0.534	60%	0.6	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-84.1	-35.9	179.7	-76.2	-172.8	0	0	0	112.5	F670 L682 T684 K699	F670-L701 HydrophobicContact CE1-CD1 4.03Å; L682-L701 HydrophobicContact CD2-CB 3.97Å; L682-L701 HydrophobicContact CD2-CD1 4.37Å; L682-L701 HydrophobicContact CG-CB 4.44Å; L682-L701 PolarHBondContact O-N 3.44Å; T684-L701 HydrophobicContact CG2-CD1 3.43Å; T684-L701 VanDerWaalsContact CG2-CD1 3.43Å; T684-L701 HydrophobicContact CG2-CG 3.91Å; K699-L701 PolarHBondContact O-N 3.46Å
702	K	53.4	Low	46.1	Very low	117 Å²	117	114.7 Å²	114.7	51%	0.509	60%	0.598	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-159.7	139.8	178.4	-162	176.3	-179.1	-170.1	0	109.2	L682 V704	L682-K702 PolarHBondContact N-O 2.87Å; K702-V704 HydrophobicContact CD-CG2 3.91Å; K702-V704 HydrophobicContact CG-CG2 4.1Å
703	V	41.7	Very low	46.4	Very low	73 Å²	73	111.9 Å²	111.9	44%	0.442	59%	0.593	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-99.1	135	157.3	-179.5	0	0	0	0	106.4	M679 V700	M679-V703 HydrophobicContact CE-CG1 3.84Å; V700-V703 HydrophobicContact CG1-CG2 3.99Å
704	V	50.6	Low	46.7	Very low	44 Å²	44	107.6 Å²	107.6	27%	0.267	58%	0.579	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-118.1	126.5	167.8	-175.4	0	0	0	0	105.8	V680 K702	V680-V704 WeakPolarHBondContact CG2-O 3.38Å; K702-V704 HydrophobicContact CD-CG2 3.91Å; K702-V704 HydrophobicContact CG-CG2 4.1Å
705	A	45	Very low	47.2	Very low	128 Å²	128	110.4 Å²	110.4	100%	1.058	59%	0.586	S	S	*	*			trans	-91.4	0	173.6	0	0	0	0	0	108.8	M679	M679-A705 HydrophobicContact CE-CB 3.83Å; M679-A705 HydrophobicContact SD-CB 4.47Å

Retrieved 705 of 705 residues in 288.9 ms (Link to these results)

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