A0A093I3P7_STRCA Loading...

Leucine-rich repeat neuronal protein 1

AlphaFold DB , UniProt , Accession A0A093I3P7, Species STRCA (Struthio camelus australis), Gene n/a, Length 716 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	51.5	Low	50.6	Low	251 Å²	251	125.8 Å²	125.8	100%	1.236	70%	0.7	S	S	*	*				0	72.3	0	-75.3	-174.4	-92.5	0	0	110.6
2	A	47.7	Very low	50.6	Low	91 Å²	91	126.2 Å²	126.2	75%	0.752	69%	0.693	S	S	*	*			trans	-155.3	1.7	173.8	0	0	0	0	0	114.4
3	K	48.3	Very low	50.8	Low	189 Å²	189	124.8 Å²	124.8	82%	0.822	68%	0.683	S	S	*	*	S	Bend	trans	-115.1	0.3	178.1	-84.8	-174	173.5	-178.2	0	115
4	I	49.2	Very low	51.2	Low	136 Å²	136	121.3 Å²	121.3	70%	0.697	67%	0.667	S	S	*	*	S	Bend	trans	-104.1	-20.9	180	-64.5	173.1	0	0	0	111.8	L8	I4-L8 HydrophobicContact CG2-CD1 4.44Å
5	S	47.3	Very low	51.1	Low	102 Å²	102	121.1 Å²	121.1	71%	0.713	66%	0.664	S	S	*	*	H	α-helix	trans	-80.8	-15.5	179.2	-152.6	0	0	0	0	114.3
6	F	49.8	Very low	50.9	Low	165 Å²	165	121.6 Å²	121.6	72%	0.724	66%	0.66	S	S	*	*	H	α-helix	trans	-88.6	-26.5	-179.3	-143.3	-93.6	0	0	0	112.6	V10	F6-V10 HydrophobicContact CD1-CG2 4.31Å; F6-V10 HydrophobicContact CE1-CG2 4.4Å; F6-V10 WeakPolarHBondContact O-CG2 3.38Å; F6-V10 PolarHBondContact O-N 2.54Å
7	V	53.4	Low	50.8	Low	98 Å²	98	121.8 Å²	121.8	59%	0.594	66%	0.66	S	S	*	*	H	α-helix	trans	-78.6	-33.1	-179.6	-178.9	0	0	0	0	111.6	C11	V7-C11 PolarHBondContact O-N 3.39Å
8	L	50.2	Low	50.5	Low	115 Å²	115	120.5 Å²	120.5	60%	0.602	65%	0.652	S	S	*	*	H	α-helix	trans	-71.9	-35.8	176.1	-90.9	139	0	0	0	113	I4 C11 Q12	I4-L8 HydrophobicContact CG2-CD1 4.44Å; L8-C11 PolarHBondContact O-N 3.13Å; L8-Q12 PolarHBondContact O-N 2.94Å; L8-Q12 VanDerWaalsContact O-N 3.16Å
9	S	51.8	Low	50.1	Low	71 Å²	71	121.2 Å²	121.2	50%	0.497	65%	0.652	S	S	.	*	H	α-helix	trans	-71.8	-33.5	178.8	-152	0	0	0	0	112.7	L13	S9-L13 PolarHBondContact O-N 2.89Å
10	V	55.6	Low	49.7	Very low	80 Å²	80	122 Å²	122	49%	0.485	66%	0.656	S	S	.	*	H	α-helix	trans	-76	-33.3	176.3	178	0	0	0	0	111.7	F6 V14	F6-V10 HydrophobicContact CD1-CG2 4.31Å; F6-V10 HydrophobicContact CE1-CG2 4.4Å; F6-V10 WeakPolarHBondContact O-CG2 3.38Å; F6-V10 PolarHBondContact O-N 2.54Å; V10-V14 VanDerWaalsContact O-CG2 3.28Å; V10-V14 WeakPolarHBondContact O-CG2 3.26Å; V10-V14 PolarHBondContact O-N 3.47Å
11	C	51.8	Low	49.3	Very low	86 Å²	86	119.8 Å²	119.8	58%	0.581	65%	0.65	S	S	*	*	H	α-helix	trans	-68.6	-34.1	173.1	-86.7	0	0	0	0	113.2	V7 L8 L15	V7-C11 PolarHBondContact O-N 3.39Å; L8-C11 PolarHBondContact O-N 3.13Å; C11-L15 WeakPolarHBondContact O-CB 3.1Å; C11-L15 PolarHBondContact O-N 2.8Å; C11-L15 VanDerWaalsContact O-N 3.09Å
12	Q	50.2	Low	48.7	Very low	130 Å²	130	113.9 Å²	113.9	61%	0.607	62%	0.623	S	S	*	*	H	α-helix	trans	-71.3	-38.6	177.6	-118	171.1	-27.4	0	0	112.5	L8 L15 E16	L8-Q12 PolarHBondContact O-N 2.94Å; L8-Q12 VanDerWaalsContact O-N 3.16Å; Q12-L15 PolarHBondContact O-N 3.17Å; Q12-E16 PolarHBondContact O-N 2.84Å
13	L	53.2	Low	48.1	Very low	108 Å²	108	114.7 Å²	114.7	57%	0.565	62%	0.619	S	S	*	*	H	α-helix	trans	-67.3	-36.8	175.3	-119.1	93.2	0	0	0	112.6	S9 L17	S9-L13 PolarHBondContact O-N 2.89Å; L13-L17 WeakPolarHBondContact O-CB 3.36Å; L13-L17 WeakPolarHBondContact O-CD1 3.38Å; L13-L17 PolarHBondContact O-N 2.56Å
14	V	56.5	Low	47.5	Very low	76 Å²	76	114.4 Å²	114.4	46%	0.461	62%	0.62	S	S	.	*	H	α-helix	trans	-73.5	-31.3	178.3	174.5	0	0	0	0	111.5	V10 L18	V10-V14 VanDerWaalsContact O-CG2 3.28Å; V10-V14 WeakPolarHBondContact O-CG2 3.26Å; V10-V14 PolarHBondContact O-N 3.47Å; V14-L18 HydrophobicContact CG1-CD1 3.84Å; V14-L18 WeakPolarHBondContact O-CB 3.33Å; V14-L18 WeakPolarHBondContact O-CD1 3.4Å; V14-L18 WeakPolarHBondContact O-CG 3.42Å; V14-L18 PolarHBondContact O-N 2.96Å
15	L	50.7	Low	46.8	Very low	118 Å²	118	111.8 Å²	111.8	62%	0.618	61%	0.614	S	S	*	*	H	α-helix	trans	-75.1	-33.8	175.9	-147.4	78.6	0	0	0	112.6	C11 Q12 L18 M19	C11-L15 WeakPolarHBondContact O-CB 3.1Å; C11-L15 PolarHBondContact O-N 2.8Å; C11-L15 VanDerWaalsContact O-N 3.09Å; Q12-L15 PolarHBondContact O-N 3.17Å; L15-L18 PolarHBondContact O-N 3.23Å; L15-M19 WeakPolarHBondContact O-CB 3.16Å; L15-M19 WeakPolarHBondContact O-CG 2.88Å; L15-M19 PolarHBondContact O-N 3.15Å
16	E	46.8	Very low	46.2	Very low	129 Å²	129	112.4 Å²	112.4	60%	0.603	62%	0.619	S	S	*	*	H	α-helix	trans	-72.4	-32.8	171.9	-76.1	-176.6	175	0	0	112.5	Q12 N20	Q12-E16 PolarHBondContact O-N 2.84Å; E16-N20 PolarHBondContact O-N 3.26Å; E16-N20 VanDerWaalsContact O-N 3.15Å
17	L	49.8	Very low	45.5	Very low	126 Å²	126	111.4 Å²	111.4	66%	0.66	62%	0.619	S	S	*	*	H	α-helix	trans	-71.5	-27.6	171	-95.2	140.3	0	0	0	113.3	L13	L13-L17 WeakPolarHBondContact O-CB 3.36Å; L13-L17 WeakPolarHBondContact O-CD1 3.38Å; L13-L17 PolarHBondContact O-N 2.56Å
18	L	45.7	Very low	44.7	Very low	98 Å²	98	115.3 Å²	115.3	51%	0.513	63%	0.631	S	S	.	*	H	α-helix	trans	-85.6	-23.9	174.8	-82.1	159.9	0	0	0	113.9	V14 L15 S21	V14-L18 HydrophobicContact CG1-CD1 3.84Å; V14-L18 WeakPolarHBondContact O-CB 3.33Å; V14-L18 WeakPolarHBondContact O-CD1 3.4Å; V14-L18 WeakPolarHBondContact O-CG 3.42Å; V14-L18 PolarHBondContact O-N 2.96Å; L15-L18 PolarHBondContact O-N 3.23Å; L18-S21 PolarHBondContact O-OG 2.59Å
19	M	42.7	Very low	44.3	Very low	133 Å²	133	113.5 Å²	113.5	66%	0.655	63%	0.628	S	S	*	*	H	α-helix	trans	-86.8	-20.6	174.9	-73.3	-71	-87.6	0	0	113.1	L15 S21 L22	L15-M19 WeakPolarHBondContact O-CB 3.16Å; L15-M19 WeakPolarHBondContact O-CG 2.88Å; L15-M19 PolarHBondContact O-N 3.15Å; M19-S21 VanDerWaalsContact C-N 3.27Å; M19-L22 PolarHBondContact O-N 3.16Å
20	N	41.4	Very low	44.5	Very low	137 Å²	137	117.1 Å²	117.1	73%	0.733	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.3	-3.7	167.4	-82.3	-16.1	0	0	0	113.8	E16	E16-N20 PolarHBondContact O-N 3.26Å; E16-N20 VanDerWaalsContact O-N 3.15Å
21	S	41.1	Very low	45	Very low	76 Å²	76	118.4 Å²	118.4	53%	0.531	64%	0.643	S	S	.	*	T	Hydrogen-bonded Turn	trans	-98.2	8.5	168.6	59.3	0	0	0	0	113.9	L18 M19	L18-S21 PolarHBondContact O-OG 2.59Å; M19-S21 VanDerWaalsContact C-N 3.27Å
22	L	39.9	Very low	46.5	Very low	127 Å²	127	116.6 Å²	116.6	67%	0.665	63%	0.63	S	S	*	*			trans	-131.8	35.3	177.5	-73.1	169.4	0	0	0	112.1	M19	M19-L22 PolarHBondContact O-N 3.16Å
23	T	35.7	Very low	48.3	Very low	109 Å²	109	111.1 Å²	111.1	67%	0.669	61%	0.606	S	S	*	*			trans	-96.1	83.2	142	50.4	0	0	0	0	106.1	S25	T23-S25 PolarHBondContact O-N 3.21Å
24	E	35.8	Very low	49.6	Very low	182 Å²	182	115.5 Å²	115.5	85%	0.85	62%	0.623	S	S	*	*			trans	-56.8	83.8	143.2	-81.3	177.7	156.7	0	0	105.3	S26	E24-S26 PolarHBondContact O-N 2.76Å
25	S	32.5	Very low	51.1	Low	82 Å²	82	117.9 Å²	117.9	57%	0.573	63%	0.633	S	S	*	*			trans	-49.8	123.9	140.1	48.8	0	0	0	0	104.2	T23 I27	T23-S25 PolarHBondContact O-N 3.21Å; S25-I27 PolarHBondContact O-N 3.49Å
26	S	35.4	Very low	53.1	Low	115 Å²	115	112.9 Å²	112.9	80%	0.804	61%	0.608	S	S	*	*			trans	-56.9	81.4	170.2	55.9	0	0	0	0	108.4	E24 Q28	E24-S26 PolarHBondContact O-N 2.76Å; S26-Q28 PolarHBondContact O-N 2.97Å; S26-Q28 VanDerWaalsContact O-N 3.09Å
27	I	35.1	Very low	55.3	Low	144 Å²	144	110.5 Å²	110.5	74%	0.738	60%	0.602	S	S	*	*			trans	-71.6	97	158.8	-60.2	172.2	0	0	0	101.8	S25 S29	S25-I27 PolarHBondContact O-N 3.49Å; I27-S29 PolarHBondContact O-N 2.9Å
28	Q	36.5	Very low	57.3	Low	179 Å²	179	107.1 Å²	107.1	84%	0.836	59%	0.588	S	S	*	*			trans	-46.1	113.8	162.1	-92.6	169.4	-57.1	0	0	105.9	S26 N30	S26-Q28 PolarHBondContact O-N 2.97Å; S26-Q28 VanDerWaalsContact O-N 3.09Å; Q28-N30 PolarHBondContact O-N 3.27Å; Q28-N30 VanDerWaalsContact O-N 3.14Å
29	S	41.1	Very low	59.6	Low	78 Å²	78	106.8 Å²	106.8	55%	0.545	58%	0.584	S	S	.	*			trans	-46.5	123.1	170.4	31	0	0	0	0	107.5	I27 E31	I27-S29 PolarHBondContact O-N 2.9Å; S29-E31 PolarHBondContact O-N 3.19Å; S29-E31 PolarHBondContact OG-OE1 3.34Å
30	N	57.3	Low	61.9	Low	147 Å²	147	105.9 Å²	105.9	79%	0.786	58%	0.58	S	S	*	*			trans	-58.3	82.6	160.5	-82.6	-22.6	0	0	0	107	Q28 C32	Q28-N30 PolarHBondContact O-N 3.27Å; Q28-N30 VanDerWaalsContact O-N 3.14Å; N30-C32 VanDerWaalsContact C-N 3.34Å; N30-C32 PolarHBondContact O-N 3.02Å
31	E	66.8	Low	64.3	Low	107 Å²	107	102.8 Å²	102.8	50%	0.5	56%	0.559	S	S	.	*			trans	-80.2	90.6	178.6	-74.8	-172.8	-175.5	0	0	107.6	S29 N69	S29-E31 PolarHBondContact O-N 3.19Å; S29-E31 PolarHBondContact OG-OE1 3.34Å; E31-N69 PolarHBondContact OE2-ND2 3.31Å; E31-N69 VanDerWaalsContact OE2-ND2 3.07Å
32	C	82.8	Confident	66.5	Low	47 Å²	47	103.2 Å²	103.2	32%	0.318	56%	0.56	S	S	.	*			trans	-58	133.6	158.7	-168.7	0	0	0	0	108.6	N30 Q34 C36 C38	N30-C32 VanDerWaalsContact C-N 3.34Å; N30-C32 PolarHBondContact O-N 3.02Å; C32-Q34 PolarHBondContact O-N 3Å; C32-C36 PolarHBondContact SG-O 3.3Å; C32-C36 VanDerWaalsContact SG-O 3.36Å; C32-C38 WeakPolarHBondContact CA-SG 3.1Å; C32-C38 HydrophobicContact CB-CB 3.63Å; C32-C38 WeakPolarHBondContact CB-SG 3.29Å; C32-C38 WeakPolarHBondContact SG-CB 3.31Å; C32-C38 PolarHBondContact SG-N 3.41Å; C32-C38 CovalentContact SG-SG 2.03Å; C32-C38 PolarHBondContact SG-SG 2.86Å
33	P	87.2	Confident	68.9	Low	15 Å²	15	98.3 Å²	98.3	10%	0.097	53%	0.532	C	S	.	.			trans	-54.4	137.1	174.8	-23.5	31.7	0	0	0	110.9	L35 C36 P67 L70	P33-L35 PolarHBondContact O-N 2.9Å; P33-C36 HydrophobicContact CB-CB 4.07Å; P33-C36 HydrophobicContact CG-CB 4.34Å; P33-C36 PolarHBondContact O-N 2.98Å; P33-P67 HydrophobicContact CB-CB 3.67Å; P33-P67 HydrophobicContact CB-CG 4.09Å; P33-P67 HydrophobicContact CG-CB 3.69Å; P33-P67 HydrophobicContact CG-CG 4.22Å; P33-L70 HydrophobicContact CG-CD2 3.69Å
34	Q	81.4	Confident	71.3	Confident	200 Å²	200	98.9 Å²	98.9	94%	0.935	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-26.3	-169.3	-70.6	-167.9	-31.3	0	0	115.6	C32	C32-Q34 PolarHBondContact O-N 3Å
35	L	86.9	Confident	73.7	Confident	126 Å²	126	90.8 Å²	90.8	66%	0.66	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	-11	-179.9	-62.5	177.2	0	0	0	113.1	P33 L61	P33-L35 PolarHBondContact O-N 2.9Å; L35-L61 HydrophobicContact CB-CD1 3.88Å; L35-L61 HydrophobicContact CB-CD2 4.37Å; L35-L61 WeakPolarHBondContact O-CD1 3.49Å
36	C	92.6	Very high	76.1	Confident	13 Å²	13	87.3 Å²	87.3	9%	0.088	46%	0.464	C	S	.	.	S	Bend	trans	-101.8	162.5	-177	-56.4	0	0	0	0	111.6	C32 P33 V56 D57 C58	C32-C36 PolarHBondContact SG-O 3.3Å; C32-C36 VanDerWaalsContact SG-O 3.36Å; P33-C36 HydrophobicContact CB-CB 4.07Å; P33-C36 HydrophobicContact CG-CB 4.34Å; P33-C36 PolarHBondContact O-N 2.98Å; C36-V56 HydrophobicContact CB-CG1 4.18Å; C36-D57 CarbonylContact C-O 3.41Å; C36-D57 VanDerWaalsContact CA-O 3.28Å; C36-D57 WeakPolarHBondContact CA-O 3.42Å; C36-D57 WeakPolarHBondContact CB-O 3.42Å; C36-C58 HydrophobicContact CB-CB 4.11Å; C36-C58 WeakPolarHBondContact CB-SG 3.32Å; C36-C58 WeakPolarHBondContact SG-CB 3.49Å; C36-C58 CovalentContact SG-SG 2.03Å; C36-C58 PolarHBondContact SG-SG 2.84Å
37	V	93.4	Very high	78.5	Confident	79 Å²	79	86.5 Å²	86.5	48%	0.479	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	123.6	175.3	-178.7	0	0	0	0	108.7	D57	V37-D57 HydrophobicContact CB-CB 4.36Å; V37-D57 PolarHBondContact N-O 2.89Å; V37-D57 PolarHBondContact O-N 2.85Å
38	C	92.9	Very high	81	Confident	55 Å²	55	84.2 Å²	84.2	37%	0.372	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	118.8	178.7	-53.1	0	0	0	0	109.6	C32 T55 V56	C32-C38 WeakPolarHBondContact CA-SG 3.1Å; C32-C38 HydrophobicContact CB-CB 3.63Å; C32-C38 WeakPolarHBondContact CB-SG 3.29Å; C32-C38 WeakPolarHBondContact SG-CB 3.31Å; C32-C38 PolarHBondContact SG-N 3.41Å; C32-C38 CovalentContact SG-SG 2.03Å; C32-C38 PolarHBondContact SG-SG 2.86Å; C38-T55 WeakPolarHBondContact CA-O 3.43Å; C38-V56 HydrophobicContact CB-CG2 4.4Å
39	E	92.6	Very high	83.5	Confident	91 Å²	91	79.4 Å²	79.4	43%	0.425	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	164.7	-179.2	65.6	-174.5	159.2	0	0	111.8	R41 T55	E39-R41 HydrophobicContact CG-CG 3.69Å; E39-R41 IonicContact OE1-CZ 3.18Å; E39-R41 IonicContact OE1-NE 2.63Å; E39-R41 PolarHBondContact OE1-NE 3.1Å; E39-R41 IonicContact OE1-NH2 3.86Å; E39-R41 PolarHBondContact OE1-NH2 3.16Å; E39-T55 PolarHBondContact N-O 2.82Å; E39-T55 PolarHBondContact O-N 2.85Å
40	I	92.1	Very high	85.8	Confident	114 Å²	114	81.3 Å²	81.3	59%	0.585	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.4	113.8	173.4	-61.4	173.3	0	0	0	107.3	E52 A53 T54	I40-E52 HydrophobicContact CG2-CB 3.81Å; I40-E52 HydrophobicContact CG2-CG 4.48Å; I40-A53 CarbonylContact C-O 3.3Å; I40-A53 WeakPolarHBondContact CA-O 3.44Å; I40-T54 HydrophobicContact CG1-CG2 4.25Å
41	R	90.6	Very high	87.4	Confident	72 Å²	72	81.2 Å²	81.2	27%	0.272	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	150.5	-180	-63.7	-168.1	172.7	160	3	111.3	E39 W43 A53 D57	E39-R41 HydrophobicContact CG-CG 3.69Å; E39-R41 IonicContact OE1-CZ 3.18Å; E39-R41 IonicContact OE1-NE 2.63Å; E39-R41 PolarHBondContact OE1-NE 3.1Å; E39-R41 IonicContact OE1-NH2 3.86Å; E39-R41 PolarHBondContact OE1-NH2 3.16Å; R41-W43 PolarHBondContact O-N 3.21Å; R41-A53 PolarHBondContact N-O 2.88Å; R41-A53 PolarHBondContact O-N 3.45Å; R41-D57 IonicContact CZ-OD2 2.82Å; R41-D57 IonicContact NH1-OD2 3.77Å; R41-D57 PolarHBondContact NH1-OD2 3.02Å; R41-D57 IonicContact NH2-OD2 3.54Å; R41-D57 PolarHBondContact NH2-OD2 3.21Å; R41-D57 VanDerWaalsContact NH2-OD2 3.12Å
42	P	88.4	Confident	88.5	Confident	86 Å²	86	82.1 Å²	82.1	56%	0.558	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-52.8	126.7	158.8	-27	37.2	0	0	0	110.5	Y50	P42-Y50 HydrophobicContact CB-CE2 3.85Å; P42-Y50 HydrophobicContact CG-CE2 4.44Å
43	W	89.7	Confident	88.9	Confident	24 Å²	24	80 Å²	80	9%	0.091	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	138.6	178.3	176.9	73.9	0	0	0	109.5	R41 T45 R51 A53 V76 E99	R41-W43 PolarHBondContact O-N 3.21Å; W43-T45 HydrophobicContact CE3-CG2 4.24Å; W43-T45 HydrophobicContact CH2-CG2 3.62Å; W43-T45 HydrophobicContact CZ3-CG2 3.38Å; W43-R51 HydrophobicContact CE3-CB 3.99Å; W43-R51 PolarHBondContact N-O 3.04Å; W43-R51 CarbonylContact O-C 3.56Å; W43-R51 PolarHBondContact O-N 2.72Å; W43-A53 HydrophobicContact CB-CB 3.68Å; W43-A53 HydrophobicContact CG-CB 4.1Å; W43-V76 HydrophobicContact CG-CG2 4.35Å; W43-E99 PolarHBondContact NE1-OE2 2.81Å
44	F	86.8	Confident	89.2	Confident	120 Å²	120	81.4 Å²	81.4	53%	0.526	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	125.9	176.4	-67.8	-91.1	0	0	0	108.9	T49 Y50	F44-T49 WeakPolarHBondContact CA-O 3.44Å; F44-Y50 HydrophobicContact CE1-CD2 4.12Å; F44-Y50 AromaticContact CZ-CD2 3.97Å; F44-Y50 HydrophobicContact CZ-CD2 3.97Å
45	T	84.9	Confident	89.8	Confident	13 Å²	13	72.1 Å²	72.1	8%	0.08	37%	0.368	C	S	.	.			trans	-57.6	159	168.7	54.6	0	0	0	0	110.9	W43 Q47 S48 T49 R51	W43-T45 HydrophobicContact CE3-CG2 4.24Å; W43-T45 HydrophobicContact CH2-CG2 3.62Å; W43-T45 HydrophobicContact CZ3-CG2 3.38Å; T45-Q47 PolarHBondContact O-N 2.91Å; T45-S48 WeakPolarHBondContact O-CA 3.43Å; T45-S48 PolarHBondContact O-N 3.1Å; T45-T49 PolarHBondContact N-O 3.16Å; T45-T49 WeakPolarHBondContact OG1-CA 3.42Å; T45-T49 VanDerWaalsContact OG1-CB 3.23Å; T45-T49 WeakPolarHBondContact OG1-CB 3.4Å; T45-T49 PolarHBondContact OG1-N 2.82Å; T45-T49 PolarHBondContact OG1-O 2.82Å; T45-R51 HydrophobicContact CG2-CG 4.41Å
46	P	84.1	Confident	90.2	Very high	8 Å²	8	66.4 Å²	66.4	5%	0.052	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-19.2	173	-31.7	39.4	0	0	0	115.2	S48 Q146 E147 R171	P46-S48 VanDerWaalsContact C-N 3.3Å; P46-Q146 HydrophobicContact CB-CB 4.17Å; P46-Q146 VanDerWaalsContact CB-OE1 3.27Å; P46-Q146 HydrophobicContact CG-CB 4.11Å; P46-Q146 VanDerWaalsContact CG-OE1 3.28Å; P46-E147 HydrophobicContact CB-CG 3.93Å; P46-E147 WeakPolarHBondContact CB-OE1 3.42Å; P46-E147 HydrophobicContact CG-CG 4.1Å; P46-R171 PolarHBondContact O-NH1 2.89Å
47	Q	84.9	Confident	90.4	Very high	98 Å²	98	67.3 Å²	67.3	46%	0.458	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	18.7	171.8	-60.1	78.4	17.6	0	0	113.4	T45 T49 Q146	T45-Q47 PolarHBondContact O-N 2.91Å; Q47-T49 PolarHBondContact O-N 3.02Å; Q47-Q146 VanDerWaalsContact NE2-CD 3.3Å
48	S	87.3	Confident	90.5	Very high	97 Å²	97	63.5 Å²	63.5	68%	0.678	32%	0.319	S	S	*	.			trans	58.3	26.2	179.3	-52.6	0	0	0	0	114.7	T45 P46	T45-S48 WeakPolarHBondContact O-CA 3.43Å; T45-S48 PolarHBondContact O-N 3.1Å; P46-S48 VanDerWaalsContact C-N 3.3Å
49	T	89.1	Confident	90.6	Very high	77 Å²	77	62.3 Å²	62.3	47%	0.472	31%	0.309	S	S	.	.			trans	-91.1	126.6	174.9	-56.2	0	0	0	0	110.6	F44 T45 Q47	F44-T49 WeakPolarHBondContact CA-O 3.44Å; T45-T49 PolarHBondContact N-O 3.16Å; T45-T49 WeakPolarHBondContact OG1-CA 3.42Å; T45-T49 VanDerWaalsContact OG1-CB 3.23Å; T45-T49 WeakPolarHBondContact OG1-CB 3.4Å; T45-T49 PolarHBondContact OG1-N 2.82Å; T45-T49 PolarHBondContact OG1-O 2.82Å; Q47-T49 PolarHBondContact O-N 3.02Å
50	Y	90.6	Very high	90.7	Very high	118 Å²	118	63.7 Å²	63.7	46%	0.463	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	134.4	177.3	177	-87.2	0	0	0	112.2	P42 F44 E52	P42-Y50 HydrophobicContact CB-CE2 3.85Å; P42-Y50 HydrophobicContact CG-CE2 4.44Å; F44-Y50 HydrophobicContact CE1-CD2 4.12Å; F44-Y50 AromaticContact CZ-CD2 3.97Å; F44-Y50 HydrophobicContact CZ-CD2 3.97Å; Y50-E52 HydrophobicContact CE1-CG 4.25Å; Y50-E52 PolarHBondContact OH-OE1 2.87Å
51	R	89.8	Confident	90.9	Very high	145 Å²	145	60.9 Å²	60.9	55%	0.547	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	167.9	170.7	-66.3	-169.8	178	-172.6	0.6	109.8	W43 T45	W43-R51 HydrophobicContact CE3-CB 3.99Å; W43-R51 PolarHBondContact N-O 3.04Å; W43-R51 CarbonylContact O-C 3.56Å; W43-R51 PolarHBondContact O-N 2.72Å; T45-R51 HydrophobicContact CG2-CG 4.41Å
52	E	90.4	Very high	91.1	Very high	127 Å²	127	67 Å²	67	59%	0.593	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107	133.9	168.1	-71.6	176.4	-179.1	0	0	108	I40 Y50	I40-E52 HydrophobicContact CG2-CB 3.81Å; I40-E52 HydrophobicContact CG2-CG 4.48Å; Y50-E52 HydrophobicContact CE1-CG 4.25Å; Y50-E52 PolarHBondContact OH-OE1 2.87Å
53	A	91.5	Very high	91.3	Very high	1 Å²	1	64.1 Å²	64.1	1%	0.008	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	144.1	-177.9	0	0	0	0	0	112.1	I40 R41 W43 T55 Q75 V76	I40-A53 CarbonylContact C-O 3.3Å; I40-A53 WeakPolarHBondContact CA-O 3.44Å; R41-A53 PolarHBondContact N-O 2.88Å; R41-A53 PolarHBondContact O-N 3.45Å; W43-A53 HydrophobicContact CB-CB 3.68Å; W43-A53 HydrophobicContact CG-CB 4.1Å; A53-T55 PolarHBondContact O-N 2.84Å; A53-T55 PolarHBondContact O-OG1 2.04Å; A53-Q75 HydrophobicContact CB-CB 4.18Å; A53-V76 HydrophobicContact CB-CG2 3.79Å
54	T	93.3	Very high	91.5	Very high	45 Å²	45	67.5 Å²	67.5	28%	0.276	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	103.1	172.2	44	0	0	0	0	109.4	I40 D73 Q75 V76	I40-T54 HydrophobicContact CG1-CG2 4.25Å; T54-D73 PolarHBondContact OG1-O 2.97Å; T54-Q75 PolarHBondContact O-N 2.79Å; T54-Q75 WeakPolarHBondContact OG1-CG 3.42Å; T54-Q75 PolarHBondContact OG1-N 2.92Å; T54-Q75 VanDerWaalsContact OG1-N 3.11Å; T54-V76 PolarHBondContact O-N 3.09Å
55	T	94.7	Very high	91.7	Very high	6 Å²	6	68 Å²	68	4%	0.037	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	131.9	-175.7	-55	0	0	0	0	111	C38 E39 A53 V76 L78	C38-T55 WeakPolarHBondContact CA-O 3.43Å; E39-T55 PolarHBondContact N-O 2.82Å; E39-T55 PolarHBondContact O-N 2.85Å; A53-T55 PolarHBondContact O-N 2.84Å; A53-T55 PolarHBondContact O-OG1 2.04Å; T55-V76 CarbonylContact C-O 3.12Å; T55-V76 WeakPolarHBondContact CA-O 3.43Å; T55-V76 HydrophobicContact CG2-CB 4.07Å; T55-V76 HydrophobicContact CG2-CG1 3.94Å; T55-L78 HydrophobicContact CG2-CD1 3.98Å; T55-L78 HydrophobicContact CG2-CG 4.24Å
56	V	95.1	Very high	92.1	Very high	6 Å²	6	67.8 Å²	67.8	4%	0.036	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	115.8	166.9	-178.2	0	0	0	0	108.5	C36 C38 L70 T74 V76 L77 L78	C36-V56 HydrophobicContact CB-CG1 4.18Å; C38-V56 HydrophobicContact CB-CG2 4.4Å; V56-L70 HydrophobicContact CB-CD2 4.4Å; V56-L70 HydrophobicContact CG1-CD2 3.7Å; V56-L70 HydrophobicContact CG2-CD2 4.39Å; V56-T74 HydrophobicContact CB-CG2 4.15Å; V56-T74 HydrophobicContact CG2-CG2 3.64Å; V56-T74 VanDerWaalsContact CG2-OG1 3.31Å; V56-T74 WeakPolarHBondContact CG2-OG1 3.48Å; V56-V76 PolarHBondContact N-O 2.89Å; V56-L77 HydrophobicContact CB-CD1 3.99Å; V56-L77 HydrophobicContact CG1-CD1 4.1Å; V56-L78 PolarHBondContact O-N 2.82Å
57	D	95.4	Very high	92.3	Very high	31 Å²	31	68.7 Å²	68.7	17%	0.166	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	110.3	-176.7	-169.5	-17.7	0	0	0	110.1	C36 V37 R41 N59 L78	C36-D57 CarbonylContact C-O 3.41Å; C36-D57 VanDerWaalsContact CA-O 3.28Å; C36-D57 WeakPolarHBondContact CA-O 3.42Å; C36-D57 WeakPolarHBondContact CB-O 3.42Å; V37-D57 HydrophobicContact CB-CB 4.36Å; V37-D57 PolarHBondContact N-O 2.89Å; V37-D57 PolarHBondContact O-N 2.85Å; R41-D57 IonicContact CZ-OD2 2.82Å; R41-D57 IonicContact NH1-OD2 3.77Å; R41-D57 PolarHBondContact NH1-OD2 3.02Å; R41-D57 IonicContact NH2-OD2 3.54Å; R41-D57 PolarHBondContact NH2-OD2 3.21Å; R41-D57 VanDerWaalsContact NH2-OD2 3.12Å; D57-N59 WeakPolarHBondContact OD1-CB 3.35Å; D57-N59 PolarHBondContact OD1-N 2.99Å; D57-N59 PolarHBondContact OD1-ND2 2.77Å; D57-L78 HydrophobicContact CB-CD1 4.38Å
58	C	95.4	Very high	92.1	Very high	0 Å²	0	68.8 Å²	68.8	0%	0	35%	0.349	C	S	.	.			trans	-123.9	31.4	-177.9	-64.4	0	0	0	0	111.3	C36 L61 L63 L78 L79 N82	C36-C58 HydrophobicContact CB-CB 4.11Å; C36-C58 WeakPolarHBondContact CB-SG 3.32Å; C36-C58 WeakPolarHBondContact SG-CB 3.49Å; C36-C58 CovalentContact SG-SG 2.03Å; C36-C58 PolarHBondContact SG-SG 2.84Å; C58-L61 HydrophobicContact CB-CD1 4.01Å; C58-L63 HydrophobicContact CB-CD1 3.98Å; C58-L78 CarbonylContact C-O 3.21Å; C58-L78 WeakPolarHBondContact CA-O 3.25Å; C58-L78 WeakPolarHBondContact CB-O 3.44Å; C58-L78 PolarHBondContact N-O 3.49Å; C58-L79 HydrophobicContact CB-CD2 3.44Å; C58-L79 VanDerWaalsContact CB-CD2 3.44Å; C58-L79 HydrophobicContact CB-CG 4.29Å; C58-N82 PolarHBondContact O-ND2 3.23Å
59	N	95.9	Very high	91.9	Very high	29 Å²	29	68 Å²	68	16%	0.155	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74	144.1	-175	-67.5	-30.6	0	0	0	113.2	D57 L61 L78 L79 Q80	D57-N59 WeakPolarHBondContact OD1-CB 3.35Å; D57-N59 PolarHBondContact OD1-N 2.99Å; D57-N59 PolarHBondContact OD1-ND2 2.77Å; N59-L61 VanDerWaalsContact C-N 3.35Å; N59-L61 WeakPolarHBondContact O-CG 3.26Å; N59-L61 PolarHBondContact O-N 3.3Å; N59-L78 WeakPolarHBondContact OD1-CB 3.07Å; N59-L78 PolarHBondContact OD1-O 2.89Å; N59-L79 PolarHBondContact OD1-N 3.37Å; N59-Q80 WeakPolarHBondContact CA-O 3.43Å; N59-Q80 HydrophobicContact CB-CG 3.79Å; N59-Q80 VanDerWaalsContact CG-CG 3.46Å; N59-Q80 VanDerWaalsContact CG-NE2 3.28Å; N59-Q80 PolarHBondContact ND2-NE2 3.31Å; N59-Q80 WeakPolarHBondContact OD1-CB 3.21Å; N59-Q80 VanDerWaalsContact OD1-CG 3.3Å; N59-Q80 WeakPolarHBondContact OD1-CG 3.41Å; N59-Q80 PolarHBondContact OD1-N 2.96Å
60	D	95.5	Very high	91.8	Very high	121 Å²	121	65.5 Å²	65.5	65%	0.647	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	42.8	175.5	-168.9	27.5	0	0	0	114.7	Q80 S81	D60-Q80 PolarHBondContact N-O 3.39Å; D60-S81 WeakPolarHBondContact CA-O 3.5Å
61	L	95.3	Very high	91.6	Very high	55 Å²	55	62 Å²	62	29%	0.288	31%	0.314	S	S	.	.	S	Bend	trans	-107.9	4.4	-178.4	-66.4	179	0	0	0	113	L35 C58 N59 L63 N82	L35-L61 HydrophobicContact CB-CD1 3.88Å; L35-L61 HydrophobicContact CB-CD2 4.37Å; L35-L61 WeakPolarHBondContact O-CD1 3.49Å; C58-L61 HydrophobicContact CB-CD1 4.01Å; N59-L61 VanDerWaalsContact C-N 3.35Å; N59-L61 WeakPolarHBondContact O-CG 3.26Å; N59-L61 PolarHBondContact O-N 3.3Å; L61-L63 HydrophobicContact CB-CD1 4.04Å; L61-L63 HydrophobicContact CB-CD2 4.13Å; L61-L63 HydrophobicContact CB-CG 3.68Å; L61-L63 HydrophobicContact CD1-CD1 4.21Å; L61-L63 PolarHBondContact O-N 3.46Å; L61-N82 PolarHBondContact N-OD1 3.4Å; L61-N82 VanDerWaalsContact N-OD1 3.14Å
62	R	94.7	Very high	91.5	Very high	199 Å²	199	57.6 Å²	57.6	75%	0.751	31%	0.305	S	S	*	.			trans	53.8	32	-175.3	-54.7	-179.9	-179.5	-178	-0.2	112.9	N82	R62-N82 PolarHBondContact N-OD1 3.41Å
63	L	93.6	Very high	91.4	Very high	26 Å²	26	56 Å²	56	14%	0.136	30%	0.3	C	S	.	.			trans	-65.5	140.1	-179.5	-61.7	172.3	0	0	0	110.1	C58 L61 P67 L79 N82 N83 I84	C58-L63 HydrophobicContact CB-CD1 3.98Å; L61-L63 HydrophobicContact CB-CD1 4.04Å; L61-L63 HydrophobicContact CB-CD2 4.13Å; L61-L63 HydrophobicContact CB-CG 3.68Å; L61-L63 HydrophobicContact CD1-CD1 4.21Å; L61-L63 PolarHBondContact O-N 3.46Å; L63-P67 HydrophobicContact CD1-CG 4.37Å; L63-L79 HydrophobicContact CD1-CD2 3.82Å; L63-N82 HydrophobicContact CB-CB 4.25Å; L63-N82 WeakPolarHBondContact CB-OD1 3.48Å; L63-N82 PolarHBondContact N-OD1 2.83Å; L63-N83 CarbonylContact O-C 3.35Å; L63-N83 VanDerWaalsContact O-CA 3.28Å; L63-N83 WeakPolarHBondContact O-CA 3.34Å; L63-N83 PolarHBondContact O-N 3.4Å; L63-I84 HydrophobicContact CB-CG1 4.42Å; L63-I84 WeakPolarHBondContact O-CG1 3.46Å; L63-I84 PolarHBondContact O-N 3.48Å
64	T	93.4	Very high	91.4	Very high	95 Å²	95	56.1 Å²	56.1	58%	0.583	30%	0.301	S	S	*	.	S	Bend	trans	-103.2	-12.9	171.7	52.8	0	0	0	0	112.4	N83	T64-N83 HydrophobicContact CG2-CB 4.25Å
65	K	91.8	Very high	91.4	Very high	132 Å²	132	57.2 Å²	57.2	57%	0.574	30%	0.303	S	S	*	.	S	Bend	trans	-147.7	159.9	178.8	-63.1	-171.6	178.2	-171.2	0	109.8
66	I	91.4	Very high	91.5	Very high	8 Å²	8	57.1 Å²	57.1	4%	0.041	30%	0.302	C	S	.	.			trans	-69.6	138.1	173.5	-52.7	179.5	0	0	0	109.2	L70 L79 I84 T87 E90 L91 F102	I66-L70 HydrophobicContact CG2-CD1 3.45Å; I66-L70 VanDerWaalsContact CG2-CD1 3.45Å; I66-L79 HydrophobicContact CD1-CD1 4.41Å; I66-L79 HydrophobicContact CG1-CD1 4.09Å; I66-L79 HydrophobicContact CG2-CD1 4.35Å; I66-I84 HydrophobicContact CG1-CD1 4.49Å; I66-T87 HydrophobicContact CD1-CG2 3.8Å; I66-T87 HydrophobicContact CG1-CG2 4.35Å; I66-E90 HydrophobicContact CB-CB 3.99Å; I66-E90 HydrophobicContact CB-CG 4.29Å; I66-E90 HydrophobicContact CD1-CB 4.26Å; I66-E90 HydrophobicContact CG2-CB 4.23Å; I66-L91 HydrophobicContact CD1-CD1 4.21Å; I66-L91 HydrophobicContact CD1-CD2 3.63Å; I66-L91 HydrophobicContact CD1-CG 3.64Å; I66-F102 HydrophobicContact CD1-CE1 4.34Å; I66-F102 HydrophobicContact CD1-CZ 3.77Å; I66-F102 HydrophobicContact CG1-CE1 4.46Å; I66-F102 HydrophobicContact CG1-CZ 4.37Å
67	P	88.8	Confident	91.5	Very high	27 Å²	27	56.8 Å²	56.8	18%	0.175	30%	0.301	C	S	.	.			trans	-60.3	140	173.7	-22.1	33.2	0	0	0	112.5	P33 L63 N69	P33-P67 HydrophobicContact CB-CB 3.67Å; P33-P67 HydrophobicContact CB-CG 4.09Å; P33-P67 HydrophobicContact CG-CB 3.69Å; P33-P67 HydrophobicContact CG-CG 4.22Å; L63-P67 HydrophobicContact CD1-CG 4.37Å; P67-N69 PolarHBondContact O-N 2.75Å
68	S	81.4	Confident	91.6	Very high	100 Å²	100	56.4 Å²	56.4	70%	0.699	30%	0.298	S	S	*	.	S	Bend	trans	-77.4	-15.1	-173.9	55.6	0	0	0	0	115.4
69	N	82.4	Confident	91.6	Very high	80 Å²	80	56.4 Å²	56.4	43%	0.428	30%	0.298	S	S	.	.			trans	-104.8	51.7	-174.1	-64.6	16.9	0	0	0	110.8	E31 P67	E31-N69 PolarHBondContact OE2-ND2 3.31Å; E31-N69 VanDerWaalsContact OE2-ND2 3.07Å; P67-N69 PolarHBondContact O-N 2.75Å
70	L	87.3	Confident	91.7	Very high	25 Å²	25	58.3 Å²	58.3	13%	0.131	31%	0.306	C	S	.	.			trans	-89.1	140.9	175	-67.2	174.7	0	0	0	110.5	P33 V56 I66 L77 L94	P33-L70 HydrophobicContact CG-CD2 3.69Å; V56-L70 HydrophobicContact CB-CD2 4.4Å; V56-L70 HydrophobicContact CG1-CD2 3.7Å; V56-L70 HydrophobicContact CG2-CD2 4.39Å; I66-L70 HydrophobicContact CG2-CD1 3.45Å; I66-L70 VanDerWaalsContact CG2-CD1 3.45Å; L70-L77 HydrophobicContact CD1-CD1 4.18Å; L70-L77 HydrophobicContact CD1-CD2 4.11Å; L70-L77 HydrophobicContact CD2-CD1 4.4Å; L70-L94 HydrophobicContact CB-CD2 4Å; L70-L94 HydrophobicContact CD1-CD1 3.92Å
71	S	86.8	Confident	91.7	Very high	45 Å²	45	54.3 Å²	54.3	32%	0.315	29%	0.288	S	S	.	.			trans	-71	139.4	175.4	-179.7	0	0	0	0	110.6	D73 T74 L94	S71-D73 PolarHBondContact O-N 2.84Å; S71-D73 PolarHBondContact OG-N 2.87Å; S71-T74 WeakPolarHBondContact O-CB 3.08Å; S71-T74 PolarHBondContact O-N 3.39Å; S71-T74 VanDerWaalsContact O-N 3.15Å; S71-T74 PolarHBondContact O-OG1 3.33Å; S71-T74 VanDerWaalsContact O-OG1 3.05Å; S71-L94 VanDerWaalsContact O-CD2 3.26Å; S71-L94 WeakPolarHBondContact O-CD2 3.21Å
72	S	86.2	Confident	91.8	Very high	52 Å²	52	51.9 Å²	51.9	36%	0.364	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-18.6	173.5	54.8	0	0	0	0	113.3	T74	S72-T74 VanDerWaalsContact C-N 3.29Å
73	D	88.9	Confident	91.9	Very high	93 Å²	93	47.2 Å²	47.2	50%	0.497	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-0.8	178.5	-65.5	-23.6	0	0	0	112.9	T54 S71 Q75	T54-D73 PolarHBondContact OG1-O 2.97Å; S71-D73 PolarHBondContact O-N 2.84Å; S71-D73 PolarHBondContact OG-N 2.87Å; D73-Q75 PolarHBondContact O-N 2.8Å
74	T	92.4	Very high	92	Very high	4 Å²	4	46 Å²	46	3%	0.025	26%	0.259	C	S	.	.			trans	-62	124	177.1	-65.7	0	0	0	0	111.1	V56 S71 S72 V76 L77 L97	V56-T74 HydrophobicContact CB-CG2 4.15Å; V56-T74 HydrophobicContact CG2-CG2 3.64Å; V56-T74 VanDerWaalsContact CG2-OG1 3.31Å; V56-T74 WeakPolarHBondContact CG2-OG1 3.48Å; S71-T74 WeakPolarHBondContact O-CB 3.08Å; S71-T74 PolarHBondContact O-N 3.39Å; S71-T74 VanDerWaalsContact O-N 3.15Å; S71-T74 PolarHBondContact O-OG1 3.33Å; S71-T74 VanDerWaalsContact O-OG1 3.05Å; S72-T74 VanDerWaalsContact C-N 3.29Å; T74-V76 WeakPolarHBondContact CG2-O 3.08Å; T74-L77 HydrophobicContact CG2-CB 4.37Å; T74-L97 HydrophobicContact CG2-CD1 4.12Å
75	Q	93.8	Very high	92.1	Very high	67 Å²	67	43.3 Å²	43.3	31%	0.313	25%	0.246	S	C	.	.			trans	-101.4	-35.7	178	-72.7	175.1	-27.7	0	0	112.2	A53 T54 D73 L97 T98 E99	A53-Q75 HydrophobicContact CB-CB 4.18Å; T54-Q75 PolarHBondContact O-N 2.79Å; T54-Q75 WeakPolarHBondContact OG1-CG 3.42Å; T54-Q75 PolarHBondContact OG1-N 2.92Å; T54-Q75 VanDerWaalsContact OG1-N 3.11Å; D73-Q75 PolarHBondContact O-N 2.8Å; Q75-L97 WeakPolarHBondContact O-CD1 3.3Å; Q75-T98 PolarHBondContact O-N 3.17Å; Q75-T98 PolarHBondContact O-OG1 2.85Å; Q75-E99 PolarHBondContact O-N 2.84Å; Q75-E99 VanDerWaalsContact O-N 3.12Å
76	V	95.7	Very high	92.3	Very high	4 Å²	4	42.6 Å²	42.6	2%	0.024	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	124.8	179	-179.1	0	0	0	0	108.9	W43 A53 T54 T55 V56 T74 L78 E99	W43-V76 HydrophobicContact CG-CG2 4.35Å; A53-V76 HydrophobicContact CB-CG2 3.79Å; T54-V76 PolarHBondContact O-N 3.09Å; T55-V76 CarbonylContact C-O 3.12Å; T55-V76 WeakPolarHBondContact CA-O 3.43Å; T55-V76 HydrophobicContact CG2-CB 4.07Å; T55-V76 HydrophobicContact CG2-CG1 3.94Å; V56-V76 PolarHBondContact N-O 2.89Å; T74-V76 WeakPolarHBondContact CG2-O 3.08Å; V76-L78 HydrophobicContact CG1-CD2 3.72Å; V76-L78 HydrophobicContact CG1-CG 4.09Å; V76-E99 WeakPolarHBondContact CA-O 3.39Å; V76-E99 HydrophobicContact CG1-CB 4.16Å; V76-E99 HydrophobicContact CG1-CG 4.37Å; V76-E99 HydrophobicContact CG2-CB 4.15Å
77	L	95.6	Very high	92.2	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	115.2	177.3	179.7	60.8	0	0	0	109.8	V56 L70 T74 L79 L91 L94 L97 E99 L100 D101	V56-L77 HydrophobicContact CB-CD1 3.99Å; V56-L77 HydrophobicContact CG1-CD1 4.1Å; L70-L77 HydrophobicContact CD1-CD1 4.18Å; L70-L77 HydrophobicContact CD1-CD2 4.11Å; L70-L77 HydrophobicContact CD2-CD1 4.4Å; T74-L77 HydrophobicContact CG2-CB 4.37Å; L77-L79 HydrophobicContact CD1-CD1 4.1Å; L77-L79 HydrophobicContact CD1-CG 4.24Å; L77-L79 HydrophobicContact CD2-CD1 3.73Å; L77-L79 HydrophobicContact CG-CD1 3.73Å; L77-L79 HydrophobicContact CG-CG 4.16Å; L77-L91 HydrophobicContact CD2-CD2 4.11Å; L77-L94 HydrophobicContact CD2-CD1 3.85Å; L77-L97 HydrophobicContact CB-CD1 3.7Å; L77-E99 PolarHBondContact N-O 3.27Å; L77-L100 HydrophobicContact CB-CD1 4.05Å; L77-L100 HydrophobicContact CD2-CD1 3.93Å; L77-L100 HydrophobicContact CG-CD1 4.1Å; L77-D101 PolarHBondContact O-N 3Å
78	L	96.8	Very high	91.7	Very high	22 Å²	22	44.7 Å²	44.7	12%	0.115	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	117.1	-179.4	-48.1	175.9	0	0	0	110	T55 V56 D57 C58 N59 V76 D101	T55-L78 HydrophobicContact CG2-CD1 3.98Å; T55-L78 HydrophobicContact CG2-CG 4.24Å; V56-L78 PolarHBondContact O-N 2.82Å; D57-L78 HydrophobicContact CB-CD1 4.38Å; C58-L78 CarbonylContact C-O 3.21Å; C58-L78 WeakPolarHBondContact CA-O 3.25Å; C58-L78 WeakPolarHBondContact CB-O 3.44Å; C58-L78 PolarHBondContact N-O 3.49Å; N59-L78 WeakPolarHBondContact OD1-CB 3.07Å; N59-L78 PolarHBondContact OD1-O 2.89Å; V76-L78 HydrophobicContact CG1-CD2 3.72Å; V76-L78 HydrophobicContact CG1-CG 4.09Å; L78-D101 HydrophobicContact CD2-CB 3.87Å
79	L	96.4	Very high	91.4	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.247	C	C	.	.			trans	-130.2	28	-178.2	-74	161.5	0	0	0	111.5	C58 N59 L63 I66 L77 N82 I84 D101 F102 N105	C58-L79 HydrophobicContact CB-CD2 3.44Å; C58-L79 VanDerWaalsContact CB-CD2 3.44Å; C58-L79 HydrophobicContact CB-CG 4.29Å; N59-L79 PolarHBondContact OD1-N 3.37Å; L63-L79 HydrophobicContact CD1-CD2 3.82Å; I66-L79 HydrophobicContact CD1-CD1 4.41Å; I66-L79 HydrophobicContact CG1-CD1 4.09Å; I66-L79 HydrophobicContact CG2-CD1 4.35Å; L77-L79 HydrophobicContact CD1-CD1 4.1Å; L77-L79 HydrophobicContact CD1-CG 4.24Å; L77-L79 HydrophobicContact CD2-CD1 3.73Å; L77-L79 HydrophobicContact CG-CD1 3.73Å; L77-L79 HydrophobicContact CG-CG 4.16Å; L79-N82 PolarHBondContact O-ND2 3.36Å; L79-I84 HydrophobicContact CB-CD1 4.37Å; L79-I84 HydrophobicContact CD1-CD1 4.45Å; L79-I84 HydrophobicContact CD2-CD1 4.2Å; L79-D101 CarbonylContact C-O 3.15Å; L79-D101 WeakPolarHBondContact CA-O 3.35Å; L79-D101 WeakPolarHBondContact CB-O 3.33Å; L79-D101 PolarHBondContact N-O 2.9Å; L79-F102 HydrophobicContact CB-CD1 3.88Å; L79-F102 HydrophobicContact CB-CE1 3.97Å; L79-F102 HydrophobicContact CD1-CD1 4.19Å; L79-F102 HydrophobicContact CD1-CE1 3.42Å; L79-F102 VanDerWaalsContact CD1-CE1 3.42Å; L79-F102 HydrophobicContact CD1-CZ 3.98Å; L79-F102 HydrophobicContact CG-CE1 4.32Å; L79-N105 PolarHBondContact O-ND2 3.22Å
80	Q	96.8	Very high	91.4	Very high	70 Å²	70	42.9 Å²	42.9	33%	0.327	24%	0.237	S	C	.	.			trans	-61.4	150.9	-179	95.2	-168.8	-53.4	0	0	112.2	N59 D60 N82 S103	N59-Q80 WeakPolarHBondContact CA-O 3.43Å; N59-Q80 HydrophobicContact CB-CG 3.79Å; N59-Q80 VanDerWaalsContact CG-CG 3.46Å; N59-Q80 VanDerWaalsContact CG-NE2 3.28Å; N59-Q80 PolarHBondContact ND2-NE2 3.31Å; N59-Q80 WeakPolarHBondContact OD1-CB 3.21Å; N59-Q80 VanDerWaalsContact OD1-CG 3.3Å; N59-Q80 WeakPolarHBondContact OD1-CG 3.41Å; N59-Q80 PolarHBondContact OD1-N 2.96Å; D60-Q80 PolarHBondContact N-O 3.39Å; Q80-N82 PolarHBondContact O-N 3.32Å; Q80-N82 PolarHBondContact O-ND2 3.42Å; Q80-N82 VanDerWaalsContact O-ND2 3.16Å; Q80-S103 WeakPolarHBondContact CA-O 3.34Å; Q80-S103 WeakPolarHBondContact CB-OG 3.36Å
81	S	97.3	Very high	91.3	Very high	37 Å²	37	41.8 Å²	41.8	26%	0.259	23%	0.231	S	C	.	.	S	Bend	trans	56.3	50.3	173.9	-48.5	0	0	0	0	113.1	D60 S103 Q104	D60-S81 WeakPolarHBondContact CA-O 3.5Å; S81-S103 PolarHBondContact N-O 2.62Å; S81-S103 VanDerWaalsContact N-O 3.13Å; S81-Q104 VanDerWaalsContact CA-O 3.3Å; S81-Q104 WeakPolarHBondContact CA-O 3.47Å; S81-Q104 PolarHBondContact N-O 3.21Å; S81-Q104 PolarHBondContact OG-OE1 2.99Å
82	N	97.1	Very high	91	Very high	4 Å²	4	44.3 Å²	44.3	2%	0.021	24%	0.238	C	C	.	.			trans	-122.3	-177.2	177	-79.1	-67.1	0	0	0	110.8	C58 L61 R62 L63 L79 Q80 I84 Q104 N105	C58-N82 PolarHBondContact O-ND2 3.23Å; L61-N82 PolarHBondContact N-OD1 3.4Å; L61-N82 VanDerWaalsContact N-OD1 3.14Å; R62-N82 PolarHBondContact N-OD1 3.41Å; L63-N82 HydrophobicContact CB-CB 4.25Å; L63-N82 WeakPolarHBondContact CB-OD1 3.48Å; L63-N82 PolarHBondContact N-OD1 2.83Å; L79-N82 PolarHBondContact O-ND2 3.36Å; Q80-N82 PolarHBondContact O-N 3.32Å; Q80-N82 PolarHBondContact O-ND2 3.42Å; Q80-N82 VanDerWaalsContact O-ND2 3.16Å; N82-I84 HydrophobicContact CB-CD1 4.37Å; N82-I84 HydrophobicContact CB-CG1 4.16Å; N82-Q104 PolarHBondContact N-O 3.07Å; N82-N105 WeakPolarHBondContact CA-OD1 3.31Å; N82-N105 WeakPolarHBondContact CB-OD1 3.48Å; N82-N105 WeakPolarHBondContact O-CA 3.39Å; N82-N105 PolarHBondContact O-OD1 2.89Å
83	N	96.8	Very high	90.7	Very high	101 Å²	101	48.2 Å²	48.2	54%	0.54	25%	0.25	S	S	.	.			trans	-111.3	31.6	-178.9	-67.6	-13	0	0	0	111.6	L63 T64 A85	L63-N83 CarbonylContact O-C 3.35Å; L63-N83 VanDerWaalsContact O-CA 3.28Å; L63-N83 WeakPolarHBondContact O-CA 3.34Å; L63-N83 PolarHBondContact O-N 3.4Å; T64-N83 HydrophobicContact CG2-CB 4.25Å; N83-A85 PolarHBondContact O-N 3.28Å
84	I	95.9	Very high	90.7	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.227	C	C	.	.			trans	-77.4	123.6	-178.2	-53	173.9	0	0	0	108.2	L63 I66 L79 N82 T87 F102 N105 N106 F107	L63-I84 HydrophobicContact CB-CG1 4.42Å; L63-I84 WeakPolarHBondContact O-CG1 3.46Å; L63-I84 PolarHBondContact O-N 3.48Å; I66-I84 HydrophobicContact CG1-CD1 4.49Å; L79-I84 HydrophobicContact CB-CD1 4.37Å; L79-I84 HydrophobicContact CD1-CD1 4.45Å; L79-I84 HydrophobicContact CD2-CD1 4.2Å; N82-I84 HydrophobicContact CB-CD1 4.37Å; N82-I84 HydrophobicContact CB-CG1 4.16Å; I84-T87 HydrophobicContact CG2-CG2 4.43Å; I84-F102 HydrophobicContact CD1-CE1 4.06Å; I84-N105 WeakPolarHBondContact CB-OD1 3.48Å; I84-N105 WeakPolarHBondContact CG1-OD1 3.38Å; I84-N105 PolarHBondContact N-OD1 3.26Å; I84-N106 CarbonylContact O-C 3.09Å; I84-N106 WeakPolarHBondContact O-CA 3.32Å; I84-N106 PolarHBondContact O-N 3.2Å; I84-F107 HydrophobicContact CB-CE2 4.36Å; I84-F107 HydrophobicContact CB-CZ 4.12Å; I84-F107 HydrophobicContact CG2-CE1 4.04Å; I84-F107 HydrophobicContact CG2-CE2 4.26Å; I84-F107 HydrophobicContact CG2-CZ 3.54Å
85	A	95.4	Very high	90.4	Very high	39 Å²	39	48.9 Å²	48.9	32%	0.322	25%	0.249	S	C	.	.			trans	-107.3	-22.7	178	0	0	0	0	0	112.9	N83 N106 F107	N83-A85 PolarHBondContact O-N 3.28Å; A85-N106 WeakPolarHBondContact CA-O 3.26Å; A85-N106 HydrophobicContact CB-CB 4.31Å; A85-F107 WeakPolarHBondContact O-CD1 3.29Å
86	K	94.4	Very high	90.2	Very high	117 Å²	117	48.5 Å²	48.5	51%	0.509	25%	0.249	S	C	.	.			trans	-158.1	138.6	-178.5	-179.5	166.1	-169.7	142.3	0	111	D112	K86-D112 CarbonylContact C-O 3.15Å; K86-D112 VanDerWaalsContact CA-O 3.29Å; K86-D112 WeakPolarHBondContact CA-O 3.41Å; K86-D112 HydrophobicContact CB-CB 4.09Å; K86-D112 HydrophobicContact CD-CB 4.4Å; K86-D112 WeakPolarHBondContact CD-OD1 3.47Å; K86-D112 VanDerWaalsContact CE-OD1 3.32Å; K86-D112 WeakPolarHBondContact CE-OD1 3.31Å; K86-D112 HydrophobicContact CG-CB 4Å; K86-D112 IonicContact NZ-OD1 2.77Å; K86-D112 PolarHBondContact NZ-OD1 3.23Å
87	T	90.8	Very high	90.1	Very high	6 Å²	6	48.4 Å²	48.4	4%	0.037	25%	0.248	C	C	.	.			trans	-100.5	154.5	168	72.8	0	0	0	0	109.1	I66 I84 L91 F102 F107 D112 V113 G114	I66-T87 HydrophobicContact CD1-CG2 3.8Å; I66-T87 HydrophobicContact CG1-CG2 4.35Å; I84-T87 HydrophobicContact CG2-CG2 4.43Å; T87-L91 HydrophobicContact CG2-CD1 4.18Å; T87-F102 HydrophobicContact CG2-CE1 4.49Å; T87-F102 HydrophobicContact CG2-CE2 4.33Å; T87-F102 HydrophobicContact CG2-CZ 3.85Å; T87-F107 HydrophobicContact CG2-CE1 3.96Å; T87-F107 HydrophobicContact CG2-CZ 3.84Å; T87-D112 PolarHBondContact N-O 3.17Å; T87-D112 PolarHBondContact OG1-O 3.23Å; T87-V113 WeakPolarHBondContact CG2-O 3.24Å; T87-V113 PolarHBondContact OG1-O 2.74Å; T87-G114 WeakPolarHBondContact OG1-CA 3.42Å; T87-G114 PolarHBondContact OG1-N 3.28Å
88	T	77.4	Confident	90.1	Very high	72 Å²	72	49.5 Å²	49.5	44%	0.442	26%	0.255	S	S	.	.			trans	-109.7	-104.6	175.8	58.6	0	0	0	0	109.4	E90	T88-E90 WeakPolarHBondContact CA-OE2 3.24Å; T88-E90 PolarHBondContact N-OE2 3.36Å; T88-E90 PolarHBondContact OG1-OE1 3.36Å; T88-E90 PolarHBondContact OG1-OE2 3.31Å
89	D	76.3	Confident	90	Very high	98 Å²	98	50.1 Å²	50.1	52%	0.524	26%	0.257	S	S	.	.	S	Bend	trans	-110.3	2.9	-176.8	-57.7	-47.9	0	0	0	112.2	L91 Q92	D89-L91 PolarHBondContact O-N 3.45Å; D89-Q92 WeakPolarHBondContact O-CB 3.33Å; D89-Q92 PolarHBondContact O-N 2.82Å; D89-Q92 VanDerWaalsContact O-N 3.12Å; D89-Q92 PolarHBondContact OD1-NE2 3.06Å
90	E	81.6	Confident	90.1	Very high	45 Å²	45	50.1 Å²	50.1	21%	0.21	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-62.4	-31.8	-175.6	-60.6	91	166.6	0	0	112.6	I66 T88	I66-E90 HydrophobicContact CB-CB 3.99Å; I66-E90 HydrophobicContact CB-CG 4.29Å; I66-E90 HydrophobicContact CD1-CB 4.26Å; I66-E90 HydrophobicContact CG2-CB 4.23Å; T88-E90 WeakPolarHBondContact CA-OE2 3.24Å; T88-E90 PolarHBondContact N-OE2 3.36Å; T88-E90 PolarHBondContact OG1-OE1 3.36Å; T88-E90 PolarHBondContact OG1-OE2 3.31Å
91	L	85.4	Confident	90.1	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-78.4	-20.8	178.4	-67.6	174.9	0	0	0	113.6	I66 L77 T87 D89 Q93 L94 L100 F102 V113	I66-L91 HydrophobicContact CD1-CD1 4.21Å; I66-L91 HydrophobicContact CD1-CD2 3.63Å; I66-L91 HydrophobicContact CD1-CG 3.64Å; L77-L91 HydrophobicContact CD2-CD2 4.11Å; T87-L91 HydrophobicContact CG2-CD1 4.18Å; D89-L91 PolarHBondContact O-N 3.45Å; L91-Q93 PolarHBondContact O-N 2.57Å; L91-Q93 VanDerWaalsContact O-N 3.14Å; L91-L94 HydrophobicContact CD2-CD1 4.18Å; L91-L94 PolarHBondContact O-N 2.94Å; L91-L94 VanDerWaalsContact O-N 3.07Å; L91-L100 HydrophobicContact CD1-CD2 4.38Å; L91-L100 HydrophobicContact CD2-CD2 4.46Å; L91-F102 HydrophobicContact CD1-CE2 3.98Å; L91-F102 HydrophobicContact CD1-CZ 4.18Å; L91-F102 HydrophobicContact CD2-CZ 4.48Å; L91-V113 WeakPolarHBondContact CD1-O 3.12Å
92	Q	79.5	Confident	90.1	Very high	99 Å²	99	45.9 Å²	45.9	46%	0.463	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-65.1	-21.9	-174.8	-68.1	177.6	11.2	0	0	112.9	D89	D89-Q92 WeakPolarHBondContact O-CB 3.33Å; D89-Q92 PolarHBondContact O-N 2.82Å; D89-Q92 VanDerWaalsContact O-N 3.12Å; D89-Q92 PolarHBondContact OD1-NE2 3.06Å
93	Q	81.6	Confident	90.1	Very high	133 Å²	133	46.1 Å²	46.1	62%	0.621	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-84.9	-13.1	179.8	-59.4	-179	13.6	0	0	112.8	L91 F95	L91-Q93 PolarHBondContact O-N 2.57Å; L91-Q93 VanDerWaalsContact O-N 3.14Å; Q93-F95 WeakPolarHBondContact O-CD1 3.34Å; Q93-F95 PolarHBondContact O-N 3.23Å
94	L	87.5	Confident	90.2	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.01	23%	0.228	C	C	.	.			trans	-97.3	59.7	-174.6	-54.7	-179.4	0	0	0	111.4	L70 S71 L77 L91 N96 L97	L70-L94 HydrophobicContact CB-CD2 4Å; L70-L94 HydrophobicContact CD1-CD1 3.92Å; S71-L94 VanDerWaalsContact O-CD2 3.26Å; S71-L94 WeakPolarHBondContact O-CD2 3.21Å; L77-L94 HydrophobicContact CD2-CD1 3.85Å; L91-L94 HydrophobicContact CD2-CD1 4.18Å; L91-L94 PolarHBondContact O-N 2.94Å; L91-L94 VanDerWaalsContact O-N 3.07Å; L94-N96 PolarHBondContact O-N 3.22Å; L94-L97 HydrophobicContact CB-CB 4.45Å; L94-L97 WeakPolarHBondContact O-CB 3.38Å; L94-L97 PolarHBondContact O-N 2.82Å
95	F	85.9	Confident	90.3	Very high	110 Å²	110	45.6 Å²	45.6	48%	0.482	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-18.3	-175	55.7	-91.2	0	0	0	114.4	Q93 Q120	Q93-F95 WeakPolarHBondContact O-CD1 3.34Å; Q93-F95 PolarHBondContact O-N 3.23Å; F95-Q120 WeakPolarHBondContact O-CG 3.33Å
96	N	90.2	Very high	90.4	Very high	59 Å²	59	46.8 Å²	46.8	32%	0.316	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	5.8	179.5	-77.5	-15.3	0	0	0	114	L94 T98	L94-N96 PolarHBondContact O-N 3.22Å; N96-T98 PolarHBondContact O-N 3.03Å
97	L	93.7	Very high	90.5	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	21%	0.208	C	C	.	.			trans	-66.3	123.8	-176	-158.9	74.6	0	0	0	111.3	T74 Q75 L77 L94 L100 Q120 L121	T74-L97 HydrophobicContact CG2-CD1 4.12Å; Q75-L97 WeakPolarHBondContact O-CD1 3.3Å; L77-L97 HydrophobicContact CB-CD1 3.7Å; L94-L97 HydrophobicContact CB-CB 4.45Å; L94-L97 WeakPolarHBondContact O-CB 3.38Å; L94-L97 PolarHBondContact O-N 2.82Å; L97-L100 HydrophobicContact CD2-CB 3.78Å; L97-L100 HydrophobicContact CD2-CD1 4.04Å; L97-L100 HydrophobicContact CD2-CD2 3.97Å; L97-L100 HydrophobicContact CD2-CG 4.15Å; L97-Q120 CarbonylContact O-C 3.56Å; L97-Q120 VanDerWaalsContact O-C 3.24Å; L97-L121 HydrophobicContact CB-CD1 4.5Å; L97-L121 HydrophobicContact CD2-CD1 4.07Å; L97-L121 HydrophobicContact CG-CD1 4.13Å; L97-L121 WeakPolarHBondContact O-CA 3.49Å; L97-L121 PolarHBondContact O-N 2.98Å; L97-L121 VanDerWaalsContact O-N 3.17Å
98	T	94.7	Very high	90.8	Very high	24 Å²	24	44 Å²	44	15%	0.147	22%	0.224	C	C	.	.			trans	-102.4	-34.5	177.4	55.6	0	0	0	0	112	Q75 N96 T122 T123	Q75-T98 PolarHBondContact O-N 3.17Å; Q75-T98 PolarHBondContact O-OG1 2.85Å; N96-T98 PolarHBondContact O-N 3.03Å; T98-T122 PolarHBondContact O-N 3.12Å; T98-T122 PolarHBondContact O-OG1 3.48Å; T98-T123 PolarHBondContact O-N 2.78Å; T98-T123 VanDerWaalsContact O-N 3.15Å
99	E	96.3	Very high	91.7	Very high	35 Å²	35	41.7 Å²	41.7	16%	0.164	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	134.5	178.6	-176.4	173.8	132.3	0	0	111.1	W43 Q75 V76 L77 T123	W43-E99 PolarHBondContact NE1-OE2 2.81Å; Q75-E99 PolarHBondContact O-N 2.84Å; Q75-E99 VanDerWaalsContact O-N 3.12Å; V76-E99 WeakPolarHBondContact CA-O 3.39Å; V76-E99 HydrophobicContact CG1-CB 4.16Å; V76-E99 HydrophobicContact CG1-CG 4.37Å; V76-E99 HydrophobicContact CG2-CB 4.15Å; L77-E99 PolarHBondContact N-O 3.27Å; E99-T123 WeakPolarHBondContact CA-O 3.31Å; E99-T123 HydrophobicContact CG-CG2 4.17Å
100	L	96.6	Very high	92.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	119.3	-179.9	-179.2	53.2	0	0	0	109.7	L77 L91 L97 F102 L115 L118 L121 T123 L124 H125	L77-L100 HydrophobicContact CB-CD1 4.05Å; L77-L100 HydrophobicContact CD2-CD1 3.93Å; L77-L100 HydrophobicContact CG-CD1 4.1Å; L91-L100 HydrophobicContact CD1-CD2 4.38Å; L91-L100 HydrophobicContact CD2-CD2 4.46Å; L97-L100 HydrophobicContact CD2-CB 3.78Å; L97-L100 HydrophobicContact CD2-CD1 4.04Å; L97-L100 HydrophobicContact CD2-CD2 3.97Å; L97-L100 HydrophobicContact CD2-CG 4.15Å; L100-F102 HydrophobicContact CD1-CD2 3.96Å; L100-F102 HydrophobicContact CD1-CE2 3.71Å; L100-F102 HydrophobicContact CD1-CZ 4.04Å; L100-F102 HydrophobicContact CD2-CD2 3.9Å; L100-F102 HydrophobicContact CD2-CE2 3.6Å; L100-F102 HydrophobicContact CG-CD2 3.76Å; L100-F102 HydrophobicContact CG-CE2 3.8Å; L100-L115 HydrophobicContact CD2-CD2 4.03Å; L100-L118 HydrophobicContact CD2-CD1 4.17Å; L100-L121 HydrophobicContact CB-CD1 3.75Å; L100-L121 HydrophobicContact CB-CD2 4.43Å; L100-T123 PolarHBondContact N-O 3.41Å; L100-T123 VanDerWaalsContact N-O 3.13Å; L100-L124 HydrophobicContact CB-CD1 4.09Å; L100-L124 HydrophobicContact CD2-CD1 4.13Å; L100-L124 HydrophobicContact CG-CD1 4.12Å; L100-H125 PolarHBondContact O-N 3.36Å
101	D	97.7	Very high	93	Very high	17 Å²	17	42 Å²	42	9%	0.091	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	110.6	177.3	-174.4	-0.6	0	0	0	111.5	L77 L78 L79 S103 H125	L77-D101 PolarHBondContact O-N 3Å; L78-D101 HydrophobicContact CD2-CB 3.87Å; L79-D101 CarbonylContact C-O 3.15Å; L79-D101 WeakPolarHBondContact CA-O 3.35Å; L79-D101 WeakPolarHBondContact CB-O 3.33Å; L79-D101 PolarHBondContact N-O 2.9Å; D101-S103 WeakPolarHBondContact OD1-CB 3.48Å; D101-S103 PolarHBondContact OD1-N 2.94Å; D101-S103 PolarHBondContact OD1-OG 3.13Å; D101-H125 HydrophobicContact CB-CB 4.27Å; D101-H125 WeakPolarHBondContact OD1-CB 3.27Å
102	F	97.6	Very high	93.3	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.216	C	C	.	.			trans	-116.6	21	173.7	-83.4	-50.9	0	0	0	112.1	I66 L79 I84 T87 L91 L100 N105 F107 V113 H125 L126 N129	I66-F102 HydrophobicContact CD1-CE1 4.34Å; I66-F102 HydrophobicContact CD1-CZ 3.77Å; I66-F102 HydrophobicContact CG1-CE1 4.46Å; I66-F102 HydrophobicContact CG1-CZ 4.37Å; L79-F102 HydrophobicContact CB-CD1 3.88Å; L79-F102 HydrophobicContact CB-CE1 3.97Å; L79-F102 HydrophobicContact CD1-CD1 4.19Å; L79-F102 HydrophobicContact CD1-CE1 3.42Å; L79-F102 VanDerWaalsContact CD1-CE1 3.42Å; L79-F102 HydrophobicContact CD1-CZ 3.98Å; L79-F102 HydrophobicContact CG-CE1 4.32Å; I84-F102 HydrophobicContact CD1-CE1 4.06Å; T87-F102 HydrophobicContact CG2-CE1 4.49Å; T87-F102 HydrophobicContact CG2-CE2 4.33Å; T87-F102 HydrophobicContact CG2-CZ 3.85Å; L91-F102 HydrophobicContact CD1-CE2 3.98Å; L91-F102 HydrophobicContact CD1-CZ 4.18Å; L91-F102 HydrophobicContact CD2-CZ 4.48Å; L100-F102 HydrophobicContact CD1-CD2 3.96Å; L100-F102 HydrophobicContact CD1-CE2 3.71Å; L100-F102 HydrophobicContact CD1-CZ 4.04Å; L100-F102 HydrophobicContact CD2-CD2 3.9Å; L100-F102 HydrophobicContact CD2-CE2 3.6Å; L100-F102 HydrophobicContact CG-CD2 3.76Å; L100-F102 HydrophobicContact CG-CE2 3.8Å; F102-N105 PolarHBondContact O-ND2 3.29Å; F102-F107 HydrophobicContact CB-CD2 4.39Å; F102-F107 HydrophobicContact CB-CE2 3.84Å; F102-F107 AromaticContact CD1-CE2 3.67Å; F102-F107 HydrophobicContact CD1-CE2 3.67Å; F102-F107 HydrophobicContact CD1-CZ 4.03Å; F102-F107 HydrophobicContact CD2-CE2 4.24Å; F102-F107 HydrophobicContact CD2-CZ 4.43Å; F102-F107 HydrophobicContact CE1-CE2 4.22Å; F102-F107 HydrophobicContact CE1-CZ 4.1Å; F102-F107 HydrophobicContact CE2-CZ 4.47Å; F102-F107 AromaticContact CG-CE2 3.7Å; F102-F107 HydrophobicContact CG-CE2 3.7Å; F102-F107 HydrophobicContact CG-CZ 4.21Å; F102-F107 HydrophobicContact CZ-CZ 4.35Å; F102-V113 HydrophobicContact CD2-CG1 3.71Å; F102-V113 HydrophobicContact CE2-CG1 3.81Å; F102-H125 CarbonylContact C-O 3.57Å; F102-H125 WeakPolarHBondContact CA-O 3.43Å; F102-H125 PolarHBondContact N-O 2.99Å; F102-L126 HydrophobicContact CB-CD2 3.82Å; F102-L126 HydrophobicContact CD2-CD2 4.45Å; F102-N129 PolarHBondContact O-ND2 3.03Å
103	S	97.9	Very high	94	Very high	10 Å²	10	38.9 Å²	38.9	7%	0.07	19%	0.194	C	C	.	.			trans	-59.4	152.6	178.3	62.3	0	0	0	0	111.8	Q80 S81 D101 N105 E127	Q80-S103 WeakPolarHBondContact CA-O 3.34Å; Q80-S103 WeakPolarHBondContact CB-OG 3.36Å; S81-S103 PolarHBondContact N-O 2.62Å; S81-S103 VanDerWaalsContact N-O 3.13Å; D101-S103 WeakPolarHBondContact OD1-CB 3.48Å; D101-S103 PolarHBondContact OD1-N 2.94Å; D101-S103 PolarHBondContact OD1-OG 3.13Å; S103-N105 PolarHBondContact O-N 3.39Å; S103-N105 PolarHBondContact O-ND2 3.02Å; S103-E127 CarbonylContact C-O 3.49Å; S103-E127 WeakPolarHBondContact CA-O 3.23Å
104	Q	97.8	Very high	94.3	Very high	79 Å²	79	33.2 Å²	33.2	37%	0.369	17%	0.172	S	C	.	.	S	Bend	trans	53.7	49.7	178.3	-60.1	178.4	25.3	0	0	113.6	S81 N82 E127 E128	S81-Q104 VanDerWaalsContact CA-O 3.3Å; S81-Q104 WeakPolarHBondContact CA-O 3.47Å; S81-Q104 PolarHBondContact N-O 3.21Å; S81-Q104 PolarHBondContact OG-OE1 2.99Å; N82-Q104 PolarHBondContact N-O 3.07Å; Q104-E127 PolarHBondContact N-O 3.36Å; Q104-E128 WeakPolarHBondContact CA-O 2.95Å; Q104-E128 HydrophobicContact CB-CB 4.44Å; Q104-E128 HydrophobicContact CG-CB 3.69Å; Q104-E128 HydrophobicContact CG-CG 4.29Å; Q104-E128 WeakPolarHBondContact CG-OE2 3.49Å
105	N	97.9	Very high	94.5	Very high	11 Å²	11	33.8 Å²	33.8	6%	0.059	17%	0.174	C	C	.	.	S	Bend	trans	-120.6	-166.9	175	-86.3	-88.2	0	0	0	110.7	L79 N82 I84 F102 S103 F107 N129	L79-N105 PolarHBondContact O-ND2 3.22Å; N82-N105 WeakPolarHBondContact CA-OD1 3.31Å; N82-N105 WeakPolarHBondContact CB-OD1 3.48Å; N82-N105 WeakPolarHBondContact O-CA 3.39Å; N82-N105 PolarHBondContact O-OD1 2.89Å; I84-N105 WeakPolarHBondContact CB-OD1 3.48Å; I84-N105 WeakPolarHBondContact CG1-OD1 3.38Å; I84-N105 PolarHBondContact N-OD1 3.26Å; F102-N105 PolarHBondContact O-ND2 3.29Å; S103-N105 PolarHBondContact O-N 3.39Å; S103-N105 PolarHBondContact O-ND2 3.02Å; N105-F107 HydrophobicContact CB-CD2 3.89Å; N105-F107 HydrophobicContact CB-CE2 3.98Å; N105-N129 VanDerWaalsContact CA-OD1 3.3Å; N105-N129 WeakPolarHBondContact CA-OD1 3.33Å; N105-N129 VanDerWaalsContact CB-OD1 3.24Å; N105-N129 WeakPolarHBondContact CB-OD1 3.07Å; N105-N129 PolarHBondContact N-OD1 3.36Å; N105-N129 PolarHBondContact O-OD1 3.1Å; N105-N129 VanDerWaalsContact O-OD1 3.09Å
106	N	97.4	Very high	94.5	Very high	64 Å²	64	30.6 Å²	30.6	34%	0.342	17%	0.166	S	C	.	.			trans	-115.7	30.8	-174.5	-159.4	67.2	0	0	0	112.7	I84 A85 N129 Q130	I84-N106 CarbonylContact O-C 3.09Å; I84-N106 WeakPolarHBondContact O-CA 3.32Å; I84-N106 PolarHBondContact O-N 3.2Å; A85-N106 WeakPolarHBondContact CA-O 3.26Å; A85-N106 HydrophobicContact CB-CB 4.31Å; N106-N129 PolarHBondContact N-OD1 3.28Å; N106-Q130 VanDerWaalsContact OD1-CD 3.24Å; N106-Q130 PolarHBondContact OD1-NE2 2.92Å; N106-Q130 PolarHBondContact OD1-OE1 2.83Å
107	F	97.4	Very high	94.2	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.18	C	C	.	.			trans	-70.5	132.2	177.7	-69.1	-72.1	0	0	0	111.3	I84 A85 T87 F102 N105 D112 V113 N129 Q130 I131	I84-F107 HydrophobicContact CB-CE2 4.36Å; I84-F107 HydrophobicContact CB-CZ 4.12Å; I84-F107 HydrophobicContact CG2-CE1 4.04Å; I84-F107 HydrophobicContact CG2-CE2 4.26Å; I84-F107 HydrophobicContact CG2-CZ 3.54Å; A85-F107 WeakPolarHBondContact O-CD1 3.29Å; T87-F107 HydrophobicContact CG2-CE1 3.96Å; T87-F107 HydrophobicContact CG2-CZ 3.84Å; F102-F107 HydrophobicContact CB-CD2 4.39Å; F102-F107 HydrophobicContact CB-CE2 3.84Å; F102-F107 AromaticContact CD1-CE2 3.67Å; F102-F107 HydrophobicContact CD1-CE2 3.67Å; F102-F107 HydrophobicContact CD1-CZ 4.03Å; F102-F107 HydrophobicContact CD2-CE2 4.24Å; F102-F107 HydrophobicContact CD2-CZ 4.43Å; F102-F107 HydrophobicContact CE1-CE2 4.22Å; F102-F107 HydrophobicContact CE1-CZ 4.1Å; F102-F107 HydrophobicContact CE2-CZ 4.47Å; F102-F107 AromaticContact CG-CE2 3.7Å; F102-F107 HydrophobicContact CG-CE2 3.7Å; F102-F107 HydrophobicContact CG-CZ 4.21Å; F102-F107 HydrophobicContact CZ-CZ 4.35Å; N105-F107 HydrophobicContact CB-CD2 3.89Å; N105-F107 HydrophobicContact CB-CE2 3.98Å; F107-D112 HydrophobicContact CD1-CB 4.42Å; F107-D112 WeakPolarHBondContact CE1-O 3.47Å; F107-V113 HydrophobicContact CB-CG2 4.35Å; F107-V113 HydrophobicContact CD1-CG2 3.83Å; F107-V113 HydrophobicContact CD2-CG2 4.4Å; F107-V113 HydrophobicContact CE1-CB 4.46Å; F107-V113 HydrophobicContact CE1-CG2 4.19Å; F107-V113 HydrophobicContact CG-CG2 3.95Å; F107-N129 HydrophobicContact CB-CB 4.38Å; F107-N129 VanDerWaalsContact CD2-OD1 3.3Å; F107-N129 WeakPolarHBondContact CD2-OD1 3.2Å; F107-N129 PolarHBondContact N-OD1 3.17Å; F107-Q130 CarbonylContact O-C 3.56Å; F107-Q130 VanDerWaalsContact O-CA 3.29Å; F107-Q130 WeakPolarHBondContact O-CA 3.41Å; F107-Q130 PolarHBondContact O-N 3.35Å; F107-I131 HydrophobicContact CB-CG1 4.4Å; F107-I131 PolarHBondContact O-N 2.81Å
108	T	96.1	Very high	94.1	Very high	64 Å²	64	33.3 Å²	33.3	39%	0.393	18%	0.181	S	C	.	.			trans	-106.2	-19	179.9	64.9	0	0	0	0	113.7	Q130 I131 T132	T108-Q130 WeakPolarHBondContact CA-O 2.93Å; T108-Q130 HydrophobicContact CG2-CB 4.35Å; T108-I131 WeakPolarHBondContact O-CA 3.12Å; T108-T132 PolarHBondContact O-N 2.81Å
109	S	95.6	Very high	93.9	Very high	24 Å²	24	35.1 Å²	35.1	17%	0.168	19%	0.191	C	C	.	.	S	Bend	trans	-145.3	146.7	178	-174.6	0	0	0	0	110.4	K111 D112	S109-K111 PolarHBondContact O-N 2.91Å; S109-K111 PolarHBondContact OG-N 2.66Å; S109-D112 PolarHBondContact O-N 3.2Å; S109-D112 VanDerWaalsContact O-N 3.1Å
110	I	94.6	Very high	93.7	Very high	5 Å²	5	37.8 Å²	37.8	3%	0.026	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-59	-31.6	174.1	-66.4	175.7	0	0	0	111.4	D112 V113 L115 I131 M134 C138 L139 I150	I110-D112 PolarHBondContact O-N 2.75Å; I110-V113 WeakPolarHBondContact O-CB 2.9Å; I110-V113 PolarHBondContact O-N 3.19Å; I110-V113 VanDerWaalsContact O-N 3.09Å; I110-L115 HydrophobicContact CG2-CD1 4.12Å; I110-I131 HydrophobicContact CG1-CD1 4.3Å; I110-I131 HydrophobicContact CG1-CG2 4.18Å; I110-M134 HydrophobicContact CD1-CB 4.3Å; I110-M134 HydrophobicContact CD1-CE 3.63Å; I110-M134 HydrophobicContact CD1-CG 3.71Å; I110-M134 HydrophobicContact CD1-SD 4.22Å; I110-C138 HydrophobicContact CB-CB 4.3Å; I110-C138 HydrophobicContact CG2-CB 3.97Å; I110-L139 HydrophobicContact CG2-CD2 3.62Å; I110-L139 HydrophobicContact CG2-CG 4.27Å; I110-I150 HydrophobicContact CD1-CD1 3.94Å; I110-I150 HydrophobicContact CG1-CD1 4.29Å
111	K	91.5	Very high	93.6	Very high	145 Å²	145	37.8 Å²	37.8	63%	0.63	20%	0.204	S	C	*	.	G	3₁₀ helix	trans	-63.4	-32	178.3	-68.3	-178.4	-178.7	174	0	112.7	S109 V113 G114	S109-K111 PolarHBondContact O-N 2.91Å; S109-K111 PolarHBondContact OG-N 2.66Å; K111-V113 PolarHBondContact O-N 3.05Å; K111-G114 PolarHBondContact O-N 3.04Å
112	D	92.3	Very high	93.6	Very high	33 Å²	33	38 Å²	38	18%	0.176	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-76.8	-9.8	179	-66.7	-45.7	0	0	0	112.4	K86 T87 F107 S109 I110	K86-D112 CarbonylContact C-O 3.15Å; K86-D112 VanDerWaalsContact CA-O 3.29Å; K86-D112 WeakPolarHBondContact CA-O 3.41Å; K86-D112 HydrophobicContact CB-CB 4.09Å; K86-D112 HydrophobicContact CD-CB 4.4Å; K86-D112 WeakPolarHBondContact CD-OD1 3.47Å; K86-D112 VanDerWaalsContact CE-OD1 3.32Å; K86-D112 WeakPolarHBondContact CE-OD1 3.31Å; K86-D112 HydrophobicContact CG-CB 4Å; K86-D112 IonicContact NZ-OD1 2.77Å; K86-D112 PolarHBondContact NZ-OD1 3.23Å; T87-D112 PolarHBondContact N-O 3.17Å; T87-D112 PolarHBondContact OG1-O 3.23Å; F107-D112 HydrophobicContact CD1-CB 4.42Å; F107-D112 WeakPolarHBondContact CE1-O 3.47Å; S109-D112 PolarHBondContact O-N 3.2Å; S109-D112 VanDerWaalsContact O-N 3.1Å; I110-D112 PolarHBondContact O-N 2.75Å
113	V	92.9	Very high	93.6	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-77.1	-22.4	174.8	-172.2	0	0	0	0	111.9	T87 L91 F102 F107 I110 K111 L115 L126	T87-V113 WeakPolarHBondContact CG2-O 3.24Å; T87-V113 PolarHBondContact OG1-O 2.74Å; L91-V113 WeakPolarHBondContact CD1-O 3.12Å; F102-V113 HydrophobicContact CD2-CG1 3.71Å; F102-V113 HydrophobicContact CE2-CG1 3.81Å; F107-V113 HydrophobicContact CB-CG2 4.35Å; F107-V113 HydrophobicContact CD1-CG2 3.83Å; F107-V113 HydrophobicContact CD2-CG2 4.4Å; F107-V113 HydrophobicContact CE1-CB 4.46Å; F107-V113 HydrophobicContact CE1-CG2 4.19Å; F107-V113 HydrophobicContact CG-CG2 3.95Å; I110-V113 WeakPolarHBondContact O-CB 2.9Å; I110-V113 PolarHBondContact O-N 3.19Å; I110-V113 VanDerWaalsContact O-N 3.09Å; K111-V113 PolarHBondContact O-N 3.05Å; V113-L115 HydrophobicContact CB-CD1 4.14Å; V113-L115 HydrophobicContact CB-CG 3.99Å; V113-L115 HydrophobicContact CG1-CD1 4.01Å; V113-L115 HydrophobicContact CG1-CD2 3.69Å; V113-L115 HydrophobicContact CG1-CG 3.69Å; V113-L126 HydrophobicContact CG1-CD2 4.01Å; V113-L126 HydrophobicContact CG2-CD2 3.9Å
114	G	89.6	Confident	93.5	Very high	15 Å²	15	37.6 Å²	37.6	16%	0.155	20%	0.203	C	C	.	.			trans	68.8	45.2	174.1	0	0	0	0	0	114.6	T87 K111 S116	T87-G114 WeakPolarHBondContact OG1-CA 3.42Å; T87-G114 PolarHBondContact OG1-N 3.28Å; K111-G114 PolarHBondContact O-N 3.04Å; G114-S116 PolarHBondContact O-N 2.97Å
115	L	90.6	Very high	93.6	Very high	13 Å²	13	35.2 Å²	35.2	7%	0.068	19%	0.192	C	C	.	.			trans	-81.3	12.7	-173.4	-62.6	166.2	0	0	0	114.9	L100 I110 V113 L118 L124 L139 L142	L100-L115 HydrophobicContact CD2-CD2 4.03Å; I110-L115 HydrophobicContact CG2-CD1 4.12Å; V113-L115 HydrophobicContact CB-CD1 4.14Å; V113-L115 HydrophobicContact CB-CG 3.99Å; V113-L115 HydrophobicContact CG1-CD1 4.01Å; V113-L115 HydrophobicContact CG1-CD2 3.69Å; V113-L115 HydrophobicContact CG1-CG 3.69Å; L115-L118 HydrophobicContact CD2-CD1 3.95Å; L115-L124 HydrophobicContact CD1-CD2 3.77Å; L115-L124 HydrophobicContact CD2-CD1 4.18Å; L115-L124 HydrophobicContact CD2-CD2 4.1Å; L115-L139 HydrophobicContact CD1-CD2 3.63Å; L115-L142 HydrophobicContact CB-CD2 4.39Å; L115-L142 HydrophobicContact CD1-CD1 4.24Å
116	S	86.7	Confident	93.6	Very high	44 Å²	44	34.7 Å²	34.7	31%	0.308	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	136.9	-176.8	53.9	0	0	0	0	111.8	G114 L118	G114-S116 PolarHBondContact O-N 2.97Å; S116-L118 VanDerWaalsContact C-N 3.26Å; S116-L118 PolarHBondContact O-N 2.96Å
117	N	83.7	Confident	93.6	Very high	114 Å²	114	33.6 Å²	33.6	61%	0.61	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.7	11.1	177.5	-62.7	-26.5	0	0	0	117.1	T119 D141	N117-T119 PolarHBondContact O-N 3.45Å; N117-D141 PolarHBondContact N-OD2 2.8Å
118	L	90.5	Very high	93.6	Very high	3 Å²	3	38.4 Å²	38.4	2%	0.016	20%	0.204	C	C	.	.			trans	-80.3	59.7	176.2	-61.7	-178.8	0	0	0	112.4	L100 L115 S116 Q120 L121 L142	L100-L118 HydrophobicContact CD2-CD1 4.17Å; L115-L118 HydrophobicContact CD2-CD1 3.95Å; S116-L118 VanDerWaalsContact C-N 3.26Å; S116-L118 PolarHBondContact O-N 2.96Å; L118-Q120 VanDerWaalsContact C-N 3.3Å; L118-Q120 PolarHBondContact O-N 3.36Å; L118-L121 HydrophobicContact CB-CB 4.35Å; L118-L121 WeakPolarHBondContact O-CB 3.21Å; L118-L121 PolarHBondContact O-N 3.31Å; L118-L142 HydrophobicContact CB-CD2 3.81Å; L118-L142 WeakPolarHBondContact O-CD2 3.24Å
119	T	90.4	Very high	93.7	Very high	61 Å²	61	35.8 Å²	35.8	37%	0.374	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-20.2	-170.7	61.9	0	0	0	0	114.6	N117 N144	N117-T119 PolarHBondContact O-N 3.45Å; T119-N144 WeakPolarHBondContact O-CB 3.43Å; T119-N144 PolarHBondContact O-ND2 2.87Å
120	Q	92.7	Very high	93.8	Very high	92 Å²	92	38.3 Å²	38.3	43%	0.43	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-7.2	179.2	-62.2	-55.7	-57.8	0	0	113.5	F95 L97 L118 T122	F95-Q120 WeakPolarHBondContact O-CG 3.33Å; L97-Q120 CarbonylContact O-C 3.56Å; L97-Q120 VanDerWaalsContact O-C 3.24Å; L118-Q120 VanDerWaalsContact C-N 3.3Å; L118-Q120 PolarHBondContact O-N 3.36Å; Q120-T122 PolarHBondContact O-N 3.34Å
121	L	95.3	Very high	94	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.196	C	C	.	.			trans	-65.5	124.7	-174.9	-163.2	72.8	0	0	0	110.4	L97 L100 L118 L124 L142 N144 L145	L97-L121 HydrophobicContact CB-CD1 4.5Å; L97-L121 HydrophobicContact CD2-CD1 4.07Å; L97-L121 HydrophobicContact CG-CD1 4.13Å; L97-L121 WeakPolarHBondContact O-CA 3.49Å; L97-L121 PolarHBondContact O-N 2.98Å; L97-L121 VanDerWaalsContact O-N 3.17Å; L100-L121 HydrophobicContact CB-CD1 3.75Å; L100-L121 HydrophobicContact CB-CD2 4.43Å; L118-L121 HydrophobicContact CB-CB 4.35Å; L118-L121 WeakPolarHBondContact O-CB 3.21Å; L118-L121 PolarHBondContact O-N 3.31Å; L121-L124 HydrophobicContact CD2-CB 4.01Å; L121-L124 HydrophobicContact CD2-CD1 4.27Å; L121-L124 HydrophobicContact CD2-CD2 4.42Å; L121-L124 HydrophobicContact CD2-CG 4.47Å; L121-L142 HydrophobicContact CB-CD2 4.38Å; L121-L142 HydrophobicContact CD2-CD1 4.45Å; L121-L142 HydrophobicContact CD2-CD2 4.09Å; L121-N144 CarbonylContact O-C 3.6Å; L121-N144 VanDerWaalsContact O-C 3.24Å; L121-L145 HydrophobicContact CD2-CD1 4.11Å; L121-L145 HydrophobicContact CG-CD1 4.11Å; L121-L145 VanDerWaalsContact O-CA 3.28Å; L121-L145 WeakPolarHBondContact O-CA 3.18Å; L121-L145 PolarHBondContact O-N 3.12Å; L121-L145 VanDerWaalsContact O-N 3.15Å
122	T	96.3	Very high	94.2	Very high	20 Å²	20	34 Å²	34	12%	0.123	18%	0.183	C	C	.	.			trans	-104.5	-32.6	177.5	58.3	0	0	0	0	112.2	T98 Q120 Q146 E147	T98-T122 PolarHBondContact O-N 3.12Å; T98-T122 PolarHBondContact O-OG1 3.48Å; Q120-T122 PolarHBondContact O-N 3.34Å; T122-Q146 PolarHBondContact O-N 2.82Å; T122-E147 PolarHBondContact O-N 3.18Å
123	T	97.3	Very high	94.5	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.012	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	130.7	-176.4	-59.4	0	0	0	0	110.5	T98 E99 L100 H125 E147 Y149	T98-T123 PolarHBondContact O-N 2.78Å; T98-T123 VanDerWaalsContact O-N 3.15Å; E99-T123 WeakPolarHBondContact CA-O 3.31Å; E99-T123 HydrophobicContact CG-CG2 4.17Å; L100-T123 PolarHBondContact N-O 3.41Å; L100-T123 VanDerWaalsContact N-O 3.13Å; T123-H125 VanDerWaalsContact CG2-NE2 3.28Å; T123-H125 WeakPolarHBondContact CG2-NE2 3.49Å; T123-E147 HydrophobicContact CG2-CB 4.12Å; T123-E147 PolarHBondContact OG1-OE2 3.44Å; T123-Y149 HydrophobicContact CG2-CE2 4.19Å
124	L	97.8	Very high	94.7	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	120.8	179.4	177.1	59	0	0	0	110.7	L100 L115 L121 L126 L142 L145 E147 L148 Y149	L100-L124 HydrophobicContact CB-CD1 4.09Å; L100-L124 HydrophobicContact CD2-CD1 4.13Å; L100-L124 HydrophobicContact CG-CD1 4.12Å; L115-L124 HydrophobicContact CD1-CD2 3.77Å; L115-L124 HydrophobicContact CD2-CD1 4.18Å; L115-L124 HydrophobicContact CD2-CD2 4.1Å; L121-L124 HydrophobicContact CD2-CB 4.01Å; L121-L124 HydrophobicContact CD2-CD1 4.27Å; L121-L124 HydrophobicContact CD2-CD2 4.42Å; L121-L124 HydrophobicContact CD2-CG 4.47Å; L124-L126 HydrophobicContact CD1-CD1 4.47Å; L124-L126 HydrophobicContact CD1-CG 4.15Å; L124-L126 HydrophobicContact CD2-CD1 3.9Å; L124-L126 HydrophobicContact CD2-CG 4.41Å; L124-L126 HydrophobicContact CG-CD1 4.11Å; L124-L126 HydrophobicContact CG-CG 4.08Å; L124-L142 HydrophobicContact CD2-CD1 4Å; L124-L145 HydrophobicContact CB-CD1 3.84Å; L124-E147 PolarHBondContact N-O 3.48Å; L124-E147 VanDerWaalsContact N-O 3.07Å; L124-L148 HydrophobicContact CB-CD1 4.19Å; L124-L148 HydrophobicContact CD2-CD1 3.94Å; L124-L148 HydrophobicContact CG-CD1 4.12Å; L124-Y149 PolarHBondContact O-N 2.84Å
125	H	98.4	Very high	95	Very high	30 Å²	30	37.4 Å²	37.4	14%	0.139	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	121.3	173.8	-56.2	-94	0	0	0	111.3	L100 D101 F102 T123 E127 Y149	L100-H125 PolarHBondContact O-N 3.36Å; D101-H125 HydrophobicContact CB-CB 4.27Å; D101-H125 WeakPolarHBondContact OD1-CB 3.27Å; F102-H125 CarbonylContact C-O 3.57Å; F102-H125 WeakPolarHBondContact CA-O 3.43Å; F102-H125 PolarHBondContact N-O 2.99Å; T123-H125 VanDerWaalsContact CG2-NE2 3.28Å; T123-H125 WeakPolarHBondContact CG2-NE2 3.49Å; H125-E127 IonicContact CE1-OE1 3.12Å; H125-E127 IonicContact CG-OE1 2.76Å; H125-E127 IonicContact ND1-OE1 3.99Å; H125-E127 PolarHBondContact ND1-OE1 2.85Å; H125-Y149 AromaticContact CE1-CD2 3.34Å; H125-Y149 WeakPolarHBondContact CE1-CD2 3.08Å; H125-Y149 AromaticContact CE1-CE2 3.43Å; H125-Y149 VanDerWaalsContact CE1-CE2 3.43Å; H125-Y149 WeakPolarHBondContact CE1-CE2 3.33Å; H125-Y149 AromaticContact ND1-CD2 3.3Å; H125-Y149 VanDerWaalsContact ND1-CD2 3.3Å; H125-Y149 WeakPolarHBondContact ND1-CD2 3.22Å; H125-Y149 AromaticContact ND1-CE2 3.89Å; H125-Y149 AromaticContact ND1-CG 3.67Å
126	L	98	Very high	95.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.211	C	C	.	.			trans	-131.8	16	176.8	-70.5	172.4	0	0	0	111.7	F102 V113 L124 N129 I131 Y149 I150 N153	F102-L126 HydrophobicContact CB-CD2 3.82Å; F102-L126 HydrophobicContact CD2-CD2 4.45Å; V113-L126 HydrophobicContact CG1-CD2 4.01Å; V113-L126 HydrophobicContact CG2-CD2 3.9Å; L124-L126 HydrophobicContact CD1-CD1 4.47Å; L124-L126 HydrophobicContact CD1-CG 4.15Å; L124-L126 HydrophobicContact CD2-CD1 3.9Å; L124-L126 HydrophobicContact CD2-CG 4.41Å; L124-L126 HydrophobicContact CG-CD1 4.11Å; L124-L126 HydrophobicContact CG-CG 4.08Å; L126-N129 PolarHBondContact O-ND2 3.38Å; L126-N129 VanDerWaalsContact O-ND2 3.14Å; L126-I131 HydrophobicContact CB-CD1 4.27Å; L126-I131 HydrophobicContact CD1-CD1 4.33Å; L126-Y149 CarbonylContact C-O 3.53Å; L126-Y149 WeakPolarHBondContact CA-O 3.38Å; L126-Y149 WeakPolarHBondContact CB-O 3.43Å; L126-Y149 PolarHBondContact N-O 3.39Å; L126-I150 HydrophobicContact CB-CG1 4.12Å; L126-I150 HydrophobicContact CD1-CD1 4.42Å; L126-N153 PolarHBondContact O-ND2 2.87Å
127	E	97.9	Very high	95.6	Very high	40 Å²	40	43.5 Å²	43.5	19%	0.187	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	152	-179	44	-153.9	141.1	0	0	112.8	S103 Q104 H125 N129 Y149 N151	S103-E127 CarbonylContact C-O 3.49Å; S103-E127 WeakPolarHBondContact CA-O 3.23Å; Q104-E127 PolarHBondContact N-O 3.36Å; H125-E127 IonicContact CE1-OE1 3.12Å; H125-E127 IonicContact CG-OE1 2.76Å; H125-E127 IonicContact ND1-OE1 3.99Å; H125-E127 PolarHBondContact ND1-OE1 2.85Å; E127-N129 PolarHBondContact O-N 3.08Å; E127-N129 PolarHBondContact O-ND2 2.85Å; E127-Y149 PolarHBondContact N-O 3.17Å; E127-Y149 WeakPolarHBondContact OE1-CB 3.49Å; E127-N151 VanDerWaalsContact CA-O 3.22Å; E127-N151 WeakPolarHBondContact CA-O 3.32Å; E127-N151 WeakPolarHBondContact CB-O 3.17Å; E127-N151 VanDerWaalsContact OE2-CG 3.27Å; E127-N151 PolarHBondContact OE2-ND2 3.23Å; E127-N151 PolarHBondContact OE2-OD1 3.28Å
128	E	97.8	Very high	96.2	Very high	102 Å²	102	39.2 Å²	39.2	48%	0.477	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	41.9	-177	-62.6	-174.9	-142.3	0	0	114.3	Q104 N151 H152	Q104-E128 WeakPolarHBondContact CA-O 2.95Å; Q104-E128 HydrophobicContact CB-CB 4.44Å; Q104-E128 HydrophobicContact CG-CB 3.69Å; Q104-E128 HydrophobicContact CG-CG 4.29Å; Q104-E128 WeakPolarHBondContact CG-OE2 3.49Å; E128-N151 PolarHBondContact N-O 3.46Å; E128-H152 VanDerWaalsContact CA-O 3.3Å; E128-H152 WeakPolarHBondContact CA-O 3.26Å; E128-H152 HydrophobicContact CG-CB 3.73Å; E128-H152 PolarHBondContact N-O 2.96Å
129	N	98.1	Very high	96.4	Very high	8 Å²	8	39.1 Å²	39.1	4%	0.043	20%	0.196	C	C	.	.	S	Bend	trans	-108.9	-165.6	170.7	-84.1	-88.3	0	0	0	110.8	F102 N105 N106 F107 L126 E127 I131 N153	F102-N129 PolarHBondContact O-ND2 3.03Å; N105-N129 VanDerWaalsContact CA-OD1 3.3Å; N105-N129 WeakPolarHBondContact CA-OD1 3.33Å; N105-N129 VanDerWaalsContact CB-OD1 3.24Å; N105-N129 WeakPolarHBondContact CB-OD1 3.07Å; N105-N129 PolarHBondContact N-OD1 3.36Å; N105-N129 PolarHBondContact O-OD1 3.1Å; N105-N129 VanDerWaalsContact O-OD1 3.09Å; N106-N129 PolarHBondContact N-OD1 3.28Å; F107-N129 HydrophobicContact CB-CB 4.38Å; F107-N129 VanDerWaalsContact CD2-OD1 3.3Å; F107-N129 WeakPolarHBondContact CD2-OD1 3.2Å; F107-N129 PolarHBondContact N-OD1 3.17Å; L126-N129 PolarHBondContact O-ND2 3.38Å; L126-N129 VanDerWaalsContact O-ND2 3.14Å; E127-N129 PolarHBondContact O-N 3.08Å; E127-N129 PolarHBondContact O-ND2 2.85Å; N129-I131 HydrophobicContact CB-CD1 4.49Å; N129-I131 HydrophobicContact CB-CG1 4.27Å; N129-N153 WeakPolarHBondContact CA-OD1 3.4Å; N129-N153 WeakPolarHBondContact CB-OD1 3.49Å; N129-N153 PolarHBondContact N-OD1 2.78Å; N129-N153 PolarHBondContact O-OD1 2.85Å
130	Q	97.6	Very high	96.5	Very high	77 Å²	77	40.8 Å²	40.8	36%	0.36	20%	0.199	S	C	.	.			trans	-116.4	28.9	-179.6	-61.6	176.2	13.4	0	0	112.2	N106 F107 T108 T132 N153	N106-Q130 VanDerWaalsContact OD1-CD 3.24Å; N106-Q130 PolarHBondContact OD1-NE2 2.92Å; N106-Q130 PolarHBondContact OD1-OE1 2.83Å; F107-Q130 CarbonylContact O-C 3.56Å; F107-Q130 VanDerWaalsContact O-CA 3.29Å; F107-Q130 WeakPolarHBondContact O-CA 3.41Å; F107-Q130 PolarHBondContact O-N 3.35Å; T108-Q130 WeakPolarHBondContact CA-O 2.93Å; T108-Q130 HydrophobicContact CG2-CB 4.35Å; Q130-T132 PolarHBondContact O-N 3.29Å; Q130-N153 PolarHBondContact N-OD1 2.98Å
131	I	98.1	Very high	96.3	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.197	C	C	.	.			trans	-67.4	128.6	-176.3	-59	171.9	0	0	0	109.6	F107 T108 I110 L126 N129 I150 N153 Q154 I155	F107-I131 HydrophobicContact CB-CG1 4.4Å; F107-I131 PolarHBondContact O-N 2.81Å; T108-I131 WeakPolarHBondContact O-CA 3.12Å; I110-I131 HydrophobicContact CG1-CD1 4.3Å; I110-I131 HydrophobicContact CG1-CG2 4.18Å; L126-I131 HydrophobicContact CB-CD1 4.27Å; L126-I131 HydrophobicContact CD1-CD1 4.33Å; N129-I131 HydrophobicContact CB-CD1 4.49Å; N129-I131 HydrophobicContact CB-CG1 4.27Å; I131-I150 HydrophobicContact CD1-CD1 3.91Å; I131-I150 HydrophobicContact CD1-CG1 4.11Å; I131-N153 HydrophobicContact CB-CB 4.34Å; I131-N153 WeakPolarHBondContact CB-OD1 3.43Å; I131-N153 WeakPolarHBondContact CG1-OD1 3.45Å; I131-N153 PolarHBondContact N-OD1 2.85Å; I131-Q154 CarbonylContact O-C 3.52Å; I131-Q154 VanDerWaalsContact O-CA 3.25Å; I131-Q154 WeakPolarHBondContact O-CA 3.12Å; I131-Q154 PolarHBondContact O-N 2.97Å; I131-I155 HydrophobicContact CB-CG1 4.33Å; I131-I155 HydrophobicContact CG2-CD1 4.31Å; I131-I155 HydrophobicContact CG2-CG1 4.05Å; I131-I155 WeakPolarHBondContact O-CG1 3.4Å; I131-I155 PolarHBondContact O-N 2.87Å
132	T	97.3	Very high	96.3	Very high	61 Å²	61	39.8 Å²	39.8	37%	0.374	20%	0.197	S	C	.	.			trans	-104.7	-25.4	-171.9	54.3	0	0	0	0	114.7	T108 Q130 Q154 I155 S156	T108-T132 PolarHBondContact O-N 2.81Å; Q130-T132 PolarHBondContact O-N 3.29Å; T132-Q154 HydrophobicContact CG2-CB 4.27Å; T132-I155 WeakPolarHBondContact O-CA 3.49Å; T132-S156 PolarHBondContact O-N 3.26Å; T132-S156 PolarHBondContact O-OG 3.15Å
133	E	96.9	Very high	96.1	Very high	88 Å²	88	41.6 Å²	41.6	41%	0.411	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	156	-178	63.4	175.6	-160.7	0	0	112.4	T135 S157	E133-T135 HydrophobicContact CG-CG2 4.42Å; E133-S157 WeakPolarHBondContact CA-O 3.36Å
134	M	97.4	Very high	95.9	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	110	168.3	-58.1	-172.4	61	0	0	109.7	I110 L139 I150 I155 S157 I158 S159 A162 F163 L174	I110-M134 HydrophobicContact CD1-CB 4.3Å; I110-M134 HydrophobicContact CD1-CE 3.63Å; I110-M134 HydrophobicContact CD1-CG 3.71Å; I110-M134 HydrophobicContact CD1-SD 4.22Å; M134-L139 HydrophobicContact CE-CD1 3.81Å; M134-I150 HydrophobicContact SD-CD1 4.25Å; M134-I155 HydrophobicContact CG-CD1 4.17Å; M134-I155 HydrophobicContact CG-CG2 4.34Å; M134-I155 HydrophobicContact SD-CD1 4.2Å; M134-S157 PolarHBondContact N-O 3.07Å; M134-I158 HydrophobicContact CB-CB 4.45Å; M134-I158 HydrophobicContact CB-CG1 4.19Å; M134-I158 HydrophobicContact CB-CG2 4.24Å; M134-I158 HydrophobicContact CG-CG1 4.19Å; M134-I158 HydrophobicContact SD-CD1 4.24Å; M134-I158 HydrophobicContact SD-CG1 4.13Å; M134-S159 WeakPolarHBondContact O-CB 3.38Å; M134-S159 PolarHBondContact O-N 2.91Å; M134-S159 PolarHBondContact O-OG 2.89Å; M134-A162 HydrophobicContact CB-CB 3.92Å; M134-F163 HydrophobicContact CE-CD1 4Å; M134-F163 HydrophobicContact CE-CE1 3.36Å; M134-F163 HydrophobicContact CE-CZ 3.84Å; M134-F163 HydrophobicContact SD-CE1 4.02Å; M134-F163 HydrophobicContact SD-CZ 3.93Å; M134-L174 HydrophobicContact SD-CD2 4.5Å
135	T	96.3	Very high	95.9	Very high	31 Å²	31	44.3 Å²	44.3	19%	0.19	23%	0.225	C	C	.	.			trans	-82	160.6	178.9	64.2	0	0	0	0	111.5	E133 Y137 C138 S159 A162	E133-T135 HydrophobicContact CG-CG2 4.42Å; T135-Y137 PolarHBondContact O-N 3.02Å; T135-C138 WeakPolarHBondContact O-CB 3.37Å; T135-C138 PolarHBondContact O-N 2.8Å; T135-C138 PolarHBondContact O-SG 3.49Å; T135-S159 WeakPolarHBondContact CA-OG 3.28Å; T135-A162 WeakPolarHBondContact O-CA 3.43Å
136	D	96.1	Very high	95.8	Very high	72 Å²	72	44.5 Å²	44.5	39%	0.385	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52	137.8	174.3	-71.7	-34.6	0	0	0	111.7	C138 S159 N161	D136-C138 PolarHBondContact O-N 3.37Å; D136-C138 VanDerWaalsContact O-N 3.1Å; D136-S159 WeakPolarHBondContact OD1-CB 3.38Å; D136-N161 HydrophobicContact CB-CB 4.23Å; D136-N161 WeakPolarHBondContact OD1-CA 3.28Å; D136-N161 WeakPolarHBondContact OD1-CB 3.35Å; D136-N161 PolarHBondContact OD1-N 2.86Å
137	Y	94.7	Very high	95.8	Very high	112 Å²	112	45.6 Å²	45.6	44%	0.439	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	15.9	175.9	-46.4	-72.1	0	0	0	116.1	T135 L139 Q140 N161	T135-Y137 PolarHBondContact O-N 3.02Å; Y137-L139 PolarHBondContact O-N 2.79Å; Y137-L139 VanDerWaalsContact O-N 3.11Å; Y137-Q140 WeakPolarHBondContact O-CB 3.34Å; Y137-Q140 PolarHBondContact O-N 2.75Å; Y137-N161 HydrophobicContact CD1-CB 4.48Å; Y137-N161 HydrophobicContact CE1-CB 3.93Å; Y137-N161 HydrophobicContact CE2-CB 4.39Å; Y137-N161 PolarHBondContact N-O 3.04Å
138	C	94.8	Very high	95.8	Very high	24 Å²	24	43.7 Å²	43.7	16%	0.162	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-17.3	-177.5	60.8	0	0	0	0	114.9	I110 T135 D136	I110-C138 HydrophobicContact CB-CB 4.3Å; I110-C138 HydrophobicContact CG2-CB 3.97Å; T135-C138 WeakPolarHBondContact O-CB 3.37Å; T135-C138 PolarHBondContact O-N 2.8Å; T135-C138 PolarHBondContact O-SG 3.49Å; D136-C138 PolarHBondContact O-N 3.37Å; D136-C138 VanDerWaalsContact O-N 3.1Å
139	L	94.4	Very high	95.9	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.01	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.5	19.9	179.5	-60.3	171.5	0	0	0	112.7	I110 L115 M134 Y137 D141 L142 L148 L166	I110-L139 HydrophobicContact CG2-CD2 3.62Å; I110-L139 HydrophobicContact CG2-CG 4.27Å; L115-L139 HydrophobicContact CD1-CD2 3.63Å; M134-L139 HydrophobicContact CE-CD1 3.81Å; Y137-L139 PolarHBondContact O-N 2.79Å; Y137-L139 VanDerWaalsContact O-N 3.11Å; L139-D141 VanDerWaalsContact C-N 3.28Å; L139-D141 PolarHBondContact O-N 2.76Å; L139-L142 HydrophobicContact CB-CD1 4.33Å; L139-L142 HydrophobicContact CD2-CD1 3.82Å; L139-L142 PolarHBondContact O-N 2.64Å; L139-L148 HydrophobicContact CD1-CD2 3.66Å; L139-L166 HydrophobicContact CB-CD1 4.18Å; L139-L166 HydrophobicContact CB-CD2 4.08Å; L139-L166 HydrophobicContact CB-CG 4.36Å; L139-L166 HydrophobicContact CD1-CD1 3.97Å; L139-L166 WeakPolarHBondContact O-CD2 3.45Å
140	Q	92.6	Very high	95.8	Very high	95 Å²	95	40.4 Å²	40.4	44%	0.444	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-32.4	-167.9	-176.8	172.5	29.5	0	0	114.8	Y137 L142 S164	Y137-Q140 WeakPolarHBondContact O-CB 3.34Å; Y137-Q140 PolarHBondContact O-N 2.75Å; Q140-L142 VanDerWaalsContact C-N 3.31Å; Q140-L142 PolarHBondContact O-N 2.97Å; Q140-S164 VanDerWaalsContact CA-O 3.32Å; Q140-S164 WeakPolarHBondContact CA-O 3.49Å
141	D	90.3	Very high	95.8	Very high	70 Å²	70	37.1 Å²	37.1	37%	0.374	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-14.7	-176.2	-63.4	-25.3	0	0	0	113.4	N117 L139 C143	N117-D141 PolarHBondContact N-OD2 2.8Å; L139-D141 VanDerWaalsContact C-N 3.28Å; L139-D141 PolarHBondContact O-N 2.76Å; D141-C143 PolarHBondContact O-N 2.8Å
142	L	93.6	Very high	95.8	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	21%	0.208	C	C	.	.			trans	-84.6	57.1	-174	-54	-178.3	0	0	0	112.3	L115 L118 L121 L124 L139 Q140 N144 L145 L166	L115-L142 HydrophobicContact CB-CD2 4.39Å; L115-L142 HydrophobicContact CD1-CD1 4.24Å; L118-L142 HydrophobicContact CB-CD2 3.81Å; L118-L142 WeakPolarHBondContact O-CD2 3.24Å; L121-L142 HydrophobicContact CB-CD2 4.38Å; L121-L142 HydrophobicContact CD2-CD1 4.45Å; L121-L142 HydrophobicContact CD2-CD2 4.09Å; L124-L142 HydrophobicContact CD2-CD1 4Å; L139-L142 HydrophobicContact CB-CD1 4.33Å; L139-L142 HydrophobicContact CD2-CD1 3.82Å; L139-L142 PolarHBondContact O-N 2.64Å; Q140-L142 VanDerWaalsContact C-N 3.31Å; Q140-L142 PolarHBondContact O-N 2.97Å; L142-N144 VanDerWaalsContact C-N 3.26Å; L142-N144 PolarHBondContact O-N 3.38Å; L142-L145 HydrophobicContact CB-CB 4.01Å; L142-L145 HydrophobicContact CB-CD2 4.4Å; L142-L145 HydrophobicContact CD1-CD2 4.06Å; L142-L145 VanDerWaalsContact O-CB 3.32Å; L142-L145 WeakPolarHBondContact O-CB 3.41Å; L142-L145 PolarHBondContact O-N 2.66Å; L142-L145 VanDerWaalsContact O-N 3.14Å; L142-L166 HydrophobicContact CB-CD2 3.82Å; L142-L166 WeakPolarHBondContact O-CD2 3.24Å
143	C	92.2	Very high	95.9	Very high	59 Å²	59	38.6 Å²	38.6	40%	0.399	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-23.8	-169	-63	0	0	0	0	114.3	D141 N168	D141-C143 PolarHBondContact O-N 2.8Å; C143-N168 PolarHBondContact O-ND2 2.99Å
144	N	94.5	Very high	95.9	Very high	59 Å²	59	39.2 Å²	39.2	32%	0.316	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	4.7	178.9	-69.1	-46.5	0	0	0	113.6	T119 L121 L142 Q146	T119-N144 WeakPolarHBondContact O-CB 3.43Å; T119-N144 PolarHBondContact O-ND2 2.87Å; L121-N144 CarbonylContact O-C 3.6Å; L121-N144 VanDerWaalsContact O-C 3.24Å; L142-N144 VanDerWaalsContact C-N 3.26Å; L142-N144 PolarHBondContact O-N 3.38Å; N144-Q146 PolarHBondContact O-N 2.8Å
145	L	96.6	Very high	96	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.195	C	C	.	.			trans	-63.9	131.2	-179.7	-162.7	74.1	0	0	0	110.2	L121 L124 L142 L148 L166 N168 L169	L121-L145 HydrophobicContact CD2-CD1 4.11Å; L121-L145 HydrophobicContact CG-CD1 4.11Å; L121-L145 VanDerWaalsContact O-CA 3.28Å; L121-L145 WeakPolarHBondContact O-CA 3.18Å; L121-L145 PolarHBondContact O-N 3.12Å; L121-L145 VanDerWaalsContact O-N 3.15Å; L124-L145 HydrophobicContact CB-CD1 3.84Å; L142-L145 HydrophobicContact CB-CB 4.01Å; L142-L145 HydrophobicContact CB-CD2 4.4Å; L142-L145 HydrophobicContact CD1-CD2 4.06Å; L142-L145 VanDerWaalsContact O-CB 3.32Å; L142-L145 WeakPolarHBondContact O-CB 3.41Å; L142-L145 PolarHBondContact O-N 2.66Å; L142-L145 VanDerWaalsContact O-N 3.14Å; L145-L148 HydrophobicContact CD2-CB 4.07Å; L145-L148 HydrophobicContact CD2-CD1 4.35Å; L145-L166 HydrophobicContact CB-CD2 4.16Å; L145-L166 HydrophobicContact CD2-CD1 4.5Å; L145-L166 HydrophobicContact CD2-CD2 4.08Å; L145-N168 CarbonylContact O-C 3.24Å; L145-L169 HydrophobicContact CD2-CD1 4.18Å; L145-L169 HydrophobicContact CG-CD1 4.24Å; L145-L169 WeakPolarHBondContact O-CA 2.96Å; L145-L169 PolarHBondContact O-N 2.93Å; L145-L169 VanDerWaalsContact O-N 3.15Å
146	Q	97	Very high	96	Very high	33 Å²	33	41 Å²	41	15%	0.154	21%	0.209	C	C	.	.			trans	-116.2	-32.8	-177.9	-69.6	167.8	19.2	0	0	111.1	P46 Q47 T122 N144 N168 L170 R171	P46-Q146 HydrophobicContact CB-CB 4.17Å; P46-Q146 VanDerWaalsContact CB-OE1 3.27Å; P46-Q146 HydrophobicContact CG-CB 4.11Å; P46-Q146 VanDerWaalsContact CG-OE1 3.28Å; Q47-Q146 VanDerWaalsContact NE2-CD 3.3Å; T122-Q146 PolarHBondContact O-N 2.82Å; N144-Q146 PolarHBondContact O-N 2.8Å; Q146-N168 HydrophobicContact CG-CB 4.48Å; Q146-L170 HydrophobicContact CB-CD1 4.38Å; Q146-L170 HydrophobicContact CB-CG 4.41Å; Q146-L170 HydrophobicContact CG-CD1 4.44Å; Q146-L170 WeakPolarHBondContact O-CA 3.41Å; Q146-L170 PolarHBondContact O-N 3.38Å; Q146-R171 PolarHBondContact O-N 2.9Å
147	E	98.1	Very high	96	Very high	23 Å²	23	40.1 Å²	40.1	11%	0.107	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	127.1	-179.3	-58.3	-178.4	153.1	0	0	110.3	P46 T122 T123 L124 Y149 R171	P46-E147 HydrophobicContact CB-CG 3.93Å; P46-E147 WeakPolarHBondContact CB-OE1 3.42Å; P46-E147 HydrophobicContact CG-CG 4.1Å; T122-E147 PolarHBondContact O-N 3.18Å; T123-E147 HydrophobicContact CG2-CB 4.12Å; T123-E147 PolarHBondContact OG1-OE2 3.44Å; L124-E147 PolarHBondContact N-O 3.48Å; L124-E147 VanDerWaalsContact N-O 3.07Å; E147-Y149 HydrophobicContact CB-CE2 3.81Å; E147-R171 HydrophobicContact CB-CB 4.5Å; E147-R171 HydrophobicContact CG-CB 4.13Å; E147-R171 HydrophobicContact CG-CG 4.25Å; E147-R171 WeakPolarHBondContact OE1-CD 3.27Å; E147-R171 IonicContact OE1-CZ 3.48Å; E147-R171 IonicContact OE1-NE 2.96Å; E147-R171 IonicContact OE1-NH1 3.87Å; E147-R171 PolarHBondContact OE1-NH1 2.85Å
148	L	98.1	Very high	96.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	117	176.1	178	59.4	0	0	0	110	L124 L139 L145 F163 L166 L169 R171 L172 H173	L124-L148 HydrophobicContact CB-CD1 4.19Å; L124-L148 HydrophobicContact CD2-CD1 3.94Å; L124-L148 HydrophobicContact CG-CD1 4.12Å; L139-L148 HydrophobicContact CD1-CD2 3.66Å; L145-L148 HydrophobicContact CD2-CB 4.07Å; L145-L148 HydrophobicContact CD2-CD1 4.35Å; L148-F163 HydrophobicContact CD2-CE1 4.19Å; L148-L166 HydrophobicContact CD2-CD1 4.44Å; L148-L169 HydrophobicContact CB-CD1 3.93Å; L148-R171 PolarHBondContact N-O 3.44Å; L148-L172 HydrophobicContact CB-CD1 4.14Å; L148-L172 HydrophobicContact CD2-CD1 3.88Å; L148-L172 HydrophobicContact CG-CD1 4.12Å; L148-H173 PolarHBondContact O-N 2.87Å
149	Y	98.5	Very high	96.3	Very high	41 Å²	41	36.2 Å²	36.2	16%	0.161	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	111	175.2	-57.4	-92.8	0	0	0	110.3	T123 L124 H125 L126 E127 E147 H173	T123-Y149 HydrophobicContact CG2-CE2 4.19Å; L124-Y149 PolarHBondContact O-N 2.84Å; H125-Y149 AromaticContact CE1-CD2 3.34Å; H125-Y149 WeakPolarHBondContact CE1-CD2 3.08Å; H125-Y149 AromaticContact CE1-CE2 3.43Å; H125-Y149 VanDerWaalsContact CE1-CE2 3.43Å; H125-Y149 WeakPolarHBondContact CE1-CE2 3.33Å; H125-Y149 AromaticContact ND1-CD2 3.3Å; H125-Y149 VanDerWaalsContact ND1-CD2 3.3Å; H125-Y149 WeakPolarHBondContact ND1-CD2 3.22Å; H125-Y149 AromaticContact ND1-CE2 3.89Å; H125-Y149 AromaticContact ND1-CG 3.67Å; L126-Y149 CarbonylContact C-O 3.53Å; L126-Y149 WeakPolarHBondContact CA-O 3.38Å; L126-Y149 WeakPolarHBondContact CB-O 3.43Å; L126-Y149 PolarHBondContact N-O 3.39Å; E127-Y149 PolarHBondContact N-O 3.17Å; E127-Y149 WeakPolarHBondContact OE1-CB 3.49Å; E147-Y149 HydrophobicContact CB-CE2 3.81Å; Y149-H173 HydrophobicContact CD1-CB 3.94Å; Y149-H173 AromaticContact CD1-CD2 3.63Å; Y149-H173 AromaticContact CD1-CG 3.56Å; Y149-H173 AromaticContact CD1-ND1 3.86Å; Y149-H173 AromaticContact CE1-CD2 3.48Å; Y149-H173 VanDerWaalsContact CE1-CD2 3.48Å; Y149-H173 WeakPolarHBondContact CE1-CD2 3.16Å; Y149-H173 AromaticContact CE1-CE1 3.61Å; Y149-H173 AromaticContact CE1-CG 3.78Å; Y149-H173 AromaticContact CE1-ND1 3.84Å; Y149-H173 AromaticContact CE1-NE2 3.41Å; Y149-H173 WeakPolarHBondContact CE1-NE2 3.25Å
150	I	97.4	Very high	96.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.207	C	C	.	.			trans	-136.8	24.4	179.5	-156.6	173.2	0	0	0	111.5	I110 L126 I131 M134 N153 I155 H173 L174 N177	I110-I150 HydrophobicContact CD1-CD1 3.94Å; I110-I150 HydrophobicContact CG1-CD1 4.29Å; L126-I150 HydrophobicContact CB-CG1 4.12Å; L126-I150 HydrophobicContact CD1-CD1 4.42Å; I131-I150 HydrophobicContact CD1-CD1 3.91Å; I131-I150 HydrophobicContact CD1-CG1 4.11Å; M134-I150 HydrophobicContact SD-CD1 4.25Å; I150-N153 PolarHBondContact O-ND2 3Å; I150-I155 HydrophobicContact CD1-CD1 3.7Å; I150-I155 HydrophobicContact CG1-CD1 3.82Å; I150-I155 HydrophobicContact CG2-CD1 4.15Å; I150-H173 CarbonylContact C-O 3.56Å; I150-H173 WeakPolarHBondContact CG2-O 3.48Å; I150-H173 PolarHBondContact N-O 3.38Å; I150-L174 HydrophobicContact CG2-CD2 3.49Å; I150-L174 VanDerWaalsContact CG2-CD2 3.49Å; I150-L174 HydrophobicContact CG2-CG 4.4Å; I150-N177 PolarHBondContact O-ND2 2.74Å; I150-N177 VanDerWaalsContact O-ND2 3.08Å
151	N	98	Very high	96.6	Very high	8 Å²	8	35.9 Å²	35.9	4%	0.043	20%	0.202	C	C	.	.			trans	-69.3	166.3	173.6	48.4	-73.1	0	0	0	112.5	E127 E128 N153 H173 N175	E127-N151 VanDerWaalsContact CA-O 3.22Å; E127-N151 WeakPolarHBondContact CA-O 3.32Å; E127-N151 WeakPolarHBondContact CB-O 3.17Å; E127-N151 VanDerWaalsContact OE2-CG 3.27Å; E127-N151 PolarHBondContact OE2-ND2 3.23Å; E127-N151 PolarHBondContact OE2-OD1 3.28Å; E128-N151 PolarHBondContact N-O 3.46Å; N151-N153 VanDerWaalsContact C-N 3.28Å; N151-N153 PolarHBondContact O-N 3.02Å; N151-N153 PolarHBondContact O-ND2 3.29Å; N151-H173 HydrophobicContact CB-CB 4.46Å; N151-H173 PolarHBondContact N-O 3.48Å; N151-H173 WeakPolarHBondContact OD1-CB 3.33Å; N151-N175 CarbonylContact C-O 3.58Å; N151-N175 WeakPolarHBondContact CA-O 3.34Å; N151-N175 HydrophobicContact CB-CB 4.48Å; N151-N175 VanDerWaalsContact CB-CG 3.5Å; N151-N175 WeakPolarHBondContact CB-O 3.29Å; N151-N175 VanDerWaalsContact CB-OD1 3.27Å; N151-N175 WeakPolarHBondContact CB-OD1 3.49Å
152	H	97.9	Very high	96.9	Very high	85 Å²	85	32.6 Å²	32.6	39%	0.394	18%	0.184	S	C	.	.	S	Bend	trans	52.9	42.9	-177.7	-59.5	110.9	0	0	0	113.5	E128 N175 S176	E128-H152 VanDerWaalsContact CA-O 3.3Å; E128-H152 WeakPolarHBondContact CA-O 3.26Å; E128-H152 HydrophobicContact CG-CB 3.73Å; E128-H152 PolarHBondContact N-O 2.96Å; H152-N175 PolarHBondContact N-O 2.92Å; H152-S176 WeakPolarHBondContact CA-O 3.28Å; H152-S176 WeakPolarHBondContact CD2-CB 3.29Å; H152-S176 PolarHBondContact N-O 3.14Å; H152-S176 PolarHBondContact NE2-OG 2.94Å
153	N	98.5	Very high	97	Very high	8 Å²	8	32.6 Å²	32.6	4%	0.043	18%	0.184	C	C	.	.	S	Bend	trans	-114.5	-167.2	174.6	-87.9	-87	0	0	0	110.1	L126 N129 Q130 I131 I150 N151 I155 N177	L126-N153 PolarHBondContact O-ND2 2.87Å; N129-N153 WeakPolarHBondContact CA-OD1 3.4Å; N129-N153 WeakPolarHBondContact CB-OD1 3.49Å; N129-N153 PolarHBondContact N-OD1 2.78Å; N129-N153 PolarHBondContact O-OD1 2.85Å; Q130-N153 PolarHBondContact N-OD1 2.98Å; I131-N153 HydrophobicContact CB-CB 4.34Å; I131-N153 WeakPolarHBondContact CB-OD1 3.43Å; I131-N153 WeakPolarHBondContact CG1-OD1 3.45Å; I131-N153 PolarHBondContact N-OD1 2.85Å; I150-N153 PolarHBondContact O-ND2 3Å; N151-N153 VanDerWaalsContact C-N 3.28Å; N151-N153 PolarHBondContact O-N 3.02Å; N151-N153 PolarHBondContact O-ND2 3.29Å; N153-I155 HydrophobicContact CB-CD1 4.33Å; N153-I155 HydrophobicContact CB-CG1 4.09Å; N153-N177 WeakPolarHBondContact CA-OD1 3.45Å; N153-N177 WeakPolarHBondContact CB-OD1 3.38Å; N153-N177 PolarHBondContact N-OD1 3.27Å; N153-N177 PolarHBondContact O-OD1 3.08Å
154	Q	97.8	Very high	97.2	Very high	100 Å²	100	30.9 Å²	30.9	47%	0.467	17%	0.173	S	C	.	.			trans	-111.8	26.1	179	-58.6	-173	33.8	0	0	112.1	I131 T132 S156	I131-Q154 CarbonylContact O-C 3.52Å; I131-Q154 VanDerWaalsContact O-CA 3.25Å; I131-Q154 WeakPolarHBondContact O-CA 3.12Å; I131-Q154 PolarHBondContact O-N 2.97Å; T132-Q154 HydrophobicContact CG2-CB 4.27Å; Q154-S156 PolarHBondContact O-N 2.92Å; Q154-S156 VanDerWaalsContact O-N 3.1Å
155	I	98.3	Very high	96.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.165	C	C	.	.			trans	-67.2	115.2	-170.9	-58.4	171.5	0	0	0	109.6	I131 T132 M134 I150 N153 I158 N177 K178 L179	I131-I155 HydrophobicContact CB-CG1 4.33Å; I131-I155 HydrophobicContact CG2-CD1 4.31Å; I131-I155 HydrophobicContact CG2-CG1 4.05Å; I131-I155 WeakPolarHBondContact O-CG1 3.4Å; I131-I155 PolarHBondContact O-N 2.87Å; T132-I155 WeakPolarHBondContact O-CA 3.49Å; M134-I155 HydrophobicContact CG-CD1 4.17Å; M134-I155 HydrophobicContact CG-CG2 4.34Å; M134-I155 HydrophobicContact SD-CD1 4.2Å; I150-I155 HydrophobicContact CD1-CD1 3.7Å; I150-I155 HydrophobicContact CG1-CD1 3.82Å; I150-I155 HydrophobicContact CG2-CD1 4.15Å; N153-I155 HydrophobicContact CB-CD1 4.33Å; N153-I155 HydrophobicContact CB-CG1 4.09Å; I155-I158 HydrophobicContact CG2-CD1 4.37Å; I155-I158 HydrophobicContact CG2-CG1 3.82Å; I155-N177 HydrophobicContact CB-CB 4.24Å; I155-N177 VanDerWaalsContact CB-OD1 3.31Å; I155-N177 WeakPolarHBondContact CB-OD1 3.36Å; I155-N177 WeakPolarHBondContact CG1-OD1 3.24Å; I155-N177 PolarHBondContact N-OD1 3.02Å; I155-K178 CarbonylContact O-C 3.51Å; I155-K178 VanDerWaalsContact O-CA 3.27Å; I155-K178 WeakPolarHBondContact O-CA 3.5Å; I155-K178 PolarHBondContact O-N 3.07Å; I155-L179 HydrophobicContact CG2-CD2 3.99Å; I155-L179 PolarHBondContact O-N 2.78Å
156	S	97	Very high	96.8	Very high	70 Å²	70	28.8 Å²	28.8	49%	0.49	17%	0.165	S	C	.	.			trans	-104.6	-22.1	-179.9	64.7	0	0	0	0	113.2	T132 Q154	T132-S156 PolarHBondContact O-N 3.26Å; T132-S156 PolarHBondContact O-OG 3.15Å; Q154-S156 PolarHBondContact O-N 2.92Å; Q154-S156 VanDerWaalsContact O-N 3.1Å
157	S	96.8	Very high	96.5	Very high	53 Å²	53	34.2 Å²	34.2	37%	0.371	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	137.1	179.2	54.4	0	0	0	0	112.5	E133 M134	E133-S157 WeakPolarHBondContact CA-O 3.36Å; M134-S157 PolarHBondContact N-O 3.07Å
158	I	97.8	Very high	96.4	Very high	14 Å²	14	36.3 Å²	36.3	7%	0.072	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	127.2	172.1	-61.7	171.8	0	0	0	107.5	M134 I155 A162 F163 L174 L179 W186	M134-I158 HydrophobicContact CB-CB 4.45Å; M134-I158 HydrophobicContact CB-CG1 4.19Å; M134-I158 HydrophobicContact CB-CG2 4.24Å; M134-I158 HydrophobicContact CG-CG1 4.19Å; M134-I158 HydrophobicContact SD-CD1 4.24Å; M134-I158 HydrophobicContact SD-CG1 4.13Å; I155-I158 HydrophobicContact CG2-CD1 4.37Å; I155-I158 HydrophobicContact CG2-CG1 3.82Å; I158-A162 HydrophobicContact CG2-CB 3.74Å; I158-F163 HydrophobicContact CD1-CZ 4.36Å; I158-F163 HydrophobicContact CG2-CD2 4.5Å; I158-F163 HydrophobicContact CG2-CE2 3.8Å; I158-F163 HydrophobicContact CG2-CZ 4.28Å; I158-L174 HydrophobicContact CD1-CD1 4.24Å; I158-L174 HydrophobicContact CD1-CD2 3.99Å; I158-L179 HydrophobicContact CD1-CD1 3.98Å; I158-L179 HydrophobicContact CD1-CD2 3.91Å; I158-L179 HydrophobicContact CG1-CD2 3.96Å; I158-W186 HydrophobicContact CB-CD2 4.19Å; I158-W186 HydrophobicContact CB-CH2 4.38Å; I158-W186 HydrophobicContact CB-CZ2 3.85Å; I158-W186 HydrophobicContact CD1-CE3 4.41Å; I158-W186 HydrophobicContact CD1-CH2 4.3Å; I158-W186 HydrophobicContact CD1-CZ3 4.22Å; I158-W186 HydrophobicContact CG2-CD2 4.08Å; I158-W186 HydrophobicContact CG2-CG 4Å; I158-W186 PolarHBondContact O-NE1 3.12Å
159	S	97	Very high	96.3	Very high	39 Å²	39	36.3 Å²	36.3	27%	0.273	20%	0.2	S	C	.	.			trans	-76.4	154.7	178.3	-50.8	0	0	0	0	111	M134 T135 D136 N161 A162	M134-S159 WeakPolarHBondContact O-CB 3.38Å; M134-S159 PolarHBondContact O-N 2.91Å; M134-S159 PolarHBondContact O-OG 2.89Å; T135-S159 WeakPolarHBondContact CA-OG 3.28Å; D136-S159 WeakPolarHBondContact OD1-CB 3.38Å; S159-N161 VanDerWaalsContact C-N 3.26Å; S159-N161 PolarHBondContact O-N 3.14Å; S159-A162 VanDerWaalsContact O-CB 3.28Å; S159-A162 WeakPolarHBondContact O-CB 3.32Å; S159-A162 PolarHBondContact O-N 3.36Å; S159-A162 VanDerWaalsContact O-N 3.1Å
160	A	96.1	Very high	96.2	Very high	29 Å²	29	35.8 Å²	35.8	24%	0.24	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-37	-173.6	0	0	0	0	0	113.3	R185	A160-R185 HydrophobicContact CB-CB 4.07Å
161	N	96.4	Very high	96.3	Very high	62 Å²	62	38.3 Å²	38.3	33%	0.332	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105	21.5	-178.5	-55.4	-64.1	0	0	0	112.6	D136 Y137 S159 F163 S164	D136-N161 HydrophobicContact CB-CB 4.23Å; D136-N161 WeakPolarHBondContact OD1-CA 3.28Å; D136-N161 WeakPolarHBondContact OD1-CB 3.35Å; D136-N161 PolarHBondContact OD1-N 2.86Å; Y137-N161 HydrophobicContact CD1-CB 4.48Å; Y137-N161 HydrophobicContact CE1-CB 3.93Å; Y137-N161 HydrophobicContact CE2-CB 4.39Å; Y137-N161 PolarHBondContact N-O 3.04Å; S159-N161 VanDerWaalsContact C-N 3.26Å; S159-N161 PolarHBondContact O-N 3.14Å; N161-F163 VanDerWaalsContact C-N 3.29Å; N161-F163 PolarHBondContact O-N 3.39Å; N161-S164 VanDerWaalsContact O-CB 3.24Å; N161-S164 WeakPolarHBondContact O-CB 3.37Å; N161-S164 PolarHBondContact O-N 2.67Å; N161-S164 VanDerWaalsContact O-N 3.15Å
162	A	97.2	Very high	96.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-37.9	-178.6	0	0	0	0	0	112.8	M134 T135 I158 S159 S164	M134-A162 HydrophobicContact CB-CB 3.92Å; T135-A162 WeakPolarHBondContact O-CA 3.43Å; I158-A162 HydrophobicContact CG2-CB 3.74Å; S159-A162 VanDerWaalsContact O-CB 3.28Å; S159-A162 WeakPolarHBondContact O-CB 3.32Å; S159-A162 PolarHBondContact O-N 3.36Å; S159-A162 VanDerWaalsContact O-N 3.1Å; A162-S164 VanDerWaalsContact C-N 3.34Å
163	F	96.4	Very high	96.3	Very high	1 Å²	1	35.2 Å²	35.2	0%	0.004	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	12.3	178.5	-55.8	-67.1	0	0	0	113.6	M134 L148 I158 N161 G165 L166 L172 L174 W186 T190	M134-F163 HydrophobicContact CE-CD1 4Å; M134-F163 HydrophobicContact CE-CE1 3.36Å; M134-F163 HydrophobicContact CE-CZ 3.84Å; M134-F163 HydrophobicContact SD-CE1 4.02Å; M134-F163 HydrophobicContact SD-CZ 3.93Å; L148-F163 HydrophobicContact CD2-CE1 4.19Å; I158-F163 HydrophobicContact CD1-CZ 4.36Å; I158-F163 HydrophobicContact CG2-CD2 4.5Å; I158-F163 HydrophobicContact CG2-CE2 3.8Å; I158-F163 HydrophobicContact CG2-CZ 4.28Å; N161-F163 VanDerWaalsContact C-N 3.29Å; N161-F163 PolarHBondContact O-N 3.39Å; F163-G165 PolarHBondContact O-N 2.92Å; F163-L166 HydrophobicContact CB-CD1 4.18Å; F163-L166 HydrophobicContact CD1-CD1 3.9Å; F163-L166 WeakPolarHBondContact O-CB 3.43Å; F163-L166 PolarHBondContact O-N 3.33Å; F163-L172 HydrophobicContact CE1-CD1 4.05Å; F163-L172 HydrophobicContact CE1-CD2 4.15Å; F163-L172 HydrophobicContact CE2-CD2 4.35Å; F163-L172 HydrophobicContact CZ-CD1 4.39Å; F163-L172 HydrophobicContact CZ-CD2 3.97Å; F163-L174 HydrophobicContact CZ-CD1 4.23Å; F163-L174 HydrophobicContact CZ-CD2 4.46Å; F163-W186 HydrophobicContact CD2-CB 4.1Å; F163-W186 WeakPolarHBondContact CD2-O 3.26Å; F163-W186 HydrophobicContact CE2-CB 4.1Å; F163-T190 HydrophobicContact CB-CG2 3.88Å
164	S	94.9	Very high	96.3	Very high	24 Å²	24	34.8 Å²	34.8	17%	0.168	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	132.7	177.3	-164.7	0	0	0	0	110.3	Q140 N161 A162	Q140-S164 VanDerWaalsContact CA-O 3.32Å; Q140-S164 WeakPolarHBondContact CA-O 3.49Å; N161-S164 VanDerWaalsContact O-CB 3.24Å; N161-S164 WeakPolarHBondContact O-CB 3.37Å; N161-S164 PolarHBondContact O-N 2.67Å; N161-S164 VanDerWaalsContact O-N 3.15Å; A162-S164 VanDerWaalsContact C-N 3.34Å
165	G	89.8	Confident	96.2	Very high	15 Å²	15	31 Å²	31	16%	0.155	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	102.8	-23.7	-174.7	0	0	0	0	0	114.2	F163 K167	F163-G165 PolarHBondContact O-N 2.92Å; G165-K167 VanDerWaalsContact C-N 3.27Å; G165-K167 PolarHBondContact O-N 2.61Å
166	L	94.4	Very high	96.2	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.181	C	C	.	.			trans	-84.3	54	-174.5	-53.8	-175.4	0	0	0	113.7	L139 L142 L145 L148 F163 N168 L169 T190	L139-L166 HydrophobicContact CB-CD1 4.18Å; L139-L166 HydrophobicContact CB-CD2 4.08Å; L139-L166 HydrophobicContact CB-CG 4.36Å; L139-L166 HydrophobicContact CD1-CD1 3.97Å; L139-L166 WeakPolarHBondContact O-CD2 3.45Å; L142-L166 HydrophobicContact CB-CD2 3.82Å; L142-L166 WeakPolarHBondContact O-CD2 3.24Å; L145-L166 HydrophobicContact CB-CD2 4.16Å; L145-L166 HydrophobicContact CD2-CD1 4.5Å; L145-L166 HydrophobicContact CD2-CD2 4.08Å; L148-L166 HydrophobicContact CD2-CD1 4.44Å; F163-L166 HydrophobicContact CB-CD1 4.18Å; F163-L166 HydrophobicContact CD1-CD1 3.9Å; F163-L166 WeakPolarHBondContact O-CB 3.43Å; F163-L166 PolarHBondContact O-N 3.33Å; L166-N168 PolarHBondContact O-N 2.92Å; L166-L169 HydrophobicContact CB-CB 4.14Å; L166-L169 HydrophobicContact CB-CD2 4.49Å; L166-L169 HydrophobicContact CD1-CD2 4.2Å; L166-L169 WeakPolarHBondContact O-CB 3.44Å; L166-L169 PolarHBondContact O-N 2.01Å; L166-T190 HydrophobicContact CB-CG2 4.31Å
167	K	90.6	Very high	96.3	Very high	147 Å²	147	28.6 Å²	28.6	64%	0.639	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-23.2	-173	-63.4	-178.8	-177.4	176.8	0	114.3	G165 N192	G165-K167 VanDerWaalsContact C-N 3.27Å; G165-K167 PolarHBondContact O-N 2.61Å; K167-N192 PolarHBondContact O-ND2 2.74Å
168	N	94.5	Very high	96.3	Very high	67 Å²	67	32 Å²	32	36%	0.358	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	6.9	-178	-67	-47.2	0	0	0	113.1	C143 L145 Q146 L166 L170	C143-N168 PolarHBondContact O-ND2 2.99Å; L145-N168 CarbonylContact O-C 3.24Å; Q146-N168 HydrophobicContact CG-CB 4.48Å; L166-N168 PolarHBondContact O-N 2.92Å; N168-L170 WeakPolarHBondContact O-CG 3.48Å; N168-L170 PolarHBondContact O-N 3.36Å
169	L	96.8	Very high	96.3	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.163	C	C	.	.			trans	-66.2	124.6	-177.1	-163.6	72.1	0	0	0	110.6	L145 L148 L166 L172 T190 N192 L193	L145-L169 HydrophobicContact CD2-CD1 4.18Å; L145-L169 HydrophobicContact CG-CD1 4.24Å; L145-L169 WeakPolarHBondContact O-CA 2.96Å; L145-L169 PolarHBondContact O-N 2.93Å; L145-L169 VanDerWaalsContact O-N 3.15Å; L148-L169 HydrophobicContact CB-CD1 3.93Å; L166-L169 HydrophobicContact CB-CB 4.14Å; L166-L169 HydrophobicContact CB-CD2 4.49Å; L166-L169 HydrophobicContact CD1-CD2 4.2Å; L166-L169 WeakPolarHBondContact O-CB 3.44Å; L166-L169 PolarHBondContact O-N 2.01Å; L169-L172 HydrophobicContact CD2-CB 4.17Å; L169-L172 HydrophobicContact CD2-CD1 4.4Å; L169-L172 HydrophobicContact CD2-CD2 4.4Å; L169-T190 HydrophobicContact CB-CG2 4.43Å; L169-T190 HydrophobicContact CD2-CG2 4.11Å; L169-N192 CarbonylContact O-C 3.52Å; L169-L193 HydrophobicContact CD2-CD1 4.07Å; L169-L193 HydrophobicContact CG-CD1 4Å; L169-L193 WeakPolarHBondContact O-CA 3.46Å; L169-L193 PolarHBondContact O-N 2.93Å
170	L	97.1	Very high	96.2	Very high	30 Å²	30	35.9 Å²	35.9	16%	0.157	18%	0.178	C	C	.	.			trans	-108.5	-36.3	-179.4	-58.5	179	0	0	0	111.5	Q146 N168 N192 E194 I195	Q146-L170 HydrophobicContact CB-CD1 4.38Å; Q146-L170 HydrophobicContact CB-CG 4.41Å; Q146-L170 HydrophobicContact CG-CD1 4.44Å; Q146-L170 WeakPolarHBondContact O-CA 3.41Å; Q146-L170 PolarHBondContact O-N 3.38Å; N168-L170 WeakPolarHBondContact O-CG 3.48Å; N168-L170 PolarHBondContact O-N 3.36Å; L170-N192 WeakPolarHBondContact CD2-O 3.16Å; L170-E194 HydrophobicContact CD2-CG 4.29Å; L170-E194 PolarHBondContact O-N 3.15Å; L170-I195 PolarHBondContact O-N 2.81Å
171	R	98.1	Very high	96.1	Very high	52 Å²	52	38.1 Å²	38.1	20%	0.196	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	128.5	-176.8	-53.3	-172.5	173.1	87.9	7.2	110.9	P46 Q146 E147 L148 I195	P46-R171 PolarHBondContact O-NH1 2.89Å; Q146-R171 PolarHBondContact O-N 2.9Å; E147-R171 HydrophobicContact CB-CB 4.5Å; E147-R171 HydrophobicContact CG-CB 4.13Å; E147-R171 HydrophobicContact CG-CG 4.25Å; E147-R171 WeakPolarHBondContact OE1-CD 3.27Å; E147-R171 IonicContact OE1-CZ 3.48Å; E147-R171 IonicContact OE1-NE 2.96Å; E147-R171 IonicContact OE1-NH1 3.87Å; E147-R171 PolarHBondContact OE1-NH1 2.85Å; L148-R171 PolarHBondContact N-O 3.44Å; R171-I195 WeakPolarHBondContact CA-O 3.42Å; R171-I195 HydrophobicContact CB-CB 4.45Å; R171-I195 HydrophobicContact CG-CB 4.15Å; R171-I195 HydrophobicContact CG-CD1 4.18Å; R171-I195 HydrophobicContact CG-CG1 4.33Å
172	L	98.3	Very high	96.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	117.2	179	178.7	57.4	0	0	0	110.4	L148 F163 L169 L174 F187 L193 I195 L196 M197	L148-L172 HydrophobicContact CB-CD1 4.14Å; L148-L172 HydrophobicContact CD2-CD1 3.88Å; L148-L172 HydrophobicContact CG-CD1 4.12Å; F163-L172 HydrophobicContact CE1-CD1 4.05Å; F163-L172 HydrophobicContact CE1-CD2 4.15Å; F163-L172 HydrophobicContact CE2-CD2 4.35Å; F163-L172 HydrophobicContact CZ-CD1 4.39Å; F163-L172 HydrophobicContact CZ-CD2 3.97Å; L169-L172 HydrophobicContact CD2-CB 4.17Å; L169-L172 HydrophobicContact CD2-CD1 4.4Å; L169-L172 HydrophobicContact CD2-CD2 4.4Å; L172-L174 HydrophobicContact CD1-CD1 4.36Å; L172-L174 HydrophobicContact CD1-CG 4.08Å; L172-L174 HydrophobicContact CD2-CD1 3.83Å; L172-L174 HydrophobicContact CD2-CG 4.42Å; L172-L174 HydrophobicContact CG-CD1 3.96Å; L172-L174 HydrophobicContact CG-CG 4.02Å; L172-F187 HydrophobicContact CD2-CE1 4.39Å; L172-L193 HydrophobicContact CB-CD1 3.72Å; L172-L193 HydrophobicContact CB-CD2 4.2Å; L172-L193 HydrophobicContact CD2-CD2 4.48Å; L172-I195 PolarHBondContact N-O 3.43Å; L172-L196 HydrophobicContact CB-CD1 4.19Å; L172-L196 HydrophobicContact CD2-CD1 4.06Å; L172-L196 HydrophobicContact CG-CD1 4.11Å; L172-M197 PolarHBondContact O-N 3.33Å
173	H	98.4	Very high	96	Very high	28 Å²	28	37 Å²	37	13%	0.13	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	109.6	178.6	-64.8	-120.8	0	0	0	110.1	L148 Y149 I150 N151 M197	L148-H173 PolarHBondContact O-N 2.87Å; Y149-H173 HydrophobicContact CD1-CB 3.94Å; Y149-H173 AromaticContact CD1-CD2 3.63Å; Y149-H173 AromaticContact CD1-CG 3.56Å; Y149-H173 AromaticContact CD1-ND1 3.86Å; Y149-H173 AromaticContact CE1-CD2 3.48Å; Y149-H173 VanDerWaalsContact CE1-CD2 3.48Å; Y149-H173 WeakPolarHBondContact CE1-CD2 3.16Å; Y149-H173 AromaticContact CE1-CE1 3.61Å; Y149-H173 AromaticContact CE1-CG 3.78Å; Y149-H173 AromaticContact CE1-ND1 3.84Å; Y149-H173 AromaticContact CE1-NE2 3.41Å; Y149-H173 WeakPolarHBondContact CE1-NE2 3.25Å; I150-H173 CarbonylContact C-O 3.56Å; I150-H173 WeakPolarHBondContact CG2-O 3.48Å; I150-H173 PolarHBondContact N-O 3.38Å; N151-H173 HydrophobicContact CB-CB 4.46Å; N151-H173 PolarHBondContact N-O 3.48Å; N151-H173 WeakPolarHBondContact OD1-CB 3.33Å; H173-M197 PolarHBondContact CE1-SD 3.01Å; H173-M197 PolarHBondContact ND1-SD 2.86Å; H173-M197 VanDerWaalsContact ND1-SD 3.36Å
174	L	97.6	Very high	96	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.196	C	C	.	.			trans	-118.9	7.3	-179.7	-74.4	168.2	0	0	0	112.3	M134 I150 I158 F163 L172 N177 L196 M197 I198 N201	M134-L174 HydrophobicContact SD-CD2 4.5Å; I150-L174 HydrophobicContact CG2-CD2 3.49Å; I150-L174 VanDerWaalsContact CG2-CD2 3.49Å; I150-L174 HydrophobicContact CG2-CG 4.4Å; I158-L174 HydrophobicContact CD1-CD1 4.24Å; I158-L174 HydrophobicContact CD1-CD2 3.99Å; F163-L174 HydrophobicContact CZ-CD1 4.23Å; F163-L174 HydrophobicContact CZ-CD2 4.46Å; L172-L174 HydrophobicContact CD1-CD1 4.36Å; L172-L174 HydrophobicContact CD1-CG 4.08Å; L172-L174 HydrophobicContact CD2-CD1 3.83Å; L172-L174 HydrophobicContact CD2-CG 4.42Å; L172-L174 HydrophobicContact CG-CD1 3.96Å; L172-L174 HydrophobicContact CG-CG 4.02Å; L174-N177 PolarHBondContact O-ND2 3.44Å; L174-L196 HydrophobicContact CD1-CD1 4.47Å; L174-M197 CarbonylContact C-O 3.55Å; L174-M197 WeakPolarHBondContact CA-O 3.46Å; L174-M197 PolarHBondContact N-O 3.18Å; L174-I198 HydrophobicContact CB-CG1 4.2Å; L174-I198 HydrophobicContact CD1-CD1 4.28Å; L174-N201 PolarHBondContact O-ND2 3.3Å
175	N	97.3	Very high	96	Very high	20 Å²	20	44.2 Å²	44.2	11%	0.107	21%	0.213	C	C	.	.			trans	-64.2	156	-174.8	60.5	-82.4	0	0	0	113	N151 H152 N177 M197 G199	N151-N175 CarbonylContact C-O 3.58Å; N151-N175 WeakPolarHBondContact CA-O 3.34Å; N151-N175 HydrophobicContact CB-CB 4.48Å; N151-N175 VanDerWaalsContact CB-CG 3.5Å; N151-N175 WeakPolarHBondContact CB-O 3.29Å; N151-N175 VanDerWaalsContact CB-OD1 3.27Å; N151-N175 WeakPolarHBondContact CB-OD1 3.49Å; H152-N175 PolarHBondContact N-O 2.92Å; N175-N177 PolarHBondContact O-N 2.7Å; N175-N177 PolarHBondContact O-ND2 2.8Å; N175-M197 PolarHBondContact N-O 2.85Å; N175-G199 CarbonylContact C-O 3.31Å; N175-G199 WeakPolarHBondContact CA-O 3.46Å; N175-G199 WeakPolarHBondContact CB-O 3.03Å
176	S	97.6	Very high	96.3	Very high	17 Å²	17	44.2 Å²	44.2	12%	0.119	21%	0.208	C	C	.	.	S	Bend	trans	59.5	48.5	174.8	-41.2	0	0	0	0	112.4	H152 G199 E200	H152-S176 WeakPolarHBondContact CA-O 3.28Å; H152-S176 WeakPolarHBondContact CD2-CB 3.29Å; H152-S176 PolarHBondContact N-O 3.14Å; H152-S176 PolarHBondContact NE2-OG 2.94Å; S176-G199 PolarHBondContact N-O 2.64Å; S176-E200 WeakPolarHBondContact CA-O 3.42Å; S176-E200 WeakPolarHBondContact OG-CB 3.24Å; S176-E200 PolarHBondContact OG-OE2 3Å
177	N	98.3	Very high	96.3	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.011	21%	0.208	C	C	.	.	S	Bend	trans	-115.9	-161.2	174.9	-88.1	-70.9	0	0	0	110.2	I150 N153 I155 L174 N175 L179 N201	I150-N177 PolarHBondContact O-ND2 2.74Å; I150-N177 VanDerWaalsContact O-ND2 3.08Å; N153-N177 WeakPolarHBondContact CA-OD1 3.45Å; N153-N177 WeakPolarHBondContact CB-OD1 3.38Å; N153-N177 PolarHBondContact N-OD1 3.27Å; N153-N177 PolarHBondContact O-OD1 3.08Å; I155-N177 HydrophobicContact CB-CB 4.24Å; I155-N177 VanDerWaalsContact CB-OD1 3.31Å; I155-N177 WeakPolarHBondContact CB-OD1 3.36Å; I155-N177 WeakPolarHBondContact CG1-OD1 3.24Å; I155-N177 PolarHBondContact N-OD1 3.02Å; L174-N177 PolarHBondContact O-ND2 3.44Å; N175-N177 PolarHBondContact O-N 2.7Å; N175-N177 PolarHBondContact O-ND2 2.8Å; N177-L179 HydrophobicContact CB-CG 4.49Å; N177-N201 VanDerWaalsContact CA-OD1 3.26Å; N177-N201 WeakPolarHBondContact CA-OD1 3.35Å; N177-N201 WeakPolarHBondContact CB-OD1 3.35Å; N177-N201 PolarHBondContact N-OD1 3.05Å; N177-N201 PolarHBondContact O-OD1 3.29Å
178	K	97.5	Very high	96.5	Very high	124 Å²	124	41.9 Å²	41.9	54%	0.539	20%	0.203	S	C	.	.			trans	-118.4	25.7	-178.2	-57.9	-61.7	176.5	-163.7	0	112.9	I155 N201	I155-K178 CarbonylContact O-C 3.51Å; I155-K178 VanDerWaalsContact O-CA 3.27Å; I155-K178 WeakPolarHBondContact O-CA 3.5Å; I155-K178 PolarHBondContact O-N 3.07Å; K178-N201 PolarHBondContact N-OD1 2.91Å
179	L	97.1	Very high	96.5	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	20%	0.197	C	C	.	.			trans	-68.4	132.4	-179.2	-58.8	172.7	0	0	0	110.9	I155 I158 N177 W186 I198 N201 P202 V203	I155-L179 HydrophobicContact CG2-CD2 3.99Å; I155-L179 PolarHBondContact O-N 2.78Å; I158-L179 HydrophobicContact CD1-CD1 3.98Å; I158-L179 HydrophobicContact CD1-CD2 3.91Å; I158-L179 HydrophobicContact CG1-CD2 3.96Å; N177-L179 HydrophobicContact CB-CG 4.49Å; L179-W186 HydrophobicContact CD1-CH2 4.34Å; L179-W186 HydrophobicContact CD1-CZ3 4.33Å; L179-W186 HydrophobicContact CD2-CH2 4.25Å; L179-I198 HydrophobicContact CD1-CD1 4.2Å; L179-I198 HydrophobicContact CD1-CG1 4.28Å; L179-N201 HydrophobicContact CB-CB 4.07Å; L179-N201 WeakPolarHBondContact CB-OD1 3.26Å; L179-N201 WeakPolarHBondContact CG-OD1 3.46Å; L179-N201 PolarHBondContact N-OD1 3.47Å; L179-P202 CarbonylContact O-C 3.47Å; L179-P202 VanDerWaalsContact O-CD 3.27Å; L179-P202 WeakPolarHBondContact O-CD 3.29Å; L179-V203 WeakPolarHBondContact O-CG2 3.45Å; L179-V203 PolarHBondContact O-N 3.17Å
180	K	95.1	Very high	96.4	Very high	135 Å²	135	40.3 Å²	40.3	59%	0.587	20%	0.197	S	C	*	.	S	Bend	trans	-101.5	-18.7	178.8	-65.3	-176.9	-179.9	178	0	114.1	V203 I204	K180-V203 WeakPolarHBondContact O-CA 3.32Å; K180-I204 PolarHBondContact O-N 3.29Å
181	V	94.7	Very high	96.1	Very high	76 Å²	76	41.4 Å²	41.4	46%	0.461	21%	0.206	S	C	.	.			trans	-141	152.8	-177.4	179.3	0	0	0	0	106.8	W186	V181-W186 WeakPolarHBondContact O-CH2 3.42Å
182	I	95.7	Very high	95.9	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.01	21%	0.214	C	C	.	.			trans	-110.5	120.9	165.7	-55	173.4	0	0	0	106.6	W186 F187 I198 V203 N210 F211 M225	I182-W186 HydrophobicContact CB-CZ3 4.25Å; I182-W186 HydrophobicContact CG2-CE3 4.14Å; I182-W186 HydrophobicContact CG2-CZ3 3.91Å; I182-F187 HydrophobicContact CG2-CE2 3.87Å; I182-F187 HydrophobicContact CG2-CZ 4.23Å; I182-I198 HydrophobicContact CD1-CD1 3.99Å; I182-I198 HydrophobicContact CD1-CG1 4.5Å; I182-I198 HydrophobicContact CD1-CG2 4.15Å; I182-I198 HydrophobicContact CG1-CD1 3.88Å; I182-I198 HydrophobicContact CG2-CD1 4.13Å; I182-V203 HydrophobicContact CD1-CG2 4.48Å; I182-V203 HydrophobicContact CG1-CG1 4.28Å; I182-V203 HydrophobicContact CG1-CG2 4.05Å; I182-N210 VanDerWaalsContact CB-ND2 3.27Å; I182-N210 WeakPolarHBondContact CB-ND2 3.03Å; I182-N210 WeakPolarHBondContact CG2-ND2 2.99Å; I182-N210 PolarHBondContact O-ND2 3.5Å; I182-N210 VanDerWaalsContact O-ND2 3.12Å; I182-N210 PolarHBondContact O-OD1 2.97Å; I182-F211 HydrophobicContact CD1-CE1 4.4Å; I182-F211 HydrophobicContact CD1-CZ 4.04Å; I182-F211 HydrophobicContact CG2-CE1 4.12Å; I182-M225 HydrophobicContact CD1-CE 3.87Å
183	D	95.4	Very high	95.8	Very high	37 Å²	37	42.1 Å²	42.1	20%	0.198	21%	0.214	C	C	.	.			trans	-99.6	129.3	178.5	-166.1	-41.1	0	0	0	110	R185 W186	D183-R185 PolarHBondContact O-N 3.02Å; D183-R185 VanDerWaalsContact OD1-CB 3.31Å; D183-R185 WeakPolarHBondContact OD1-CB 3.48Å; D183-R185 WeakPolarHBondContact OD1-CG 3Å; D183-R185 IonicContact OD1-CZ 3.81Å; D183-R185 PolarHBondContact OD1-N 3.24Å; D183-R185 IonicContact OD1-NE 3.94Å; D183-R185 PolarHBondContact OD1-NE 2.92Å; D183-R185 IonicContact OD1-NH2 3.99Å; D183-R185 IonicContact OD2-CZ 3.43Å; D183-R185 VanDerWaalsContact OD2-CZ 3.3Å; D183-R185 IonicContact OD2-NE 3.96Å; D183-R185 PolarHBondContact OD2-NE 3.19Å; D183-R185 VanDerWaalsContact OD2-NE 3.16Å; D183-R185 IonicContact OD2-NH2 3.42Å; D183-R185 PolarHBondContact OD2-NH2 2.85Å; D183-W186 HydrophobicContact CB-CD2 3.92Å; D183-W186 VanDerWaalsContact CB-CE2 3.48Å; D183-W186 HydrophobicContact CB-CG 4.18Å; D183-W186 HydrophobicContact CB-CZ2 3.92Å; D183-W186 WeakPolarHBondContact O-CB 3.3Å; D183-W186 VanDerWaalsContact O-CG 3.28Å; D183-W186 PolarHBondContact O-N 3.22Å
184	S	95.8	Very high	95.8	Very high	41 Å²	41	43.4 Å²	43.4	29%	0.287	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-60.3	-29.9	179.9	66.2	0	0	0	0	112.7	W186 F187 N210	S184-W186 PolarHBondContact O-N 3.32Å; S184-F187 PolarHBondContact O-N 3.06Å; S184-F187 VanDerWaalsContact O-N 3.11Å; S184-N210 VanDerWaalsContact CA-O 3.3Å; S184-N210 WeakPolarHBondContact CA-O 3.48Å; S184-N210 WeakPolarHBondContact CB-O 3.21Å
185	R	95.9	Very high	95.8	Very high	135 Å²	135	45.3 Å²	45.3	51%	0.509	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-64.5	-24.1	-175.5	-66.5	175	-71.2	177.9	-1.3	113.4	A160 D183 F187 D188	A160-R185 HydrophobicContact CB-CB 4.07Å; D183-R185 PolarHBondContact O-N 3.02Å; D183-R185 VanDerWaalsContact OD1-CB 3.31Å; D183-R185 WeakPolarHBondContact OD1-CB 3.48Å; D183-R185 WeakPolarHBondContact OD1-CG 3Å; D183-R185 IonicContact OD1-CZ 3.81Å; D183-R185 PolarHBondContact OD1-N 3.24Å; D183-R185 IonicContact OD1-NE 3.94Å; D183-R185 PolarHBondContact OD1-NE 2.92Å; D183-R185 IonicContact OD1-NH2 3.99Å; D183-R185 IonicContact OD2-CZ 3.43Å; D183-R185 VanDerWaalsContact OD2-CZ 3.3Å; D183-R185 IonicContact OD2-NE 3.96Å; D183-R185 PolarHBondContact OD2-NE 3.19Å; D183-R185 VanDerWaalsContact OD2-NE 3.16Å; D183-R185 IonicContact OD2-NH2 3.42Å; D183-R185 PolarHBondContact OD2-NH2 2.85Å; R185-F187 PolarHBondContact O-N 2.9Å; R185-D188 PolarHBondContact O-N 2.91Å
186	W	95.8	Very high	95.9	Very high	14 Å²	14	44.4 Å²	44.4	5%	0.053	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-55.8	-33.9	174.9	-58.1	-21.2	0	0	0	112	I158 F163 L179 V181 I182 D183 S184 I198	I158-W186 HydrophobicContact CB-CD2 4.19Å; I158-W186 HydrophobicContact CB-CH2 4.38Å; I158-W186 HydrophobicContact CB-CZ2 3.85Å; I158-W186 HydrophobicContact CD1-CE3 4.41Å; I158-W186 HydrophobicContact CD1-CH2 4.3Å; I158-W186 HydrophobicContact CD1-CZ3 4.22Å; I158-W186 HydrophobicContact CG2-CD2 4.08Å; I158-W186 HydrophobicContact CG2-CG 4Å; I158-W186 PolarHBondContact O-NE1 3.12Å; F163-W186 HydrophobicContact CD2-CB 4.1Å; F163-W186 WeakPolarHBondContact CD2-O 3.26Å; F163-W186 HydrophobicContact CE2-CB 4.1Å; L179-W186 HydrophobicContact CD1-CH2 4.34Å; L179-W186 HydrophobicContact CD1-CZ3 4.33Å; L179-W186 HydrophobicContact CD2-CH2 4.25Å; V181-W186 WeakPolarHBondContact O-CH2 3.42Å; I182-W186 HydrophobicContact CB-CZ3 4.25Å; I182-W186 HydrophobicContact CG2-CE3 4.14Å; I182-W186 HydrophobicContact CG2-CZ3 3.91Å; D183-W186 HydrophobicContact CB-CD2 3.92Å; D183-W186 VanDerWaalsContact CB-CE2 3.48Å; D183-W186 HydrophobicContact CB-CG 4.18Å; D183-W186 HydrophobicContact CB-CZ2 3.92Å; D183-W186 WeakPolarHBondContact O-CB 3.3Å; D183-W186 VanDerWaalsContact O-CG 3.28Å; D183-W186 PolarHBondContact O-N 3.22Å; S184-W186 PolarHBondContact O-N 3.32Å; W186-I198 HydrophobicContact CZ3-CD1 4.22Å
187	F	95.6	Very high	95.9	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-94.3	-2.8	-171.3	-53.9	-58.5	0	0	0	113.8	L172 I182 S184 R185 S189 T190 L196 F211 P213 L214	L172-F187 HydrophobicContact CD2-CE1 4.39Å; I182-F187 HydrophobicContact CG2-CE2 3.87Å; I182-F187 HydrophobicContact CG2-CZ 4.23Å; S184-F187 PolarHBondContact O-N 3.06Å; S184-F187 VanDerWaalsContact O-N 3.11Å; R185-F187 PolarHBondContact O-N 2.9Å; F187-S189 PolarHBondContact O-N 3.02Å; F187-S189 VanDerWaalsContact O-N 3.17Å; F187-T190 WeakPolarHBondContact CA-OG1 3.4Å; F187-T190 PolarHBondContact O-N 2.51Å; F187-T190 PolarHBondContact O-OG1 3.43Å; F187-L196 HydrophobicContact CE1-CD1 4.2Å; F187-L196 HydrophobicContact CE1-CD2 3.88Å; F187-L196 HydrophobicContact CE2-CD2 4.48Å; F187-L196 HydrophobicContact CZ-CD2 3.73Å; F187-F211 HydrophobicContact CE2-CD1 4.29Å; F187-F211 HydrophobicContact CE2-CE1 4.5Å; F187-P213 HydrophobicContact CB-CB 4.08Å; F187-P213 HydrophobicContact CB-CG 4.35Å; F187-L214 HydrophobicContact CB-CD1 4.32Å; F187-L214 HydrophobicContact CB-CD2 3.65Å; F187-L214 HydrophobicContact CB-CG 3.85Å; F187-L214 HydrophobicContact CD1-CD1 4.08Å; F187-L214 HydrophobicContact CD1-CD2 4.04Å; F187-L214 HydrophobicContact CD1-CG 4.41Å; F187-L214 HydrophobicContact CD2-CD1 4.06Å; F187-L214 HydrophobicContact CD2-CG 4.42Å; F187-L214 HydrophobicContact CE1-CD1 4.44Å; F187-L214 HydrophobicContact CE2-CD1 4.42Å; F187-L214 HydrophobicContact CG-CD1 3.87Å; F187-L214 HydrophobicContact CG-CD2 3.94Å; F187-L214 HydrophobicContact CG-CG 3.98Å
188	D	94.3	Very high	95.8	Very high	99 Å²	99	46.1 Å²	46.1	53%	0.529	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-29.2	-177.8	-72.5	-17.1	0	0	0	112.3	R185 P213	R185-D188 PolarHBondContact O-N 2.91Å; D188-P213 VanDerWaalsContact OD1-CG 3.3Å; D188-P213 WeakPolarHBondContact OD1-CG 3.31Å
189	S	93.2	Very high	95.8	Very high	34 Å²	34	40.4 Å²	40.4	24%	0.238	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-2.6	179.3	-64.9	0	0	0	0	114.3	F187 P191	F187-S189 PolarHBondContact O-N 3.02Å; F187-S189 VanDerWaalsContact O-N 3.17Å; S189-P191 WeakPolarHBondContact O-CD 3.4Å
190	T	94.8	Very high	95.8	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.231	C	C	.	.			trans	-124.5	56.8	-174.9	61.6	0	0	0	0	112.6	F163 L166 L169 F187 N192 L193	F163-T190 HydrophobicContact CB-CG2 3.88Å; L166-T190 HydrophobicContact CB-CG2 4.31Å; L169-T190 HydrophobicContact CB-CG2 4.43Å; L169-T190 HydrophobicContact CD2-CG2 4.11Å; F187-T190 WeakPolarHBondContact CA-OG1 3.4Å; F187-T190 PolarHBondContact O-N 2.51Å; F187-T190 PolarHBondContact O-OG1 3.43Å; T190-N192 VanDerWaalsContact C-N 3.25Å; T190-N192 PolarHBondContact O-N 3.48Å; T190-L193 WeakPolarHBondContact O-CB 3.42Å; T190-L193 PolarHBondContact O-N 3.24Å
191	P	91	Very high	95.9	Very high	52 Å²	52	39.2 Å²	39.2	34%	0.338	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-16.2	-175.3	31	-37.5	0	0	0	114	S189 L193 N216	S189-P191 WeakPolarHBondContact O-CD 3.4Å; P191-L193 VanDerWaalsContact C-N 3.32Å; P191-N216 PolarHBondContact O-ND2 3.28Å
192	N	94.4	Very high	95.9	Very high	68 Å²	68	38.6 Å²	38.6	36%	0.364	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	2.8	-179.7	-65.5	-39	0	0	0	113.3	K167 L169 L170 T190 E194	K167-N192 PolarHBondContact O-ND2 2.74Å; L169-N192 CarbonylContact O-C 3.52Å; L170-N192 WeakPolarHBondContact CD2-O 3.16Å; T190-N192 VanDerWaalsContact C-N 3.25Å; T190-N192 PolarHBondContact O-N 3.48Å; N192-E194 PolarHBondContact O-N 3.27Å
193	L	97.1	Very high	95.9	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.202	C	C	.	.			trans	-62.3	126.6	-177.8	-166.2	73.6	0	0	0	110.2	L169 L172 T190 P191 L196 L214 N216 L217	L169-L193 HydrophobicContact CD2-CD1 4.07Å; L169-L193 HydrophobicContact CG-CD1 4Å; L169-L193 WeakPolarHBondContact O-CA 3.46Å; L169-L193 PolarHBondContact O-N 2.93Å; L172-L193 HydrophobicContact CB-CD1 3.72Å; L172-L193 HydrophobicContact CB-CD2 4.2Å; L172-L193 HydrophobicContact CD2-CD2 4.48Å; T190-L193 WeakPolarHBondContact O-CB 3.42Å; T190-L193 PolarHBondContact O-N 3.24Å; P191-L193 VanDerWaalsContact C-N 3.32Å; L193-L196 HydrophobicContact CD2-CB 4Å; L193-L196 HydrophobicContact CD2-CD1 4.28Å; L193-L214 HydrophobicContact CB-CD2 3.94Å; L193-L214 HydrophobicContact CD2-CD2 3.88Å; L193-N216 CarbonylContact O-C 3.45Å; L193-L217 HydrophobicContact CB-CD1 4.45Å; L193-L217 HydrophobicContact CD2-CD1 4.15Å; L193-L217 HydrophobicContact CG-CD1 4.12Å; L193-L217 VanDerWaalsContact O-CA 3.24Å; L193-L217 WeakPolarHBondContact O-CA 3.47Å; L193-L217 PolarHBondContact O-N 3.05Å
194	E	97.1	Very high	95.7	Very high	54 Å²	54	44 Å²	44	25%	0.252	23%	0.229	S	C	.	.			trans	-102.8	-32.7	-179.9	-61.9	-164.2	145.3	0	0	112	L170 N192 R218 S219	L170-E194 HydrophobicContact CD2-CG 4.29Å; L170-E194 PolarHBondContact O-N 3.15Å; N192-E194 PolarHBondContact O-N 3.27Å; E194-R218 HydrophobicContact CB-CG 4.48Å; E194-R218 WeakPolarHBondContact O-CA 3.44Å; E194-R218 PolarHBondContact O-N 3.3Å; E194-R218 IonicContact OE1-NE 3.33Å; E194-R218 PolarHBondContact OE1-NE 3.05Å; E194-S219 PolarHBondContact O-N 2.83Å
195	I	98.3	Very high	95.5	Very high	41 Å²	41	43.6 Å²	43.6	21%	0.21	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	124.6	-177.4	-53.8	-176.1	0	0	0	109.9	L170 R171 L172 M197 S219	L170-I195 PolarHBondContact O-N 2.81Å; R171-I195 WeakPolarHBondContact CA-O 3.42Å; R171-I195 HydrophobicContact CB-CB 4.45Å; R171-I195 HydrophobicContact CG-CB 4.15Å; R171-I195 HydrophobicContact CG-CD1 4.18Å; R171-I195 HydrophobicContact CG-CG1 4.33Å; L172-I195 PolarHBondContact N-O 3.43Å; I195-M197 HydrophobicContact CG2-CG 4.27Å; I195-S219 WeakPolarHBondContact CA-O 3.35Å
196	L	98.4	Very high	95.5	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	118.5	173.4	177.9	59.5	0	0	0	110.1	L172 L174 F187 L193 F211 L214 L217 S219 L220 V221	L172-L196 HydrophobicContact CB-CD1 4.19Å; L172-L196 HydrophobicContact CD2-CD1 4.06Å; L172-L196 HydrophobicContact CG-CD1 4.11Å; L174-L196 HydrophobicContact CD1-CD1 4.47Å; F187-L196 HydrophobicContact CE1-CD1 4.2Å; F187-L196 HydrophobicContact CE1-CD2 3.88Å; F187-L196 HydrophobicContact CE2-CD2 4.48Å; F187-L196 HydrophobicContact CZ-CD2 3.73Å; L193-L196 HydrophobicContact CD2-CB 4Å; L193-L196 HydrophobicContact CD2-CD1 4.28Å; L196-F211 HydrophobicContact CD2-CD1 4.32Å; L196-F211 HydrophobicContact CD2-CE1 4.21Å; L196-L214 HydrophobicContact CD2-CD1 3.86Å; L196-L217 HydrophobicContact CB-CD1 3.84Å; L196-L217 HydrophobicContact CB-CD2 4.38Å; L196-S219 PolarHBondContact N-O 3.31Å; L196-L220 HydrophobicContact CB-CD1 4.11Å; L196-L220 HydrophobicContact CD2-CD1 3.92Å; L196-L220 HydrophobicContact CG-CD1 4.09Å; L196-V221 PolarHBondContact O-N 3.39Å
197	M	98.3	Very high	95.4	Very high	56 Å²	56	42.3 Å²	42.3	28%	0.276	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	109.2	171.8	-60	-172.2	73	0	0	109	L172 H173 L174 N175 I195 V221	L172-M197 PolarHBondContact O-N 3.33Å; H173-M197 PolarHBondContact CE1-SD 3.01Å; H173-M197 PolarHBondContact ND1-SD 2.86Å; H173-M197 VanDerWaalsContact ND1-SD 3.36Å; L174-M197 CarbonylContact C-O 3.55Å; L174-M197 WeakPolarHBondContact CA-O 3.46Å; L174-M197 PolarHBondContact N-O 3.18Å; N175-M197 PolarHBondContact N-O 2.85Å; I195-M197 HydrophobicContact CG2-CG 4.27Å; M197-V221 HydrophobicContact CB-CB 4.46Å; M197-V221 HydrophobicContact CE-CB 4.43Å; M197-V221 HydrophobicContact CE-CG1 4.29Å; M197-V221 HydrophobicContact CE-CG2 4.3Å; M197-V221 HydrophobicContact CG-CB 4.14Å; M197-V221 HydrophobicContact CG-CG2 4.09Å
198	I	96.9	Very high	95.5	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.254	C	S	.	.			trans	-126.4	9.7	-178.2	-164.6	162.1	0	0	0	112.4	L174 L179 I182 W186 N201 V221 L222 M225	L174-I198 HydrophobicContact CB-CG1 4.2Å; L174-I198 HydrophobicContact CD1-CD1 4.28Å; L179-I198 HydrophobicContact CD1-CD1 4.2Å; L179-I198 HydrophobicContact CD1-CG1 4.28Å; I182-I198 HydrophobicContact CD1-CD1 3.99Å; I182-I198 HydrophobicContact CD1-CG1 4.5Å; I182-I198 HydrophobicContact CD1-CG2 4.15Å; I182-I198 HydrophobicContact CG1-CD1 3.88Å; I182-I198 HydrophobicContact CG2-CD1 4.13Å; W186-I198 HydrophobicContact CZ3-CD1 4.22Å; I198-N201 PolarHBondContact O-ND2 2.93Å; I198-V221 PolarHBondContact N-O 3.43Å; I198-L222 HydrophobicContact CG2-CD2 3.49Å; I198-L222 VanDerWaalsContact CG2-CD2 3.49Å; I198-M225 HydrophobicContact CG2-SD 4.37Å
199	G	96.6	Very high	95.5	Very high	3 Å²	3	45.7 Å²	45.7	3%	0.031	25%	0.251	C	S	.	.			trans	-57.1	172	179.2	0	0	0	0	0	114.8	N175 S176 N201 V221 A223	N175-G199 CarbonylContact C-O 3.31Å; N175-G199 WeakPolarHBondContact CA-O 3.46Å; N175-G199 WeakPolarHBondContact CB-O 3.03Å; S176-G199 PolarHBondContact N-O 2.64Å; G199-N201 PolarHBondContact O-N 3.39Å; G199-N201 VanDerWaalsContact O-N 3.08Å; G199-N201 PolarHBondContact O-ND2 3.16Å; G199-N201 VanDerWaalsContact O-ND2 3.15Å; G199-V221 PolarHBondContact N-O 2.92Å; G199-A223 CarbonylContact C-O 3.55Å; G199-A223 VanDerWaalsContact C-O 3.28Å; G199-A223 WeakPolarHBondContact CA-O 3.24Å
200	E	96.9	Very high	95.6	Very high	111 Å²	111	44.4 Å²	44.4	52%	0.519	24%	0.241	S	C	.	.	S	Bend	trans	55.5	28.7	178.2	-62.6	176.8	-133	0	0	113.6	S176 A223 G224	S176-E200 WeakPolarHBondContact CA-O 3.42Å; S176-E200 WeakPolarHBondContact OG-CB 3.24Å; S176-E200 PolarHBondContact OG-OE2 3Å; E200-A223 PolarHBondContact N-O 3.33Å; E200-G224 WeakPolarHBondContact CA-O 3.4Å
201	N	97.1	Very high	95.7	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	24%	0.241	C	C	.	.			trans	-106.2	138.5	169.8	-80.6	-79.6	0	0	0	109.3	L174 N177 K178 L179 I198 G199 V203 M225	L174-N201 PolarHBondContact O-ND2 3.3Å; N177-N201 VanDerWaalsContact CA-OD1 3.26Å; N177-N201 WeakPolarHBondContact CA-OD1 3.35Å; N177-N201 WeakPolarHBondContact CB-OD1 3.35Å; N177-N201 PolarHBondContact N-OD1 3.05Å; N177-N201 PolarHBondContact O-OD1 3.29Å; K178-N201 PolarHBondContact N-OD1 2.91Å; L179-N201 HydrophobicContact CB-CB 4.07Å; L179-N201 WeakPolarHBondContact CB-OD1 3.26Å; L179-N201 WeakPolarHBondContact CG-OD1 3.46Å; L179-N201 PolarHBondContact N-OD1 3.47Å; I198-N201 PolarHBondContact O-ND2 2.93Å; G199-N201 PolarHBondContact O-N 3.39Å; G199-N201 VanDerWaalsContact O-N 3.08Å; G199-N201 PolarHBondContact O-ND2 3.16Å; G199-N201 VanDerWaalsContact O-ND2 3.15Å; N201-V203 HydrophobicContact CB-CG2 3.95Å; N201-V203 PolarHBondContact O-N 3.49Å; N201-M225 HydrophobicContact CB-CE 4.34Å
202	P	95.3	Very high	96	Very high	62 Å²	62	47.8 Å²	47.8	40%	0.403	25%	0.25	S	S	.	.			trans	-76.5	56.9	-179.9	34.6	-37.9	0	0	0	111.8	L179	L179-P202 CarbonylContact O-C 3.47Å; L179-P202 VanDerWaalsContact O-CD 3.27Å; L179-P202 WeakPolarHBondContact O-CD 3.29Å
203	V	95.1	Very high	96	Very high	6 Å²	6	46 Å²	46	4%	0.036	24%	0.243	C	C	.	.			trans	-73.6	129.3	-178.2	173.8	0	0	0	0	109.7	L179 K180 I182 N201 G205 M225	L179-V203 WeakPolarHBondContact O-CG2 3.45Å; L179-V203 PolarHBondContact O-N 3.17Å; K180-V203 WeakPolarHBondContact O-CA 3.32Å; I182-V203 HydrophobicContact CD1-CG2 4.48Å; I182-V203 HydrophobicContact CG1-CG1 4.28Å; I182-V203 HydrophobicContact CG1-CG2 4.05Å; N201-V203 HydrophobicContact CB-CG2 3.95Å; N201-V203 PolarHBondContact O-N 3.49Å; V203-G205 VanDerWaalsContact C-N 3.26Å; V203-G205 WeakPolarHBondContact CG1-O 3.37Å; V203-G205 PolarHBondContact O-N 2.96Å; V203-M225 HydrophobicContact CB-CE 3.54Å; V203-M225 HydrophobicContact CG1-CE 4.22Å; V203-M225 HydrophobicContact CG2-CE 3.26Å
204	I	91.4	Very high	96	Very high	148 Å²	148	46 Å²	46	76%	0.759	24%	0.243	S	C	*	.			trans	-67.5	-32.2	-176.9	-62.5	170.7	0	0	0	111.1	K180	K180-I204 PolarHBondContact O-N 3.29Å
205	G	91.5	Very high	95.9	Very high	31 Å²	31	45.8 Å²	45.8	32%	0.32	25%	0.247	S	C	.	.			trans	175.2	169.9	176.9	0	0	0	0	0	111.3	V203	V203-G205 VanDerWaalsContact C-N 3.26Å; V203-G205 WeakPolarHBondContact CG1-O 3.37Å; V203-G205 PolarHBondContact O-N 2.96Å
206	I	95.6	Very high	95.8	Very high	10 Å²	10	46.9 Å²	46.9	5%	0.051	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-100.9	144	175.2	-61.9	171.5	0	0	0	108.1	N210 F211 L222 L227 I230 P231 A234	I206-N210 HydrophobicContact CG2-CB 3.93Å; I206-F211 HydrophobicContact CD1-CE2 4.45Å; I206-F211 HydrophobicContact CG2-CE2 3.99Å; I206-L222 HydrophobicContact CD1-CD1 3.71Å; I206-L222 HydrophobicContact CD1-CD2 4.44Å; I206-L227 HydrophobicContact CD1-CD1 3.74Å; I206-L227 HydrophobicContact CD1-CD2 4.19Å; I206-L227 HydrophobicContact CG1-CD1 4.49Å; I206-L227 HydrophobicContact CG1-CD2 4.04Å; I206-I230 HydrophobicContact CD1-CD1 4.04Å; I206-P231 WeakPolarHBondContact O-CD 3.49Å; I206-P231 WeakPolarHBondContact O-CG 3.15Å; I206-A234 HydrophobicContact CG2-CB 3.82Å
207	L	95.2	Very high	95.7	Very high	112 Å²	112	46.9 Å²	46.9	59%	0.586	25%	0.253	S	S	*	.	P	Polyproline II helix	trans	-96.6	166.6	177.1	-60.2	177.1	0	0	0	111.4	N210 A234	L207-N210 WeakPolarHBondContact O-CB 3.48Å; L207-A234 WeakPolarHBondContact O-CA 3.37Å
208	D	96.5	Very high	95.7	Very high	79 Å²	79	49.7 Å²	49.7	42%	0.422	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	141.6	171.2	-79.4	-32.4	0	0	0	111.1	N210 P231 N233	D208-N210 PolarHBondContact O-N 2.88Å; D208-N210 VanDerWaalsContact O-N 3.15Å; D208-P231 WeakPolarHBondContact OD1-CB 3.25Å; D208-N233 HydrophobicContact CB-CB 4.11Å; D208-N233 WeakPolarHBondContact OD1-CA 3.49Å; D208-N233 WeakPolarHBondContact OD1-CB 3.29Å; D208-N233 PolarHBondContact OD1-N 2.76Å; D208-N233 VanDerWaalsContact OD1-N 3.15Å
209	M	95.8	Very high	95.8	Very high	92 Å²	92	50.9 Å²	50.9	45%	0.453	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.2	21.9	178.5	-58.2	171.6	-76.2	0	0	114.7	F211 K212 N233 V236	M209-F211 PolarHBondContact O-N 2.85Å; M209-F211 VanDerWaalsContact O-N 3.14Å; M209-K212 HydrophobicContact CB-CB 4.15Å; M209-K212 HydrophobicContact CB-CD 4.31Å; M209-K212 WeakPolarHBondContact O-CB 3.41Å; M209-K212 PolarHBondContact O-N 3.18Å; M209-K212 VanDerWaalsContact O-N 3.09Å; M209-K212 HydrophobicContact SD-CD 4.49Å; M209-N233 PolarHBondContact N-O 3.2Å; M209-V236 HydrophobicContact CG-CB 4.21Å; M209-V236 HydrophobicContact CG-CG1 4.32Å
210	N	95.1	Very high	95.9	Very high	7 Å²	7	50.7 Å²	50.7	4%	0.037	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-28.3	-172.2	-152.5	77.1	0	0	0	113.9	I182 S184 I206 L207 D208	I182-N210 VanDerWaalsContact CB-ND2 3.27Å; I182-N210 WeakPolarHBondContact CB-ND2 3.03Å; I182-N210 WeakPolarHBondContact CG2-ND2 2.99Å; I182-N210 PolarHBondContact O-ND2 3.5Å; I182-N210 VanDerWaalsContact O-ND2 3.12Å; I182-N210 PolarHBondContact O-OD1 2.97Å; S184-N210 VanDerWaalsContact CA-O 3.3Å; S184-N210 WeakPolarHBondContact CA-O 3.48Å; S184-N210 WeakPolarHBondContact CB-O 3.21Å; I206-N210 HydrophobicContact CG2-CB 3.93Å; L207-N210 WeakPolarHBondContact O-CB 3.48Å; D208-N210 PolarHBondContact O-N 2.88Å; D208-N210 VanDerWaalsContact O-N 3.15Å
211	F	96.8	Very high	96	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.2	13.8	-179.6	-54.4	-73.3	0	0	0	113.4	I182 F187 L196 I206 M209 P213 L214 L220 L222 L235 L238	I182-F211 HydrophobicContact CD1-CE1 4.4Å; I182-F211 HydrophobicContact CD1-CZ 4.04Å; I182-F211 HydrophobicContact CG2-CE1 4.12Å; F187-F211 HydrophobicContact CE2-CD1 4.29Å; F187-F211 HydrophobicContact CE2-CE1 4.5Å; L196-F211 HydrophobicContact CD2-CD1 4.32Å; L196-F211 HydrophobicContact CD2-CE1 4.21Å; I206-F211 HydrophobicContact CD1-CE2 4.45Å; I206-F211 HydrophobicContact CG2-CE2 3.99Å; M209-F211 PolarHBondContact O-N 2.85Å; M209-F211 VanDerWaalsContact O-N 3.14Å; F211-P213 VanDerWaalsContact C-N 3.33Å; F211-L214 HydrophobicContact CB-CD1 4.31Å; F211-L214 HydrophobicContact CD1-CD1 4.11Å; F211-L214 WeakPolarHBondContact O-CB 3.02Å; F211-L214 PolarHBondContact O-N 2.74Å; F211-L220 HydrophobicContact CD2-CD2 4.2Å; F211-L220 HydrophobicContact CE1-CD1 4.32Å; F211-L220 HydrophobicContact CE2-CD2 4.14Å; F211-L220 HydrophobicContact CG-CD2 4.44Å; F211-L220 HydrophobicContact CZ-CD2 4.34Å; F211-L222 HydrophobicContact CE2-CD1 4.47Å; F211-L222 HydrophobicContact CZ-CD2 4.01Å; F211-L235 HydrophobicContact CD2-CD2 4.34Å; F211-L238 HydrophobicContact CB-CD1 3.97Å; F211-L238 HydrophobicContact CB-CD2 3.77Å; F211-L238 HydrophobicContact CB-CG 3.98Å; F211-L238 HydrophobicContact CD2-CD1 4.39Å; F211-L238 HydrophobicContact CG-CD1 4.41Å
212	K	96.2	Very high	96	Very high	122 Å²	122	46.7 Å²	46.7	53%	0.53	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-36.3	-175	-178.9	179.8	178.4	-177.4	0	115.5	M209 L214 V236	M209-K212 HydrophobicContact CB-CB 4.15Å; M209-K212 HydrophobicContact CB-CD 4.31Å; M209-K212 WeakPolarHBondContact O-CB 3.41Å; M209-K212 PolarHBondContact O-N 3.18Å; M209-K212 VanDerWaalsContact O-N 3.09Å; M209-K212 HydrophobicContact SD-CD 4.49Å; K212-L214 PolarHBondContact O-N 3.09Å; K212-V236 WeakPolarHBondContact CA-O 3.26Å
213	P	95.8	Very high	96.1	Very high	32 Å²	32	44.5 Å²	44.5	21%	0.208	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-16.3	177.8	-23.7	36	0	0	0	114.8	F187 D188 F211 S215	F187-P213 HydrophobicContact CB-CB 4.08Å; F187-P213 HydrophobicContact CB-CG 4.35Å; D188-P213 VanDerWaalsContact OD1-CG 3.3Å; D188-P213 WeakPolarHBondContact OD1-CG 3.31Å; F211-P213 VanDerWaalsContact C-N 3.33Å; P213-S215 PolarHBondContact O-N 3.08Å
214	L	96.2	Very high	96.1	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.242	C	C	.	.			trans	-93	57.8	-168.7	-61.5	176.6	0	0	0	112.9	F187 L193 L196 F211 K212 N216 L217 L238	F187-L214 HydrophobicContact CB-CD1 4.32Å; F187-L214 HydrophobicContact CB-CD2 3.65Å; F187-L214 HydrophobicContact CB-CG 3.85Å; F187-L214 HydrophobicContact CD1-CD1 4.08Å; F187-L214 HydrophobicContact CD1-CD2 4.04Å; F187-L214 HydrophobicContact CD1-CG 4.41Å; F187-L214 HydrophobicContact CD2-CD1 4.06Å; F187-L214 HydrophobicContact CD2-CG 4.42Å; F187-L214 HydrophobicContact CE1-CD1 4.44Å; F187-L214 HydrophobicContact CE2-CD1 4.42Å; F187-L214 HydrophobicContact CG-CD1 3.87Å; F187-L214 HydrophobicContact CG-CD2 3.94Å; F187-L214 HydrophobicContact CG-CG 3.98Å; L193-L214 HydrophobicContact CB-CD2 3.94Å; L193-L214 HydrophobicContact CD2-CD2 3.88Å; L196-L214 HydrophobicContact CD2-CD1 3.86Å; F211-L214 HydrophobicContact CB-CD1 4.31Å; F211-L214 HydrophobicContact CD1-CD1 4.11Å; F211-L214 WeakPolarHBondContact O-CB 3.02Å; F211-L214 PolarHBondContact O-N 2.74Å; K212-L214 PolarHBondContact O-N 3.09Å; L214-N216 VanDerWaalsContact C-N 3.27Å; L214-N216 PolarHBondContact O-N 3.29Å; L214-L217 HydrophobicContact CB-CB 4.04Å; L214-L217 HydrophobicContact CB-CD2 4.38Å; L214-L217 HydrophobicContact CD1-CD2 4.1Å; L214-L217 VanDerWaalsContact O-CB 3.31Å; L214-L217 WeakPolarHBondContact O-CB 3.39Å; L214-L217 PolarHBondContact O-N 3Å; L214-L238 HydrophobicContact CB-CD2 3.95Å; L214-L238 WeakPolarHBondContact O-CD2 3.36Å
215	S	94.5	Very high	96.3	Very high	49 Å²	49	37.7 Å²	37.7	34%	0.343	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-23.3	-173.8	60.9	0	0	0	0	115.4	P213 G237 S240	P213-S215 PolarHBondContact O-N 3.08Å; S215-G237 WeakPolarHBondContact CA-O 3.37Å; S215-S240 WeakPolarHBondContact O-CB 3.18Å; S215-S240 PolarHBondContact O-OG 2.03Å
216	N	96.2	Very high	96.5	Very high	64 Å²	64	44 Å²	44	34%	0.342	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	3.1	179.1	-65.4	-46.7	0	0	0	113.3	P191 L193 L214 R218	P191-N216 PolarHBondContact O-ND2 3.28Å; L193-N216 CarbonylContact O-C 3.45Å; L214-N216 VanDerWaalsContact C-N 3.27Å; L214-N216 PolarHBondContact O-N 3.29Å; N216-R218 PolarHBondContact O-N 2.01Å
217	L	97.9	Very high	96.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.219	C	C	.	.			trans	-65.2	125.4	-177.3	-160.5	73.9	0	0	0	110.2	L193 L196 L214 L220 L238 S240 L241	L193-L217 HydrophobicContact CB-CD1 4.45Å; L193-L217 HydrophobicContact CD2-CD1 4.15Å; L193-L217 HydrophobicContact CG-CD1 4.12Å; L193-L217 VanDerWaalsContact O-CA 3.24Å; L193-L217 WeakPolarHBondContact O-CA 3.47Å; L193-L217 PolarHBondContact O-N 3.05Å; L196-L217 HydrophobicContact CB-CD1 3.84Å; L196-L217 HydrophobicContact CB-CD2 4.38Å; L214-L217 HydrophobicContact CB-CB 4.04Å; L214-L217 HydrophobicContact CB-CD2 4.38Å; L214-L217 HydrophobicContact CD1-CD2 4.1Å; L214-L217 VanDerWaalsContact O-CB 3.31Å; L214-L217 WeakPolarHBondContact O-CB 3.39Å; L214-L217 PolarHBondContact O-N 3Å; L217-L220 HydrophobicContact CD2-CB 3.89Å; L217-L220 HydrophobicContact CD2-CD1 4.19Å; L217-L220 HydrophobicContact CD2-CD2 4.46Å; L217-L220 HydrophobicContact CD2-CG 4.4Å; L217-L238 HydrophobicContact CB-CD2 3.97Å; L217-L238 HydrophobicContact CD2-CD2 3.71Å; L217-L238 HydrophobicContact CG-CD2 4.49Å; L217-S240 CarbonylContact O-C 3.59Å; L217-L241 HydrophobicContact CB-CD1 4.49Å; L217-L241 HydrophobicContact CD2-CD1 4.14Å; L217-L241 HydrophobicContact CG-CD1 4.24Å; L217-L241 WeakPolarHBondContact O-CA 3.28Å; L217-L241 PolarHBondContact O-N 2.73Å; L217-L241 VanDerWaalsContact O-N 3.15Å
218	R	97.9	Very high	96.5	Very high	114 Å²	114	43 Å²	43	43%	0.43	22%	0.22	S	C	.	.			trans	-101.5	-33.8	178.4	-64.6	177.2	179.7	-98	0.8	111.8	E194 N216 E242 S243	E194-R218 HydrophobicContact CB-CG 4.48Å; E194-R218 WeakPolarHBondContact O-CA 3.44Å; E194-R218 PolarHBondContact O-N 3.3Å; E194-R218 IonicContact OE1-NE 3.33Å; E194-R218 PolarHBondContact OE1-NE 3.05Å; N216-R218 PolarHBondContact O-N 2.01Å; R218-E242 IonicContact NH1-OE1 3.99Å; R218-E242 WeakPolarHBondContact O-CA 3.41Å; R218-E242 PolarHBondContact O-N 3.25Å; R218-S243 PolarHBondContact O-N 2.9Å
219	S	98.5	Very high	96.5	Very high	25 Å²	25	42.5 Å²	42.5	18%	0.175	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	125.3	-176.4	-171	0	0	0	0	111.4	E194 I195 L196 S243	E194-S219 PolarHBondContact O-N 2.83Å; I195-S219 WeakPolarHBondContact CA-O 3.35Å; L196-S219 PolarHBondContact N-O 3.31Å; S219-S243 WeakPolarHBondContact CA-O 3.46Å
220	L	98.6	Very high	96.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	121.1	176.8	178.7	58.4	0	0	0	110.1	L196 F211 L217 L222 L235 L238 L241 S243 L244 S245	L196-L220 HydrophobicContact CB-CD1 4.11Å; L196-L220 HydrophobicContact CD2-CD1 3.92Å; L196-L220 HydrophobicContact CG-CD1 4.09Å; F211-L220 HydrophobicContact CD2-CD2 4.2Å; F211-L220 HydrophobicContact CE1-CD1 4.32Å; F211-L220 HydrophobicContact CE2-CD2 4.14Å; F211-L220 HydrophobicContact CG-CD2 4.44Å; F211-L220 HydrophobicContact CZ-CD2 4.34Å; L217-L220 HydrophobicContact CD2-CB 3.89Å; L217-L220 HydrophobicContact CD2-CD1 4.19Å; L217-L220 HydrophobicContact CD2-CD2 4.46Å; L217-L220 HydrophobicContact CD2-CG 4.4Å; L220-L222 HydrophobicContact CD1-CD2 4.08Å; L220-L222 HydrophobicContact CD1-CG 4.25Å; L220-L222 HydrophobicContact CD2-CD1 4.06Å; L220-L222 HydrophobicContact CD2-CG 4.33Å; L220-L222 HydrophobicContact CG-CD1 4.27Å; L220-L222 HydrophobicContact CG-CD2 4.37Å; L220-L222 HydrophobicContact CG-CG 4.01Å; L220-L235 HydrophobicContact CD2-CD2 4.26Å; L220-L238 HydrophobicContact CD2-CD1 3.81Å; L220-L241 HydrophobicContact CB-CD1 3.84Å; L220-S243 PolarHBondContact N-O 3.4Å; L220-L244 HydrophobicContact CB-CD1 4.02Å; L220-L244 HydrophobicContact CD2-CD1 4.02Å; L220-L244 HydrophobicContact CG-CD1 4.04Å; L220-L244 WeakPolarHBondContact O-CA 3.46Å; L220-S245 PolarHBondContact O-N 3.41Å; L220-S245 VanDerWaalsContact O-N 3.07Å
221	V	98.4	Very high	96.6	Very high	28 Å²	28	40.1 Å²	40.1	17%	0.17	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	108.7	180	-176.2	0	0	0	0	110.1	L196 M197 I198 G199 A223	L196-V221 PolarHBondContact O-N 3.39Å; M197-V221 HydrophobicContact CB-CB 4.46Å; M197-V221 HydrophobicContact CE-CB 4.43Å; M197-V221 HydrophobicContact CE-CG1 4.29Å; M197-V221 HydrophobicContact CE-CG2 4.3Å; M197-V221 HydrophobicContact CG-CB 4.14Å; M197-V221 HydrophobicContact CG-CG2 4.09Å; I198-V221 PolarHBondContact N-O 3.43Å; G199-V221 PolarHBondContact N-O 2.92Å; V221-A223 HydrophobicContact CG1-CB 3.87Å
222	L	97.4	Very high	96.6	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.218	C	C	.	.			trans	-110.7	41.5	178	-59.8	173.6	0	0	0	110.7	I198 I206 F211 L220 M225 L227 S245 F246 N249	I198-L222 HydrophobicContact CG2-CD2 3.49Å; I198-L222 VanDerWaalsContact CG2-CD2 3.49Å; I206-L222 HydrophobicContact CD1-CD1 3.71Å; I206-L222 HydrophobicContact CD1-CD2 4.44Å; F211-L222 HydrophobicContact CE2-CD1 4.47Å; F211-L222 HydrophobicContact CZ-CD2 4.01Å; L220-L222 HydrophobicContact CD1-CD2 4.08Å; L220-L222 HydrophobicContact CD1-CG 4.25Å; L220-L222 HydrophobicContact CD2-CD1 4.06Å; L220-L222 HydrophobicContact CD2-CG 4.33Å; L220-L222 HydrophobicContact CG-CD1 4.27Å; L220-L222 HydrophobicContact CG-CD2 4.37Å; L220-L222 HydrophobicContact CG-CG 4.01Å; L222-M225 HydrophobicContact CB-SD 3.84Å; L222-M225 HydrophobicContact CD2-SD 3.71Å; L222-M225 HydrophobicContact CG-SD 4.39Å; L222-L227 HydrophobicContact CB-CD1 4.38Å; L222-S245 CarbonylContact C-O 3.41Å; L222-S245 WeakPolarHBondContact CA-O 3.08Å; L222-S245 PolarHBondContact N-O 3.43Å; L222-F246 HydrophobicContact CB-CD1 4.16Å; L222-F246 HydrophobicContact CB-CE1 4.4Å; L222-F246 HydrophobicContact CD1-CD1 4.23Å; L222-F246 HydrophobicContact CD1-CE1 3.63Å; L222-F246 HydrophobicContact CD1-CZ 4.45Å; L222-N249 PolarHBondContact O-ND2 3.16Å
223	A	97	Very high	96.7	Very high	15 Å²	15	38.7 Å²	38.7	12%	0.124	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	143.7	-175	0	0	0	0	0	112.2	G199 E200 V221 M225 Y247	G199-A223 CarbonylContact C-O 3.55Å; G199-A223 VanDerWaalsContact C-O 3.28Å; G199-A223 WeakPolarHBondContact CA-O 3.24Å; E200-A223 PolarHBondContact N-O 3.33Å; V221-A223 HydrophobicContact CG1-CB 3.87Å; A223-M225 VanDerWaalsContact C-N 3.34Å; A223-M225 WeakPolarHBondContact O-CG 3.23Å; A223-M225 PolarHBondContact O-N 3.47Å; A223-Y247 CarbonylContact C-O 3.27Å; A223-Y247 WeakPolarHBondContact CA-O 3.37Å; A223-Y247 HydrophobicContact CB-CD1 4.22Å
224	G	96.2	Very high	96.8	Very high	12 Å²	12	37.1 Å²	37.1	12%	0.124	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.4	28.3	167.7	0	0	0	0	0	115.5	E200 Y247 D248	E200-G224 WeakPolarHBondContact CA-O 3.4Å; G224-Y247 PolarHBondContact N-O 2.82Å; G224-D248 VanDerWaalsContact CA-O 3.26Å; G224-D248 WeakPolarHBondContact CA-O 3.13Å; G224-D248 PolarHBondContact N-O 3.18Å
225	M	95.9	Very high	96.8	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.201	C	C	.	.	S	Bend	trans	-100.7	3.4	-172.2	-61.8	-171.7	76.6	0	0	114.2	I182 I198 N201 V203 L222 A223 L227 N249	I182-M225 HydrophobicContact CD1-CE 3.87Å; I198-M225 HydrophobicContact CG2-SD 4.37Å; N201-M225 HydrophobicContact CB-CE 4.34Å; V203-M225 HydrophobicContact CB-CE 3.54Å; V203-M225 HydrophobicContact CG1-CE 4.22Å; V203-M225 HydrophobicContact CG2-CE 3.26Å; L222-M225 HydrophobicContact CB-SD 3.84Å; L222-M225 HydrophobicContact CD2-SD 3.71Å; L222-M225 HydrophobicContact CG-SD 4.39Å; A223-M225 VanDerWaalsContact C-N 3.34Å; A223-M225 WeakPolarHBondContact O-CG 3.23Å; A223-M225 PolarHBondContact O-N 3.47Å; M225-L227 HydrophobicContact CB-CD1 3.95Å; M225-L227 HydrophobicContact CB-CD2 4.45Å; M225-L227 HydrophobicContact CB-CG 3.77Å; M225-L227 PolarHBondContact O-N 3.25Å; M225-L227 HydrophobicContact SD-CD1 4.33Å; M225-N249 WeakPolarHBondContact CA-OD1 3.25Å; M225-N249 WeakPolarHBondContact CB-OD1 3.49Å; M225-N249 PolarHBondContact N-OD1 3.22Å; M225-N249 VanDerWaalsContact N-OD1 3.07Å
226	Y	95.3	Very high	96.9	Very high	162 Å²	162	37 Å²	37	64%	0.635	20%	0.198	S	C	*	.			trans	59.5	23.7	-176.1	-57.1	-92	0	0	0	114.7	T228 N249	Y226-T228 PolarHBondContact O-N 3.18Å; Y226-N249 PolarHBondContact N-OD1 3.02Å; Y226-N249 VanDerWaalsContact N-OD1 3.16Å
227	L	95.9	Very high	96.9	Very high	4 Å²	4	34.6 Å²	34.6	2%	0.021	19%	0.188	C	C	.	.			trans	-66.8	127.5	-177.5	-62.5	167.3	0	0	0	111	I206 L222 M225 I230 N249 K250 L251	I206-L227 HydrophobicContact CD1-CD1 3.74Å; I206-L227 HydrophobicContact CD1-CD2 4.19Å; I206-L227 HydrophobicContact CG1-CD1 4.49Å; I206-L227 HydrophobicContact CG1-CD2 4.04Å; L222-L227 HydrophobicContact CB-CD1 4.38Å; M225-L227 HydrophobicContact CB-CD1 3.95Å; M225-L227 HydrophobicContact CB-CD2 4.45Å; M225-L227 HydrophobicContact CB-CG 3.77Å; M225-L227 PolarHBondContact O-N 3.25Å; M225-L227 HydrophobicContact SD-CD1 4.33Å; L227-I230 HydrophobicContact CB-CD1 4.28Å; L227-I230 HydrophobicContact CD1-CD1 3.88Å; L227-N249 HydrophobicContact CB-CB 4.23Å; L227-N249 WeakPolarHBondContact CB-OD1 3.17Å; L227-N249 PolarHBondContact N-OD1 3.32Å; L227-K250 CarbonylContact O-C 3.59Å; L227-K250 VanDerWaalsContact O-CA 3.24Å; L227-K250 WeakPolarHBondContact O-CA 3.21Å; L227-K250 PolarHBondContact O-N 3.34Å; L227-L251 HydrophobicContact CB-CD2 4.45Å; L227-L251 PolarHBondContact O-N 3.25Å
228	T	94.9	Very high	96.8	Very high	97 Å²	97	34.6 Å²	34.6	60%	0.595	19%	0.188	S	C	*	.			trans	-95.8	-29.1	178.9	56.2	0	0	0	0	113.5	Y226 K250	Y226-T228 PolarHBondContact O-N 3.18Å; T228-K250 HydrophobicContact CG2-CB 4.02Å
229	D	95.3	Very high	96.5	Very high	70 Å²	70	33.9 Å²	33.9	37%	0.374	19%	0.193	S	C	.	.			trans	-150.1	159.9	175.8	-158.7	7.7	0	0	0	109.7	K253	D229-K253 WeakPolarHBondContact OD1-CE 3.29Å; D229-K253 IonicContact OD1-NZ 3.32Å; D229-K253 PolarHBondContact OD1-NZ 2.74Å; D229-K253 WeakPolarHBondContact OD2-CE 3.45Å; D229-K253 IonicContact OD2-NZ 3.89Å; D229-K253 PolarHBondContact OD2-NZ 3.39Å
230	I	96.9	Very high	96.4	Very high	7 Å²	7	35 Å²	35	4%	0.036	20%	0.201	C	C	.	.			trans	-121.9	120.6	175.3	-53.3	-64	0	0	0	108.1	I206 L227 A234 F246 L251 P255 A258	I206-I230 HydrophobicContact CD1-CD1 4.04Å; L227-I230 HydrophobicContact CB-CD1 4.28Å; L227-I230 HydrophobicContact CD1-CD1 3.88Å; I230-A234 HydrophobicContact CG2-CB 3.89Å; I230-F246 HydrophobicContact CD1-CD1 4.24Å; I230-F246 HydrophobicContact CD1-CE1 3.64Å; I230-F246 HydrophobicContact CD1-CZ 4.31Å; I230-F246 HydrophobicContact CG1-CE1 3.87Å; I230-F246 HydrophobicContact CG1-CZ 4.08Å; I230-L251 HydrophobicContact CD1-CD2 4.37Å; I230-L251 HydrophobicContact CG1-CD2 4Å; I230-P255 HydrophobicContact CB-CB 3.77Å; I230-P255 HydrophobicContact CB-CG 4.49Å; I230-P255 HydrophobicContact CG1-CB 4.02Å; I230-P255 HydrophobicContact CG1-CG 4.27Å; I230-A258 HydrophobicContact CG2-CB 3.8Å
231	P	96.9	Very high	96.4	Very high	41 Å²	41	35 Å²	35	27%	0.266	20%	0.201	S	C	.	.			trans	-58.4	145.1	176.8	-24	32.7	0	0	0	112.7	I206 D208 N233 A234	I206-P231 WeakPolarHBondContact O-CD 3.49Å; I206-P231 WeakPolarHBondContact O-CG 3.15Å; D208-P231 WeakPolarHBondContact OD1-CB 3.25Å; P231-N233 PolarHBondContact O-N 3.43Å; P231-N233 VanDerWaalsContact O-N 3.14Å; P231-A234 HydrophobicContact CB-CB 4.18Å; P231-A234 HydrophobicContact CG-CB 4.44Å; P231-A234 WeakPolarHBondContact O-CB 3.28Å; P231-A234 PolarHBondContact O-N 3.4Å
232	G	96.8	Very high	96.4	Very high	19 Å²	19	36.2 Å²	36.2	20%	0.196	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-25.3	-174.8	0	0	0	0	0	114.9	A258 K261	G232-A258 WeakPolarHBondContact O-CA 3.38Å; G232-K261 WeakPolarHBondContact O-CG 3.14Å
233	N	97.6	Very high	96.4	Very high	73 Å²	73	38 Å²	38	39%	0.39	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.7	11.5	176.6	-58.6	-48.5	0	0	0	113.1	D208 M209 P231 L235 V236	D208-N233 HydrophobicContact CB-CB 4.11Å; D208-N233 WeakPolarHBondContact OD1-CA 3.49Å; D208-N233 WeakPolarHBondContact OD1-CB 3.29Å; D208-N233 PolarHBondContact OD1-N 2.76Å; D208-N233 VanDerWaalsContact OD1-N 3.15Å; M209-N233 PolarHBondContact N-O 3.2Å; P231-N233 PolarHBondContact O-N 3.43Å; P231-N233 VanDerWaalsContact O-N 3.14Å; N233-L235 VanDerWaalsContact C-N 3.27Å; N233-L235 PolarHBondContact O-N 3.04Å; N233-V236 HydrophobicContact CB-CG2 3.82Å; N233-V236 WeakPolarHBondContact O-CB 3.36Å; N233-V236 WeakPolarHBondContact O-CG2 3.2Å; N233-V236 PolarHBondContact O-N 3.31Å
234	A	97.7	Very high	96.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-36.6	-178.3	0	0	0	0	0	113.4	I206 L207 I230 P231	I206-A234 HydrophobicContact CG2-CB 3.82Å; L207-A234 WeakPolarHBondContact O-CA 3.37Å; I230-A234 HydrophobicContact CG2-CB 3.89Å; P231-A234 HydrophobicContact CB-CB 4.18Å; P231-A234 HydrophobicContact CG-CB 4.44Å; P231-A234 WeakPolarHBondContact O-CB 3.28Å; P231-A234 PolarHBondContact O-N 3.4Å
235	L	97.5	Very high	96.6	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94	9.6	-176.3	-56.1	-179.8	0	0	0	113.8	F211 L220 N233 G237 L238 L244 A258 V262	F211-L235 HydrophobicContact CD2-CD2 4.34Å; L220-L235 HydrophobicContact CD2-CD2 4.26Å; N233-L235 VanDerWaalsContact C-N 3.27Å; N233-L235 PolarHBondContact O-N 3.04Å; L235-G237 PolarHBondContact O-N 3.41Å; L235-L238 HydrophobicContact CB-CD1 4.19Å; L235-L238 HydrophobicContact CD2-CD1 3.87Å; L235-L238 WeakPolarHBondContact O-CB 3.48Å; L235-L238 PolarHBondContact O-N 3.02Å; L235-L244 HydrophobicContact CD1-CD2 3.76Å; L235-A258 HydrophobicContact CD1-CB 4.12Å; L235-A258 HydrophobicContact CG-CB 4.32Å; L235-V262 HydrophobicContact CB-CG1 3.94Å; L235-V262 HydrophobicContact CD1-CG1 4.32Å; L235-V262 HydrophobicContact CD1-CG2 4.24Å
236	V	97.1	Very high	96.7	Very high	44 Å²	44	37.4 Å²	37.4	27%	0.267	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	133	178.2	170.5	0	0	0	0	110.7	M209 K212 N233 K261	M209-V236 HydrophobicContact CG-CB 4.21Å; M209-V236 HydrophobicContact CG-CG1 4.32Å; K212-V236 WeakPolarHBondContact CA-O 3.26Å; N233-V236 HydrophobicContact CB-CG2 3.82Å; N233-V236 WeakPolarHBondContact O-CB 3.36Å; N233-V236 WeakPolarHBondContact O-CG2 3.2Å; N233-V236 PolarHBondContact O-N 3.31Å; V236-K261 HydrophobicContact CG2-CB 4.39Å; V236-K261 HydrophobicContact CG2-CD 4.35Å; V236-K261 HydrophobicContact CG2-CG 4.04Å
237	G	94.4	Very high	96.9	Very high	14 Å²	14	33.9 Å²	33.9	14%	0.144	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.6	-8.2	-178.4	0	0	0	0	0	114.1	S215 L235 D239	S215-G237 WeakPolarHBondContact CA-O 3.37Å; L235-G237 PolarHBondContact O-N 3.41Å; G237-D239 PolarHBondContact O-N 3.18Å; G237-D239 VanDerWaalsContact O-N 3.08Å
238	L	96.9	Very high	96.9	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.206	C	C	.	.			trans	-85.2	55.4	176.5	-62.7	-178.5	0	0	0	111.9	F211 L214 L217 L220 L235 S240 L241 V262	F211-L238 HydrophobicContact CB-CD1 3.97Å; F211-L238 HydrophobicContact CB-CD2 3.77Å; F211-L238 HydrophobicContact CB-CG 3.98Å; F211-L238 HydrophobicContact CD2-CD1 4.39Å; F211-L238 HydrophobicContact CG-CD1 4.41Å; L214-L238 HydrophobicContact CB-CD2 3.95Å; L214-L238 WeakPolarHBondContact O-CD2 3.36Å; L217-L238 HydrophobicContact CB-CD2 3.97Å; L217-L238 HydrophobicContact CD2-CD2 3.71Å; L217-L238 HydrophobicContact CG-CD2 4.49Å; L220-L238 HydrophobicContact CD2-CD1 3.81Å; L235-L238 HydrophobicContact CB-CD1 4.19Å; L235-L238 HydrophobicContact CD2-CD1 3.87Å; L235-L238 WeakPolarHBondContact O-CB 3.48Å; L235-L238 PolarHBondContact O-N 3.02Å; L238-S240 VanDerWaalsContact C-N 3.27Å; L238-S240 PolarHBondContact O-N 2.8Å; L238-L241 HydrophobicContact CB-CB 4.07Å; L238-L241 HydrophobicContact CB-CD2 4.36Å; L238-L241 HydrophobicContact CD1-CD2 4.06Å; L238-L241 WeakPolarHBondContact O-CB 3.11Å; L238-L241 PolarHBondContact O-N 2.89Å; L238-V262 HydrophobicContact CB-CG1 4.09Å
239	D	91.3	Very high	97.1	Very high	100 Å²	100	31.2 Å²	31.2	54%	0.535	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-27.6	-170.3	-60.4	-39.8	0	0	0	113.5	G237 N264	G237-D239 PolarHBondContact O-N 3.18Å; G237-D239 VanDerWaalsContact O-N 3.08Å; D239-N264 PolarHBondContact O-ND2 3.42Å
240	S	96.4	Very high	97.1	Very high	47 Å²	47	32.1 Å²	32.1	33%	0.329	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	6.4	-178.7	-53.9	0	0	0	0	113.8	S215 L217 L238 E242	S215-S240 WeakPolarHBondContact O-CB 3.18Å; S215-S240 PolarHBondContact O-OG 2.03Å; L217-S240 CarbonylContact O-C 3.59Å; L238-S240 VanDerWaalsContact C-N 3.27Å; L238-S240 PolarHBondContact O-N 2.8Å; S240-E242 WeakPolarHBondContact O-CG 3.29Å; S240-E242 PolarHBondContact O-N 3.21Å
241	L	98.3	Very high	97.2	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	18%	0.177	C	C	.	.			trans	-68.6	125	-171.8	-163.6	74.2	0	0	0	111.5	L217 L220 L238 L244 V262 N264 L265	L217-L241 HydrophobicContact CB-CD1 4.49Å; L217-L241 HydrophobicContact CD2-CD1 4.14Å; L217-L241 HydrophobicContact CG-CD1 4.24Å; L217-L241 WeakPolarHBondContact O-CA 3.28Å; L217-L241 PolarHBondContact O-N 2.73Å; L217-L241 VanDerWaalsContact O-N 3.15Å; L220-L241 HydrophobicContact CB-CD1 3.84Å; L238-L241 HydrophobicContact CB-CB 4.07Å; L238-L241 HydrophobicContact CB-CD2 4.36Å; L238-L241 HydrophobicContact CD1-CD2 4.06Å; L238-L241 WeakPolarHBondContact O-CB 3.11Å; L238-L241 PolarHBondContact O-N 2.89Å; L241-L244 HydrophobicContact CD2-CB 4.19Å; L241-L244 HydrophobicContact CD2-CD1 4.44Å; L241-L244 HydrophobicContact CD2-CD2 4.39Å; L241-V262 HydrophobicContact CB-CG1 4.37Å; L241-V262 HydrophobicContact CD2-CB 4.41Å; L241-V262 HydrophobicContact CD2-CG1 3.9Å; L241-N264 CarbonylContact O-C 3.42Å; L241-N264 VanDerWaalsContact O-C 3.31Å; L241-L265 HydrophobicContact CD2-CD1 4.19Å; L241-L265 HydrophobicContact CG-CD1 4.26Å; L241-L265 WeakPolarHBondContact O-CA 3.4Å; L241-L265 PolarHBondContact O-N 3.33Å
242	E	98.3	Very high	97.1	Very high	54 Å²	54	34.3 Å²	34.3	25%	0.252	19%	0.192	S	C	.	.			trans	-112.4	-28.9	-179.1	-53.8	-165.2	164.8	0	0	112.3	R218 S240 K266 F267	R218-E242 IonicContact NH1-OE1 3.99Å; R218-E242 WeakPolarHBondContact O-CA 3.41Å; R218-E242 PolarHBondContact O-N 3.25Å; S240-E242 WeakPolarHBondContact O-CG 3.29Å; S240-E242 PolarHBondContact O-N 3.21Å; E242-K266 HydrophobicContact CB-CD 4.24Å; E242-K266 HydrophobicContact CB-CG 4.41Å; E242-K266 HydrophobicContact CG-CD 4.48Å; E242-K266 WeakPolarHBondContact O-CA 3.11Å; E242-K266 WeakPolarHBondContact O-CB 3.39Å; E242-K266 PolarHBondContact O-N 2.7Å; E242-K266 IonicContact OE1-NZ 2.85Å; E242-K266 PolarHBondContact OE1-NZ 3.47Å; E242-K266 IonicContact OE2-NZ 2.95Å; E242-K266 PolarHBondContact OE2-NZ 3.02Å; E242-F267 PolarHBondContact O-N 3.44Å
243	S	98.6	Very high	97	Very high	37 Å²	37	38.6 Å²	38.6	26%	0.259	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	131.5	-177.9	-175.6	0	0	0	0	111.3	R218 S219 L220 F267	R218-S243 PolarHBondContact O-N 2.9Å; S219-S243 WeakPolarHBondContact CA-O 3.46Å; L220-S243 PolarHBondContact N-O 3.4Å; S243-F267 WeakPolarHBondContact CA-O 3.48Å
244	L	98.6	Very high	97	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	125.8	178.9	-179.7	59.1	0	0	0	110	L220 L235 L241 F246 L259 L265 F267 L268 D269	L220-L244 HydrophobicContact CB-CD1 4.02Å; L220-L244 HydrophobicContact CD2-CD1 4.02Å; L220-L244 HydrophobicContact CG-CD1 4.04Å; L220-L244 WeakPolarHBondContact O-CA 3.46Å; L235-L244 HydrophobicContact CD1-CD2 3.76Å; L241-L244 HydrophobicContact CD2-CB 4.19Å; L241-L244 HydrophobicContact CD2-CD1 4.44Å; L241-L244 HydrophobicContact CD2-CD2 4.39Å; L244-F246 HydrophobicContact CD1-CE2 4.28Å; L244-F246 HydrophobicContact CD1-CZ 4.13Å; L244-F246 HydrophobicContact CD2-CD2 4.39Å; L244-F246 HydrophobicContact CD2-CE2 3.49Å; L244-F246 VanDerWaalsContact CD2-CE2 3.49Å; L244-F246 HydrophobicContact CD2-CZ 3.8Å; L244-F246 HydrophobicContact CG-CD2 4.26Å; L244-F246 HydrophobicContact CG-CE2 3.77Å; L244-F246 HydrophobicContact CG-CZ 4.11Å; L244-L259 HydrophobicContact CD2-CD2 4.02Å; L244-L265 HydrophobicContact CB-CD1 3.61Å; L244-L265 HydrophobicContact CB-CD2 4.24Å; L244-F267 PolarHBondContact N-O 3.13Å; L244-L268 HydrophobicContact CB-CD1 4.38Å; L244-L268 HydrophobicContact CD2-CD1 4.4Å; L244-L268 HydrophobicContact CG-CD1 4.38Å; L244-L268 WeakPolarHBondContact O-CA 3.48Å; L244-D269 PolarHBondContact O-N 3.35Å
245	S	98.5	Very high	97	Very high	13 Å²	13	35.7 Å²	35.7	9%	0.091	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	126.4	175.1	178.6	0	0	0	0	111.6	L220 L222 Y247 D269	L220-S245 PolarHBondContact O-N 3.41Å; L220-S245 VanDerWaalsContact O-N 3.07Å; L222-S245 CarbonylContact C-O 3.41Å; L222-S245 WeakPolarHBondContact CA-O 3.08Å; L222-S245 PolarHBondContact N-O 3.43Å; S245-Y247 WeakPolarHBondContact OG-CB 3.4Å; S245-Y247 PolarHBondContact OG-N 3.14Å; S245-D269 PolarHBondContact OG-OD2 3.18Å
246	F	98.1	Very high	96.9	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.203	C	C	.	.			trans	-109.5	25.4	167.3	-65.2	-68.4	0	0	0	111.3	L222 I230 L244 D248 N249 L251 P255 L259 L268 D269 L270 N273	L222-F246 HydrophobicContact CB-CD1 4.16Å; L222-F246 HydrophobicContact CB-CE1 4.4Å; L222-F246 HydrophobicContact CD1-CD1 4.23Å; L222-F246 HydrophobicContact CD1-CE1 3.63Å; L222-F246 HydrophobicContact CD1-CZ 4.45Å; I230-F246 HydrophobicContact CD1-CD1 4.24Å; I230-F246 HydrophobicContact CD1-CE1 3.64Å; I230-F246 HydrophobicContact CD1-CZ 4.31Å; I230-F246 HydrophobicContact CG1-CE1 3.87Å; I230-F246 HydrophobicContact CG1-CZ 4.08Å; L244-F246 HydrophobicContact CD1-CE2 4.28Å; L244-F246 HydrophobicContact CD1-CZ 4.13Å; L244-F246 HydrophobicContact CD2-CD2 4.39Å; L244-F246 HydrophobicContact CD2-CE2 3.49Å; L244-F246 VanDerWaalsContact CD2-CE2 3.49Å; L244-F246 HydrophobicContact CD2-CZ 3.8Å; L244-F246 HydrophobicContact CG-CD2 4.26Å; L244-F246 HydrophobicContact CG-CE2 3.77Å; L244-F246 HydrophobicContact CG-CZ 4.11Å; F246-D248 PolarHBondContact O-N 3.04Å; F246-N249 VanDerWaalsContact C-ND2 3.31Å; F246-N249 PolarHBondContact O-ND2 2.92Å; F246-L251 HydrophobicContact CB-CD1 3.91Å; F246-L251 HydrophobicContact CD1-CD1 4.37Å; F246-L251 HydrophobicContact CD2-CD1 4.47Å; F246-L251 HydrophobicContact CG-CD1 4.03Å; F246-P255 HydrophobicContact CE2-CG 4.2Å; F246-L259 HydrophobicContact CE2-CD2 4.47Å; F246-L268 HydrophobicContact CD2-CD1 4.29Å; F246-D269 PolarHBondContact N-O 2.73Å; F246-L270 HydrophobicContact CB-CD2 4.24Å; F246-L270 HydrophobicContact CD2-CD2 3.88Å; F246-N273 PolarHBondContact O-ND2 3.26Å
247	Y	98.1	Very high	96.8	Very high	89 Å²	89	41.7 Å²	41.7	35%	0.349	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-46.4	133.8	-179.7	178.6	-91.8	0	0	0	112.2	A223 G224 S245 N249 N271 K272	A223-Y247 CarbonylContact C-O 3.27Å; A223-Y247 WeakPolarHBondContact CA-O 3.37Å; A223-Y247 HydrophobicContact CB-CD1 4.22Å; G224-Y247 PolarHBondContact N-O 2.82Å; S245-Y247 WeakPolarHBondContact OG-CB 3.4Å; S245-Y247 PolarHBondContact OG-N 3.14Å; Y247-N249 PolarHBondContact O-N 2.95Å; Y247-N249 PolarHBondContact O-ND2 3.41Å; Y247-N271 WeakPolarHBondContact CA-O 3.46Å; Y247-N271 HydrophobicContact CD2-CB 3.86Å; Y247-N271 HydrophobicContact CE2-CB 4.23Å; Y247-K272 HydrophobicContact CE1-CD 4.35Å; Y247-K272 HydrophobicContact CE2-CB 4.36Å
248	D	97.4	Very high	97	Very high	44 Å²	44	41.1 Å²	41.1	24%	0.235	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	50.7	173.2	-159.6	16.6	0	0	0	114.9	G224 F246 N271 K272	G224-D248 VanDerWaalsContact CA-O 3.26Å; G224-D248 WeakPolarHBondContact CA-O 3.13Å; G224-D248 PolarHBondContact N-O 3.18Å; F246-D248 PolarHBondContact O-N 3.04Å; D248-N271 PolarHBondContact N-O 3.2Å; D248-K272 HydrophobicContact CB-CB 4.33Å; D248-K272 HydrophobicContact CB-CD 3.81Å; D248-K272 HydrophobicContact CB-CG 4.24Å; D248-K272 WeakPolarHBondContact OD1-CD 3.1Å; D248-K272 WeakPolarHBondContact OD1-CE 3.27Å; D248-K272 IonicContact OD1-NZ 3.84Å; D248-K272 PolarHBondContact OD1-NZ 2.91Å; D248-K272 WeakPolarHBondContact OD2-CE 3.36Å; D248-K272 IonicContact OD2-NZ 3.06Å; D248-K272 PolarHBondContact OD2-NZ 3.1Å
249	N	97.8	Very high	97	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.213	C	C	.	.			trans	-108.2	-164	170.5	-78.3	-72.5	0	0	0	111.2	L222 M225 Y226 L227 F246 Y247 L251 N273	L222-N249 PolarHBondContact O-ND2 3.16Å; M225-N249 WeakPolarHBondContact CA-OD1 3.25Å; M225-N249 WeakPolarHBondContact CB-OD1 3.49Å; M225-N249 PolarHBondContact N-OD1 3.22Å; M225-N249 VanDerWaalsContact N-OD1 3.07Å; Y226-N249 PolarHBondContact N-OD1 3.02Å; Y226-N249 VanDerWaalsContact N-OD1 3.16Å; L227-N249 HydrophobicContact CB-CB 4.23Å; L227-N249 WeakPolarHBondContact CB-OD1 3.17Å; L227-N249 PolarHBondContact N-OD1 3.32Å; F246-N249 VanDerWaalsContact C-ND2 3.31Å; F246-N249 PolarHBondContact O-ND2 2.92Å; Y247-N249 PolarHBondContact O-N 2.95Å; Y247-N249 PolarHBondContact O-ND2 3.41Å; N249-L251 HydrophobicContact CB-CG 4.25Å; N249-N273 VanDerWaalsContact CA-OD1 3.28Å; N249-N273 WeakPolarHBondContact CA-OD1 3.17Å; N249-N273 WeakPolarHBondContact CB-OD1 3.32Å; N249-N273 PolarHBondContact N-OD1 2.85Å; N249-N273 PolarHBondContact O-OD1 3.12Å
250	K	96.9	Very high	97.2	Very high	89 Å²	89	41.7 Å²	41.7	39%	0.387	21%	0.211	S	C	.	.			trans	-120.2	29.5	-179.3	-57.5	-61.3	168.9	-146.9	0	111.5	L227 T228 V252 N273	L227-K250 CarbonylContact O-C 3.59Å; L227-K250 VanDerWaalsContact O-CA 3.24Å; L227-K250 WeakPolarHBondContact O-CA 3.21Å; L227-K250 PolarHBondContact O-N 3.34Å; T228-K250 HydrophobicContact CG2-CB 4.02Å; K250-V252 PolarHBondContact O-N 3.18Å; K250-N273 PolarHBondContact N-OD1 3.38Å
251	L	97.1	Very high	97.1	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.212	C	C	.	.			trans	-68.3	120.2	178.7	-58.1	176.6	0	0	0	109.9	L227 I230 F246 N249 L270 N273 P274 I275	L227-L251 HydrophobicContact CB-CD2 4.45Å; L227-L251 PolarHBondContact O-N 3.25Å; I230-L251 HydrophobicContact CD1-CD2 4.37Å; I230-L251 HydrophobicContact CG1-CD2 4Å; F246-L251 HydrophobicContact CB-CD1 3.91Å; F246-L251 HydrophobicContact CD1-CD1 4.37Å; F246-L251 HydrophobicContact CD2-CD1 4.47Å; F246-L251 HydrophobicContact CG-CD1 4.03Å; N249-L251 HydrophobicContact CB-CG 4.25Å; L251-L270 HydrophobicContact CD1-CD2 4.47Å; L251-N273 HydrophobicContact CB-CB 4.29Å; L251-N273 WeakPolarHBondContact CB-OD1 3.2Å; L251-N273 WeakPolarHBondContact CG-OD1 3.19Å; L251-N273 PolarHBondContact N-OD1 2.78Å; L251-P274 CarbonylContact O-C 3.54Å; L251-P274 VanDerWaalsContact O-C 3.3Å; L251-P274 VanDerWaalsContact O-CD 3.25Å; L251-P274 WeakPolarHBondContact O-CD 3.36Å; L251-P274 WeakPolarHBondContact O-CG 3.31Å; L251-I275 HydrophobicContact CB-CG1 4.49Å; L251-I275 VanDerWaalsContact O-CG1 3.23Å; L251-I275 WeakPolarHBondContact O-CG1 3.44Å; L251-I275 PolarHBondContact O-N 3.36Å
252	V	95.4	Very high	97.1	Very high	95 Å²	95	43.4 Å²	43.4	58%	0.576	21%	0.213	S	C	*	.	S	Bend	trans	-89.8	-16.8	179	-176.2	0	0	0	0	112	K250 P274 I275 H276	K250-V252 PolarHBondContact O-N 3.18Å; V252-P274 HydrophobicContact CG2-CG 4.49Å; V252-I275 WeakPolarHBondContact O-CA 3.11Å; V252-H276 PolarHBondContact O-N 3.33Å
253	K	95.9	Very high	96.8	Very high	109 Å²	109	44.6 Å²	44.6	47%	0.474	23%	0.226	S	C	.	.	S	Bend	trans	-138.8	156.8	-180	61.8	-178.1	178.1	-179	0	109.6	D229	D229-K253 WeakPolarHBondContact OD1-CE 3.29Å; D229-K253 IonicContact OD1-NZ 3.32Å; D229-K253 PolarHBondContact OD1-NZ 2.74Å; D229-K253 WeakPolarHBondContact OD2-CE 3.45Å; D229-K253 IonicContact OD2-NZ 3.89Å; D229-K253 PolarHBondContact OD2-NZ 3.39Å
254	V	97.5	Very high	96.7	Very high	6 Å²	6	46.4 Å²	46.4	4%	0.036	23%	0.232	C	C	.	.			trans	-67.1	132.4	169.9	-179.3	0	0	0	0	109	Q256 L259 L270 I275 I278 D282 F283	V254-Q256 PolarHBondContact O-N 2.82Å; V254-L259 HydrophobicContact CG1-CD1 3.69Å; V254-L270 HydrophobicContact CG1-CD1 4.43Å; V254-L270 HydrophobicContact CG2-CD1 4.34Å; V254-I275 HydrophobicContact CG2-CD1 4.08Å; V254-I275 HydrophobicContact CG2-CG2 4.46Å; V254-I278 HydrophobicContact CG2-CD1 3.68Å; V254-D282 HydrophobicContact CB-CB 3.89Å; V254-D282 HydrophobicContact CG1-CB 4.01Å; V254-D282 HydrophobicContact CG2-CB 4Å; V254-D282 WeakPolarHBondContact CG2-OD2 2.85Å; V254-F283 HydrophobicContact CG1-CD1 4.43Å; V254-F283 HydrophobicContact CG1-CE1 3.76Å; V254-F283 HydrophobicContact CG1-CZ 4.01Å; V254-F283 HydrophobicContact CG2-CE1 4.49Å; V254-F283 HydrophobicContact CG2-CE2 4.4Å; V254-F283 HydrophobicContact CG2-CZ 3.89Å
255	P	96.8	Very high	96.7	Very high	6 Å²	6	46.4 Å²	46.4	4%	0.039	23%	0.232	C	C	.	.			trans	-78.6	62	-179.7	32.5	-35.6	0	0	0	112	I230 F246 L257 A258 L259	I230-P255 HydrophobicContact CB-CB 3.77Å; I230-P255 HydrophobicContact CB-CG 4.49Å; I230-P255 HydrophobicContact CG1-CB 4.02Å; I230-P255 HydrophobicContact CG1-CG 4.27Å; F246-P255 HydrophobicContact CE2-CG 4.2Å; P255-L257 PolarHBondContact O-N 2.92Å; P255-A258 HydrophobicContact CB-CB 4.41Å; P255-A258 PolarHBondContact O-N 3.18Å; P255-A258 VanDerWaalsContact O-N 3.09Å; P255-L259 HydrophobicContact CG-CD1 4.32Å; P255-L259 HydrophobicContact CG-CG 4.28Å; P255-L259 WeakPolarHBondContact O-CG 3.38Å; P255-L259 PolarHBondContact O-N 2.81Å; P255-L259 VanDerWaalsContact O-N 3.08Å
256	Q	95.6	Very high	96.7	Very high	60 Å²	60	48.2 Å²	48.2	28%	0.28	24%	0.239	S	C	.	.	H	α-helix	trans	-48.5	-52.3	-172.9	-176.1	-165.5	-23.6	0	0	112.9	V254 A258 L259 E260 G281	V254-Q256 PolarHBondContact O-N 2.82Å; Q256-A258 PolarHBondContact O-N 3.44Å; Q256-L259 PolarHBondContact O-N 3.35Å; Q256-L259 VanDerWaalsContact O-N 3.12Å; Q256-E260 PolarHBondContact NE2-OE1 3.17Å; Q256-E260 WeakPolarHBondContact O-CG 3.45Å; Q256-E260 PolarHBondContact O-N 2.85Å; Q256-G281 WeakPolarHBondContact CG-O 3.42Å
257	L	95.8	Very high	96.7	Very high	111 Å²	111	52.1 Å²	52.1	58%	0.581	26%	0.255	S	S	*	.	H	α-helix	trans	-60.4	-32.9	-175.5	-64.3	177.1	0	0	0	113.3	P255	P255-L257 PolarHBondContact O-N 2.92Å
258	A	97.3	Very high	96.7	Very high	1 Å²	1	48 Å²	48	1%	0.008	24%	0.24	C	C	.	.	H	α-helix	trans	-77.9	-40.9	177.4	0	0	0	0	0	111.2	I230 G232 L235 P255 Q256 E260 K261	I230-A258 HydrophobicContact CG2-CB 3.8Å; G232-A258 WeakPolarHBondContact O-CA 3.38Å; L235-A258 HydrophobicContact CD1-CB 4.12Å; L235-A258 HydrophobicContact CG-CB 4.32Å; P255-A258 HydrophobicContact CB-CB 4.41Å; P255-A258 PolarHBondContact O-N 3.18Å; P255-A258 VanDerWaalsContact O-N 3.09Å; Q256-A258 PolarHBondContact O-N 3.44Å; A258-E260 VanDerWaalsContact C-N 3.27Å; A258-E260 PolarHBondContact O-N 3.37Å; A258-K261 WeakPolarHBondContact O-CB 3.22Å; A258-K261 PolarHBondContact O-N 2.95Å
259	L	97	Very high	96.8	Very high	6 Å²	6	47.8 Å²	47.8	3%	0.031	24%	0.238	C	C	.	.	H	α-helix	trans	-63.7	-32	177.7	-66.4	175.1	0	0	0	112.3	L244 F246 V254 P255 Q256 K261 V262 L265 L268 F283	L244-L259 HydrophobicContact CD2-CD2 4.02Å; F246-L259 HydrophobicContact CE2-CD2 4.47Å; V254-L259 HydrophobicContact CG1-CD1 3.69Å; P255-L259 HydrophobicContact CG-CD1 4.32Å; P255-L259 HydrophobicContact CG-CG 4.28Å; P255-L259 WeakPolarHBondContact O-CG 3.38Å; P255-L259 PolarHBondContact O-N 2.81Å; P255-L259 VanDerWaalsContact O-N 3.08Å; Q256-L259 PolarHBondContact O-N 3.35Å; Q256-L259 VanDerWaalsContact O-N 3.12Å; L259-K261 PolarHBondContact O-N 3.48Å; L259-K261 VanDerWaalsContact O-N 3.13Å; L259-V262 VanDerWaalsContact O-CG2 3.23Å; L259-V262 WeakPolarHBondContact O-CG2 3.27Å; L259-V262 PolarHBondContact O-N 3.2Å; L259-V262 VanDerWaalsContact O-N 3.11Å; L259-L265 HydrophobicContact CD2-CD2 4.34Å; L259-L268 HydrophobicContact CD1-CD2 3.87Å; L259-L268 HydrophobicContact CD2-CD1 4.1Å; L259-L268 HydrophobicContact CD2-CD2 4.1Å; L259-F283 HydrophobicContact CD1-CE1 4.46Å
260	E	95.2	Very high	96.8	Very high	106 Å²	106	47.8 Å²	47.8	50%	0.495	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-20.1	172.4	-74.2	176.5	-168.7	0	0	113.4	Q256 A258 V262	Q256-E260 PolarHBondContact NE2-OE1 3.17Å; Q256-E260 WeakPolarHBondContact O-CG 3.45Å; Q256-E260 PolarHBondContact O-N 2.85Å; A258-E260 VanDerWaalsContact C-N 3.27Å; A258-E260 PolarHBondContact O-N 3.37Å; E260-V262 VanDerWaalsContact C-N 3.35Å
261	K	96	Very high	96.8	Very high	81 Å²	81	44.6 Å²	44.6	35%	0.352	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-6.4	178.7	-52	-52.2	178.8	-162.1	0	113.8	G232 V236 A258 L259 P263	G232-K261 WeakPolarHBondContact O-CG 3.14Å; V236-K261 HydrophobicContact CG2-CB 4.39Å; V236-K261 HydrophobicContact CG2-CD 4.35Å; V236-K261 HydrophobicContact CG2-CG 4.04Å; A258-K261 WeakPolarHBondContact O-CB 3.22Å; A258-K261 PolarHBondContact O-N 2.95Å; L259-K261 PolarHBondContact O-N 3.48Å; L259-K261 VanDerWaalsContact O-N 3.13Å; K261-P263 VanDerWaalsContact C-CD 3.48Å; K261-P263 WeakPolarHBondContact O-CD 3.5Å
262	V	96.5	Very high	96.9	Very high	3 Å²	3	48.5 Å²	48.5	2%	0.018	24%	0.243	C	C	.	.			trans	-123.6	68.5	-177.8	-70.1	0	0	0	0	111.3	L235 L238 L241 L259 E260 N264 L265	L235-V262 HydrophobicContact CB-CG1 3.94Å; L235-V262 HydrophobicContact CD1-CG1 4.32Å; L235-V262 HydrophobicContact CD1-CG2 4.24Å; L238-V262 HydrophobicContact CB-CG1 4.09Å; L241-V262 HydrophobicContact CB-CG1 4.37Å; L241-V262 HydrophobicContact CD2-CB 4.41Å; L241-V262 HydrophobicContact CD2-CG1 3.9Å; L259-V262 VanDerWaalsContact O-CG2 3.23Å; L259-V262 WeakPolarHBondContact O-CG2 3.27Å; L259-V262 PolarHBondContact O-N 3.2Å; L259-V262 VanDerWaalsContact O-N 3.11Å; E260-V262 VanDerWaalsContact C-N 3.35Å; V262-N264 PolarHBondContact O-N 3.26Å; V262-L265 HydrophobicContact CG2-CB 4.4Å; V262-L265 HydrophobicContact CG2-CD2 4.37Å; V262-L265 WeakPolarHBondContact O-CB 3.15Å; V262-L265 PolarHBondContact O-N 3.09Å
263	P	93.6	Very high	97	Very high	80 Å²	80	44.1 Å²	44.1	52%	0.519	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-16.4	-170.8	29.3	-37.3	0	0	0	114.7	K261 L265	K261-P263 VanDerWaalsContact C-CD 3.48Å; K261-P263 WeakPolarHBondContact O-CD 3.5Å; P263-L265 VanDerWaalsContact C-N 3.34Å
264	N	95.9	Very high	97.1	Very high	74 Å²	74	40.6 Å²	40.6	40%	0.396	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	3.5	-179.9	-68.1	-45.4	0	0	0	113.6	D239 L241 V262 K266	D239-N264 PolarHBondContact O-ND2 3.42Å; L241-N264 CarbonylContact O-C 3.42Å; L241-N264 VanDerWaalsContact O-C 3.31Å; V262-N264 PolarHBondContact O-N 3.26Å; N264-K266 PolarHBondContact O-N 2.95Å
265	L	98.1	Very high	97.1	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	20%	0.202	C	C	.	.			trans	-61.7	128.5	-177	-166.2	71.9	0	0	0	111.2	L241 L244 L259 V262 P263 L268 M286 R288 L289	L241-L265 HydrophobicContact CD2-CD1 4.19Å; L241-L265 HydrophobicContact CG-CD1 4.26Å; L241-L265 WeakPolarHBondContact O-CA 3.4Å; L241-L265 PolarHBondContact O-N 3.33Å; L244-L265 HydrophobicContact CB-CD1 3.61Å; L244-L265 HydrophobicContact CB-CD2 4.24Å; L259-L265 HydrophobicContact CD2-CD2 4.34Å; V262-L265 HydrophobicContact CG2-CB 4.4Å; V262-L265 HydrophobicContact CG2-CD2 4.37Å; V262-L265 WeakPolarHBondContact O-CB 3.15Å; V262-L265 PolarHBondContact O-N 3.09Å; P263-L265 VanDerWaalsContact C-N 3.34Å; L265-L268 HydrophobicContact CD2-CB 3.95Å; L265-L268 HydrophobicContact CD2-CD1 4.17Å; L265-L268 HydrophobicContact CD2-CD2 4.49Å; L265-L268 HydrophobicContact CD2-CG 4.42Å; L265-M286 HydrophobicContact CD2-CE 3.82Å; L265-R288 CarbonylContact O-C 3.53Å; L265-L289 VanDerWaalsContact O-CA 3.3Å; L265-L289 WeakPolarHBondContact O-CA 3.49Å; L265-L289 PolarHBondContact O-N 3.04Å; L265-L289 VanDerWaalsContact O-N 3.15Å
266	K	98.3	Very high	96.8	Very high	52 Å²	52	43.3 Å²	43.3	23%	0.226	22%	0.216	C	C	.	.			trans	-107.5	-34.6	-179.9	-59.4	177.4	-166.9	160.7	0	112.2	E242 N264 R288 K290 E291	E242-K266 HydrophobicContact CB-CD 4.24Å; E242-K266 HydrophobicContact CB-CG 4.41Å; E242-K266 HydrophobicContact CG-CD 4.48Å; E242-K266 WeakPolarHBondContact O-CA 3.11Å; E242-K266 WeakPolarHBondContact O-CB 3.39Å; E242-K266 PolarHBondContact O-N 2.7Å; E242-K266 IonicContact OE1-NZ 2.85Å; E242-K266 PolarHBondContact OE1-NZ 3.47Å; E242-K266 IonicContact OE2-NZ 2.95Å; E242-K266 PolarHBondContact OE2-NZ 3.02Å; N264-K266 PolarHBondContact O-N 2.95Å; K266-R288 WeakPolarHBondContact CA-O 3.35Å; K266-K290 HydrophobicContact CB-CG 4.4Å; K266-K290 WeakPolarHBondContact O-CA 3.45Å; K266-K290 PolarHBondContact O-N 3.38Å; K266-E291 PolarHBondContact O-N 2.71Å; K266-E291 VanDerWaalsContact O-N 3.12Å
267	F	98.6	Very high	96.7	Very high	81 Å²	81	42.4 Å²	42.4	36%	0.355	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	122.4	-176.9	-54.7	-85.6	0	0	0	109.3	E242 S243 L244 E291	E242-F267 PolarHBondContact O-N 3.44Å; S243-F267 WeakPolarHBondContact CA-O 3.48Å; L244-F267 PolarHBondContact N-O 3.13Å; F267-E291 HydrophobicContact CD1-CB 3.79Å; F267-E291 HydrophobicContact CE1-CB 4.25Å
268	L	98.4	Very high	96.8	Very high	4 Å²	4	37.1 Å²	37.1	2%	0.021	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	121.5	175.4	179	58.7	0	0	0	110.2	L244 F246 L259 L265 L270 F283 M286 L289 E291 L292 G293	L244-L268 HydrophobicContact CB-CD1 4.38Å; L244-L268 HydrophobicContact CD2-CD1 4.4Å; L244-L268 HydrophobicContact CG-CD1 4.38Å; L244-L268 WeakPolarHBondContact O-CA 3.48Å; F246-L268 HydrophobicContact CD2-CD1 4.29Å; L259-L268 HydrophobicContact CD1-CD2 3.87Å; L259-L268 HydrophobicContact CD2-CD1 4.1Å; L259-L268 HydrophobicContact CD2-CD2 4.1Å; L265-L268 HydrophobicContact CD2-CB 3.95Å; L265-L268 HydrophobicContact CD2-CD1 4.17Å; L265-L268 HydrophobicContact CD2-CD2 4.49Å; L265-L268 HydrophobicContact CD2-CG 4.42Å; L268-L270 HydrophobicContact CD1-CD2 4.41Å; L268-L270 HydrophobicContact CD1-CG 4.33Å; L268-L270 HydrophobicContact CD2-CD1 4.17Å; L268-L270 HydrophobicContact CD2-CG 4.35Å; L268-L270 HydrophobicContact CG-CD1 4.44Å; L268-L270 HydrophobicContact CG-CG 4.13Å; L268-F283 HydrophobicContact CD2-CD1 4.28Å; L268-F283 HydrophobicContact CD2-CE1 3.77Å; L268-M286 HydrophobicContact CD2-CE 4.24Å; L268-L289 HydrophobicContact CB-CD1 3.82Å; L268-E291 PolarHBondContact N-O 3.28Å; L268-E291 VanDerWaalsContact N-O 3.07Å; L268-L292 HydrophobicContact CB-CD1 4.17Å; L268-L292 HydrophobicContact CD2-CD1 4.01Å; L268-L292 HydrophobicContact CG-CD1 4.09Å; L268-G293 PolarHBondContact O-N 2.81Å
269	D	98.4	Very high	96.6	Very high	38 Å²	38	41 Å²	41	20%	0.203	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	109.5	177.4	174.7	14.3	0	0	0	110.4	L244 S245 F246 N271	L244-D269 PolarHBondContact O-N 3.35Å; S245-D269 PolarHBondContact OG-OD2 3.18Å; F246-D269 PolarHBondContact N-O 2.73Å; D269-N271 WeakPolarHBondContact OD1-CB 3.39Å; D269-N271 PolarHBondContact OD1-N 2.86Å; D269-N271 PolarHBondContact OD1-ND2 2.96Å
270	L	98.3	Very high	96.5	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.223	C	C	.	.			trans	-108.1	10.6	174.8	-67.7	171.4	0	0	0	112	F246 L251 V254 L268 N273 I275 F283 L292 G293 I294	F246-L270 HydrophobicContact CB-CD2 4.24Å; F246-L270 HydrophobicContact CD2-CD2 3.88Å; L251-L270 HydrophobicContact CD1-CD2 4.47Å; V254-L270 HydrophobicContact CG1-CD1 4.43Å; V254-L270 HydrophobicContact CG2-CD1 4.34Å; L268-L270 HydrophobicContact CD1-CD2 4.41Å; L268-L270 HydrophobicContact CD1-CG 4.33Å; L268-L270 HydrophobicContact CD2-CD1 4.17Å; L268-L270 HydrophobicContact CD2-CG 4.35Å; L268-L270 HydrophobicContact CG-CD1 4.44Å; L268-L270 HydrophobicContact CG-CG 4.13Å; L270-N273 PolarHBondContact O-ND2 2.96Å; L270-I275 HydrophobicContact CD1-CD1 4.37Å; L270-F283 HydrophobicContact CD1-CE1 3.81Å; L270-F283 HydrophobicContact CD1-CZ 3.62Å; L270-L292 HydrophobicContact CD1-CD1 4.41Å; L270-G293 PolarHBondContact N-O 3.08Å; L270-I294 HydrophobicContact CB-CG2 4.35Å; L270-I294 HydrophobicContact CD1-CG2 4.43Å
271	N	98.3	Very high	96.3	Very high	22 Å²	22	41.2 Å²	41.2	12%	0.118	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	148.5	-173.3	-62	-36.2	0	0	0	111.6	Y247 D248 D269 N273 G293 I294 N295	Y247-N271 WeakPolarHBondContact CA-O 3.46Å; Y247-N271 HydrophobicContact CD2-CB 3.86Å; Y247-N271 HydrophobicContact CE2-CB 4.23Å; D248-N271 PolarHBondContact N-O 3.2Å; D269-N271 WeakPolarHBondContact OD1-CB 3.39Å; D269-N271 PolarHBondContact OD1-N 2.86Å; D269-N271 PolarHBondContact OD1-ND2 2.96Å; N271-N273 VanDerWaalsContact C-N 3.27Å; N271-N273 PolarHBondContact O-N 3.46Å; N271-N273 PolarHBondContact O-ND2 3.4Å; N271-G293 WeakPolarHBondContact OD1-CA 3.27Å; N271-G293 PolarHBondContact OD1-O 3.47Å; N271-I294 PolarHBondContact OD1-N 2.74Å; N271-N295 CarbonylContact C-O 3.53Å; N271-N295 VanDerWaalsContact CA-O 3.25Å; N271-N295 WeakPolarHBondContact CA-O 3.25Å; N271-N295 HydrophobicContact CB-CB 4.49Å; N271-N295 WeakPolarHBondContact OD1-CA 3.25Å; N271-N295 VanDerWaalsContact OD1-CB 3.25Å; N271-N295 WeakPolarHBondContact OD1-CB 3.26Å; N271-N295 PolarHBondContact OD1-N 2.96Å; N271-N295 PolarHBondContact OD1-ND2 3.37Å
272	K	97.6	Very high	96.3	Very high	83 Å²	83	37.6 Å²	37.6	36%	0.361	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.1	30.9	175.2	-160	176	170.3	-160.6	0	114.2	Y247 D248 N295 N296	Y247-K272 HydrophobicContact CE1-CD 4.35Å; Y247-K272 HydrophobicContact CE2-CB 4.36Å; D248-K272 HydrophobicContact CB-CB 4.33Å; D248-K272 HydrophobicContact CB-CD 3.81Å; D248-K272 HydrophobicContact CB-CG 4.24Å; D248-K272 WeakPolarHBondContact OD1-CD 3.1Å; D248-K272 WeakPolarHBondContact OD1-CE 3.27Å; D248-K272 IonicContact OD1-NZ 3.84Å; D248-K272 PolarHBondContact OD1-NZ 2.91Å; D248-K272 WeakPolarHBondContact OD2-CE 3.36Å; D248-K272 IonicContact OD2-NZ 3.06Å; D248-K272 PolarHBondContact OD2-NZ 3.1Å; K272-N295 PolarHBondContact N-O 3.46Å; K272-N296 WeakPolarHBondContact CA-O 3.17Å
273	N	98.4	Very high	96.3	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.011	19%	0.189	C	C	.	.			trans	-102.1	150.2	168.7	-78.4	-82.6	0	0	0	112	F246 N249 K250 L251 L270 N271 I275 M297	F246-N273 PolarHBondContact O-ND2 3.26Å; N249-N273 VanDerWaalsContact CA-OD1 3.28Å; N249-N273 WeakPolarHBondContact CA-OD1 3.17Å; N249-N273 WeakPolarHBondContact CB-OD1 3.32Å; N249-N273 PolarHBondContact N-OD1 2.85Å; N249-N273 PolarHBondContact O-OD1 3.12Å; K250-N273 PolarHBondContact N-OD1 3.38Å; L251-N273 HydrophobicContact CB-CB 4.29Å; L251-N273 WeakPolarHBondContact CB-OD1 3.2Å; L251-N273 WeakPolarHBondContact CG-OD1 3.19Å; L251-N273 PolarHBondContact N-OD1 2.78Å; L270-N273 PolarHBondContact O-ND2 2.96Å; N271-N273 VanDerWaalsContact C-N 3.27Å; N271-N273 PolarHBondContact O-N 3.46Å; N271-N273 PolarHBondContact O-ND2 3.4Å; N273-I275 HydrophobicContact CB-CD1 4.26Å; N273-I275 HydrophobicContact CB-CG1 4.02Å; N273-I275 PolarHBondContact O-N 2.79Å; N273-M297 HydrophobicContact CB-SD 4.47Å; N273-M297 WeakPolarHBondContact O-CB 3.42Å; N273-M297 WeakPolarHBondContact O-CG 3.49Å
274	P	97.3	Very high	96.4	Very high	35 Å²	35	38.2 Å²	38.2	23%	0.227	18%	0.183	C	C	.	.			trans	-82	44.5	176.4	36.4	-37.8	0	0	0	112.6	L251 V252 H276 E299	L251-P274 CarbonylContact O-C 3.54Å; L251-P274 VanDerWaalsContact O-C 3.3Å; L251-P274 VanDerWaalsContact O-CD 3.25Å; L251-P274 WeakPolarHBondContact O-CD 3.36Å; L251-P274 WeakPolarHBondContact O-CG 3.31Å; V252-P274 HydrophobicContact CG2-CG 4.49Å; P274-H276 PolarHBondContact O-N 2.99Å; P274-E299 HydrophobicContact CB-CB 4.33Å; P274-E299 HydrophobicContact CB-CG 4.03Å
275	I	97.1	Very high	96.4	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.187	C	C	.	.			trans	-71.9	125.2	177.4	-61.8	174.7	0	0	0	108.6	L251 V252 V254 L270 N273 K277 I278 M297 E299 L300	L251-I275 HydrophobicContact CB-CG1 4.49Å; L251-I275 VanDerWaalsContact O-CG1 3.23Å; L251-I275 WeakPolarHBondContact O-CG1 3.44Å; L251-I275 PolarHBondContact O-N 3.36Å; V252-I275 WeakPolarHBondContact O-CA 3.11Å; V254-I275 HydrophobicContact CG2-CD1 4.08Å; V254-I275 HydrophobicContact CG2-CG2 4.46Å; L270-I275 HydrophobicContact CD1-CD1 4.37Å; N273-I275 HydrophobicContact CB-CD1 4.26Å; N273-I275 HydrophobicContact CB-CG1 4.02Å; N273-I275 PolarHBondContact O-N 2.79Å; I275-K277 WeakPolarHBondContact CG2-O 3.15Å; I275-I278 HydrophobicContact CG2-CD1 3.9Å; I275-M297 HydrophobicContact CB-SD 3.82Å; I275-M297 HydrophobicContact CD1-SD 4.12Å; I275-M297 HydrophobicContact CG1-SD 4.17Å; I275-E299 CarbonylContact O-C 3.59Å; I275-L300 WeakPolarHBondContact O-CA 3.43Å; I275-L300 WeakPolarHBondContact O-CB 3.47Å; I275-L300 PolarHBondContact O-N 2.85Å
276	H	92.2	Very high	96.3	Very high	70 Å²	70	39.6 Å²	39.6	32%	0.324	19%	0.191	S	C	.	.			trans	-77.5	-39.3	-174.6	-172.3	-102.5	0	0	0	113.2	V252 P274 E299 V301 D446	V252-H276 PolarHBondContact O-N 3.33Å; P274-H276 PolarHBondContact O-N 2.99Å; H276-E299 WeakPolarHBondContact CA-O 3.2Å; H276-V301 PolarHBondContact O-N 3.3Å; H276-D446 IonicContact CE1-OD2 3.16Å; H276-D446 IonicContact ND1-OD2 3.23Å
277	K	93.3	Very high	96.2	Very high	40 Å²	40	41 Å²	41	17%	0.174	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	153	179	61.5	-177.6	173.6	-166.5	0	111.1	I275 S302 D446	I275-K277 WeakPolarHBondContact CG2-O 3.15Å; K277-S302 WeakPolarHBondContact CA-O 3.32Å; K277-D446 IonicContact NZ-OD1 2.99Å; K277-D446 PolarHBondContact NZ-OD1 3.22Å; K277-D446 IonicContact NZ-OD2 3.91Å; K277-D446 PolarHBondContact NZ-OD2 3.23Å
278	I	96.8	Very high	96.2	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	118.4	166.8	-50.1	-58	0	0	0	107.7	V254 I275 D282 F283 L300 S302 V303 D304 A307	V254-I278 HydrophobicContact CG2-CD1 3.68Å; I275-I278 HydrophobicContact CG2-CD1 3.9Å; I278-D282 WeakPolarHBondContact CA-OD2 3.49Å; I278-D282 HydrophobicContact CG2-CB 4.12Å; I278-F283 HydrophobicContact CD1-CE2 4.22Å; I278-F283 HydrophobicContact CD1-CZ 4.49Å; I278-F283 HydrophobicContact CG2-CD2 3.81Å; I278-F283 HydrophobicContact CG2-CE2 3.43Å; I278-F283 VanDerWaalsContact CG2-CE2 3.43Å; I278-L300 HydrophobicContact CD1-CD1 4.36Å; I278-L300 HydrophobicContact CG1-CD1 4.01Å; I278-S302 PolarHBondContact N-O 2.91Å; I278-V303 HydrophobicContact CB-CG1 4.42Å; I278-V303 HydrophobicContact CB-CG2 4.45Å; I278-V303 HydrophobicContact CG1-CG2 4.44Å; I278-D304 PolarHBondContact O-N 3.33Å; I278-A307 HydrophobicContact CB-CB 4.38Å; I278-A307 HydrophobicContact CG2-CB 3.78Å
279	Q	94.3	Very high	96.2	Very high	84 Å²	84	42.8 Å²	42.8	39%	0.393	20%	0.204	S	C	.	.			trans	-112.5	168.1	-171.6	61.5	-180	15.4	0	0	112.5	G281 D282	Q279-G281 PolarHBondContact O-N 3.34Å; Q279-D282 WeakPolarHBondContact CG-OD1 3.43Å; Q279-D282 WeakPolarHBondContact CG-OD2 3.42Å; Q279-D282 PolarHBondContact N-OD2 2.84Å; Q279-D282 WeakPolarHBondContact O-CB 3.49Å; Q279-D282 PolarHBondContact O-N 3.4Å
280	E	93.3	Very high	96.2	Very high	105 Å²	105	44.6 Å²	44.6	49%	0.491	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	127.8	175.2	-175.9	174.9	179.3	0	0	110.7
281	G	92.2	Very high	96.1	Very high	10 Å²	10	47.4 Å²	47.4	10%	0.103	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	103.6	-25.7	178.7	0	0	0	0	0	114.6	Q256 Q279 F283 K284	Q256-G281 WeakPolarHBondContact CG-O 3.42Å; Q279-G281 PolarHBondContact O-N 3.34Å; G281-F283 VanDerWaalsContact C-N 3.27Å; G281-F283 PolarHBondContact O-N 3.08Å; G281-F283 VanDerWaalsContact O-N 3.16Å; G281-K284 PolarHBondContact O-N 3.25Å
282	D	95.9	Very high	96.1	Very high	6 Å²	6	46.3 Å²	46.3	3%	0.032	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-40	-173	-78.2	-11	0	0	0	113.3	V254 I278 Q279	V254-D282 HydrophobicContact CB-CB 3.89Å; V254-D282 HydrophobicContact CG1-CB 4.01Å; V254-D282 HydrophobicContact CG2-CB 4Å; V254-D282 WeakPolarHBondContact CG2-OD2 2.85Å; I278-D282 WeakPolarHBondContact CA-OD2 3.49Å; I278-D282 HydrophobicContact CG2-CB 4.12Å; Q279-D282 WeakPolarHBondContact CG-OD1 3.43Å; Q279-D282 WeakPolarHBondContact CG-OD2 3.42Å; Q279-D282 PolarHBondContact N-OD2 2.84Å; Q279-D282 WeakPolarHBondContact O-CB 3.49Å; Q279-D282 PolarHBondContact O-N 3.4Å
283	F	96.5	Very high	96.1	Very high	1 Å²	1	42.6 Å²	42.6	0%	0.004	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.3	27.8	179.4	-55.5	-62.4	0	0	0	113.1	V254 L259 L268 L270 I278 G281 N285 M286 L292 L308 L311	V254-F283 HydrophobicContact CG1-CD1 4.43Å; V254-F283 HydrophobicContact CG1-CE1 3.76Å; V254-F283 HydrophobicContact CG1-CZ 4.01Å; V254-F283 HydrophobicContact CG2-CE1 4.49Å; V254-F283 HydrophobicContact CG2-CE2 4.4Å; V254-F283 HydrophobicContact CG2-CZ 3.89Å; L259-F283 HydrophobicContact CD1-CE1 4.46Å; L268-F283 HydrophobicContact CD2-CD1 4.28Å; L268-F283 HydrophobicContact CD2-CE1 3.77Å; L270-F283 HydrophobicContact CD1-CE1 3.81Å; L270-F283 HydrophobicContact CD1-CZ 3.62Å; I278-F283 HydrophobicContact CD1-CE2 4.22Å; I278-F283 HydrophobicContact CD1-CZ 4.49Å; I278-F283 HydrophobicContact CG2-CD2 3.81Å; I278-F283 HydrophobicContact CG2-CE2 3.43Å; I278-F283 VanDerWaalsContact CG2-CE2 3.43Å; G281-F283 VanDerWaalsContact C-N 3.27Å; G281-F283 PolarHBondContact O-N 3.08Å; G281-F283 VanDerWaalsContact O-N 3.16Å; F283-N285 PolarHBondContact O-N 3.29Å; F283-M286 HydrophobicContact CB-SD 4.11Å; F283-M286 HydrophobicContact CD1-SD 3.78Å; F283-M286 HydrophobicContact CG-SD 4.45Å; F283-L292 HydrophobicContact CD1-CD2 4.35Å; F283-L292 HydrophobicContact CD2-CD2 3.92Å; F283-L292 HydrophobicContact CE1-CD1 3.95Å; F283-L292 HydrophobicContact CE1-CD2 4.21Å; F283-L292 HydrophobicContact CE2-CD2 3.73Å; F283-L292 HydrophobicContact CG-CD2 4.22Å; F283-L292 HydrophobicContact CZ-CD1 3.97Å; F283-L292 HydrophobicContact CZ-CD2 3.9Å; F283-L308 HydrophobicContact CD2-CG 4.47Å; F283-L311 HydrophobicContact CB-CD1 4.29Å; F283-L311 VanDerWaalsContact O-CD2 3.28Å; F283-L311 WeakPolarHBondContact O-CD2 3.42Å
284	K	95	Very high	96.1	Very high	94 Å²	94	42.7 Å²	42.7	41%	0.409	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	133.8	-174.2	-172.1	173.6	-172.8	168.1	0	112.1	G281 M286 D309	G281-K284 PolarHBondContact O-N 3.25Å; K284-M286 VanDerWaalsContact C-N 3.25Å; K284-M286 PolarHBondContact O-N 3.07Å; K284-D309 WeakPolarHBondContact CA-O 3.26Å
285	N	95.7	Very high	96.1	Very high	88 Å²	88	41.3 Å²	41.3	47%	0.471	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	27.7	175	-59.1	-38.7	0	0	0	114.8	F283 L287 D309 N310	F283-N285 PolarHBondContact O-N 3.29Å; N285-L287 WeakPolarHBondContact O-CG 3.37Å; N285-L287 PolarHBondContact O-N 2.84Å; N285-D309 PolarHBondContact N-O 2.82Å; N285-D309 VanDerWaalsContact N-O 3.08Å; N285-N310 PolarHBondContact OD1-ND2 3.28Å
286	M	96.3	Very high	96.2	Very high	16 Å²	16	44.8 Å²	44.8	8%	0.079	21%	0.213	C	C	.	.			trans	-78.9	73.9	171.4	-56	-177.5	68.5	0	0	110	L265 L268 F283 K284 R288 L289 L311	L265-M286 HydrophobicContact CD2-CE 3.82Å; L268-M286 HydrophobicContact CD2-CE 4.24Å; F283-M286 HydrophobicContact CB-SD 4.11Å; F283-M286 HydrophobicContact CD1-SD 3.78Å; F283-M286 HydrophobicContact CG-SD 4.45Å; K284-M286 VanDerWaalsContact C-N 3.25Å; K284-M286 PolarHBondContact O-N 3.07Å; M286-R288 PolarHBondContact O-N 3.28Å; M286-R288 VanDerWaalsContact O-N 3.09Å; M286-L289 HydrophobicContact CB-CB 3.89Å; M286-L289 HydrophobicContact CB-CD2 4.31Å; M286-L289 HydrophobicContact CE-CD1 4.14Å; M286-L289 HydrophobicContact CE-CD2 4.16Å; M286-L289 WeakPolarHBondContact O-CB 3.5Å; M286-L289 PolarHBondContact O-N 3.03Å; M286-L289 VanDerWaalsContact O-N 3.1Å; M286-L289 HydrophobicContact SD-CD2 4.08Å; M286-L311 HydrophobicContact CB-CD2 3.57Å; M286-L311 HydrophobicContact CG-CD2 4.41Å; M286-L311 WeakPolarHBondContact O-CD2 3.38Å
287	L	96.8	Very high	96.4	Very high	83 Å²	83	41.5 Å²	41.5	44%	0.435	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-26.7	-164.7	-57.6	-178.2	0	0	0	114.8	N285 P312 E313	N285-L287 WeakPolarHBondContact O-CG 3.37Å; N285-L287 PolarHBondContact O-N 2.84Å; L287-P312 HydrophobicContact CB-CG 4.45Å; L287-P312 HydrophobicContact CD2-CG 4.24Å; L287-P312 WeakPolarHBondContact O-CG 3.46Å; L287-E313 WeakPolarHBondContact O-CG 3.33Å
288	R	97.7	Very high	96.5	Very high	122 Å²	122	41.1 Å²	41.1	46%	0.46	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-2.8	-177.1	-62.3	-57.3	-165.6	164.3	3.4	113.8	L265 K266 M286 K290 E313	L265-R288 CarbonylContact O-C 3.53Å; K266-R288 WeakPolarHBondContact CA-O 3.35Å; M286-R288 PolarHBondContact O-N 3.28Å; M286-R288 VanDerWaalsContact O-N 3.09Å; R288-K290 PolarHBondContact O-N 3.25Å; R288-E313 WeakPolarHBondContact CD-OE1 3.46Å; R288-E313 IonicContact CZ-OE1 2.67Å; R288-E313 IonicContact NE-OE1 3.07Å; R288-E313 IonicContact NH1-OE1 2.67Å; R288-E313 PolarHBondContact NH1-OE1 3.36Å
289	L	98.3	Very high	96.4	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.223	C	C	.	.			trans	-67.5	125.4	-176.3	-169.9	69.9	0	0	0	109.5	L265 L268 M286 L292 L311 E313 L314	L265-L289 VanDerWaalsContact O-CA 3.3Å; L265-L289 WeakPolarHBondContact O-CA 3.49Å; L265-L289 PolarHBondContact O-N 3.04Å; L265-L289 VanDerWaalsContact O-N 3.15Å; L268-L289 HydrophobicContact CB-CD1 3.82Å; M286-L289 HydrophobicContact CB-CB 3.89Å; M286-L289 HydrophobicContact CB-CD2 4.31Å; M286-L289 HydrophobicContact CE-CD1 4.14Å; M286-L289 HydrophobicContact CE-CD2 4.16Å; M286-L289 WeakPolarHBondContact O-CB 3.5Å; M286-L289 PolarHBondContact O-N 3.03Å; M286-L289 VanDerWaalsContact O-N 3.1Å; M286-L289 HydrophobicContact SD-CD2 4.08Å; L289-L292 HydrophobicContact CD2-CB 4.32Å; L289-L311 HydrophobicContact CD2-CD2 4.43Å; L289-E313 CarbonylContact O-C 3.24Å; L289-L314 HydrophobicContact CD2-CD1 4.19Å; L289-L314 HydrophobicContact CG-CD1 4.11Å; L289-L314 WeakPolarHBondContact O-CA 3.14Å; L289-L314 PolarHBondContact O-N 2.77Å
290	K	98.1	Very high	96.5	Very high	75 Å²	75	41 Å²	41	33%	0.326	20%	0.204	S	C	.	.			trans	-108.6	-39.1	-177.8	-63.4	-170.8	177.3	-171.6	0	112.6	K266 R288 E313 T315 K316	K266-K290 HydrophobicContact CB-CG 4.4Å; K266-K290 WeakPolarHBondContact O-CA 3.45Å; K266-K290 PolarHBondContact O-N 3.38Å; R288-K290 PolarHBondContact O-N 3.25Å; K290-E313 WeakPolarHBondContact CA-O 2.94Å; K290-E313 WeakPolarHBondContact CE-OE2 3.14Å; K290-E313 HydrophobicContact CG-CB 4.33Å; K290-E313 IonicContact NZ-OE2 3.49Å; K290-T315 PolarHBondContact O-N 2.77Å; K290-T315 PolarHBondContact O-OG1 3.46Å; K290-K316 PolarHBondContact O-N 3.45Å; K290-K316 VanDerWaalsContact O-N 3.12Å
291	E	98.2	Very high	96.5	Very high	59 Å²	59	36.1 Å²	36.1	28%	0.276	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	131.8	-178.4	-172.6	165.7	-171.1	0	0	110.7	K266 F267 L268 K316	K266-E291 PolarHBondContact O-N 2.71Å; K266-E291 VanDerWaalsContact O-N 3.12Å; F267-E291 HydrophobicContact CD1-CB 3.79Å; F267-E291 HydrophobicContact CE1-CB 4.25Å; L268-E291 PolarHBondContact N-O 3.28Å; L268-E291 VanDerWaalsContact N-O 3.07Å; E291-K316 WeakPolarHBondContact CA-O 3.46Å; E291-K316 HydrophobicContact CG-CB 4.3Å; E291-K316 HydrophobicContact CG-CD 4.39Å; E291-K316 HydrophobicContact CG-CG 4.47Å; E291-K316 WeakPolarHBondContact OE1-CD 3.34Å; E291-K316 IonicContact OE1-NZ 2.7Å; E291-K316 PolarHBondContact OE1-NZ 3.04Å
292	L	98.3	Very high	96.6	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	116.9	176.3	176.1	59.1	0	0	0	109.4	L268 L270 F283 L289 I294 L308 L314 K316 L317 E318	L268-L292 HydrophobicContact CB-CD1 4.17Å; L268-L292 HydrophobicContact CD2-CD1 4.01Å; L268-L292 HydrophobicContact CG-CD1 4.09Å; L270-L292 HydrophobicContact CD1-CD1 4.41Å; F283-L292 HydrophobicContact CD1-CD2 4.35Å; F283-L292 HydrophobicContact CD2-CD2 3.92Å; F283-L292 HydrophobicContact CE1-CD1 3.95Å; F283-L292 HydrophobicContact CE1-CD2 4.21Å; F283-L292 HydrophobicContact CE2-CD2 3.73Å; F283-L292 HydrophobicContact CG-CD2 4.22Å; F283-L292 HydrophobicContact CZ-CD1 3.97Å; F283-L292 HydrophobicContact CZ-CD2 3.9Å; L289-L292 HydrophobicContact CD2-CB 4.32Å; L292-I294 HydrophobicContact CD1-CG2 4.21Å; L292-I294 HydrophobicContact CG-CG2 4.23Å; L292-L308 HydrophobicContact CD2-CD2 4.11Å; L292-L314 HydrophobicContact CB-CD1 4.09Å; L292-K316 PolarHBondContact N-O 2.72Å; L292-L317 HydrophobicContact CB-CD1 3.98Å; L292-L317 HydrophobicContact CD2-CD1 3.9Å; L292-L317 HydrophobicContact CG-CD1 3.92Å; L292-E318 PolarHBondContact O-N 3.41Å; L292-E318 VanDerWaalsContact O-N 3.13Å
293	G	97.4	Very high	96.6	Very high	5 Å²	5	35.8 Å²	35.8	5%	0.052	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	116.5	174.2	0	0	0	0	0	111.5	L268 L270 N271	L268-G293 PolarHBondContact O-N 2.81Å; L270-G293 PolarHBondContact N-O 3.08Å; N271-G293 WeakPolarHBondContact OD1-CA 3.27Å; N271-G293 PolarHBondContact OD1-O 3.47Å
294	I	97.6	Very high	96.5	Very high	4 Å²	4	36.1 Å²	36.1	2%	0.021	18%	0.18	C	C	.	.			trans	-129.8	45.8	175.3	51.3	163.6	0	0	0	110.9	L270 N271 L292 M297 L317 E318 A319 N322	L270-I294 HydrophobicContact CB-CG2 4.35Å; L270-I294 HydrophobicContact CD1-CG2 4.43Å; N271-I294 PolarHBondContact OD1-N 2.74Å; L292-I294 HydrophobicContact CD1-CG2 4.21Å; L292-I294 HydrophobicContact CG-CG2 4.23Å; I294-M297 HydrophobicContact CB-CE 3.25Å; I294-M297 HydrophobicContact CG2-CE 3.58Å; I294-M297 WeakPolarHBondContact O-CE 3.48Å; I294-L317 HydrophobicContact CD1-CD1 3.99Å; I294-L317 HydrophobicContact CG1-CD1 3.92Å; I294-E318 CarbonylContact C-O 3.17Å; I294-E318 WeakPolarHBondContact CA-O 3.27Å; I294-E318 WeakPolarHBondContact CG1-O 3.25Å; I294-E318 PolarHBondContact N-O 3.37Å; I294-A319 HydrophobicContact CD1-CB 3.62Å; I294-A319 HydrophobicContact CG1-CB 3.62Å; I294-N322 PolarHBondContact O-ND2 2.88Å; I294-N322 PolarHBondContact O-OD1 3.25Å
295	N	98.1	Very high	96.4	Very high	6 Å²	6	35.5 Å²	35.5	3%	0.032	18%	0.175	C	C	.	.			trans	-94.1	157.3	-176.5	-53.8	-68.2	0	0	0	113	N271 K272 M297 E318 T320	N271-N295 CarbonylContact C-O 3.53Å; N271-N295 VanDerWaalsContact CA-O 3.25Å; N271-N295 WeakPolarHBondContact CA-O 3.25Å; N271-N295 HydrophobicContact CB-CB 4.49Å; N271-N295 WeakPolarHBondContact OD1-CA 3.25Å; N271-N295 VanDerWaalsContact OD1-CB 3.25Å; N271-N295 WeakPolarHBondContact OD1-CB 3.26Å; N271-N295 PolarHBondContact OD1-N 2.96Å; N271-N295 PolarHBondContact OD1-ND2 3.37Å; K272-N295 PolarHBondContact N-O 3.46Å; N295-M297 PolarHBondContact O-N 2.87Å; N295-E318 WeakPolarHBondContact ND2-CB 3.45Å; N295-E318 PolarHBondContact ND2-OE2 3.37Å; N295-E318 VanDerWaalsContact OD1-C 3.29Å; N295-E318 WeakPolarHBondContact OD1-CB 3.47Å; N295-E318 PolarHBondContact OD1-O 2.99Å; N295-T320 CarbonylContact C-O 3.31Å; N295-T320 WeakPolarHBondContact CA-O 3.2Å; N295-T320 WeakPolarHBondContact OD1-CB 3.11Å; N295-T320 PolarHBondContact OD1-N 3.12Å; N295-T320 PolarHBondContact OD1-OG1 3.15Å
296	N	98	Very high	96.4	Very high	73 Å²	73	33.2 Å²	33.2	39%	0.39	16%	0.16	S	C	.	.	S	Bend	trans	55.5	29.9	173.8	-53	-64.9	0	0	0	114	K272 G298 T320 N321 N322	K272-N296 WeakPolarHBondContact CA-O 3.17Å; N296-G298 PolarHBondContact O-N 3.32Å; N296-T320 PolarHBondContact N-O 3.39Å; N296-N321 WeakPolarHBondContact CA-O 3.46Å; N296-N321 WeakPolarHBondContact OD1-CB 3.38Å; N296-N321 PolarHBondContact OD1-ND2 3.03Å; N296-N321 VanDerWaalsContact OD1-ND2 3.12Å; N296-N322 PolarHBondContact N-OD1 2.99Å; N296-N322 VanDerWaalsContact N-OD1 3.14Å
297	M	97.1	Very high	96.4	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.156	C	C	.	.			trans	-88.1	99	175.6	-67.1	-156	-87.8	0	0	110.2	N273 I275 I294 N295 E299 L300 N322	N273-M297 HydrophobicContact CB-SD 4.47Å; N273-M297 WeakPolarHBondContact O-CB 3.42Å; N273-M297 WeakPolarHBondContact O-CG 3.49Å; I275-M297 HydrophobicContact CB-SD 3.82Å; I275-M297 HydrophobicContact CD1-SD 4.12Å; I275-M297 HydrophobicContact CG1-SD 4.17Å; I294-M297 HydrophobicContact CB-CE 3.25Å; I294-M297 HydrophobicContact CG2-CE 3.58Å; I294-M297 WeakPolarHBondContact O-CE 3.48Å; N295-M297 PolarHBondContact O-N 2.87Å; M297-E299 PolarHBondContact O-N 2.89Å; M297-L300 HydrophobicContact CB-CB 3.7Å; M297-L300 HydrophobicContact CE-CB 4.43Å; M297-L300 HydrophobicContact CE-CD2 3.71Å; M297-L300 HydrophobicContact CE-CG 4.44Å; M297-L300 PolarHBondContact O-N 3.34Å; M297-N322 WeakPolarHBondContact CA-OD1 3.36Å; M297-N322 WeakPolarHBondContact CB-OD1 3.08Å; M297-N322 PolarHBondContact N-OD1 2.95Å
298	G	95	Very high	96.4	Very high	33 Å²	33	28.6 Å²	28.6	34%	0.34	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-19.5	-176.2	0	0	0	0	0	115.2	N296 K324	N296-G298 PolarHBondContact O-N 3.32Å; G298-K324 WeakPolarHBondContact O-CD 3.42Å; G298-K324 VanDerWaalsContact O-CE 3.27Å; G298-K324 WeakPolarHBondContact O-CE 3.39Å; G298-K324 WeakPolarHBondContact O-CG 3.35Å
299	E	94.6	Very high	96.3	Very high	80 Å²	80	23.4 Å²	23.4	37%	0.374	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.7	-3	-177.5	-62.3	-57.8	134.8	0	0	113.5	P274 I275 H276 M297 V301 K324	P274-E299 HydrophobicContact CB-CB 4.33Å; P274-E299 HydrophobicContact CB-CG 4.03Å; I275-E299 CarbonylContact O-C 3.59Å; H276-E299 WeakPolarHBondContact CA-O 3.2Å; M297-E299 PolarHBondContact O-N 2.89Å; E299-V301 PolarHBondContact O-N 3.05Å; E299-K324 IonicContact OE1-NZ 2.65Å; E299-K324 PolarHBondContact OE1-NZ 3.46Å; E299-K324 IonicContact OE2-NZ 3.88Å; E299-K324 PolarHBondContact OE2-NZ 2.97Å
300	L	95.9	Very high	96.3	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.13	C	C	.	.			trans	-71.7	118.5	-178.8	178.6	69.2	0	0	0	110	I275 I278 M297 N322 K324 L325	I275-L300 WeakPolarHBondContact O-CA 3.43Å; I275-L300 WeakPolarHBondContact O-CB 3.47Å; I275-L300 PolarHBondContact O-N 2.85Å; I278-L300 HydrophobicContact CD1-CD1 4.36Å; I278-L300 HydrophobicContact CG1-CD1 4.01Å; M297-L300 HydrophobicContact CB-CB 3.7Å; M297-L300 HydrophobicContact CE-CB 4.43Å; M297-L300 HydrophobicContact CE-CD2 3.71Å; M297-L300 HydrophobicContact CE-CG 4.44Å; M297-L300 PolarHBondContact O-N 3.34Å; L300-N322 HydrophobicContact CD2-CB 4.48Å; L300-K324 CarbonylContact O-C 3.55Å; L300-K324 WeakPolarHBondContact O-CB 3.48Å; L300-L325 HydrophobicContact CD2-CB 4.45Å; L300-L325 HydrophobicContact CD2-CD1 4.18Å; L300-L325 HydrophobicContact CD2-CD2 4.05Å; L300-L325 HydrophobicContact CD2-CG 4.45Å; L300-L325 HydrophobicContact CG-CB 4.48Å; L300-L325 HydrophobicContact CG-CD1 4.21Å; L300-L325 WeakPolarHBondContact O-CA 3.36Å; L300-L325 PolarHBondContact O-N 3.38Å
301	V	93.3	Very high	96.2	Very high	4 Å²	4	22.2 Å²	22.2	2%	0.024	12%	0.115	C	C	.	.			trans	-104	-45.5	-177.5	178.1	0	0	0	0	112.3	H276 E299 K324 L325 S326 Y327 E429	H276-V301 PolarHBondContact O-N 3.3Å; E299-V301 PolarHBondContact O-N 3.05Å; V301-K324 WeakPolarHBondContact CA-O 3.47Å; V301-K324 HydrophobicContact CG2-CB 4.2Å; V301-L325 WeakPolarHBondContact O-CA 3.31Å; V301-S326 PolarHBondContact O-N 2.99Å; V301-Y327 PolarHBondContact O-N 2.88Å; V301-E429 VanDerWaalsContact CG1-O 3.31Å; V301-E429 WeakPolarHBondContact CG1-O 3.49Å
302	S	94.3	Very high	96.2	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.007	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	153.4	-173.5	70.2	0	0	0	0	115	K277 I278 D304 Y327	K277-S302 WeakPolarHBondContact CA-O 3.32Å; I278-S302 PolarHBondContact N-O 2.91Å; S302-D304 PolarHBondContact OG-OD1 3.24Å; S302-Y327 VanDerWaalsContact CA-O 3.29Å; S302-Y327 WeakPolarHBondContact CA-O 3.39Å
303	V	96.1	Very high	96.2	Very high	7 Å²	7	24.3 Å²	24.3	4%	0.042	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	108.5	162.9	-177.7	0	0	0	0	107.4	I278 A307 L308 L325 Y327 I328 H329 A332	I278-V303 HydrophobicContact CB-CG1 4.42Å; I278-V303 HydrophobicContact CB-CG2 4.45Å; I278-V303 HydrophobicContact CG1-CG2 4.44Å; V303-A307 HydrophobicContact CG1-CB 3.6Å; V303-L308 HydrophobicContact CG1-CD1 4.01Å; V303-L325 HydrophobicContact CG2-CD1 4.21Å; V303-Y327 PolarHBondContact N-O 3.45Å; V303-I328 HydrophobicContact CB-CG1 4.28Å; V303-I328 HydrophobicContact CB-CG2 4.41Å; V303-I328 HydrophobicContact CG2-CG1 4.39Å; V303-H329 PolarHBondContact O-N 3.02Å; V303-A332 HydrophobicContact CG1-CB 3.95Å
304	D	94.2	Very high	96.2	Very high	8 Å²	8	24 Å²	24	4%	0.043	13%	0.126	C	C	.	.			trans	-81.3	176.3	-171.3	-68.9	-8.7	0	0	0	111.6	I278 S302 Y306 A307 R448	I278-D304 PolarHBondContact O-N 3.33Å; S302-D304 PolarHBondContact OG-OD1 3.24Å; D304-Y306 PolarHBondContact O-N 2.86Å; D304-A307 VanDerWaalsContact O-CB 3.27Å; D304-A307 WeakPolarHBondContact O-CB 3.33Å; D304-A307 PolarHBondContact O-N 2.76Å; D304-R448 IonicContact OD1-CZ 3.19Å; D304-R448 IonicContact OD1-NE 2.85Å; D304-R448 PolarHBondContact OD1-NE 3.44Å; D304-R448 IonicContact OD1-NH2 3.95Å; D304-R448 PolarHBondContact OD1-NH2 2.87Å; D304-R448 IonicContact OD2-CZ 2.93Å; D304-R448 IonicContact OD2-NH2 2.7Å; D304-R448 PolarHBondContact OD2-NH2 3.14Å
305	R	93.8	Very high	96.3	Very high	82 Å²	82	26.5 Å²	26.5	31%	0.309	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	136.4	178	-178.2	176.2	178.8	-172.6	-2.3	112.1	A307 H329 L331 E481	R305-A307 PolarHBondContact O-N 2.94Å; R305-H329 HydrophobicContact CB-CB 4.47Å; R305-L331 HydrophobicContact CG-CB 4.23Å; R305-E481 VanDerWaalsContact CB-CD 3.47Å; R305-E481 WeakPolarHBondContact CB-OE1 3.35Å; R305-E481 VanDerWaalsContact CB-OE2 3.28Å; R305-E481 WeakPolarHBondContact CB-OE2 3.47Å; R305-E481 WeakPolarHBondContact CD-OE1 3.3Å; R305-E481 PolarHBondContact N-OE2 3.26Å
306	Y	95.1	Very high	96.3	Very high	39 Å²	39	29.2 Å²	29.2	15%	0.153	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	24.2	177.8	-51.1	-34.9	0	0	0	114.8	D304 L308 L331 R334	D304-Y306 PolarHBondContact O-N 2.86Å; Y306-L308 PolarHBondContact O-N 2.95Å; Y306-L331 HydrophobicContact CD1-CB 4.35Å; Y306-L331 WeakPolarHBondContact CD1-O 3.34Å; Y306-L331 HydrophobicContact CE1-CB 3.88Å; Y306-L331 HydrophobicContact CE1-CD1 4.31Å; Y306-L331 PolarHBondContact N-O 2.82Å; Y306-R334 HydrophobicContact CD1-CB 3.85Å; Y306-R334 HydrophobicContact CD1-CG 4.34Å; Y306-R334 HydrophobicContact CE1-CB 4.31Å; Y306-R334 HydrophobicContact CE1-CG 4.44Å
307	A	96.3	Very high	96.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.136	C	C	.	.	S	Bend	trans	-56.7	-39.5	173.1	0	0	0	0	0	112.3	I278 V303 D304 R305 A332	I278-A307 HydrophobicContact CB-CB 4.38Å; I278-A307 HydrophobicContact CG2-CB 3.78Å; V303-A307 HydrophobicContact CG1-CB 3.6Å; D304-A307 VanDerWaalsContact O-CB 3.27Å; D304-A307 WeakPolarHBondContact O-CB 3.33Å; D304-A307 PolarHBondContact O-N 2.76Å; R305-A307 PolarHBondContact O-N 2.94Å; A307-A332 PolarHBondContact N-O 3.05Å
308	L	96.8	Very high	96.3	Very high	3 Å²	3	28.2 Å²	28.2	2%	0.016	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	90.9	174.7	-67.9	99.8	0	0	0	109.4	F283 L292 V303 Y306 L311 L314 L317 A332 F333 R334 V336	F283-L308 HydrophobicContact CD2-CG 4.47Å; L292-L308 HydrophobicContact CD2-CD2 4.11Å; V303-L308 HydrophobicContact CG1-CD1 4.01Å; Y306-L308 PolarHBondContact O-N 2.95Å; L308-L311 HydrophobicContact CB-CD1 3.87Å; L308-L311 HydrophobicContact CD2-CD1 3.88Å; L308-L311 HydrophobicContact CG-CD1 4.19Å; L308-L314 HydrophobicContact CD2-CD2 3.85Å; L308-L317 HydrophobicContact CD2-CD1 4.5Å; L308-L317 HydrophobicContact CD2-CD2 3.99Å; L308-A332 PolarHBondContact N-O 3.01Å; L308-F333 HydrophobicContact CB-CD1 4.05Å; L308-F333 HydrophobicContact CB-CE1 4.48Å; L308-F333 HydrophobicContact CD1-CD1 4.24Å; L308-F333 HydrophobicContact CD1-CE1 3.91Å; L308-F333 HydrophobicContact CD1-CZ 4.48Å; L308-F333 HydrophobicContact CD2-CD1 4.35Å; L308-F333 HydrophobicContact CD2-CE1 4.09Å; L308-F333 HydrophobicContact CG-CD1 4.45Å; L308-F333 HydrophobicContact CG-CE1 4.39Å; L308-R334 PolarHBondContact O-N 2.69Å; L308-V336 HydrophobicContact CB-CG2 4.37Å; L308-V336 WeakPolarHBondContact O-CG2 3.43Å
309	D	96.4	Very high	96.4	Very high	13 Å²	13	26.7 Å²	26.7	7%	0.07	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	127	-176.5	-174	25.9	0	0	0	112.5	K284 N285 R334	K284-D309 WeakPolarHBondContact CA-O 3.26Å; N285-D309 PolarHBondContact N-O 2.82Å; N285-D309 VanDerWaalsContact N-O 3.08Å; D309-R334 WeakPolarHBondContact CA-O 3.29Å; D309-R334 HydrophobicContact CB-CB 4.49Å; D309-R334 WeakPolarHBondContact OD1-CD 3.22Å; D309-R334 WeakPolarHBondContact OD1-CG 3.3Å
310	N	97	Very high	96.5	Very high	49 Å²	49	23.9 Å²	23.9	26%	0.262	12%	0.119	S	C	.	.	S	Bend	trans	60.1	61.5	176.8	-166.1	32.5	0	0	0	113.4	N285 P312 R334	N285-N310 PolarHBondContact OD1-ND2 3.28Å; N310-P312 VanDerWaalsContact C-CD 3.46Å; N310-P312 VanDerWaalsContact O-CD 3.3Å; N310-P312 WeakPolarHBondContact O-CD 3.3Å; N310-R334 PolarHBondContact N-O 2.84Å
311	L	97.7	Very high	96.6	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.135	C	C	.	.			trans	-118.5	73.6	179.3	-62	178.2	0	0	0	110	F283 M286 L289 L308 E313 L314 N335 V336	F283-L311 HydrophobicContact CB-CD1 4.29Å; F283-L311 VanDerWaalsContact O-CD2 3.28Å; F283-L311 WeakPolarHBondContact O-CD2 3.42Å; M286-L311 HydrophobicContact CB-CD2 3.57Å; M286-L311 HydrophobicContact CG-CD2 4.41Å; M286-L311 WeakPolarHBondContact O-CD2 3.38Å; L289-L311 HydrophobicContact CD2-CD2 4.43Å; L308-L311 HydrophobicContact CB-CD1 3.87Å; L308-L311 HydrophobicContact CD2-CD1 3.88Å; L308-L311 HydrophobicContact CG-CD1 4.19Å; L311-E313 VanDerWaalsContact C-N 3.33Å; L311-E313 PolarHBondContact O-N 3.12Å; L311-L314 HydrophobicContact CB-CB 3.93Å; L311-L314 HydrophobicContact CB-CD2 4.48Å; L311-L314 HydrophobicContact CD1-CD2 3.94Å; L311-L314 PolarHBondContact O-N 2.85Å; L311-N335 PolarHBondContact N-O 3.3Å; L311-N335 VanDerWaalsContact N-O 3.1Å; L311-V336 HydrophobicContact CB-CG1 4.26Å; L311-V336 HydrophobicContact CB-CG2 4.28Å
312	P	97.6	Very high	96.8	Very high	50 Å²	50	26.8 Å²	26.8	33%	0.325	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-24.6	-171.3	28.3	-36.4	0	0	0	114.7	L287 N310 A338	L287-P312 HydrophobicContact CB-CG 4.45Å; L287-P312 HydrophobicContact CD2-CG 4.24Å; L287-P312 WeakPolarHBondContact O-CG 3.46Å; N310-P312 VanDerWaalsContact C-CD 3.46Å; N310-P312 VanDerWaalsContact O-CD 3.3Å; N310-P312 WeakPolarHBondContact O-CD 3.3Å; P312-A338 WeakPolarHBondContact O-CB 3.44Å
313	E	98.1	Very high	96.8	Very high	53 Å²	53	30.7 Å²	30.7	25%	0.248	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101	-0.3	-179.6	-69.4	-168.7	-151.3	0	0	113.7	L287 R288 L289 K290 L311 T315	L287-E313 WeakPolarHBondContact O-CG 3.33Å; R288-E313 WeakPolarHBondContact CD-OE1 3.46Å; R288-E313 IonicContact CZ-OE1 2.67Å; R288-E313 IonicContact NE-OE1 3.07Å; R288-E313 IonicContact NH1-OE1 2.67Å; R288-E313 PolarHBondContact NH1-OE1 3.36Å; L289-E313 CarbonylContact O-C 3.24Å; K290-E313 WeakPolarHBondContact CA-O 2.94Å; K290-E313 WeakPolarHBondContact CE-OE2 3.14Å; K290-E313 HydrophobicContact CG-CB 4.33Å; K290-E313 IonicContact NZ-OE2 3.49Å; L311-E313 VanDerWaalsContact C-N 3.33Å; L311-E313 PolarHBondContact O-N 3.12Å; E313-T315 PolarHBondContact O-N 3.13Å; E313-T315 VanDerWaalsContact O-N 3.13Å
314	L	98.4	Very high	96.8	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.171	C	C	.	.			trans	-70.2	112.2	-176	-174.4	77.3	0	0	0	109.6	L289 L292 L308 L311 V336 A338 L339	L289-L314 HydrophobicContact CD2-CD1 4.19Å; L289-L314 HydrophobicContact CG-CD1 4.11Å; L289-L314 WeakPolarHBondContact O-CA 3.14Å; L289-L314 PolarHBondContact O-N 2.77Å; L292-L314 HydrophobicContact CB-CD1 4.09Å; L308-L314 HydrophobicContact CD2-CD2 3.85Å; L311-L314 HydrophobicContact CB-CB 3.93Å; L311-L314 HydrophobicContact CB-CD2 4.48Å; L311-L314 HydrophobicContact CD1-CD2 3.94Å; L311-L314 PolarHBondContact O-N 2.85Å; L314-V336 HydrophobicContact CB-CG1 4.09Å; L314-V336 HydrophobicContact CD2-CG1 3.87Å; L314-V336 HydrophobicContact CG-CG1 4.49Å; L314-A338 CarbonylContact O-C 3.03Å; L314-L339 HydrophobicContact CD2-CD1 3.98Å; L314-L339 HydrophobicContact CG-CD1 3.97Å; L314-L339 WeakPolarHBondContact O-CA 3.47Å; L314-L339 PolarHBondContact O-N 3.49Å
315	T	98.1	Very high	96.9	Very high	56 Å²	56	32.9 Å²	32.9	34%	0.344	17%	0.169	S	C	.	.			trans	-101.2	-27.6	-178.1	56.3	0	0	0	0	112.7	K290 E313 A338 E340 S341	K290-T315 PolarHBondContact O-N 2.77Å; K290-T315 PolarHBondContact O-OG1 3.46Å; E313-T315 PolarHBondContact O-N 3.13Å; E313-T315 VanDerWaalsContact O-N 3.13Å; T315-A338 HydrophobicContact CG2-CB 4.49Å; T315-E340 PolarHBondContact O-N 3.23Å; T315-S341 PolarHBondContact O-N 3.18Å; T315-S341 VanDerWaalsContact O-N 3.12Å
316	K	98	Very high	96.9	Very high	62 Å²	62	29.1 Å²	29.1	27%	0.27	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	128.1	-173.9	-172.9	174.8	173.2	-139.1	0	111.8	K290 E291 L292 E318	K290-K316 PolarHBondContact O-N 3.45Å; K290-K316 VanDerWaalsContact O-N 3.12Å; E291-K316 WeakPolarHBondContact CA-O 3.46Å; E291-K316 HydrophobicContact CG-CB 4.3Å; E291-K316 HydrophobicContact CG-CD 4.39Å; E291-K316 HydrophobicContact CG-CG 4.47Å; E291-K316 WeakPolarHBondContact OE1-CD 3.34Å; E291-K316 IonicContact OE1-NZ 2.7Å; E291-K316 PolarHBondContact OE1-NZ 3.04Å; L292-K316 PolarHBondContact N-O 2.72Å; K316-E318 WeakPolarHBondContact CE-OE1 3.44Å; K316-E318 HydrophobicContact CG-CG 4.26Å; K316-E318 IonicContact NZ-OE1 3.47Å; K316-E318 PolarHBondContact NZ-OE1 3.23Å
317	L	97.8	Very high	96.8	Very high	4 Å²	4	28 Å²	28	2%	0.021	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	121	171.6	175.9	61.1	0	0	0	109.5	L292 I294 L308 F333 L339 S341 L342 M343	L292-L317 HydrophobicContact CB-CD1 3.98Å; L292-L317 HydrophobicContact CD2-CD1 3.9Å; L292-L317 HydrophobicContact CG-CD1 3.92Å; I294-L317 HydrophobicContact CD1-CD1 3.99Å; I294-L317 HydrophobicContact CG1-CD1 3.92Å; L308-L317 HydrophobicContact CD2-CD1 4.5Å; L308-L317 HydrophobicContact CD2-CD2 3.99Å; L317-F333 HydrophobicContact CD2-CE1 3.52Å; L317-F333 HydrophobicContact CD2-CZ 3.81Å; L317-L339 HydrophobicContact CB-CD1 4.02Å; L317-S341 PolarHBondContact N-O 2.96Å; L317-L342 HydrophobicContact CB-CD1 4.14Å; L317-L342 HydrophobicContact CD2-CD1 3.81Å; L317-L342 HydrophobicContact CG-CD1 4.12Å; L317-M343 PolarHBondContact O-N 3.07Å
318	E	97	Very high	96.8	Very high	48 Å²	48	28.3 Å²	28.3	22%	0.224	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	112.4	175.7	-59.1	-172.7	154.4	0	0	110.8	L292 I294 N295 K316 M343	L292-E318 PolarHBondContact O-N 3.41Å; L292-E318 VanDerWaalsContact O-N 3.13Å; I294-E318 CarbonylContact C-O 3.17Å; I294-E318 WeakPolarHBondContact CA-O 3.27Å; I294-E318 WeakPolarHBondContact CG1-O 3.25Å; I294-E318 PolarHBondContact N-O 3.37Å; N295-E318 WeakPolarHBondContact ND2-CB 3.45Å; N295-E318 PolarHBondContact ND2-OE2 3.37Å; N295-E318 VanDerWaalsContact OD1-C 3.29Å; N295-E318 WeakPolarHBondContact OD1-CB 3.47Å; N295-E318 PolarHBondContact OD1-O 2.99Å; K316-E318 WeakPolarHBondContact CE-OE1 3.44Å; K316-E318 HydrophobicContact CG-CG 4.26Å; K316-E318 IonicContact NZ-OE1 3.47Å; K316-E318 PolarHBondContact NZ-OE1 3.23Å; E318-M343 HydrophobicContact CG-CG 4.48Å
319	A	97.3	Very high	96.6	Very high	2 Å²	2	28.7 Å²	28.7	2%	0.017	15%	0.154	C	C	.	.			trans	-125.8	65.1	172.5	0	0	0	0	0	109.3	I294 N322 L325 M343 L344 N347	I294-A319 HydrophobicContact CD1-CB 3.62Å; I294-A319 HydrophobicContact CG1-CB 3.62Å; A319-N322 VanDerWaalsContact C-ND2 3.26Å; A319-N322 PolarHBondContact O-ND2 3.09Å; A319-L325 HydrophobicContact CB-CD2 4.18Å; A319-M343 CarbonylContact C-O 3.09Å; A319-M343 PolarHBondContact N-O 3.05Å; A319-L344 HydrophobicContact CB-CD2 3.94Å; A319-N347 PolarHBondContact O-ND2 2.86Å; A319-N347 PolarHBondContact O-OD1 3.29Å
320	T	97.6	Very high	96.5	Very high	21 Å²	21	30.3 Å²	30.3	13%	0.129	16%	0.159	C	C	.	.			trans	-105.6	154.5	-175.6	69.3	0	0	0	0	112.3	N295 N296 N322 M343 N345	N295-T320 CarbonylContact C-O 3.31Å; N295-T320 WeakPolarHBondContact CA-O 3.2Å; N295-T320 WeakPolarHBondContact OD1-CB 3.11Å; N295-T320 PolarHBondContact OD1-N 3.12Å; N295-T320 PolarHBondContact OD1-OG1 3.15Å; N296-T320 PolarHBondContact N-O 3.39Å; T320-N322 VanDerWaalsContact C-N 3.29Å; T320-N322 PolarHBondContact O-N 3.14Å; T320-M343 HydrophobicContact CG2-CB 3.63Å; T320-N345 WeakPolarHBondContact CA-O 3.19Å; T320-N345 VanDerWaalsContact CG2-OD1 3.26Å; T320-N345 WeakPolarHBondContact CG2-OD1 3.1Å
321	N	97.6	Very high	96.4	Very high	64 Å²	64	29.9 Å²	29.9	34%	0.342	16%	0.156	S	C	.	.	S	Bend	trans	58	37	177.3	-58.2	-23.5	0	0	0	113.7	N296 P323 N345 N346	N296-N321 WeakPolarHBondContact CA-O 3.46Å; N296-N321 WeakPolarHBondContact OD1-CB 3.38Å; N296-N321 PolarHBondContact OD1-ND2 3.03Å; N296-N321 VanDerWaalsContact OD1-ND2 3.12Å; N321-P323 VanDerWaalsContact O-CD 3.24Å; N321-P323 WeakPolarHBondContact O-CD 3.46Å; N321-N345 PolarHBondContact N-O 3.12Å; N321-N346 CarbonylContact C-O 3.55Å; N321-N346 WeakPolarHBondContact CA-O 3.46Å; N321-N346 PolarHBondContact N-O 2.91Å; N321-N346 WeakPolarHBondContact OD1-CB 3.27Å; N321-N346 PolarHBondContact OD1-ND2 3.49Å
322	N	97.7	Very high	96.3	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.156	C	C	.	.			trans	-102.4	92	175	-55.7	-49.9	0	0	0	108.9	I294 N296 M297 L300 A319 T320 K324 L325 N346 N347	I294-N322 PolarHBondContact O-ND2 2.88Å; I294-N322 PolarHBondContact O-OD1 3.25Å; N296-N322 PolarHBondContact N-OD1 2.99Å; N296-N322 VanDerWaalsContact N-OD1 3.14Å; M297-N322 WeakPolarHBondContact CA-OD1 3.36Å; M297-N322 WeakPolarHBondContact CB-OD1 3.08Å; M297-N322 PolarHBondContact N-OD1 2.95Å; L300-N322 HydrophobicContact CD2-CB 4.48Å; A319-N322 VanDerWaalsContact C-ND2 3.26Å; A319-N322 PolarHBondContact O-ND2 3.09Å; T320-N322 VanDerWaalsContact C-N 3.29Å; T320-N322 PolarHBondContact O-N 3.14Å; N322-K324 PolarHBondContact O-N 3.12Å; N322-L325 HydrophobicContact CB-CB 3.6Å; N322-L325 HydrophobicContact CB-CD2 4.24Å; N322-L325 PolarHBondContact O-N 3.3Å; N322-N346 PolarHBondContact N-O 3.03Å; N322-N347 VanDerWaalsContact CA-OD1 3.32Å; N322-N347 WeakPolarHBondContact CA-OD1 3.38Å; N322-N347 WeakPolarHBondContact CB-OD1 3.35Å; N322-N347 PolarHBondContact N-OD1 3Å; N322-N347 WeakPolarHBondContact O-CA 3.45Å; N322-N347 PolarHBondContact O-OD1 3.2Å
323	P	95.1	Very high	96.3	Very high	84 Å²	84	28.1 Å²	28.1	55%	0.545	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-16.2	-166.8	26.9	-37.1	0	0	0	114.7	N321 A348	N321-P323 VanDerWaalsContact O-CD 3.24Å; N321-P323 WeakPolarHBondContact O-CD 3.46Å; P323-A348 WeakPolarHBondContact O-CB 3.21Å
324	K	94.8	Very high	96.1	Very high	61 Å²	61	30.9 Å²	30.9	27%	0.265	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-6.5	175.9	-62	-171.7	-166	175.1	0	113.5	G298 E299 L300 V301 N322 S326 E429	G298-K324 WeakPolarHBondContact O-CD 3.42Å; G298-K324 VanDerWaalsContact O-CE 3.27Å; G298-K324 WeakPolarHBondContact O-CE 3.39Å; G298-K324 WeakPolarHBondContact O-CG 3.35Å; E299-K324 IonicContact OE1-NZ 2.65Å; E299-K324 PolarHBondContact OE1-NZ 3.46Å; E299-K324 IonicContact OE2-NZ 3.88Å; E299-K324 PolarHBondContact OE2-NZ 2.97Å; L300-K324 CarbonylContact O-C 3.55Å; L300-K324 WeakPolarHBondContact O-CB 3.48Å; V301-K324 WeakPolarHBondContact CA-O 3.47Å; V301-K324 HydrophobicContact CG2-CB 4.2Å; N322-K324 PolarHBondContact O-N 3.12Å; K324-S326 WeakPolarHBondContact O-CB 3.49Å; K324-S326 PolarHBondContact O-N 3.08Å; K324-S326 PolarHBondContact O-OG 2.95Å; K324-E429 HydrophobicContact CB-CB 4.47Å
325	L	96	Very high	96	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.177	C	C	.	.			trans	-71.7	100.9	-175.3	172.9	60.1	0	0	0	108.5	L300 V301 V303 A319 N322 N347 A348 L349	L300-L325 HydrophobicContact CD2-CB 4.45Å; L300-L325 HydrophobicContact CD2-CD1 4.18Å; L300-L325 HydrophobicContact CD2-CD2 4.05Å; L300-L325 HydrophobicContact CD2-CG 4.45Å; L300-L325 HydrophobicContact CG-CB 4.48Å; L300-L325 HydrophobicContact CG-CD1 4.21Å; L300-L325 WeakPolarHBondContact O-CA 3.36Å; L300-L325 PolarHBondContact O-N 3.38Å; V301-L325 WeakPolarHBondContact O-CA 3.31Å; V303-L325 HydrophobicContact CG2-CD1 4.21Å; A319-L325 HydrophobicContact CB-CD2 4.18Å; N322-L325 HydrophobicContact CB-CB 3.6Å; N322-L325 HydrophobicContact CB-CD2 4.24Å; N322-L325 PolarHBondContact O-N 3.3Å; L325-N347 HydrophobicContact CB-CB 4.19Å; L325-A348 CarbonylContact O-C 3.55Å; L325-A348 WeakPolarHBondContact O-CA 3.49Å; L325-A348 PolarHBondContact O-N 3.47Å; L325-L349 HydrophobicContact CG-CD2 4.16Å; L325-L349 PolarHBondContact O-N 3.04Å; L325-L349 VanDerWaalsContact O-N 3.17Å
326	S	93.7	Very high	96	Very high	3 Å²	3	33.1 Å²	33.1	2%	0.021	16%	0.162	C	C	.	.			trans	-122.7	-7.4	-165.9	69.1	0	0	0	0	113.2	V301 K324 A348 S427	V301-S326 PolarHBondContact O-N 2.99Å; K324-S326 WeakPolarHBondContact O-CB 3.49Å; K324-S326 PolarHBondContact O-N 3.08Å; K324-S326 PolarHBondContact O-OG 2.95Å; S326-A348 WeakPolarHBondContact CA-O 3.48Å; S326-A348 WeakPolarHBondContact CB-O 3.3Å; S326-S427 WeakPolarHBondContact CB-OG 3.41Å; S326-S427 PolarHBondContact O-OG 2.93Å; S326-S427 PolarHBondContact OG-OG 3.45Å
327	Y	94.1	Very high	95.9	Very high	15 Å²	15	32.7 Å²	32.7	6%	0.059	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	133.4	178.9	-176.1	-98.3	0	0	0	113.1	V301 S302 V303 H329 R448 A449 M450	V301-Y327 PolarHBondContact O-N 2.88Å; S302-Y327 VanDerWaalsContact CA-O 3.29Å; S302-Y327 WeakPolarHBondContact CA-O 3.39Å; V303-Y327 PolarHBondContact N-O 3.45Å; Y327-H329 HydrophobicContact CE1-CB 3.87Å; Y327-H329 PolarHBondContact OH-CD2 2.97Å; Y327-R448 HydrophobicContact CD1-CB 3.73Å; Y327-R448 HydrophobicContact CD1-CG 3.81Å; Y327-R448 HydrophobicContact CD2-CB 3.8Å; Y327-R448 HydrophobicContact CE1-CB 4.15Å; Y327-R448 HydrophobicContact CE1-CG 4.26Å; Y327-R448 HydrophobicContact CE2-CB 4.2Å; Y327-R448 HydrophobicContact CG-CB 3.53Å; Y327-R448 HydrophobicContact CG-CG 4.07Å; Y327-A449 WeakPolarHBondContact CE2-O 3.41Å; Y327-M450 HydrophobicContact CD2-CG 3.7Å; Y327-M450 HydrophobicContact CD2-SD 4.31Å; Y327-M450 HydrophobicContact CE2-CG 3.72Å
328	I	95.3	Very high	95.9	Very high	7 Å²	7	33.7 Å²	33.7	4%	0.036	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	121.6	167.6	-62.9	172.1	0	0	0	107.3	V303 A332 F333 L344 L349	V303-I328 HydrophobicContact CB-CG1 4.28Å; V303-I328 HydrophobicContact CB-CG2 4.41Å; V303-I328 HydrophobicContact CG2-CG1 4.39Å; I328-A332 HydrophobicContact CG2-CB 3.9Å; I328-F333 HydrophobicContact CG2-CE2 4.32Å; I328-L344 HydrophobicContact CD1-CD1 3.81Å; I328-L344 HydrophobicContact CD1-CD2 3.77Å; I328-L344 HydrophobicContact CD1-CG 4.42Å; I328-L349 HydrophobicContact CD1-CD1 3.95Å; I328-L349 HydrophobicContact CD1-CD2 3.97Å; I328-L349 HydrophobicContact CG1-CD2 3.9Å
329	H	94.5	Very high	96	Very high	11 Å²	11	31.4 Å²	31.4	5%	0.051	16%	0.163	C	C	.	.			trans	-62.8	143.1	179.8	-169.2	-87.1	0	0	0	111.1	V303 R305 Y327 L331 A332 E454 E481	V303-H329 PolarHBondContact O-N 3.02Å; R305-H329 HydrophobicContact CB-CB 4.47Å; Y327-H329 HydrophobicContact CE1-CB 3.87Å; Y327-H329 PolarHBondContact OH-CD2 2.97Å; H329-L331 PolarHBondContact ND1-N 3.02Å; H329-L331 PolarHBondContact O-N 3.31Å; H329-A332 HydrophobicContact CB-CB 4.38Å; H329-A332 WeakPolarHBondContact O-CB 3.47Å; H329-A332 PolarHBondContact O-N 3.15Å; H329-E454 IonicContact NE2-OE1 3.12Å; H329-E481 IonicContact CD2-OE2 3.83Å; H329-E481 PolarHBondContact CD2-OE2 3.44Å; H329-E481 IonicContact CG-OE2 2.79Å; H329-E481 IonicContact NE2-OE2 3.42Å
330	R	93.3	Very high	95.9	Very high	46 Å²	46	34.5 Å²	34.5	17%	0.174	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-15.8	-176.9	78.4	-172.3	-159	138.5	-4	115.1	Y353 T356 E454	R330-Y353 HydrophobicContact CB-CD1 4.25Å; R330-Y353 HydrophobicContact CB-CD2 3.56Å; R330-Y353 HydrophobicContact CB-CE2 4.05Å; R330-Y353 HydrophobicContact CB-CG 3.67Å; R330-T356 WeakPolarHBondContact CA-OG1 3.13Å; R330-E454 IonicContact CZ-OE2 2.81Å; R330-E454 IonicContact NE-OE2 3.16Å; R330-E454 PolarHBondContact NE-OE2 3.13Å; R330-E454 IonicContact NH2-OE2 2.83Å; R330-E454 PolarHBondContact NH2-OE2 3.04Å
331	L	94.3	Very high	95.9	Very high	41 Å²	41	34 Å²	34	22%	0.215	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.5	25	175.6	-58.3	178.5	0	0	0	111.6	R305 Y306 H329 F333 K355	R305-L331 HydrophobicContact CG-CB 4.23Å; Y306-L331 HydrophobicContact CD1-CB 4.35Å; Y306-L331 WeakPolarHBondContact CD1-O 3.34Å; Y306-L331 HydrophobicContact CE1-CB 3.88Å; Y306-L331 HydrophobicContact CE1-CD1 4.31Å; Y306-L331 PolarHBondContact N-O 2.82Å; H329-L331 PolarHBondContact ND1-N 3.02Å; H329-L331 PolarHBondContact O-N 3.31Å; L331-F333 PolarHBondContact O-N 2.87Å; L331-K355 HydrophobicContact CD2-CD 4.32Å
332	A	96.5	Very high	95.9	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.158	C	C	.	.	S	Bend	trans	-58.9	-35.8	178	0	0	0	0	0	112.2	V303 A307 L308 I328 H329	V303-A332 HydrophobicContact CG1-CB 3.95Å; A307-A332 PolarHBondContact N-O 3.05Å; L308-A332 PolarHBondContact N-O 3.01Å; I328-A332 HydrophobicContact CG2-CB 3.9Å; H329-A332 HydrophobicContact CB-CB 4.38Å; H329-A332 WeakPolarHBondContact O-CB 3.47Å; H329-A332 PolarHBondContact O-N 3.15Å
333	F	96.4	Very high	95.9	Very high	12 Å²	12	32 Å²	32	5%	0.053	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	122.4	178.9	-54.1	-86.7	0	0	0	110.5	L308 L317 I328 L331 V336 L339 L342 T356 L360	L308-F333 HydrophobicContact CB-CD1 4.05Å; L308-F333 HydrophobicContact CB-CE1 4.48Å; L308-F333 HydrophobicContact CD1-CD1 4.24Å; L308-F333 HydrophobicContact CD1-CE1 3.91Å; L308-F333 HydrophobicContact CD1-CZ 4.48Å; L308-F333 HydrophobicContact CD2-CD1 4.35Å; L308-F333 HydrophobicContact CD2-CE1 4.09Å; L308-F333 HydrophobicContact CG-CD1 4.45Å; L308-F333 HydrophobicContact CG-CE1 4.39Å; L317-F333 HydrophobicContact CD2-CE1 3.52Å; L317-F333 HydrophobicContact CD2-CZ 3.81Å; I328-F333 HydrophobicContact CG2-CE2 4.32Å; L331-F333 PolarHBondContact O-N 2.87Å; F333-V336 HydrophobicContact CB-CG2 4.19Å; F333-V336 HydrophobicContact CD1-CG2 4.43Å; F333-L339 HydrophobicContact CE1-CD2 4.42Å; F333-L342 HydrophobicContact CZ-CD1 4.26Å; F333-T356 HydrophobicContact CD2-CG2 3.58Å; F333-T356 HydrophobicContact CE2-CG2 3.55Å; F333-L360 HydrophobicContact CB-CD2 3.96Å; F333-L360 HydrophobicContact CD1-CD2 4.27Å; F333-L360 HydrophobicContact CG-CD2 4.1Å
334	R	95.6	Very high	96.1	Very high	112 Å²	112	28.1 Å²	28.1	42%	0.423	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	127.2	174.3	-175.4	-179.4	-175.6	-173	0.2	109.5	Y306 L308 D309 N310 V336	Y306-R334 HydrophobicContact CD1-CB 3.85Å; Y306-R334 HydrophobicContact CD1-CG 4.34Å; Y306-R334 HydrophobicContact CE1-CB 4.31Å; Y306-R334 HydrophobicContact CE1-CG 4.44Å; L308-R334 PolarHBondContact O-N 2.69Å; D309-R334 WeakPolarHBondContact CA-O 3.29Å; D309-R334 HydrophobicContact CB-CB 4.49Å; D309-R334 WeakPolarHBondContact OD1-CD 3.22Å; D309-R334 WeakPolarHBondContact OD1-CG 3.3Å; N310-R334 PolarHBondContact N-O 2.84Å; R334-V336 PolarHBondContact O-N 2.78Å
335	N	95.9	Very high	96.2	Very high	101 Å²	101	26.3 Å²	26.3	54%	0.54	13%	0.131	S	C	.	.	S	Bend	trans	54	50.9	-178.4	-58.3	-28.9	0	0	0	112.6	L311 P337	L311-N335 PolarHBondContact N-O 3.3Å; L311-N335 VanDerWaalsContact N-O 3.1Å; N335-P337 WeakPolarHBondContact O-CD 3.49Å
336	V	97.3	Very high	96.2	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.012	15%	0.147	C	C	.	.			trans	-116.3	62.8	175.6	-164.6	0	0	0	0	110.1	L308 L311 L314 F333 R334 A338 L339 L360	L308-V336 HydrophobicContact CB-CG2 4.37Å; L308-V336 WeakPolarHBondContact O-CG2 3.43Å; L311-V336 HydrophobicContact CB-CG1 4.26Å; L311-V336 HydrophobicContact CB-CG2 4.28Å; L314-V336 HydrophobicContact CB-CG1 4.09Å; L314-V336 HydrophobicContact CD2-CG1 3.87Å; L314-V336 HydrophobicContact CG-CG1 4.49Å; F333-V336 HydrophobicContact CB-CG2 4.19Å; F333-V336 HydrophobicContact CD1-CG2 4.43Å; R334-V336 PolarHBondContact O-N 2.78Å; V336-A338 PolarHBondContact O-N 3.16Å; V336-L339 HydrophobicContact CG1-CB 4.04Å; V336-L360 HydrophobicContact CB-CD2 4.13Å
337	P	96.7	Very high	96.4	Very high	53 Å²	53	29.7 Å²	29.7	34%	0.344	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-27.4	-168.9	29.6	-38.3	0	0	0	114.3	N335 P361 N362	N335-P337 WeakPolarHBondContact O-CD 3.49Å; P337-P361 HydrophobicContact CB-CG 4.34Å; P337-N362 WeakPolarHBondContact O-CB 3.46Å; P337-N362 PolarHBondContact O-ND2 3.09Å
338	A	97.8	Very high	96.4	Very high	25 Å²	25	29.8 Å²	29.8	21%	0.207	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-0.4	-172.3	0	0	0	0	0	114.6	P312 L314 T315 V336 E340	P312-A338 WeakPolarHBondContact O-CB 3.44Å; L314-A338 CarbonylContact O-C 3.03Å; T315-A338 HydrophobicContact CG2-CB 4.49Å; V336-A338 PolarHBondContact O-N 3.16Å; A338-E340 WeakPolarHBondContact O-CG 3.43Å; A338-E340 PolarHBondContact O-N 3.37Å; A338-E340 VanDerWaalsContact O-N 3.15Å
339	L	97.9	Very high	96.4	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.152	C	C	.	.			trans	-66.7	117.1	-174.4	-166.5	71.6	0	0	0	110.2	L314 L317 F333 V336 L342 L360 N362 L363	L314-L339 HydrophobicContact CD2-CD1 3.98Å; L314-L339 HydrophobicContact CG-CD1 3.97Å; L314-L339 WeakPolarHBondContact O-CA 3.47Å; L314-L339 PolarHBondContact O-N 3.49Å; L317-L339 HydrophobicContact CB-CD1 4.02Å; F333-L339 HydrophobicContact CE1-CD2 4.42Å; V336-L339 HydrophobicContact CG1-CB 4.04Å; L339-L342 HydrophobicContact CD2-CB 4.44Å; L339-L360 HydrophobicContact CB-CD2 4.18Å; L339-L360 HydrophobicContact CD2-CD1 3.85Å; L339-L360 HydrophobicContact CD2-CD2 3.81Å; L339-L360 HydrophobicContact CD2-CG 4.41Å; L339-N362 CarbonylContact O-C 3.56Å; L339-N362 VanDerWaalsContact O-C 3.27Å; L339-L363 HydrophobicContact CD2-CD1 4.44Å; L339-L363 HydrophobicContact CG-CD1 4.38Å; L339-L363 VanDerWaalsContact O-CA 3.26Å; L339-L363 WeakPolarHBondContact O-CA 3.29Å; L339-L363 PolarHBondContact O-N 3.18Å
340	E	96.8	Very high	96.3	Very high	66 Å²	66	29.7 Å²	29.7	31%	0.308	15%	0.153	S	C	.	.			trans	-103	-33.2	-179	-57	-164.9	157	0	0	111.7	T315 A338 R364 E365	T315-E340 PolarHBondContact O-N 3.23Å; A338-E340 WeakPolarHBondContact O-CG 3.43Å; A338-E340 PolarHBondContact O-N 3.37Å; A338-E340 VanDerWaalsContact O-N 3.15Å; E340-R364 HydrophobicContact CB-CG 4.48Å; E340-R364 VanDerWaalsContact CD-CZ 3.44Å; E340-R364 PolarHBondContact O-N 3.43Å; E340-R364 IonicContact OE1-CZ 2.65Å; E340-R364 IonicContact OE1-NE 3.81Å; E340-R364 IonicContact OE1-NH1 3.09Å; E340-R364 PolarHBondContact OE1-NH1 2.9Å; E340-R364 VanDerWaalsContact OE1-NH1 3.16Å; E340-R364 IonicContact OE1-NH2 3.55Å; E340-R364 PolarHBondContact OE1-NH2 3.22Å; E340-R364 IonicContact OE2-CZ 2.73Å; E340-R364 IonicContact OE2-NH1 3.41Å; E340-R364 PolarHBondContact OE2-NH1 3.38Å; E340-R364 IonicContact OE2-NH2 3.61Å; E340-E365 PolarHBondContact O-N 3.06Å
341	S	97.4	Very high	96.3	Very high	10 Å²	10	27.7 Å²	27.7	7%	0.07	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	121.5	-173.5	-173.9	0	0	0	0	111.4	T315 L317 M343 E365	T315-S341 PolarHBondContact O-N 3.18Å; T315-S341 VanDerWaalsContact O-N 3.12Å; L317-S341 PolarHBondContact N-O 2.96Å; S341-M343 VanDerWaalsContact OG-CE 3.24Å; S341-M343 WeakPolarHBondContact OG-CE 3.32Å; S341-E365 VanDerWaalsContact CB-OE1 3.3Å; S341-E365 WeakPolarHBondContact CB-OE1 3.48Å; S341-E365 PolarHBondContact OG-OE1 3.26Å
342	L	97.6	Very high	96.3	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	105.3	178.3	177.2	58.9	0	0	0	110.9	L317 F333 L339 L344 L360 L363 E365 I366 S367	L317-L342 HydrophobicContact CB-CD1 4.14Å; L317-L342 HydrophobicContact CD2-CD1 3.81Å; L317-L342 HydrophobicContact CG-CD1 4.12Å; F333-L342 HydrophobicContact CZ-CD1 4.26Å; L339-L342 HydrophobicContact CD2-CB 4.44Å; L342-L344 HydrophobicContact CD1-CD1 4.33Å; L342-L344 HydrophobicContact CD1-CD2 3.97Å; L342-L344 HydrophobicContact CD1-CG 4.02Å; L342-L344 HydrophobicContact CD2-CD1 4.07Å; L342-L344 HydrophobicContact CG-CD1 4.05Å; L342-L344 HydrophobicContact CG-CD2 4.49Å; L342-L344 HydrophobicContact CG-CG 3.98Å; L342-L360 HydrophobicContact CD2-CD1 4.14Å; L342-L363 HydrophobicContact CB-CD1 3.77Å; L342-E365 PolarHBondContact N-O 2.9Å; L342-E365 VanDerWaalsContact N-O 3.09Å; L342-I366 HydrophobicContact CB-CG1 4.3Å; L342-I366 HydrophobicContact CD2-CD1 4.12Å; L342-I366 HydrophobicContact CD2-CG1 4.32Å; L342-I366 HydrophobicContact CG-CG1 4.3Å; L342-I366 VanDerWaalsContact O-CA 3.32Å; L342-I366 WeakPolarHBondContact O-CA 3.14Å; L342-S367 PolarHBondContact O-N 2.76Å
343	M	97.8	Very high	96.1	Very high	22 Å²	22	26.3 Å²	26.3	11%	0.108	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	114.5	-177.9	-55.6	-65.4	103.3	0	0	110.8	L317 E318 A319 T320 S341 E365 S367 M392	L317-M343 PolarHBondContact O-N 3.07Å; E318-M343 HydrophobicContact CG-CG 4.48Å; A319-M343 CarbonylContact C-O 3.09Å; A319-M343 PolarHBondContact N-O 3.05Å; T320-M343 HydrophobicContact CG2-CB 3.63Å; S341-M343 VanDerWaalsContact OG-CE 3.24Å; S341-M343 WeakPolarHBondContact OG-CE 3.32Å; M343-E365 HydrophobicContact CE-CG 4.03Å; M343-S367 VanDerWaalsContact SD-CB 3.56Å; M343-M392 HydrophobicContact CE-CG 4.34Å
344	L	97.5	Very high	95.9	Very high	4 Å²	4	30 Å²	30	2%	0.021	16%	0.156	C	C	.	.			trans	-129.2	22	-177.3	-57.8	175.4	0	0	0	112.4	A319 I328 L342 N347 L349 V352 S367 I368 N371	A319-L344 HydrophobicContact CB-CD2 3.94Å; I328-L344 HydrophobicContact CD1-CD1 3.81Å; I328-L344 HydrophobicContact CD1-CD2 3.77Å; I328-L344 HydrophobicContact CD1-CG 4.42Å; L342-L344 HydrophobicContact CD1-CD1 4.33Å; L342-L344 HydrophobicContact CD1-CD2 3.97Å; L342-L344 HydrophobicContact CD1-CG 4.02Å; L342-L344 HydrophobicContact CD2-CD1 4.07Å; L342-L344 HydrophobicContact CG-CD1 4.05Å; L342-L344 HydrophobicContact CG-CD2 4.49Å; L342-L344 HydrophobicContact CG-CG 3.98Å; L344-N347 PolarHBondContact O-ND2 3.24Å; L344-L349 HydrophobicContact CB-CD1 3.91Å; L344-L349 HydrophobicContact CD1-CD1 4.22Å; L344-V352 HydrophobicContact CD1-CG2 4.04Å; L344-S367 CarbonylContact C-O 3.57Å; L344-S367 VanDerWaalsContact C-O 3.28Å; L344-S367 VanDerWaalsContact CA-O 3.22Å; L344-S367 WeakPolarHBondContact CA-O 3.24Å; L344-S367 VanDerWaalsContact CB-O 3.3Å; L344-S367 WeakPolarHBondContact CB-O 3.32Å; L344-S367 PolarHBondContact N-O 2.96Å; L344-I368 HydrophobicContact CB-CG2 4.4Å; L344-I368 HydrophobicContact CD1-CG2 4.47Å; L344-N371 PolarHBondContact O-ND2 2.95Å
345	N	96.9	Very high	95.6	Very high	22 Å²	22	28.8 Å²	28.8	12%	0.118	15%	0.154	C	C	.	.			trans	-77.4	157.9	-179.4	55.8	-80.5	0	0	0	113.5	T320 N321 S367 H369	T320-N345 WeakPolarHBondContact CA-O 3.19Å; T320-N345 VanDerWaalsContact CG2-OD1 3.26Å; T320-N345 WeakPolarHBondContact CG2-OD1 3.1Å; N321-N345 PolarHBondContact N-O 3.12Å; N345-S367 WeakPolarHBondContact CB-OG 3.48Å; N345-S367 PolarHBondContact N-O 3.13Å; N345-S367 PolarHBondContact OD1-OG 3.38Å; N345-S367 VanDerWaalsContact OD1-OG 3.13Å; N345-H369 VanDerWaalsContact CA-O 3.29Å; N345-H369 WeakPolarHBondContact CA-O 3.3Å; N345-H369 VanDerWaalsContact CB-NE2 3.3Å; N345-H369 WeakPolarHBondContact CB-NE2 3.14Å; N345-H369 WeakPolarHBondContact CB-O 3.22Å
346	N	96.9	Very high	95.5	Very high	63 Å²	63	24 Å²	24	34%	0.337	13%	0.129	S	C	.	.	S	Bend	trans	57.7	46.2	179.1	-57	-31.3	0	0	0	112.8	N321 N322 H369 S370	N321-N346 CarbonylContact C-O 3.55Å; N321-N346 WeakPolarHBondContact CA-O 3.46Å; N321-N346 PolarHBondContact N-O 2.91Å; N321-N346 WeakPolarHBondContact OD1-CB 3.27Å; N321-N346 PolarHBondContact OD1-ND2 3.49Å; N322-N346 PolarHBondContact N-O 3.03Å; N346-H369 PolarHBondContact N-O 3.26Å; N346-S370 WeakPolarHBondContact CA-O 3.49Å; N346-S370 WeakPolarHBondContact OD1-CB 3.35Å; N346-S370 PolarHBondContact OD1-OG 3.49Å
347	N	97.4	Very high	95.2	Very high	11 Å²	11	24.4 Å²	24.4	6%	0.059	13%	0.131	C	C	.	.	S	Bend	trans	-118.9	-163.7	174.6	-58.7	-49.4	0	0	0	110.8	A319 N322 L325 L344 L349 N371 P372	A319-N347 PolarHBondContact O-ND2 2.86Å; A319-N347 PolarHBondContact O-OD1 3.29Å; N322-N347 VanDerWaalsContact CA-OD1 3.32Å; N322-N347 WeakPolarHBondContact CA-OD1 3.38Å; N322-N347 WeakPolarHBondContact CB-OD1 3.35Å; N322-N347 PolarHBondContact N-OD1 3Å; N322-N347 WeakPolarHBondContact O-CA 3.45Å; N322-N347 PolarHBondContact O-OD1 3.2Å; L325-N347 HydrophobicContact CB-CB 4.19Å; L344-N347 PolarHBondContact O-ND2 3.24Å; N347-L349 HydrophobicContact CB-CG 4.19Å; N347-N371 VanDerWaalsContact CA-OD1 3.31Å; N347-N371 WeakPolarHBondContact CA-OD1 3.08Å; N347-N371 WeakPolarHBondContact CB-OD1 3.33Å; N347-N371 PolarHBondContact N-OD1 3.49Å; N347-N371 PolarHBondContact O-OD1 3.05Å; N347-P372 WeakPolarHBondContact O-CD 3.41Å
348	A	95.4	Very high	95	Very high	17 Å²	17	27.9 Å²	27.9	14%	0.14	14%	0.143	C	C	.	.			trans	-110	22.6	175.6	0	0	0	0	0	113	P323 L325 S326 N350 N371	P323-A348 WeakPolarHBondContact O-CB 3.21Å; L325-A348 CarbonylContact O-C 3.55Å; L325-A348 WeakPolarHBondContact O-CA 3.49Å; L325-A348 PolarHBondContact O-N 3.47Å; S326-A348 WeakPolarHBondContact CA-O 3.48Å; S326-A348 WeakPolarHBondContact CB-O 3.3Å; A348-N350 PolarHBondContact O-N 3.08Å; A348-N371 PolarHBondContact N-OD1 3.2Å
349	L	95	Very high	94.7	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	15%	0.147	C	C	.	.			trans	-67.5	133.7	-175.5	-62.8	171.6	0	0	0	111.1	L325 I328 L344 N347 V352 N371 P372	L325-L349 HydrophobicContact CG-CD2 4.16Å; L325-L349 PolarHBondContact O-N 3.04Å; L325-L349 VanDerWaalsContact O-N 3.17Å; I328-L349 HydrophobicContact CD1-CD1 3.95Å; I328-L349 HydrophobicContact CD1-CD2 3.97Å; I328-L349 HydrophobicContact CG1-CD2 3.9Å; L344-L349 HydrophobicContact CB-CD1 3.91Å; L344-L349 HydrophobicContact CD1-CD1 4.22Å; N347-L349 HydrophobicContact CB-CG 4.19Å; L349-V352 HydrophobicContact CD1-CG2 4.47Å; L349-N371 HydrophobicContact CB-CB 4.38Å; L349-N371 WeakPolarHBondContact CB-OD1 3.24Å; L349-N371 PolarHBondContact N-OD1 3.39Å; L349-N371 WeakPolarHBondContact O-CB 3.34Å; L349-P372 CarbonylContact O-C 3.19Å; L349-P372 WeakPolarHBondContact O-CD 3.25Å
350	N	92.2	Very high	94.6	Very high	15 Å²	15	29 Å²	29	8%	0.08	15%	0.148	C	C	.	.	S	Bend	trans	-85.4	-34.1	172.8	-61.9	123.3	0	0	0	112.2	A348 P372 L373 R374 M450	A348-N350 PolarHBondContact O-N 3.08Å; N350-P372 PolarHBondContact ND2-O 3.48Å; N350-P372 VanDerWaalsContact ND2-O 3.09Å; N350-L373 CarbonylContact O-C 3.51Å; N350-L373 VanDerWaalsContact O-CA 3.25Å; N350-L373 WeakPolarHBondContact O-CA 3.48Å; N350-R374 HydrophobicContact CB-CB 4.37Å; N350-R374 PolarHBondContact O-N 3.27Å; N350-M450 HydrophobicContact CB-SD 4.47Å
351	A	92.6	Very high	94.4	Very high	4 Å²	4	30.2 Å²	30.2	3%	0.033	16%	0.162	C	C	.	.			trans	-159.2	172.3	174.7	0	0	0	0	0	110.3	V378 I379 M450	A351-V378 HydrophobicContact CB-CB 4.01Å; A351-V378 HydrophobicContact CB-CG1 3.69Å; A351-I379 HydrophobicContact CB-CB 4.17Å; A351-M450 HydrophobicContact CB-CE 3.94Å; A351-M450 HydrophobicContact CB-SD 4.41Å; A351-M450 WeakPolarHBondContact O-CE 3.45Å
352	V	94.1	Very high	94.3	Very high	5 Å²	5	34 Å²	34	3%	0.03	18%	0.182	C	C	.	.			trans	-125.2	127	165.6	178.3	0	0	0	0	107.1	L344 L349 T356 V357 I368 W381	L344-V352 HydrophobicContact CD1-CG2 4.04Å; L349-V352 HydrophobicContact CD1-CG2 4.47Å; V352-T356 HydrophobicContact CG1-CG2 4.31Å; V352-V357 HydrophobicContact CG1-CG2 4.27Å; V352-I368 HydrophobicContact CG2-CG2 4.11Å; V352-W381 PolarHBondContact O-NE1 3Å
353	Y	93.5	Very high	94.2	Very high	7 Å²	7	34.7 Å²	34.7	3%	0.027	19%	0.185	C	C	.	.			trans	-63.2	141	179.3	-76	-80.4	0	0	0	111.7	R330 K355 T356 V378 M450 A451	R330-Y353 HydrophobicContact CB-CD1 4.25Å; R330-Y353 HydrophobicContact CB-CD2 3.56Å; R330-Y353 HydrophobicContact CB-CE2 4.05Å; R330-Y353 HydrophobicContact CB-CG 3.67Å; Y353-K355 PolarHBondContact O-N 2.89Å; Y353-T356 VanDerWaalsContact O-CB 3.29Å; Y353-T356 WeakPolarHBondContact O-CB 3.46Å; Y353-T356 PolarHBondContact O-N 2.96Å; Y353-T356 VanDerWaalsContact O-N 3.12Å; Y353-V378 HydrophobicContact CD1-CG1 3.66Å; Y353-V378 HydrophobicContact CE1-CG1 3.83Å; Y353-V378 HydrophobicContact CE1-CG2 4.33Å; Y353-V378 HydrophobicContact CG-CG1 4.08Å; Y353-M450 HydrophobicContact CD2-CE 3.76Å; Y353-M450 HydrophobicContact CE2-CE 3.45Å; Y353-M450 VanDerWaalsContact CE2-CE 3.45Å; Y353-M450 HydrophobicContact CE2-CG 4.39Å; Y353-M450 WeakPolarHBondContact OH-CA 3.48Å; Y353-A451 PolarHBondContact OH-N 3.35Å; Y353-A451 PolarHBondContact OH-O 3.27Å
354	Q	90.9	Very high	94.1	Very high	90 Å²	90	40.7 Å²	40.7	42%	0.421	21%	0.207	S	C	.	.	H	α-helix	trans	-54.5	-43.1	170.8	-174.8	177.4	-17.5	0	0	111.3	T356 V357 E358 W381	Q354-T356 VanDerWaalsContact C-N 3.26Å; Q354-T356 PolarHBondContact O-N 2.84Å; Q354-V357 WeakPolarHBondContact O-CB 3.18Å; Q354-V357 PolarHBondContact O-N 2.95Å; Q354-E358 HydrophobicContact CG-CG 4.17Å; Q354-E358 WeakPolarHBondContact CG-OE1 3.28Å; Q354-E358 PolarHBondContact NE2-OE1 3.36Å; Q354-E358 WeakPolarHBondContact O-CG 3.48Å; Q354-E358 PolarHBondContact O-N 3.05Å; Q354-W381 HydrophobicContact CB-CB 3.91Å; Q354-W381 HydrophobicContact CB-CD2 4.34Å; Q354-W381 HydrophobicContact CB-CG 3.67Å; Q354-W381 HydrophobicContact CG-CB 3.83Å; Q354-W381 HydrophobicContact CG-CD2 4.44Å; Q354-W381 HydrophobicContact CG-CG 3.93Å
355	K	90.6	Very high	94	Very high	86 Å²	86	43.2 Å²	43.2	37%	0.374	22%	0.218	S	C	.	.	H	α-helix	trans	-60.3	-32.8	179.8	-167.9	170.3	-173.4	174.5	0	113.5	L331 Y353 V357 E358 S359	L331-K355 HydrophobicContact CD2-CD 4.32Å; Y353-K355 PolarHBondContact O-N 2.89Å; K355-V357 VanDerWaalsContact C-N 3.29Å; K355-V357 PolarHBondContact O-N 3.01Å; K355-E358 PolarHBondContact O-N 3.34Å; K355-S359 WeakPolarHBondContact O-CB 3.3Å; K355-S359 PolarHBondContact O-N 3.23Å
356	T	93	Very high	93.9	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.012	21%	0.213	C	C	.	.	H	α-helix	trans	-59.9	-45.1	174	-59.1	0	0	0	0	109.8	R330 F333 V352 Y353 Q354 S359	R330-T356 WeakPolarHBondContact CA-OG1 3.13Å; F333-T356 HydrophobicContact CD2-CG2 3.58Å; F333-T356 HydrophobicContact CE2-CG2 3.55Å; V352-T356 HydrophobicContact CG1-CG2 4.31Å; Y353-T356 VanDerWaalsContact O-CB 3.29Å; Y353-T356 WeakPolarHBondContact O-CB 3.46Å; Y353-T356 PolarHBondContact O-N 2.96Å; Y353-T356 VanDerWaalsContact O-N 3.12Å; Q354-T356 VanDerWaalsContact C-N 3.26Å; Q354-T356 PolarHBondContact O-N 2.84Å; T356-S359 PolarHBondContact O-N 2.94Å; T356-S359 PolarHBondContact O-OG 3.45Å
357	V	92	Very high	93.9	Very high	9 Å²	9	39.3 Å²	39.3	6%	0.055	20%	0.197	C	C	.	.	H	α-helix	trans	-73.7	-40.4	-179.5	176.5	0	0	0	0	111.9	V352 Q354 K355 S359 L360 L363 I366 W381 I389	V352-V357 HydrophobicContact CG1-CG2 4.27Å; Q354-V357 WeakPolarHBondContact O-CB 3.18Å; Q354-V357 PolarHBondContact O-N 2.95Å; K355-V357 VanDerWaalsContact C-N 3.29Å; K355-V357 PolarHBondContact O-N 3.01Å; V357-S359 PolarHBondContact O-N 2.9Å; V357-L360 WeakPolarHBondContact O-CB 2.89Å; V357-L360 PolarHBondContact O-N 2.93Å; V357-L363 HydrophobicContact CG1-CD2 4.09Å; V357-I366 HydrophobicContact CG2-CD1 4.24Å; V357-W381 HydrophobicContact CB-CH2 4.37Å; V357-W381 HydrophobicContact CG1-CH2 4.38Å; V357-W381 HydrophobicContact CG1-CZ3 4.44Å; V357-W381 HydrophobicContact CG2-CH2 3.69Å; V357-W381 HydrophobicContact CG2-CZ2 3.79Å; V357-W381 HydrophobicContact CG2-CZ3 4.46Å; V357-I389 HydrophobicContact CG1-CD1 3.12Å
358	E	90.8	Very high	93.8	Very high	127 Å²	127	38.9 Å²	38.9	59%	0.593	20%	0.195	S	C	*	.	H	α-helix	trans	-62.5	-26.8	175.6	-70.5	176.3	167.1	0	0	113.2	Q354 K355 L360	Q354-E358 HydrophobicContact CG-CG 4.17Å; Q354-E358 WeakPolarHBondContact CG-OE1 3.28Å; Q354-E358 PolarHBondContact NE2-OE1 3.36Å; Q354-E358 WeakPolarHBondContact O-CG 3.48Å; Q354-E358 PolarHBondContact O-N 3.05Å; K355-E358 PolarHBondContact O-N 3.34Å; E358-L360 PolarHBondContact O-N 3.36Å
359	S	92.3	Very high	93.8	Very high	42 Å²	42	38.7 Å²	38.7	29%	0.294	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-10	174.6	78.6	0	0	0	0	113.8	K355 T356 V357 P361	K355-S359 WeakPolarHBondContact O-CB 3.3Å; K355-S359 PolarHBondContact O-N 3.23Å; T356-S359 PolarHBondContact O-N 2.94Å; T356-S359 PolarHBondContact O-OG 3.45Å; V357-S359 PolarHBondContact O-N 2.9Å; S359-P361 WeakPolarHBondContact O-CD 3.36Å
360	L	95.1	Very high	93.9	Very high	6 Å²	6	41.5 Å²	41.5	3%	0.031	21%	0.211	C	C	.	.			trans	-114.3	86.6	-174.9	-58.5	169.8	0	0	0	110.2	F333 V336 L339 L342 V357 E358 N362 L363	F333-L360 HydrophobicContact CB-CD2 3.96Å; F333-L360 HydrophobicContact CD1-CD2 4.27Å; F333-L360 HydrophobicContact CG-CD2 4.1Å; V336-L360 HydrophobicContact CB-CD2 4.13Å; L339-L360 HydrophobicContact CB-CD2 4.18Å; L339-L360 HydrophobicContact CD2-CD1 3.85Å; L339-L360 HydrophobicContact CD2-CD2 3.81Å; L339-L360 HydrophobicContact CD2-CG 4.41Å; L342-L360 HydrophobicContact CD2-CD1 4.14Å; V357-L360 WeakPolarHBondContact O-CB 2.89Å; V357-L360 PolarHBondContact O-N 2.93Å; E358-L360 PolarHBondContact O-N 3.36Å; L360-N362 VanDerWaalsContact C-N 3.34Å; L360-N362 PolarHBondContact O-N 3.01Å; L360-L363 HydrophobicContact CB-CB 3.97Å; L360-L363 HydrophobicContact CD1-CD1 4.45Å; L360-L363 HydrophobicContact CD1-CD2 4.13Å; L360-L363 PolarHBondContact O-N 3.31Å
361	P	93.1	Very high	94.1	Very high	92 Å²	92	41.4 Å²	41.4	60%	0.597	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-27	-168.1	26.2	-35.8	0	0	0	114.8	P337 S359	P337-P361 HydrophobicContact CB-CG 4.34Å; S359-P361 WeakPolarHBondContact O-CD 3.36Å
362	N	95.3	Very high	94.2	Very high	89 Å²	89	43.7 Å²	43.7	48%	0.476	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	12.4	-178.3	-68	-51.2	0	0	0	113.5	P337 L339 L360 R364	P337-N362 WeakPolarHBondContact O-CB 3.46Å; P337-N362 PolarHBondContact O-ND2 3.09Å; L339-N362 CarbonylContact O-C 3.56Å; L339-N362 VanDerWaalsContact O-C 3.27Å; L360-N362 VanDerWaalsContact C-N 3.34Å; L360-N362 PolarHBondContact O-N 3.01Å; N362-R364 PolarHBondContact O-N 3.35Å
363	L	95.9	Very high	94.2	Very high	15 Å²	15	43.5 Å²	43.5	8%	0.079	22%	0.224	C	C	.	.			trans	-63.6	121.8	-178.5	-168.2	70.1	0	0	0	110.4	L339 L342 V357 L360 I389	L339-L363 HydrophobicContact CD2-CD1 4.44Å; L339-L363 HydrophobicContact CG-CD1 4.38Å; L339-L363 VanDerWaalsContact O-CA 3.26Å; L339-L363 WeakPolarHBondContact O-CA 3.29Å; L339-L363 PolarHBondContact O-N 3.18Å; L342-L363 HydrophobicContact CB-CD1 3.77Å; V357-L363 HydrophobicContact CG1-CD2 4.09Å; L360-L363 HydrophobicContact CB-CB 3.97Å; L360-L363 HydrophobicContact CD1-CD1 4.45Å; L360-L363 HydrophobicContact CD1-CD2 4.13Å; L360-L363 PolarHBondContact O-N 3.31Å; L363-I389 HydrophobicContact CD2-CD1 4.26Å
364	R	94.8	Very high	94.1	Very high	148 Å²	148	45 Å²	45	56%	0.558	23%	0.229	S	C	*	.			trans	-102.7	-39.6	-178.8	-64.2	-171.1	-178	139.7	15.6	111.9	E340 N362 R390	E340-R364 HydrophobicContact CB-CG 4.48Å; E340-R364 VanDerWaalsContact CD-CZ 3.44Å; E340-R364 PolarHBondContact O-N 3.43Å; E340-R364 IonicContact OE1-CZ 2.65Å; E340-R364 IonicContact OE1-NE 3.81Å; E340-R364 IonicContact OE1-NH1 3.09Å; E340-R364 PolarHBondContact OE1-NH1 2.9Å; E340-R364 VanDerWaalsContact OE1-NH1 3.16Å; E340-R364 IonicContact OE1-NH2 3.55Å; E340-R364 PolarHBondContact OE1-NH2 3.22Å; E340-R364 IonicContact OE2-CZ 2.73Å; E340-R364 IonicContact OE2-NH1 3.41Å; E340-R364 PolarHBondContact OE2-NH1 3.38Å; E340-R364 IonicContact OE2-NH2 3.61Å; N362-R364 PolarHBondContact O-N 3.35Å; R364-R390 WeakPolarHBondContact O-CB 3.49Å; R364-R390 PolarHBondContact O-N 3.13Å
365	E	95.4	Very high	94.2	Very high	57 Å²	57	40.9 Å²	40.9	27%	0.266	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	143.6	-176.2	62.2	-179.4	-158.1	0	0	112.8	E340 S341 L342 M343 R390	E340-E365 PolarHBondContact O-N 3.06Å; S341-E365 VanDerWaalsContact CB-OE1 3.3Å; S341-E365 WeakPolarHBondContact CB-OE1 3.48Å; S341-E365 PolarHBondContact OG-OE1 3.26Å; L342-E365 PolarHBondContact N-O 2.9Å; L342-E365 VanDerWaalsContact N-O 3.09Å; M343-E365 HydrophobicContact CE-CG 4.03Å; E365-R390 VanDerWaalsContact CA-O 3.25Å; E365-R390 WeakPolarHBondContact CA-O 3.3Å; E365-R390 HydrophobicContact CB-CB 4.34Å
366	I	95.6	Very high	94.1	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	138.7	176.7	-164.9	177.5	0	0	0	110.2	L342 V357 I368 I389 R390 F391 M392	L342-I366 HydrophobicContact CB-CG1 4.3Å; L342-I366 HydrophobicContact CD2-CD1 4.12Å; L342-I366 HydrophobicContact CD2-CG1 4.32Å; L342-I366 HydrophobicContact CG-CG1 4.3Å; L342-I366 VanDerWaalsContact O-CA 3.32Å; L342-I366 WeakPolarHBondContact O-CA 3.14Å; V357-I366 HydrophobicContact CG2-CD1 4.24Å; I366-I368 HydrophobicContact CD1-CG2 3.91Å; I366-I368 HydrophobicContact CG1-CG2 3.99Å; I366-I389 HydrophobicContact CB-CG2 4.14Å; I366-I389 HydrophobicContact CG2-CG2 3.66Å; I366-R390 PolarHBondContact N-O 3.34Å; I366-F391 HydrophobicContact CG2-CD1 3.59Å; I366-F391 HydrophobicContact CG2-CE1 3.63Å; I366-F391 HydrophobicContact CG2-CG 4.2Å; I366-F391 HydrophobicContact CG2-CZ 4.28Å; I366-F391 WeakPolarHBondContact O-CA 3.09Å; I366-M392 PolarHBondContact O-N 3.19Å
367	S	96.2	Very high	93.9	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.014	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	119.6	173.4	-168.7	0	0	0	0	109.7	L342 M343 L344 N345 H369	L342-S367 PolarHBondContact O-N 2.76Å; M343-S367 VanDerWaalsContact SD-CB 3.56Å; L344-S367 CarbonylContact C-O 3.57Å; L344-S367 VanDerWaalsContact C-O 3.28Å; L344-S367 VanDerWaalsContact CA-O 3.22Å; L344-S367 WeakPolarHBondContact CA-O 3.24Å; L344-S367 VanDerWaalsContact CB-O 3.3Å; L344-S367 WeakPolarHBondContact CB-O 3.32Å; L344-S367 PolarHBondContact N-O 2.96Å; N345-S367 WeakPolarHBondContact CB-OG 3.48Å; N345-S367 PolarHBondContact N-O 3.13Å; N345-S367 PolarHBondContact OD1-OG 3.38Å; N345-S367 VanDerWaalsContact OD1-OG 3.13Å; S367-H369 PolarHBondContact OG-CD2 2.65Å; S367-H369 PolarHBondContact OG-NE2 3.25Å
368	I	95.7	Very high	93.9	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.01	21%	0.208	C	C	.	.			trans	-132.4	6.5	178.4	63.1	168.4	0	0	0	112.6	L344 V352 I366 N371 L373 I382 F391 M397	L344-I368 HydrophobicContact CB-CG2 4.4Å; L344-I368 HydrophobicContact CD1-CG2 4.47Å; V352-I368 HydrophobicContact CG2-CG2 4.11Å; I366-I368 HydrophobicContact CD1-CG2 3.91Å; I366-I368 HydrophobicContact CG1-CG2 3.99Å; I368-N371 PolarHBondContact O-ND2 3.48Å; I368-L373 HydrophobicContact CD1-CD1 4.35Å; I368-I382 HydrophobicContact CD1-CD1 3.25Å; I368-F391 HydrophobicContact CD1-CE1 4.37Å; I368-M397 HydrophobicContact CD1-SD 3.81Å; I368-M397 HydrophobicContact CG1-CG 4.36Å; I368-M397 HydrophobicContact CG1-SD 3.46Å; I368-M397 WeakPolarHBondContact CG1-SD 3.22Å
369	H	95.7	Very high	93.9	Very high	14 Å²	14	33.3 Å²	33.3	7%	0.065	18%	0.18	C	C	.	.			trans	-64.1	166.1	-179.3	69.4	86.4	0	0	0	111.6	N345 N346 S367 N371 E393 M397	N345-H369 VanDerWaalsContact CA-O 3.29Å; N345-H369 WeakPolarHBondContact CA-O 3.3Å; N345-H369 VanDerWaalsContact CB-NE2 3.3Å; N345-H369 WeakPolarHBondContact CB-NE2 3.14Å; N345-H369 WeakPolarHBondContact CB-O 3.22Å; N346-H369 PolarHBondContact N-O 3.26Å; S367-H369 PolarHBondContact OG-CD2 2.65Å; S367-H369 PolarHBondContact OG-NE2 3.25Å; H369-N371 PolarHBondContact O-N 2.63Å; H369-N371 PolarHBondContact O-ND2 3.01Å; H369-E393 HydrophobicContact CB-CB 4.44Å; H369-E393 IonicContact CD2-OE2 3.05Å; H369-E393 IonicContact CE1-OE2 3.61Å; H369-E393 PolarHBondContact CE1-OE2 3.45Å; H369-E393 IonicContact CG-OE2 3.79Å; H369-E393 IonicContact ND1-OE2 2.9Å; H369-E393 PolarHBondContact ND1-OE2 2.8Å; H369-E393 IonicContact NE2-OE2 3.78Å; H369-E393 PolarHBondContact NE2-OE2 2.74Å; H369-M397 HydrophobicContact CB-CG 3.97Å
370	S	96.4	Very high	93.6	Very high	60 Å²	60	35 Å²	35	42%	0.42	18%	0.183	S	C	.	.	S	Bend	trans	55.7	39.4	-178.8	-49.3	0	0	0	0	113.6	N346	N346-S370 WeakPolarHBondContact CA-O 3.49Å; N346-S370 WeakPolarHBondContact OD1-CB 3.35Å; N346-S370 PolarHBondContact OD1-OG 3.49Å
371	N	96.4	Very high	93.3	Very high	12 Å²	12	35.2 Å²	35.2	6%	0.064	18%	0.184	C	C	.	.	S	Bend	trans	-118.5	151.2	171.2	-82.2	-80.4	0	0	0	109.4	L344 N347 A348 L349 I368 H369 L373	L344-N371 PolarHBondContact O-ND2 2.95Å; N347-N371 VanDerWaalsContact CA-OD1 3.31Å; N347-N371 WeakPolarHBondContact CA-OD1 3.08Å; N347-N371 WeakPolarHBondContact CB-OD1 3.33Å; N347-N371 PolarHBondContact N-OD1 3.49Å; N347-N371 PolarHBondContact O-OD1 3.05Å; A348-N371 PolarHBondContact N-OD1 3.2Å; L349-N371 HydrophobicContact CB-CB 4.38Å; L349-N371 WeakPolarHBondContact CB-OD1 3.24Å; L349-N371 PolarHBondContact N-OD1 3.39Å; L349-N371 WeakPolarHBondContact O-CB 3.34Å; I368-N371 PolarHBondContact O-ND2 3.48Å; H369-N371 PolarHBondContact O-N 2.63Å; H369-N371 PolarHBondContact O-ND2 3.01Å; N371-L373 HydrophobicContact CB-CD2 3.68Å; N371-L373 HydrophobicContact CB-CG 3.93Å; N371-L373 PolarHBondContact O-N 2.91Å
372	P	94.9	Very high	93.1	Very high	52 Å²	52	31.1 Å²	31.1	34%	0.338	16%	0.157	S	C	.	.			trans	-76	65.8	174.1	33.9	-36.3	0	0	0	111.2	N347 L349 N350 A400	N347-P372 WeakPolarHBondContact O-CD 3.41Å; L349-P372 CarbonylContact O-C 3.19Å; L349-P372 WeakPolarHBondContact O-CD 3.25Å; N350-P372 PolarHBondContact ND2-O 3.48Å; N350-P372 VanDerWaalsContact ND2-O 3.09Å; P372-A400 HydrophobicContact CB-CB 4.05Å
373	L	94.5	Very high	92.3	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.005	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	133.7	-171.9	-60	174.2	0	0	0	111.7	N350 I368 N371 I379 M397 C399 A400 M401 V410	N350-L373 CarbonylContact O-C 3.51Å; N350-L373 VanDerWaalsContact O-CA 3.25Å; N350-L373 WeakPolarHBondContact O-CA 3.48Å; I368-L373 HydrophobicContact CD1-CD1 4.35Å; N371-L373 HydrophobicContact CB-CD2 3.68Å; N371-L373 HydrophobicContact CB-CG 3.93Å; N371-L373 PolarHBondContact O-N 2.91Å; L373-I379 HydrophobicContact CB-CD1 4.01Å; L373-I379 HydrophobicContact CD1-CD1 3.9Å; L373-I379 HydrophobicContact CD2-CD1 3.78Å; L373-I379 HydrophobicContact CG-CD1 4.09Å; L373-M397 HydrophobicContact CD1-CB 4.5Å; L373-C399 CarbonylContact O-C 3.51Å; L373-A400 PolarHBondContact O-N 3.28Å; L373-M401 PolarHBondContact O-N 3.3Å; L373-V410 HydrophobicContact CD1-CG2 3.81Å
374	R	91.9	Very high	91.3	Very high	38 Å²	38	30.4 Å²	30.4	14%	0.143	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	112.3	170.8	177.7	171.2	155	175.2	-17.5	108.4	N350 D376 I379 M401 L423 M425	N350-R374 HydrophobicContact CB-CB 4.37Å; N350-R374 PolarHBondContact O-N 3.27Å; R374-D376 VanDerWaalsContact C-N 3.35Å; R374-D376 HydrophobicContact CG-CB 4.3Å; R374-D376 IonicContact CZ-OD2 3.39Å; R374-D376 VanDerWaalsContact CZ-OD2 3.23Å; R374-D376 IonicContact NE-OD2 2.92Å; R374-D376 PolarHBondContact NE-OD2 3Å; R374-D376 IonicContact NH2-OD2 2.67Å; R374-D376 PolarHBondContact NH2-OD2 3.09Å; R374-D376 PolarHBondContact O-N 3.05Å; R374-D376 VanDerWaalsContact O-N 3.08Å; R374-I379 VanDerWaalsContact O-CG2 3.29Å; R374-I379 WeakPolarHBondContact O-CG2 3.38Å; R374-M401 CarbonylContact C-O 3.55Å; R374-M401 WeakPolarHBondContact CA-O 3.34Å; R374-M401 HydrophobicContact CB-CB 4.15Å; R374-M401 HydrophobicContact CG-CB 4.02Å; R374-L423 PolarHBondContact NH2-O 3.07Å; R374-M425 WeakPolarHBondContact CD-SD 3.4Å; R374-M425 VanDerWaalsContact NH1-CB 3.32Å; R374-M425 PolarHBondContact NH1-SD 2.99Å
375	C	92	Very high	90	Very high	5 Å²	5	31.4 Å²	31.4	3%	0.034	17%	0.173	C	C	.	.			trans	-84.6	77.5	-177.3	-68.6	0	0	0	0	111.1	I379 C399 M401 P402 Y405	C375-I379 HydrophobicContact CB-CG2 4.5Å; C375-C399 HydrophobicContact CB-CB 3.77Å; C375-C399 WeakPolarHBondContact CB-SG 3.31Å; C375-C399 VanDerWaalsContact SG-CA 3.56Å; C375-C399 WeakPolarHBondContact SG-CB 3.47Å; C375-C399 CovalentContact SG-SG 2.01Å; C375-C399 PolarHBondContact SG-SG 2.75Å; C375-M401 PolarHBondContact N-O 3.45Å; C375-P402 WeakPolarHBondContact O-CD 3.47Å; C375-Y405 HydrophobicContact CB-CD2 4.44Å
376	D	89.9	Confident	88.7	Confident	24 Å²	24	37.3 Å²	37.3	13%	0.128	20%	0.198	C	C	.	.	S	Bend	trans	-128.9	-158.4	177.1	70.3	5.7	0	0	0	111.7	R374 V378 I379 H380 I415 C422	R374-D376 VanDerWaalsContact C-N 3.35Å; R374-D376 HydrophobicContact CG-CB 4.3Å; R374-D376 IonicContact CZ-OD2 3.39Å; R374-D376 VanDerWaalsContact CZ-OD2 3.23Å; R374-D376 IonicContact NE-OD2 2.92Å; R374-D376 PolarHBondContact NE-OD2 3Å; R374-D376 IonicContact NH2-OD2 2.67Å; R374-D376 PolarHBondContact NH2-OD2 3.09Å; R374-D376 PolarHBondContact O-N 3.05Å; R374-D376 VanDerWaalsContact O-N 3.08Å; D376-V378 PolarHBondContact O-N 3.47Å; D376-V378 PolarHBondContact OD1-N 2.9Å; D376-I379 PolarHBondContact O-N 2.95Å; D376-H380 PolarHBondContact O-N 3.16Å; D376-I415 WeakPolarHBondContact O-CD1 3.36Å; D376-C422 HydrophobicContact CB-CB 4.5Å
377	C	89.1	Confident	87.8	Confident	29 Å²	29	39.5 Å²	39.5	20%	0.196	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-29	-177.1	85	0	0	0	0	114	Q421 C422 E452	C377-Q421 VanDerWaalsContact SG-C 3.58Å; C377-C422 HydrophobicContact CB-CB 3.66Å; C377-C422 WeakPolarHBondContact CB-SG 3.29Å; C377-C422 WeakPolarHBondContact SG-CB 3.44Å; C377-C422 PolarHBondContact SG-N 2.98Å; C377-C422 CovalentContact SG-SG 2.03Å; C377-C422 PolarHBondContact SG-SG 2.98Å; C377-E452 VanDerWaalsContact SG-CB 3.51Å
378	V	91.1	Very high	87.1	Confident	9 Å²	9	47.5 Å²	47.5	6%	0.055	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-37.7	-174.3	-178	0	0	0	0	112	A351 Y353 D376 M450	A351-V378 HydrophobicContact CB-CB 4.01Å; A351-V378 HydrophobicContact CB-CG1 3.69Å; Y353-V378 HydrophobicContact CD1-CG1 3.66Å; Y353-V378 HydrophobicContact CE1-CG1 3.83Å; Y353-V378 HydrophobicContact CE1-CG2 4.33Å; Y353-V378 HydrophobicContact CG-CG1 4.08Å; D376-V378 PolarHBondContact O-N 3.47Å; D376-V378 PolarHBondContact OD1-N 2.9Å; V378-M450 HydrophobicContact CG1-CE 4.21Å
379	I	90.3	Very high	86.8	Confident	3 Å²	3	48.7 Å²	48.7	2%	0.015	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-7.2	-176.6	-154.7	169.8	0	0	0	113.2	A351 L373 R374 C375 D376 W381 I382 V410	A351-I379 HydrophobicContact CB-CB 4.17Å; L373-I379 HydrophobicContact CB-CD1 4.01Å; L373-I379 HydrophobicContact CD1-CD1 3.9Å; L373-I379 HydrophobicContact CD2-CD1 3.78Å; L373-I379 HydrophobicContact CG-CD1 4.09Å; R374-I379 VanDerWaalsContact O-CG2 3.29Å; R374-I379 WeakPolarHBondContact O-CG2 3.38Å; C375-I379 HydrophobicContact CB-CG2 4.5Å; D376-I379 PolarHBondContact O-N 2.95Å; I379-W381 PolarHBondContact O-N 2.87Å; I379-I382 HydrophobicContact CD1-CD1 3.91Å; I379-I382 HydrophobicContact CG1-CD1 3.43Å; I379-I382 VanDerWaalsContact CG1-CD1 3.43Å; I379-I382 HydrophobicContact CG1-CG1 4.04Å; I379-I382 WeakPolarHBondContact O-CB 3.04Å; I379-I382 WeakPolarHBondContact O-CG1 3.45Å; I379-I382 PolarHBondContact O-N 2.65Å; I379-I382 VanDerWaalsContact O-N 3.09Å; I379-V410 HydrophobicContact CD1-CG1 4.44Å
380	H	86.5	Confident	86.7	Confident	76 Å²	76	56 Å²	56	35%	0.352	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-54.5	-29.4	-175.9	-177.8	-108.9	0	0	0	114.2	D376 I382 N383 I415	D376-H380 PolarHBondContact O-N 3.16Å; H380-I382 PolarHBondContact O-N 2.95Å; H380-I382 VanDerWaalsContact O-N 3.07Å; H380-N383 PolarHBondContact O-N 2.99Å; H380-I415 HydrophobicContact CB-CD1 3.99Å
381	W	88.5	Confident	86.5	Confident	11 Å²	11	54 Å²	54	4%	0.042	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-57.5	-23.8	178.8	69.1	-93.7	0	0	0	113.8	V352 Q354 V357 I379 N383 S384 T387 F391	V352-W381 PolarHBondContact O-NE1 3Å; Q354-W381 HydrophobicContact CB-CB 3.91Å; Q354-W381 HydrophobicContact CB-CD2 4.34Å; Q354-W381 HydrophobicContact CB-CG 3.67Å; Q354-W381 HydrophobicContact CG-CB 3.83Å; Q354-W381 HydrophobicContact CG-CD2 4.44Å; Q354-W381 HydrophobicContact CG-CG 3.93Å; V357-W381 HydrophobicContact CB-CH2 4.37Å; V357-W381 HydrophobicContact CG1-CH2 4.38Å; V357-W381 HydrophobicContact CG1-CZ3 4.44Å; V357-W381 HydrophobicContact CG2-CH2 3.69Å; V357-W381 HydrophobicContact CG2-CZ2 3.79Å; V357-W381 HydrophobicContact CG2-CZ3 4.46Å; I379-W381 PolarHBondContact O-N 2.87Å; W381-N383 PolarHBondContact O-N 2.95Å; W381-S384 WeakPolarHBondContact O-CB 3.49Å; W381-S384 PolarHBondContact O-N 3.15Å; W381-T387 HydrophobicContact CE3-CG2 4.07Å; W381-T387 HydrophobicContact CZ3-CG2 4.2Å; W381-F391 HydrophobicContact CH2-CE1 4.11Å; W381-F391 AromaticContact CH2-CZ 3.83Å; W381-F391 HydrophobicContact CH2-CZ 3.83Å; W381-F391 HydrophobicContact CZ3-CE1 4.43Å; W381-F391 AromaticContact CZ3-CZ 3.7Å; W381-F391 HydrophobicContact CZ3-CZ 3.7Å
382	I	88.8	Confident	86.4	Confident	7 Å²	7	56.2 Å²	56.2	4%	0.036	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-61.2	-28.2	177.6	-64.3	-170.6	0	0	0	112	I368 I379 H380 S384 F391 M397 V410 K411	I368-I382 HydrophobicContact CD1-CD1 3.25Å; I379-I382 HydrophobicContact CD1-CD1 3.91Å; I379-I382 HydrophobicContact CG1-CD1 3.43Å; I379-I382 VanDerWaalsContact CG1-CD1 3.43Å; I379-I382 HydrophobicContact CG1-CG1 4.04Å; I379-I382 WeakPolarHBondContact O-CB 3.04Å; I379-I382 WeakPolarHBondContact O-CG1 3.45Å; I379-I382 PolarHBondContact O-N 2.65Å; I379-I382 VanDerWaalsContact O-N 3.09Å; H380-I382 PolarHBondContact O-N 2.95Å; H380-I382 VanDerWaalsContact O-N 3.07Å; I382-S384 VanDerWaalsContact C-N 3.27Å; I382-F391 HydrophobicContact CB-CZ 4.29Å; I382-F391 HydrophobicContact CD1-CE1 3.99Å; I382-F391 HydrophobicContact CD1-CZ 4.46Å; I382-F391 HydrophobicContact CG1-CE1 4.08Å; I382-F391 HydrophobicContact CG1-CZ 4.05Å; I382-F391 HydrophobicContact CG2-CE1 3.98Å; I382-F391 HydrophobicContact CG2-CE2 4.41Å; I382-F391 HydrophobicContact CG2-CZ 3.85Å; I382-M397 HydrophobicContact CG2-CE 4.35Å; I382-V410 HydrophobicContact CB-CG1 4.43Å; I382-V410 HydrophobicContact CD1-CG1 4.46Å; I382-V410 HydrophobicContact CG2-CG1 4.21Å; I382-K411 HydrophobicContact CG2-CG 4.32Å
383	N	79.5	Confident	86.3	Confident	47 Å²	47	59 Å²	59	25%	0.251	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-87.4	-4.2	-179.9	-63	3.6	0	0	0	111.7	H380 W381 V410 K411 V413	H380-N383 PolarHBondContact O-N 2.99Å; W381-N383 PolarHBondContact O-N 2.95Å; N383-V410 PolarHBondContact ND2-O 3.48Å; N383-V410 PolarHBondContact OD1-O 3.08Å; N383-V410 VanDerWaalsContact OD1-O 3.08Å; N383-K411 VanDerWaalsContact OD1-CA 3.27Å; N383-K411 WeakPolarHBondContact OD1-CA 3.48Å; N383-V413 PolarHBondContact ND2-O 2.78Å
384	S	73.5	Confident	86	Confident	42 Å²	42	61.1 Å²	61.1	29%	0.294	30%	0.303	S	S	.	.			trans	-78.6	125	177.2	-158.4	0	0	0	0	110.8	W381 I382 K386	W381-S384 WeakPolarHBondContact O-CB 3.49Å; W381-S384 PolarHBondContact O-N 3.15Å; I382-S384 VanDerWaalsContact C-N 3.27Å; S384-K386 PolarHBondContact O-N 2.88Å; S384-K386 WeakPolarHBondContact OG-CD 3.28Å; S384-K386 WeakPolarHBondContact OG-CG 3.45Å
385	N	67.8	Low	86	Confident	168 Å²	168	65 Å²	65	90%	0.898	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	9.3	170.5	-69.8	-18.4	0	0	0	113.8
386	K	69.6	Low	86.1	Confident	182 Å²	182	66.8 Å²	66.8	79%	0.791	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-11.6	-177.3	-67.6	-179.5	-177.8	176.3	0	113.7	S384	S384-K386 PolarHBondContact O-N 2.88Å; S384-K386 WeakPolarHBondContact OG-CD 3.28Å; S384-K386 WeakPolarHBondContact OG-CG 3.45Å
387	T	75.1	Confident	86.3	Confident	46 Å²	46	65.7 Å²	65.7	28%	0.282	33%	0.333	S	S	.	.			trans	-103.4	132	-178.2	65.7	0	0	0	0	111.5	W381 I389	W381-T387 HydrophobicContact CE3-CG2 4.07Å; W381-T387 HydrophobicContact CZ3-CG2 4.2Å; T387-I389 PolarHBondContact O-N 3.43Å
388	N	82.1	Confident	86.6	Confident	169 Å²	169	68.8 Å²	68.8	90%	0.904	34%	0.344	S	S	*	.			trans	-87.7	16	173.1	-70.6	-33	0	0	0	112.3
389	I	89.6	Confident	86.7	Confident	28 Å²	28	68.5 Å²	68.5	14%	0.144	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-86.7	132.3	-171	-59.6	164.6	0	0	0	109.3	V357 L363 I366 T387 F391	V357-I389 HydrophobicContact CG1-CD1 3.12Å; L363-I389 HydrophobicContact CD2-CD1 4.26Å; I366-I389 HydrophobicContact CB-CG2 4.14Å; I366-I389 HydrophobicContact CG2-CG2 3.66Å; T387-I389 PolarHBondContact O-N 3.43Å; I389-F391 PolarHBondContact O-N 2.88Å
390	R	92.6	Very high	87	Confident	167 Å²	167	70 Å²	70	63%	0.63	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.4	118.3	174.1	-177.3	-179.8	175	175.9	-2.8	110	R364 E365 I366	R364-R390 WeakPolarHBondContact O-CB 3.49Å; R364-R390 PolarHBondContact O-N 3.13Å; E365-R390 VanDerWaalsContact CA-O 3.25Å; E365-R390 WeakPolarHBondContact CA-O 3.3Å; E365-R390 HydrophobicContact CB-CB 4.34Å; I366-R390 PolarHBondContact N-O 3.34Å
391	F	92.9	Very high	87.1	Confident	17 Å²	17	69.7 Å²	69.7	8%	0.075	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	126.2	169.1	-69	-92.6	0	0	0	110	I366 I368 W381 I382 I389 P394 M397	I366-F391 HydrophobicContact CG2-CD1 3.59Å; I366-F391 HydrophobicContact CG2-CE1 3.63Å; I366-F391 HydrophobicContact CG2-CG 4.2Å; I366-F391 HydrophobicContact CG2-CZ 4.28Å; I366-F391 WeakPolarHBondContact O-CA 3.09Å; I368-F391 HydrophobicContact CD1-CE1 4.37Å; W381-F391 HydrophobicContact CH2-CE1 4.11Å; W381-F391 AromaticContact CH2-CZ 3.83Å; W381-F391 HydrophobicContact CH2-CZ 3.83Å; W381-F391 HydrophobicContact CZ3-CE1 4.43Å; W381-F391 AromaticContact CZ3-CZ 3.7Å; W381-F391 HydrophobicContact CZ3-CZ 3.7Å; I382-F391 HydrophobicContact CB-CZ 4.29Å; I382-F391 HydrophobicContact CD1-CE1 3.99Å; I382-F391 HydrophobicContact CD1-CZ 4.46Å; I382-F391 HydrophobicContact CG1-CE1 4.08Å; I382-F391 HydrophobicContact CG1-CZ 4.05Å; I382-F391 HydrophobicContact CG2-CE1 3.98Å; I382-F391 HydrophobicContact CG2-CE2 4.41Å; I382-F391 HydrophobicContact CG2-CZ 3.85Å; I389-F391 PolarHBondContact O-N 2.88Å; F391-P394 HydrophobicContact CB-CB 4.14Å; F391-P394 WeakPolarHBondContact O-CD 3.27Å; F391-M397 HydrophobicContact CB-CE 4.38Å; F391-M397 HydrophobicContact CD1-CE 4.14Å; F391-M397 HydrophobicContact CD1-SD 4.02Å; F391-M397 HydrophobicContact CG-CE 4.37Å
392	M	93.7	Very high	87.2	Confident	60 Å²	60	70.9 Å²	70.9	30%	0.296	36%	0.363	S	S	.	.	S	Bend	trans	-78.4	133.7	172.7	-64.2	-69.6	-81.5	0	0	109.5	M343 I366	M343-M392 HydrophobicContact CE-CG 4.34Å; I366-M392 PolarHBondContact O-N 3.19Å
393	E	92.4	Very high	87.2	Confident	110 Å²	110	75.3 Å²	75.3	51%	0.514	39%	0.392	S	S	.	.	S	Bend	trans	45.7	55.9	-176.8	-55	-166.9	170.4	0	0	114.8	H369 L395 S396	H369-E393 HydrophobicContact CB-CB 4.44Å; H369-E393 IonicContact CD2-OE2 3.05Å; H369-E393 IonicContact CE1-OE2 3.61Å; H369-E393 PolarHBondContact CE1-OE2 3.45Å; H369-E393 IonicContact CG-OE2 3.79Å; H369-E393 IonicContact ND1-OE2 2.9Å; H369-E393 PolarHBondContact ND1-OE2 2.8Å; H369-E393 IonicContact NE2-OE2 3.78Å; H369-E393 PolarHBondContact NE2-OE2 2.74Å; E393-L395 PolarHBondContact O-N 3.1Å; E393-L395 VanDerWaalsContact O-N 3.12Å; E393-S396 WeakPolarHBondContact O-CB 3.19Å; E393-S396 PolarHBondContact O-N 3.2Å
394	P	90.1	Very high	87.7	Confident	45 Å²	45	79.3 Å²	79.3	29%	0.292	41%	0.41	S	S	.	.	G	3₁₀ helix	trans	-65.8	-22.8	-171.9	27.4	-34.7	0	0	0	113.8	F391 S396 M397 K411	F391-P394 HydrophobicContact CB-CB 4.14Å; F391-P394 WeakPolarHBondContact O-CD 3.27Å; P394-S396 PolarHBondContact O-N 3.33Å; P394-M397 HydrophobicContact CB-CE 3.91Å; P394-M397 PolarHBondContact O-N 3.14Å; P394-K411 HydrophobicContact CB-CD 4.41Å
395	L	90.6	Very high	88.6	Confident	119 Å²	119	80 Å²	80	62%	0.623	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-74.1	-15	176	-60	176.2	0	0	0	112.8	E393 F398	E393-L395 PolarHBondContact O-N 3.1Å; E393-L395 VanDerWaalsContact O-N 3.12Å; L395-F398 WeakPolarHBondContact O-CZ 3.46Å
396	S	93.8	Very high	89.9	Confident	43 Å²	43	81.2 Å²	81.2	30%	0.301	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-94.6	7	177.5	-56.4	0	0	0	0	112.4	E393 P394	E393-S396 WeakPolarHBondContact O-CB 3.19Å; E393-S396 PolarHBondContact O-N 3.2Å; P394-S396 PolarHBondContact O-N 3.33Å
397	M	94	Very high	91	Very high	1 Å²	1	75 Å²	75	1%	0.005	39%	0.386	C	S	.	.			trans	-94.5	103.6	177.8	-58.4	-171.9	-51.4	0	0	109.9	I368 H369 L373 I382 F391 P394 Q409 V410 K411	I368-M397 HydrophobicContact CD1-SD 3.81Å; I368-M397 HydrophobicContact CG1-CG 4.36Å; I368-M397 HydrophobicContact CG1-SD 3.46Å; I368-M397 WeakPolarHBondContact CG1-SD 3.22Å; H369-M397 HydrophobicContact CB-CG 3.97Å; L373-M397 HydrophobicContact CD1-CB 4.5Å; I382-M397 HydrophobicContact CG2-CE 4.35Å; F391-M397 HydrophobicContact CB-CE 4.38Å; F391-M397 HydrophobicContact CD1-CE 4.14Å; F391-M397 HydrophobicContact CD1-SD 4.02Å; F391-M397 HydrophobicContact CG-CE 4.37Å; P394-M397 HydrophobicContact CB-CE 3.91Å; P394-M397 PolarHBondContact O-N 3.14Å; M397-Q409 WeakPolarHBondContact O-CA 3.28Å; M397-V410 HydrophobicContact CB-CB 4.33Å; M397-V410 HydrophobicContact CB-CG2 3.99Å; M397-V410 PolarHBondContact O-N 3.09Å; M397-K411 HydrophobicContact CE-CD 4.45Å; M397-K411 HydrophobicContact CE-CG 4.2Å
398	F	95.2	Very high	91.9	Very high	95 Å²	95	76.8 Å²	76.8	42%	0.417	39%	0.391	S	S	.	.	B	Isolated β-bridge	trans	-116.3	144.2	-178.8	-59.7	-79.4	0	0	0	111.8	L395 G407 Q408 Q409	L395-F398 WeakPolarHBondContact O-CZ 3.46Å; F398-G407 WeakPolarHBondContact CD1-O 3.38Å; F398-Q408 WeakPolarHBondContact CA-O 3.42Å; F398-Q409 HydrophobicContact CD1-CG 4.13Å; F398-Q409 HydrophobicContact CE1-CG 3.79Å
399	C	95.1	Very high	92.4	Very high	2 Å²	2	70.9 Å²	70.9	1%	0.014	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	126.5	171.3	-57	0	0	0	0	110.1	L373 C375 Y405 R406 G407 Q408	L373-C399 CarbonylContact O-C 3.51Å; C375-C399 HydrophobicContact CB-CB 3.77Å; C375-C399 WeakPolarHBondContact CB-SG 3.31Å; C375-C399 VanDerWaalsContact SG-CA 3.56Å; C375-C399 WeakPolarHBondContact SG-CB 3.47Å; C375-C399 CovalentContact SG-SG 2.01Å; C375-C399 PolarHBondContact SG-SG 2.75Å; C399-Y405 VanDerWaalsContact CB-O 3.26Å; C399-Y405 WeakPolarHBondContact CB-O 3.32Å; C399-R406 CarbonylContact O-C 3.55Å; C399-R406 WeakPolarHBondContact O-CA 3.48Å; C399-G407 PolarHBondContact O-N 2.86Å; C399-Q408 PolarHBondContact N-O 3.24Å
400	A	94.7	Very high	92.5	Very high	35 Å²	35	69.8 Å²	69.8	29%	0.289	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	-31.4	168.5	0	0	0	0	0	112	P372 L373	P372-A400 HydrophobicContact CB-CB 4.05Å; L373-A400 PolarHBondContact O-N 3.28Å
401	M	89.8	Confident	92.3	Very high	70 Å²	70	66.5 Å²	66.5	35%	0.345	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	162.4	179.7	-69.6	-175	71.6	0	0	110.3	L373 R374 C375 M425	L373-M401 PolarHBondContact O-N 3.3Å; R374-M401 CarbonylContact C-O 3.55Å; R374-M401 WeakPolarHBondContact CA-O 3.34Å; R374-M401 HydrophobicContact CB-CB 4.15Å; R374-M401 HydrophobicContact CG-CB 4.02Å; C375-M401 PolarHBondContact N-O 3.45Å; M401-M425 HydrophobicContact CE-CE 3.94Å; M401-M425 HydrophobicContact SD-CE 3.56Å; M401-M425 VanDerWaalsContact SD-CE 3.56Å
402	P	89.6	Confident	92	Very high	35 Å²	35	72.1 Å²	72.1	23%	0.227	37%	0.369	C	S	.	.	S	Bend	cis	-69	171.7	-14.3	37.2	-41.6	0	0	0	111.6	C375 E404 Y405 R406	C375-P402 WeakPolarHBondContact O-CD 3.47Å; P402-E404 WeakPolarHBondContact CB-OE2 3.37Å; P402-E404 VanDerWaalsContact CG-OE2 3.26Å; P402-E404 WeakPolarHBondContact CG-OE2 3.23Å; P402-E404 PolarHBondContact O-N 3.13Å; P402-E404 VanDerWaalsContact O-N 3.07Å; P402-Y405 HydrophobicContact CG-CD2 3.85Å; P402-Y405 HydrophobicContact CG-CE2 4.35Å; P402-Y405 PolarHBondContact O-N 3.03Å; P402-Y405 VanDerWaalsContact O-N 3.08Å; P402-R406 PolarHBondContact O-N 3.39Å
403	P	90.1	Very high	91.7	Very high	100 Å²	100	69.5 Å²	69.5	65%	0.649	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-28.2	-173	-27.2	36.1	0	0	0	115	Y405 R406	P403-Y405 VanDerWaalsContact C-N 3.3Å; P403-Y405 PolarHBondContact O-N 3.11Å; P403-R406 PolarHBondContact O-N 2.83Å
404	E	90.1	Very high	91.1	Very high	131 Å²	131	69.6 Å²	69.6	61%	0.612	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-32.6	-179.6	-56.7	73.1	-157.2	0	0	112.2	P402 Q408	P402-E404 WeakPolarHBondContact CB-OE2 3.37Å; P402-E404 VanDerWaalsContact CG-OE2 3.26Å; P402-E404 WeakPolarHBondContact CG-OE2 3.23Å; P402-E404 PolarHBondContact O-N 3.13Å; P402-E404 VanDerWaalsContact O-N 3.07Å; E404-Q408 PolarHBondContact O-NE2 3.41Å
405	Y	91.4	Very high	90.3	Very high	57 Å²	57	69.5 Å²	69.5	22%	0.224	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	1.6	-178.9	-57.2	-49.7	0	0	0	113.2	C375 C399 P402 P403 G407 Q408 V413	C375-Y405 HydrophobicContact CB-CD2 4.44Å; C399-Y405 VanDerWaalsContact CB-O 3.26Å; C399-Y405 WeakPolarHBondContact CB-O 3.32Å; P402-Y405 HydrophobicContact CG-CD2 3.85Å; P402-Y405 HydrophobicContact CG-CE2 4.35Å; P402-Y405 PolarHBondContact O-N 3.03Å; P402-Y405 VanDerWaalsContact O-N 3.08Å; P403-Y405 VanDerWaalsContact C-N 3.3Å; P403-Y405 PolarHBondContact O-N 3.11Å; Y405-G407 PolarHBondContact O-N 3.09Å; Y405-Q408 VanDerWaalsContact O-CB 3.29Å; Y405-Q408 WeakPolarHBondContact O-CB 3.34Å; Y405-Q408 WeakPolarHBondContact O-CG 3.45Å; Y405-Q408 PolarHBondContact O-N 3.1Å; Y405-V413 HydrophobicContact CD1-CG1 3.79Å; Y405-V413 HydrophobicContact CD1-CG2 4.25Å; Y405-V413 HydrophobicContact CD2-CG1 3.89Å; Y405-V413 HydrophobicContact CE1-CG1 3.85Å; Y405-V413 HydrophobicContact CE2-CG1 3.97Å; Y405-V413 HydrophobicContact CG-CG1 3.83Å; Y405-V413 HydrophobicContact CG-CG2 4.27Å
406	R	94.5	Very high	89	Confident	194 Å²	194	72.2 Å²	72.2	73%	0.732	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	125.4	-175	-173.8	174.5	-177.4	178	3	111.8	C399 P402 P403 Q408	C399-R406 CarbonylContact O-C 3.55Å; C399-R406 WeakPolarHBondContact O-CA 3.48Å; P402-R406 PolarHBondContact O-N 3.39Å; P403-R406 PolarHBondContact O-N 2.83Å; R406-Q408 VanDerWaalsContact C-N 3.29Å; R406-Q408 PolarHBondContact O-N 3.32Å
407	G	93.3	Very high	87.3	Confident	51 Å²	51	77 Å²	77	53%	0.526	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.5	-4.3	-178.9	0	0	0	0	0	115	F398 C399 Y405	F398-G407 WeakPolarHBondContact CD1-O 3.38Å; C399-G407 PolarHBondContact O-N 2.86Å; Y405-G407 PolarHBondContact O-N 3.09Å
408	Q	93.4	Very high	85.3	Confident	83 Å²	83	82 Å²	82	39%	0.388	43%	0.428	S	S	.	.	S	Bend	trans	-78.5	152.7	173.8	-59.9	-177.4	17.8	0	0	110.8	F398 C399 E404 Y405 R406 V413	F398-Q408 WeakPolarHBondContact CA-O 3.42Å; C399-Q408 PolarHBondContact N-O 3.24Å; E404-Q408 PolarHBondContact O-NE2 3.41Å; Y405-Q408 VanDerWaalsContact O-CB 3.29Å; Y405-Q408 WeakPolarHBondContact O-CB 3.34Å; Y405-Q408 WeakPolarHBondContact O-CG 3.45Å; Y405-Q408 PolarHBondContact O-N 3.1Å; R406-Q408 VanDerWaalsContact C-N 3.29Å; R406-Q408 PolarHBondContact O-N 3.32Å; Q408-V413 HydrophobicContact CB-CG2 4.04Å
409	Q	93.2	Very high	83.7	Confident	46 Å²	46	83 Å²	83	22%	0.215	44%	0.438	C	S	.	.	B	Isolated β-bridge	trans	-73	133.4	175.3	-68.1	-173.6	-0.9	0	0	110.2	M397 F398 K411 E412 V413	M397-Q409 WeakPolarHBondContact O-CA 3.28Å; F398-Q409 HydrophobicContact CD1-CG 4.13Å; F398-Q409 HydrophobicContact CE1-CG 3.79Å; Q409-K411 PolarHBondContact O-N 3.44Å; Q409-K411 VanDerWaalsContact O-N 3.13Å; Q409-E412 HydrophobicContact CB-CB 4.42Å; Q409-E412 HydrophobicContact CB-CG 4.04Å; Q409-E412 PolarHBondContact O-N 3.19Å; Q409-V413 PolarHBondContact O-N 3.27Å
410	V	92.2	Very high	82.8	Confident	4 Å²	4	90.3 Å²	90.3	2%	0.024	47%	0.472	C	S	.	.	G	3₁₀ helix	trans	-53.3	-41.5	-176	178.2	0	0	0	0	111.6	L373 I379 I382 N383 M397 E412 V413	L373-V410 HydrophobicContact CD1-CG2 3.81Å; I379-V410 HydrophobicContact CD1-CG1 4.44Å; I382-V410 HydrophobicContact CB-CG1 4.43Å; I382-V410 HydrophobicContact CD1-CG1 4.46Å; I382-V410 HydrophobicContact CG2-CG1 4.21Å; N383-V410 PolarHBondContact ND2-O 3.48Å; N383-V410 PolarHBondContact OD1-O 3.08Å; N383-V410 VanDerWaalsContact OD1-O 3.08Å; M397-V410 HydrophobicContact CB-CB 4.33Å; M397-V410 HydrophobicContact CB-CG2 3.99Å; M397-V410 PolarHBondContact O-N 3.09Å; V410-E412 VanDerWaalsContact C-N 3.26Å; V410-E412 PolarHBondContact O-N 2.79Å; V410-V413 PolarHBondContact O-N 3.37Å
411	K	87.4	Confident	82.5	Confident	99 Å²	99	92.3 Å²	92.3	43%	0.43	48%	0.475	S	S	.	.	G	3₁₀ helix	trans	-66.9	-19.9	-179.1	-72.9	-166	172.5	-167.9	0	115.3	I382 N383 P394 M397 Q409	I382-K411 HydrophobicContact CG2-CG 4.32Å; N383-K411 VanDerWaalsContact OD1-CA 3.27Å; N383-K411 WeakPolarHBondContact OD1-CA 3.48Å; P394-K411 HydrophobicContact CB-CD 4.41Å; M397-K411 HydrophobicContact CE-CD 4.45Å; M397-K411 HydrophobicContact CE-CG 4.2Å; Q409-K411 PolarHBondContact O-N 3.44Å; Q409-K411 VanDerWaalsContact O-N 3.13Å
412	E	87	Confident	82.4	Confident	134 Å²	134	89.6 Å²	89.6	63%	0.626	46%	0.463	S	S	*	.	G	3₁₀ helix	trans	-95.2	-15.1	-177.4	-61.5	-178	157.9	0	0	112.2	Q409 V410 V414	Q409-E412 HydrophobicContact CB-CB 4.42Å; Q409-E412 HydrophobicContact CB-CG 4.04Å; Q409-E412 PolarHBondContact O-N 3.19Å; V410-E412 VanDerWaalsContact C-N 3.26Å; V410-E412 PolarHBondContact O-N 2.79Å; E412-V414 PolarHBondContact O-N 3.14Å
413	V	87.3	Confident	82.3	Confident	5 Å²	5	92.2 Å²	92.2	3%	0.03	47%	0.474	C	S	.	.			trans	-73.7	117	-177.9	176.9	0	0	0	0	110.7	N383 Y405 Q408 Q409 V410 I415	N383-V413 PolarHBondContact ND2-O 2.78Å; Y405-V413 HydrophobicContact CD1-CG1 3.79Å; Y405-V413 HydrophobicContact CD1-CG2 4.25Å; Y405-V413 HydrophobicContact CD2-CG1 3.89Å; Y405-V413 HydrophobicContact CE1-CG1 3.85Å; Y405-V413 HydrophobicContact CE2-CG1 3.97Å; Y405-V413 HydrophobicContact CG-CG1 3.83Å; Y405-V413 HydrophobicContact CG-CG2 4.27Å; Q408-V413 HydrophobicContact CB-CG2 4.04Å; Q409-V413 PolarHBondContact O-N 3.27Å; V410-V413 PolarHBondContact O-N 3.37Å; V413-I415 HydrophobicContact CG1-CG1 4.15Å
414	V	80.9	Confident	82.3	Confident	112 Å²	112	87.7 Å²	87.7	68%	0.679	45%	0.445	S	S	*	.			trans	-99.5	110.4	171.8	-177.4	0	0	0	0	108.5	E412 Q416	E412-V414 PolarHBondContact O-N 3.14Å; V414-Q416 PolarHBondContact O-N 3.25Å
415	I	73.6	Confident	82.2	Confident	43 Å²	43	82.1 Å²	82.1	22%	0.221	42%	0.419	C	S	.	.			trans	-80.4	113	176.7	-55.5	-177.3	0	0	0	107.7	D376 H380 V413	D376-I415 WeakPolarHBondContact O-CD1 3.36Å; H380-I415 HydrophobicContact CB-CD1 3.99Å; V413-I415 HydrophobicContact CG1-CG1 4.15Å
416	Q	61.6	Low	82.1	Confident	176 Å²	176	79.5 Å²	79.5	82%	0.822	41%	0.409	S	S	*	.			trans	-77.7	-25.9	-171.9	-73.9	-179	-14	0	0	113.7	V414	V414-Q416 PolarHBondContact O-N 3.25Å
417	D	58.6	Low	81.8	Confident	143 Å²	143	70.3 Å²	70.3	77%	0.765	38%	0.375	S	S	*	.			trans	-91.5	110.8	177.6	-83.4	-37.5	0	0	0	111	N419	D417-N419 VanDerWaalsContact C-N 3.26Å; D417-N419 PolarHBondContact O-N 2.99Å
418	S	52.9	Low	81	Confident	108 Å²	108	73 Å²	73	76%	0.755	37%	0.373	S	S	*	.			trans	-79.8	11.1	-171.6	51.9	0	0	0	0	115.5	E420	S418-E420 PolarHBondContact O-N 2.75Å
419	N	60.3	Low	80.2	Confident	115 Å²	115	73.6 Å²	73.6	62%	0.615	38%	0.376	S	S	*	.			trans	-80.7	113.8	169.3	-74.3	-3.9	0	0	0	106.5	D417 Q421	D417-N419 VanDerWaalsContact C-N 3.26Å; D417-N419 PolarHBondContact O-N 2.99Å; N419-Q421 PolarHBondContact O-N 2.98Å
420	E	76.9	Confident	79.4	Confident	156 Å²	156	71.5 Å²	71.5	73%	0.729	37%	0.366	S	S	*	.	S	Bend	trans	-66.7	34.6	174.2	-62	178.6	156.8	0	0	111.8	S418 E452	S418-E420 PolarHBondContact O-N 2.75Å; E420-E452 WeakPolarHBondContact O-CG 3.5Å
421	Q	87.6	Confident	79	Confident	76 Å²	76	71.8 Å²	71.8	36%	0.355	37%	0.367	S	S	.	.			trans	-126.9	138.1	-174.1	-57.3	179.6	-7.3	0	0	108.3	C377 N419 E452 E505	C377-Q421 VanDerWaalsContact SG-C 3.58Å; N419-Q421 PolarHBondContact O-N 2.98Å; Q421-E452 CarbonylContact C-O 3.56Å; Q421-E452 WeakPolarHBondContact CA-O 3.43Å; Q421-E505 HydrophobicContact CB-CG 3.88Å; Q421-E505 PolarHBondContact OE1-OE1 3.38Å
422	C	88.3	Confident	78.8	Confident	14 Å²	14	70.2 Å²	70.2	10%	0.095	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	159.4	178.8	54.4	0	0	0	0	112.6	D376 C377 E452 N503	D376-C422 HydrophobicContact CB-CB 4.5Å; C377-C422 HydrophobicContact CB-CB 3.66Å; C377-C422 WeakPolarHBondContact CB-SG 3.29Å; C377-C422 WeakPolarHBondContact SG-CB 3.44Å; C377-C422 PolarHBondContact SG-N 2.98Å; C377-C422 CovalentContact SG-SG 2.03Å; C377-C422 PolarHBondContact SG-SG 2.98Å; C422-E452 PolarHBondContact N-O 2.93Å; C422-N503 PolarHBondContact O-ND2 2.84Å
423	L	87.2	Confident	78.6	Confident	90 Å²	90	67.7 Å²	67.7	47%	0.471	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	139.5	-179.8	-73.3	168.2	0	0	0	111.6	R374 E505	R374-L423 PolarHBondContact NH2-O 3.07Å; L423-E505 VanDerWaalsContact CD2-C 3.48Å; L423-E505 HydrophobicContact CD2-CB 4.04Å; L423-E505 VanDerWaalsContact CD2-O 3.28Å; L423-E505 WeakPolarHBondContact CD2-O 3.47Å; L423-E505 HydrophobicContact CG-CB 4.46Å
424	P	89.9	Confident	78.6	Confident	5 Å²	5	72.9 Å²	72.9	3%	0.032	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58	151.8	174.2	-21.9	34.2	0	0	0	112.4	M450 A451 P455 A501 N503 D508	P424-M450 CarbonylContact C-O 3.53Å; P424-M450 WeakPolarHBondContact CA-O 3.3Å; P424-A451 HydrophobicContact CB-CB 3.98Å; P424-A451 HydrophobicContact CG-CB 3.99Å; P424-P455 HydrophobicContact CB-CB 4.02Å; P424-P455 HydrophobicContact CB-CG 4.41Å; P424-P455 HydrophobicContact CG-CB 3.97Å; P424-A501 HydrophobicContact CB-CB 4.05Å; P424-N503 VanDerWaalsContact CD-OD1 3.29Å; P424-N503 WeakPolarHBondContact CD-OD1 3.34Å; P424-N503 HydrophobicContact CG-CB 4.04Å; P424-D508 HydrophobicContact CB-CB 4.46Å; P424-D508 WeakPolarHBondContact O-CB 3.5Å
425	M	88.4	Confident	79	Confident	14 Å²	14	69.4 Å²	69.4	7%	0.069	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	117.2	174.2	-164.4	177.7	-173.7	0	0	110.1	R374 M401 A449 M450 D508	R374-M425 WeakPolarHBondContact CD-SD 3.4Å; R374-M425 VanDerWaalsContact NH1-CB 3.32Å; R374-M425 PolarHBondContact NH1-SD 2.99Å; M401-M425 HydrophobicContact CE-CE 3.94Å; M401-M425 HydrophobicContact SD-CE 3.56Å; M401-M425 VanDerWaalsContact SD-CE 3.56Å; M425-A449 CarbonylContact O-C 3.55Å; M425-A449 WeakPolarHBondContact O-CA 3.5Å; M425-M450 PolarHBondContact N-O 3Å; M425-M450 PolarHBondContact O-N 3.07Å; M425-D508 WeakPolarHBondContact CA-OD2 3.41Å
426	I	88.9	Confident	79.8	Confident	2 Å²	2	73 Å²	73	1%	0.01	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	128.5	172.1	-59.3	170.9	0	0	0	108.1	T430 A449 C499 A501 D508 R510	I426-T430 HydrophobicContact CG2-CG2 3.77Å; I426-A449 HydrophobicContact CG1-CB 4.08Å; I426-C499 HydrophobicContact CD1-CB 4.26Å; I426-A501 HydrophobicContact CD1-CB 4.18Å; I426-A501 HydrophobicContact CG1-CB 3.8Å; I426-D508 WeakPolarHBondContact CD1-O 3.46Å; I426-D508 HydrophobicContact CG1-CB 4.42Å; I426-D508 PolarHBondContact N-OD2 2.74Å; I426-R510 HydrophobicContact CB-CG 4.01Å; I426-R510 HydrophobicContact CD1-CB 4.17Å; I426-R510 HydrophobicContact CD1-CG 4.21Å; I426-R510 HydrophobicContact CG2-CB 4.24Å; I426-R510 HydrophobicContact CG2-CG 4.04Å
427	S	87.8	Confident	81.2	Confident	1 Å²	1	65.7 Å²	65.7	1%	0.007	35%	0.345	C	S	.	.			trans	-63.6	139	-178.5	-165.8	0	0	0	0	111.9	S326 E429 T430 R448 R510	S326-S427 WeakPolarHBondContact CB-OG 3.41Å; S326-S427 PolarHBondContact O-OG 2.93Å; S326-S427 PolarHBondContact OG-OG 3.45Å; S427-E429 VanDerWaalsContact C-N 3.33Å; S427-E429 PolarHBondContact O-N 3.22Å; S427-T430 WeakPolarHBondContact O-CB 3.44Å; S427-T430 VanDerWaalsContact O-CG2 3.24Å; S427-T430 WeakPolarHBondContact O-CG2 3.48Å; S427-T430 PolarHBondContact O-N 2.91Å; S427-R448 PolarHBondContact N-O 3.1Å; S427-R510 PolarHBondContact O-NH1 3.34Å
428	H	76.5	Confident	82.8	Confident	107 Å²	107	64.1 Å²	64.1	50%	0.495	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-29.1	-170.8	-75.2	83.8	0	0	0	114	R510	H428-R510 VanDerWaalsContact O-CZ 3.3Å; H428-R510 PolarHBondContact O-NH1 2.85Å; H428-R510 PolarHBondContact O-NH2 2.78Å; H428-R510 VanDerWaalsContact O-NH2 3.12Å
429	E	77.8	Confident	84.7	Confident	96 Å²	96	62.9 Å²	62.9	45%	0.449	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	7.2	-177.3	-61.2	-58.1	145.6	0	0	113.2	V301 K324 S427 F431	V301-E429 VanDerWaalsContact CG1-O 3.31Å; V301-E429 WeakPolarHBondContact CG1-O 3.49Å; K324-E429 HydrophobicContact CB-CB 4.47Å; S427-E429 VanDerWaalsContact C-N 3.33Å; S427-E429 PolarHBondContact O-N 3.22Å; E429-F431 VanDerWaalsContact C-N 3.34Å; E429-F431 PolarHBondContact O-N 2.98Å
430	T	76.1	Confident	86.1	Confident	2 Å²	2	59.2 Å²	59.2	1%	0.012	31%	0.311	C	S	.	.	S	Bend	trans	-64.4	-34.3	-173.2	-159.7	0	0	0	0	113.9	I426 S427 D446 R448	I426-T430 HydrophobicContact CG2-CG2 3.77Å; S427-T430 WeakPolarHBondContact O-CB 3.44Å; S427-T430 VanDerWaalsContact O-CG2 3.24Å; S427-T430 WeakPolarHBondContact O-CG2 3.48Å; S427-T430 PolarHBondContact O-N 2.91Å; T430-D446 CarbonylContact C-O 3.5Å; T430-D446 VanDerWaalsContact C-O 3.31Å; T430-D446 WeakPolarHBondContact CB-O 3.18Å; T430-D446 WeakPolarHBondContact CG2-O 3.05Å; T430-D446 PolarHBondContact OG1-O 2.93Å; T430-R448 WeakPolarHBondContact OG1-CB 3.49Å; T430-R448 WeakPolarHBondContact OG1-CG 3.34Å; T430-R448 PolarHBondContact OG1-N 3.24Å
431	F	83.6	Confident	86.8	Confident	9 Å²	9	56.7 Å²	56.7	4%	0.039	30%	0.3	C	S	.	.	S	Bend	trans	-153.3	154.1	170.7	54.8	-109.1	0	0	0	110.3	E429 L445 D446 C447 W459 C499 R510 A512	E429-F431 VanDerWaalsContact C-N 3.34Å; E429-F431 PolarHBondContact O-N 2.98Å; F431-L445 HydrophobicContact CB-CD2 4.44Å; F431-D446 VanDerWaalsContact CD1-O 3.28Å; F431-D446 WeakPolarHBondContact CD1-O 3.45Å; F431-C447 HydrophobicContact CD1-CB 4.47Å; F431-C447 HydrophobicContact CE1-CB 4.06Å; F431-W459 AromaticContact CD1-CH2 3.7Å; F431-W459 HydrophobicContact CD1-CH2 3.7Å; F431-W459 AromaticContact CD1-CZ2 3.91Å; F431-W459 HydrophobicContact CD1-CZ2 3.91Å; F431-W459 AromaticContact CE1-CH2 3.4Å; F431-W459 HydrophobicContact CE1-CH2 3.4Å; F431-W459 AromaticContact CE1-CZ2 3.7Å; F431-W459 HydrophobicContact CE1-CZ2 3.7Å; F431-W459 HydrophobicContact CE1-CZ3 4.44Å; F431-W459 HydrophobicContact CE2-CH2 4.33Å; F431-W459 HydrophobicContact CG-CH2 4.36Å; F431-W459 AromaticContact CZ-CH2 3.74Å; F431-W459 HydrophobicContact CZ-CH2 3.74Å; F431-W459 HydrophobicContact CZ-CZ2 4.45Å; F431-W459 HydrophobicContact CZ-CZ3 4.42Å; F431-C499 HydrophobicContact CE1-CB 3.91Å; F431-C499 HydrophobicContact CZ-CB 4.06Å; F431-R510 HydrophobicContact CE2-CB 4.15Å; F431-R510 HydrophobicContact CZ-CB 3.62Å; F431-A512 HydrophobicContact CD2-CB 3.89Å; F431-A512 HydrophobicContact CE2-CB 3.93Å
432	P	84.5	Confident	87.1	Confident	67 Å²	67	56 Å²	56	44%	0.435	30%	0.301	S	S	.	.			trans	-71.5	143.6	176.2	29.5	-35.7	0	0	0	112	H434 L435	P432-H434 PolarHBondContact O-N 2.89Å; P432-L435 HydrophobicContact CB-CD1 4.31Å; P432-L435 HydrophobicContact CG-CD1 3.29Å
433	N	82.3	Confident	87.3	Confident	81 Å²	81	55.9 Å²	55.9	43%	0.433	30%	0.3	S	S	.	.	S	Bend	trans	-66.5	-24.6	179.1	-65.4	-24.6	0	0	0	113.1	R510 T513	N433-R510 PolarHBondContact OD1-NH2 3.12Å; N433-T513 PolarHBondContact O-N 2.83Å
434	H	87.1	Confident	87.6	Confident	113 Å²	113	57.2 Å²	57.2	52%	0.523	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	130.1	-178.4	-62	-69.9	0	0	0	110	P432 T513	P432-H434 PolarHBondContact O-N 2.89Å; H434-T513 WeakPolarHBondContact CA-O 3.3Å
435	L	89.4	Confident	87.7	Confident	40 Å²	40	57 Å²	57	21%	0.209	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	125.5	-179.9	-144.6	71.1	0	0	0	109.4	P432 L437 V443 L445 T513 I514 R515	P432-L435 HydrophobicContact CB-CD1 4.31Å; P432-L435 HydrophobicContact CG-CD1 3.29Å; L435-L437 HydrophobicContact CD2-CD1 4.13Å; L435-L437 HydrophobicContact CD2-CD2 3.79Å; L435-L437 HydrophobicContact CD2-CG 4.19Å; L435-L437 HydrophobicContact CG-CD2 3.93Å; L435-L437 HydrophobicContact CG-CG 4.26Å; L435-V443 HydrophobicContact CD2-CG1 3.73Å; L435-L445 HydrophobicContact CD2-CD2 4.13Å; L435-T513 PolarHBondContact N-O 2.83Å; L435-I514 WeakPolarHBondContact O-CA 3.41Å; L435-R515 PolarHBondContact O-N 2.77Å
436	N	90.5	Very high	87.9	Confident	117 Å²	117	56.7 Å²	56.7	63%	0.626	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105	124.8	174.3	-64.9	-34.6	0	0	0	108	R515	N436-R515 WeakPolarHBondContact CA-O 3.3Å; N436-R515 WeakPolarHBondContact OD1-CB 3.5Å
437	L	91.3	Very high	88	Confident	24 Å²	24	56.6 Å²	56.6	13%	0.126	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	150.7	-169.8	-59.3	175.7	0	0	0	111.6	L435 V443 I489 I514 R515 V516 N517	L435-L437 HydrophobicContact CD2-CD1 4.13Å; L435-L437 HydrophobicContact CD2-CD2 3.79Å; L435-L437 HydrophobicContact CD2-CG 4.19Å; L435-L437 HydrophobicContact CG-CD2 3.93Å; L435-L437 HydrophobicContact CG-CG 4.26Å; L437-V443 HydrophobicContact CD1-CB 4.21Å; L437-V443 HydrophobicContact CD1-CG1 4.34Å; L437-V443 HydrophobicContact CD1-CG2 3.49Å; L437-V443 VanDerWaalsContact CD1-CG2 3.49Å; L437-V443 HydrophobicContact CD2-CG2 3.62Å; L437-V443 HydrophobicContact CG-CG2 4.18Å; L437-I489 HydrophobicContact CD1-CD1 3.32Å; L437-I514 HydrophobicContact CD1-CG2 3.58Å; L437-I514 HydrophobicContact CG-CG2 4.35Å; L437-R515 PolarHBondContact N-O 3.17Å; L437-V516 CarbonylContact O-C 3.47Å; L437-V516 WeakPolarHBondContact O-CA 3.22Å; L437-N517 PolarHBondContact O-N 3.46Å
438	D	91.4	Very high	88.2	Confident	110 Å²	110	56.7 Å²	56.7	59%	0.588	30%	0.299	S	S	*	.			trans	-92	155	172.6	-64.2	-42.8	0	0	0	111.4	M441	D438-M441 HydrophobicContact CB-CG 4.27Å; D438-M441 WeakPolarHBondContact O-CG 3.48Å; D438-M441 PolarHBondContact O-N 3.01Å
439	I	92	Very high	89	Confident	81 Å²	81	51.7 Å²	51.7	42%	0.415	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	138.7	179.6	-59.2	168.5	0	0	0	109.5	I489 I491 V516 N517	I439-I489 CarbonylContact C-O 3.54Å; I439-I489 WeakPolarHBondContact CA-O 3.38Å; I439-I491 HydrophobicContact CD1-CD1 3.99Å; I439-I491 HydrophobicContact CD1-CG1 3.92Å; I439-I491 HydrophobicContact CG1-CG1 4.29Å; I439-V516 HydrophobicContact CG1-CG1 3.81Å; I439-N517 HydrophobicContact CD1-CB 4.45Å; I439-N517 HydrophobicContact CG1-CB 4.46Å
440	G	90.3	Very high	89.6	Confident	39 Å²	39	47.8 Å²	47.8	40%	0.402	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.1	-8.3	177.7	0	0	0	0	0	115	N488 I489	G440-N488 WeakPolarHBondContact CA-OD1 3.38Å; G440-I489 PolarHBondContact N-O 3.02Å
441	M	92.3	Very high	90.3	Very high	102 Å²	102	47.7 Å²	47.7	50%	0.502	26%	0.258	S	S	.	.			trans	-70.7	150.8	177.7	-67.6	-69.6	-73.5	0	0	112.1	D438 N488 I489	D438-M441 HydrophobicContact CB-CG 4.27Å; D438-M441 WeakPolarHBondContact O-CG 3.48Å; D438-M441 PolarHBondContact O-N 3.01Å; M441-N488 PolarHBondContact O-N 2.72Å; M441-I489 WeakPolarHBondContact O-CB 3.5Å; M441-I489 PolarHBondContact O-N 2.6Å
442	T	93.9	Very high	90.7	Very high	61 Å²	61	50.3 Å²	50.3	37%	0.374	27%	0.27	S	S	.	.			trans	-102.8	131.2	165.1	-63.4	0	0	0	0	108.8	F444 E485 I486	T442-F444 HydrophobicContact CG2-CE2 4.05Å; T442-F444 HydrophobicContact CG2-CZ 3.89Å; T442-E485 HydrophobicContact CG2-CG 3.86Å; T442-I486 WeakPolarHBondContact CA-O 3.33Å
443	V	92.4	Very high	91.1	Very high	13 Å²	13	49.1 Å²	49.1	8%	0.079	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	144.1	-177.4	169.7	0	0	0	0	111.5	L435 L437 L445 E485 I486 I489	L435-V443 HydrophobicContact CD2-CG1 3.73Å; L437-V443 HydrophobicContact CD1-CB 4.21Å; L437-V443 HydrophobicContact CD1-CG1 4.34Å; L437-V443 HydrophobicContact CD1-CG2 3.49Å; L437-V443 VanDerWaalsContact CD1-CG2 3.49Å; L437-V443 HydrophobicContact CD2-CG2 3.62Å; L437-V443 HydrophobicContact CG-CG2 4.18Å; V443-L445 HydrophobicContact CG1-CD2 4.09Å; V443-L445 HydrophobicContact CG1-CG 4.25Å; V443-E485 WeakPolarHBondContact O-CA 3.18Å; V443-I486 PolarHBondContact N-O 2.9Å; V443-I486 PolarHBondContact O-N 3.17Å; V443-I489 HydrophobicContact CB-CD1 3.87Å; V443-I489 HydrophobicContact CG2-CD1 3.73Å
444	F	92.1	Very high	91.5	Very high	117 Å²	117	49.6 Å²	49.6	51%	0.513	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	123.5	177	-57.4	-84.8	0	0	0	109	T442 T483 L484 E485	T442-F444 HydrophobicContact CG2-CE2 4.05Å; T442-F444 HydrophobicContact CG2-CZ 3.89Å; F444-T483 HydrophobicContact CB-CG2 3.95Å; F444-T483 HydrophobicContact CD1-CG2 4.32Å; F444-L484 CarbonylContact C-O 3.13Å; F444-L484 WeakPolarHBondContact CA-O 3.45Å; F444-E485 HydrophobicContact CD1-CB 3.93Å; F444-E485 HydrophobicContact CD1-CG 4.07Å; F444-E485 HydrophobicContact CE1-CB 3.86Å; F444-E485 HydrophobicContact CE1-CG 3.56Å; F444-E485 HydrophobicContact CZ-CG 4.2Å
445	L	92.7	Very high	91.7	Very high	2 Å²	2	45 Å²	45	1%	0.01	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	102.5	174.2	-61.4	177.8	0	0	0	108.8	F431 L435 V443 C447 W459 T483 L484 I486 A512 I514	F431-L445 HydrophobicContact CB-CD2 4.44Å; L435-L445 HydrophobicContact CD2-CD2 4.13Å; V443-L445 HydrophobicContact CG1-CD2 4.09Å; V443-L445 HydrophobicContact CG1-CG 4.25Å; L445-C447 PolarHBondContact O-N 2.75Å; L445-W459 HydrophobicContact CB-CH2 3.73Å; L445-W459 HydrophobicContact CB-CZ2 3.69Å; L445-W459 HydrophobicContact CD1-CH2 3.92Å; L445-W459 HydrophobicContact CD1-CZ3 4.07Å; L445-W459 HydrophobicContact CG-CH2 4.47Å; L445-T483 CarbonylContact O-C 3.57Å; L445-T483 WeakPolarHBondContact O-CA 3.44Å; L445-L484 HydrophobicContact CB-CB 4.39Å; L445-L484 PolarHBondContact N-O 3.28Å; L445-L484 PolarHBondContact O-N 3.46Å; L445-I486 HydrophobicContact CD1-CD1 4.38Å; L445-A512 HydrophobicContact CD1-CB 4.12Å; L445-I514 HydrophobicContact CD1-CD1 4.07Å
446	D	92.1	Very high	91.8	Very high	7 Å²	7	48.2 Å²	48.2	4%	0.037	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	110.4	-178.9	-70.8	-44.9	0	0	0	109.8	H276 K277 T430 F431 R448 T483	H276-D446 IonicContact CE1-OD2 3.16Å; H276-D446 IonicContact ND1-OD2 3.23Å; K277-D446 IonicContact NZ-OD1 2.99Å; K277-D446 PolarHBondContact NZ-OD1 3.22Å; K277-D446 IonicContact NZ-OD2 3.91Å; K277-D446 PolarHBondContact NZ-OD2 3.23Å; T430-D446 CarbonylContact C-O 3.5Å; T430-D446 VanDerWaalsContact C-O 3.31Å; T430-D446 WeakPolarHBondContact CB-O 3.18Å; T430-D446 WeakPolarHBondContact CG2-O 3.05Å; T430-D446 PolarHBondContact OG1-O 2.93Å; F431-D446 VanDerWaalsContact CD1-O 3.28Å; F431-D446 WeakPolarHBondContact CD1-O 3.45Å; D446-R448 IonicContact OD1-CZ 2.83Å; D446-R448 IonicContact OD1-NH1 3.94Å; D446-R448 IonicContact OD1-NH2 3Å; D446-R448 PolarHBondContact OD1-NH2 3.01Å; D446-T483 VanDerWaalsContact OD1-CB 3.3Å; D446-T483 WeakPolarHBondContact OD1-CB 3.32Å; D446-T483 WeakPolarHBondContact OD1-CG2 3.33Å; D446-T483 PolarHBondContact OD1-OG1 3.36Å
447	C	92.5	Very high	91.9	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.234	C	C	.	.			trans	-102.8	111.1	171.2	-168.9	0	0	0	0	110.7	F431 L445 I457 W459 G482 C499	F431-C447 HydrophobicContact CD1-CB 4.47Å; F431-C447 HydrophobicContact CE1-CB 4.06Å; L445-C447 PolarHBondContact O-N 2.75Å; C447-I457 HydrophobicContact CB-CG2 4.16Å; C447-I457 WeakPolarHBondContact O-CD1 3.33Å; C447-W459 HydrophobicContact CB-CZ2 3.7Å; C447-G482 WeakPolarHBondContact CB-O 3.24Å; C447-G482 PolarHBondContact N-O 3.24Å; C447-C499 HydrophobicContact CB-CB 3.8Å; C447-C499 WeakPolarHBondContact CB-SG 3.45Å; C447-C499 WeakPolarHBondContact SG-CB 3.39Å; C447-C499 CovalentContact SG-SG 2.01Å; C447-C499 PolarHBondContact SG-SG 3.12Å
448	R	92.4	Very high	91.7	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.008	23%	0.23	C	C	.	.			trans	-113.3	124.8	179	-56.5	-60.6	-176.8	-103.8	-4.2	110	D304 Y327 S427 T430 D446 E481 T483	D304-R448 IonicContact OD1-CZ 3.19Å; D304-R448 IonicContact OD1-NE 2.85Å; D304-R448 PolarHBondContact OD1-NE 3.44Å; D304-R448 IonicContact OD1-NH2 3.95Å; D304-R448 PolarHBondContact OD1-NH2 2.87Å; D304-R448 IonicContact OD2-CZ 2.93Å; D304-R448 IonicContact OD2-NH2 2.7Å; D304-R448 PolarHBondContact OD2-NH2 3.14Å; Y327-R448 HydrophobicContact CD1-CB 3.73Å; Y327-R448 HydrophobicContact CD1-CG 3.81Å; Y327-R448 HydrophobicContact CD2-CB 3.8Å; Y327-R448 HydrophobicContact CE1-CB 4.15Å; Y327-R448 HydrophobicContact CE1-CG 4.26Å; Y327-R448 HydrophobicContact CE2-CB 4.2Å; Y327-R448 HydrophobicContact CG-CB 3.53Å; Y327-R448 HydrophobicContact CG-CG 4.07Å; S427-R448 PolarHBondContact N-O 3.1Å; T430-R448 WeakPolarHBondContact OG1-CB 3.49Å; T430-R448 WeakPolarHBondContact OG1-CG 3.34Å; T430-R448 PolarHBondContact OG1-N 3.24Å; D446-R448 IonicContact OD1-CZ 2.83Å; D446-R448 IonicContact OD1-NH1 3.94Å; D446-R448 IonicContact OD1-NH2 3Å; D446-R448 PolarHBondContact OD1-NH2 3.01Å; R448-E481 PolarHBondContact NH1-O 3.21Å; R448-T483 PolarHBondContact NH1-OG1 3.27Å; R448-T483 PolarHBondContact NH2-OG1 2.96Å; R448-T483 VanDerWaalsContact NH2-OG1 3.12Å
449	A	91.4	Very high	91.6	Very high	3 Å²	3	38.3 Å²	38.3	3%	0.025	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	145	-178	0	0	0	0	0	112.3	Y327 M425 I426 P455 I457 A501	Y327-A449 WeakPolarHBondContact CE2-O 3.41Å; M425-A449 CarbonylContact O-C 3.55Å; M425-A449 WeakPolarHBondContact O-CA 3.5Å; I426-A449 HydrophobicContact CG1-CB 4.08Å; A449-P455 HydrophobicContact CB-CG 3.97Å; A449-I457 HydrophobicContact CB-CD1 4.23Å; A449-A501 HydrophobicContact CB-CB 3.42Å; A449-A501 VanDerWaalsContact CB-CB 3.42Å
450	M	91.4	Very high	91.1	Very high	13 Å²	13	35.2 Å²	35.2	6%	0.064	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	132.1	176.7	-59	-172.7	84	0	0	110.6	Y327 N350 A351 Y353 V378 P424 M425	Y327-M450 HydrophobicContact CD2-CG 3.7Å; Y327-M450 HydrophobicContact CD2-SD 4.31Å; Y327-M450 HydrophobicContact CE2-CG 3.72Å; N350-M450 HydrophobicContact CB-SD 4.47Å; A351-M450 HydrophobicContact CB-CE 3.94Å; A351-M450 HydrophobicContact CB-SD 4.41Å; A351-M450 WeakPolarHBondContact O-CE 3.45Å; Y353-M450 HydrophobicContact CD2-CE 3.76Å; Y353-M450 HydrophobicContact CE2-CE 3.45Å; Y353-M450 VanDerWaalsContact CE2-CE 3.45Å; Y353-M450 HydrophobicContact CE2-CG 4.39Å; Y353-M450 WeakPolarHBondContact OH-CA 3.48Å; V378-M450 HydrophobicContact CG1-CE 4.21Å; P424-M450 CarbonylContact C-O 3.53Å; P424-M450 WeakPolarHBondContact CA-O 3.3Å; M425-M450 PolarHBondContact N-O 3Å; M425-M450 PolarHBondContact O-N 3.07Å
451	A	91.5	Very high	90.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.9	165.6	173.5	0	0	0	0	0	110	Y353 P424 P455	Y353-A451 PolarHBondContact OH-N 3.35Å; Y353-A451 PolarHBondContact OH-O 3.27Å; P424-A451 HydrophobicContact CB-CB 3.98Å; P424-A451 HydrophobicContact CG-CB 3.99Å; A451-P455 HydrophobicContact CB-CB 4.37Å; A451-P455 HydrophobicContact CB-CG 4.07Å
452	E	91.3	Very high	89.8	Confident	65 Å²	65	29.7 Å²	29.7	30%	0.304	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	128.1	159.2	-168	64.9	-120.7	0	0	107.6	C377 E420 Q421 C422	C377-E452 VanDerWaalsContact SG-CB 3.51Å; E420-E452 WeakPolarHBondContact O-CG 3.5Å; Q421-E452 CarbonylContact C-O 3.56Å; Q421-E452 WeakPolarHBondContact CA-O 3.43Å; C422-E452 PolarHBondContact N-O 2.93Å
453	P	92.6	Very high	88.7	Confident	42 Å²	42	32.9 Å²	32.9	27%	0.273	17%	0.165	S	C	.	.	S	Bend	cis	-59.7	157.6	-12.3	-18.8	33.6	0	0	0	112.5	N503 I504	P453-N503 PolarHBondContact O-ND2 3.16Å; P453-N503 VanDerWaalsContact O-ND2 3.16Å; P453-I504 HydrophobicContact CG-CD1 3.91Å; P453-I504 HydrophobicContact CG-CG1 4.13Å
454	E	91.3	Very high	87.5	Confident	91 Å²	91	33.2 Å²	33.2	43%	0.425	17%	0.172	S	C	.	.	P	Polyproline II helix	trans	-51.2	128.6	179.6	-170.3	170.8	-178.3	0	0	111.7	H329 R330	H329-E454 IonicContact NE2-OE1 3.12Å; R330-E454 IonicContact CZ-OE2 2.81Å; R330-E454 IonicContact NE-OE2 3.16Å; R330-E454 PolarHBondContact NE-OE2 3.13Å; R330-E454 IonicContact NH2-OE2 2.83Å; R330-E454 PolarHBondContact NH2-OE2 3.04Å
455	P	91.8	Very high	86.6	Confident	15 Å²	15	32.1 Å²	32.1	10%	0.097	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-79.7	143.8	-173.7	31.4	-33.2	0	0	0	112.5	P424 A449 A451 A501 Q502 N503	P424-P455 HydrophobicContact CB-CB 4.02Å; P424-P455 HydrophobicContact CB-CG 4.41Å; P424-P455 HydrophobicContact CG-CB 3.97Å; A449-P455 HydrophobicContact CB-CG 3.97Å; A451-P455 HydrophobicContact CB-CB 4.37Å; A451-P455 HydrophobicContact CB-CG 4.07Å; P455-A501 HydrophobicContact CB-CB 4.19Å; P455-A501 HydrophobicContact CG-CB 4.45Å; P455-Q502 CarbonylContact C-O 3.51Å; P455-Q502 WeakPolarHBondContact CA-O 3.48Å; P455-N503 HydrophobicContact CB-CB 4.48Å
456	E	90.6	Very high	86	Confident	108 Å²	108	37 Å²	37	51%	0.505	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	126.3	164.5	-173.4	-170.5	146.5	0	0	108.8	K466 Q502	E456-K466 IonicContact OE1-NZ 3.64Å; E456-K466 PolarHBondContact OE1-NZ 3.26Å; E456-Q502 PolarHBondContact N-O 2.79Å; E456-Q502 PolarHBondContact O-N 3.45Å
457	I	91.9	Very high	85.8	Confident	33 Å²	33	37 Å²	37	17%	0.169	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	130.6	177.8	-59	179.1	0	0	0	109.5	C447 A449 V500 A501	C447-I457 HydrophobicContact CB-CG2 4.16Å; C447-I457 WeakPolarHBondContact O-CD1 3.33Å; A449-I457 HydrophobicContact CB-CD1 4.23Å; I457-V500 WeakPolarHBondContact CA-O 3.22Å; I457-A501 HydrophobicContact CG1-CB 4.43Å
458	Y	88.4	Confident	85.6	Confident	10 Å²	10	38.6 Å²	38.6	4%	0.039	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	162.3	170.9	62.6	-92.3	0	0	0	110.9	V460 K466 V467 V500 Q502	Y458-V460 HydrophobicContact CD2-CG2 4.22Å; Y458-V460 HydrophobicContact CE2-CG2 4.03Å; Y458-K466 HydrophobicContact CD2-CD 3.98Å; Y458-K466 HydrophobicContact CD2-CG 3.7Å; Y458-K466 HydrophobicContact CE2-CD 4.19Å; Y458-K466 HydrophobicContact CE2-CG 4.23Å; Y458-K466 HydrophobicContact CG-CD 4.27Å; Y458-K466 HydrophobicContact CG-CG 4.19Å; Y458-V467 WeakPolarHBondContact CB-O 3.47Å; Y458-V500 HydrophobicContact CD1-CB 4.32Å; Y458-V500 HydrophobicContact CD2-CB 4Å; Y458-V500 HydrophobicContact CD2-CG2 4.25Å; Y458-V500 HydrophobicContact CE1-CB 3.89Å; Y458-V500 HydrophobicContact CE1-CG1 3.75Å; Y458-V500 HydrophobicContact CE2-CB 3.56Å; Y458-V500 HydrophobicContact CE2-CG1 4.01Å; Y458-V500 HydrophobicContact CE2-CG2 3.67Å; Y458-V500 HydrophobicContact CG-CB 4.37Å; Y458-V500 VanDerWaalsContact CZ-CG1 3.42Å; Y458-V500 PolarHBondContact N-O 2.66Å; Y458-V500 PolarHBondContact O-N 2.79Å; Y458-V500 WeakPolarHBondContact OH-CG1 3.5Å; Y458-Q502 HydrophobicContact CE1-CB 4.31Å; Y458-Q502 PolarHBondContact OH-OE1 3.05Å
459	W	88.2	Confident	85.3	Confident	1 Å²	1	41.9 Å²	41.9	0%	0.004	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	146.7	178.5	-77.8	83.1	0	0	0	111.5	F431 L445 C447 K466 V467 G482 L484 T498 C499	F431-W459 AromaticContact CD1-CH2 3.7Å; F431-W459 HydrophobicContact CD1-CH2 3.7Å; F431-W459 AromaticContact CD1-CZ2 3.91Å; F431-W459 HydrophobicContact CD1-CZ2 3.91Å; F431-W459 AromaticContact CE1-CH2 3.4Å; F431-W459 HydrophobicContact CE1-CH2 3.4Å; F431-W459 AromaticContact CE1-CZ2 3.7Å; F431-W459 HydrophobicContact CE1-CZ2 3.7Å; F431-W459 HydrophobicContact CE1-CZ3 4.44Å; F431-W459 HydrophobicContact CE2-CH2 4.33Å; F431-W459 HydrophobicContact CG-CH2 4.36Å; F431-W459 AromaticContact CZ-CH2 3.74Å; F431-W459 HydrophobicContact CZ-CH2 3.74Å; F431-W459 HydrophobicContact CZ-CZ2 4.45Å; F431-W459 HydrophobicContact CZ-CZ3 4.42Å; L445-W459 HydrophobicContact CB-CH2 3.73Å; L445-W459 HydrophobicContact CB-CZ2 3.69Å; L445-W459 HydrophobicContact CD1-CH2 3.92Å; L445-W459 HydrophobicContact CD1-CZ3 4.07Å; L445-W459 HydrophobicContact CG-CH2 4.47Å; C447-W459 HydrophobicContact CB-CZ2 3.7Å; W459-K466 CarbonylContact O-C 3.45Å; W459-V467 HydrophobicContact CB-CB 4.43Å; W459-V467 PolarHBondContact N-O 2.97Å; W459-V467 PolarHBondContact O-N 3.35Å; W459-G482 PolarHBondContact NE1-O 3.12Å; W459-G482 VanDerWaalsContact NE1-O 3.14Å; W459-L484 HydrophobicContact CB-CD1 4.35Å; W459-L484 HydrophobicContact CB-CD2 3.98Å; W459-L484 HydrophobicContact CD2-CB 3.97Å; W459-L484 HydrophobicContact CD2-CD2 3.84Å; W459-L484 HydrophobicContact CE3-CD2 4.01Å; W459-L484 HydrophobicContact CG-CB 3.88Å; W459-L484 HydrophobicContact CG-CD1 4.46Å; W459-L484 HydrophobicContact CG-CD2 3.87Å; W459-L484 HydrophobicContact CG-CG 4.29Å; W459-L484 HydrophobicContact CZ2-CB 4.42Å; W459-T498 CarbonylContact C-O 3.54Å; W459-T498 WeakPolarHBondContact CA-O 3.48Å; W459-T498 VanDerWaalsContact CE3-C 3.44Å; W459-C499 HydrophobicContact CD2-CB 3.91Å; W459-C499 HydrophobicContact CE3-CB 3.98Å; W459-C499 HydrophobicContact CH2-CB 3.78Å; W459-C499 HydrophobicContact CZ2-CB 3.7Å; W459-C499 HydrophobicContact CZ3-CB 3.91Å
460	V	81.1	Confident	84.9	Confident	16 Å²	16	50.1 Å²	50.1	10%	0.097	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	121	172.6	-174.9	0	0	0	0	108.2	Y458 N465 Y497 T498 V500	Y458-V460 HydrophobicContact CD2-CG2 4.22Å; Y458-V460 HydrophobicContact CE2-CG2 4.03Å; V460-N465 WeakPolarHBondContact CA-O 3.47Å; V460-Y497 WeakPolarHBondContact O-CA 3.49Å; V460-T498 PolarHBondContact N-O 2.96Å; V460-T498 PolarHBondContact O-N 2.76Å; V460-V500 HydrophobicContact CG2-CG2 4.22Å
461	T	81.9	Confident	84.5	Confident	3 Å²	3	51.5 Å²	51.5	2%	0.018	28%	0.279	C	S	.	.			trans	-71.3	164.5	177.1	63.1	0	0	0	0	111.4	L463 G464 N465 V467 Y476 Y497 N548	T461-L463 PolarHBondContact O-N 3.01Å; T461-G464 PolarHBondContact O-N 3.27Å; T461-N465 HydrophobicContact CG2-CB 4.44Å; T461-N465 PolarHBondContact N-O 2.87Å; T461-N465 WeakPolarHBondContact OG1-CB 3.26Å; T461-N465 PolarHBondContact OG1-N 3.21Å; T461-N465 VanDerWaalsContact OG1-N 3.1Å; T461-N465 PolarHBondContact OG1-O 3.29Å; T461-V467 HydrophobicContact CG2-CG2 3.74Å; T461-Y476 HydrophobicContact CG2-CD2 4.35Å; T461-Y476 HydrophobicContact CG2-CE1 4.2Å; T461-Y476 HydrophobicContact CG2-CE2 4.02Å; T461-Y497 HydrophobicContact CG2-CE1 4.25Å; T461-N548 PolarHBondContact O-OD1 3.15Å
462	P	74.1	Confident	83.9	Confident	22 Å²	22	60.2 Å²	60.2	14%	0.143	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-24.2	176.1	-26.6	34.2	0	0	0	114.4	G464 Y497 N548	P462-G464 VanDerWaalsContact C-N 3.33Å; P462-Y497 VanDerWaalsContact CD-CE1 3.49Å; P462-Y497 HydrophobicContact CG-CD2 3.89Å; P462-Y497 HydrophobicContact CG-CE1 4.35Å; P462-Y497 HydrophobicContact CG-CE2 3.52Å; P462-Y497 HydrophobicContact CG-CG 4.45Å; P462-N548 PolarHBondContact O-ND2 3.34Å
463	L	70.4	Confident	83.6	Confident	127 Å²	127	59.3 Å²	59.3	67%	0.665	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-5	176.9	-60.7	177.5	0	0	0	113.6	T461	T461-L463 PolarHBondContact O-N 3.01Å
464	G	66.9	Low	83.2	Confident	20 Å²	20	64.7 Å²	64.7	21%	0.206	35%	0.352	C	S	.	.			trans	89.2	3.8	-177.8	0	0	0	0	0	114.9	T461 P462	T461-G464 PolarHBondContact O-N 3.27Å; P462-G464 VanDerWaalsContact C-N 3.33Å
465	N	75.1	Confident	83.1	Confident	95 Å²	95	62.6 Å²	62.6	51%	0.508	34%	0.341	S	S	.	.			trans	-73.7	131.2	178.5	-57.5	-41.6	0	0	0	111	V460 T461	V460-N465 WeakPolarHBondContact CA-O 3.47Å; T461-N465 HydrophobicContact CG2-CB 4.44Å; T461-N465 PolarHBondContact N-O 2.87Å; T461-N465 WeakPolarHBondContact OG1-CB 3.26Å; T461-N465 PolarHBondContact OG1-N 3.21Å; T461-N465 VanDerWaalsContact OG1-N 3.1Å; T461-N465 PolarHBondContact OG1-O 3.29Å
466	K	80	Confident	83.1	Confident	103 Å²	103	63.5 Å²	63.5	45%	0.448	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	123.9	171.6	-176.1	178.9	-179.5	-175.1	0	109.8	E456 Y458 W459 T468	E456-K466 IonicContact OE1-NZ 3.64Å; E456-K466 PolarHBondContact OE1-NZ 3.26Å; Y458-K466 HydrophobicContact CD2-CD 3.98Å; Y458-K466 HydrophobicContact CD2-CG 3.7Å; Y458-K466 HydrophobicContact CE2-CD 4.19Å; Y458-K466 HydrophobicContact CE2-CG 4.23Å; Y458-K466 HydrophobicContact CG-CD 4.27Å; Y458-K466 HydrophobicContact CG-CG 4.19Å; W459-K466 CarbonylContact O-C 3.45Å; K466-T468 HydrophobicContact CD-CG2 4.15Å; K466-T468 HydrophobicContact CG-CG2 4.09Å
467	V	86.8	Confident	83.2	Confident	8 Å²	8	63.6 Å²	63.6	5%	0.048	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	119.9	174.5	-176.2	0	0	0	0	108.5	Y458 W459 T461 Y476 L478 L484	Y458-V467 WeakPolarHBondContact CB-O 3.47Å; W459-V467 HydrophobicContact CB-CB 4.43Å; W459-V467 PolarHBondContact N-O 2.97Å; W459-V467 PolarHBondContact O-N 3.35Å; T461-V467 HydrophobicContact CG2-CG2 3.74Å; V467-Y476 HydrophobicContact CG2-CG 4.37Å; V467-L478 HydrophobicContact CG1-CB 4.31Å; V467-L484 HydrophobicContact CG1-CD1 4.04Å
468	T	88.3	Confident	83.3	Confident	34 Å²	34	62.9 Å²	62.9	21%	0.209	34%	0.338	C	S	.	.			trans	-117	169.4	176.2	62.1	0	0	0	0	110.3	K466 E470 S471	K466-T468 HydrophobicContact CD-CG2 4.15Å; K466-T468 HydrophobicContact CG-CG2 4.09Å; T468-E470 PolarHBondContact O-N 2.65Å; T468-E470 VanDerWaalsContact O-N 3.15Å; T468-S471 PolarHBondContact N-OG 3.21Å; T468-S471 VanDerWaalsContact O-CB 3.24Å; T468-S471 WeakPolarHBondContact O-CB 3.3Å; T468-S471 PolarHBondContact O-N 2.85Å; T468-S471 PolarHBondContact O-OG 3.05Å; T468-S471 PolarHBondContact OG1-OG 2.84Å
469	A	85.5	Confident	83.3	Confident	70 Å²	70	64.6 Å²	64.6	58%	0.579	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-24	176.4	0	0	0	0	0	113.3
470	E	84.8	Confident	83.2	Confident	176 Å²	176	69.3 Å²	69.3	82%	0.822	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-4.9	178.8	-59.9	178.2	173.7	0	0	113.3	T468 L472	T468-E470 PolarHBondContact O-N 2.65Å; T468-E470 VanDerWaalsContact O-N 3.15Å; E470-L472 PolarHBondContact O-N 3.44Å
471	S	82.1	Confident	83.4	Confident	43 Å²	43	69.9 Å²	69.9	30%	0.301	39%	0.386	S	S	.	.			trans	-67.6	122.2	-177.4	-65.8	0	0	0	0	111	T468 S473	T468-S471 PolarHBondContact N-OG 3.21Å; T468-S471 VanDerWaalsContact O-CB 3.24Å; T468-S471 WeakPolarHBondContact O-CB 3.3Å; T468-S471 PolarHBondContact O-N 2.85Å; T468-S471 PolarHBondContact O-OG 3.05Å; T468-S471 PolarHBondContact OG1-OG 2.84Å; S471-S473 PolarHBondContact O-N 3.1Å
472	L	79.3	Confident	83.7	Confident	183 Å²	183	69.9 Å²	69.9	96%	0.958	39%	0.387	S	S	*	.			trans	-85.8	95.2	176.5	-65.6	170.1	0	0	0	109.6	E470	E470-L472 PolarHBondContact O-N 3.44Å
473	S	84.5	Confident	84.6	Confident	45 Å²	45	69.4 Å²	69.4	32%	0.315	38%	0.383	S	S	.	.			trans	-143	134.1	173.9	178.4	0	0	0	0	110.2	S471 K475 Y476	S471-S473 PolarHBondContact O-N 3.1Å; S473-K475 PolarHBondContact O-N 3.15Å; S473-K475 PolarHBondContact OG-N 3.35Å; S473-Y476 PolarHBondContact OG-N 3.03Å
474	D	84.3	Confident	85.8	Confident	156 Å²	156	63.3 Å²	63.3	83%	0.834	35%	0.352	S	S	*	.	S	Bend	trans	-72.2	-21	172	-65.9	-35.9	0	0	0	111.8
475	K	89.3	Confident	87.1	Confident	46 Å²	46	65 Å²	65	20%	0.2	35%	0.354	C	S	.	.	S	Bend	trans	-87.4	-43.8	-176.3	-178.6	63.7	175.8	-169.7	0	113	S473 A487 N488 D493	S473-K475 PolarHBondContact O-N 3.15Å; S473-K475 PolarHBondContact OG-N 3.35Å; K475-A487 WeakPolarHBondContact CD-O 3.4Å; K475-A487 VanDerWaalsContact CE-O 3.24Å; K475-A487 WeakPolarHBondContact CE-O 3.49Å; K475-A487 PolarHBondContact NZ-O 3Å; K475-A487 PolarHBondContact O-N 2.77Å; K475-N488 PolarHBondContact NZ-O 2.85Å; K475-D493 WeakPolarHBondContact CE-OD1 3.39Å; K475-D493 WeakPolarHBondContact CE-OD2 3.36Å; K475-D493 IonicContact NZ-OD1 2.64Å; K475-D493 IonicContact NZ-OD2 2.57Å; K475-D493 PolarHBondContact NZ-OD2 2.85Å
476	Y	92.3	Very high	88	Confident	35 Å²	35	60.4 Å²	60.4	14%	0.137	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	122.6	-173.6	-61.9	-69.2	0	0	0	109.6	T461 V467 S473 L484 E485 I486 D493 Y497	T461-Y476 HydrophobicContact CG2-CD2 4.35Å; T461-Y476 HydrophobicContact CG2-CE1 4.2Å; T461-Y476 HydrophobicContact CG2-CE2 4.02Å; V467-Y476 HydrophobicContact CG2-CG 4.37Å; S473-Y476 PolarHBondContact OG-N 3.03Å; Y476-L484 HydrophobicContact CD1-CD1 4.28Å; Y476-E485 WeakPolarHBondContact CA-O 3.42Å; Y476-I486 HydrophobicContact CD1-CG1 4.04Å; Y476-I486 HydrophobicContact CD1-CG2 4.27Å; Y476-I486 HydrophobicContact CE1-CB 4.46Å; Y476-I486 HydrophobicContact CE1-CD1 4.39Å; Y476-I486 HydrophobicContact CE1-CG1 4.04Å; Y476-I486 HydrophobicContact CE1-CG2 3.84Å; Y476-D493 PolarHBondContact OH-OD1 3.36Å; Y476-Y497 AromaticContact CE1-CE1 3.66Å; Y476-Y497 HydrophobicContact CE1-CE1 3.66Å; Y476-Y497 PolarHBondContact OH-OH 3.29Å
477	K	92.6	Very high	88.6	Confident	109 Å²	109	56.5 Å²	56.5	47%	0.474	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	135.1	172.1	-63.5	176.3	-176.6	169.5	0	109.4	E485	K477-E485 HydrophobicContact CB-CB 4.2Å; K477-E485 PolarHBondContact N-O 3.25Å; K477-E485 PolarHBondContact O-N 3.37Å
478	L	92.4	Very high	88.9	Confident	19 Å²	19	60.5 Å²	60.5	10%	0.099	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	123.1	176.1	-175.2	62.6	0	0	0	109	V467 T483 L484	V467-L478 HydrophobicContact CG1-CB 4.31Å; L478-T483 WeakPolarHBondContact CA-O 3.41Å; L478-T483 WeakPolarHBondContact CD1-O 3.3Å; L478-L484 HydrophobicContact CD1-CB 4.48Å
479	S	89.9	Confident	89.1	Confident	45 Å²	45	58.9 Å²	58.9	32%	0.315	33%	0.328	S	S	.	.			trans	-71.5	160	173	80.1	0	0	0	0	111.2	E481 G482 T483	S479-E481 PolarHBondContact O-N 3.18Å; S479-E481 VanDerWaalsContact O-N 3.15Å; S479-E481 PolarHBondContact OG-N 3.11Å; S479-G482 PolarHBondContact O-N 3.11Å; S479-G482 PolarHBondContact OG-N 3.22Å; S479-T483 PolarHBondContact N-O 3.33Å; S479-T483 VanDerWaalsContact OG-CB 3.26Å; S479-T483 WeakPolarHBondContact OG-CB 3.38Å; S479-T483 PolarHBondContact OG-N 2.99Å; S479-T483 PolarHBondContact OG-OG1 3.29Å
480	S	85.3	Confident	89.3	Confident	100 Å²	100	58.3 Å²	58.3	70%	0.699	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-20.8	172.6	54.5	0	0	0	0	113.6	G482	S480-G482 VanDerWaalsContact C-N 3.34Å
481	E	84.4	Confident	89.2	Confident	29 Å²	29	53.3 Å²	53.3	14%	0.136	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-1.1	178.8	-56.3	-63.1	121.5	0	0	112.6	R305 H329 R448 S479	R305-E481 VanDerWaalsContact CB-CD 3.47Å; R305-E481 WeakPolarHBondContact CB-OE1 3.35Å; R305-E481 VanDerWaalsContact CB-OE2 3.28Å; R305-E481 WeakPolarHBondContact CB-OE2 3.47Å; R305-E481 WeakPolarHBondContact CD-OE1 3.3Å; R305-E481 PolarHBondContact N-OE2 3.26Å; H329-E481 IonicContact CD2-OE2 3.83Å; H329-E481 PolarHBondContact CD2-OE2 3.44Å; H329-E481 IonicContact CG-OE2 2.79Å; H329-E481 IonicContact NE2-OE2 3.42Å; R448-E481 PolarHBondContact NH1-O 3.21Å; S479-E481 PolarHBondContact O-N 3.18Å; S479-E481 VanDerWaalsContact O-N 3.15Å; S479-E481 PolarHBondContact OG-N 3.11Å
482	G	90.2	Very high	89.1	Confident	3 Å²	3	58.6 Å²	58.6	3%	0.031	31%	0.311	C	S	.	.	S	Bend	trans	89.8	13.4	-179.3	0	0	0	0	0	115.2	C447 W459 S479 S480	C447-G482 WeakPolarHBondContact CB-O 3.24Å; C447-G482 PolarHBondContact N-O 3.24Å; W459-G482 PolarHBondContact NE1-O 3.12Å; W459-G482 VanDerWaalsContact NE1-O 3.14Å; S479-G482 PolarHBondContact O-N 3.11Å; S479-G482 PolarHBondContact OG-N 3.22Å; S480-G482 VanDerWaalsContact C-N 3.34Å
483	T	92.7	Very high	89.4	Confident	11 Å²	11	50.5 Å²	50.5	7%	0.067	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	119.3	176.9	-52.8	0	0	0	0	111.2	F444 L445 D446 R448 L478 S479	F444-T483 HydrophobicContact CB-CG2 3.95Å; F444-T483 HydrophobicContact CD1-CG2 4.32Å; L445-T483 CarbonylContact O-C 3.57Å; L445-T483 WeakPolarHBondContact O-CA 3.44Å; D446-T483 VanDerWaalsContact OD1-CB 3.3Å; D446-T483 WeakPolarHBondContact OD1-CB 3.32Å; D446-T483 WeakPolarHBondContact OD1-CG2 3.33Å; D446-T483 PolarHBondContact OD1-OG1 3.36Å; R448-T483 PolarHBondContact NH1-OG1 3.27Å; R448-T483 PolarHBondContact NH2-OG1 2.96Å; R448-T483 VanDerWaalsContact NH2-OG1 3.12Å; L478-T483 WeakPolarHBondContact CA-O 3.41Å; L478-T483 WeakPolarHBondContact CD1-O 3.3Å; S479-T483 PolarHBondContact N-O 3.33Å; S479-T483 VanDerWaalsContact OG-CB 3.26Å; S479-T483 WeakPolarHBondContact OG-CB 3.38Å; S479-T483 PolarHBondContact OG-N 2.99Å; S479-T483 PolarHBondContact OG-OG1 3.29Å
484	L	94	Very high	89.4	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	115.9	173	179.8	68	0	0	0	110.2	F444 L445 W459 V467 Y476 L478 I486 Y497	F444-L484 CarbonylContact C-O 3.13Å; F444-L484 WeakPolarHBondContact CA-O 3.45Å; L445-L484 HydrophobicContact CB-CB 4.39Å; L445-L484 PolarHBondContact N-O 3.28Å; L445-L484 PolarHBondContact O-N 3.46Å; W459-L484 HydrophobicContact CB-CD1 4.35Å; W459-L484 HydrophobicContact CB-CD2 3.98Å; W459-L484 HydrophobicContact CD2-CB 3.97Å; W459-L484 HydrophobicContact CD2-CD2 3.84Å; W459-L484 HydrophobicContact CE3-CD2 4.01Å; W459-L484 HydrophobicContact CG-CB 3.88Å; W459-L484 HydrophobicContact CG-CD1 4.46Å; W459-L484 HydrophobicContact CG-CD2 3.87Å; W459-L484 HydrophobicContact CG-CG 4.29Å; W459-L484 HydrophobicContact CZ2-CB 4.42Å; V467-L484 HydrophobicContact CG1-CD1 4.04Å; Y476-L484 HydrophobicContact CD1-CD1 4.28Å; L478-L484 HydrophobicContact CD1-CB 4.48Å; L484-I486 HydrophobicContact CD2-CD1 3.98Å; L484-I486 HydrophobicContact CD2-CG1 3.96Å; L484-I486 HydrophobicContact CG-CD1 4.48Å; L484-I486 HydrophobicContact CG-CG1 3.94Å; L484-Y497 HydrophobicContact CD2-CD1 3.85Å; L484-Y497 HydrophobicContact CD2-CE1 4.35Å
485	E	94.6	Very high	89.3	Confident	54 Å²	54	41.1 Å²	41.1	25%	0.252	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	125.3	166.1	179.8	-174	168.8	0	0	109.4	T442 V443 F444 Y476 K477	T442-E485 HydrophobicContact CG2-CG 3.86Å; V443-E485 WeakPolarHBondContact O-CA 3.18Å; F444-E485 HydrophobicContact CD1-CB 3.93Å; F444-E485 HydrophobicContact CD1-CG 4.07Å; F444-E485 HydrophobicContact CE1-CB 3.86Å; F444-E485 HydrophobicContact CE1-CG 3.56Å; F444-E485 HydrophobicContact CZ-CG 4.2Å; Y476-E485 WeakPolarHBondContact CA-O 3.42Å; K477-E485 HydrophobicContact CB-CB 4.2Å; K477-E485 PolarHBondContact N-O 3.25Å; K477-E485 PolarHBondContact O-N 3.37Å
486	I	94.3	Very high	88.9	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	105.6	172.6	-49.7	174.8	0	0	0	107.3	T442 V443 L445 Y476 L484 I489 Y497 I514	T442-I486 WeakPolarHBondContact CA-O 3.33Å; V443-I486 PolarHBondContact N-O 2.9Å; V443-I486 PolarHBondContact O-N 3.17Å; L445-I486 HydrophobicContact CD1-CD1 4.38Å; Y476-I486 HydrophobicContact CD1-CG1 4.04Å; Y476-I486 HydrophobicContact CD1-CG2 4.27Å; Y476-I486 HydrophobicContact CE1-CB 4.46Å; Y476-I486 HydrophobicContact CE1-CD1 4.39Å; Y476-I486 HydrophobicContact CE1-CG1 4.04Å; Y476-I486 HydrophobicContact CE1-CG2 3.84Å; L484-I486 HydrophobicContact CD2-CD1 3.98Å; L484-I486 HydrophobicContact CD2-CG1 3.96Å; L484-I486 HydrophobicContact CG-CD1 4.48Å; L484-I486 HydrophobicContact CG-CG1 3.94Å; I486-I489 HydrophobicContact CB-CD1 4.35Å; I486-I489 HydrophobicContact CB-CG1 4.33Å; I486-I489 HydrophobicContact CG2-CD1 4.18Å; I486-I489 HydrophobicContact CG2-CG1 3.72Å; I486-Y497 HydrophobicContact CD1-CD1 4.09Å; I486-Y497 HydrophobicContact CD1-CE1 3.71Å; I486-Y497 HydrophobicContact CD1-CE2 4.25Å; I486-I514 HydrophobicContact CD1-CD1 3.65Å
487	A	93.9	Very high	88.6	Confident	21 Å²	21	42.2 Å²	42.2	17%	0.174	22%	0.218	C	C	.	.			trans	-83.5	145.6	-176.5	0	0	0	0	0	112.3	K475 I489	K475-A487 WeakPolarHBondContact CD-O 3.4Å; K475-A487 VanDerWaalsContact CE-O 3.24Å; K475-A487 WeakPolarHBondContact CE-O 3.49Å; K475-A487 PolarHBondContact NZ-O 3Å; K475-A487 PolarHBondContact O-N 2.77Å; A487-I489 PolarHBondContact O-N 2.98Å
488	N	92.7	Very high	88.2	Confident	92 Å²	92	37.7 Å²	37.7	49%	0.492	20%	0.2	S	C	.	.	S	Bend	trans	48	59.3	170.8	-176.8	30.8	0	0	0	113.7	G440 M441 K475 Q490	G440-N488 WeakPolarHBondContact CA-OD1 3.38Å; M441-N488 PolarHBondContact O-N 2.72Å; K475-N488 PolarHBondContact NZ-O 2.85Å; N488-Q490 PolarHBondContact O-N 2.99Å; N488-Q490 PolarHBondContact O-NE2 2.95Å; N488-Q490 PolarHBondContact OD1-NE2 2.94Å; N488-Q490 VanDerWaalsContact OD1-NE2 3.12Å
489	I	92.2	Very high	88.1	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.195	C	C	.	.			trans	-55.8	134.3	-174.3	-84.2	177	0	0	0	112.8	L437 I439 G440 M441 V443 I486 A487 V516	L437-I489 HydrophobicContact CD1-CD1 3.32Å; I439-I489 CarbonylContact C-O 3.54Å; I439-I489 WeakPolarHBondContact CA-O 3.38Å; G440-I489 PolarHBondContact N-O 3.02Å; M441-I489 WeakPolarHBondContact O-CB 3.5Å; M441-I489 PolarHBondContact O-N 2.6Å; V443-I489 HydrophobicContact CB-CD1 3.87Å; V443-I489 HydrophobicContact CG2-CD1 3.73Å; I486-I489 HydrophobicContact CB-CD1 4.35Å; I486-I489 HydrophobicContact CB-CG1 4.33Å; I486-I489 HydrophobicContact CG2-CD1 4.18Å; I486-I489 HydrophobicContact CG2-CG1 3.72Å; A487-I489 PolarHBondContact O-N 2.98Å; I489-V516 HydrophobicContact CG2-CB 4.22Å; I489-V516 HydrophobicContact CG2-CG1 3.69Å; I489-V516 HydrophobicContact CG2-CG2 3.42Å; I489-V516 VanDerWaalsContact CG2-CG2 3.42Å
490	Q	88.9	Confident	87.8	Confident	57 Å²	57	34.9 Å²	34.9	27%	0.266	18%	0.182	S	C	.	.			trans	-122.5	165.4	177.4	-60.3	-56.4	-45.9	0	0	110.5	N488 E492 D493 V516	N488-Q490 PolarHBondContact O-N 2.99Å; N488-Q490 PolarHBondContact O-NE2 2.95Å; N488-Q490 PolarHBondContact OD1-NE2 2.94Å; N488-Q490 VanDerWaalsContact OD1-NE2 3.12Å; Q490-E492 HydrophobicContact CB-CG 3.71Å; Q490-E492 PolarHBondContact O-N 2.91Å; Q490-D493 PolarHBondContact N-OD2 3.01Å; Q490-D493 WeakPolarHBondContact O-CB 3.47Å; Q490-D493 PolarHBondContact O-N 2.78Å; Q490-V516 WeakPolarHBondContact O-CG2 3.28Å
491	I	82.8	Confident	88	Confident	72 Å²	72	30.1 Å²	30.1	37%	0.369	15%	0.148	S	C	.	.	G	3₁₀ helix	trans	-55.3	-37.7	179.5	-68.4	171.3	0	0	0	111.8	I439 D493 S494 V516 L521	I439-I491 HydrophobicContact CD1-CD1 3.99Å; I439-I491 HydrophobicContact CD1-CG1 3.92Å; I439-I491 HydrophobicContact CG1-CG1 4.29Å; I491-D493 PolarHBondContact O-N 2.87Å; I491-S494 WeakPolarHBondContact O-CB 3.38Å; I491-S494 PolarHBondContact O-N 2.83Å; I491-S494 PolarHBondContact O-OG 3.15Å; I491-V516 HydrophobicContact CG1-CG1 4.4Å; I491-L521 HydrophobicContact CG2-CD1 4.33Å; I491-L521 WeakPolarHBondContact O-CD1 3.41Å
492	E	80.7	Confident	88	Confident	153 Å²	153	32.5 Å²	32.5	72%	0.715	16%	0.159	S	C	*	.	G	3₁₀ helix	trans	-62.9	-20.6	177.5	50.3	-179.7	-173.1	0	0	114.9	Q490 S494	Q490-E492 HydrophobicContact CB-CG 3.71Å; Q490-E492 PolarHBondContact O-N 2.91Å; E492-S494 VanDerWaalsContact C-N 3.26Å
493	D	85.3	Confident	87.8	Confident	14 Å²	14	33.3 Å²	33.3	8%	0.075	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-82.4	-4.9	174.8	-57.2	-57.3	0	0	0	112.5	K475 Y476 Q490 I491 G495 Y497	K475-D493 WeakPolarHBondContact CE-OD1 3.39Å; K475-D493 WeakPolarHBondContact CE-OD2 3.36Å; K475-D493 IonicContact NZ-OD1 2.64Å; K475-D493 IonicContact NZ-OD2 2.57Å; K475-D493 PolarHBondContact NZ-OD2 2.85Å; Y476-D493 PolarHBondContact OH-OD1 3.36Å; Q490-D493 PolarHBondContact N-OD2 3.01Å; Q490-D493 WeakPolarHBondContact O-CB 3.47Å; Q490-D493 PolarHBondContact O-N 2.78Å; I491-D493 PolarHBondContact O-N 2.87Å; D493-G495 PolarHBondContact O-N 2.9Å; D493-Y497 VanDerWaalsContact O-CE2 3.28Å; D493-Y497 WeakPolarHBondContact O-CE2 3.43Å; D493-Y497 PolarHBondContact O-OH 3.34Å; D493-Y497 VanDerWaalsContact O-OH 3.08Å
494	S	85.6	Confident	87.4	Confident	2 Å²	2	38.6 Å²	38.6	1%	0.014	19%	0.189	C	C	.	.			trans	-61.8	137.5	176.1	-55.6	0	0	0	0	110.4	I491 E492 V516 T519	I491-S494 WeakPolarHBondContact O-CB 3.38Å; I491-S494 PolarHBondContact O-N 2.83Å; I491-S494 PolarHBondContact O-OG 3.15Å; E492-S494 VanDerWaalsContact C-N 3.26Å; S494-V516 VanDerWaalsContact OG-CB 3.27Å; S494-V516 WeakPolarHBondContact OG-CB 3.32Å; S494-V516 VanDerWaalsContact OG-CG2 3.31Å; S494-V516 WeakPolarHBondContact OG-CG2 3.34Å; S494-V516 PolarHBondContact OG-N 3.1Å; S494-T519 PolarHBondContact OG-O 3.09Å
495	G	81.8	Confident	87	Confident	1 Å²	1	42.8 Å²	42.8	1%	0.01	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	153.1	-163.3	177.9	0	0	0	0	0	113.4	D493 I514	D493-G495 PolarHBondContact O-N 2.9Å; G495-I514 PolarHBondContact N-O 2.95Å; G495-I514 PolarHBondContact O-N 3.16Å
496	R	80.4	Confident	86.3	Confident	105 Å²	105	41.3 Å²	41.3	40%	0.396	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	115	-177.8	-61.2	-177.3	82.8	-126.1	5.1	109.5	V511 T513	R496-V511 HydrophobicContact CB-CG1 3.77Å; R496-V511 HydrophobicContact CG-CG1 4.33Å; R496-T513 HydrophobicContact CG-CG2 4.43Å
497	Y	86.2	Confident	85.7	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	128.1	172.9	-72	-98.8	0	0	0	108.8	V460 T461 P462 Y476 L484 I486 D493 V511 A512 I514	V460-Y497 WeakPolarHBondContact O-CA 3.49Å; T461-Y497 HydrophobicContact CG2-CE1 4.25Å; P462-Y497 VanDerWaalsContact CD-CE1 3.49Å; P462-Y497 HydrophobicContact CG-CD2 3.89Å; P462-Y497 HydrophobicContact CG-CE1 4.35Å; P462-Y497 HydrophobicContact CG-CE2 3.52Å; P462-Y497 HydrophobicContact CG-CG 4.45Å; Y476-Y497 AromaticContact CE1-CE1 3.66Å; Y476-Y497 HydrophobicContact CE1-CE1 3.66Å; Y476-Y497 PolarHBondContact OH-OH 3.29Å; L484-Y497 HydrophobicContact CD2-CD1 3.85Å; L484-Y497 HydrophobicContact CD2-CE1 4.35Å; I486-Y497 HydrophobicContact CD1-CD1 4.09Å; I486-Y497 HydrophobicContact CD1-CE1 3.71Å; I486-Y497 HydrophobicContact CD1-CE2 4.25Å; D493-Y497 VanDerWaalsContact O-CE2 3.28Å; D493-Y497 WeakPolarHBondContact O-CE2 3.43Å; D493-Y497 PolarHBondContact O-OH 3.34Å; D493-Y497 VanDerWaalsContact O-OH 3.08Å; Y497-V511 CarbonylContact O-C 3.46Å; Y497-V511 WeakPolarHBondContact O-CA 3.22Å; Y497-A512 PolarHBondContact N-O 2.81Å; Y497-A512 PolarHBondContact O-N 2.95Å; Y497-I514 HydrophobicContact CD2-CB 4.26Å; Y497-I514 HydrophobicContact CD2-CD1 3.44Å; Y497-I514 VanDerWaalsContact CD2-CD1 3.44Å; Y497-I514 HydrophobicContact CD2-CG1 3.78Å; Y497-I514 HydrophobicContact CE2-CB 4.22Å; Y497-I514 HydrophobicContact CE2-CD1 3.5Å; Y497-I514 HydrophobicContact CE2-CG1 4.08Å; Y497-I514 HydrophobicContact CG-CD1 4.21Å
498	T	84.3	Confident	85.1	Confident	14 Å²	14	44.9 Å²	44.9	9%	0.086	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	118.4	-177.7	-54.4	0	0	0	0	109.5	W459 V460 V500 R510 V511	W459-T498 CarbonylContact C-O 3.54Å; W459-T498 WeakPolarHBondContact CA-O 3.48Å; W459-T498 VanDerWaalsContact CE3-C 3.44Å; V460-T498 PolarHBondContact N-O 2.96Å; V460-T498 PolarHBondContact O-N 2.76Å; T498-V500 HydrophobicContact CG2-CG2 4.09Å; T498-R510 CarbonylContact C-O 3.28Å; T498-R510 WeakPolarHBondContact CA-O 3.35Å; T498-V511 HydrophobicContact CG2-CG2 4.08Å
499	C	89.1	Confident	84.6	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	134.9	163.9	-179	0	0	0	0	109.1	I426 F431 C447 W459 T509 R510	I426-C499 HydrophobicContact CD1-CB 4.26Å; F431-C499 HydrophobicContact CE1-CB 3.91Å; F431-C499 HydrophobicContact CZ-CB 4.06Å; C447-C499 HydrophobicContact CB-CB 3.8Å; C447-C499 WeakPolarHBondContact CB-SG 3.45Å; C447-C499 WeakPolarHBondContact SG-CB 3.39Å; C447-C499 CovalentContact SG-SG 2.01Å; C447-C499 PolarHBondContact SG-SG 3.12Å; W459-C499 HydrophobicContact CD2-CB 3.91Å; W459-C499 HydrophobicContact CE3-CB 3.98Å; W459-C499 HydrophobicContact CH2-CB 3.78Å; W459-C499 HydrophobicContact CZ2-CB 3.7Å; W459-C499 HydrophobicContact CZ3-CB 3.91Å; C499-T509 VanDerWaalsContact O-CA 3.25Å; C499-T509 WeakPolarHBondContact O-CA 3.36Å; C499-R510 PolarHBondContact N-O 2.88Å; C499-R510 PolarHBondContact O-N 2.03Å
500	V	85.6	Confident	84.1	Confident	5 Å²	5	45.9 Å²	45.9	3%	0.03	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	126.4	173.4	-174.4	0	0	0	0	108.9	I457 Y458 V460 T498 A507 T509	I457-V500 WeakPolarHBondContact CA-O 3.22Å; Y458-V500 HydrophobicContact CD1-CB 4.32Å; Y458-V500 HydrophobicContact CD2-CB 4Å; Y458-V500 HydrophobicContact CD2-CG2 4.25Å; Y458-V500 HydrophobicContact CE1-CB 3.89Å; Y458-V500 HydrophobicContact CE1-CG1 3.75Å; Y458-V500 HydrophobicContact CE2-CB 3.56Å; Y458-V500 HydrophobicContact CE2-CG1 4.01Å; Y458-V500 HydrophobicContact CE2-CG2 3.67Å; Y458-V500 HydrophobicContact CG-CB 4.37Å; Y458-V500 VanDerWaalsContact CZ-CG1 3.42Å; Y458-V500 PolarHBondContact N-O 2.66Å; Y458-V500 PolarHBondContact O-N 2.79Å; Y458-V500 WeakPolarHBondContact OH-CG1 3.5Å; V460-V500 HydrophobicContact CG2-CG2 4.22Å; T498-V500 HydrophobicContact CG2-CG2 4.09Å; V500-A507 HydrophobicContact CG1-CB 4.25Å; V500-T509 HydrophobicContact CB-CG2 4.33Å; V500-T509 HydrophobicContact CG1-CG2 4.03Å; V500-T509 HydrophobicContact CG2-CG2 3.92Å
501	A	88.6	Confident	83.8	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	117.7	171.2	0	0	0	0	0	108.5	P424 I426 A449 P455 I457 A507 D508	P424-A501 HydrophobicContact CB-CB 4.05Å; I426-A501 HydrophobicContact CD1-CB 4.18Å; I426-A501 HydrophobicContact CG1-CB 3.8Å; A449-A501 HydrophobicContact CB-CB 3.42Å; A449-A501 VanDerWaalsContact CB-CB 3.42Å; P455-A501 HydrophobicContact CB-CB 4.19Å; P455-A501 HydrophobicContact CG-CB 4.45Å; I457-A501 HydrophobicContact CG1-CB 4.43Å; A501-A507 CarbonylContact O-C 3.48Å; A501-A507 WeakPolarHBondContact O-CA 3.41Å; A501-D508 PolarHBondContact N-O 2.94Å; A501-D508 PolarHBondContact O-N 3.31Å
502	Q	85.1	Confident	84	Confident	79 Å²	79	41.3 Å²	41.3	37%	0.369	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	134.1	-171.2	-179.3	174	5.6	0	0	111.8	P455 E456 Y458 G506 A507	P455-Q502 CarbonylContact C-O 3.51Å; P455-Q502 WeakPolarHBondContact CA-O 3.48Å; E456-Q502 PolarHBondContact N-O 2.79Å; E456-Q502 PolarHBondContact O-N 3.45Å; Y458-Q502 HydrophobicContact CE1-CB 4.31Å; Y458-Q502 PolarHBondContact OH-OE1 3.05Å; Q502-G506 WeakPolarHBondContact CA-O 3.49Å; Q502-A507 HydrophobicContact CB-CB 3.96Å; Q502-A507 HydrophobicContact CG-CB 4.09Å
503	N	85.7	Confident	84.3	Confident	19 Å²	19	34.7 Å²	34.7	10%	0.102	19%	0.186	C	C	.	.			trans	-131	-167.9	166.8	74.1	2.7	0	0	0	110.3	C422 P424 P453 P455 E505 G506	C422-N503 PolarHBondContact O-ND2 2.84Å; P424-N503 VanDerWaalsContact CD-OD1 3.29Å; P424-N503 WeakPolarHBondContact CD-OD1 3.34Å; P424-N503 HydrophobicContact CG-CB 4.04Å; P453-N503 PolarHBondContact O-ND2 3.16Å; P453-N503 VanDerWaalsContact O-ND2 3.16Å; P455-N503 HydrophobicContact CB-CB 4.48Å; N503-E505 VanDerWaalsContact C-N 3.28Å; N503-E505 PolarHBondContact O-N 3.13Å; N503-E505 WeakPolarHBondContact OD1-CB 3.48Å; N503-E505 PolarHBondContact OD1-N 3.12Å; N503-G506 PolarHBondContact N-O 3.36Å; N503-G506 PolarHBondContact O-N 3.22Å; N503-G506 PolarHBondContact OD1-N 2.83Å; N503-G506 VanDerWaalsContact OD1-N 3.14Å; N503-G506 PolarHBondContact OD1-O 2.85Å
504	I	83.8	Confident	84.5	Confident	122 Å²	122	34 Å²	34	63%	0.626	18%	0.182	S	C	*	.	S	Bend	trans	-68.1	-25.4	-179.2	59.1	173.1	0	0	0	113.7	P453	P453-I504 HydrophobicContact CG-CD1 3.91Å; P453-I504 HydrophobicContact CG-CG1 4.13Å
505	E	85.9	Confident	84.7	Confident	89 Å²	89	38.3 Å²	38.3	42%	0.416	20%	0.198	S	C	.	.	S	Bend	trans	-82	-29.2	180	-65	-55.5	111.8	0	0	111.7	Q421 L423 N503	Q421-E505 HydrophobicContact CB-CG 3.88Å; Q421-E505 PolarHBondContact OE1-OE1 3.38Å; L423-E505 VanDerWaalsContact CD2-C 3.48Å; L423-E505 HydrophobicContact CD2-CB 4.04Å; L423-E505 VanDerWaalsContact CD2-O 3.28Å; L423-E505 WeakPolarHBondContact CD2-O 3.47Å; L423-E505 HydrophobicContact CG-CB 4.46Å; N503-E505 VanDerWaalsContact C-N 3.28Å; N503-E505 PolarHBondContact O-N 3.13Å; N503-E505 WeakPolarHBondContact OD1-CB 3.48Å; N503-E505 PolarHBondContact OD1-N 3.12Å
506	G	80.5	Confident	85.1	Confident	23 Å²	23	38.3 Å²	38.3	24%	0.237	20%	0.198	C	C	.	.			trans	163.1	-155.5	178.5	0	0	0	0	0	113.2	Q502 N503	Q502-G506 WeakPolarHBondContact CA-O 3.49Å; N503-G506 PolarHBondContact N-O 3.36Å; N503-G506 PolarHBondContact O-N 3.22Å; N503-G506 PolarHBondContact OD1-N 2.83Å; N503-G506 VanDerWaalsContact OD1-N 3.14Å; N503-G506 PolarHBondContact OD1-O 2.85Å
507	A	80.8	Confident	85.3	Confident	46 Å²	46	38.1 Å²	38.1	38%	0.38	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	148.9	-179.9	0	0	0	0	0	111.8	V500 A501 Q502	V500-A507 HydrophobicContact CG1-CB 4.25Å; A501-A507 CarbonylContact O-C 3.48Å; A501-A507 WeakPolarHBondContact O-CA 3.41Å; Q502-A507 HydrophobicContact CB-CB 3.96Å; Q502-A507 HydrophobicContact CG-CB 4.09Å
508	D	81.4	Confident	84.8	Confident	49 Å²	49	41.1 Å²	41.1	26%	0.262	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	150.2	168.7	-173.7	26.6	0	0	0	109.9	P424 M425 I426 A501	P424-D508 HydrophobicContact CB-CB 4.46Å; P424-D508 WeakPolarHBondContact O-CB 3.5Å; M425-D508 WeakPolarHBondContact CA-OD2 3.41Å; I426-D508 WeakPolarHBondContact CD1-O 3.46Å; I426-D508 HydrophobicContact CG1-CB 4.42Å; I426-D508 PolarHBondContact N-OD2 2.74Å; A501-D508 PolarHBondContact N-O 2.94Å; A501-D508 PolarHBondContact O-N 3.31Å
509	T	82.8	Confident	84.3	Confident	77 Å²	77	43 Å²	43	47%	0.472	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	138.8	-174.5	67.5	0	0	0	0	111.9	C499 V500	C499-T509 VanDerWaalsContact O-CA 3.25Å; C499-T509 WeakPolarHBondContact O-CA 3.36Å; V500-T509 HydrophobicContact CB-CG2 4.33Å; V500-T509 HydrophobicContact CG1-CG2 4.03Å; V500-T509 HydrophobicContact CG2-CG2 3.92Å
510	R	81.1	Confident	83.4	Confident	36 Å²	36	45.6 Å²	45.6	14%	0.136	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	144.4	172.4	-73.2	-162.9	69.9	-155.3	3.6	111.2	I426 S427 H428 F431 N433 T498 C499	I426-R510 HydrophobicContact CB-CG 4.01Å; I426-R510 HydrophobicContact CD1-CB 4.17Å; I426-R510 HydrophobicContact CD1-CG 4.21Å; I426-R510 HydrophobicContact CG2-CB 4.24Å; I426-R510 HydrophobicContact CG2-CG 4.04Å; S427-R510 PolarHBondContact O-NH1 3.34Å; H428-R510 VanDerWaalsContact O-CZ 3.3Å; H428-R510 PolarHBondContact O-NH1 2.85Å; H428-R510 PolarHBondContact O-NH2 2.78Å; H428-R510 VanDerWaalsContact O-NH2 3.12Å; F431-R510 HydrophobicContact CE2-CB 4.15Å; F431-R510 HydrophobicContact CZ-CB 3.62Å; N433-R510 PolarHBondContact OD1-NH2 3.12Å; T498-R510 CarbonylContact C-O 3.28Å; T498-R510 WeakPolarHBondContact CA-O 3.35Å; C499-R510 PolarHBondContact N-O 2.88Å; C499-R510 PolarHBondContact O-N 2.03Å
511	V	82.4	Confident	82.3	Confident	34 Å²	34	49.4 Å²	49.4	21%	0.206	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	127.2	-172	-174.6	0	0	0	0	110.8	R496 Y497 T498	R496-V511 HydrophobicContact CB-CG1 3.77Å; R496-V511 HydrophobicContact CG-CG1 4.33Å; Y497-V511 CarbonylContact O-C 3.46Å; Y497-V511 WeakPolarHBondContact O-CA 3.22Å; T498-V511 HydrophobicContact CG2-CG2 4.08Å
512	A	86.9	Confident	80.6	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	124.5	167	0	0	0	0	0	109.3	F431 L445 Y497	F431-A512 HydrophobicContact CD2-CB 3.89Å; F431-A512 HydrophobicContact CE2-CB 3.93Å; L445-A512 HydrophobicContact CD1-CB 4.12Å; Y497-A512 PolarHBondContact N-O 2.81Å; Y497-A512 PolarHBondContact O-N 2.95Å
513	T	86.7	Confident	78.9	Confident	13 Å²	13	52.1 Å²	52.1	8%	0.08	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	112.5	175.3	-52.3	0	0	0	0	109.1	N433 H434 L435 R496 L520	N433-T513 PolarHBondContact O-N 2.83Å; H434-T513 WeakPolarHBondContact CA-O 3.3Å; L435-T513 PolarHBondContact N-O 2.83Å; R496-T513 HydrophobicContact CG-CG2 4.43Å; T513-L520 HydrophobicContact CG2-CD1 3.65Å; T513-L520 HydrophobicContact CG2-CD2 4.1Å
514	I	90.6	Very high	76.8	Confident	1 Å²	1	57 Å²	57	1%	0.005	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	125.3	178.7	-59.1	-174.8	0	0	0	109.4	L435 L437 L445 I486 G495 Y497 V516 L520	L435-I514 WeakPolarHBondContact O-CA 3.41Å; L437-I514 HydrophobicContact CD1-CG2 3.58Å; L437-I514 HydrophobicContact CG-CG2 4.35Å; L445-I514 HydrophobicContact CD1-CD1 4.07Å; I486-I514 HydrophobicContact CD1-CD1 3.65Å; G495-I514 PolarHBondContact N-O 2.95Å; G495-I514 PolarHBondContact O-N 3.16Å; Y497-I514 HydrophobicContact CD2-CB 4.26Å; Y497-I514 HydrophobicContact CD2-CD1 3.44Å; Y497-I514 VanDerWaalsContact CD2-CD1 3.44Å; Y497-I514 HydrophobicContact CD2-CG1 3.78Å; Y497-I514 HydrophobicContact CE2-CB 4.22Å; Y497-I514 HydrophobicContact CE2-CD1 3.5Å; Y497-I514 HydrophobicContact CE2-CG1 4.08Å; Y497-I514 HydrophobicContact CG-CD1 4.21Å; I514-V516 HydrophobicContact CG2-CG2 4.07Å; I514-L520 WeakPolarHBondContact O-CD1 3.48Å
515	R	89.1	Confident	75.1	Confident	92 Å²	92	56.1 Å²	56.1	35%	0.347	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	127.3	169.5	-61.3	-170.5	178	123.6	-3.1	109.6	L435 N436 L437 T519 L520	L435-R515 PolarHBondContact O-N 2.77Å; N436-R515 WeakPolarHBondContact CA-O 3.3Å; N436-R515 WeakPolarHBondContact OD1-CB 3.5Å; L437-R515 PolarHBondContact N-O 3.17Å; R515-T519 CarbonylContact C-O 3.59Å; R515-T519 VanDerWaalsContact CA-O 3.23Å; R515-T519 WeakPolarHBondContact CA-O 3.43Å; R515-T519 WeakPolarHBondContact CB-O 3.43Å; R515-L520 HydrophobicContact CG-CB 4.09Å; R515-L520 HydrophobicContact CG-CD1 4.16Å
516	V	90.3	Very high	73.7	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	123.3	178.8	-174.8	0	0	0	0	109.1	L437 I439 I489 Q490 I491 S494 I514 G518 T519	L437-V516 CarbonylContact O-C 3.47Å; L437-V516 WeakPolarHBondContact O-CA 3.22Å; I439-V516 HydrophobicContact CG1-CG1 3.81Å; I489-V516 HydrophobicContact CG2-CB 4.22Å; I489-V516 HydrophobicContact CG2-CG1 3.69Å; I489-V516 HydrophobicContact CG2-CG2 3.42Å; I489-V516 VanDerWaalsContact CG2-CG2 3.42Å; Q490-V516 WeakPolarHBondContact O-CG2 3.28Å; I491-V516 HydrophobicContact CG1-CG1 4.4Å; S494-V516 VanDerWaalsContact OG-CB 3.27Å; S494-V516 WeakPolarHBondContact OG-CB 3.32Å; S494-V516 VanDerWaalsContact OG-CG2 3.31Å; S494-V516 WeakPolarHBondContact OG-CG2 3.34Å; S494-V516 PolarHBondContact OG-N 3.1Å; I514-V516 HydrophobicContact CG2-CG2 4.07Å; V516-G518 PolarHBondContact O-N 3.33Å; V516-T519 PolarHBondContact N-O 3.39Å; V516-T519 WeakPolarHBondContact O-CB 3.3Å; V516-T519 PolarHBondContact O-N 3.06Å; V516-T519 PolarHBondContact O-OG1 3.18Å
517	N	85.3	Confident	72.7	Confident	101 Å²	101	53.6 Å²	53.6	54%	0.54	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.6	40.2	-175.4	-163.4	19.8	0	0	0	113	L437 I439 T519	L437-N517 PolarHBondContact O-N 3.46Å; I439-N517 HydrophobicContact CD1-CB 4.45Å; I439-N517 HydrophobicContact CG1-CB 4.46Å; N517-T519 PolarHBondContact O-N 3.19Å; N517-T519 VanDerWaalsContact O-N 3.17Å
518	G	75.6	Confident	71.7	Confident	64 Å²	64	55.3 Å²	55.3	66%	0.66	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	74	-3.5	-177.2	0	0	0	0	0	115.5	V516	V516-G518 PolarHBondContact O-N 3.33Å
519	T	72.9	Confident	71.3	Confident	53 Å²	53	53.3 Å²	53.3	33%	0.325	31%	0.308	S	S	.	.	B	Isolated β-bridge	trans	-88.2	136	177	66.4	0	0	0	0	111	S494 R515 V516 N517	S494-T519 PolarHBondContact OG-O 3.09Å; R515-T519 CarbonylContact C-O 3.59Å; R515-T519 VanDerWaalsContact CA-O 3.23Å; R515-T519 WeakPolarHBondContact CA-O 3.43Å; R515-T519 WeakPolarHBondContact CB-O 3.43Å; V516-T519 PolarHBondContact N-O 3.39Å; V516-T519 WeakPolarHBondContact O-CB 3.3Å; V516-T519 PolarHBondContact O-N 3.06Å; V516-T519 PolarHBondContact O-OG1 3.18Å; N517-T519 PolarHBondContact O-N 3.19Å; N517-T519 VanDerWaalsContact O-N 3.17Å
520	L	70	Confident	71.1	Confident	55 Å²	55	54.3 Å²	54.3	29%	0.288	30%	0.304	S	S	.	.			trans	-115.8	107.9	167.1	-176.5	63.9	0	0	0	106.8	T513 I514 R515 D522	T513-L520 HydrophobicContact CG2-CD1 3.65Å; T513-L520 HydrophobicContact CG2-CD2 4.1Å; I514-L520 WeakPolarHBondContact O-CD1 3.48Å; R515-L520 HydrophobicContact CG-CB 4.09Å; R515-L520 HydrophobicContact CG-CD1 4.16Å; L520-D522 PolarHBondContact O-N 3.27Å
521	L	63.8	Low	71	Confident	84 Å²	84	55.1 Å²	55.1	44%	0.44	31%	0.312	S	S	.	.			trans	-76.4	77.1	164.4	-62.1	176	0	0	0	106.8	I491 G523	I491-L521 HydrophobicContact CG2-CD1 4.33Å; I491-L521 WeakPolarHBondContact O-CD1 3.41Å; L521-G523 PolarHBondContact O-N 3.24Å; L521-G523 VanDerWaalsContact O-N 3.13Å
522	D	51.8	Low	70.9	Confident	84 Å²	84	58.8 Å²	58.8	45%	0.449	33%	0.325	S	S	.	.			trans	-58.4	121.9	159	-102	-15.3	0	0	0	105	L520 T524	L520-D522 PolarHBondContact O-N 3.27Å; D522-T524 HydrophobicContact CB-CG2 3.94Å; D522-T524 PolarHBondContact O-N 3.24Å; D522-T524 PolarHBondContact O-OG1 3.29Å
523	G	49.4	Very low	70.6	Confident	53 Å²	53	63.5 Å²	63.5	55%	0.546	35%	0.347	S	S	.	.			trans	-59.1	77.2	168.3	0	0	0	0	0	108.6	L521 Q525	L521-G523 PolarHBondContact O-N 3.24Å; L521-G523 VanDerWaalsContact O-N 3.13Å; G523-Q525 PolarHBondContact O-N 3.38Å
524	T	41.8	Very low	70.5	Confident	120 Å²	120	63.7 Å²	63.7	74%	0.736	35%	0.351	S	S	*	.	S	Bend	trans	-78.9	62.6	-175.4	38.7	0	0	0	0	108.4	D522	D522-T524 HydrophobicContact CB-CG2 3.94Å; D522-T524 PolarHBondContact O-N 3.24Å; D522-T524 PolarHBondContact O-OG1 3.29Å
525	Q	47.5	Very low	70.1	Confident	105 Å²	105	67.7 Å²	67.7	49%	0.491	37%	0.369	S	S	.	.			trans	-180	89.1	149.8	-99.5	155.9	14.7	0	0	107.3	G523 L527	G523-Q525 PolarHBondContact O-N 3.38Å; Q525-L527 PolarHBondContact O-N 3.21Å
526	V	58.2	Low	69.6	Low	49 Å²	49	65.1 Å²	65.1	30%	0.297	37%	0.365	S	S	.	.	S	Bend	trans	-71.1	-15.8	177	-170.7	0	0	0	0	111.4	N546 Q606	V526-N546 PolarHBondContact O-N 2.83Å; V526-Q606 VanDerWaalsContact CG1-NE2 3.34Å
527	L	58.2	Low	69.1	Low	9 Å²	9	69.6 Å²	69.6	5%	0.047	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	122.7	172.4	-176.5	69.2	0	0	0	108.4	Q525 W543 V545 L596 V598 S608	Q525-L527 PolarHBondContact O-N 3.21Å; L527-W543 HydrophobicContact CD1-CB 4.45Å; L527-V545 HydrophobicContact CD1-CG2 3.74Å; L527-L596 HydrophobicContact CD1-CD2 3.79Å; L527-L596 HydrophobicContact CD2-CB 4.25Å; L527-L596 HydrophobicContact CD2-CD2 4.04Å; L527-L596 HydrophobicContact CD2-CG 4.04Å; L527-L596 WeakPolarHBondContact CD2-O 3.36Å; L527-L596 HydrophobicContact CG-CD2 4.21Å; L527-V598 HydrophobicContact CD1-CG2 4.06Å; L527-V598 HydrophobicContact CD2-CB 4.45Å; L527-V598 HydrophobicContact CD2-CG2 3.82Å; L527-S608 WeakPolarHBondContact O-CB 3.34Å; L527-S608 PolarHBondContact O-OG 3.33Å
528	K	61.2	Low	68.8	Low	82 Å²	82	65.5 Å²	65.5	36%	0.357	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	118.8	171.1	-163	171.9	-166.4	160.8	0	110.5	Y530 W543 K544	K528-Y530 HydrophobicContact CB-CE2 4.1Å; K528-Y530 HydrophobicContact CD-CE1 3.78Å; K528-Y530 WeakPolarHBondContact CD-OH 3.07Å; K528-Y530 HydrophobicContact CG-CE1 4.03Å; K528-Y530 HydrophobicContact CG-CE2 4.18Å; K528-Y530 WeakPolarHBondContact O-CD2 3.1Å; K528-Y530 VanDerWaalsContact O-CE2 3.31Å; K528-Y530 WeakPolarHBondContact O-CE2 3.11Å; K528-W543 VanDerWaalsContact O-CA 3.29Å; K528-W543 WeakPolarHBondContact O-CA 3.07Å; K528-K544 PolarHBondContact N-O 2.9Å; K528-K544 PolarHBondContact O-N 3.15Å; K528-K544 VanDerWaalsContact O-N 3.17Å
529	I	72.9	Confident	68.9	Low	8 Å²	8	62.4 Å²	62.4	4%	0.041	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	139.9	173.9	-168.2	172.4	0	0	0	110.2	V541 S542 W543 M561 V594 L596 S608 V610	I529-V541 HydrophobicContact CD1-CB 3.9Å; I529-V541 HydrophobicContact CD1-CG1 4.2Å; I529-V541 HydrophobicContact CD1-CG2 4.05Å; I529-V541 HydrophobicContact CG1-CB 4.04Å; I529-V541 HydrophobicContact CG1-CG1 4.5Å; I529-S542 CarbonylContact C-O 3.4Å; I529-S542 WeakPolarHBondContact CA-O 3.49Å; I529-W543 HydrophobicContact CB-CB 4.47Å; I529-M561 HydrophobicContact CD1-SD 3.96Å; I529-V594 HydrophobicContact CD1-CG1 4Å; I529-L596 HydrophobicContact CD1-CB 4.16Å; I529-S608 PolarHBondContact N-OG 3.25Å; I529-V610 HydrophobicContact CD1-CG1 4.37Å; I529-V610 HydrophobicContact CG1-CG1 4.33Å; I529-V610 HydrophobicContact CG2-CB 3.92Å; I529-V610 HydrophobicContact CG2-CG1 3.79Å
530	Y	77.9	Confident	69.3	Low	98 Å²	98	61.8 Å²	61.8	38%	0.384	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	143.8	178.9	-51.4	-90.7	0	0	0	109.4	K528 V541 S542 K544	K528-Y530 HydrophobicContact CB-CE2 4.1Å; K528-Y530 HydrophobicContact CD-CE1 3.78Å; K528-Y530 WeakPolarHBondContact CD-OH 3.07Å; K528-Y530 HydrophobicContact CG-CE1 4.03Å; K528-Y530 HydrophobicContact CG-CE2 4.18Å; K528-Y530 WeakPolarHBondContact O-CD2 3.1Å; K528-Y530 VanDerWaalsContact O-CE2 3.31Å; K528-Y530 WeakPolarHBondContact O-CE2 3.11Å; Y530-V541 CarbonylContact O-C 3.45Å; Y530-V541 WeakPolarHBondContact O-CA 3.45Å; Y530-S542 PolarHBondContact N-O 3.08Å; Y530-S542 PolarHBondContact O-N 3.26Å; Y530-K544 HydrophobicContact CE2-CG 4.38Å
531	V	79	Confident	69.7	Low	52 Å²	52	59.2 Å²	59.2	32%	0.315	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	119.6	170	-179.7	0	0	0	0	108	A534 I539 V541 V610 V612	V531-A534 HydrophobicContact CG1-CB 4.48Å; V531-I539 HydrophobicContact CG1-CG2 4.2Å; V531-V541 HydrophobicContact CG2-CG1 4.46Å; V531-V610 HydrophobicContact CG2-CB 4.5Å; V531-V610 HydrophobicContact CG2-CG1 3.86Å; V531-V610 HydrophobicContact CG2-CG2 3.78Å; V531-V612 HydrophobicContact CG1-CG2 3.93Å; V531-V612 HydrophobicContact CG2-CB 3.88Å; V531-V612 HydrophobicContact CG2-CG1 4.35Å; V531-V612 HydrophobicContact CG2-CG2 4.03Å
532	K	79.9	Confident	70.5	Confident	112 Å²	112	56 Å²	56	49%	0.487	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	-42.2	173.4	-80.2	-166.8	170.6	-168.7	0	111.7	L540 E580	K532-L540 HydrophobicContact CB-CB 4.44Å; K532-L540 HydrophobicContact CB-CD2 3.97Å; K532-L540 HydrophobicContact CB-CG 4.13Å; K532-L540 HydrophobicContact CD-CD2 4.16Å; K532-L540 PolarHBondContact N-O 3.29Å; K532-E580 IonicContact NZ-OE1 2.82Å; K532-E580 PolarHBondContact NZ-OE1 2.85Å; K532-E580 IonicContact NZ-OE2 2.72Å; K532-E580 PolarHBondContact NZ-OE2 3.19Å
533	Q	81.1	Confident	71.5	Confident	98 Å²	98	52.7 Å²	52.7	46%	0.458	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	139.6	-175.8	-175.2	167.5	-6.8	0	0	110.4	E535 I539 L540	Q533-E535 HydrophobicContact CG-CG 4.16Å; Q533-E535 PolarHBondContact NE2-OE1 3.23Å; Q533-I539 WeakPolarHBondContact O-CA 3.42Å; Q533-L540 HydrophobicContact CB-CB 4.15Å; Q533-L540 PolarHBondContact N-O 2.81Å; Q533-L540 PolarHBondContact O-N 2.8Å
534	A	83.1	Confident	72.2	Confident	18 Å²	18	57 Å²	57	15%	0.149	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	125.2	172.2	0	0	0	0	0	109.2	V531 I539 V612 K615	V531-A534 HydrophobicContact CG1-CB 4.48Å; A534-I539 HydrophobicContact CB-CG1 4.46Å; A534-V612 HydrophobicContact CB-CG2 3.92Å; A534-K615 VanDerWaalsContact O-CD 3.29Å; A534-K615 WeakPolarHBondContact O-CD 3.34Å; A534-K615 WeakPolarHBondContact O-CE 3.38Å; A534-K615 PolarHBondContact O-NZ 3Å
535	E	84.1	Confident	73.1	Confident	85 Å²	85	53.6 Å²	53.6	40%	0.397	26%	0.263	S	S	.	.			trans	-115	-172.7	178.7	-55.4	-172.6	158.8	0	0	110.4	Q533 H537 S538 T614 K615	Q533-E535 HydrophobicContact CG-CG 4.16Å; Q533-E535 PolarHBondContact NE2-OE1 3.23Å; E535-H537 VanDerWaalsContact C-N 3.33Å; E535-S538 WeakPolarHBondContact CB-OG 3.37Å; E535-S538 PolarHBondContact N-O 3.31Å; E535-S538 PolarHBondContact OE2-OG 2.78Å; E535-T614 WeakPolarHBondContact O-CB 2.96Å; E535-K615 PolarHBondContact O-N 3.11Å
536	S	78.4	Confident	73.3	Confident	38 Å²	38	52 Å²	52	27%	0.266	26%	0.258	S	S	.	.	S	Bend	trans	-71	-27.5	-178.9	55.9	0	0	0	0	113.6	P588 K615	S536-P588 WeakPolarHBondContact O-CA 3.34Å; S536-P588 WeakPolarHBondContact O-CG 3.24Å; S536-K615 WeakPolarHBondContact CA-O 3.39Å
537	H	78	Confident	72.9	Confident	93 Å²	93	52.2 Å²	52.2	43%	0.431	26%	0.262	S	S	.	.	S	Bend	trans	-135.9	7.5	-178.5	-59.9	83.6	0	0	0	113.5	E535 H585 L586 P588	E535-H537 VanDerWaalsContact C-N 3.33Å; H537-H585 PolarHBondContact O-N 2.03Å; H537-H585 VanDerWaalsContact O-N 3.16Å; H537-L586 WeakPolarHBondContact CA-O 3.44Å; H537-L586 PolarHBondContact CD2-O 2.79Å; H537-L586 VanDerWaalsContact CD2-O 3.27Å; H537-L586 PolarHBondContact O-N 3.36Å; H537-L586 VanDerWaalsContact O-N 3.1Å; H537-P588 WeakPolarHBondContact NE2-CG 3.49Å
538	S	79.8	Confident	72.3	Confident	15 Å²	15	54 Å²	54	11%	0.105	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	150.9	-177.3	80.1	0	0	0	0	112.5	E535 L583	E535-S538 WeakPolarHBondContact CB-OG 3.37Å; E535-S538 PolarHBondContact N-O 3.31Å; E535-S538 PolarHBondContact OE2-OG 2.78Å; S538-L583 CarbonylContact C-O 3.34Å; S538-L583 WeakPolarHBondContact CA-O 3.41Å; S538-L583 WeakPolarHBondContact CB-O 3.41Å
539	I	78.8	Confident	71.6	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	120.1	173.5	-60.7	173.3	0	0	0	108.6	V531 Q533 A534 V541 L583 L586 Y592 V612 T614	V531-I539 HydrophobicContact CG1-CG2 4.2Å; Q533-I539 WeakPolarHBondContact O-CA 3.42Å; A534-I539 HydrophobicContact CB-CG1 4.46Å; I539-V541 HydrophobicContact CG2-CG1 3.97Å; I539-L583 HydrophobicContact CB-CB 4.36Å; I539-L583 HydrophobicContact CB-CD1 4.36Å; I539-L583 PolarHBondContact N-O 3.31Å; I539-L583 WeakPolarHBondContact O-CB 3.36Å; I539-L583 PolarHBondContact O-N 2.97Å; I539-L586 HydrophobicContact CB-CD1 4.01Å; I539-L586 HydrophobicContact CD1-CD1 3.46Å; I539-L586 VanDerWaalsContact CD1-CD1 3.46Å; I539-L586 HydrophobicContact CG1-CD1 3.52Å; I539-Y592 HydrophobicContact CD1-CD2 4.17Å; I539-V612 HydrophobicContact CD1-CB 4.29Å; I539-V612 HydrophobicContact CD1-CG1 3.56Å; I539-V612 HydrophobicContact CD1-CG2 3.84Å; I539-V612 HydrophobicContact CG1-CG2 4.3Å; I539-V612 HydrophobicContact CG2-CG1 4.15Å; I539-V612 HydrophobicContact CG2-CG2 4.05Å; I539-T614 HydrophobicContact CD1-CG2 3.84Å; I539-T614 HydrophobicContact CG1-CG2 4Å
540	L	79.4	Confident	70.1	Confident	40 Å²	40	56.5 Å²	56.5	21%	0.209	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	118.2	173.2	-175.6	68.2	0	0	0	109.8	K532 Q533 N582	K532-L540 HydrophobicContact CB-CB 4.44Å; K532-L540 HydrophobicContact CB-CD2 3.97Å; K532-L540 HydrophobicContact CB-CG 4.13Å; K532-L540 HydrophobicContact CD-CD2 4.16Å; K532-L540 PolarHBondContact N-O 3.29Å; Q533-L540 HydrophobicContact CB-CB 4.15Å; Q533-L540 PolarHBondContact N-O 2.81Å; Q533-L540 PolarHBondContact O-N 2.8Å; L540-N582 HydrophobicContact CD1-CB 3.97Å
541	V	80	Confident	68.1	Low	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	150.2	175.6	-65.9	0	0	0	0	111	I529 Y530 V531 I539 W543 M561 E580 Y581 L583 V594	I529-V541 HydrophobicContact CD1-CB 3.9Å; I529-V541 HydrophobicContact CD1-CG1 4.2Å; I529-V541 HydrophobicContact CD1-CG2 4.05Å; I529-V541 HydrophobicContact CG1-CB 4.04Å; I529-V541 HydrophobicContact CG1-CG1 4.5Å; Y530-V541 CarbonylContact O-C 3.45Å; Y530-V541 WeakPolarHBondContact O-CA 3.45Å; V531-V541 HydrophobicContact CG2-CG1 4.46Å; I539-V541 HydrophobicContact CG2-CG1 3.97Å; V541-W543 HydrophobicContact CG2-CZ3 4.33Å; V541-M561 HydrophobicContact CG2-CE 3.54Å; V541-M561 HydrophobicContact CG2-SD 4.2Å; V541-E580 CarbonylContact O-C 3.49Å; V541-E580 VanDerWaalsContact O-CA 3.26Å; V541-E580 WeakPolarHBondContact O-CA 3.36Å; V541-Y581 WeakPolarHBondContact CG2-O 3.4Å; V541-Y581 PolarHBondContact N-O 3.22Å; V541-Y581 PolarHBondContact O-N 3.27Å; V541-L583 HydrophobicContact CG1-CD1 4.47Å; V541-V594 HydrophobicContact CG1-CG1 4.27Å
542	S	79.1	Confident	65.8	Low	17 Å²	17	57.9 Å²	57.9	12%	0.119	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	153.2	174.1	66.5	0	0	0	0	110.4	I529 Y530 H579	I529-S542 CarbonylContact C-O 3.4Å; I529-S542 WeakPolarHBondContact CA-O 3.49Å; Y530-S542 PolarHBondContact N-O 3.08Å; Y530-S542 PolarHBondContact O-N 3.26Å; S542-H579 CarbonylContact C-O 3.56Å; S542-H579 WeakPolarHBondContact CA-O 3.32Å; S542-H579 WeakPolarHBondContact CB-O 3.18Å
543	W	73.3	Confident	63.6	Low	14 Å²	14	60.7 Å²	60.7	5%	0.053	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	154.1	178.8	55.8	93.3	0	0	0	112.2	L527 K528 I529 V541 M561 V574 V578 H579 L596	L527-W543 HydrophobicContact CD1-CB 4.45Å; K528-W543 VanDerWaalsContact O-CA 3.29Å; K528-W543 WeakPolarHBondContact O-CA 3.07Å; I529-W543 HydrophobicContact CB-CB 4.47Å; V541-W543 HydrophobicContact CG2-CZ3 4.33Å; W543-M561 HydrophobicContact CZ3-CE 4.09Å; W543-V574 HydrophobicContact CH2-CG1 3.88Å; W543-V574 HydrophobicContact CZ2-CG1 4.03Å; W543-V578 HydrophobicContact CH2-CG1 4.21Å; W543-V578 WeakPolarHBondContact CZ2-O 3.28Å; W543-H579 PolarHBondContact N-O 2.78Å; W543-L596 HydrophobicContact CB-CD2 3.83Å; W543-L596 HydrophobicContact CD2-CD2 3.5Å; W543-L596 HydrophobicContact CE3-CD2 4.01Å; W543-L596 HydrophobicContact CG-CD2 3.41Å; W543-L596 VanDerWaalsContact CG-CD2 3.41Å
544	K	64.3	Low	61.4	Low	143 Å²	143	59 Å²	59	62%	0.622	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.9	133.8	169.8	-65.5	-173.9	177.7	-175.9	0	108.6	K528 Y530	K528-K544 PolarHBondContact N-O 2.9Å; K528-K544 PolarHBondContact O-N 3.15Å; K528-K544 VanDerWaalsContact O-N 3.17Å; Y530-K544 HydrophobicContact CE2-CG 4.38Å
545	V	60.3	Low	59	Low	50 Å²	50	67.1 Å²	67.1	30%	0.303	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	121.1	177.3	-170.4	0	0	0	0	107.6	L527 S547	L527-V545 HydrophobicContact CD1-CG2 3.74Å; V545-S547 PolarHBondContact O-N 3.33Å
546	N	52.8	Low	56.6	Low	71 Å²	71	74 Å²	74	38%	0.38	38%	0.381	S	S	.	.			trans	-85.3	105	174.2	-79.4	6.9	0	0	0	108.3	V526 N548	V526-N546 PolarHBondContact O-N 2.83Å; N546-N548 VanDerWaalsContact C-N 3.34Å; N546-N548 PolarHBondContact O-N 3.12Å
547	S	49.9	Very low	54.7	Low	53 Å²	53	72.9 Å²	72.9	37%	0.371	37%	0.372	S	S	.	.			trans	-79.3	68.7	-170.4	52.2	0	0	0	0	113.2	V545 V549	V545-S547 PolarHBondContact O-N 3.33Å; S547-V549 VanDerWaalsContact C-N 3.26Å
548	N	45.5	Very low	53	Low	48 Å²	48	70.9 Å²	70.9	26%	0.257	37%	0.369	S	S	.	.	S	Bend	trans	-89.7	9.6	162.3	-75.4	-11.5	0	0	0	112.7	T461 P462 N546	T461-N548 PolarHBondContact O-OD1 3.15Å; P462-N548 PolarHBondContact O-ND2 3.34Å; N546-N548 VanDerWaalsContact C-N 3.34Å; N546-N548 PolarHBondContact O-N 3.12Å
549	V	46.2	Very low	51.4	Low	75 Å²	75	70.5 Å²	70.5	46%	0.455	37%	0.367	S	S	.	.	S	Bend	trans	-135.2	6.5	-177.4	-171	0	0	0	0	112.7	S547 N600	S547-V549 VanDerWaalsContact C-N 3.26Å; V549-N600 HydrophobicContact CG1-CB 4.43Å; V549-N600 WeakPolarHBondContact CG1-ND2 3Å
550	M	42.2	Very low	49.8	Very low	66 Å²	66	72.5 Å²	72.5	33%	0.325	38%	0.379	S	S	.	.			trans	-131.4	100.4	-178.8	-75.7	-166	-176.6	0	0	111.1
551	T	35.6	Very low	48.5	Very low	100 Å²	100	70.6 Å²	70.6	61%	0.613	37%	0.369	S	S	*	.			trans	-160.1	96.4	136	46.8	0	0	0	0	111
552	S	29.2	Very low	47.2	Very low	79 Å²	79	74.3 Å²	74.3	55%	0.552	39%	0.385	S	S	*	.	S	Bend	trans	-162.3	96.1	136.5	53.6	0	0	0	0	108.1	L554	S552-L554 WeakPolarHBondContact O-CD1 3.33Å; S552-L554 PolarHBondContact O-N 3.26Å
553	N	35.2	Very low	46.2	Very low	172 Å²	172	74 Å²	74	92%	0.92	38%	0.382	S	S	*	.			trans	38.9	52.1	166.9	-74.6	-24.3	0	0	0	117.9	K555	N553-K555 PolarHBondContact O-N 3.07Å
554	L	33.6	Very low	45.2	Very low	61 Å²	61	76 Å²	76	32%	0.319	39%	0.394	S	S	.	.			trans	-83.7	104.4	172.9	-97.3	97.5	0	0	0	112.3	S552 W556 I601	S552-L554 WeakPolarHBondContact O-CD1 3.33Å; S552-L554 PolarHBondContact O-N 3.26Å; L554-W556 VanDerWaalsContact C-N 3.29Å; L554-I601 HydrophobicContact CD1-CD1 3.29Å; L554-I601 HydrophobicContact CD1-CG1 3.9Å; L554-I601 HydrophobicContact CD2-CD1 4Å; L554-I601 HydrophobicContact CD2-CG1 3.56Å; L554-I601 HydrophobicContact CG-CD1 4.06Å; L554-I601 HydrophobicContact CG-CG1 4.18Å
555	K	33.5	Very low	44.7	Very low	189 Å²	189	70 Å²	70	82%	0.822	37%	0.369	S	S	*	.			trans	-81.7	5.7	167.9	-81.5	-172.3	174.3	-179.5	0	114.8	N553	N553-K555 PolarHBondContact O-N 3.07Å
556	W	34.4	Very low	44.3	Very low	231 Å²	231	73.6 Å²	73.6	88%	0.875	39%	0.393	S	S	*	.			trans	-147.1	86.9	-174.5	-52.2	82.1	0	0	0	112.1	L554	L554-W556 VanDerWaalsContact C-N 3.29Å
557	S	37.4	Very low	44.1	Very low	13 Å²	13	77.8 Å²	77.8	9%	0.091	41%	0.41	C	S	.	.			trans	-124.2	115.4	152.7	62.6	0	0	0	0	108.3	A559 V576	S557-A559 PolarHBondContact O-N 3.01Å; S557-V576 VanDerWaalsContact N-CG2 3.31Å; S557-V576 WeakPolarHBondContact O-CG2 3.36Å; S557-V576 WeakPolarHBondContact OG-CG1 3.38Å; S557-V576 VanDerWaalsContact OG-CG2 3.24Å; S557-V576 WeakPolarHBondContact OG-CG2 3.31Å
558	S	42.2	Very low	44.3	Very low	51 Å²	51	79.6 Å²	79.6	36%	0.357	42%	0.415	S	S	.	.			trans	-86.3	108.6	177.1	59.9	0	0	0	0	108.3	T560	S558-T560 PolarHBondContact O-N 2.8Å
559	A	45.9	Very low	44.8	Very low	7 Å²	7	81.2 Å²	81.2	6%	0.058	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	126.5	171	0	0	0	0	0	108.4	S557 R573 V574 L596 T597 V598	S557-A559 PolarHBondContact O-N 3.01Å; A559-R573 CarbonylContact O-C 3.55Å; A559-R573 WeakPolarHBondContact O-CA 3.44Å; A559-V574 HydrophobicContact CB-CB 4.36Å; A559-V574 PolarHBondContact N-O 2.89Å; A559-V574 PolarHBondContact O-N 2.94Å; A559-L596 HydrophobicContact CB-CD1 3.75Å; A559-T597 CarbonylContact C-O 3.53Å; A559-T597 VanDerWaalsContact CA-O 3.31Å; A559-T597 WeakPolarHBondContact CA-O 3.5Å; A559-V598 HydrophobicContact CB-CG2 4.12Å
560	T	46.9	Very low	45.4	Very low	42 Å²	42	83.9 Å²	83.9	26%	0.258	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	120.9	179.3	-46.6	0	0	0	0	109.1	S558 A572 T597	S558-T560 PolarHBondContact O-N 2.8Å; T560-A572 CarbonylContact C-O 3.55Å; T560-A572 WeakPolarHBondContact CA-O 3.47Å; T560-T597 WeakPolarHBondContact CB-OG1 3.37Å; T560-T597 PolarHBondContact N-O 3.38Å; T560-T597 PolarHBondContact O-N 3.15Å; T560-T597 PolarHBondContact O-OG1 3.2Å; T560-T597 VanDerWaalsContact O-OG1 3.09Å
561	M	50.6	Low	46.3	Very low	1 Å²	1	84.9 Å²	84.9	1%	0.005	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	113.2	177.3	-165.5	96.8	72.4	0	0	108.7	I529 V541 W543 T571 A572 V574 Y581 L583 V594 C595 L596	I529-M561 HydrophobicContact CD1-SD 3.96Å; V541-M561 HydrophobicContact CG2-CE 3.54Å; V541-M561 HydrophobicContact CG2-SD 4.2Å; W543-M561 HydrophobicContact CZ3-CE 4.09Å; M561-T571 CarbonylContact O-C 3.28Å; M561-T571 WeakPolarHBondContact O-CA 3.4Å; M561-A572 PolarHBondContact N-O 3.45Å; M561-A572 PolarHBondContact O-N 2.86Å; M561-V574 HydrophobicContact CE-CG2 4.4Å; M561-Y581 HydrophobicContact CE-CD1 3.81Å; M561-Y581 HydrophobicContact CE-CG 4.02Å; M561-L583 HydrophobicContact CG-CD2 4.29Å; M561-V594 HydrophobicContact CG-CG1 3.92Å; M561-V594 HydrophobicContact SD-CG1 3.55Å; M561-V594 VanDerWaalsContact SD-CG1 3.55Å; M561-C595 CarbonylContact C-O 3.58Å; M561-C595 VanDerWaalsContact CA-O 3.24Å; M561-C595 WeakPolarHBondContact CA-O 3.48Å; M561-L596 HydrophobicContact CE-CD1 4.43Å; M561-L596 HydrophobicContact SD-CB 4.35Å; M561-L596 HydrophobicContact SD-CD1 4.09Å
562	K	54.1	Low	47.4	Very low	77 Å²	77	80.4 Å²	80.4	34%	0.335	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	129.5	173.9	-169.5	-171	-177	-154.2	0	109.6	D564 T569 Y570 T571 C595	K562-D564 IonicContact NZ-OD2 3.3Å; K562-D564 PolarHBondContact NZ-OD2 2.73Å; K562-T569 HydrophobicContact CD-CG2 4.4Å; K562-T569 HydrophobicContact CG-CG2 4.16Å; K562-Y570 CarbonylContact C-O 3.21Å; K562-Y570 WeakPolarHBondContact CA-O 3.32Å; K562-T571 HydrophobicContact CB-CG2 4.33Å; K562-T571 HydrophobicContact CG-CG2 4.15Å; K562-C595 HydrophobicContact CB-CB 4.42Å; K562-C595 PolarHBondContact N-O 3.14Å; K562-C595 PolarHBondContact O-N 2.94Å
563	I	56.5	Low	48.7	Very low	10 Å²	10	86.2 Å²	86.2	5%	0.051	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	126.1	168	-58.5	168.1	0	0	0	107.2	T569 Y570 L583 L586 Y592 E593	I563-T569 VanDerWaalsContact O-CA 3.26Å; I563-T569 WeakPolarHBondContact O-CA 3.45Å; I563-T569 WeakPolarHBondContact O-CG2 3.41Å; I563-Y570 HydrophobicContact CD1-CD1 4.28Å; I563-Y570 PolarHBondContact N-O 2.76Å; I563-Y570 PolarHBondContact O-N 2.65Å; I563-Y570 VanDerWaalsContact O-N 3.16Å; I563-L583 HydrophobicContact CD1-CD1 4.22Å; I563-L583 HydrophobicContact CD1-CD2 3.77Å; I563-L583 HydrophobicContact CD1-CG 4.42Å; I563-L583 HydrophobicContact CG1-CD1 4.48Å; I563-L583 HydrophobicContact CG1-CD2 4.41Å; I563-L586 HydrophobicContact CD1-CD2 4.16Å; I563-Y592 HydrophobicContact CG2-CD1 3.39Å; I563-Y592 HydrophobicContact CG2-CE1 4.12Å; I563-Y592 HydrophobicContact CG2-CG 4.14Å; I563-E593 WeakPolarHBondContact CA-O 3.44Å
564	D	53.9	Low	50	Low	57 Å²	57	78.1 Å²	78.1	31%	0.305	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	131.9	173.4	-132.2	-12.8	0	0	0	111.4	K562 T569 E593	K562-D564 IonicContact NZ-OD2 3.3Å; K562-D564 PolarHBondContact NZ-OD2 2.73Å; D564-T569 PolarHBondContact OD1-OG1 2.82Å; D564-E593 PolarHBondContact N-O 2.91Å; D564-E593 PolarHBondContact O-N 3.26Å
565	N	52.5	Low	50.9	Low	17 Å²	17	79.2 Å²	79.2	9%	0.091	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	145.8	173.8	174.9	-44	0	0	0	107.1	H567 I568 T590 D591 Y592	N565-H567 PolarHBondContact O-N 3.15Å; N565-H567 PolarHBondContact OD1-N 3.18Å; N565-H567 VanDerWaalsContact OD1-N 3.13Å; N565-I568 PolarHBondContact N-O 3.13Å; N565-I568 PolarHBondContact O-N 3.03Å; N565-T590 WeakPolarHBondContact ND2-CG2 3.49Å; N565-D591 PolarHBondContact ND2-O 3.45Å; N565-Y592 HydrophobicContact CB-CD1 3.97Å; N565-Y592 HydrophobicContact CB-CE1 4.03Å
566	P	52	Low	51.9	Low	126 Å²	126	72.3 Å²	72.3	82%	0.818	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.7	-14.7	177.3	13.5	-29.2	0	0	0	117.1
567	H	48.6	Very low	52.7	Low	158 Å²	158	68.1 Å²	68.1	73%	0.731	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115	-22.1	178.9	-62.6	-57.1	0	0	0	116.3	N565	N565-H567 PolarHBondContact O-N 3.15Å; N565-H567 PolarHBondContact OD1-N 3.18Å; N565-H567 VanDerWaalsContact OD1-N 3.13Å
568	I	55.1	Low	53.8	Low	92 Å²	92	69.8 Å²	69.8	47%	0.472	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	131.5	-175.2	-56.3	178.1	0	0	0	110.2	N565	N565-I568 PolarHBondContact N-O 3.13Å; N565-I568 PolarHBondContact O-N 3.03Å
569	T	54.8	Low	54.9	Low	81 Å²	81	72.1 Å²	72.1	50%	0.497	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	127.9	170.4	-47.2	0	0	0	0	109.8	K562 I563 D564	K562-T569 HydrophobicContact CD-CG2 4.4Å; K562-T569 HydrophobicContact CG-CG2 4.16Å; I563-T569 VanDerWaalsContact O-CA 3.26Å; I563-T569 WeakPolarHBondContact O-CA 3.45Å; I563-T569 WeakPolarHBondContact O-CG2 3.41Å; D564-T569 PolarHBondContact OD1-OG1 2.82Å
570	Y	58.9	Low	56.3	Low	132 Å²	132	76.2 Å²	76.2	52%	0.518	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	145.2	179.8	-178.7	-105.3	0	0	0	111.7	K562 I563 A572	K562-Y570 CarbonylContact C-O 3.21Å; K562-Y570 WeakPolarHBondContact CA-O 3.32Å; I563-Y570 HydrophobicContact CD1-CD1 4.28Å; I563-Y570 PolarHBondContact N-O 2.76Å; I563-Y570 PolarHBondContact O-N 2.65Å; I563-Y570 VanDerWaalsContact O-N 3.16Å; Y570-A572 HydrophobicContact CD1-CB 4.49Å; Y570-A572 HydrophobicContact CE1-CB 3.66Å
571	T	61.3	Low	57.5	Low	86 Å²	86	77.4 Å²	77.4	53%	0.528	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	124.4	175.9	55.3	0	0	0	0	111.8	M561 K562	M561-T571 CarbonylContact O-C 3.28Å; M561-T571 WeakPolarHBondContact O-CA 3.4Å; K562-T571 HydrophobicContact CB-CG2 4.33Å; K562-T571 HydrophobicContact CG-CG2 4.15Å
572	A	58.4	Low	58.8	Low	7 Å²	7	81.2 Å²	81.2	6%	0.058	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	144.3	173.5	0	0	0	0	0	112	T560 M561 Y570	T560-A572 CarbonylContact C-O 3.55Å; T560-A572 WeakPolarHBondContact CA-O 3.47Å; M561-A572 PolarHBondContact N-O 3.45Å; M561-A572 PolarHBondContact O-N 2.86Å; Y570-A572 HydrophobicContact CD1-CB 4.49Å; Y570-A572 HydrophobicContact CE1-CB 3.66Å
573	R	58	Low	59.7	Low	200 Å²	200	77.8 Å²	77.8	76%	0.755	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.2	127.2	169.7	-67.8	-176.3	-177.5	168.8	1.2	109.6	A559	A559-R573 CarbonylContact O-C 3.55Å; A559-R573 WeakPolarHBondContact O-CA 3.44Å
574	V	60.7	Low	60.7	Low	2 Å²	2	81 Å²	81	1%	0.012	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	135.5	-179.9	-169.9	0	0	0	0	109.8	W543 A559 M561 V578 Y581	W543-V574 HydrophobicContact CH2-CG1 3.88Å; W543-V574 HydrophobicContact CZ2-CG1 4.03Å; A559-V574 HydrophobicContact CB-CB 4.36Å; A559-V574 PolarHBondContact N-O 2.89Å; A559-V574 PolarHBondContact O-N 2.94Å; M561-V574 HydrophobicContact CE-CG2 4.4Å; V574-V578 HydrophobicContact CG1-CB 3.83Å; V574-V578 HydrophobicContact CG1-CG1 3.83Å; V574-Y581 HydrophobicContact CG1-CD2 3.94Å; V574-Y581 HydrophobicContact CG1-CE2 4.48Å; V574-Y581 HydrophobicContact CG2-CD2 3.83Å; V574-Y581 HydrophobicContact CG2-CE2 4.01Å; V574-Y581 HydrophobicContact CG2-CG 4.15Å
575	P	54.2	Low	61.5	Low	84 Å²	84	86.6 Å²	86.6	55%	0.545	44%	0.441	S	S	.	.			trans	-62.6	150	174.3	-20.1	31.8	0	0	0	113.2	D577 V578	P575-D577 VanDerWaalsContact C-N 3.3Å; P575-D577 PolarHBondContact O-N 2.7Å; P575-V578 HydrophobicContact CB-CG2 4.1Å; P575-V578 HydrophobicContact CG-CG2 4.22Å; P575-V578 WeakPolarHBondContact O-CB 3.41Å; P575-V578 PolarHBondContact O-N 3.07Å
576	V	53.8	Low	62.5	Low	44 Å²	44	86.5 Å²	86.5	27%	0.267	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-37.3	-175	-165.9	0	0	0	0	113.6	S557 V578	S557-V576 VanDerWaalsContact N-CG2 3.31Å; S557-V576 WeakPolarHBondContact O-CG2 3.36Å; S557-V576 WeakPolarHBondContact OG-CG1 3.38Å; S557-V576 VanDerWaalsContact OG-CG2 3.24Å; S557-V576 WeakPolarHBondContact OG-CG2 3.31Å; V576-V578 PolarHBondContact O-N 2.84Å
577	D	51.9	Low	63.6	Low	144 Å²	144	85.2 Å²	85.2	77%	0.77	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-9.9	-173.4	-54.8	-34.6	0	0	0	112.8	P575 H579	P575-D577 VanDerWaalsContact C-N 3.3Å; P575-D577 PolarHBondContact O-N 2.7Å; D577-H579 PolarHBondContact O-ND1 3.4Å
578	V	58.9	Low	65.1	Low	48 Å²	48	79.4 Å²	79.4	29%	0.291	40%	0.399	S	S	.	.			trans	-84.3	127.9	178.1	178.1	0	0	0	0	108.2	W543 V574 P575 V576 E580	W543-V578 HydrophobicContact CH2-CG1 4.21Å; W543-V578 WeakPolarHBondContact CZ2-O 3.28Å; V574-V578 HydrophobicContact CG1-CB 3.83Å; V574-V578 HydrophobicContact CG1-CG1 3.83Å; P575-V578 HydrophobicContact CB-CG2 4.1Å; P575-V578 HydrophobicContact CG-CG2 4.22Å; P575-V578 WeakPolarHBondContact O-CB 3.41Å; P575-V578 PolarHBondContact O-N 3.07Å; V576-V578 PolarHBondContact O-N 2.84Å; V578-E580 WeakPolarHBondContact CG1-O 3.32Å
579	H	66.3	Low	66.2	Low	99 Å²	99	78.2 Å²	78.2	46%	0.458	40%	0.399	S	S	.	.			trans	-113.7	-0.1	178.3	-66.5	73.5	0	0	0	112.2	S542 W543 D577	S542-H579 CarbonylContact C-O 3.56Å; S542-H579 WeakPolarHBondContact CA-O 3.32Å; S542-H579 WeakPolarHBondContact CB-O 3.18Å; W543-H579 PolarHBondContact N-O 2.78Å; D577-H579 PolarHBondContact O-ND1 3.4Å
580	E	75.1	Confident	67.2	Low	93 Å²	93	75.5 Å²	75.5	44%	0.435	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	133.3	-177.5	-56.3	-172.7	-162.3	0	0	109.8	K532 V541 V578	K532-E580 IonicContact NZ-OE1 2.82Å; K532-E580 PolarHBondContact NZ-OE1 2.85Å; K532-E580 IonicContact NZ-OE2 2.72Å; K532-E580 PolarHBondContact NZ-OE2 3.19Å; V541-E580 CarbonylContact O-C 3.49Å; V541-E580 VanDerWaalsContact O-CA 3.26Å; V541-E580 WeakPolarHBondContact O-CA 3.36Å; V578-E580 WeakPolarHBondContact CG1-O 3.32Å
581	Y	71	Confident	68.2	Low	68 Å²	68	74.4 Å²	74.4	27%	0.267	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	132.3	-178.7	-166	-98.1	0	0	0	111	V541 M561 V574 L583	V541-Y581 WeakPolarHBondContact CG2-O 3.4Å; V541-Y581 PolarHBondContact N-O 3.22Å; V541-Y581 PolarHBondContact O-N 3.27Å; M561-Y581 HydrophobicContact CE-CD1 3.81Å; M561-Y581 HydrophobicContact CE-CG 4.02Å; V574-Y581 HydrophobicContact CG1-CD2 3.94Å; V574-Y581 HydrophobicContact CG1-CE2 4.48Å; V574-Y581 HydrophobicContact CG2-CD2 3.83Å; V574-Y581 HydrophobicContact CG2-CE2 4.01Å; V574-Y581 HydrophobicContact CG2-CG 4.15Å; Y581-L583 HydrophobicContact CD1-CD2 3.78Å; Y581-L583 HydrophobicContact CD1-CG 4.22Å; Y581-L583 HydrophobicContact CE1-CD2 3.78Å
582	N	78.1	Confident	68.7	Low	80 Å²	80	70.9 Å²	70.9	43%	0.428	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	113.2	178.8	-167.9	5.4	0	0	0	110.1	L540	L540-N582 HydrophobicContact CD1-CB 3.97Å
583	L	73.5	Confident	69.6	Low	5 Å²	5	74 Å²	74	3%	0.026	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	119.3	174.3	-60	164.9	0	0	0	108.1	S538 I539 V541 M561 I563 Y581 L586 V594	S538-L583 CarbonylContact C-O 3.34Å; S538-L583 WeakPolarHBondContact CA-O 3.41Å; S538-L583 WeakPolarHBondContact CB-O 3.41Å; I539-L583 HydrophobicContact CB-CB 4.36Å; I539-L583 HydrophobicContact CB-CD1 4.36Å; I539-L583 PolarHBondContact N-O 3.31Å; I539-L583 WeakPolarHBondContact O-CB 3.36Å; I539-L583 PolarHBondContact O-N 2.97Å; V541-L583 HydrophobicContact CG1-CD1 4.47Å; M561-L583 HydrophobicContact CG-CD2 4.29Å; I563-L583 HydrophobicContact CD1-CD1 4.22Å; I563-L583 HydrophobicContact CD1-CD2 3.77Å; I563-L583 HydrophobicContact CD1-CG 4.42Å; I563-L583 HydrophobicContact CG1-CD1 4.48Å; I563-L583 HydrophobicContact CG1-CD2 4.41Å; Y581-L583 HydrophobicContact CD1-CD2 3.78Å; Y581-L583 HydrophobicContact CD1-CG 4.22Å; Y581-L583 HydrophobicContact CE1-CD2 3.78Å; L583-L586 HydrophobicContact CB-CD1 4.06Å; L583-V594 HydrophobicContact CD1-CB 4.49Å; L583-V594 HydrophobicContact CD1-CG1 3.82Å; L583-V594 HydrophobicContact CD1-CG2 3.77Å
584	T	77	Confident	70.5	Confident	77 Å²	77	64.6 Å²	64.6	47%	0.472	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	169.8	-178.5	57.6	0	0	0	0	111.2	L586	T584-L586 VanDerWaalsContact C-N 3.33Å; T584-L586 PolarHBondContact O-N 3.19Å
585	H	71.7	Confident	70.9	Confident	176 Å²	176	64.6 Å²	64.6	82%	0.815	34%	0.341	S	S	*	.	S	Bend	trans	65.1	30	179.5	-52.1	-77.3	0	0	0	114.9	H537	H537-H585 PolarHBondContact O-N 2.03Å; H537-H585 VanDerWaalsContact O-N 3.16Å
586	L	74.1	Confident	71.7	Confident	15 Å²	15	60.6 Å²	60.6	8%	0.079	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-83.4	154.7	175.5	-60	174.1	0	0	0	111	H537 I539 I563 L583 T584 Y592 T614	H537-L586 WeakPolarHBondContact CA-O 3.44Å; H537-L586 PolarHBondContact CD2-O 2.79Å; H537-L586 VanDerWaalsContact CD2-O 3.27Å; H537-L586 PolarHBondContact O-N 3.36Å; H537-L586 VanDerWaalsContact O-N 3.1Å; I539-L586 HydrophobicContact CB-CD1 4.01Å; I539-L586 HydrophobicContact CD1-CD1 3.46Å; I539-L586 VanDerWaalsContact CD1-CD1 3.46Å; I539-L586 HydrophobicContact CG1-CD1 3.52Å; I563-L586 HydrophobicContact CD1-CD2 4.16Å; L583-L586 HydrophobicContact CB-CD1 4.06Å; T584-L586 VanDerWaalsContact C-N 3.33Å; T584-L586 PolarHBondContact O-N 3.19Å; L586-Y592 HydrophobicContact CB-CE2 3.91Å; L586-Y592 HydrophobicContact CD1-CD2 4.48Å; L586-Y592 HydrophobicContact CD1-CE2 4.43Å; L586-Y592 HydrophobicContact CD2-CD1 4.43Å; L586-Y592 HydrophobicContact CD2-CE1 4.02Å; L586-Y592 HydrophobicContact CD2-CE2 4.18Å; L586-Y592 HydrophobicContact CG-CE2 4.4Å; L586-T614 HydrophobicContact CB-CG2 3.96Å; L586-T614 HydrophobicContact CD1-CG2 4.17Å
587	Q	73.9	Confident	72.3	Confident	98 Å²	98	60.4 Å²	60.4	46%	0.458	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-78.4	141.1	174.4	-68.2	-173.5	-29.6	0	0	109.9	T590 Y592 T614	Q587-T590 WeakPolarHBondContact O-CB 3.43Å; Q587-T590 PolarHBondContact O-OG1 2.96Å; Q587-Y592 WeakPolarHBondContact CB-OH 3.45Å; Q587-Y592 PolarHBondContact N-OH 2.83Å; Q587-T614 WeakPolarHBondContact O-CB 3.34Å; Q587-T614 PolarHBondContact O-OG1 3.19Å
588	P	80.3	Confident	72.9	Confident	37 Å²	37	54.6 Å²	54.6	24%	0.24	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	156.8	174	-19	30.7	0	0	0	112.8	S536 H537 T590 A617	S536-P588 WeakPolarHBondContact O-CA 3.34Å; S536-P588 WeakPolarHBondContact O-CG 3.24Å; H537-P588 WeakPolarHBondContact NE2-CG 3.49Å; P588-T590 PolarHBondContact O-N 2.67Å; P588-T590 VanDerWaalsContact O-N 3.16Å; P588-T590 PolarHBondContact O-OG1 2.67Å; P588-A617 HydrophobicContact CB-CB 3.71Å; P588-A617 HydrophobicContact CG-CB 3.51Å
589	S	78.8	Confident	72.7	Confident	66 Å²	66	54.4 Å²	54.4	46%	0.462	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.3	30.5	174.5	-48.2	0	0	0	0	114.5	T614 K615 N616	S589-T614 WeakPolarHBondContact CA-O 3.33Å; S589-T614 PolarHBondContact N-O 3.15Å; S589-T614 PolarHBondContact N-OG1 3.05Å; S589-T614 VanDerWaalsContact N-OG1 3.15Å; S589-K615 PolarHBondContact N-O 3.32Å; S589-N616 WeakPolarHBondContact CB-OD1 3.23Å; S589-N616 WeakPolarHBondContact OG-CA 3.42Å; S589-N616 PolarHBondContact OG-OD1 3.18Å
590	T	75.9	Confident	72	Confident	25 Å²	25	51.3 Å²	51.3	15%	0.153	27%	0.271	C	S	.	.			trans	-125.1	134.7	-166.8	-60.8	0	0	0	0	110.3	N565 Q587 P588 Y592 T613 T614	N565-T590 WeakPolarHBondContact ND2-CG2 3.49Å; Q587-T590 WeakPolarHBondContact O-CB 3.43Å; Q587-T590 PolarHBondContact O-OG1 2.96Å; P588-T590 PolarHBondContact O-N 2.67Å; P588-T590 VanDerWaalsContact O-N 3.16Å; P588-T590 PolarHBondContact O-OG1 2.67Å; T590-Y592 HydrophobicContact CG2-CD2 4.38Å; T590-Y592 HydrophobicContact CG2-CE1 4.2Å; T590-Y592 HydrophobicContact CG2-CE2 3.71Å; T590-Y592 VanDerWaalsContact O-CD2 3.31Å; T590-Y592 WeakPolarHBondContact O-CD2 3.47Å; T590-T613 WeakPolarHBondContact O-CA 3.4Å; T590-T614 PolarHBondContact N-OG1 3.03Å; T590-T614 PolarHBondContact O-N 2.95Å; T590-T614 PolarHBondContact O-OG1 2.99Å
591	D	78.4	Confident	70.4	Confident	109 Å²	109	52 Å²	52	58%	0.583	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.8	134	177.2	-67.3	-33.1	0	0	0	111	N565 T613	N565-D591 PolarHBondContact ND2-O 3.45Å; D591-T613 VanDerWaalsContact OD1-CB 3.26Å; D591-T613 WeakPolarHBondContact OD1-CB 3.43Å; D591-T613 WeakPolarHBondContact OD1-CG2 3.19Å; D591-T613 PolarHBondContact OD1-OG1 3.01Å
592	Y	73.4	Confident	69.1	Low	11 Å²	11	56 Å²	56	4%	0.043	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	134.8	178	-67.4	-74.9	0	0	0	110.7	I539 I563 N565 L586 Q587 T590 N611 V612 T614	I539-Y592 HydrophobicContact CD1-CD2 4.17Å; I563-Y592 HydrophobicContact CG2-CD1 3.39Å; I563-Y592 HydrophobicContact CG2-CE1 4.12Å; I563-Y592 HydrophobicContact CG2-CG 4.14Å; N565-Y592 HydrophobicContact CB-CD1 3.97Å; N565-Y592 HydrophobicContact CB-CE1 4.03Å; L586-Y592 HydrophobicContact CB-CE2 3.91Å; L586-Y592 HydrophobicContact CD1-CD2 4.48Å; L586-Y592 HydrophobicContact CD1-CE2 4.43Å; L586-Y592 HydrophobicContact CD2-CD1 4.43Å; L586-Y592 HydrophobicContact CD2-CE1 4.02Å; L586-Y592 HydrophobicContact CD2-CE2 4.18Å; L586-Y592 HydrophobicContact CG-CE2 4.4Å; Q587-Y592 WeakPolarHBondContact CB-OH 3.45Å; Q587-Y592 PolarHBondContact N-OH 2.83Å; T590-Y592 HydrophobicContact CG2-CD2 4.38Å; T590-Y592 HydrophobicContact CG2-CE1 4.2Å; T590-Y592 HydrophobicContact CG2-CE2 3.71Å; T590-Y592 VanDerWaalsContact O-CD2 3.31Å; T590-Y592 WeakPolarHBondContact O-CD2 3.47Å; Y592-N611 WeakPolarHBondContact O-CA 3.31Å; Y592-V612 PolarHBondContact N-O 3.12Å; Y592-V612 PolarHBondContact O-N 3.02Å; Y592-T614 HydrophobicContact CD2-CG2 3.94Å; Y592-T614 HydrophobicContact CE2-CG2 3.73Å
593	E	77.4	Confident	67.7	Low	74 Å²	74	60.4 Å²	60.4	35%	0.346	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	116.3	162.8	-177.8	179.9	-133.7	0	0	108.6	I563 D564 C609 N611	I563-E593 WeakPolarHBondContact CA-O 3.44Å; D564-E593 PolarHBondContact N-O 2.91Å; D564-E593 PolarHBondContact O-N 3.26Å; E593-C609 HydrophobicContact CG-CB 4.17Å; E593-N611 WeakPolarHBondContact CG-OD1 3.47Å
594	V	75.9	Confident	66.6	Low	1 Å²	1	66.4 Å²	66.4	1%	0.006	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	113.6	177.6	-177.3	0	0	0	0	109	I529 V541 M561 L583 C609 V610 V612	I529-V594 HydrophobicContact CD1-CG1 4Å; V541-V594 HydrophobicContact CG1-CG1 4.27Å; M561-V594 HydrophobicContact CG-CG1 3.92Å; M561-V594 HydrophobicContact SD-CG1 3.55Å; M561-V594 VanDerWaalsContact SD-CG1 3.55Å; L583-V594 HydrophobicContact CD1-CB 4.49Å; L583-V594 HydrophobicContact CD1-CG1 3.82Å; L583-V594 HydrophobicContact CD1-CG2 3.77Å; V594-C609 CarbonylContact O-C 3.04Å; V594-C609 VanDerWaalsContact O-CA 3.25Å; V594-C609 WeakPolarHBondContact O-CA 3.26Å; V594-V610 HydrophobicContact CB-CG1 4.12Å; V594-V610 PolarHBondContact N-O 2.76Å; V594-V610 PolarHBondContact O-N 3.32Å; V594-V612 HydrophobicContact CG2-CG1 3.79Å
595	C	69.3	Low	65.6	Low	2 Å²	2	68 Å²	68	1%	0.014	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	130	-180	-67.5	0	0	0	0	111.7	M561 K562 K607 S608 C609	M561-C595 CarbonylContact C-O 3.58Å; M561-C595 VanDerWaalsContact CA-O 3.24Å; M561-C595 WeakPolarHBondContact CA-O 3.48Å; K562-C595 HydrophobicContact CB-CB 4.42Å; K562-C595 PolarHBondContact N-O 3.14Å; K562-C595 PolarHBondContact O-N 2.94Å; C595-K607 HydrophobicContact CB-CG 4.5Å; C595-K607 WeakPolarHBondContact SG-CE 3.18Å; C595-S608 CarbonylContact C-O 3.57Å; C595-S608 WeakPolarHBondContact CA-O 3.43Å; C595-C609 HydrophobicContact CB-CB 4.11Å; C595-C609 WeakPolarHBondContact CB-SG 3.48Å; C595-C609 WeakPolarHBondContact SG-CB 3.37Å; C595-C609 CovalentContact SG-SG 2.04Å; C595-C609 PolarHBondContact SG-SG 3.31Å
596	L	70.9	Confident	65.1	Low	0 Å²	0	62.8 Å²	62.8	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	124.3	171.8	-174.8	68.2	0	0	0	109.6	L527 I529 W543 A559 M561 V598 K607 S608	L527-L596 HydrophobicContact CD1-CD2 3.79Å; L527-L596 HydrophobicContact CD2-CB 4.25Å; L527-L596 HydrophobicContact CD2-CD2 4.04Å; L527-L596 HydrophobicContact CD2-CG 4.04Å; L527-L596 WeakPolarHBondContact CD2-O 3.36Å; L527-L596 HydrophobicContact CG-CD2 4.21Å; I529-L596 HydrophobicContact CD1-CB 4.16Å; W543-L596 HydrophobicContact CB-CD2 3.83Å; W543-L596 HydrophobicContact CD2-CD2 3.5Å; W543-L596 HydrophobicContact CE3-CD2 4.01Å; W543-L596 HydrophobicContact CG-CD2 3.41Å; W543-L596 VanDerWaalsContact CG-CD2 3.41Å; A559-L596 HydrophobicContact CB-CD1 3.75Å; M561-L596 HydrophobicContact CE-CD1 4.43Å; M561-L596 HydrophobicContact SD-CB 4.35Å; M561-L596 HydrophobicContact SD-CD1 4.09Å; L596-V598 HydrophobicContact CG-CG2 4.43Å; L596-K607 CarbonylContact O-C 3.56Å; L596-K607 WeakPolarHBondContact O-CA 3.44Å; L596-S608 PolarHBondContact N-O 2.8Å; L596-S608 PolarHBondContact O-N 3.31Å
597	T	66.1	Low	64.9	Low	41 Å²	41	68.3 Å²	68.3	25%	0.252	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	127.5	172.8	57.3	0	0	0	0	111.2	A559 T560 Q606 K607	A559-T597 CarbonylContact C-O 3.53Å; A559-T597 VanDerWaalsContact CA-O 3.31Å; A559-T597 WeakPolarHBondContact CA-O 3.5Å; T560-T597 WeakPolarHBondContact CB-OG1 3.37Å; T560-T597 PolarHBondContact N-O 3.38Å; T560-T597 PolarHBondContact O-N 3.15Å; T560-T597 PolarHBondContact O-OG1 3.2Å; T560-T597 VanDerWaalsContact O-OG1 3.09Å; T597-Q606 WeakPolarHBondContact CA-O 3Å; T597-Q606 CarbonylContact C-O 3.53Å; T597-K607 HydrophobicContact CG2-CD 4.14Å; T597-K607 HydrophobicContact CG2-CB 3.92Å; T597-K607 HydrophobicContact CG2-CG 3.68Å
598	V	64.8	Low	64.9	Low	21 Å²	21	64.4 Å²	64.4	13%	0.127	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	130.1	176.2	-178.4	0	0	0	0	109	L527 A559 L596 T605 Q606	L527-V598 HydrophobicContact CD1-CG2 4.06Å; L527-V598 HydrophobicContact CD2-CB 4.45Å; L527-V598 HydrophobicContact CD2-CG2 3.82Å; A559-V598 HydrophobicContact CB-CG2 4.12Å; L596-V598 HydrophobicContact CG-CG2 4.43Å; V598-T605 WeakPolarHBondContact O-CA 3.28Å; V598-Q606 PolarHBondContact N-O 3.29Å; V598-Q606 PolarHBondContact O-N 3.17Å
599	S	54.5	Low	64.6	Low	45 Å²	45	65.1 Å²	65.1	32%	0.315	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	136.2	178.4	31.4	0	0	0	0	111.5
600	N	52	Low	64.6	Low	33 Å²	33	63.5 Å²	63.5	18%	0.176	33%	0.329	C	S	.	.			trans	-95.6	168.1	174.8	-173.3	25.7	0	0	0	112.5	V549 H602 Q603 Q604	V549-N600 HydrophobicContact CG1-CB 4.43Å; V549-N600 WeakPolarHBondContact CG1-ND2 3Å; N600-H602 PolarHBondContact O-N 2.86Å; N600-Q603 WeakPolarHBondContact O-CA 3.33Å; N600-Q603 PolarHBondContact O-N 3.15Å; N600-Q604 PolarHBondContact N-O 3.07Å
601	I	41	Very low	64.9	Low	109 Å²	109	68.2 Å²	68.2	56%	0.559	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-34.6	176.3	-52.2	166.4	0	0	0	112.3	L554 Q603	L554-I601 HydrophobicContact CD1-CD1 3.29Å; L554-I601 HydrophobicContact CD1-CG1 3.9Å; L554-I601 HydrophobicContact CD2-CD1 4Å; L554-I601 HydrophobicContact CD2-CG1 3.56Å; L554-I601 HydrophobicContact CG-CD1 4.06Å; L554-I601 HydrophobicContact CG-CG1 4.18Å; I601-Q603 PolarHBondContact O-N 3.14Å
602	H	43.8	Very low	65.1	Low	150 Å²	150	63.6 Å²	63.6	69%	0.694	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	17.6	175.8	-57.3	-57.8	0	0	0	113.8	N600 Q604	N600-H602 PolarHBondContact O-N 2.86Å; H602-Q604 PolarHBondContact O-N 3.31Å
603	Q	48.3	Very low	65.5	Low	173 Å²	173	66.7 Å²	66.7	81%	0.808	35%	0.349	S	S	*	.			trans	59.2	10.1	-177.7	-62.4	178.8	-11.9	0	0	116	N600 I601 T605	N600-Q603 WeakPolarHBondContact O-CA 3.33Å; N600-Q603 PolarHBondContact O-N 3.15Å; I601-Q603 PolarHBondContact O-N 3.14Å; Q603-T605 PolarHBondContact O-N 3.3Å
604	Q	50.6	Low	65.7	Low	131 Å²	131	63.3 Å²	63.3	61%	0.612	33%	0.334	S	S	*	.			trans	-69.6	124.2	171.1	-73.6	-178.7	-20.7	0	0	110	N600 H602	N600-Q604 PolarHBondContact N-O 3.07Å; H602-Q604 PolarHBondContact O-N 3.31Å
605	T	57.1	Low	66.1	Low	110 Å²	110	69.6 Å²	69.6	68%	0.675	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.9	129.4	179.6	50.6	0	0	0	0	110.2	V598 Q603	V598-T605 WeakPolarHBondContact O-CA 3.28Å; Q603-T605 PolarHBondContact O-N 3.3Å
606	Q	61.1	Low	66.4	Low	68 Å²	68	75.2 Å²	75.2	32%	0.318	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	133.1	174.1	-66.8	-171.5	-15.1	0	0	109.8	V526 T597 V598	V526-Q606 VanDerWaalsContact CG1-NE2 3.34Å; T597-Q606 WeakPolarHBondContact CA-O 3Å; T597-Q606 CarbonylContact C-O 3.53Å; V598-Q606 PolarHBondContact N-O 3.29Å; V598-Q606 PolarHBondContact O-N 3.17Å
607	K	69.7	Low	65.8	Low	130 Å²	130	77.6 Å²	77.6	57%	0.565	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.5	130.7	-176.7	-172.6	-179.4	-171.7	-149	0	110.5	C595 L596 T597 C609	C595-K607 HydrophobicContact CB-CG 4.5Å; C595-K607 WeakPolarHBondContact SG-CE 3.18Å; L596-K607 CarbonylContact O-C 3.56Å; L596-K607 WeakPolarHBondContact O-CA 3.44Å; T597-K607 HydrophobicContact CG2-CD 4.14Å; T597-K607 HydrophobicContact CG2-CB 3.92Å; T597-K607 HydrophobicContact CG2-CG 3.68Å; K607-C609 WeakPolarHBondContact CE-SG 3.35Å
608	S	72.8	Confident	65.1	Low	17 Å²	17	79.6 Å²	79.6	12%	0.119	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	133.1	169.6	-177.7	0	0	0	0	109.6	L527 I529 C595 L596	L527-S608 WeakPolarHBondContact O-CB 3.34Å; L527-S608 PolarHBondContact O-OG 3.33Å; I529-S608 PolarHBondContact N-OG 3.25Å; C595-S608 CarbonylContact C-O 3.57Å; C595-S608 WeakPolarHBondContact CA-O 3.43Å; L596-S608 PolarHBondContact N-O 2.8Å; L596-S608 PolarHBondContact O-N 3.31Å
609	C	75.7	Confident	64.2	Low	51 Å²	51	89.3 Å²	89.3	35%	0.345	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	150.2	-179.4	-56	0	0	0	0	112	E593 V594 C595 K607	E593-C609 HydrophobicContact CG-CB 4.17Å; V594-C609 CarbonylContact O-C 3.04Å; V594-C609 VanDerWaalsContact O-CA 3.25Å; V594-C609 WeakPolarHBondContact O-CA 3.26Å; C595-C609 HydrophobicContact CB-CB 4.11Å; C595-C609 WeakPolarHBondContact CB-SG 3.48Å; C595-C609 WeakPolarHBondContact SG-CB 3.37Å; C595-C609 CovalentContact SG-SG 2.04Å; C595-C609 PolarHBondContact SG-SG 3.31Å; K607-C609 WeakPolarHBondContact CE-SG 3.35Å
610	V	78.1	Confident	63.4	Low	33 Å²	33	90.9 Å²	90.9	20%	0.2	49%	0.488	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	137.7	172.4	64.8	0	0	0	0	110.1	I529 V531 V594	I529-V610 HydrophobicContact CD1-CG1 4.37Å; I529-V610 HydrophobicContact CG1-CG1 4.33Å; I529-V610 HydrophobicContact CG2-CB 3.92Å; I529-V610 HydrophobicContact CG2-CG1 3.79Å; V531-V610 HydrophobicContact CG2-CB 4.5Å; V531-V610 HydrophobicContact CG2-CG1 3.86Å; V531-V610 HydrophobicContact CG2-CG2 3.78Å; V594-V610 HydrophobicContact CB-CG1 4.12Å; V594-V610 PolarHBondContact N-O 2.76Å; V594-V610 PolarHBondContact O-N 3.32Å
611	N	83	Confident	62.7	Low	123 Å²	123	97.4 Å²	97.4	66%	0.658	52%	0.522	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.1	136.3	174.8	-66.2	-10.3	0	0	0	109.6	Y592 E593	Y592-N611 WeakPolarHBondContact O-CA 3.31Å; E593-N611 WeakPolarHBondContact CG-OD1 3.47Å
612	V	81.4	Confident	62.3	Low	13 Å²	13	99.5 Å²	99.5	8%	0.079	53%	0.534	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	135.2	-174.8	51.1	0	0	0	0	110.6	V531 A534 I539 Y592 V594	V531-V612 HydrophobicContact CG1-CG2 3.93Å; V531-V612 HydrophobicContact CG2-CB 3.88Å; V531-V612 HydrophobicContact CG2-CG1 4.35Å; V531-V612 HydrophobicContact CG2-CG2 4.03Å; A534-V612 HydrophobicContact CB-CG2 3.92Å; I539-V612 HydrophobicContact CD1-CB 4.29Å; I539-V612 HydrophobicContact CD1-CG1 3.56Å; I539-V612 HydrophobicContact CD1-CG2 3.84Å; I539-V612 HydrophobicContact CG1-CG2 4.3Å; I539-V612 HydrophobicContact CG2-CG1 4.15Å; I539-V612 HydrophobicContact CG2-CG2 4.05Å; Y592-V612 PolarHBondContact N-O 3.12Å; Y592-V612 PolarHBondContact O-N 3.02Å; V594-V612 HydrophobicContact CG2-CG1 3.79Å
613	T	82.8	Confident	62	Low	75 Å²	75	99.8 Å²	99.8	46%	0.46	54%	0.539	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	128.2	178.1	-43.8	0	0	0	0	109.5	T590 D591	T590-T613 WeakPolarHBondContact O-CA 3.4Å; D591-T613 VanDerWaalsContact OD1-CB 3.26Å; D591-T613 WeakPolarHBondContact OD1-CB 3.43Å; D591-T613 WeakPolarHBondContact OD1-CG2 3.19Å; D591-T613 PolarHBondContact OD1-OG1 3.01Å
614	T	81.9	Confident	61.2	Low	4 Å²	4	95.1 Å²	95.1	3%	0.025	53%	0.525	C	S	.	.	P	Polyproline II helix	trans	-69.5	147.6	172	51.1	0	0	0	0	110.9	E535 I539 L586 Q587 S589 T590 Y592	E535-T614 WeakPolarHBondContact O-CB 2.96Å; I539-T614 HydrophobicContact CD1-CG2 3.84Å; I539-T614 HydrophobicContact CG1-CG2 4Å; L586-T614 HydrophobicContact CB-CG2 3.96Å; L586-T614 HydrophobicContact CD1-CG2 4.17Å; Q587-T614 WeakPolarHBondContact O-CB 3.34Å; Q587-T614 PolarHBondContact O-OG1 3.19Å; S589-T614 WeakPolarHBondContact CA-O 3.33Å; S589-T614 PolarHBondContact N-O 3.15Å; S589-T614 PolarHBondContact N-OG1 3.05Å; S589-T614 VanDerWaalsContact N-OG1 3.15Å; T590-T614 PolarHBondContact N-OG1 3.03Å; T590-T614 PolarHBondContact O-N 2.95Å; T590-T614 PolarHBondContact O-OG1 2.99Å; Y592-T614 HydrophobicContact CD2-CG2 3.94Å; Y592-T614 HydrophobicContact CE2-CG2 3.73Å
615	K	83.1	Confident	60.6	Low	133 Å²	133	96.8 Å²	96.8	58%	0.578	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-70.6	158.6	-180	-68.1	-179.2	178.8	168.1	0	111	A534 E535 S536 S589 A617	A534-K615 VanDerWaalsContact O-CD 3.29Å; A534-K615 WeakPolarHBondContact O-CD 3.34Å; A534-K615 WeakPolarHBondContact O-CE 3.38Å; A534-K615 PolarHBondContact O-NZ 3Å; E535-K615 PolarHBondContact O-N 3.11Å; S536-K615 WeakPolarHBondContact CA-O 3.39Å; S589-K615 PolarHBondContact N-O 3.32Å; K615-A617 PolarHBondContact O-N 3.22Å
616	N	75.5	Confident	59.6	Low	119 Å²	119	98.5 Å²	98.5	64%	0.636	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-61.6	137.9	171.7	-70.4	12.1	0	0	0	110	S589 A618	S589-N616 WeakPolarHBondContact CB-OD1 3.23Å; S589-N616 WeakPolarHBondContact OG-CA 3.42Å; S589-N616 PolarHBondContact OG-OD1 3.18Å; N616-A618 PolarHBondContact O-N 2.74Å
617	A	57.8	Low	58.5	Low	51 Å²	51	104.6 Å²	104.6	42%	0.421	57%	0.568	S	S	.	*			trans	-73.6	74.6	168.2	0	0	0	0	0	109.3	P588 K615 F619	P588-A617 HydrophobicContact CB-CB 3.71Å; P588-A617 HydrophobicContact CG-CB 3.51Å; K615-A617 PolarHBondContact O-N 3.22Å; A617-F619 PolarHBondContact O-N 2.73Å
618	A	51.9	Low	57.1	Low	82 Å²	82	103.8 Å²	103.8	68%	0.678	57%	0.574	S	S	*	*			trans	-70.9	119.6	163.3	0	0	0	0	0	107.6	N616 A620	N616-A618 PolarHBondContact O-N 2.74Å; A618-A620 PolarHBondContact O-N 3.04Å
619	F	46.5	Very low	55.9	Low	225 Å²	225	107 Å²	107	99%	0.987	60%	0.596	S	S	*	*			trans	-65	87.9	156.9	-93.8	-89.6	0	0	0	107.2	A617	A617-F619 PolarHBondContact O-N 2.73Å
620	A	38	Very low	54.8	Low	78 Å²	78	110.3 Å²	110.3	65%	0.645	62%	0.615	S	S	*	*			trans	-93.2	114.4	168.2	0	0	0	0	0	107.8	A618 D622	A618-A620 PolarHBondContact O-N 3.04Å; A620-D622 PolarHBondContact O-N 3.46Å
621	L	35.8	Very low	53.6	Low	171 Å²	171	111.9 Å²	111.9	90%	0.895	63%	0.631	S	S	*	*			trans	-59.6	109.9	154.3	-84.8	157.6	0	0	0	106.5	I623	L621-I623 PolarHBondContact O-N 2.99Å
622	D	33.2	Very low	52.1	Low	153 Å²	153	111.9 Å²	111.9	82%	0.818	63%	0.63	S	S	*	*			trans	-65.9	96.1	172.1	-112.2	-10.5	0	0	0	108.5	A620 S624	A620-D622 PolarHBondContact O-N 3.46Å; D622-S624 VanDerWaalsContact C-N 3.26Å; D622-S624 PolarHBondContact O-N 3.2Å
623	I	37.1	Very low	50.8	Low	155 Å²	155	114.6 Å²	114.6	80%	0.795	65%	0.654	S	S	*	*			trans	-79.4	93.1	149.1	-63.5	176.2	0	0	0	104.4	L621 D625	L621-I623 PolarHBondContact O-N 2.99Å; I623-D625 PolarHBondContact O-N 2.83Å; I623-D625 VanDerWaalsContact O-N 3.1Å
624	S	31.2	Very low	49.5	Very low	75 Å²	75	114.3 Å²	114.3	52%	0.524	66%	0.66	S	S	.	*			trans	-65.1	102.6	173	174.6	0	0	0	0	109.2	D622 Q626	D622-S624 VanDerWaalsContact C-N 3.26Å; D622-S624 PolarHBondContact O-N 3.2Å; S624-Q626 PolarHBondContact O-N 2.97Å; S624-Q626 WeakPolarHBondContact OG-CB 3.46Å
625	D	38.6	Very low	48.3	Very low	166 Å²	166	118.5 Å²	118.5	89%	0.888	69%	0.685	S	S	*	*			trans	-71.1	83	155.7	-92.8	-24.5	0	0	0	107.5	I623	I623-D625 PolarHBondContact O-N 2.83Å; I623-D625 VanDerWaalsContact O-N 3.1Å
626	Q	35.7	Very low	47.1	Very low	146 Å²	146	117.9 Å²	117.9	68%	0.682	69%	0.686	S	S	*	*			trans	-100.2	110.6	168.2	-163.4	150.5	9.9	0	0	108.2	S624 T628	S624-Q626 PolarHBondContact O-N 2.97Å; S624-Q626 WeakPolarHBondContact OG-CB 3.46Å; Q626-T628 PolarHBondContact O-N 2.96Å
627	E	38.5	Very low	46.3	Very low	197 Å²	197	114.4 Å²	114.4	92%	0.921	68%	0.678	S	S	*	*			trans	-50.7	107.1	163	-76.3	-169.8	153.1	0	0	108.5	S629	E627-S629 PolarHBondContact O-N 2.8Å
628	T	41.1	Very low	46.4	Very low	113 Å²	113	115.3 Å²	115.3	69%	0.693	68%	0.681	S	S	*	*			trans	-82.4	110.7	178.1	40.2	0	0	0	0	108.1	Q626 T630	Q626-T628 PolarHBondContact O-N 2.96Å; T628-T630 PolarHBondContact O-N 3.32Å
629	S	46.4	Very low	46.7	Very low	84 Å²	84	116.9 Å²	116.9	59%	0.587	68%	0.676	S	S	*	*			trans	-63.3	102.9	158.1	179.8	0	0	0	0	107.8	E627 A631 L632	E627-S629 PolarHBondContact O-N 2.8Å; S629-A631 PolarHBondContact O-N 2.81Å; S629-L632 PolarHBondContact O-N 2.76Å
630	T	53.2	Low	47.2	Very low	121 Å²	121	113 Å²	113	74%	0.742	66%	0.658	S	S	*	*	H	α-helix	trans	-62.3	-4.8	-170.8	45.9	0	0	0	0	114.8	T628	T628-T630 PolarHBondContact O-N 3.32Å
631	A	53.1	Low	48.2	Very low	65 Å²	65	111.8 Å²	111.8	54%	0.537	65%	0.649	S	S	.	*	H	α-helix	trans	-86.3	-30.6	179.7	0	0	0	0	0	114.2	S629	S629-A631 PolarHBondContact O-N 2.81Å
632	L	51	Low	49.5	Very low	123 Å²	123	108.4 Å²	108.4	64%	0.644	64%	0.635	S	S	*	*	H	α-helix	trans	-85	-28.9	-172.7	-76.6	165.4	0	0	0	113.6	S629 M636	S629-L632 PolarHBondContact O-N 2.76Å; L632-M636 PolarHBondContact O-N 3.29Å
633	A	54	Low	50.9	Low	70 Å²	70	105.9 Å²	105.9	58%	0.579	62%	0.621	S	S	*	*	H	α-helix	trans	-70.8	-33.8	178.5	0	0	0	0	0	113.1	G637	A633-G637 PolarHBondContact O-N 3.33Å
634	A	56	Low	51.9	Low	70 Å²	70	101.5 Å²	101.5	58%	0.579	60%	0.603	S	S	*	*	H	α-helix	trans	-70.4	-36.6	179.3	0	0	0	0	0	112.5	S638	A634-S638 PolarHBondContact O-N 2.61Å
635	V	57.3	Low	53.1	Low	92 Å²	92	104.2 Å²	104.2	56%	0.558	61%	0.612	S	S	*	*	H	α-helix	trans	-73.2	-41.9	179.9	-179	0	0	0	0	111	S638 M639	V635-S638 PolarHBondContact O-OG 3.17Å; V635-M639 PolarHBondContact O-N 3.24Å
636	M	56.4	Low	54.1	Low	120 Å²	120	99 Å²	99	59%	0.591	59%	0.591	S	S	*	*	H	α-helix	trans	-70.2	-36	176.8	-68.3	-150.9	-71	0	0	112.9	L632 S638 M639 F640	L632-M636 PolarHBondContact O-N 3.29Å; M636-S638 PolarHBondContact O-N 3.01Å; M636-S638 VanDerWaalsContact C-N 3.34Å; M636-M639 PolarHBondContact O-N 3.14Å; M636-F640 VanDerWaalsContact O-CD2 3.3Å; M636-F640 WeakPolarHBondContact O-CD2 3.43Å; M636-F640 PolarHBondContact O-N 2.93Å
637	G	58.8	Low	55.2	Low	46 Å²	46	95.3 Å²	95.3	47%	0.474	58%	0.582	S	S	.	*	H	α-helix	trans	-62.3	-37.5	176	0	0	0	0	0	113.8	A633 A641	A633-G637 PolarHBondContact O-N 3.33Å; G637-A641 PolarHBondContact O-N 2.65Å
638	S	60.1	Low	56	Low	69 Å²	69	91 Å²	91	48%	0.483	56%	0.564	S	S	.	*	H	α-helix	trans	-70.2	-35.9	178.2	71.4	0	0	0	0	113.1	A634 V635 M636 V642	A634-S638 PolarHBondContact O-N 2.61Å; V635-S638 PolarHBondContact O-OG 3.17Å; M636-S638 PolarHBondContact O-N 3.01Å; M636-S638 VanDerWaalsContact C-N 3.34Å; S638-V642 WeakPolarHBondContact O-CG2 3.37Å; S638-V642 PolarHBondContact O-N 3.09Å
639	M	57.8	Low	56.6	Low	115 Å²	115	89 Å²	89	57%	0.567	55%	0.554	S	S	*	*	H	α-helix	trans	-71.4	-38.4	178.9	-75.6	-70.9	-71.1	0	0	113	V635 M636 V642 I643	V635-M639 PolarHBondContact O-N 3.24Å; M636-M639 PolarHBondContact O-N 3.14Å; M639-V642 PolarHBondContact O-N 3.15Å; M639-I643 WeakPolarHBondContact O-CD1 3.35Å; M639-I643 WeakPolarHBondContact O-CG1 3.44Å; M639-I643 PolarHBondContact O-N 2.78Å
640	F	58	Low	57.1	Low	143 Å²	143	89.2 Å²	89.2	63%	0.627	55%	0.552	S	S	*	*	H	α-helix	trans	-71.3	-29.3	178	-83.4	-74.1	0	0	0	113.4	M636 S644	M636-F640 VanDerWaalsContact O-CD2 3.3Å; M636-F640 WeakPolarHBondContact O-CD2 3.43Å; M636-F640 PolarHBondContact O-N 2.93Å; F640-S644 WeakPolarHBondContact O-CB 3.41Å; F640-S644 PolarHBondContact O-N 3.01Å; F640-S644 VanDerWaalsContact O-N 3.17Å; F640-S644 PolarHBondContact O-OG 3.06Å
641	A	59.3	Low	57.3	Low	53 Å²	53	92.3 Å²	92.3	44%	0.438	55%	0.551	S	S	.	*	H	α-helix	trans	-69.8	-37.5	175.2	0	0	0	0	0	112.6	G637 L645	G637-A641 PolarHBondContact O-N 2.65Å; A641-L645 PolarHBondContact O-N 3.49Å; A641-L645 WeakPolarHBondContact O-CG 3.4Å
642	V	62.5	Low	57.4	Low	101 Å²	101	95.2 Å²	95.2	61%	0.612	56%	0.557	S	S	*	*	H	α-helix	trans	-71.6	-37.3	179.1	176.2	0	0	0	0	111.8	S638 M639 A646	S638-V642 WeakPolarHBondContact O-CG2 3.37Å; S638-V642 PolarHBondContact O-N 3.09Å; M639-V642 PolarHBondContact O-N 3.15Å; V642-A646 PolarHBondContact O-N 2.95Å
643	I	61.9	Low	57.2	Low	100 Å²	100	94.7 Å²	94.7	51%	0.513	56%	0.559	S	S	.	*	H	α-helix	trans	-74.4	-31.9	179.6	-63.5	167.6	0	0	0	111.7	M639 S647	M639-I643 WeakPolarHBondContact O-CD1 3.35Å; M639-I643 WeakPolarHBondContact O-CG1 3.44Å; M639-I643 PolarHBondContact O-N 2.78Å; I643-S647 PolarHBondContact O-N 2.89Å; I643-S647 PolarHBondContact O-OG 3.44Å
644	S	58.5	Low	56.8	Low	62 Å²	62	100 Å²	100	43%	0.434	57%	0.569	S	S	.	*	H	α-helix	trans	-74.6	-30.5	177.8	-58.3	0	0	0	0	113	F640 S647 I648	F640-S644 WeakPolarHBondContact O-CB 3.41Å; F640-S644 PolarHBondContact O-N 3.01Å; F640-S644 VanDerWaalsContact O-N 3.17Å; F640-S644 PolarHBondContact O-OG 3.06Å; S644-S647 PolarHBondContact O-OG 3.07Å; S644-I648 WeakPolarHBondContact O-CD1 3.35Å; S644-I648 WeakPolarHBondContact O-CG1 3.45Å
645	L	57.8	Low	56.1	Low	133 Å²	133	107 Å²	107	70%	0.696	58%	0.58	S	S	*	*	H	α-helix	trans	-78.3	-28.6	175.3	-71.9	167.8	0	0	0	113	A641	A641-L645 PolarHBondContact O-N 3.49Å; A641-L645 WeakPolarHBondContact O-CG 3.4Å
646	A	58.1	Low	55.4	Low	56 Å²	56	112 Å²	112	46%	0.463	60%	0.595	S	S	.	*	H	α-helix	trans	-77.8	-23.9	177.4	0	0	0	0	0	114	V642 S649 V650	V642-A646 PolarHBondContact O-N 2.95Å; A646-S649 PolarHBondContact O-OG 3.2Å; A646-S649 VanDerWaalsContact O-OG 3.06Å; A646-V650 WeakPolarHBondContact O-CG2 3.42Å
647	S	58.3	Low	54.4	Low	69 Å²	69	116.1 Å²	116.1	48%	0.483	61%	0.609	S	S	.	*	H	α-helix	trans	-85.4	-23	-179.6	36.9	0	0	0	0	113	I643 S644 Y651	I643-S647 PolarHBondContact O-N 2.89Å; I643-S647 PolarHBondContact O-OG 3.44Å; S644-S647 PolarHBondContact O-OG 3.07Å; S647-Y651 PolarHBondContact O-N 3.16Å
648	I	57.2	Low	53.1	Low	106 Å²	106	125.4 Å²	125.4	54%	0.544	63%	0.63	S	S	.	*	H	α-helix	trans	-77.8	-31.7	175.2	-64.3	169.5	0	0	0	111.7	S644 I652	S644-I648 WeakPolarHBondContact O-CD1 3.35Å; S644-I648 WeakPolarHBondContact O-CG1 3.45Å; I648-I652 HydrophobicContact CG2-CD1 4.32Å; I648-I652 WeakPolarHBondContact O-CG1 3.28Å; I648-I652 PolarHBondContact O-N 3.09Å
649	S	53	Low	51.7	Low	70 Å²	70	131 Å²	131	49%	0.49	65%	0.646	S	S	.	*	H	α-helix	trans	-74.7	-28.8	177.8	57.5	0	0	0	0	113.8	A646 T653	A646-S649 PolarHBondContact O-OG 3.2Å; A646-S649 VanDerWaalsContact O-OG 3.06Å; S649-T653 PolarHBondContact O-OG1 3.5Å
650	V	57	Low	50.4	Low	90 Å²	90	131.4 Å²	131.4	55%	0.545	65%	0.65	S	S	.	*	H	α-helix	trans	-80.5	-28.5	175.1	176.5	0	0	0	0	112.1	A646 T653	A646-V650 WeakPolarHBondContact O-CG2 3.42Å; V650-T653 PolarHBondContact O-OG1 3.42Å
651	Y	57.8	Low	49.1	Very low	185 Å²	185	134.5 Å²	134.5	73%	0.725	66%	0.659	S	S	*	*	H	α-helix	trans	-72	-31.1	177.3	-168.4	-101.6	0	0	0	112.7	S647	S647-Y651 PolarHBondContact O-N 3.16Å
652	I	53.5	Low	47.7	Very low	126 Å²	126	139.5 Å²	139.5	65%	0.646	67%	0.673	S	S	*	*	H	α-helix	trans	-81.3	-26.6	-179.7	-65.1	173.3	0	0	0	112.5	I648	I648-I652 HydrophobicContact CG2-CD1 4.32Å; I648-I652 WeakPolarHBondContact O-CG1 3.28Å; I648-I652 PolarHBondContact O-N 3.09Å
653	T	47.7	Very low	46.3	Very low	112 Å²	112	143.6 Å²	143.6	69%	0.687	69%	0.685	S	S	*	*	H	α-helix	trans	-84.7	-13.5	-179.6	35	0	0	0	0	114.5	S649 V650	S649-T653 PolarHBondContact O-OG1 3.5Å; V650-T653 PolarHBondContact O-OG1 3.42Å
654	K	46.7	Very low	44.9	Very low	183 Å²	183	142.8 Å²	142.8	80%	0.796	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101	3.7	-175.9	-129	175.8	-176.9	176.7	0	115.6
655	R	40.7	Very low	43.4	Very low	216 Å²	216	146.6 Å²	146.6	82%	0.815	70%	0.703	S	S	*	*	S	Bend	trans	-91.4	11.6	177.3	-146.1	-177.1	179.6	178.9	0.8	114.8
656	F	42.8	Very low	42	Very low	196 Å²	196	149.3 Å²	149.3	86%	0.86	71%	0.709	S	S	*	*	S	Bend	trans	-128.6	83.5	171.8	-91.6	-83.7	0	0	0	111.8
657	K	33.9	Very low	40.7	Very low	207 Å²	207	156 Å²	156	90%	0.9	73%	0.728	S	S	*	*			trans	163.5	101.1	135.1	-93.1	173.8	175.8	177.7	0	110.2
658	R	33.2	Very low	39.4	Very low	241 Å²	241	163.6 Å²	163.6	91%	0.909	75%	0.748	S	S	*	*			trans	-74.3	137.1	151.6	-85	179.7	168.2	175.1	-3.9	108.6
659	K	30.7	Very low	37.8	Very low	186 Å²	186	165.4 Å²	165.4	81%	0.809	76%	0.756	S	S	*	*				167	130.2	113.8	-93.9	-178.3	176.6	-179.5	0	112
660	N	29.4	Very low	36.8	Very low	124 Å²	124	169.5 Å²	169.5	66%	0.663	77%	0.767	S	S	*	*			trans	41	124.2	140.4	-54.1	-1.8	0	0	0	119.7
661	Y	31.8	Very low	35.5	Very low	208 Å²	208	174.1 Å²	174.1	82%	0.816	78%	0.78	S	S	*	*				-174.6	156.4	85.5	-111.9	-88.5	0	0	0	112.2
662	H	29.4	Very low	34	Very low	159 Å²	159	172.4 Å²	172.4	74%	0.736	79%	0.789	S	S	*	*			trans	-56.2	152.5	179.5	-72.9	-93.2	0	0	0	115.8
663	H	32.8	Very low	33	Very low	186 Å²	186	171.2 Å²	171.2	86%	0.861	79%	0.792	S	S	*	*				-155.4	133.9	112.4	-122.8	-73.4	0	0	0	112
664	S	32.7	Very low	32.2	Very low	84 Å²	84	171.1 Å²	171.1	59%	0.587	80%	0.796	S	S	*	*			trans	-78.9	168.9	170.9	78.5	0	0	0	0	109.7
665	L	27.6	Very low	31.5	Very low	141 Å²	141	169.6 Å²	169.6	74%	0.738	80%	0.795	S	S	*	*			cis	-175.8	168.4	24.3	-143.9	131.2	0	0	0	104.4
666	K	28.1	Very low	31.1	Very low	190 Å²	190	164.7 Å²	164.7	83%	0.826	79%	0.791	S	S	*	*			trans	85.2	76	148.5	-125.2	177.1	-170.6	-179.5	0	118.7
667	K	30.2	Very low	31	Very low	196 Å²	196	163.5 Å²	163.5	85%	0.852	79%	0.792	S	S	*	*	S	Bend		-163.4	130.9	122.6	-113	175.3	178.8	-179.3	0	109.3
668	Y	30.4	Very low	31.1	Very low	230 Å²	230	161.1 Å²	161.1	90%	0.902	79%	0.789	S	S	*	*			trans	79	77.2	-176.7	-67.6	-81.8	0	0	0	116.7
669	M	24.6	Very low	31	Very low	144 Å²	144	158.5 Å²	158.5	71%	0.709	79%	0.788	S	S	*	*			trans	-88.4	144.7	156.2	-103.8	-169.7	125.2	0	0	109.8
670	Q	31.1	Very low	31	Very low	155 Å²	155	158.1 Å²	158.1	72%	0.724	79%	0.793	S	S	*	*			trans	71.6	126.4	137.2	-68.2	170.5	-27.9	0	0	116.3
671	K	29.6	Very low	30.9	Very low	188 Å²	188	163 Å²	163	82%	0.817	80%	0.804	S	S	*	*			cis	-154.2	143.4	27.8	-91.7	164.4	173.9	177	0	107.3
672	T	27.3	Very low	30.8	Very low	149 Å²	149	158.4 Å²	158.4	91%	0.914	80%	0.8	S	S	*	*				-163.3	140.1	113.6	42.6	0	0	0	0	109.1
673	S	31.5	Very low	31.1	Very low	100 Å²	100	156.3 Å²	156.3	70%	0.699	80%	0.8	S	S	*	*			trans	-118.2	132.9	-175.4	41.5	0	0	0	0	108.5
674	S	31.9	Very low	31	Very low	111 Å²	111	156.2 Å²	156.2	78%	0.776	81%	0.805	S	S	*	*			trans	59.3	152	161.8	63.8	0	0	0	0	115.5
675	I	31.2	Very low	30.8	Very low	150 Å²	150	158.8 Å²	158.8	77%	0.769	81%	0.811	S	S	*	*			cis	-158.8	-161.1	43	-48.1	170.5	0	0	0	106.6
676	P	32.4	Very low	30.9	Very low	113 Å²	113	158.9 Å²	158.9	73%	0.734	81%	0.812	S	S	*	*				-106.4	-178.2	-110.5	38.5	-19.6	0	0	0	116.9	N678	P676-N678 PolarHBondContact O-N 3.2Å
677	L	42.2	Very low	31	Very low	171 Å²	171	157.2 Å²	157.2	90%	0.895	81%	0.812	S	S	*	*			trans	-50.5	110.8	163.5	-95.3	79.8	0	0	0	112.3
678	N	35.8	Very low	31	Very low	157 Å²	157	158.9 Å²	158.9	84%	0.84	81%	0.813	S	S	*	*			trans	179	89.2	138	-113.9	4.6	0	0	0	109.7	P676	P676-N678 PolarHBondContact O-N 3.2Å
679	E	30.9	Very low	30.9	Very low	187 Å²	187	157.5 Å²	157.5	87%	0.874	81%	0.814	S	S	*	*			trans	-150.7	93.8	161.4	-80.9	-160.4	165.1	0	0	109.4
680	L	30.1	Very low	31	Very low	177 Å²	177	153.2 Å²	153.2	93%	0.927	81%	0.808	S	S	*	*	S	Bend	trans	-160.3	76.8	143.6	-122.1	99	0	0	0	107.1
681	Y	28	Very low	30.8	Very low	227 Å²	227	153.1 Å²	153.1	89%	0.89	81%	0.812	S	S	*	*			trans	33.9	118.3	165.5	-85.1	-90.6	0	0	0	121.6
682	P	29.3	Very low	30.6	Very low	111 Å²	111	148.9 Å²	148.9	72%	0.721	81%	0.806	S	S	*	*			trans	-96.2	166.1	153.8	26.8	-11.5	0	0	0	113.2
683	P	34.6	Very low	30.7	Very low	116 Å²	116	150.5 Å²	150.5	75%	0.753	80%	0.803	S	S	*	*			trans	-88.2	157.5	-172.9	36.6	-33.4	0	0	0	112.4
684	L	31.7	Very low	30.6	Very low	183 Å²	183	155.4 Å²	155.4	96%	0.958	81%	0.812	S	S	*	*			trans	-114.2	110	168.7	-83.6	164.5	0	0	0	110.9
685	I	27.9	Very low	30.4	Very low	138 Å²	138	157.4 Å²	157.4	71%	0.708	81%	0.814	S	S	*	*			trans	-96.1	141.7	161.8	-85.9	170.6	0	0	0	107.9
686	N	31	Very low	30.4	Very low	144 Å²	144	159.1 Å²	159.1	77%	0.77	82%	0.816	S	S	*	*			trans	47.6	117.9	158.2	-63.5	-7.4	0	0	0	121.1
687	L	28.5	Very low	30.2	Very low	155 Å²	155	161.1 Å²	161.1	81%	0.812	82%	0.82	S	S	*	*				-168	135.8	120.7	-84.6	128.9	0	0	0	103
688	W	31.2	Very low	29.5	Very low	231 Å²	231	156.8 Å²	156.8	88%	0.875	82%	0.817	S	S	*	*				-175.8	117.4	76.3	-84.5	67.8	0	0	0	107
689	E	27.3	Very low	29	Very low	200 Å²	200	155 Å²	155	94%	0.935	82%	0.816	S	S	*	*			trans	-89.8	144.3	145	-90.2	178.4	153.7	0	0	106.9
690	G	27.6	Very low	28.9	Very low	55 Å²	55	150.8 Å²	150.8	57%	0.567	81%	0.814	S	S	*	*			trans	124.7	109.3	156.6	0	0	0	0	0	117.8
691	D	26.6	Very low	28.7	Very low	153 Å²	153	151.1 Å²	151.1	82%	0.818	81%	0.811	S	S	*	*			trans	83.3	103.5	131.7	-64.8	-9.8	0	0	0	122.9
692	S	26.1	Very low	28.7	Very low	99 Å²	99	147.4 Å²	147.4	69%	0.692	81%	0.812	S	S	*	*				52.8	129.4	116.6	69.6	0	0	0	0	123.4
693	E	29.1	Very low	28.7	Very low	182 Å²	182	151.6 Å²	151.6	85%	0.85	82%	0.819	S	S	*	*			trans	55.4	121.4	142.4	-67.8	-173.5	167.5	0	0	121.6
694	K	29.2	Very low	28.4	Very low	204 Å²	204	151.9 Å²	151.9	89%	0.887	82%	0.82	S	S	*	*				177.9	142.1	114	-99.9	174.5	-178.2	173.6	0	115.3
695	D	27.8	Very low	28.2	Very low	152 Å²	152	149.4 Å²	149.4	81%	0.813	81%	0.813	S	S	*	*			trans	-65.6	151.7	171.6	-61.3	-56.7	0	0	0	115.8
696	K	30.6	Very low	28.3	Very low	186 Å²	186	152.5 Å²	152.5	81%	0.809	83%	0.825	S	S	*	*				156.6	133.9	111.4	-91.7	-168	173.9	-176.2	0	115.6
697	D	28.2	Very low	28.2	Very low	156 Å²	156	152 Å²	152	83%	0.834	83%	0.827	S	S	*	*			trans	41.9	136	139.7	-68.2	-30.9	0	0	0	123.6
698	G	27.3	Very low	28.2	Very low	80 Å²	80	151.2 Å²	151.2	83%	0.825	82%	0.823	S	S	*	*			trans	153.3	107.4	145.4	0	0	0	0	0	117.7
699	S	26.2	Very low	28.3	Very low	118 Å²	118	146.7 Å²	146.7	83%	0.825	82%	0.821	S	S	*	*			trans	-69	154.3	174.9	55.7	0	0	0	0	116.6
700	A	28.6	Very low	28.4	Very low	100 Å²	100	141.6 Å²	141.6	83%	0.826	81%	0.808	S	S	*	*				162.9	154.9	117.6	0	0	0	0	0	114.4
701	E	26.6	Very low	28.4	Very low	184 Å²	184	150.1 Å²	150.1	86%	0.86	82%	0.823	S	S	*	*			trans	-55.7	152.9	-169.7	-61.1	165.2	126.7	0	0	118.6
702	T	27.9	Very low	28.5	Very low	149 Å²	149	148 Å²	148	91%	0.914	82%	0.82	S	S	*	*				-170.9	144.4	125.9	14.8	0	0	0	0	113.7
703	K	28.5	Very low	28.4	Very low	199 Å²	199	153.8 Å²	153.8	87%	0.865	83%	0.828	S	S	*	*			trans	-69.9	170.3	-179.9	-102.3	-177.3	-179.9	177.1	0	113.9
704	P	29.6	Very low	28.3	Very low	121 Å²	121	155.5 Å²	155.5	79%	0.786	83%	0.828	S	S	*	*			trans	-90.5	144.7	-141	35.8	-35.4	0	0	0	114.1
705	T	26.1	Very low	27.9	Very low	131 Å²	131	153.4 Å²	153.4	80%	0.804	82%	0.823	S	S	*	*			trans	-126.2	136.3	164.2	38.4	0	0	0	0	110.2	V707	T705-V707 PolarHBondContact O-N 3.29Å
706	Q	31.3	Very low	28.1	Very low	203 Å²	203	161 Å²	161	95%	0.949	84%	0.841	S	S	*	*			trans	-45.9	129	178.9	-72.7	169.8	-47.3	0	0	112.3
707	V	28.6	Very low	28	Very low	134 Å²	134	159.8 Å²	159.8	81%	0.812	84%	0.843	S	S	*	*			trans	-96.3	111	174	178.9	0	0	0	0	109.2	T705	T705-V707 PolarHBondContact O-N 3.29Å
708	D	27.1	Very low	28	Very low	139 Å²	139	159.9 Å²	159.9	74%	0.743	84%	0.843	S	S	*	*			trans	-70.7	129.2	167.6	-172.6	-6.8	0	0	0	110	S710	D708-S710 PolarHBondContact O-N 3.44Å
709	T	34.6	Very low	28	Very low	135 Å²	135	164.4 Å²	164.4	83%	0.828	84%	0.844	S	S	*	*			trans	-86.6	73.8	-173.6	48.9	0	0	0	0	112
710	S	29.5	Very low	28.1	Very low	93 Å²	93	167.1 Å²	167.1	65%	0.65	85%	0.845	S	S	*	*			trans	-155	119.8	157.1	60	0	0	0	0	113.9	D708	D708-S710 PolarHBondContact O-N 3.44Å
711	R	27.6	Very low	28.1	Very low	234 Å²	234	171.3 Å²	171.3	88%	0.883	85%	0.846	S	S	*	*			trans	81	87	163.9	-64.9	179	165.9	173.3	-4	119.2
712	S	28.1	Very low	28.2	Very low	108 Å²	108	170.5 Å²	170.5	76%	0.755	85%	0.845	S	S	*	*				22.6	112.2	121.5	52.8	0	0	0	0	120.3
713	Y	24.8	Very low	28.2	Very low	221 Å²	221	172 Å²	172	87%	0.867	84%	0.841	S	S	*	*			trans	-148.4	167.9	141.8	-98.1	-83.8	0	0	0	108.5
714	Y	25.8	Very low	28.2	Very low	218 Å²	218	169.9 Å²	169.9	86%	0.855	84%	0.839	S	S	*	*			trans	91.6	111.7	-173.1	-56	-70	0	0	0	113
715	M	22.1	Very low	28	Very low	160 Å²	160	174 Å²	174	79%	0.788	84%	0.843	S	S	*	*			cis	66.3	112.6	39.9	-141.5	177.9	-176.7	0	0	112
716	W	31.1	Very low	28.2	Very low	312 Å²	312	177.9 Å²	177.9	100%	1.182	85%	0.847	S	S	*	*			trans	83.2	0	-173.7	-57.2	88.9	0	0	0	116.1

Retrieved 716 of 716 residues in 1205.3 ms (Link to these results)

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