A0A087Y2K0_POEFO Loading...

Leucine rich repeat containing 4B

AlphaFold DB , UniProt , Accession A0A087Y2K0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 729 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	33.6	Very low	39.3	Very low	237 Å²	237	145.4 Å²	145.4	100%	1.167	83%	0.829	S	S	*	*				0	140.6	0	-77.4	-179.6	168.2	0	0	108.4
2	R	32.4	Very low	40.3	Very low	232 Å²	232	143.7 Å²	143.7	88%	0.875	83%	0.827	S	S	*	*			trans	61.2	129.1	169.9	-63.1	179.2	175.9	176.8	-1.7	115.1
3	I	35.8	Very low	42	Very low	160 Å²	160	138.2 Å²	138.2	82%	0.821	80%	0.803	S	S	*	*			cis	102.7	138.7	37	-75.1	166.6	0	0	0	111.6
4	A	38.2	Very low	43.3	Very low	86 Å²	86	135.6 Å²	135.6	71%	0.711	79%	0.793	S	S	*	*			trans	83.7	144.2	174.5	0	0	0	0	0	116.2
5	T	40.7	Very low	44.3	Very low	126 Å²	126	137.5 Å²	137.5	77%	0.773	79%	0.788	S	S	*	*			cis	-163.9	-174.1	-8	12.6	0	0	0	0	111.4
6	L	33	Very low	45.3	Very low	153 Å²	153	136.3 Å²	136.3	80%	0.801	78%	0.777	S	S	*	*			trans	87.6	128.7	177.9	-68.6	82.7	0	0	0	115.4
7	T	38.9	Very low	46.3	Very low	125 Å²	125	137.8 Å²	137.8	77%	0.767	77%	0.773	S	S	*	*			cis	107.4	92.4	13.3	70.8	0	0	0	0	117.2
8	C	38.5	Very low	47.3	Very low	126 Å²	126	136.8 Å²	136.8	85%	0.851	77%	0.765	S	S	*	*			trans	53	123	135.9	-152.2	0	0	0	0	122.3
9	L	38.6	Very low	48.4	Very low	166 Å²	166	135.6 Å²	135.6	87%	0.869	76%	0.756	S	S	*	*			trans	-145.8	164.4	153.6	-92.3	176.8	0	0	0	109.2
10	P	48.9	Very low	49.5	Very low	120 Å²	120	133.3 Å²	133.3	78%	0.779	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-95.8	167.8	-148.6	37.2	-39.1	0	0	0	117.2
11	G	53.5	Low	50.5	Low	68 Å²	68	132.5 Å²	132.5	70%	0.701	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-88.7	169.8	178	0	0	0	0	0	115.9
12	P	51.1	Low	52.3	Low	125 Å²	125	127 Å²	127	81%	0.812	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-80.4	163.5	-172.5	33	-36.6	0	0	0	114.7
13	S	63.5	Low	54.1	Low	73 Å²	73	120.6 Å²	120.6	51%	0.51	69%	0.693	S	S	.	*	P	Polyproline II helix	trans	-86.3	153.3	-168.1	62.1	0	0	0	0	115.2	F15 L16	S13-F15 VanDerWaalsContact C-N 3.25Å; S13-F15 PolarHBondContact O-N 3Å; S13-L16 PolarHBondContact O-N 3.48Å
14	P	59.5	Low	55.5	Low	102 Å²	102	117.6 Å²	117.6	66%	0.662	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.6	-15.8	-174.9	26.7	-36	0	0	0	115	L16 F17 L18	P14-L16 VanDerWaalsContact C-N 3.26Å; P14-L16 PolarHBondContact O-N 3.3Å; P14-F17 PolarHBondContact O-N 3.46Å; P14-L18 PolarHBondContact O-N 3.45Å
15	F	58.1	Low	56.8	Low	163 Å²	163	121.5 Å²	121.5	72%	0.715	68%	0.675	S	S	*	*	H	α-helix	trans	-61.4	-32.2	178.7	-87.7	-86.5	0	0	0	113.2	S13 L18 L19	S13-F15 VanDerWaalsContact C-N 3.25Å; S13-F15 PolarHBondContact O-N 3Å; F15-L18 PolarHBondContact O-N 3.11Å; F15-L19 PolarHBondContact O-N 3.31Å; F15-L19 VanDerWaalsContact O-N 3.11Å
16	L	60.7	Low	57.8	Low	119 Å²	119	120.1 Å²	120.1	62%	0.623	66%	0.662	S	S	*	*	H	α-helix	trans	-65.6	-41.7	-179.2	-155.2	78	0	0	0	111.6	S13 P14 L19 V20	S13-L16 PolarHBondContact O-N 3.48Å; P14-L16 VanDerWaalsContact C-N 3.26Å; P14-L16 PolarHBondContact O-N 3.3Å; L16-L19 PolarHBondContact O-N 3.19Å; L16-V20 WeakPolarHBondContact O-CG2 3.48Å; L16-V20 PolarHBondContact O-N 3.2Å; L16-V20 VanDerWaalsContact O-N 3.14Å
17	F	61.8	Low	59	Low	162 Å²	162	117.9 Å²	117.9	71%	0.711	65%	0.65	S	S	*	*	H	α-helix	trans	-64.1	-41	175.3	-82.3	-83.8	0	0	0	112	P14 L19 V20 H21	P14-F17 PolarHBondContact O-N 3.46Å; F17-L19 PolarHBondContact O-N 3.48Å; F17-V20 PolarHBondContact O-N 3.12Å; F17-H21 WeakPolarHBondContact O-CB 3.32Å; F17-H21 PolarHBondContact O-N 3.14Å
18	L	64.9	Low	59.9	Low	120 Å²	120	117.6 Å²	117.6	63%	0.628	64%	0.644	S	S	*	*	H	α-helix	trans	-63.1	-42.6	179.3	-152.3	81.3	0	0	0	111.6	P14 F15 H21 L22	P14-L18 PolarHBondContact O-N 3.45Å; F15-L18 PolarHBondContact O-N 3.11Å; L18-H21 PolarHBondContact O-N 3.45Å; L18-L22 PolarHBondContact O-N 3.41Å
19	L	67.4	Low	60.8	Low	113 Å²	113	117.7 Å²	117.7	59%	0.592	63%	0.634	S	S	*	*	H	α-helix	trans	-64.3	-45.7	178.6	-160.4	82.7	0	0	0	112	F15 L16 F17 H21 L22 L23	F15-L19 PolarHBondContact O-N 3.31Å; F15-L19 VanDerWaalsContact O-N 3.11Å; L16-L19 PolarHBondContact O-N 3.19Å; F17-L19 PolarHBondContact O-N 3.48Å; L19-H21 VanDerWaalsContact C-N 3.33Å; L19-H21 PolarHBondContact O-N 2.97Å; L19-L22 PolarHBondContact O-N 3.39Å; L19-L23 HydrophobicContact CG-CD1 4.43Å; L19-L23 PolarHBondContact O-N 3Å
20	V	71.7	Confident	61.3	Low	90 Å²	90	116.2 Å²	116.2	55%	0.545	63%	0.627	S	S	.	*	H	α-helix	trans	-61.1	-41.9	175.6	170.7	0	0	0	0	110.9	L16 F17 L22 L23 L24	L16-V20 WeakPolarHBondContact O-CG2 3.48Å; L16-V20 PolarHBondContact O-N 3.2Å; L16-V20 VanDerWaalsContact O-N 3.14Å; F17-V20 PolarHBondContact O-N 3.12Å; V20-L22 VanDerWaalsContact C-N 3.34Å; V20-L22 PolarHBondContact O-N 3.34Å; V20-L23 PolarHBondContact O-N 3.23Å; V20-L24 WeakPolarHBondContact O-CB 3.27Å; V20-L24 PolarHBondContact O-N 2.89Å
21	H	69.9	Low	61.3	Low	116 Å²	116	117.5 Å²	117.5	54%	0.537	62%	0.622	S	S	.	*	H	α-helix	trans	-68.5	-33.6	179.6	-132.1	-22.4	0	0	0	112.8	F17 L18 L19 R25	F17-H21 WeakPolarHBondContact O-CB 3.32Å; F17-H21 PolarHBondContact O-N 3.14Å; L18-H21 PolarHBondContact O-N 3.45Å; L19-H21 VanDerWaalsContact C-N 3.33Å; L19-H21 PolarHBondContact O-N 2.97Å; H21-R25 WeakPolarHBondContact O-CG 3.44Å; H21-R25 PolarHBondContact O-N 2.94Å; H21-R25 VanDerWaalsContact O-N 3.09Å
22	L	71.5	Confident	61	Low	123 Å²	123	116 Å²	116	64%	0.644	61%	0.606	S	S	*	*	H	α-helix	trans	-68.5	-45.3	175.1	-140.7	78.3	0	0	0	111.5	L18 L19 V20 L24 R25 L26	L18-L22 PolarHBondContact O-N 3.41Å; L19-L22 PolarHBondContact O-N 3.39Å; V20-L22 VanDerWaalsContact C-N 3.34Å; V20-L22 PolarHBondContact O-N 3.34Å; L22-L24 VanDerWaalsContact C-N 3.35Å; L22-L24 PolarHBondContact O-N 2.94Å; L22-R25 PolarHBondContact O-N 3.29Å; L22-L26 WeakPolarHBondContact O-CB 3.48Å; L22-L26 PolarHBondContact O-N 3.48Å
23	L	69.7	Low	60.8	Low	96 Å²	96	116 Å²	116	50%	0.503	61%	0.606	S	S	.	*	H	α-helix	trans	-61.4	-41.2	175.1	-77.7	164	0	0	0	112.1	L19 V20 L26 L27	L19-L23 HydrophobicContact CG-CD1 4.43Å; L19-L23 PolarHBondContact O-N 3Å; V20-L23 PolarHBondContact O-N 3.23Å; L23-L26 PolarHBondContact O-N 2.95Å; L23-L27 PolarHBondContact O-N 3.47Å
24	L	65.6	Low	59.6	Low	98 Å²	98	121.1 Å²	121.1	51%	0.513	62%	0.622	S	S	.	*	H	α-helix	trans	-64.7	-40.1	176.7	-163.3	74	0	0	0	112	V20 L22 L28	V20-L24 WeakPolarHBondContact O-CB 3.27Å; V20-L24 PolarHBondContact O-N 2.89Å; L22-L24 VanDerWaalsContact C-N 3.35Å; L22-L24 PolarHBondContact O-N 2.94Å; L24-L28 WeakPolarHBondContact O-CG 3.39Å; L24-L28 PolarHBondContact O-N 2.99Å
25	R	64.5	Low	58.9	Low	168 Å²	168	124.5 Å²	124.5	63%	0.634	63%	0.634	S	S	*	*	H	α-helix	trans	-67	-36	172.8	-75.1	-175.6	-179.8	-145.5	0.6	112.3	H21 L22 L28 I29	H21-R25 WeakPolarHBondContact O-CG 3.44Å; H21-R25 PolarHBondContact O-N 2.94Å; H21-R25 VanDerWaalsContact O-N 3.09Å; L22-R25 PolarHBondContact O-N 3.29Å; R25-L28 PolarHBondContact O-N 3.09Å; R25-I29 WeakPolarHBondContact O-CG1 3.38Å; R25-I29 PolarHBondContact O-N 3.35Å; R25-I29 VanDerWaalsContact O-N 3.14Å
26	L	63	Low	58	Low	97 Å²	97	121 Å²	121	51%	0.508	64%	0.635	S	S	.	*	H	α-helix	trans	-67.3	-40.9	176.8	-161	70.3	0	0	0	111.5	L22 L23 L28 I29 L30	L22-L26 WeakPolarHBondContact O-CB 3.48Å; L22-L26 PolarHBondContact O-N 3.48Å; L23-L26 PolarHBondContact O-N 2.95Å; L26-L28 VanDerWaalsContact C-N 3.31Å; L26-L28 PolarHBondContact O-N 3.42Å; L26-I29 PolarHBondContact O-N 2.95Å; L26-I29 VanDerWaalsContact O-N 3.12Å; L26-L30 HydrophobicContact CD1-CD1 4.43Å; L26-L30 HydrophobicContact CG-CD1 4.02Å; L26-L30 VanDerWaalsContact O-CD1 3.27Å; L26-L30 WeakPolarHBondContact O-CD1 3.46Å; L26-L30 PolarHBondContact O-N 3.34Å
27	L	58.3	Low	56.9	Low	105 Å²	105	118.5 Å²	118.5	55%	0.55	64%	0.638	S	S	.	*	H	α-helix	trans	-59.2	-40.3	172.6	-107.8	84	0	0	0	112.5	L23 I29 H31	L23-L27 PolarHBondContact O-N 3.47Å; L27-I29 VanDerWaalsContact C-N 3.28Å; L27-I29 PolarHBondContact O-N 3.14Å; L27-H31 WeakPolarHBondContact O-CB 3.45Å; L27-H31 PolarHBondContact O-N 3.31Å; L27-H31 PolarHBondContact O-ND1 3.41Å
28	L	56.4	Low	55.8	Low	120 Å²	120	115.6 Å²	115.6	63%	0.628	64%	0.644	S	S	*	*	H	α-helix	trans	-68.9	-22.3	176.6	-76.7	164	0	0	0	113.5	L24 R25 L26 H31	L24-L28 WeakPolarHBondContact O-CG 3.39Å; L24-L28 PolarHBondContact O-N 2.99Å; R25-L28 PolarHBondContact O-N 3.09Å; L26-L28 VanDerWaalsContact C-N 3.31Å; L26-L28 PolarHBondContact O-N 3.42Å; L28-H31 CarbonylContact O-C 3.59Å
29	I	57.4	Low	54.8	Low	127 Å²	127	114.1 Å²	114.1	65%	0.651	65%	0.649	S	S	*	*	H	α-helix	trans	-87.5	-36.6	176.7	-67.8	164.4	0	0	0	111.1	R25 L26 L27 H31 G32	R25-I29 WeakPolarHBondContact O-CG1 3.38Å; R25-I29 PolarHBondContact O-N 3.35Å; R25-I29 VanDerWaalsContact O-N 3.14Å; L26-I29 PolarHBondContact O-N 2.95Å; L26-I29 VanDerWaalsContact O-N 3.12Å; L27-I29 VanDerWaalsContact C-N 3.28Å; L27-I29 PolarHBondContact O-N 3.14Å; I29-H31 VanDerWaalsContact C-N 3.33Å; I29-G32 PolarHBondContact O-N 3.45Å
30	L	49.4	Very low	54.4	Low	136 Å²	136	113.7 Å²	113.7	71%	0.712	66%	0.655	S	S	*	*	H	α-helix	trans	-70.2	-29.5	170.7	-84.3	88.2	0	0	0	112.4	L26 G32	L26-L30 HydrophobicContact CD1-CD1 4.43Å; L26-L30 HydrophobicContact CG-CD1 4.02Å; L26-L30 VanDerWaalsContact O-CD1 3.27Å; L26-L30 WeakPolarHBondContact O-CD1 3.46Å; L26-L30 PolarHBondContact O-N 3.34Å; L30-G32 PolarHBondContact O-N 3.35Å
31	H	49.1	Very low	54.2	Low	146 Å²	146	113.3 Å²	113.3	68%	0.676	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.5	45.7	165.7	-61.6	84.1	0	0	0	111.3	L27 L28 I29	L27-H31 WeakPolarHBondContact O-CB 3.45Å; L27-H31 PolarHBondContact O-N 3.31Å; L27-H31 PolarHBondContact O-ND1 3.41Å; L28-H31 CarbonylContact O-C 3.59Å; I29-H31 VanDerWaalsContact C-N 3.33Å
32	G	47.1	Very low	54.8	Low	37 Å²	37	109.8 Å²	109.8	38%	0.381	64%	0.641	S	S	.	*			trans	-53.3	143.1	165.3	0	0	0	0	0	109.9	I29 L30 Q34	I29-G32 PolarHBondContact O-N 3.45Å; L30-G32 PolarHBondContact O-N 3.35Å; G32-Q34 PolarHBondContact O-N 2.97Å
33	P	47	Very low	55.5	Low	124 Å²	124	104.3 Å²	104.3	81%	0.805	61%	0.613	S	S	*	*			trans	-61.2	113.1	-177.7	25.5	-33.6	0	0	0	109.1	L35	P33-L35 PolarHBondContact O-N 3.19Å
34	Q	39.3	Very low	56.2	Low	182 Å²	182	105.7 Å²	105.7	85%	0.85	63%	0.631	S	S	*	*			trans	-52.9	138.7	164.9	-70.6	-179.8	-17.5	0	0	107.9	G32 A36	G32-Q34 PolarHBondContact O-N 2.97Å; Q34-A36 PolarHBondContact O-N 3.47Å
35	L	44	Very low	57.2	Low	173 Å²	173	105.4 Å²	105.4	91%	0.906	63%	0.629	S	S	*	*			trans	-69.9	77.9	167.8	-85.6	71.9	0	0	0	108.4	P33 G37	P33-L35 PolarHBondContact O-N 3.19Å; L35-G37 PolarHBondContact O-N 2.85Å
36	A	40.3	Very low	58.5	Low	90 Å²	90	98 Å²	98	74%	0.744	60%	0.603	S	S	*	*			trans	-63.3	88.3	162.7	0	0	0	0	0	107	Q34	Q34-A36 PolarHBondContact O-N 3.47Å
37	G	36.4	Very low	59.9	Low	66 Å²	66	98.2 Å²	98.2	68%	0.68	61%	0.609	S	S	*	*			trans	-60.3	136.6	-166	0	0	0	0	0	112.6	L35 A39	L35-G37 PolarHBondContact O-N 2.85Å; G37-A39 PolarHBondContact O-N 2.74Å
38	A	38.4	Very low	61.4	Low	101 Å²	101	95 Å²	95	84%	0.835	59%	0.594	S	S	*	*	S	Bend	trans	39.4	72.2	168.9	0	0	0	0	0	114.1	S40	A38-S40 PolarHBondContact O-N 3.13Å; A38-S40 VanDerWaalsContact O-N 3.13Å
39	A	44.4	Very low	63	Low	88 Å²	88	90.9 Å²	90.9	73%	0.727	58%	0.576	S	S	*	*			trans	-42.4	120.7	177.1	0	0	0	0	0	111.1	G37 T41	G37-A39 PolarHBondContact O-N 2.74Å; A39-T41 PolarHBondContact O-N 3.42Å
40	S	58.8	Low	64.1	Low	104 Å²	104	90.4 Å²	90.4	73%	0.727	57%	0.574	S	S	*	*			trans	-63.3	107.4	-164.3	54.2	0	0	0	0	111.8	A38 C42	A38-S40 PolarHBondContact O-N 3.13Å; A38-S40 VanDerWaalsContact O-N 3.13Å; S40-C42 VanDerWaalsContact C-N 3.26Å; S40-C42 PolarHBondContact O-N 3.05Å
41	T	68.3	Low	65.7	Low	83 Å²	83	92.5 Å²	92.5	51%	0.509	58%	0.581	S	S	.	*			trans	-70.3	81	177.5	35.9	0	0	0	0	111.2	A39	A39-T41 PolarHBondContact O-N 3.42Å
42	C	82.4	Confident	67.2	Low	42 Å²	42	85.9 Å²	85.9	28%	0.284	55%	0.551	S	S	.	*			trans	-100.5	132.2	162.2	-164.4	0	0	0	0	108.7	S40 C46 C48	S40-C42 VanDerWaalsContact C-N 3.26Å; S40-C42 PolarHBondContact O-N 3.05Å; C42-C46 PolarHBondContact SG-O 3.11Å; C42-C48 WeakPolarHBondContact CA-SG 3.42Å; C42-C48 HydrophobicContact CB-CB 3.74Å; C42-C48 WeakPolarHBondContact CB-SG 3.33Å; C42-C48 WeakPolarHBondContact SG-CB 3.12Å; C42-C48 PolarHBondContact SG-N 2.95Å; C42-C48 VanDerWaalsContact SG-N 3.41Å; C42-C48 CovalentContact SG-SG 2.03Å; C42-C48 PolarHBondContact SG-SG 3.09Å
43	P	86.4	Confident	69.2	Low	7 Å²	7	85.2 Å²	85.2	5%	0.045	54%	0.54	C	S	.	.			trans	-62	143.3	171	-17	28	0	0	0	110.7	L45 C46 P66 S68 I69	P43-L45 PolarHBondContact O-N 2.88Å; P43-L45 VanDerWaalsContact O-N 3.11Å; P43-C46 HydrophobicContact CB-CB 4.12Å; P43-C46 HydrophobicContact CG-CB 4.2Å; P43-C46 PolarHBondContact O-N 3.31Å; P43-P66 HydrophobicContact CB-CB 3.97Å; P43-P66 HydrophobicContact CG-CB 3.94Å; P43-S68 WeakPolarHBondContact CD-O 3.39Å; P43-I69 HydrophobicContact CG-CG1 4.14Å
44	S	84.1	Confident	71.5	Confident	126 Å²	126	84 Å²	84	88%	0.881	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-22.4	-172.7	50.2	0	0	0	0	115.3
45	L	87.1	Confident	74.2	Confident	91 Å²	91	75.3 Å²	75.3	48%	0.476	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	1.4	175.8	-59.9	176.2	0	0	0	113	P43 Q60 L62	P43-L45 PolarHBondContact O-N 2.88Å; P43-L45 VanDerWaalsContact O-N 3.11Å; L45-Q60 HydrophobicContact CB-CB 4.4Å; L45-Q60 HydrophobicContact CB-CG 4.37Å; L45-Q60 WeakPolarHBondContact O-CG 3.38Å; L45-Q60 PolarHBondContact O-OE1 2.7Å; L45-L62 HydrophobicContact CD1-CD2 3.86Å
46	C	90.9	Very high	76.6	Confident	14 Å²	14	69.6 Å²	69.6	10%	0.095	45%	0.449	C	S	.	.	S	Bend	trans	-114.3	151.1	-175.4	-58.1	0	0	0	0	111.8	C42 P43 V55 I56 C57	C42-C46 PolarHBondContact SG-O 3.11Å; P43-C46 HydrophobicContact CB-CB 4.12Å; P43-C46 HydrophobicContact CG-CB 4.2Å; P43-C46 PolarHBondContact O-N 3.31Å; C46-V55 HydrophobicContact CB-CG1 4.12Å; C46-I56 CarbonylContact C-O 3.46Å; C46-I56 WeakPolarHBondContact CA-O 3.36Å; C46-C57 HydrophobicContact CB-CB 4.06Å; C46-C57 WeakPolarHBondContact CB-SG 3.34Å; C46-C57 WeakPolarHBondContact SG-CB 3.47Å; C46-C57 CovalentContact SG-SG 2.03Å; C46-C57 PolarHBondContact SG-SG 2.79Å
47	T	91.6	Very high	79.2	Confident	101 Å²	101	65.3 Å²	65.3	62%	0.62	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.8	122.1	169.1	-60.4	0	0	0	0	109.1	I56	T47-I56 PolarHBondContact N-O 3.42Å; T47-I56 PolarHBondContact O-N 3.2Å
48	C	91.6	Very high	82	Confident	36 Å²	36	64.3 Å²	64.3	24%	0.243	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	140.2	178.3	-55.9	0	0	0	0	111.5	C42 A52 R54 V55	C42-C48 WeakPolarHBondContact CA-SG 3.42Å; C42-C48 HydrophobicContact CB-CB 3.74Å; C42-C48 WeakPolarHBondContact CB-SG 3.33Å; C42-C48 WeakPolarHBondContact SG-CB 3.12Å; C42-C48 PolarHBondContact SG-N 2.95Å; C42-C48 VanDerWaalsContact SG-N 3.41Å; C42-C48 CovalentContact SG-SG 2.03Å; C42-C48 PolarHBondContact SG-SG 3.09Å; C48-A52 HydrophobicContact CB-CB 4.09Å; C48-R54 WeakPolarHBondContact CA-O 2.98Å; C48-V55 HydrophobicContact CB-CG2 4.49Å
49	S	89.7	Confident	84.6	Confident	34 Å²	34	68 Å²	68	24%	0.238	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	165.4	178.2	55.5	0	0	0	0	111.7	A52 S53 R54	S49-A52 CarbonylContact O-C 3.33Å; S49-A52 WeakPolarHBondContact O-CA 3.42Å; S49-A52 PolarHBondContact O-N 3.31Å; S49-S53 PolarHBondContact O-N 3.33Å; S49-S53 VanDerWaalsContact O-N 3.11Å; S49-R54 PolarHBondContact N-O 3.15Å; S49-R54 PolarHBondContact O-N 2.9Å; S49-R54 VanDerWaalsContact O-N 3.15Å
50	N	80.6	Confident	86.9	Confident	117 Å²	117	67.5 Å²	67.5	63%	0.626	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	63.2	-178.7	-60	-4.7	0	0	0	112.6	A52 S53	N50-A52 PolarHBondContact O-N 3.11Å; N50-S53 WeakPolarHBondContact O-CB 3.28Å; N50-S53 PolarHBondContact O-N 3Å
51	Q	81.3	Confident	88.5	Confident	181 Å²	181	68.5 Å²	68.5	85%	0.846	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	37.7	-177.4	-57.9	175.4	-7.4	0	0	113.1	S53	Q51-S53 PolarHBondContact O-N 3.25Å
52	A	81.4	Confident	89.7	Confident	7 Å²	7	65.5 Å²	65.5	6%	0.058	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.8	25	-172	0	0	0	0	0	115	C48 S49 N50 T73	C48-A52 HydrophobicContact CB-CB 4.09Å; S49-A52 CarbonylContact O-C 3.33Å; S49-A52 WeakPolarHBondContact O-CA 3.42Å; S49-A52 PolarHBondContact O-N 3.31Å; N50-A52 PolarHBondContact O-N 3.11Å; A52-T73 PolarHBondContact O-OG1 2.9Å
53	S	90.3	Very high	90.3	Very high	22 Å²	22	69.8 Å²	69.8	15%	0.154	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-21.2	172.8	-156.3	0	0	0	0	113.3	S49 N50 Q51 N72 R74 Y75	S49-S53 PolarHBondContact O-N 3.33Å; S49-S53 VanDerWaalsContact O-N 3.11Å; N50-S53 WeakPolarHBondContact O-CB 3.28Å; N50-S53 PolarHBondContact O-N 3Å; Q51-S53 PolarHBondContact O-N 3.25Å; S53-N72 WeakPolarHBondContact CA-O 3.28Å; S53-N72 PolarHBondContact OG-O 2.82Å; S53-R74 PolarHBondContact O-N 2.03Å; S53-R74 WeakPolarHBondContact OG-CD 3.4Å; S53-R74 WeakPolarHBondContact OG-CG 3.46Å; S53-Y75 PolarHBondContact O-N 3.22Å; S53-Y75 VanDerWaalsContact O-N 3.15Å
54	R	94.3	Very high	90.6	Very high	98 Å²	98	74.7 Å²	74.7	37%	0.37	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	124.4	166.9	-59.1	-177.1	68.1	88.8	0.7	109.2	C48 S49 Y75	C48-R54 WeakPolarHBondContact CA-O 2.98Å; S49-R54 PolarHBondContact N-O 3.15Å; S49-R54 PolarHBondContact O-N 2.9Å; S49-R54 VanDerWaalsContact O-N 3.15Å; R54-Y75 WeakPolarHBondContact CA-O 2.99Å; R54-Y75 HydrophobicContact CB-CD1 4.06Å; R54-Y75 HydrophobicContact CG-CD1 4.27Å; R54-Y75 VanDerWaalsContact NH2-CE1 3.27Å
55	V	94.9	Very high	91.1	Very high	0 Å²	0	69.8 Å²	69.8	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	127.2	179.9	179.8	0	0	0	0	109.2	C46 C48 T73 Y75 L76 N77	C46-V55 HydrophobicContact CB-CG1 4.12Å; C48-V55 HydrophobicContact CB-CG2 4.49Å; V55-T73 HydrophobicContact CB-CG2 4.12Å; V55-T73 HydrophobicContact CG2-CG2 3.8Å; V55-T73 WeakPolarHBondContact CG2-OG1 3.43Å; V55-Y75 PolarHBondContact N-O 3.47Å; V55-L76 HydrophobicContact CB-CD1 3.92Å; V55-L76 HydrophobicContact CG1-CD1 3.84Å; V55-N77 PolarHBondContact O-N 2.66Å
56	I	95.4	Very high	91.2	Very high	54 Å²	54	66.5 Å²	66.5	28%	0.277	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	117.7	-174.1	-56.7	171.9	0	0	0	108.7	C46 T47 T58 Y75	C46-I56 CarbonylContact C-O 3.46Å; C46-I56 WeakPolarHBondContact CA-O 3.36Å; T47-I56 PolarHBondContact N-O 3.42Å; T47-I56 PolarHBondContact O-N 3.2Å; I56-T58 HydrophobicContact CG2-CG2 4.02Å; I56-Y75 HydrophobicContact CG1-CE1 4.15Å
57	C	94.9	Very high	90.9	Very high	0 Å²	0	75.5 Å²	75.5	0%	0	38%	0.375	C	S	.	.			trans	-125.8	35.8	-178.3	-43.6	0	0	0	0	111.4	C46 Q60 L62 N77 L78 N81	C46-C57 HydrophobicContact CB-CB 4.06Å; C46-C57 WeakPolarHBondContact CB-SG 3.34Å; C46-C57 WeakPolarHBondContact SG-CB 3.47Å; C46-C57 CovalentContact SG-SG 2.03Å; C46-C57 PolarHBondContact SG-SG 2.79Å; C57-Q60 VanDerWaalsContact O-CG 3.31Å; C57-Q60 WeakPolarHBondContact O-CG 3.24Å; C57-L62 HydrophobicContact CB-CD1 3.82Å; C57-N77 PolarHBondContact N-O 3.03Å; C57-L78 HydrophobicContact CB-CD2 3.77Å; C57-N81 PolarHBondContact O-ND2 2.74Å
58	T	94.9	Very high	90.5	Very high	45 Å²	45	73.7 Å²	73.7	28%	0.276	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	142.7	-174.6	53.1	0	0	0	0	112.7	I56 Q60 N77 Q79	I56-T58 HydrophobicContact CG2-CG2 4.02Å; T58-Q60 VanDerWaalsContact C-N 3.32Å; T58-Q60 PolarHBondContact O-N 3.11Å; T58-Q60 PolarHBondContact O-NE2 3.02Å; T58-N77 VanDerWaalsContact CG2-OD1 3.24Å; T58-N77 WeakPolarHBondContact CG2-OD1 3.45Å; T58-Q79 VanDerWaalsContact CA-O 3.27Å; T58-Q79 WeakPolarHBondContact CA-O 3.35Å; T58-Q79 HydrophobicContact CG2-CB 4.17Å
59	R	93.4	Very high	90.4	Very high	177 Å²	177	72.8 Å²	72.8	67%	0.668	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.5	33.9	176.5	-55.4	179.3	-179.3	158.6	6.3	114.6	Q79 E80	R59-Q79 PolarHBondContact N-O 3.48Å; R59-E80 WeakPolarHBondContact CA-O 3.15Å; R59-E80 HydrophobicContact CG-CB 3.97Å; R59-E80 IonicContact CZ-OE2 3.17Å; R59-E80 PolarHBondContact N-O 3.06Å; R59-E80 VanDerWaalsContact N-O 3.13Å; R59-E80 IonicContact NE-OE2 3.07Å; R59-E80 PolarHBondContact NE-OE2 2.94Å; R59-E80 IonicContact NH2-OE1 3.26Å; R59-E80 IonicContact NH2-OE2 2.7Å; R59-E80 PolarHBondContact NH2-OE2 2.96Å
60	Q	92.5	Very high	90.4	Very high	79 Å²	79	71.7 Å²	71.7	37%	0.369	35%	0.352	S	S	.	.	S	Bend	trans	-102.3	6.1	-177.1	-58.7	-56.4	-47.1	0	0	113	L45 C57 T58 L62 N81	L45-Q60 HydrophobicContact CB-CB 4.4Å; L45-Q60 HydrophobicContact CB-CG 4.37Å; L45-Q60 WeakPolarHBondContact O-CG 3.38Å; L45-Q60 PolarHBondContact O-OE1 2.7Å; C57-Q60 VanDerWaalsContact O-CG 3.31Å; C57-Q60 WeakPolarHBondContact O-CG 3.24Å; T58-Q60 VanDerWaalsContact C-N 3.32Å; T58-Q60 PolarHBondContact O-N 3.11Å; T58-Q60 PolarHBondContact O-NE2 3.02Å; Q60-L62 HydrophobicContact CB-CD1 4.09Å; Q60-L62 HydrophobicContact CB-CD2 4.49Å; Q60-L62 HydrophobicContact CB-CG 3.83Å; Q60-L62 PolarHBondContact O-N 2.89Å; Q60-L62 VanDerWaalsContact O-N 3.14Å; Q60-N81 WeakPolarHBondContact CA-OD1 3.18Å; Q60-N81 PolarHBondContact N-OD1 2.82Å
61	N	93.6	Very high	90.9	Very high	125 Å²	125	69.2 Å²	69.2	67%	0.668	34%	0.34	S	S	*	.			trans	52.7	28.4	-175.8	-63.8	-39.4	0	0	0	114.1	E63 N81	N61-E63 PolarHBondContact O-N 3.28Å; N61-N81 PolarHBondContact N-OD1 3.13Å
62	L	93.4	Very high	91.4	Very high	20 Å²	20	64.6 Å²	64.6	11%	0.105	32%	0.321	C	S	.	.			trans	-63.5	123.8	-177.9	-66	167.4	0	0	0	110.8	L45 C57 Q60 P66 N81 S82 I83	L45-L62 HydrophobicContact CD1-CD2 3.86Å; C57-L62 HydrophobicContact CB-CD1 3.82Å; Q60-L62 HydrophobicContact CB-CD1 4.09Å; Q60-L62 HydrophobicContact CB-CD2 4.49Å; Q60-L62 HydrophobicContact CB-CG 3.83Å; Q60-L62 PolarHBondContact O-N 2.89Å; Q60-L62 VanDerWaalsContact O-N 3.14Å; L62-P66 HydrophobicContact CD1-CG 3.87Å; L62-P66 HydrophobicContact CD2-CG 4.33Å; L62-N81 HydrophobicContact CB-CB 4.17Å; L62-N81 PolarHBondContact N-OD1 3.06Å; L62-S82 CarbonylContact O-C 3.14Å; L62-S82 WeakPolarHBondContact O-CA 3.46Å; L62-S82 PolarHBondContact O-N 2.96Å; L62-I83 HydrophobicContact CB-CG1 4.44Å; L62-I83 VanDerWaalsContact O-CG1 3.29Å; L62-I83 WeakPolarHBondContact O-CG1 3.26Å; L62-I83 PolarHBondContact O-N 2.9Å
63	E	93.9	Very high	92	Very high	131 Å²	131	64.2 Å²	64.2	61%	0.612	32%	0.319	S	S	*	.	S	Bend	trans	-85.5	-18.2	174	-59.4	-171.6	156.9	0	0	112.9	N61 I83	N61-E63 PolarHBondContact O-N 3.28Å; E63-I83 WeakPolarHBondContact O-CA 3.22Å
64	Q	93	Very high	92.2	Very high	111 Å²	111	69.6 Å²	69.6	52%	0.519	34%	0.335	S	S	.	.	S	Bend	trans	-142.1	159.3	-178.3	-65.1	-176.4	70.2	0	0	109.9
65	V	93.4	Very high	92.4	Very high	23 Å²	23	66.4 Å²	66.4	14%	0.139	32%	0.324	C	S	.	.			trans	-67.6	133.4	175.5	179.7	0	0	0	0	109.8	I69 L78 I83 T90 F91	V65-I69 HydrophobicContact CG1-CD1 4.01Å; V65-L78 HydrophobicContact CG1-CD1 4.04Å; V65-L78 HydrophobicContact CG2-CD1 4.11Å; V65-I83 HydrophobicContact CG2-CD1 4.21Å; V65-T90 HydrophobicContact CB-CG2 3.71Å; V65-T90 HydrophobicContact CG1-CG2 3.8Å; V65-T90 HydrophobicContact CG2-CG2 3.85Å; V65-F91 HydrophobicContact CG1-CE1 3.79Å; V65-F91 HydrophobicContact CG1-CZ 4.41Å; V65-F91 HydrophobicContact CG2-CE1 4.25Å; V65-F91 HydrophobicContact CG2-CZ 4.03Å
66	P	90.5	Very high	92.5	Very high	22 Å²	22	66.4 Å²	66.4	14%	0.143	32%	0.324	C	S	.	.			trans	-62.9	136.6	175.6	-22.5	33.6	0	0	0	112.5	P43 L62 I69	P43-P66 HydrophobicContact CB-CB 3.97Å; P43-P66 HydrophobicContact CG-CB 3.94Å; L62-P66 HydrophobicContact CD1-CG 3.87Å; L62-P66 HydrophobicContact CD2-CG 4.33Å; P66-I69 HydrophobicContact CB-CG1 4.42Å; P66-I69 VanDerWaalsContact O-CD1 3.25Å; P66-I69 WeakPolarHBondContact O-CD1 3.39Å; P66-I69 WeakPolarHBondContact O-CG1 3.47Å
67	E	83.4	Confident	92.6	Very high	202 Å²	202	64.3 Å²	64.3	94%	0.944	31%	0.313	S	S	*	.	S	Bend	trans	-76	-28.5	-178.8	-60.3	-176.1	163.3	0	0	113.3	I69	E67-I69 VanDerWaalsContact C-N 3.3Å; E67-I69 PolarHBondContact O-N 3.28Å; E67-I69 VanDerWaalsContact O-N 3.13Å
68	S	84.2	Confident	92.6	Very high	63 Å²	63	64.3 Å²	64.3	44%	0.441	31%	0.313	S	S	.	.			trans	-88.3	39.4	-169.3	50.3	0	0	0	0	114.9	P43	P43-S68 WeakPolarHBondContact CD-O 3.39Å
69	I	90.1	Very high	92.7	Very high	17 Å²	17	64 Å²	64	9%	0.087	31%	0.308	C	S	.	.			trans	-86.7	133.1	-178	-58.2	171.4	0	0	0	111	P43 V65 P66 E67 T73 L76 L94	P43-I69 HydrophobicContact CG-CG1 4.14Å; V65-I69 HydrophobicContact CG1-CD1 4.01Å; P66-I69 HydrophobicContact CB-CG1 4.42Å; P66-I69 VanDerWaalsContact O-CD1 3.25Å; P66-I69 WeakPolarHBondContact O-CD1 3.39Å; P66-I69 WeakPolarHBondContact O-CG1 3.47Å; E67-I69 VanDerWaalsContact C-N 3.3Å; E67-I69 PolarHBondContact O-N 3.28Å; E67-I69 VanDerWaalsContact O-N 3.13Å; I69-T73 HydrophobicContact CG2-CG2 4.49Å; I69-L76 HydrophobicContact CD1-CD1 4.1Å; I69-L76 HydrophobicContact CD1-CD2 3.8Å; I69-L94 HydrophobicContact CB-CD2 4.2Å; I69-L94 HydrophobicContact CG2-CD1 4.01Å; I69-L94 HydrophobicContact CG2-CD2 3.72Å
70	S	89.7	Confident	92.9	Very high	12 Å²	12	58.3 Å²	58.3	8%	0.084	29%	0.29	C	S	.	.			trans	-63.7	136.2	-179.5	177.9	0	0	0	0	113.8	N72 T73 L94	S70-N72 PolarHBondContact O-N 2.68Å; S70-N72 VanDerWaalsContact O-N 3.09Å; S70-N72 PolarHBondContact OG-N 3.15Å; S70-T73 VanDerWaalsContact O-CB 3.28Å; S70-T73 WeakPolarHBondContact O-CB 3.43Å; S70-T73 PolarHBondContact O-N 2.82Å; S70-T73 PolarHBondContact O-OG1 3.04Å; S70-L94 WeakPolarHBondContact O-CD2 3.37Å
71	V	90.6	Very high	93.1	Very high	64 Å²	64	55 Å²	55	39%	0.388	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-19.3	174.9	178.6	0	0	0	0	113.1	Q93 H96	V71-Q93 HydrophobicContact CG2-CB 4.39Å; V71-H96 PolarHBondContact O-ND1 3.02Å
72	N	90.7	Very high	93.3	Very high	84 Å²	84	50.4 Å²	50.4	45%	0.449	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-0.6	178.5	-65.3	-16.9	0	0	0	113.8	S53 S70 R74	S53-N72 WeakPolarHBondContact CA-O 3.28Å; S53-N72 PolarHBondContact OG-O 2.82Å; S70-N72 PolarHBondContact O-N 2.68Å; S70-N72 VanDerWaalsContact O-N 3.09Å; S70-N72 PolarHBondContact OG-N 3.15Å; N72-R74 PolarHBondContact O-N 3.2Å
73	T	94.4	Very high	93.4	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.247	C	C	.	.			trans	-63.9	120.6	-179.5	-53.4	0	0	0	0	111.3	A52 V55 I69 S70 Y75 L76 H96 L97	A52-T73 PolarHBondContact O-OG1 2.9Å; V55-T73 HydrophobicContact CB-CG2 4.12Å; V55-T73 HydrophobicContact CG2-CG2 3.8Å; V55-T73 WeakPolarHBondContact CG2-OG1 3.43Å; I69-T73 HydrophobicContact CG2-CG2 4.49Å; S70-T73 VanDerWaalsContact O-CB 3.28Å; S70-T73 WeakPolarHBondContact O-CB 3.43Å; S70-T73 PolarHBondContact O-N 2.82Å; S70-T73 PolarHBondContact O-OG1 3.04Å; T73-Y75 WeakPolarHBondContact CG2-O 3.35Å; T73-L76 HydrophobicContact CG2-CB 4.02Å; T73-H96 CarbonylContact O-C 3.38Å; T73-L97 HydrophobicContact CG2-CD1 3.93Å; T73-L97 WeakPolarHBondContact O-CA 3.37Å; T73-L97 PolarHBondContact O-N 2.71Å
74	R	96	Very high	93.6	Very high	134 Å²	134	46.6 Å²	46.6	51%	0.506	23%	0.233	S	C	.	.	S	Bend	trans	-100.5	-29.4	171.2	-67.6	177.3	-178.4	-124.8	11.2	112.7	S53 N72 H96 E98 I99	S53-R74 PolarHBondContact O-N 2.03Å; S53-R74 WeakPolarHBondContact OG-CD 3.4Å; S53-R74 WeakPolarHBondContact OG-CG 3.46Å; N72-R74 PolarHBondContact O-N 3.2Å; R74-H96 WeakPolarHBondContact CA-O 3.45Å; R74-H96 HydrophobicContact CG-CB 4.32Å; R74-H96 WeakPolarHBondContact CG-O 3.07Å; R74-E98 WeakPolarHBondContact CD-OE1 3.04Å; R74-E98 IonicContact CZ-OE1 3.6Å; R74-E98 IonicContact NE-OE1 3.8Å; R74-E98 IonicContact NH1-OE1 2.7Å; R74-E98 PolarHBondContact NH1-OE1 3.41Å; R74-E98 PolarHBondContact O-N 2.99Å; R74-I99 PolarHBondContact O-N 3.06Å
75	Y	97.1	Very high	93.7	Very high	32 Å²	32	44.1 Å²	44.1	13%	0.125	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	116.6	-179.8	169.5	-91	0	0	0	109.2	S53 R54 V55 I56 T73 N77 I99 Q101	S53-Y75 PolarHBondContact O-N 3.22Å; S53-Y75 VanDerWaalsContact O-N 3.15Å; R54-Y75 WeakPolarHBondContact CA-O 2.99Å; R54-Y75 HydrophobicContact CB-CD1 4.06Å; R54-Y75 HydrophobicContact CG-CD1 4.27Å; R54-Y75 VanDerWaalsContact NH2-CE1 3.27Å; V55-Y75 PolarHBondContact N-O 3.47Å; I56-Y75 HydrophobicContact CG1-CE1 4.15Å; T73-Y75 WeakPolarHBondContact CG2-O 3.35Å; Y75-N77 HydrophobicContact CE1-CB 3.93Å; Y75-N77 PolarHBondContact OH-ND2 3.48Å; Y75-I99 HydrophobicContact CD2-CB 3.95Å; Y75-I99 HydrophobicContact CD2-CD1 4.31Å; Y75-I99 HydrophobicContact CD2-CG2 3.85Å; Y75-I99 HydrophobicContact CE2-CG2 4.14Å; Y75-Q101 VanDerWaalsContact CE2-OE1 3.27Å; Y75-Q101 PolarHBondContact OH-OE1 3.12Å
76	L	96.8	Very high	93.9	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	117.6	178.5	177.7	57.7	0	0	0	109.6	V55 I69 T73 L78 F91 L94 L97 I99 L100 Q101	V55-L76 HydrophobicContact CB-CD1 3.92Å; V55-L76 HydrophobicContact CG1-CD1 3.84Å; I69-L76 HydrophobicContact CD1-CD1 4.1Å; I69-L76 HydrophobicContact CD1-CD2 3.8Å; T73-L76 HydrophobicContact CG2-CB 4.02Å; L76-L78 HydrophobicContact CD1-CD2 4Å; L76-L78 HydrophobicContact CD1-CG 4.15Å; L76-L78 HydrophobicContact CD2-CD1 4.18Å; L76-L78 HydrophobicContact CD2-CG 4.5Å; L76-L78 HydrophobicContact CG-CD1 4.28Å; L76-L78 HydrophobicContact CG-CD2 4.46Å; L76-L78 HydrophobicContact CG-CG 4.07Å; L76-F91 HydrophobicContact CD2-CD1 4.32Å; L76-F91 HydrophobicContact CD2-CE1 4.09Å; L76-L94 HydrophobicContact CD2-CD1 3.91Å; L76-L97 HydrophobicContact CB-CD1 3.68Å; L76-I99 PolarHBondContact N-O 3.07Å; L76-L100 HydrophobicContact CB-CD1 4.19Å; L76-L100 HydrophobicContact CD2-CD1 3.89Å; L76-L100 HydrophobicContact CG-CD1 4.09Å; L76-Q101 PolarHBondContact O-N 3.21Å
77	N	97.1	Very high	94.1	Very high	10 Å²	10	47 Å²	47	5%	0.053	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	115.8	176.5	-174.2	-19.4	0	0	0	111	V55 C57 T58 Y75 Q79 Q101	V55-N77 PolarHBondContact O-N 2.66Å; C57-N77 PolarHBondContact N-O 3.03Å; T58-N77 VanDerWaalsContact CG2-OD1 3.24Å; T58-N77 WeakPolarHBondContact CG2-OD1 3.45Å; Y75-N77 HydrophobicContact CE1-CB 3.93Å; Y75-N77 PolarHBondContact OH-ND2 3.48Å; N77-Q79 PolarHBondContact ND2-OE1 3.1Å; N77-Q79 WeakPolarHBondContact OD1-CB 3Å; N77-Q79 WeakPolarHBondContact OD1-CG 3.3Å; N77-Q79 PolarHBondContact OD1-N 2.78Å; N77-Q79 PolarHBondContact OD1-OE1 3.29Å; N77-Q101 HydrophobicContact CB-CB 4.47Å; N77-Q101 PolarHBondContact ND2-OE1 3.13Å
78	L	96.7	Very high	94.7	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.209	C	C	.	.			trans	-116.9	20	177.4	-58.9	174.5	0	0	0	111.8	C57 V65 L76 N81 I83 F91 Q101 L102 N105	C57-L78 HydrophobicContact CB-CD2 3.77Å; V65-L78 HydrophobicContact CG1-CD1 4.04Å; V65-L78 HydrophobicContact CG2-CD1 4.11Å; L76-L78 HydrophobicContact CD1-CD2 4Å; L76-L78 HydrophobicContact CD1-CG 4.15Å; L76-L78 HydrophobicContact CD2-CD1 4.18Å; L76-L78 HydrophobicContact CD2-CG 4.5Å; L76-L78 HydrophobicContact CG-CD1 4.28Å; L76-L78 HydrophobicContact CG-CD2 4.46Å; L76-L78 HydrophobicContact CG-CG 4.07Å; L78-N81 PolarHBondContact O-ND2 3.02Å; L78-I83 HydrophobicContact CB-CD1 4.22Å; L78-I83 HydrophobicContact CD1-CD1 4.32Å; L78-F91 HydrophobicContact CD1-CE1 4.46Å; L78-Q101 PolarHBondContact N-O 2.98Å; L78-L102 HydrophobicContact CB-CD2 4.29Å; L78-L102 HydrophobicContact CD1-CD2 3.78Å; L78-N105 PolarHBondContact O-ND2 3Å
79	Q	96.9	Very high	95.1	Very high	37 Å²	37	39.8 Å²	39.8	17%	0.173	20%	0.202	C	C	.	.			trans	-64.7	154.2	-176.3	-67.2	167.8	-24.2	0	0	113.4	T58 R59 N77 N81 Q101 S103 E125	T58-Q79 VanDerWaalsContact CA-O 3.27Å; T58-Q79 WeakPolarHBondContact CA-O 3.35Å; T58-Q79 HydrophobicContact CG2-CB 4.17Å; R59-Q79 PolarHBondContact N-O 3.48Å; N77-Q79 PolarHBondContact ND2-OE1 3.1Å; N77-Q79 WeakPolarHBondContact OD1-CB 3Å; N77-Q79 WeakPolarHBondContact OD1-CG 3.3Å; N77-Q79 PolarHBondContact OD1-N 2.78Å; N77-Q79 PolarHBondContact OD1-OE1 3.29Å; Q79-N81 PolarHBondContact O-ND2 3.12Å; Q79-Q101 HydrophobicContact CG-CB 3.88Å; Q79-S103 VanDerWaalsContact CA-O 3.3Å; Q79-S103 WeakPolarHBondContact CA-O 3.35Å; Q79-S103 WeakPolarHBondContact CG-OG 3.32Å; Q79-S103 PolarHBondContact NE2-OG 3.3Å; Q79-S103 VanDerWaalsContact NE2-OG 3.12Å; Q79-E125 PolarHBondContact NE2-OE2 3.17Å
80	E	96.4	Very high	95.2	Very high	59 Å²	59	41.5 Å²	41.5	28%	0.276	21%	0.213	S	C	.	.	S	Bend	trans	58.1	54.9	175.9	-60	-177.5	173.8	0	0	111.4	R59 K104	R59-E80 WeakPolarHBondContact CA-O 3.15Å; R59-E80 HydrophobicContact CG-CB 3.97Å; R59-E80 IonicContact CZ-OE2 3.17Å; R59-E80 PolarHBondContact N-O 3.06Å; R59-E80 VanDerWaalsContact N-O 3.13Å; R59-E80 IonicContact NE-OE2 3.07Å; R59-E80 PolarHBondContact NE-OE2 2.94Å; R59-E80 IonicContact NH2-OE1 3.26Å; R59-E80 IonicContact NH2-OE2 2.7Å; R59-E80 PolarHBondContact NH2-OE2 2.96Å; E80-K104 VanDerWaalsContact CA-O 3.26Å; E80-K104 WeakPolarHBondContact CA-O 3.41Å; E80-K104 HydrophobicContact CG-CB 3.87Å; E80-K104 HydrophobicContact CG-CD 3.51Å; E80-K104 HydrophobicContact CG-CG 4.38Å; E80-K104 PolarHBondContact N-O 3.29Å; E80-K104 VanDerWaalsContact N-O 3.15Å; E80-K104 VanDerWaalsContact OE1-CD 3.22Å; E80-K104 WeakPolarHBondContact OE1-CD 3.49Å; E80-K104 IonicContact OE1-NZ 2.69Å; E80-K104 PolarHBondContact OE1-NZ 3.28Å
81	N	96.8	Very high	95.4	Very high	10 Å²	10	41 Å²	41	5%	0.053	21%	0.21	C	C	.	.	S	Bend	trans	-133.6	-175.8	177.3	-78.5	-63.2	0	0	0	110.6	C57 Q60 N61 L62 L78 Q79 I83 K104 N105	C57-N81 PolarHBondContact O-ND2 2.74Å; Q60-N81 WeakPolarHBondContact CA-OD1 3.18Å; Q60-N81 PolarHBondContact N-OD1 2.82Å; N61-N81 PolarHBondContact N-OD1 3.13Å; L62-N81 HydrophobicContact CB-CB 4.17Å; L62-N81 PolarHBondContact N-OD1 3.06Å; L78-N81 PolarHBondContact O-ND2 3.02Å; Q79-N81 PolarHBondContact O-ND2 3.12Å; N81-I83 HydrophobicContact CB-CG1 4.34Å; N81-K104 PolarHBondContact N-O 2.82Å; N81-N105 VanDerWaalsContact CB-OD1 3.23Å; N81-N105 WeakPolarHBondContact CB-OD1 3.31Å; N81-N105 WeakPolarHBondContact O-CA 3.32Å; N81-N105 PolarHBondContact O-OD1 3.33Å
82	S	97.4	Very high	95.4	Very high	28 Å²	28	43.4 Å²	43.4	20%	0.196	22%	0.215	C	C	.	.			trans	-109.3	24.4	-175.5	-69.8	0	0	0	0	113.3	L62 Q84 Q106	L62-S82 CarbonylContact O-C 3.14Å; L62-S82 WeakPolarHBondContact O-CA 3.46Å; L62-S82 PolarHBondContact O-N 2.96Å; S82-Q84 PolarHBondContact O-N 2.92Å; S82-Q106 PolarHBondContact OG-NE2 2.93Å
83	I	97.2	Very high	95.4	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.224	C	C	.	.			trans	-66.4	125.4	-175	-55.5	174.3	0	0	0	109.5	L62 E63 V65 L78 N81 N105 Q106 I107	L62-I83 HydrophobicContact CB-CG1 4.44Å; L62-I83 VanDerWaalsContact O-CG1 3.29Å; L62-I83 WeakPolarHBondContact O-CG1 3.26Å; L62-I83 PolarHBondContact O-N 2.9Å; E63-I83 WeakPolarHBondContact O-CA 3.22Å; V65-I83 HydrophobicContact CG2-CD1 4.21Å; L78-I83 HydrophobicContact CB-CD1 4.22Å; L78-I83 HydrophobicContact CD1-CD1 4.32Å; N81-I83 HydrophobicContact CB-CG1 4.34Å; I83-N105 HydrophobicContact CB-CB 4.49Å; I83-N105 VanDerWaalsContact CB-OD1 3.31Å; I83-N105 WeakPolarHBondContact CB-OD1 3.45Å; I83-N105 WeakPolarHBondContact CG1-OD1 3.46Å; I83-N105 PolarHBondContact N-OD1 2.64Å; I83-N105 VanDerWaalsContact N-OD1 3.08Å; I83-Q106 CarbonylContact O-C 3.16Å; I83-Q106 WeakPolarHBondContact O-CA 3.44Å; I83-Q106 PolarHBondContact O-N 2.81Å; I83-I107 HydrophobicContact CB-CG1 4.43Å; I83-I107 HydrophobicContact CG2-CG1 4.31Å; I83-I107 WeakPolarHBondContact O-CA 3.22Å; I83-I107 WeakPolarHBondContact O-CG1 3.45Å; I83-I107 PolarHBondContact O-N 3.05Å
84	Q	96.5	Very high	95.3	Very high	70 Å²	70	46.2 Å²	46.2	33%	0.327	23%	0.225	S	C	.	.			trans	-105.6	-30.4	-175.3	-70.8	-176.1	76.4	0	0	114.7	S82 Q106 I107 R108	S82-Q84 PolarHBondContact O-N 2.92Å; Q84-Q106 HydrophobicContact CG-CB 3.89Å; Q84-I107 WeakPolarHBondContact O-CA 3.18Å; Q84-R108 PolarHBondContact O-N 2.62Å
85	V	96.8	Very high	95.2	Very high	59 Å²	59	47.9 Å²	47.9	36%	0.358	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	135.1	-177.4	-176.8	0	0	0	0	109.6	Q109	V85-Q109 WeakPolarHBondContact CA-O 3.28Å; V85-Q109 HydrophobicContact CG1-CB 4.38Å; V85-Q109 HydrophobicContact CG2-CB 4.45Å
86	I	96.8	Very high	95.1	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	116.4	166.8	-48.3	-178	0	0	0	108.6	F91 L102 I107 Q109 I110 E111 A114 F115 L126	I86-F91 HydrophobicContact CG2-CE2 3.73Å; I86-F91 HydrophobicContact CG2-CZ 4.32Å; I86-L102 HydrophobicContact CD1-CD1 3.59Å; I86-L102 HydrophobicContact CD1-CD2 4.18Å; I86-L102 HydrophobicContact CD1-CG 4.43Å; I86-I107 HydrophobicContact CD1-CD1 4.07Å; I86-I107 HydrophobicContact CG1-CD1 4.34Å; I86-I107 HydrophobicContact CG1-CG2 4.25Å; I86-Q109 PolarHBondContact N-O 2.93Å; I86-Q109 VanDerWaalsContact N-O 3.08Å; I86-I110 HydrophobicContact CB-CG1 4.3Å; I86-I110 HydrophobicContact CB-CG2 4.32Å; I86-I110 HydrophobicContact CD1-CD1 3.99Å; I86-I110 HydrophobicContact CD1-CG1 4.01Å; I86-I110 HydrophobicContact CG1-CG1 4.15Å; I86-E111 PolarHBondContact O-N 3.21Å; I86-A114 HydrophobicContact CB-CB 4.34Å; I86-A114 HydrophobicContact CG2-CB 3.83Å; I86-F115 HydrophobicContact CD1-CE1 4.28Å; I86-F115 HydrophobicContact CD1-CZ 4.2Å; I86-L126 HydrophobicContact CD1-CD2 4.46Å
87	K	95.2	Very high	95.1	Very high	104 Å²	104	50.3 Å²	50.3	45%	0.452	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-76.6	157	-178.3	-66.1	167.6	176.7	168.1	0	111.6	T90 A114	K87-T90 PolarHBondContact N-OG1 2.9Å; K87-T90 WeakPolarHBondContact O-CB 3.29Å; K87-T90 PolarHBondContact O-N 2.9Å; K87-T90 PolarHBondContact O-OG1 3.11Å; K87-A114 WeakPolarHBondContact O-CA 3.46Å
88	S	94.9	Very high	95.1	Very high	58 Å²	58	53.1 Å²	53.1	41%	0.406	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.2	141.1	169.9	-55.4	0	0	0	0	110.7	T90 E111 I112	S88-T90 PolarHBondContact O-N 2.03Å; S88-E111 WeakPolarHBondContact CB-OE2 3.49Å; S88-E111 PolarHBondContact N-OE2 2.99Å; S88-E111 WeakPolarHBondContact OG-CB 3.46Å; S88-E111 PolarHBondContact OG-OE2 2.8Å; S88-I112 PolarHBondContact OG-O 2.79Å
89	D	92.9	Very high	95.2	Very high	57 Å²	57	55.6 Å²	55.6	31%	0.305	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.9	7.6	177.1	-79.6	-14.8	0	0	0	117.2	F91 K92 G113 N116	D89-F91 PolarHBondContact O-N 3.16Å; D89-K92 HydrophobicContact CB-CB 4.15Å; D89-K92 HydrophobicContact CB-CD 4Å; D89-K92 WeakPolarHBondContact O-CB 3.39Å; D89-K92 PolarHBondContact O-N 3.17Å; D89-K92 IonicContact OD1-NZ 3.87Å; D89-K92 WeakPolarHBondContact OD2-CE 3.36Å; D89-K92 IonicContact OD2-NZ 2.66Å; D89-K92 PolarHBondContact OD2-NZ 3.37Å; D89-G113 PolarHBondContact N-O 2.67Å; D89-N116 WeakPolarHBondContact OD1-CB 3.18Å; D89-N116 PolarHBondContact OD1-ND2 2.72Å
90	T	93.2	Very high	95.2	Very high	53 Å²	53	53.9 Å²	53.9	33%	0.325	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.4	-38.4	-176.3	-63.7	0	0	0	0	113.7	V65 K87 S88	V65-T90 HydrophobicContact CB-CG2 3.71Å; V65-T90 HydrophobicContact CG1-CG2 3.8Å; V65-T90 HydrophobicContact CG2-CG2 3.85Å; K87-T90 PolarHBondContact N-OG1 2.9Å; K87-T90 WeakPolarHBondContact O-CB 3.29Å; K87-T90 PolarHBondContact O-N 2.9Å; K87-T90 PolarHBondContact O-OG1 3.11Å; S88-T90 PolarHBondContact O-N 2.03Å
91	F	93.5	Very high	95.3	Very high	2 Å²	2	52.1 Å²	52.1	1%	0.009	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	12.2	-176.7	-51.2	-72.5	0	0	0	114.4	V65 L76 L78 I86 D89 Q93 L94 L100 L102 A114 F115 L118	V65-F91 HydrophobicContact CG1-CE1 3.79Å; V65-F91 HydrophobicContact CG1-CZ 4.41Å; V65-F91 HydrophobicContact CG2-CE1 4.25Å; V65-F91 HydrophobicContact CG2-CZ 4.03Å; L76-F91 HydrophobicContact CD2-CD1 4.32Å; L76-F91 HydrophobicContact CD2-CE1 4.09Å; L78-F91 HydrophobicContact CD1-CE1 4.46Å; I86-F91 HydrophobicContact CG2-CE2 3.73Å; I86-F91 HydrophobicContact CG2-CZ 4.32Å; D89-F91 PolarHBondContact O-N 3.16Å; F91-Q93 PolarHBondContact O-N 3.08Å; F91-L94 HydrophobicContact CB-CD1 4.31Å; F91-L94 HydrophobicContact CD1-CD1 3.97Å; F91-L94 PolarHBondContact O-N 3.24Å; F91-L100 HydrophobicContact CD2-CD2 4.09Å; F91-L100 HydrophobicContact CE1-CD1 4.14Å; F91-L100 HydrophobicContact CE1-CD2 4.32Å; F91-L100 HydrophobicContact CE2-CD2 3.87Å; F91-L100 HydrophobicContact CG-CD2 4.42Å; F91-L100 HydrophobicContact CZ-CD1 4.25Å; F91-L100 HydrophobicContact CZ-CD2 3.99Å; F91-L102 HydrophobicContact CE2-CD1 4.33Å; F91-L102 HydrophobicContact CZ-CD1 4.11Å; F91-L102 HydrophobicContact CZ-CD2 4.29Å; F91-A114 WeakPolarHBondContact CD2-O 3.5Å; F91-F115 AromaticContact CD2-CD1 3.97Å; F91-F115 HydrophobicContact CD2-CD1 3.97Å; F91-F115 HydrophobicContact CD2-CE1 4.37Å; F91-F115 HydrophobicContact CE2-CD1 4.03Å; F91-F115 AromaticContact CE2-CE1 3.95Å; F91-F115 HydrophobicContact CE2-CE1 3.95Å; F91-L118 HydrophobicContact CB-CD1 3.87Å; F91-L118 HydrophobicContact CB-CD2 3.81Å; F91-L118 HydrophobicContact CB-CG 4.02Å; F91-L118 HydrophobicContact CD2-CD1 4.34Å; F91-L118 HydrophobicContact CG-CD1 4.33Å
92	K	91.1	Very high	95.3	Very high	113 Å²	113	51.6 Å²	51.6	49%	0.491	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53	-25.7	-169.3	-171.6	-179.2	-155.7	162.5	0	116	D89 N116	D89-K92 HydrophobicContact CB-CB 4.15Å; D89-K92 HydrophobicContact CB-CD 4Å; D89-K92 WeakPolarHBondContact O-CB 3.39Å; D89-K92 PolarHBondContact O-N 3.17Å; D89-K92 IonicContact OD1-NZ 3.87Å; D89-K92 WeakPolarHBondContact OD2-CE 3.36Å; D89-K92 IonicContact OD2-NZ 2.66Å; D89-K92 PolarHBondContact OD2-NZ 3.37Å; K92-N116 WeakPolarHBondContact CA-O 3.22Å
93	Q	89.9	Confident	95.4	Very high	137 Å²	137	50.3 Å²	50.3	64%	0.64	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-19.6	-179.9	-55.3	-169.3	21.4	0	0	113.5	V71 F91 R95	V71-Q93 HydrophobicContact CG2-CB 4.39Å; F91-Q93 PolarHBondContact O-N 3.08Å; Q93-R95 PolarHBondContact O-N 2.86Å
94	L	92.9	Very high	95.4	Very high	6 Å²	6	54.8 Å²	54.8	3%	0.031	26%	0.261	C	S	.	.			trans	-83.9	54	-168.8	-51.8	-175.4	0	0	0	112.6	I69 S70 L76 F91 H96 L97 L118	I69-L94 HydrophobicContact CB-CD2 4.2Å; I69-L94 HydrophobicContact CG2-CD1 4.01Å; I69-L94 HydrophobicContact CG2-CD2 3.72Å; S70-L94 WeakPolarHBondContact O-CD2 3.37Å; L76-L94 HydrophobicContact CD2-CD1 3.91Å; F91-L94 HydrophobicContact CB-CD1 4.31Å; F91-L94 HydrophobicContact CD1-CD1 3.97Å; F91-L94 PolarHBondContact O-N 3.24Å; L94-H96 PolarHBondContact O-N 2.85Å; L94-L97 HydrophobicContact CB-CB 4.09Å; L94-L97 HydrophobicContact CB-CD2 4.43Å; L94-L97 HydrophobicContact CD1-CD2 4.24Å; L94-L97 VanDerWaalsContact O-CB 3.24Å; L94-L97 WeakPolarHBondContact O-CB 3.48Å; L94-L97 PolarHBondContact O-N 2.79Å; L94-L118 HydrophobicContact CB-CD2 3.95Å; L94-L118 WeakPolarHBondContact O-CD2 3.25Å
95	R	92.5	Very high	95.4	Very high	170 Å²	170	51.8 Å²	51.8	64%	0.642	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-21.8	-173.8	-63	-178.4	-177	179.7	1.6	114.3	Q93 N120	Q93-R95 PolarHBondContact O-N 2.86Å; R95-N120 PolarHBondContact O-ND2 2.95Å
96	H	95.1	Very high	95.5	Very high	82 Å²	82	52.4 Å²	52.4	38%	0.38	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-1.6	178.7	-58.3	110.8	0	0	0	113.9	V71 T73 R74 L94 E98	V71-H96 PolarHBondContact O-ND1 3.02Å; T73-H96 CarbonylContact O-C 3.38Å; R74-H96 WeakPolarHBondContact CA-O 3.45Å; R74-H96 HydrophobicContact CG-CB 4.32Å; R74-H96 WeakPolarHBondContact CG-O 3.07Å; L94-H96 PolarHBondContact O-N 2.85Å; H96-E98 PolarHBondContact O-N 3.01Å
97	L	96.7	Very high	95.6	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.246	C	C	.	.			trans	-66.7	122.3	-174.5	-162.7	69.4	0	0	0	111.2	T73 L76 L94 L100 L118 N120 L121	T73-L97 HydrophobicContact CG2-CD1 3.93Å; T73-L97 WeakPolarHBondContact O-CA 3.37Å; T73-L97 PolarHBondContact O-N 2.71Å; L76-L97 HydrophobicContact CB-CD1 3.68Å; L94-L97 HydrophobicContact CB-CB 4.09Å; L94-L97 HydrophobicContact CB-CD2 4.43Å; L94-L97 HydrophobicContact CD1-CD2 4.24Å; L94-L97 VanDerWaalsContact O-CB 3.24Å; L94-L97 WeakPolarHBondContact O-CB 3.48Å; L94-L97 PolarHBondContact O-N 2.79Å; L97-L100 HydrophobicContact CD2-CB 3.93Å; L97-L100 HydrophobicContact CD2-CD1 4.25Å; L97-L100 HydrophobicContact CD2-CD2 4.15Å; L97-L100 HydrophobicContact CD2-CG 4.33Å; L97-L118 HydrophobicContact CB-CD2 4Å; L97-L118 HydrophobicContact CD2-CD1 4.26Å; L97-L118 HydrophobicContact CD2-CD2 3.94Å; L97-N120 CarbonylContact O-C 3.56Å; L97-L121 HydrophobicContact CD2-CD1 4.41Å; L97-L121 HydrophobicContact CG-CD1 4.4Å; L97-L121 VanDerWaalsContact O-CA 3.29Å; L97-L121 WeakPolarHBondContact O-CA 3.34Å; L97-L121 PolarHBondContact O-N 2.86Å
98	E	97.3	Very high	95.6	Very high	69 Å²	69	54.2 Å²	54.2	32%	0.322	25%	0.25	S	C	.	.			trans	-104.2	-35.7	178.4	-66	171.9	-144.3	0	0	110.9	R74 H96 N122 T123	R74-E98 WeakPolarHBondContact CD-OE1 3.04Å; R74-E98 IonicContact CZ-OE1 3.6Å; R74-E98 IonicContact NE-OE1 3.8Å; R74-E98 IonicContact NH1-OE1 2.7Å; R74-E98 PolarHBondContact NH1-OE1 3.41Å; R74-E98 PolarHBondContact O-N 2.99Å; H96-E98 PolarHBondContact O-N 3.01Å; E98-N122 WeakPolarHBondContact O-CA 3.39Å; E98-N122 WeakPolarHBondContact O-CB 3.49Å; E98-N122 PolarHBondContact O-N 2.82Å; E98-T123 PolarHBondContact O-N 3.04Å; E98-T123 VanDerWaalsContact O-N 3.12Å
99	I	98.3	Very high	95.7	Very high	53 Å²	53	56.7 Å²	56.7	27%	0.272	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	125.6	-177.2	-57.1	176.6	0	0	0	109.9	R74 Y75 L76 Q101 T123	R74-I99 PolarHBondContact O-N 3.06Å; Y75-I99 HydrophobicContact CD2-CB 3.95Å; Y75-I99 HydrophobicContact CD2-CD1 4.31Å; Y75-I99 HydrophobicContact CD2-CG2 3.85Å; Y75-I99 HydrophobicContact CE2-CG2 4.14Å; L76-I99 PolarHBondContact N-O 3.07Å; I99-Q101 HydrophobicContact CG2-CG 4.04Å; I99-T123 WeakPolarHBondContact CA-O 3.22Å
100	L	98	Very high	95.9	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	114.1	177.2	178.4	51.9	0	0	0	110.2	L76 F91 L97 L102 F115 L118 L121 T123 L124 E125	L76-L100 HydrophobicContact CB-CD1 4.19Å; L76-L100 HydrophobicContact CD2-CD1 3.89Å; L76-L100 HydrophobicContact CG-CD1 4.09Å; F91-L100 HydrophobicContact CD2-CD2 4.09Å; F91-L100 HydrophobicContact CE1-CD1 4.14Å; F91-L100 HydrophobicContact CE1-CD2 4.32Å; F91-L100 HydrophobicContact CE2-CD2 3.87Å; F91-L100 HydrophobicContact CG-CD2 4.42Å; F91-L100 HydrophobicContact CZ-CD1 4.25Å; F91-L100 HydrophobicContact CZ-CD2 3.99Å; L97-L100 HydrophobicContact CD2-CB 3.93Å; L97-L100 HydrophobicContact CD2-CD1 4.25Å; L97-L100 HydrophobicContact CD2-CD2 4.15Å; L97-L100 HydrophobicContact CD2-CG 4.33Å; L100-L102 HydrophobicContact CD1-CD1 4.03Å; L100-L102 HydrophobicContact CD1-CG 4Å; L100-L102 HydrophobicContact CD2-CD1 3.76Å; L100-L102 HydrophobicContact CG-CD1 3.69Å; L100-L102 HydrophobicContact CG-CG 4.08Å; L100-F115 HydrophobicContact CD2-CD1 4.15Å; L100-F115 HydrophobicContact CD2-CE1 4.03Å; L100-L118 HydrophobicContact CD2-CD1 4.22Å; L100-L121 HydrophobicContact CB-CD1 3.72Å; L100-T123 PolarHBondContact N-O 3.31Å; L100-L124 HydrophobicContact CB-CD1 4.13Å; L100-L124 HydrophobicContact CD2-CD1 4Å; L100-L124 HydrophobicContact CG-CD1 4Å; L100-E125 PolarHBondContact O-N 3.02Å
101	Q	98.4	Very high	96	Very high	22 Å²	22	55.2 Å²	55.2	10%	0.103	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	108.4	178.8	-52.5	-176.9	-64.7	0	0	110.7	Y75 L76 N77 L78 Q79 I99 E125	Y75-Q101 VanDerWaalsContact CE2-OE1 3.27Å; Y75-Q101 PolarHBondContact OH-OE1 3.12Å; L76-Q101 PolarHBondContact O-N 3.21Å; N77-Q101 HydrophobicContact CB-CB 4.47Å; N77-Q101 PolarHBondContact ND2-OE1 3.13Å; L78-Q101 PolarHBondContact N-O 2.98Å; Q79-Q101 HydrophobicContact CG-CB 3.88Å; I99-Q101 HydrophobicContact CG2-CG 4.04Å; Q101-E125 HydrophobicContact CG-CG 4.43Å; Q101-E125 VanDerWaalsContact NE2-CD 3.31Å; Q101-E125 PolarHBondContact NE2-OE1 3.34Å; Q101-E125 PolarHBondContact NE2-OE2 3.34Å
102	L	97.8	Very high	96	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	27%	0.27	C	S	.	.			trans	-117.9	13.2	179.9	-75.2	157.4	0	0	0	111.6	L78 I86 F91 L100 N105 I107 F115 L124 E125 L126 N129	L78-L102 HydrophobicContact CB-CD2 4.29Å; L78-L102 HydrophobicContact CD1-CD2 3.78Å; I86-L102 HydrophobicContact CD1-CD1 3.59Å; I86-L102 HydrophobicContact CD1-CD2 4.18Å; I86-L102 HydrophobicContact CD1-CG 4.43Å; F91-L102 HydrophobicContact CE2-CD1 4.33Å; F91-L102 HydrophobicContact CZ-CD1 4.11Å; F91-L102 HydrophobicContact CZ-CD2 4.29Å; L100-L102 HydrophobicContact CD1-CD1 4.03Å; L100-L102 HydrophobicContact CD1-CG 4Å; L100-L102 HydrophobicContact CD2-CD1 3.76Å; L100-L102 HydrophobicContact CG-CD1 3.69Å; L100-L102 HydrophobicContact CG-CG 4.08Å; L102-N105 PolarHBondContact O-ND2 2.78Å; L102-I107 HydrophobicContact CB-CD1 4.01Å; L102-I107 HydrophobicContact CD2-CD1 4.38Å; L102-F115 HydrophobicContact CD1-CE1 4.04Å; L102-L124 HydrophobicContact CD1-CD1 4.26Å; L102-E125 CarbonylContact C-O 3.42Å; L102-E125 WeakPolarHBondContact CA-O 3.45Å; L102-E125 WeakPolarHBondContact CB-O 3.41Å; L102-E125 PolarHBondContact N-O 3.06Å; L102-L126 HydrophobicContact CB-CD2 3.84Å; L102-L126 HydrophobicContact CD1-CD2 4.07Å; L102-N129 PolarHBondContact O-ND2 3.28Å
103	S	97.8	Very high	96.1	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	25%	0.25	C	C	.	.			trans	-70.8	161.9	-177.6	27.7	0	0	0	0	113.1	Q79 N105 E125 F127	Q79-S103 VanDerWaalsContact CA-O 3.3Å; Q79-S103 WeakPolarHBondContact CA-O 3.35Å; Q79-S103 WeakPolarHBondContact CG-OG 3.32Å; Q79-S103 PolarHBondContact NE2-OG 3.3Å; Q79-S103 VanDerWaalsContact NE2-OG 3.12Å; S103-N105 VanDerWaalsContact C-N 3.35Å; S103-N105 PolarHBondContact O-N 2.84Å; S103-N105 PolarHBondContact O-ND2 3.37Å; S103-E125 PolarHBondContact N-O 3.24Å; S103-E125 PolarHBondContact OG-OE2 2.96Å; S103-F127 CarbonylContact C-O 3.56Å; S103-F127 WeakPolarHBondContact CA-O 3.33Å; S103-F127 VanDerWaalsContact CB-O 3.24Å; S103-F127 WeakPolarHBondContact CB-O 3.38Å; S103-F127 WeakPolarHBondContact OG-CZ 3.43Å
104	K	97.6	Very high	96.4	Very high	94 Å²	94	48.8 Å²	48.8	41%	0.409	22%	0.219	S	C	.	.	S	Bend	trans	50.7	52.2	-176	-62.7	-176.7	-177.4	-175.6	0	112.6	E80 N81 F127 D128	E80-K104 VanDerWaalsContact CA-O 3.26Å; E80-K104 WeakPolarHBondContact CA-O 3.41Å; E80-K104 HydrophobicContact CG-CB 3.87Å; E80-K104 HydrophobicContact CG-CD 3.51Å; E80-K104 HydrophobicContact CG-CG 4.38Å; E80-K104 PolarHBondContact N-O 3.29Å; E80-K104 VanDerWaalsContact N-O 3.15Å; E80-K104 VanDerWaalsContact OE1-CD 3.22Å; E80-K104 WeakPolarHBondContact OE1-CD 3.49Å; E80-K104 IonicContact OE1-NZ 2.69Å; E80-K104 PolarHBondContact OE1-NZ 3.28Å; N81-K104 PolarHBondContact N-O 2.82Å; K104-F127 PolarHBondContact N-O 3.32Å; K104-D128 WeakPolarHBondContact CA-O 3.42Å; K104-D128 HydrophobicContact CB-CB 4.39Å; K104-D128 HydrophobicContact CG-CB 3.74Å; K104-D128 PolarHBondContact N-O 2.91Å
105	N	97.9	Very high	96.5	Very high	8 Å²	8	48.6 Å²	48.6	4%	0.043	22%	0.218	C	C	.	.	S	Bend	trans	-124.8	-169.7	176.8	-90.4	-90.6	0	0	0	109.7	L78 N81 I83 L102 S103 I107 D128 N129	L78-N105 PolarHBondContact O-ND2 3Å; N81-N105 VanDerWaalsContact CB-OD1 3.23Å; N81-N105 WeakPolarHBondContact CB-OD1 3.31Å; N81-N105 WeakPolarHBondContact O-CA 3.32Å; N81-N105 PolarHBondContact O-OD1 3.33Å; I83-N105 HydrophobicContact CB-CB 4.49Å; I83-N105 VanDerWaalsContact CB-OD1 3.31Å; I83-N105 WeakPolarHBondContact CB-OD1 3.45Å; I83-N105 WeakPolarHBondContact CG1-OD1 3.46Å; I83-N105 PolarHBondContact N-OD1 2.64Å; I83-N105 VanDerWaalsContact N-OD1 3.08Å; L102-N105 PolarHBondContact O-ND2 2.78Å; S103-N105 VanDerWaalsContact C-N 3.35Å; S103-N105 PolarHBondContact O-N 2.84Å; S103-N105 PolarHBondContact O-ND2 3.37Å; N105-I107 HydrophobicContact CB-CD1 4.03Å; N105-I107 HydrophobicContact CB-CG1 3.95Å; N105-D128 PolarHBondContact N-O 2.91Å; N105-N129 WeakPolarHBondContact CA-OD1 3.48Å; N105-N129 WeakPolarHBondContact CB-OD1 3.42Å; N105-N129 PolarHBondContact N-OD1 2.92Å; N105-N129 PolarHBondContact O-OD1 3.06Å
106	Q	97.6	Very high	96.5	Very high	71 Å²	71	43 Å²	43	33%	0.332	20%	0.201	S	C	.	.			trans	-109.2	23.8	179.1	-59.7	-165.6	50.9	0	0	112.2	S82 I83 Q84 R108	S82-Q106 PolarHBondContact OG-NE2 2.93Å; I83-Q106 CarbonylContact O-C 3.16Å; I83-Q106 WeakPolarHBondContact O-CA 3.44Å; I83-Q106 PolarHBondContact O-N 2.81Å; Q84-Q106 HydrophobicContact CG-CB 3.89Å; Q106-R108 PolarHBondContact O-N 2.85Å; Q106-R108 VanDerWaalsContact O-N 3.16Å
107	I	98.2	Very high	96.3	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.199	C	C	.	.			trans	-67.5	116.1	-166.7	-57.2	161.4	0	0	0	109.8	I83 Q84 I86 L102 N105 I110 L126 N129 R130 L131	I83-I107 HydrophobicContact CB-CG1 4.43Å; I83-I107 HydrophobicContact CG2-CG1 4.31Å; I83-I107 WeakPolarHBondContact O-CA 3.22Å; I83-I107 WeakPolarHBondContact O-CG1 3.45Å; I83-I107 PolarHBondContact O-N 3.05Å; Q84-I107 WeakPolarHBondContact O-CA 3.18Å; I86-I107 HydrophobicContact CD1-CD1 4.07Å; I86-I107 HydrophobicContact CG1-CD1 4.34Å; I86-I107 HydrophobicContact CG1-CG2 4.25Å; L102-I107 HydrophobicContact CB-CD1 4.01Å; L102-I107 HydrophobicContact CD2-CD1 4.38Å; N105-I107 HydrophobicContact CB-CD1 4.03Å; N105-I107 HydrophobicContact CB-CG1 3.95Å; I107-I110 HydrophobicContact CG2-CD1 4.13Å; I107-I110 HydrophobicContact CG2-CG1 3.71Å; I107-L126 HydrophobicContact CD1-CD2 4.23Å; I107-N129 HydrophobicContact CB-CB 4.44Å; I107-N129 VanDerWaalsContact CB-OD1 3.31Å; I107-N129 WeakPolarHBondContact CB-OD1 3.44Å; I107-N129 WeakPolarHBondContact CG1-OD1 3.45Å; I107-N129 PolarHBondContact N-OD1 3.24Å; I107-R130 CarbonylContact O-C 3.45Å; I107-R130 VanDerWaalsContact O-CA 3.25Å; I107-R130 WeakPolarHBondContact O-CA 3.45Å; I107-R130 WeakPolarHBondContact O-CB 3.48Å; I107-R130 PolarHBondContact O-N 2.72Å; I107-L131 HydrophobicContact CG2-CD2 3.99Å; I107-L131 PolarHBondContact O-N 3.14Å; I107-L131 VanDerWaalsContact O-N 3.17Å
108	R	96.7	Very high	96.2	Very high	143 Å²	143	41 Å²	41	54%	0.54	20%	0.201	S	C	.	.			trans	-101.6	-31	177.1	-64.2	169.1	-154.8	-176.9	7	111.9	Q84 Q106 R130	Q84-R108 PolarHBondContact O-N 2.62Å; Q106-R108 PolarHBondContact O-N 2.85Å; Q106-R108 VanDerWaalsContact O-N 3.16Å; R108-R130 HydrophobicContact CG-CB 3.65Å
109	Q	96	Very high	96.1	Very high	111 Å²	111	40.7 Å²	40.7	52%	0.519	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	139.7	-174.2	-178.8	174.6	-20.5	0	0	111.2	V85 I86	V85-Q109 WeakPolarHBondContact CA-O 3.28Å; V85-Q109 HydrophobicContact CG1-CB 4.38Å; V85-Q109 HydrophobicContact CG2-CB 4.45Å; I86-Q109 PolarHBondContact N-O 2.93Å; I86-Q109 VanDerWaalsContact N-O 3.08Å
110	I	97.2	Very high	95.9	Very high	18 Å²	18	40.7 Å²	40.7	9%	0.092	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	121.7	172.5	-61	-179.9	0	0	0	106.1	I86 I107 A114 F115 L126 L131 P135 A138	I86-I110 HydrophobicContact CB-CG1 4.3Å; I86-I110 HydrophobicContact CB-CG2 4.32Å; I86-I110 HydrophobicContact CD1-CD1 3.99Å; I86-I110 HydrophobicContact CD1-CG1 4.01Å; I86-I110 HydrophobicContact CG1-CG1 4.15Å; I107-I110 HydrophobicContact CG2-CD1 4.13Å; I107-I110 HydrophobicContact CG2-CG1 3.71Å; I110-A114 HydrophobicContact CG2-CB 3.6Å; I110-F115 HydrophobicContact CD1-CE2 4.45Å; I110-F115 HydrophobicContact CD1-CZ 4.18Å; I110-F115 HydrophobicContact CG2-CE2 3.81Å; I110-F115 HydrophobicContact CG2-CZ 4.07Å; I110-L126 HydrophobicContact CD1-CD1 3.87Å; I110-L126 HydrophobicContact CD1-CD2 3.81Å; I110-L131 HydrophobicContact CD1-CD1 4.3Å; I110-L131 HydrophobicContact CD1-CD2 4.11Å; I110-L131 HydrophobicContact CG1-CD2 4.13Å; I110-P135 HydrophobicContact CB-CB 4.19Å; I110-P135 HydrophobicContact CB-CG 4.47Å; I110-P135 HydrophobicContact CD1-CG 4.28Å; I110-A138 HydrophobicContact CG2-CB 3.62Å
111	E	95.5	Very high	95.9	Very high	61 Å²	61	40.7 Å²	40.7	29%	0.285	21%	0.205	S	C	.	.			trans	-74.8	161.2	-176.3	-69.5	176.6	-161.4	0	0	113.2	I86 S88 G113 A114 A138	I86-E111 PolarHBondContact O-N 3.21Å; S88-E111 WeakPolarHBondContact CB-OE2 3.49Å; S88-E111 PolarHBondContact N-OE2 2.99Å; S88-E111 WeakPolarHBondContact OG-CB 3.46Å; S88-E111 PolarHBondContact OG-OE2 2.8Å; E111-G113 PolarHBondContact O-N 3.06Å; E111-A114 WeakPolarHBondContact O-CB 3.41Å; E111-A114 PolarHBondContact O-N 2.68Å; E111-A138 WeakPolarHBondContact O-CB 3.43Å
112	I	94.7	Very high	95.9	Very high	111 Å²	111	42.1 Å²	42.1	57%	0.569	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62	125.9	174.9	-55.7	173.8	0	0	0	108.5	S88 A114 Q137	S88-I112 PolarHBondContact OG-O 2.79Å; I112-A114 VanDerWaalsContact C-N 3.29Å; I112-A114 PolarHBondContact O-N 3.47Å; I112-Q137 VanDerWaalsContact CD1-OE1 3.26Å; I112-Q137 HydrophobicContact CG1-CB 4.03Å; I112-Q137 HydrophobicContact CG2-CB 4.3Å
113	G	92.9	Very high	95.9	Very high	6 Å²	6	42.6 Å²	42.6	6%	0.062	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.5	17	-176	0	0	0	0	0	115.1	D89 E111 F115 N116	D89-G113 PolarHBondContact N-O 2.67Å; E111-G113 PolarHBondContact O-N 3.06Å; G113-F115 PolarHBondContact O-N 2.73Å; G113-N116 VanDerWaalsContact CA-OD1 3.31Å; G113-N116 WeakPolarHBondContact CA-OD1 3.47Å; G113-N116 WeakPolarHBondContact O-CB 3.31Å; G113-N116 PolarHBondContact O-N 2.71Å; G113-N116 PolarHBondContact O-ND2 2.88Å
114	A	95.5	Very high	96	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-32.8	171.4	0	0	0	0	0	113.3	I86 K87 F91 I110 E111 I112	I86-A114 HydrophobicContact CB-CB 4.34Å; I86-A114 HydrophobicContact CG2-CB 3.83Å; K87-A114 WeakPolarHBondContact O-CA 3.46Å; F91-A114 WeakPolarHBondContact CD2-O 3.5Å; I110-A114 HydrophobicContact CG2-CB 3.6Å; E111-A114 WeakPolarHBondContact O-CB 3.41Å; E111-A114 PolarHBondContact O-N 2.68Å; I112-A114 VanDerWaalsContact C-N 3.29Å; I112-A114 PolarHBondContact O-N 3.47Å
115	F	96	Very high	96	Very high	1 Å²	1	39.2 Å²	39.2	0%	0.004	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	16.3	178	-55.6	-59.2	0	0	0	114	I86 F91 L100 L102 I110 G113 L118 L124 L126 A138 F139 L142	I86-F115 HydrophobicContact CD1-CE1 4.28Å; I86-F115 HydrophobicContact CD1-CZ 4.2Å; F91-F115 AromaticContact CD2-CD1 3.97Å; F91-F115 HydrophobicContact CD2-CD1 3.97Å; F91-F115 HydrophobicContact CD2-CE1 4.37Å; F91-F115 HydrophobicContact CE2-CD1 4.03Å; F91-F115 AromaticContact CE2-CE1 3.95Å; F91-F115 HydrophobicContact CE2-CE1 3.95Å; L100-F115 HydrophobicContact CD2-CD1 4.15Å; L100-F115 HydrophobicContact CD2-CE1 4.03Å; L102-F115 HydrophobicContact CD1-CE1 4.04Å; I110-F115 HydrophobicContact CD1-CE2 4.45Å; I110-F115 HydrophobicContact CD1-CZ 4.18Å; I110-F115 HydrophobicContact CG2-CE2 3.81Å; I110-F115 HydrophobicContact CG2-CZ 4.07Å; G113-F115 PolarHBondContact O-N 2.73Å; F115-L118 HydrophobicContact CB-CD1 4.19Å; F115-L118 HydrophobicContact CD1-CD1 4.27Å; F115-L118 WeakPolarHBondContact O-CB 3.24Å; F115-L118 WeakPolarHBondContact O-CG 3.15Å; F115-L124 HydrophobicContact CD2-CD2 4.33Å; F115-L124 HydrophobicContact CE1-CD1 4.07Å; F115-L124 HydrophobicContact CE1-CD2 4.28Å; F115-L124 HydrophobicContact CE2-CD2 3.93Å; F115-L124 HydrophobicContact CZ-CD1 4.21Å; F115-L124 HydrophobicContact CZ-CD2 3.9Å; F115-L126 HydrophobicContact CZ-CD1 4.27Å; F115-A138 HydrophobicContact CD2-CB 4.08Å; F115-A138 WeakPolarHBondContact CD2-O 3.33Å; F115-A138 HydrophobicContact CE2-CB 4.19Å; F115-F139 HydrophobicContact CD2-CD1 4.34Å; F115-F139 HydrophobicContact CE2-CD1 4.33Å; F115-F139 HydrophobicContact CE2-CE1 4.25Å; F115-L142 HydrophobicContact CB-CD1 4.08Å; F115-L142 HydrophobicContact CB-CD2 4.11Å; F115-L142 HydrophobicContact CB-CG 4.48Å; F115-L142 HydrophobicContact CD2-CD1 4.4Å; F115-L142 HydrophobicContact CG-CD1 4.47Å
116	N	92.5	Very high	96	Very high	54 Å²	54	38.8 Å²	38.8	29%	0.289	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	148.2	173.7	-78.4	-13.2	0	0	0	111.7	D89 K92 G113 L118	D89-N116 WeakPolarHBondContact OD1-CB 3.18Å; D89-N116 PolarHBondContact OD1-ND2 2.72Å; K92-N116 WeakPolarHBondContact CA-O 3.22Å; G113-N116 VanDerWaalsContact CA-OD1 3.31Å; G113-N116 WeakPolarHBondContact CA-OD1 3.47Å; G113-N116 WeakPolarHBondContact O-CB 3.31Å; G113-N116 PolarHBondContact O-N 2.71Å; G113-N116 PolarHBondContact O-ND2 2.88Å; N116-L118 VanDerWaalsContact C-N 3.33Å; N116-L118 PolarHBondContact O-N 2.92Å
117	G	89.3	Confident	96.1	Very high	33 Å²	33	36.9 Å²	36.9	34%	0.34	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.7	11.1	176	0	0	0	0	0	115.5	P119	G117-P119 WeakPolarHBondContact O-CD 3.48Å
118	L	95.3	Very high	96.1	Very high	6 Å²	6	38.5 Å²	38.5	3%	0.031	20%	0.199	C	C	.	.			trans	-106.5	59.3	-179.5	-60.6	-173.2	0	0	0	114.3	F91 L94 L97 L100 F115 N116 N120 L121 L142	F91-L118 HydrophobicContact CB-CD1 3.87Å; F91-L118 HydrophobicContact CB-CD2 3.81Å; F91-L118 HydrophobicContact CB-CG 4.02Å; F91-L118 HydrophobicContact CD2-CD1 4.34Å; F91-L118 HydrophobicContact CG-CD1 4.33Å; L94-L118 HydrophobicContact CB-CD2 3.95Å; L94-L118 WeakPolarHBondContact O-CD2 3.25Å; L97-L118 HydrophobicContact CB-CD2 4Å; L97-L118 HydrophobicContact CD2-CD1 4.26Å; L97-L118 HydrophobicContact CD2-CD2 3.94Å; L100-L118 HydrophobicContact CD2-CD1 4.22Å; F115-L118 HydrophobicContact CB-CD1 4.19Å; F115-L118 HydrophobicContact CD1-CD1 4.27Å; F115-L118 WeakPolarHBondContact O-CB 3.24Å; F115-L118 WeakPolarHBondContact O-CG 3.15Å; N116-L118 VanDerWaalsContact C-N 3.33Å; N116-L118 PolarHBondContact O-N 2.92Å; L118-N120 PolarHBondContact O-N 3.03Å; L118-N120 VanDerWaalsContact O-N 3.11Å; L118-L121 HydrophobicContact CB-CB 4.1Å; L118-L121 HydrophobicContact CD1-CD2 4.03Å; L118-L121 PolarHBondContact O-N 2.85Å; L118-L142 HydrophobicContact CB-CD2 4.18Å
119	P	94.2	Very high	96.1	Very high	62 Å²	62	31.9 Å²	31.9	40%	0.403	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-5.4	-174	34.3	-39.7	0	0	0	114.6	G117 K144	G117-P119 WeakPolarHBondContact O-CD 3.48Å; P119-K144 VanDerWaalsContact O-CD 3.28Å; P119-K144 WeakPolarHBondContact O-CD 3.4Å; P119-K144 WeakPolarHBondContact O-CE 3.16Å; P119-K144 WeakPolarHBondContact O-CG 3.32Å
120	N	95.8	Very high	96.2	Very high	53 Å²	53	33.7 Å²	33.7	28%	0.283	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.2	-0.8	179.2	-72	-56	0	0	0	113.8	R95 L97 L118 N122 K144	R95-N120 PolarHBondContact O-ND2 2.95Å; L97-N120 CarbonylContact O-C 3.56Å; L118-N120 PolarHBondContact O-N 3.03Å; L118-N120 VanDerWaalsContact O-N 3.11Å; N120-N122 PolarHBondContact O-N 3.34Å; N120-K144 PolarHBondContact OD1-NZ 2.95Å
121	L	97.6	Very high	96.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.173	C	C	.	.			trans	-63.6	126.3	-176.4	-170.2	69.3	0	0	0	110.5	L97 L100 L118 L124 L142 K144 L145	L97-L121 HydrophobicContact CD2-CD1 4.41Å; L97-L121 HydrophobicContact CG-CD1 4.4Å; L97-L121 VanDerWaalsContact O-CA 3.29Å; L97-L121 WeakPolarHBondContact O-CA 3.34Å; L97-L121 PolarHBondContact O-N 2.86Å; L100-L121 HydrophobicContact CB-CD1 3.72Å; L118-L121 HydrophobicContact CB-CB 4.1Å; L118-L121 HydrophobicContact CD1-CD2 4.03Å; L118-L121 PolarHBondContact O-N 2.85Å; L121-L124 HydrophobicContact CD2-CB 4.24Å; L121-L124 HydrophobicContact CD2-CD2 4.46Å; L121-L142 HydrophobicContact CD2-CD1 4.46Å; L121-L142 HydrophobicContact CD2-CD2 4.28Å; L121-K144 CarbonylContact O-C 3.58Å; L121-L145 HydrophobicContact CD2-CD1 4.09Å; L121-L145 HydrophobicContact CG-CD1 4Å; L121-L145 VanDerWaalsContact O-CA 3.26Å; L121-L145 WeakPolarHBondContact O-CA 3.48Å; L121-L145 PolarHBondContact O-N 3.21Å; L121-L145 VanDerWaalsContact O-N 3.1Å
122	N	98.1	Very high	96.3	Very high	52 Å²	52	33 Å²	33	28%	0.278	18%	0.177	S	C	.	.			trans	-115.1	-43.1	-173.1	-178.5	28.9	0	0	0	110.4	E98 N120 R146 E147	E98-N122 WeakPolarHBondContact O-CA 3.39Å; E98-N122 WeakPolarHBondContact O-CB 3.49Å; E98-N122 PolarHBondContact O-N 2.82Å; N120-N122 PolarHBondContact O-N 3.34Å; N122-R146 PolarHBondContact O-N 3.35Å; N122-R146 WeakPolarHBondContact OD1-CB 3.41Å; N122-R146 WeakPolarHBondContact OD1-CD 3.39Å; N122-R146 WeakPolarHBondContact OD1-CG 3.41Å; N122-E147 PolarHBondContact O-N 2.82Å
123	T	98.6	Very high	96.4	Very high	11 Å²	11	32.4 Å²	32.4	7%	0.067	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	126.7	179.2	-55	0	0	0	0	110.9	E98 I99 L100 E147	E98-T123 PolarHBondContact O-N 3.04Å; E98-T123 VanDerWaalsContact O-N 3.12Å; I99-T123 WeakPolarHBondContact CA-O 3.22Å; L100-T123 PolarHBondContact N-O 3.31Å; T123-E147 WeakPolarHBondContact CA-O 3.24Å; T123-E147 HydrophobicContact CG2-CB 3.98Å; T123-E147 WeakPolarHBondContact CG2-OE2 3.1Å; T123-E147 PolarHBondContact OG1-OE2 3.45Å
124	L	98.4	Very high	96.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	116.6	176.4	176.7	56.8	0	0	0	110.2	L100 L102 F115 L121 L126 F139 L145 E147 L148 W149	L100-L124 HydrophobicContact CB-CD1 4.13Å; L100-L124 HydrophobicContact CD2-CD1 4Å; L100-L124 HydrophobicContact CG-CD1 4Å; L102-L124 HydrophobicContact CD1-CD1 4.26Å; F115-L124 HydrophobicContact CD2-CD2 4.33Å; F115-L124 HydrophobicContact CE1-CD1 4.07Å; F115-L124 HydrophobicContact CE1-CD2 4.28Å; F115-L124 HydrophobicContact CE2-CD2 3.93Å; F115-L124 HydrophobicContact CZ-CD1 4.21Å; F115-L124 HydrophobicContact CZ-CD2 3.9Å; L121-L124 HydrophobicContact CD2-CB 4.24Å; L121-L124 HydrophobicContact CD2-CD2 4.46Å; L124-L126 HydrophobicContact CD1-CG 4.25Å; L124-L126 HydrophobicContact CD2-CD1 4.08Å; L124-L126 HydrophobicContact CG-CD1 4.16Å; L124-L126 HydrophobicContact CG-CG 4.21Å; L124-F139 HydrophobicContact CD2-CE1 4.23Å; L124-L145 HydrophobicContact CB-CD1 3.79Å; L124-E147 PolarHBondContact N-O 2.98Å; L124-L148 HydrophobicContact CB-CD1 4.27Å; L124-L148 HydrophobicContact CD2-CD1 4.04Å; L124-L148 HydrophobicContact CG-CD1 4.12Å; L124-W149 PolarHBondContact O-N 2.97Å
125	E	98.6	Very high	96.5	Very high	22 Å²	22	33.5 Å²	33.5	10%	0.103	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	119.7	175.4	-64.3	170.9	-154	0	0	111.6	Q79 L100 Q101 L102 S103 F127 W149	Q79-E125 PolarHBondContact NE2-OE2 3.17Å; L100-E125 PolarHBondContact O-N 3.02Å; Q101-E125 HydrophobicContact CG-CG 4.43Å; Q101-E125 VanDerWaalsContact NE2-CD 3.31Å; Q101-E125 PolarHBondContact NE2-OE1 3.34Å; Q101-E125 PolarHBondContact NE2-OE2 3.34Å; L102-E125 CarbonylContact C-O 3.42Å; L102-E125 WeakPolarHBondContact CA-O 3.45Å; L102-E125 WeakPolarHBondContact CB-O 3.41Å; L102-E125 PolarHBondContact N-O 3.06Å; S103-E125 PolarHBondContact N-O 3.24Å; S103-E125 PolarHBondContact OG-OE2 2.96Å; E125-F127 HydrophobicContact CB-CD1 3.96Å; E125-F127 HydrophobicContact CB-CE1 3.9Å; E125-F127 HydrophobicContact CG-CD1 4.11Å; E125-F127 HydrophobicContact CG-CE1 3.75Å; E125-F127 WeakPolarHBondContact OE2-CE1 3.41Å; E125-F127 WeakPolarHBondContact OE2-CZ 3.22Å; E125-W149 HydrophobicContact CG-CB 4.32Å; E125-W149 HydrophobicContact CG-CG 4.18Å
126	L	98.1	Very high	96.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.192	C	C	.	.			trans	-125.1	13.5	175.6	-71.6	169	0	0	0	111.6	I86 L102 I107 I110 F115 L124 N129 L131 F139 W149 L150 N153	I86-L126 HydrophobicContact CD1-CD2 4.46Å; L102-L126 HydrophobicContact CB-CD2 3.84Å; L102-L126 HydrophobicContact CD1-CD2 4.07Å; I107-L126 HydrophobicContact CD1-CD2 4.23Å; I110-L126 HydrophobicContact CD1-CD1 3.87Å; I110-L126 HydrophobicContact CD1-CD2 3.81Å; F115-L126 HydrophobicContact CZ-CD1 4.27Å; L124-L126 HydrophobicContact CD1-CG 4.25Å; L124-L126 HydrophobicContact CD2-CD1 4.08Å; L124-L126 HydrophobicContact CG-CD1 4.16Å; L124-L126 HydrophobicContact CG-CG 4.21Å; L126-N129 WeakPolarHBondContact O-CB 3.29Å; L126-N129 PolarHBondContact O-ND2 3.46Å; L126-L131 HydrophobicContact CB-CD1 4.43Å; L126-F139 HydrophobicContact CD1-CE1 4.49Å; L126-W149 CarbonylContact C-O 3.57Å; L126-W149 WeakPolarHBondContact CA-O 3.33Å; L126-W149 PolarHBondContact N-O 3.3Å; L126-L150 HydrophobicContact CB-CD2 3.85Å; L126-L150 HydrophobicContact CD1-CD2 4.11Å; L126-N153 PolarHBondContact O-ND2 2.93Å
127	F	98.1	Very high	96.4	Very high	31 Å²	31	38.8 Å²	38.8	14%	0.136	21%	0.206	C	C	.	.			trans	-66.9	160.5	-178.8	64.1	-113.1	0	0	0	113.8	S103 K104 E125 N129 W149 R151	S103-F127 CarbonylContact C-O 3.56Å; S103-F127 WeakPolarHBondContact CA-O 3.33Å; S103-F127 VanDerWaalsContact CB-O 3.24Å; S103-F127 WeakPolarHBondContact CB-O 3.38Å; S103-F127 WeakPolarHBondContact OG-CZ 3.43Å; K104-F127 PolarHBondContact N-O 3.32Å; E125-F127 HydrophobicContact CB-CD1 3.96Å; E125-F127 HydrophobicContact CB-CE1 3.9Å; E125-F127 HydrophobicContact CG-CD1 4.11Å; E125-F127 HydrophobicContact CG-CE1 3.75Å; E125-F127 WeakPolarHBondContact OE2-CE1 3.41Å; E125-F127 WeakPolarHBondContact OE2-CZ 3.22Å; F127-N129 PolarHBondContact O-ND2 3Å; F127-W149 HydrophobicContact CD1-CB 3.87Å; F127-W149 PolarHBondContact N-O 3.39Å; F127-W149 VanDerWaalsContact N-O 3.11Å; F127-R151 VanDerWaalsContact CA-O 3.25Å; F127-R151 WeakPolarHBondContact CA-O 3.29Å; F127-R151 HydrophobicContact CB-CG 3.51Å; F127-R151 WeakPolarHBondContact CB-O 3.33Å; F127-R151 HydrophobicContact CG-CG 4.3Å
128	D	98.2	Very high	96.6	Very high	33 Å²	33	37.4 Å²	37.4	18%	0.176	19%	0.191	C	C	.	.	S	Bend	trans	52.7	53.4	-177.5	-58	-40.4	0	0	0	112	K104 N105 R151 N152	K104-D128 WeakPolarHBondContact CA-O 3.42Å; K104-D128 HydrophobicContact CB-CB 4.39Å; K104-D128 HydrophobicContact CG-CB 3.74Å; K104-D128 PolarHBondContact N-O 2.91Å; N105-D128 PolarHBondContact N-O 2.91Å; D128-R151 PolarHBondContact N-O 3.03Å; D128-R151 IonicContact OD1-CZ 3.72Å; D128-R151 IonicContact OD1-NH1 2.69Å; D128-R151 PolarHBondContact OD1-NH1 2.82Å; D128-R151 IonicContact OD1-NH2 2.71Å; D128-R151 IonicContact OD2-CZ 3.47Å; D128-R151 IonicContact OD2-NH1 3.32Å; D128-R151 IonicContact OD2-NH2 3.98Å; D128-R151 PolarHBondContact OD2-NH2 3.01Å; D128-N152 WeakPolarHBondContact OD1-CB 3.3Å; D128-N152 PolarHBondContact OD1-ND2 3.12Å
129	N	98.4	Very high	96.5	Very high	4 Å²	4	37.1 Å²	37.1	2%	0.021	19%	0.19	C	C	.	.	S	Bend	trans	-128	-164.9	-178.9	-92.7	-69.1	0	0	0	111.5	L102 N105 I107 L126 F127 N153 P154	L102-N129 PolarHBondContact O-ND2 3.28Å; N105-N129 WeakPolarHBondContact CA-OD1 3.48Å; N105-N129 WeakPolarHBondContact CB-OD1 3.42Å; N105-N129 PolarHBondContact N-OD1 2.92Å; N105-N129 PolarHBondContact O-OD1 3.06Å; I107-N129 HydrophobicContact CB-CB 4.44Å; I107-N129 VanDerWaalsContact CB-OD1 3.31Å; I107-N129 WeakPolarHBondContact CB-OD1 3.44Å; I107-N129 WeakPolarHBondContact CG1-OD1 3.45Å; I107-N129 PolarHBondContact N-OD1 3.24Å; L126-N129 WeakPolarHBondContact O-CB 3.29Å; L126-N129 PolarHBondContact O-ND2 3.46Å; F127-N129 PolarHBondContact O-ND2 3Å; N129-N153 WeakPolarHBondContact CA-OD1 3.2Å; N129-N153 WeakPolarHBondContact CB-OD1 3.26Å; N129-N153 PolarHBondContact O-OD1 3.01Å; N129-P154 WeakPolarHBondContact O-CD 3.45Å
130	R	97.9	Very high	96.3	Very high	150 Å²	150	36.2 Å²	36.2	57%	0.566	18%	0.181	S	C	*	.			trans	-120.7	24.7	-174.3	-56.4	-60.6	-174.4	-175.6	2.8	113.2	I107 R108 T132 N153	I107-R130 CarbonylContact O-C 3.45Å; I107-R130 VanDerWaalsContact O-CA 3.25Å; I107-R130 WeakPolarHBondContact O-CA 3.45Å; I107-R130 WeakPolarHBondContact O-CB 3.48Å; I107-R130 PolarHBondContact O-N 2.72Å; R108-R130 HydrophobicContact CG-CB 3.65Å; R130-T132 PolarHBondContact O-N 3.38Å; R130-N153 PolarHBondContact N-OD1 2.98Å
131	L	97.8	Very high	95.6	Very high	5 Å²	5	42.2 Å²	42.2	3%	0.026	20%	0.201	C	C	.	.			trans	-70.8	122.2	178.8	-59.9	173.5	0	0	0	110.8	I107 I110 L126 L150 N153 P154 I155	I107-L131 HydrophobicContact CG2-CD2 3.99Å; I107-L131 PolarHBondContact O-N 3.14Å; I107-L131 VanDerWaalsContact O-N 3.17Å; I110-L131 HydrophobicContact CD1-CD1 4.3Å; I110-L131 HydrophobicContact CD1-CD2 4.11Å; I110-L131 HydrophobicContact CG1-CD2 4.13Å; L126-L131 HydrophobicContact CB-CD1 4.43Å; L131-L150 HydrophobicContact CD1-CD2 3.91Å; L131-N153 HydrophobicContact CB-CB 4.31Å; L131-N153 WeakPolarHBondContact CB-OD1 3.27Å; L131-N153 PolarHBondContact N-OD1 3.11Å; L131-P154 CarbonylContact O-C 3.18Å; L131-P154 VanDerWaalsContact O-C 3.3Å; L131-P154 VanDerWaalsContact O-CD 3.27Å; L131-P154 WeakPolarHBondContact O-CD 3.47Å; L131-P154 WeakPolarHBondContact O-CG 3.37Å; L131-I155 WeakPolarHBondContact O-CG1 3.49Å; L131-I155 PolarHBondContact O-N 2.97Å
132	T	96.8	Very high	95.4	Very high	59 Å²	59	42.4 Å²	42.4	36%	0.362	20%	0.202	S	C	.	.	S	Bend	trans	-89	-17.3	175	52	0	0	0	0	113.7	R130 P154 I155 E156	R130-T132 PolarHBondContact O-N 3.38Å; T132-P154 WeakPolarHBondContact CA-O 3.46Å; T132-P154 HydrophobicContact CG2-CG 4.44Å; T132-I155 WeakPolarHBondContact O-CA 3.42Å; T132-E156 PolarHBondContact O-N 2.81Å
133	L	96.4	Very high	95	Very high	98 Å²	98	44.2 Å²	44.2	51%	0.513	22%	0.219	S	C	.	.	B	Isolated β-bridge	trans	-139.5	153.2	-178.5	-64.9	173.9	0	0	0	110.4	P135	L133-P135 WeakPolarHBondContact O-CD 3.49Å
134	V	96.3	Very high	94.9	Very high	9 Å²	9	48.8 Å²	48.8	6%	0.055	24%	0.238	C	C	.	.			trans	-72.8	121.1	171.4	177	0	0	0	0	109.6	T136 F139 I155 L158 A162 F163	V134-T136 PolarHBondContact O-N 2.86Å; V134-T136 PolarHBondContact O-OG1 3.32Å; V134-F139 HydrophobicContact CG1-CE2 3.81Å; V134-I155 HydrophobicContact CG2-CD1 4.11Å; V134-I155 HydrophobicContact CG2-CG2 4.34Å; V134-L158 HydrophobicContact CG2-CD2 3.5Å; V134-A162 HydrophobicContact CG1-CB 4.3Å; V134-F163 HydrophobicContact CG1-CD1 4.29Å; V134-F163 HydrophobicContact CG1-CE1 3.62Å; V134-F163 HydrophobicContact CG1-CZ 3.9Å; V134-F163 HydrophobicContact CG2-CE1 4.46Å; V134-F163 HydrophobicContact CG2-CZ 4.01Å
135	P	94.6	Very high	94.9	Very high	21 Å²	21	48.8 Å²	48.8	14%	0.136	24%	0.238	C	C	.	.			trans	-79.2	63.5	-175.5	34.1	-36.7	0	0	0	111.6	I110 L133 Q137 A138 F139	I110-P135 HydrophobicContact CB-CB 4.19Å; I110-P135 HydrophobicContact CB-CG 4.47Å; I110-P135 HydrophobicContact CD1-CG 4.28Å; L133-P135 WeakPolarHBondContact O-CD 3.49Å; P135-Q137 PolarHBondContact O-N 3.44Å; P135-A138 HydrophobicContact CB-CB 4.04Å; P135-A138 WeakPolarHBondContact O-CB 3.5Å; P135-A138 PolarHBondContact O-N 3.07Å; P135-F139 HydrophobicContact CG-CE1 4.14Å; P135-F139 HydrophobicContact CG-CE2 4.19Å; P135-F139 HydrophobicContact CG-CZ 3.68Å
136	T	93.9	Very high	94.8	Very high	39 Å²	39	53.5 Å²	53.5	24%	0.239	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.7	-35.3	-173.6	-56.4	0	0	0	0	113.6	V134 A162	V134-T136 PolarHBondContact O-N 2.86Å; V134-T136 PolarHBondContact O-OG1 3.32Å; T136-A162 WeakPolarHBondContact CG2-O 3.41Å; T136-A162 PolarHBondContact OG1-O 2.69Å
137	Q	92.7	Very high	94.9	Very high	127 Å²	127	55.2 Å²	55.2	59%	0.593	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-15.2	-179.6	-68	177.1	-29	0	0	114.3	I112 P135 F139	I112-Q137 VanDerWaalsContact CD1-OE1 3.26Å; I112-Q137 HydrophobicContact CG1-CB 4.03Å; I112-Q137 HydrophobicContact CG2-CB 4.3Å; P135-Q137 PolarHBondContact O-N 3.44Å; Q137-F139 VanDerWaalsContact C-N 3.34Å
138	A	93.4	Very high	94.9	Very high	3 Å²	3	53.8 Å²	53.8	3%	0.025	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-23.2	175.4	0	0	0	0	0	112.3	I110 E111 F115 P135 D140	I110-A138 HydrophobicContact CG2-CB 3.62Å; E111-A138 WeakPolarHBondContact O-CB 3.43Å; F115-A138 HydrophobicContact CD2-CB 4.08Å; F115-A138 WeakPolarHBondContact CD2-O 3.33Å; F115-A138 HydrophobicContact CE2-CB 4.19Å; P135-A138 HydrophobicContact CB-CB 4.04Å; P135-A138 WeakPolarHBondContact O-CB 3.5Å; P135-A138 PolarHBondContact O-N 3.07Å; A138-D140 VanDerWaalsContact C-N 3.29Å; A138-D140 PolarHBondContact O-N 3.35Å
139	F	92.9	Very high	94.9	Very high	1 Å²	1	55 Å²	55	0%	0.004	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84	10.1	-176.9	-52.7	-45.9	0	0	0	114.9	F115 L124 L126 V134 P135 Q137 L142 L148 R165 V166	F115-F139 HydrophobicContact CD2-CD1 4.34Å; F115-F139 HydrophobicContact CE2-CD1 4.33Å; F115-F139 HydrophobicContact CE2-CE1 4.25Å; L124-F139 HydrophobicContact CD2-CE1 4.23Å; L126-F139 HydrophobicContact CD1-CE1 4.49Å; V134-F139 HydrophobicContact CG1-CE2 3.81Å; P135-F139 HydrophobicContact CG-CE1 4.14Å; P135-F139 HydrophobicContact CG-CE2 4.19Å; P135-F139 HydrophobicContact CG-CZ 3.68Å; Q137-F139 VanDerWaalsContact C-N 3.34Å; F139-L142 HydrophobicContact CB-CD1 4.35Å; F139-L142 HydrophobicContact CD1-CD1 4.35Å; F139-L148 HydrophobicContact CE1-CD1 4.22Å; F139-L148 HydrophobicContact CE1-CD2 4.32Å; F139-L148 HydrophobicContact CE2-CD2 4.15Å; F139-L148 HydrophobicContact CZ-CD1 4.31Å; F139-L148 HydrophobicContact CZ-CD2 3.9Å; F139-R165 HydrophobicContact CB-CB 4.45Å; F139-V166 HydrophobicContact CB-CG1 3.94Å; F139-V166 WeakPolarHBondContact O-CG1 3.43Å
140	D	88.9	Confident	94.9	Very high	42 Å²	42	54.8 Å²	54.8	23%	0.225	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	147.3	-176.7	-147.1	14.2	0	0	0	111.4	A138 L142 R165	A138-D140 VanDerWaalsContact C-N 3.29Å; A138-D140 PolarHBondContact O-N 3.35Å; D140-L142 PolarHBondContact O-N 2.65Å; D140-R165 WeakPolarHBondContact OD1-CD 3.43Å; D140-R165 IonicContact OD1-NH1 3.08Å; D140-R165 PolarHBondContact OD1-NH1 2.9Å; D140-R165 IonicContact OD2-NH1 2.72Å
141	Y	81.7	Confident	94.9	Very high	179 Å²	179	50.3 Å²	50.3	70%	0.702	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.9	3.6	-178.2	-47.3	-79.8	0	0	0	117.9	S143	Y141-S143 PolarHBondContact O-N 2.77Å
142	L	93.4	Very high	94.9	Very high	4 Å²	4	52.5 Å²	52.5	2%	0.021	25%	0.253	C	S	.	.			trans	-73.9	50.4	179	-64.8	-176.8	0	0	0	114.1	F115 L118 L121 F139 D140 K144 L145 V166	F115-L142 HydrophobicContact CB-CD1 4.08Å; F115-L142 HydrophobicContact CB-CD2 4.11Å; F115-L142 HydrophobicContact CB-CG 4.48Å; F115-L142 HydrophobicContact CD2-CD1 4.4Å; F115-L142 HydrophobicContact CG-CD1 4.47Å; L118-L142 HydrophobicContact CB-CD2 4.18Å; L121-L142 HydrophobicContact CD2-CD1 4.46Å; L121-L142 HydrophobicContact CD2-CD2 4.28Å; F139-L142 HydrophobicContact CB-CD1 4.35Å; F139-L142 HydrophobicContact CD1-CD1 4.35Å; D140-L142 PolarHBondContact O-N 2.65Å; L142-K144 PolarHBondContact O-N 3.07Å; L142-L145 HydrophobicContact CB-CB 4.16Å; L142-L145 HydrophobicContact CD1-CD2 4.28Å; L142-L145 VanDerWaalsContact O-CB 3.32Å; L142-L145 WeakPolarHBondContact O-CB 3.45Å; L142-L145 PolarHBondContact O-N 2.76Å; L142-V166 HydrophobicContact CB-CG1 3.87Å
143	S	90.6	Very high	95	Very high	90 Å²	90	49.9 Å²	49.9	63%	0.629	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-11.5	-170.5	57.6	0	0	0	0	116.9	Y141 S168	Y141-S143 PolarHBondContact O-N 2.77Å; S143-S168 VanDerWaalsContact O-CB 3.3Å; S143-S168 WeakPolarHBondContact O-CB 3.46Å
144	K	95.8	Very high	95	Very high	108 Å²	108	46.8 Å²	46.8	47%	0.47	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-4.4	173.8	-65.5	-161	-162.5	172.6	0	114.3	P119 N120 L121 L142 R146	P119-K144 VanDerWaalsContact O-CD 3.28Å; P119-K144 WeakPolarHBondContact O-CD 3.4Å; P119-K144 WeakPolarHBondContact O-CE 3.16Å; P119-K144 WeakPolarHBondContact O-CG 3.32Å; N120-K144 PolarHBondContact OD1-NZ 2.95Å; L121-K144 CarbonylContact O-C 3.58Å; L142-K144 PolarHBondContact O-N 3.07Å; K144-R146 WeakPolarHBondContact O-CG 3.41Å; K144-R146 PolarHBondContact O-N 3.11Å
145	L	97.7	Very high	95.1	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.219	C	C	.	.			trans	-64.8	124	-176.4	-170.8	74.2	0	0	0	109.9	L121 L124 L142 L148 V166 S168 L169	L121-L145 HydrophobicContact CD2-CD1 4.09Å; L121-L145 HydrophobicContact CG-CD1 4Å; L121-L145 VanDerWaalsContact O-CA 3.26Å; L121-L145 WeakPolarHBondContact O-CA 3.48Å; L121-L145 PolarHBondContact O-N 3.21Å; L121-L145 VanDerWaalsContact O-N 3.1Å; L124-L145 HydrophobicContact CB-CD1 3.79Å; L142-L145 HydrophobicContact CB-CB 4.16Å; L142-L145 HydrophobicContact CD1-CD2 4.28Å; L142-L145 VanDerWaalsContact O-CB 3.32Å; L142-L145 WeakPolarHBondContact O-CB 3.45Å; L142-L145 PolarHBondContact O-N 2.76Å; L145-L148 HydrophobicContact CD2-CB 4.43Å; L145-V166 HydrophobicContact CD2-CG1 4.1Å; L145-S168 CarbonylContact O-C 3.55Å; L145-S168 VanDerWaalsContact O-CB 3.32Å; L145-S168 WeakPolarHBondContact O-CB 3.22Å; L145-S168 PolarHBondContact O-OG 3.12Å; L145-L169 HydrophobicContact CD2-CD2 3.93Å; L145-L169 HydrophobicContact CG-CD2 3.87Å; L145-L169 PolarHBondContact O-N 2.94Å
146	R	98.3	Very high	95.2	Very high	120 Å²	120	48.4 Å²	48.4	45%	0.453	23%	0.227	S	C	.	.			trans	-111.8	-27.1	179.2	-59.1	-173.9	-172.9	175.8	-0.6	112.5	N122 K144 R170 R171	N122-R146 PolarHBondContact O-N 3.35Å; N122-R146 WeakPolarHBondContact OD1-CB 3.41Å; N122-R146 WeakPolarHBondContact OD1-CD 3.39Å; N122-R146 WeakPolarHBondContact OD1-CG 3.41Å; K144-R146 WeakPolarHBondContact O-CG 3.41Å; K144-R146 PolarHBondContact O-N 3.11Å; R146-R170 HydrophobicContact CB-CB 4.42Å; R146-R170 HydrophobicContact CB-CG 4.4Å; R146-R170 WeakPolarHBondContact O-CA 3.37Å; R146-R170 PolarHBondContact O-N 3.08Å; R146-R171 PolarHBondContact O-N 3.3Å
147	E	98.7	Very high	95.3	Very high	37 Å²	37	48.8 Å²	48.8	17%	0.173	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	122	-172.6	-52.7	-173.6	148.6	0	0	110.6	N122 T123 L124 R171	N122-E147 PolarHBondContact O-N 2.82Å; T123-E147 WeakPolarHBondContact CA-O 3.24Å; T123-E147 HydrophobicContact CG2-CB 3.98Å; T123-E147 WeakPolarHBondContact CG2-OE2 3.1Å; T123-E147 PolarHBondContact OG1-OE2 3.45Å; L124-E147 PolarHBondContact N-O 2.98Å; E147-R171 WeakPolarHBondContact CA-O 3.4Å; E147-R171 HydrophobicContact CB-CB 4.38Å; E147-R171 HydrophobicContact CG-CB 4.1Å; E147-R171 HydrophobicContact CG-CG 4.17Å; E147-R171 WeakPolarHBondContact OE1-CD 3.46Å; E147-R171 IonicContact OE1-CZ 3.82Å; E147-R171 IonicContact OE1-NE 3.05Å; E147-R171 IonicContact OE1-NH1 2.86Å; E147-R171 PolarHBondContact OE1-NH1 3.01Å
148	L	98.6	Very high	95.5	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	117.9	178.1	176	59.4	0	0	0	109.4	L124 F139 L145 L150 F163 L169 R171 L172 D173	L124-L148 HydrophobicContact CB-CD1 4.27Å; L124-L148 HydrophobicContact CD2-CD1 4.04Å; L124-L148 HydrophobicContact CG-CD1 4.12Å; F139-L148 HydrophobicContact CE1-CD1 4.22Å; F139-L148 HydrophobicContact CE1-CD2 4.32Å; F139-L148 HydrophobicContact CE2-CD2 4.15Å; F139-L148 HydrophobicContact CZ-CD1 4.31Å; F139-L148 HydrophobicContact CZ-CD2 3.9Å; L145-L148 HydrophobicContact CD2-CB 4.43Å; L148-L150 HydrophobicContact CD1-CD1 4.35Å; L148-L150 HydrophobicContact CD1-CG 4.19Å; L148-L150 HydrophobicContact CD2-CD1 3.94Å; L148-L150 HydrophobicContact CG-CD1 3.99Å; L148-L150 HydrophobicContact CG-CG 4.16Å; L148-F163 HydrophobicContact CD2-CD1 4.05Å; L148-F163 HydrophobicContact CD2-CE1 4.04Å; L148-L169 HydrophobicContact CB-CD1 4.17Å; L148-L169 HydrophobicContact CB-CD2 3.85Å; L148-L169 HydrophobicContact CD2-CD1 4.21Å; L148-R171 PolarHBondContact N-O 2.91Å; L148-R171 VanDerWaalsContact N-O 3.08Å; L148-L172 HydrophobicContact CB-CD1 4.16Å; L148-L172 HydrophobicContact CD2-CD1 4.06Å; L148-L172 HydrophobicContact CG-CD1 4.12Å; L148-D173 PolarHBondContact O-N 3.35Å
149	W	98.6	Very high	95.7	Very high	59 Å²	59	45.1 Å²	45.1	22%	0.223	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	108.1	-176.4	-49.6	86.8	0	0	0	110.3	L124 E125 L126 F127 D173	L124-W149 PolarHBondContact O-N 2.97Å; E125-W149 HydrophobicContact CG-CB 4.32Å; E125-W149 HydrophobicContact CG-CG 4.18Å; L126-W149 CarbonylContact C-O 3.57Å; L126-W149 WeakPolarHBondContact CA-O 3.33Å; L126-W149 PolarHBondContact N-O 3.3Å; F127-W149 HydrophobicContact CD1-CB 3.87Å; F127-W149 PolarHBondContact N-O 3.39Å; F127-W149 VanDerWaalsContact N-O 3.11Å; W149-D173 HydrophobicContact CD2-CB 4.15Å; W149-D173 HydrophobicContact CE3-CB 3.33Å; W149-D173 HydrophobicContact CZ3-CB 3.81Å
150	L	98.1	Very high	95.9	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.237	C	C	.	.			trans	-116.5	3.4	-176.3	-77.2	165.6	0	0	0	113.1	L126 L131 L148 N153 F163 D173 L174	L126-L150 HydrophobicContact CB-CD2 3.85Å; L126-L150 HydrophobicContact CD1-CD2 4.11Å; L131-L150 HydrophobicContact CD1-CD2 3.91Å; L148-L150 HydrophobicContact CD1-CD1 4.35Å; L148-L150 HydrophobicContact CD1-CG 4.19Å; L148-L150 HydrophobicContact CD2-CD1 3.94Å; L148-L150 HydrophobicContact CG-CD1 3.99Å; L148-L150 HydrophobicContact CG-CG 4.16Å; L150-N153 PolarHBondContact O-ND2 3.08Å; L150-F163 HydrophobicContact CD1-CE1 3.95Å; L150-F163 HydrophobicContact CD1-CZ 4.43Å; L150-D173 WeakPolarHBondContact CA-O 3.45Å; L150-D173 PolarHBondContact N-O 3.3Å; L150-L174 HydrophobicContact CB-CD2 3.89Å; L150-L174 HydrophobicContact CD1-CD2 3.93Å
151	R	97.9	Very high	96.2	Very high	56 Å²	56	51.9 Å²	51.9	21%	0.211	25%	0.249	C	C	.	.			trans	-53.1	153.2	-174.6	69.8	163.1	-168.1	71	18.4	114.5	F127 D128 N153 D173 G175 E176	F127-R151 VanDerWaalsContact CA-O 3.25Å; F127-R151 WeakPolarHBondContact CA-O 3.29Å; F127-R151 HydrophobicContact CB-CG 3.51Å; F127-R151 WeakPolarHBondContact CB-O 3.33Å; F127-R151 HydrophobicContact CG-CG 4.3Å; D128-R151 PolarHBondContact N-O 3.03Å; D128-R151 IonicContact OD1-CZ 3.72Å; D128-R151 IonicContact OD1-NH1 2.69Å; D128-R151 PolarHBondContact OD1-NH1 2.82Å; D128-R151 IonicContact OD1-NH2 2.71Å; D128-R151 IonicContact OD2-CZ 3.47Å; D128-R151 IonicContact OD2-NH1 3.32Å; D128-R151 IonicContact OD2-NH2 3.98Å; D128-R151 PolarHBondContact OD2-NH2 3.01Å; R151-N153 PolarHBondContact O-N 3.41Å; R151-D173 WeakPolarHBondContact CB-OD2 3.38Å; R151-D173 WeakPolarHBondContact CD-OD2 3.46Å; R151-D173 VanDerWaalsContact CG-OD2 3.31Å; R151-D173 WeakPolarHBondContact CG-OD2 3.4Å; R151-D173 PolarHBondContact N-O 2.9Å; R151-G175 CarbonylContact C-O 3.38Å; R151-G175 WeakPolarHBondContact CA-O 3.31Å; R151-G175 WeakPolarHBondContact CB-O 3.23Å; R151-E176 IonicContact NH1-OE1 3.97Å; R151-E176 PolarHBondContact NH1-OE1 2.86Å
152	N	97.8	Very high	96.9	Very high	51 Å²	51	43.3 Å²	43.3	27%	0.273	22%	0.216	S	C	.	.	S	Bend	trans	52.7	40.8	177.4	-164.4	40.8	0	0	0	113.1	D128 G175 E176 K178	D128-N152 WeakPolarHBondContact OD1-CB 3.3Å; D128-N152 PolarHBondContact OD1-ND2 3.12Å; N152-G175 PolarHBondContact N-O 3.02Å; N152-E176 HydrophobicContact CB-CB 3.8Å; N152-K178 PolarHBondContact OD1-NZ 2.79Å
153	N	98.4	Very high	97.1	Very high	3 Å²	3	43.1 Å²	43.1	2%	0.016	22%	0.215	C	C	.	.			trans	-101.7	153.2	163.6	-84.9	-87.2	0	0	0	109.9	L126 N129 R130 L131 L150 R151 I155 L177	L126-N153 PolarHBondContact O-ND2 2.93Å; N129-N153 WeakPolarHBondContact CA-OD1 3.2Å; N129-N153 WeakPolarHBondContact CB-OD1 3.26Å; N129-N153 PolarHBondContact O-OD1 3.01Å; R130-N153 PolarHBondContact N-OD1 2.98Å; L131-N153 HydrophobicContact CB-CB 4.31Å; L131-N153 WeakPolarHBondContact CB-OD1 3.27Å; L131-N153 PolarHBondContact N-OD1 3.11Å; L150-N153 PolarHBondContact O-ND2 3.08Å; R151-N153 PolarHBondContact O-N 3.41Å; N153-I155 HydrophobicContact CB-CD1 4.11Å; N153-I155 HydrophobicContact CB-CG1 3.83Å; N153-I155 PolarHBondContact O-N 3.01Å; N153-L177 HydrophobicContact CB-CD2 4.13Å; N153-L177 WeakPolarHBondContact O-CD2 3.28Å
154	P	97.8	Very high	97.3	Very high	33 Å²	33	42.3 Å²	42.3	21%	0.214	20%	0.204	C	C	.	.			trans	-77.8	43.5	176.4	35.4	-37.9	0	0	0	112.6	N129 L131 T132 E156 K179	N129-P154 WeakPolarHBondContact O-CD 3.45Å; L131-P154 CarbonylContact O-C 3.18Å; L131-P154 VanDerWaalsContact O-C 3.3Å; L131-P154 VanDerWaalsContact O-CD 3.27Å; L131-P154 WeakPolarHBondContact O-CD 3.47Å; L131-P154 WeakPolarHBondContact O-CG 3.37Å; T132-P154 WeakPolarHBondContact CA-O 3.46Å; T132-P154 HydrophobicContact CG2-CG 4.44Å; P154-E156 PolarHBondContact O-N 3Å; P154-K179 HydrophobicContact CB-CD 4.23Å; P154-K179 HydrophobicContact CB-CG 4.22Å
155	I	97.9	Very high	97.2	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.206	C	C	.	.			trans	-69.1	125	-178.1	-61.1	174.5	0	0	0	109.5	L131 T132 V134 N153 T157 L158 L177 K179 L180	L131-I155 WeakPolarHBondContact O-CG1 3.49Å; L131-I155 PolarHBondContact O-N 2.97Å; T132-I155 WeakPolarHBondContact O-CA 3.42Å; V134-I155 HydrophobicContact CG2-CD1 4.11Å; V134-I155 HydrophobicContact CG2-CG2 4.34Å; N153-I155 HydrophobicContact CB-CD1 4.11Å; N153-I155 HydrophobicContact CB-CG1 3.83Å; N153-I155 PolarHBondContact O-N 3.01Å; I155-T157 WeakPolarHBondContact CG2-O 3.42Å; I155-L158 HydrophobicContact CG2-CD2 4.31Å; I155-L177 HydrophobicContact CB-CD1 4.31Å; I155-L177 HydrophobicContact CB-CD2 4.15Å; I155-L177 HydrophobicContact CD1-CD1 4.3Å; I155-L177 HydrophobicContact CD1-CD2 4Å; I155-L177 HydrophobicContact CG1-CD2 4.16Å; I155-K179 CarbonylContact O-C 3.48Å; I155-L180 WeakPolarHBondContact O-CA 3.33Å; I155-L180 PolarHBondContact O-N 3.41Å
156	E	96	Very high	97.1	Very high	65 Å²	65	43.9 Å²	43.9	30%	0.304	21%	0.206	S	C	.	.			trans	-92.4	-33.5	-173.8	-73.6	163.7	-179.2	0	0	112.4	T132 P154 K179 E181	T132-E156 PolarHBondContact O-N 2.81Å; P154-E156 PolarHBondContact O-N 3Å; E156-K179 WeakPolarHBondContact CA-O 3.28Å; E156-K179 HydrophobicContact CG-CB 4.27Å; E156-K179 HydrophobicContact CG-CD 3.65Å; E156-K179 WeakPolarHBondContact OE1-CD 3.39Å; E156-K179 IonicContact OE1-NZ 3.2Å; E156-K179 PolarHBondContact OE1-NZ 2.91Å; E156-E181 PolarHBondContact O-N 2.97Å
157	T	96.3	Very high	96.9	Very high	47 Å²	47	40.9 Å²	40.9	29%	0.288	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	149.4	178.5	64.1	0	0	0	0	113.5	I155 Y182	I155-T157 WeakPolarHBondContact CG2-O 3.42Å; T157-Y182 CarbonylContact C-O 3.29Å; T157-Y182 WeakPolarHBondContact CA-O 3.33Å
158	L	97.3	Very high	96.8	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	100.8	165.8	-65.4	-177.3	0	0	0	109.9	V134 I155 F163 L174 L180 Y182 I183 S184 A187 F188	V134-L158 HydrophobicContact CG2-CD2 3.5Å; I155-L158 HydrophobicContact CG2-CD2 4.31Å; L158-F163 HydrophobicContact CD2-CZ 4.42Å; L158-L174 HydrophobicContact CD1-CD1 4.08Å; L158-L180 HydrophobicContact CD1-CD2 4.34Å; L158-L180 HydrophobicContact CG-CD1 4.05Å; L158-L180 HydrophobicContact CG-CD2 4.49Å; L158-Y182 PolarHBondContact N-O 3.05Å; L158-I183 HydrophobicContact CB-CB 4.48Å; L158-I183 HydrophobicContact CB-CG1 4.39Å; L158-I183 HydrophobicContact CB-CG2 4.19Å; L158-I183 HydrophobicContact CD1-CD1 4.18Å; L158-I183 HydrophobicContact CD1-CG1 4.07Å; L158-I183 HydrophobicContact CD1-CG2 4.25Å; L158-I183 HydrophobicContact CG-CG1 4.44Å; L158-S184 WeakPolarHBondContact O-CB 3.33Å; L158-S184 PolarHBondContact O-N 3.04Å; L158-A187 HydrophobicContact CB-CB 4.12Å; L158-F188 HydrophobicContact CD1-CE1 4.46Å; L158-F188 HydrophobicContact CD1-CZ 4.12Å
159	P	96.6	Very high	96.8	Very high	53 Å²	53	40.3 Å²	40.3	34%	0.344	20%	0.203	S	C	.	.			trans	-73.7	164	-177.7	30.4	-35.7	0	0	0	112.6	Y161 A162 A187	P159-Y161 PolarHBondContact O-N 2.93Å; P159-A162 HydrophobicContact CG-CB 4.14Å; P159-A162 WeakPolarHBondContact O-CB 3.39Å; P159-A162 PolarHBondContact O-N 2.98Å; P159-A187 WeakPolarHBondContact O-CA 3.31Å
160	S	96.9	Very high	96.8	Very high	63 Å²	63	42.6 Å²	42.6	44%	0.441	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	134.7	173.5	-53.2	0	0	0	0	111.7	A162 S184	S160-A162 VanDerWaalsContact C-N 3.26Å; S160-A162 PolarHBondContact O-N 3.19Å; S160-S184 PolarHBondContact OG-OG 3Å
161	Y	96.2	Very high	96.8	Very high	121 Å²	121	48 Å²	48	48%	0.475	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	21.5	178.6	-49.7	-83.4	0	0	0	115.8	P159 F163 N164 A186 V189	P159-Y161 PolarHBondContact O-N 2.93Å; Y161-F163 PolarHBondContact O-N 2.97Å; Y161-N164 HydrophobicContact CD1-CB 4.4Å; Y161-N164 WeakPolarHBondContact O-CB 3.48Å; Y161-N164 PolarHBondContact O-N 2.81Å; Y161-A186 HydrophobicContact CE2-CB 4.45Å; Y161-A186 PolarHBondContact N-O 2.7Å; Y161-V189 HydrophobicContact CD1-CB 3.88Å; Y161-V189 HydrophobicContact CD1-CG1 3.89Å; Y161-V189 HydrophobicContact CE1-CB 3.92Å; Y161-V189 HydrophobicContact CE1-CG1 3.62Å
162	A	96.6	Very high	96.9	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-27.7	-174.9	0	0	0	0	0	115.7	V134 T136 P159 S160 A187	V134-A162 HydrophobicContact CG1-CB 4.3Å; T136-A162 WeakPolarHBondContact CG2-O 3.41Å; T136-A162 PolarHBondContact OG1-O 2.69Å; P159-A162 HydrophobicContact CG-CB 4.14Å; P159-A162 WeakPolarHBondContact O-CB 3.39Å; P159-A162 PolarHBondContact O-N 2.98Å; S160-A162 VanDerWaalsContact C-N 3.26Å; S160-A162 PolarHBondContact O-N 3.19Å; A162-A187 PolarHBondContact N-O 2.97Å
163	F	96.5	Very high	96.9	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119	9	-179.2	-51.7	-78.6	0	0	0	113.9	V134 L148 L150 L158 Y161 R165 V166 L172 L174 F188 L191	V134-F163 HydrophobicContact CG1-CD1 4.29Å; V134-F163 HydrophobicContact CG1-CE1 3.62Å; V134-F163 HydrophobicContact CG1-CZ 3.9Å; V134-F163 HydrophobicContact CG2-CE1 4.46Å; V134-F163 HydrophobicContact CG2-CZ 4.01Å; L148-F163 HydrophobicContact CD2-CD1 4.05Å; L148-F163 HydrophobicContact CD2-CE1 4.04Å; L150-F163 HydrophobicContact CD1-CE1 3.95Å; L150-F163 HydrophobicContact CD1-CZ 4.43Å; L158-F163 HydrophobicContact CD2-CZ 4.42Å; Y161-F163 PolarHBondContact O-N 2.97Å; F163-R165 PolarHBondContact O-N 2.9Å; F163-V166 HydrophobicContact CB-CG2 4.34Å; F163-V166 WeakPolarHBondContact O-CG2 3.32Å; F163-V166 PolarHBondContact O-N 3.26Å; F163-L172 HydrophobicContact CD1-CD1 4.37Å; F163-L172 HydrophobicContact CD1-CD2 4.36Å; F163-L172 HydrophobicContact CD2-CD2 3.98Å; F163-L172 HydrophobicContact CE1-CD1 3.99Å; F163-L172 HydrophobicContact CE1-CD2 4.34Å; F163-L172 HydrophobicContact CE2-CD2 3.96Å; F163-L172 HydrophobicContact CG-CD2 4.19Å; F163-L172 HydrophobicContact CZ-CD1 4.27Å; F163-L172 HydrophobicContact CZ-CD2 4.16Å; F163-L174 HydrophobicContact CE2-CD1 4Å; F163-L174 HydrophobicContact CZ-CD1 3.89Å; F163-L174 HydrophobicContact CZ-CD2 3.99Å; F163-L174 HydrophobicContact CZ-CG 4.47Å; F163-F188 HydrophobicContact CE2-CE1 4.49Å; F163-L191 HydrophobicContact CB-CD1 3.88Å; F163-L191 HydrophobicContact CB-CD2 3.73Å; F163-L191 HydrophobicContact CB-CG 3.97Å; F163-L191 HydrophobicContact CD2-CD1 4.12Å; F163-L191 HydrophobicContact CG-CD1 4.23Å
164	N	94.7	Very high	96.9	Very high	73 Å²	73	43 Å²	43	39%	0.39	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-11.5	-175.6	-168.4	28.9	0	0	0	113.9	Y161 V189 G190	Y161-N164 HydrophobicContact CD1-CB 4.4Å; Y161-N164 WeakPolarHBondContact O-CB 3.48Å; Y161-N164 PolarHBondContact O-N 2.81Å; N164-V189 WeakPolarHBondContact CB-O 3.49Å; N164-G190 WeakPolarHBondContact OD1-CA 3.22Å
165	R	94	Very high	96.9	Very high	140 Å²	140	41.6 Å²	41.6	53%	0.528	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-17	172.9	-62.7	-68.4	166.8	170.1	-7.8	113.8	F139 D140 F163 P167	F139-R165 HydrophobicContact CB-CB 4.45Å; D140-R165 WeakPolarHBondContact OD1-CD 3.43Å; D140-R165 IonicContact OD1-NH1 3.08Å; D140-R165 PolarHBondContact OD1-NH1 2.9Å; D140-R165 IonicContact OD2-NH1 2.72Å; F163-R165 PolarHBondContact O-N 2.9Å; R165-P167 WeakPolarHBondContact O-CD 3.26Å
166	V	95.7	Very high	96.8	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.211	C	C	.	.			trans	-126.2	60.1	-177.2	-73.8	0	0	0	0	112.5	F139 L142 L145 F163 S168 L169	F139-V166 HydrophobicContact CB-CG1 3.94Å; F139-V166 WeakPolarHBondContact O-CG1 3.43Å; L142-V166 HydrophobicContact CB-CG1 3.87Å; L145-V166 HydrophobicContact CD2-CG1 4.1Å; F163-V166 HydrophobicContact CB-CG2 4.34Å; F163-V166 WeakPolarHBondContact O-CG2 3.32Å; F163-V166 PolarHBondContact O-N 3.26Å; V166-S168 PolarHBondContact O-N 2.92Å; V166-L169 HydrophobicContact CB-CD1 4.31Å; V166-L169 HydrophobicContact CB-CG 4.1Å; V166-L169 HydrophobicContact CG2-CD1 3.58Å; V166-L169 HydrophobicContact CG2-CG 3.93Å; V166-L169 WeakPolarHBondContact O-CG 3.33Å; V166-L169 PolarHBondContact O-N 3.35Å; V166-L169 VanDerWaalsContact O-N 3.14Å
167	P	95.3	Very high	96.9	Very high	57 Å²	57	40.8 Å²	40.8	37%	0.37	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-3	177.9	32	-38.2	0	0	0	113.9	R165 L169 G190 N193	R165-P167 WeakPolarHBondContact O-CD 3.26Å; P167-L169 VanDerWaalsContact C-N 3.35Å; P167-G190 WeakPolarHBondContact CB-O 3.39Å; P167-N193 PolarHBondContact O-ND2 2.93Å
168	S	96.4	Very high	96.9	Very high	26 Å²	26	44.9 Å²	44.9	18%	0.182	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-14	172.4	54.3	0	0	0	0	114.1	S143 L145 V166	S143-S168 VanDerWaalsContact O-CB 3.3Å; S143-S168 WeakPolarHBondContact O-CB 3.46Å; L145-S168 CarbonylContact O-C 3.55Å; L145-S168 VanDerWaalsContact O-CB 3.32Å; L145-S168 WeakPolarHBondContact O-CB 3.22Å; L145-S168 PolarHBondContact O-OG 3.12Å; V166-S168 PolarHBondContact O-N 2.92Å
169	L	97.9	Very high	96.8	Very high	0 Å²	0	50 Å²	50	0%	0	23%	0.232	C	C	.	.			trans	-57.8	143	-177.3	-79.4	-179.2	0	0	0	112.5	L145 L148 V166 P167 L191 N193 L194	L145-L169 HydrophobicContact CD2-CD2 3.93Å; L145-L169 HydrophobicContact CG-CD2 3.87Å; L145-L169 PolarHBondContact O-N 2.94Å; L148-L169 HydrophobicContact CB-CD1 4.17Å; L148-L169 HydrophobicContact CB-CD2 3.85Å; L148-L169 HydrophobicContact CD2-CD1 4.21Å; V166-L169 HydrophobicContact CB-CD1 4.31Å; V166-L169 HydrophobicContact CB-CG 4.1Å; V166-L169 HydrophobicContact CG2-CD1 3.58Å; V166-L169 HydrophobicContact CG2-CG 3.93Å; V166-L169 WeakPolarHBondContact O-CG 3.33Å; V166-L169 PolarHBondContact O-N 3.35Å; V166-L169 VanDerWaalsContact O-N 3.14Å; P167-L169 VanDerWaalsContact C-N 3.35Å; L169-L191 HydrophobicContact CB-CD2 4.09Å; L169-L191 HydrophobicContact CD1-CD2 4.02Å; L169-N193 CarbonylContact O-C 3.57Å; L169-L194 HydrophobicContact CB-CD1 4.07Å; L169-L194 PolarHBondContact O-N 3.33Å
170	R	98.3	Very high	96.8	Very high	106 Å²	106	48.3 Å²	48.3	40%	0.4	22%	0.221	S	C	.	.	S	Bend	trans	-123.4	-31.4	176.3	-62.8	-170	179	-154.2	-3.2	112.3	R146 R195 Y196	R146-R170 HydrophobicContact CB-CB 4.42Å; R146-R170 HydrophobicContact CB-CG 4.4Å; R146-R170 WeakPolarHBondContact O-CA 3.37Å; R146-R170 PolarHBondContact O-N 3.08Å; R170-R195 WeakPolarHBondContact O-CA 3.14Å; R170-R195 PolarHBondContact O-N 2.91Å; R170-Y196 PolarHBondContact O-N 3.39Å
171	R	98.8	Very high	96.6	Very high	113 Å²	113	53.6 Å²	53.6	43%	0.426	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	129.2	174.1	-52.2	-160.8	162.7	98.5	0.2	109.9	R146 E147 L148 Y196	R146-R171 PolarHBondContact O-N 3.3Å; E147-R171 WeakPolarHBondContact CA-O 3.4Å; E147-R171 HydrophobicContact CB-CB 4.38Å; E147-R171 HydrophobicContact CG-CB 4.1Å; E147-R171 HydrophobicContact CG-CG 4.17Å; E147-R171 WeakPolarHBondContact OE1-CD 3.46Å; E147-R171 IonicContact OE1-CZ 3.82Å; E147-R171 IonicContact OE1-NE 3.05Å; E147-R171 IonicContact OE1-NH1 2.86Å; E147-R171 PolarHBondContact OE1-NH1 3.01Å; L148-R171 PolarHBondContact N-O 2.91Å; L148-R171 VanDerWaalsContact N-O 3.08Å; R171-Y196 WeakPolarHBondContact CA-O 3.38Å; R171-Y196 HydrophobicContact CB-CD1 4.08Å
172	L	98.7	Very high	96.6	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	116.1	175	176.7	57.2	0	0	0	108.5	L148 F163 L174 L191 L194 Y196 L197 N198	L148-L172 HydrophobicContact CB-CD1 4.16Å; L148-L172 HydrophobicContact CD2-CD1 4.06Å; L148-L172 HydrophobicContact CG-CD1 4.12Å; F163-L172 HydrophobicContact CD1-CD1 4.37Å; F163-L172 HydrophobicContact CD1-CD2 4.36Å; F163-L172 HydrophobicContact CD2-CD2 3.98Å; F163-L172 HydrophobicContact CE1-CD1 3.99Å; F163-L172 HydrophobicContact CE1-CD2 4.34Å; F163-L172 HydrophobicContact CE2-CD2 3.96Å; F163-L172 HydrophobicContact CG-CD2 4.19Å; F163-L172 HydrophobicContact CZ-CD1 4.27Å; F163-L172 HydrophobicContact CZ-CD2 4.16Å; L172-L174 HydrophobicContact CD1-CD1 4.27Å; L172-L174 HydrophobicContact CD1-CD2 4.46Å; L172-L174 HydrophobicContact CD1-CG 4.06Å; L172-L174 HydrophobicContact CD2-CD1 3.85Å; L172-L174 HydrophobicContact CD2-CG 4.49Å; L172-L174 HydrophobicContact CG-CD1 3.9Å; L172-L174 HydrophobicContact CG-CG 4.02Å; L172-L191 HydrophobicContact CD2-CD1 3.72Å; L172-L194 HydrophobicContact CB-CD1 3.71Å; L172-L194 HydrophobicContact CB-CD2 4.25Å; L172-Y196 PolarHBondContact N-O 3.01Å; L172-L197 HydrophobicContact CB-CD1 4.25Å; L172-L197 HydrophobicContact CD2-CD1 4.18Å; L172-L197 HydrophobicContact CG-CD1 4.16Å; L172-L197 WeakPolarHBondContact O-CA 3.35Å; L172-N198 PolarHBondContact O-N 2.89Å
173	D	98.6	Very high	96.6	Very high	7 Å²	7	55.5 Å²	55.5	4%	0.037	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	110.3	176.8	178.9	18.5	0	0	0	110.7	L148 W149 L150 R151 G175 N198	L148-D173 PolarHBondContact O-N 3.35Å; W149-D173 HydrophobicContact CD2-CB 4.15Å; W149-D173 HydrophobicContact CE3-CB 3.33Å; W149-D173 HydrophobicContact CZ3-CB 3.81Å; L150-D173 WeakPolarHBondContact CA-O 3.45Å; L150-D173 PolarHBondContact N-O 3.3Å; R151-D173 WeakPolarHBondContact CB-OD2 3.38Å; R151-D173 WeakPolarHBondContact CD-OD2 3.46Å; R151-D173 VanDerWaalsContact CG-OD2 3.31Å; R151-D173 WeakPolarHBondContact CG-OD2 3.4Å; R151-D173 PolarHBondContact N-O 2.9Å; D173-G175 PolarHBondContact OD1-N 3.05Å; D173-N198 HydrophobicContact CB-CB 4.44Å; D173-N198 WeakPolarHBondContact OD1-CB 3.22Å; D173-N198 PolarHBondContact OD1-ND2 3.36Å
174	L	98.1	Very high	96.6	Very high	0 Å²	0	56 Å²	56	0%	0	25%	0.251	C	S	.	.			trans	-119.1	30.3	176.1	-67.2	165.8	0	0	0	110.1	L150 L158 F163 L172 L177 F188 L197 N198 L199 C202	L150-L174 HydrophobicContact CB-CD2 3.89Å; L150-L174 HydrophobicContact CD1-CD2 3.93Å; L158-L174 HydrophobicContact CD1-CD1 4.08Å; F163-L174 HydrophobicContact CE2-CD1 4Å; F163-L174 HydrophobicContact CZ-CD1 3.89Å; F163-L174 HydrophobicContact CZ-CD2 3.99Å; F163-L174 HydrophobicContact CZ-CG 4.47Å; L172-L174 HydrophobicContact CD1-CD1 4.27Å; L172-L174 HydrophobicContact CD1-CD2 4.46Å; L172-L174 HydrophobicContact CD1-CG 4.06Å; L172-L174 HydrophobicContact CD2-CD1 3.85Å; L172-L174 HydrophobicContact CD2-CG 4.49Å; L172-L174 HydrophobicContact CG-CD1 3.9Å; L172-L174 HydrophobicContact CG-CG 4.02Å; L174-L177 HydrophobicContact CB-CD1 3.9Å; L174-L177 HydrophobicContact CD2-CD1 4.01Å; L174-L177 WeakPolarHBondContact O-CD1 3.17Å; L174-L177 VanDerWaalsContact O-CG 3.29Å; L174-L177 WeakPolarHBondContact O-CG 3.45Å; L174-F188 HydrophobicContact CD1-CE1 4.02Å; L174-L197 HydrophobicContact CD1-CD1 4.48Å; L174-N198 CarbonylContact C-O 3.08Å; L174-N198 VanDerWaalsContact C-O 3.29Å; L174-N198 WeakPolarHBondContact CA-O 3.08Å; L174-N198 WeakPolarHBondContact CB-O 3.39Å; L174-N198 PolarHBondContact N-O 3.37Å; L174-L199 HydrophobicContact CB-CD2 3.89Å; L174-L199 HydrophobicContact CD1-CD2 4.23Å; L174-C202 PolarHBondContact O-SG 3.3Å
175	G	97.2	Very high	96.6	Very high	2 Å²	2	56.9 Å²	56.9	2%	0.021	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	164.7	177.8	0	0	0	0	0	114.2	R151 N152 D173 L177 G200	R151-G175 CarbonylContact C-O 3.38Å; R151-G175 WeakPolarHBondContact CA-O 3.31Å; R151-G175 WeakPolarHBondContact CB-O 3.23Å; N152-G175 PolarHBondContact N-O 3.02Å; D173-G175 PolarHBondContact OD1-N 3.05Å; G175-L177 PolarHBondContact O-N 2.82Å; G175-G200 CarbonylContact C-O 3.27Å; G175-G200 VanDerWaalsContact CA-O 3.27Å; G175-G200 WeakPolarHBondContact CA-O 3.41Å
176	E	97.4	Very high	96.7	Very high	49 Å²	49	51.3 Å²	51.3	23%	0.229	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	21.9	174.6	-63.1	-170.9	-92.1	0	0	115.7	R151 N152 K178 G200 M201	R151-E176 IonicContact NH1-OE1 3.97Å; R151-E176 PolarHBondContact NH1-OE1 2.86Å; N152-E176 HydrophobicContact CB-CB 3.8Å; E176-K178 WeakPolarHBondContact O-CG 3.46Å; E176-K178 PolarHBondContact O-N 3.15Å; E176-K178 IonicContact OE2-NZ 2.74Å; E176-K178 PolarHBondContact OE2-NZ 2.71Å; E176-G200 PolarHBondContact N-O 3.3Å; E176-M201 HydrophobicContact CG-CB 4.16Å; E176-M201 HydrophobicContact CG-SD 4.14Å
177	L	97.4	Very high	96.8	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	24%	0.239	C	C	.	.			trans	-75.8	69.2	176.9	-58.1	179.6	0	0	0	110.5	N153 I155 L174 G175 K179 L180	N153-L177 HydrophobicContact CB-CD2 4.13Å; N153-L177 WeakPolarHBondContact O-CD2 3.28Å; I155-L177 HydrophobicContact CB-CD1 4.31Å; I155-L177 HydrophobicContact CB-CD2 4.15Å; I155-L177 HydrophobicContact CD1-CD1 4.3Å; I155-L177 HydrophobicContact CD1-CD2 4Å; I155-L177 HydrophobicContact CG1-CD2 4.16Å; L174-L177 HydrophobicContact CB-CD1 3.9Å; L174-L177 HydrophobicContact CD2-CD1 4.01Å; L174-L177 WeakPolarHBondContact O-CD1 3.17Å; L174-L177 VanDerWaalsContact O-CG 3.29Å; L174-L177 WeakPolarHBondContact O-CG 3.45Å; G175-L177 PolarHBondContact O-N 2.82Å; L177-K179 PolarHBondContact O-N 3.28Å; L177-L180 HydrophobicContact CB-CB 3.97Å; L177-L180 HydrophobicContact CB-CD2 4.34Å; L177-L180 HydrophobicContact CD1-CD2 4.23Å; L177-L180 VanDerWaalsContact O-CB 3.26Å; L177-L180 WeakPolarHBondContact O-CB 3.45Å; L177-L180 PolarHBondContact O-N 3.13Å
178	K	95.2	Very high	96.9	Very high	133 Å²	133	48.7 Å²	48.7	58%	0.578	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-3.8	-174.8	-65.5	144.3	-169.4	159.8	0	114.8	N152 E176	N152-K178 PolarHBondContact OD1-NZ 2.79Å; E176-K178 WeakPolarHBondContact O-CG 3.46Å; E176-K178 PolarHBondContact O-N 3.15Å; E176-K178 IonicContact OE2-NZ 2.74Å; E176-K178 PolarHBondContact OE2-NZ 2.71Å
179	K	96	Very high	96.9	Very high	106 Å²	106	49.6 Å²	49.6	46%	0.461	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.5	-1.8	178.6	-95.7	-127.3	179.8	-165.5	0	113.5	P154 I155 E156 L177 E181	P154-K179 HydrophobicContact CB-CD 4.23Å; P154-K179 HydrophobicContact CB-CG 4.22Å; I155-K179 CarbonylContact O-C 3.48Å; E156-K179 WeakPolarHBondContact CA-O 3.28Å; E156-K179 HydrophobicContact CG-CB 4.27Å; E156-K179 HydrophobicContact CG-CD 3.65Å; E156-K179 WeakPolarHBondContact OE1-CD 3.39Å; E156-K179 IonicContact OE1-NZ 3.2Å; E156-K179 PolarHBondContact OE1-NZ 2.91Å; L177-K179 PolarHBondContact O-N 3.28Å; K179-E181 PolarHBondContact O-N 3.49Å
180	L	96.6	Very high	96.7	Very high	18 Å²	18	50.3 Å²	50.3	9%	0.094	23%	0.233	C	C	.	.			trans	-74.1	110.4	-170.9	-176.4	57.3	0	0	0	111.3	I155 L158 L177 I183 C202 L204	I155-L180 WeakPolarHBondContact O-CA 3.33Å; I155-L180 PolarHBondContact O-N 3.41Å; L158-L180 HydrophobicContact CD1-CD2 4.34Å; L158-L180 HydrophobicContact CG-CD1 4.05Å; L158-L180 HydrophobicContact CG-CD2 4.49Å; L177-L180 HydrophobicContact CB-CB 3.97Å; L177-L180 HydrophobicContact CB-CD2 4.34Å; L177-L180 HydrophobicContact CD1-CD2 4.23Å; L177-L180 VanDerWaalsContact O-CB 3.26Å; L177-L180 WeakPolarHBondContact O-CB 3.45Å; L177-L180 PolarHBondContact O-N 3.13Å; L180-I183 HydrophobicContact CD1-CG1 4.33Å; L180-I183 HydrophobicContact CD2-CD1 3.92Å; L180-I183 HydrophobicContact CD2-CG1 3.97Å; L180-I183 HydrophobicContact CG-CG1 4.27Å; L180-C202 HydrophobicContact CD2-CB 4.41Å; L180-L204 HydrophobicContact CD2-CD2 4.28Å
181	E	93.3	Very high	96.6	Very high	174 Å²	174	45.3 Å²	45.3	81%	0.813	22%	0.215	S	C	*	.			trans	-96.9	-33.7	-178.7	-67.1	-178.2	-177.4	0	0	112.5	E156 K179	E156-E181 PolarHBondContact O-N 2.97Å; K179-E181 PolarHBondContact O-N 3.49Å
182	Y	94.9	Very high	96.4	Very high	134 Å²	134	43.2 Å²	43.2	53%	0.525	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	136	-174.3	179.6	-104.9	0	0	0	113.7	T157 L158	T157-Y182 CarbonylContact C-O 3.29Å; T157-Y182 WeakPolarHBondContact CA-O 3.33Å; L158-Y182 PolarHBondContact N-O 3.05Å
183	I	97.1	Very high	96.3	Very high	28 Å²	28	45.7 Å²	45.7	14%	0.144	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	125.5	169	-55.4	-178.5	0	0	0	108	L158 L180 A187 F188 L204 P208	L158-I183 HydrophobicContact CB-CB 4.48Å; L158-I183 HydrophobicContact CB-CG1 4.39Å; L158-I183 HydrophobicContact CB-CG2 4.19Å; L158-I183 HydrophobicContact CD1-CD1 4.18Å; L158-I183 HydrophobicContact CD1-CG1 4.07Å; L158-I183 HydrophobicContact CD1-CG2 4.25Å; L158-I183 HydrophobicContact CG-CG1 4.44Å; L180-I183 HydrophobicContact CD1-CG1 4.33Å; L180-I183 HydrophobicContact CD2-CD1 3.92Å; L180-I183 HydrophobicContact CD2-CG1 3.97Å; L180-I183 HydrophobicContact CG-CG1 4.27Å; I183-A187 HydrophobicContact CG2-CB 3.96Å; I183-F188 HydrophobicContact CG2-CE2 4.06Å; I183-F188 HydrophobicContact CG2-CZ 4.45Å; I183-L204 HydrophobicContact CD1-CD1 4.44Å; I183-L204 HydrophobicContact CD1-CD2 3.78Å; I183-P208 HydrophobicContact CB-CB 4.32Å; I183-P208 HydrophobicContact CD1-CB 4.12Å; I183-P208 HydrophobicContact CD1-CG 4.02Å; I183-P208 HydrophobicContact CG2-CB 3.91Å
184	S	96.8	Very high	96.3	Very high	9 Å²	9	45.3 Å²	45.3	6%	0.063	23%	0.226	C	C	.	.			trans	-68.4	139.8	172.2	171.9	0	0	0	0	111.8	L158 S160 A186 A187	L158-S184 WeakPolarHBondContact O-CB 3.33Å; L158-S184 PolarHBondContact O-N 3.04Å; S160-S184 PolarHBondContact OG-OG 3Å; S184-A186 PolarHBondContact O-N 3.14Å; S184-A186 PolarHBondContact OG-N 2.8Å; S184-A186 VanDerWaalsContact OG-N 3.09Å; S184-A187 WeakPolarHBondContact O-CB 3.41Å; S184-A187 PolarHBondContact O-N 3.09Å
185	D	94.6	Very high	96.3	Very high	93 Å²	93	50.3 Å²	50.3	50%	0.497	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-46.6	-29.5	166.4	-84.7	-10.9	0	0	0	113.6	K209	D185-K209 HydrophobicContact CB-CD 4.12Å; D185-K209 WeakPolarHBondContact OD1-CD 3.22Å; D185-K209 WeakPolarHBondContact OD1-CE 3.48Å; D185-K209 IonicContact OD1-NZ 3.21Å; D185-K209 PolarHBondContact OD1-NZ 3.09Å; D185-K209 VanDerWaalsContact OD1-NZ 3.17Å; D185-K209 IonicContact OD2-NZ 2.82Å; D185-K209 PolarHBondContact OD2-NZ 3.12Å
186	A	96.7	Very high	96.3	Very high	22 Å²	22	52.1 Å²	52.1	18%	0.182	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	10.3	-178.6	0	0	0	0	0	113.8	Y161 S184 F188 V189	Y161-A186 HydrophobicContact CE2-CB 4.45Å; Y161-A186 PolarHBondContact N-O 2.7Å; S184-A186 PolarHBondContact O-N 3.14Å; S184-A186 PolarHBondContact OG-N 2.8Å; S184-A186 VanDerWaalsContact OG-N 3.09Å; A186-F188 VanDerWaalsContact C-N 3.35Å; A186-F188 PolarHBondContact O-N 2.68Å; A186-V189 HydrophobicContact CB-CG2 4.07Å; A186-V189 PolarHBondContact O-N 2.93Å
187	A	97.4	Very high	96.4	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-40	-173.3	0	0	0	0	0	113.6	L158 P159 A162 I183 S184	L158-A187 HydrophobicContact CB-CB 4.12Å; P159-A187 WeakPolarHBondContact O-CA 3.31Å; A162-A187 PolarHBondContact N-O 2.97Å; I183-A187 HydrophobicContact CG2-CB 3.96Å; S184-A187 WeakPolarHBondContact O-CB 3.41Å; S184-A187 PolarHBondContact O-N 3.09Å
188	F	97.3	Very high	96.5	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.009	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	4.6	-176.7	-56.1	-65.4	0	0	0	114.3	L158 F163 L174 I183 A186 G190 L191 L197 L199 P208 L210 L213	L158-F188 HydrophobicContact CD1-CE1 4.46Å; L158-F188 HydrophobicContact CD1-CZ 4.12Å; F163-F188 HydrophobicContact CE2-CE1 4.49Å; L174-F188 HydrophobicContact CD1-CE1 4.02Å; I183-F188 HydrophobicContact CG2-CE2 4.06Å; I183-F188 HydrophobicContact CG2-CZ 4.45Å; A186-F188 VanDerWaalsContact C-N 3.35Å; A186-F188 PolarHBondContact O-N 2.68Å; F188-G190 PolarHBondContact O-N 3.42Å; F188-L191 HydrophobicContact CB-CD1 4.4Å; F188-L191 HydrophobicContact CD1-CD1 4.12Å; F188-L191 WeakPolarHBondContact O-CB 3.17Å; F188-L191 PolarHBondContact O-N 3.23Å; F188-L197 HydrophobicContact CE1-CD1 4.3Å; F188-L197 HydrophobicContact CE1-CD2 4.44Å; F188-L199 HydrophobicContact CE2-CD1 4.45Å; F188-L199 HydrophobicContact CZ-CD1 4.01Å; F188-L199 HydrophobicContact CZ-CD2 4.28Å; F188-P208 HydrophobicContact CE2-CB 4.34Å; F188-P208 HydrophobicContact CE2-CG 4.2Å; F188-L210 HydrophobicContact CD2-CD2 3.99Å; F188-L210 HydrophobicContact CE2-CD2 3.95Å; F188-L213 HydrophobicContact CB-CD1 4.41Å; F188-L213 HydrophobicContact CB-CD2 4.11Å; F188-L213 HydrophobicContact CB-CG 4.34Å; F188-L213 HydrophobicContact CG-CD1 4.49Å
189	V	96.4	Very high	96.6	Very high	46 Å²	46	44.5 Å²	44.5	28%	0.279	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	130	-179.3	178.8	0	0	0	0	110.6	Y161 N164 A186 P212	Y161-V189 HydrophobicContact CD1-CB 3.88Å; Y161-V189 HydrophobicContact CD1-CG1 3.89Å; Y161-V189 HydrophobicContact CE1-CB 3.92Å; Y161-V189 HydrophobicContact CE1-CG1 3.62Å; N164-V189 WeakPolarHBondContact CB-O 3.49Å; A186-V189 HydrophobicContact CB-CG2 4.07Å; A186-V189 PolarHBondContact O-N 2.93Å; V189-P212 HydrophobicContact CG2-CB 4.46Å; V189-P212 HydrophobicContact CG2-CG 3.86Å
190	G	93.9	Very high	96.7	Very high	14 Å²	14	39.7 Å²	39.7	14%	0.144	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	106.7	-20.4	-174.2	0	0	0	0	0	114	N164 P167 F188 V192	N164-G190 WeakPolarHBondContact OD1-CA 3.22Å; P167-G190 WeakPolarHBondContact CB-O 3.39Å; F188-G190 PolarHBondContact O-N 3.42Å; G190-V192 PolarHBondContact O-N 3.3Å
191	L	96.3	Very high	96.7	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.005	22%	0.221	C	C	.	.			trans	-80.2	41.9	-176.3	-66	-178.2	0	0	0	114.5	F163 L169 L172 F188 N193 L194 L213	F163-L191 HydrophobicContact CB-CD1 3.88Å; F163-L191 HydrophobicContact CB-CD2 3.73Å; F163-L191 HydrophobicContact CB-CG 3.97Å; F163-L191 HydrophobicContact CD2-CD1 4.12Å; F163-L191 HydrophobicContact CG-CD1 4.23Å; L169-L191 HydrophobicContact CB-CD2 4.09Å; L169-L191 HydrophobicContact CD1-CD2 4.02Å; L172-L191 HydrophobicContact CD2-CD1 3.72Å; F188-L191 HydrophobicContact CB-CD1 4.4Å; F188-L191 HydrophobicContact CD1-CD1 4.12Å; F188-L191 WeakPolarHBondContact O-CB 3.17Å; F188-L191 PolarHBondContact O-N 3.23Å; L191-N193 PolarHBondContact O-N 3.49Å; L191-L194 HydrophobicContact CB-CB 4.19Å; L191-L194 HydrophobicContact CD1-CD2 4.26Å; L191-L194 WeakPolarHBondContact O-CB 3.43Å; L191-L194 PolarHBondContact O-N 2.92Å; L191-L213 HydrophobicContact CB-CD2 3.6Å; L191-L213 HydrophobicContact CD1-CD2 4.49Å
192	V	94.3	Very high	96.8	Very high	69 Å²	69	36.2 Å²	36.2	42%	0.418	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-8.3	-173.2	-58.3	0	0	0	0	115.2	G190 R215	G190-V192 PolarHBondContact O-N 3.3Å; V192-R215 WeakPolarHBondContact O-CD 3.46Å
193	N	96.4	Very high	96.9	Very high	52 Å²	52	30.7 Å²	30.7	28%	0.278	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.8	2.1	177.6	-65.6	-61.1	0	0	0	113.8	P167 L169 L191 R215	P167-N193 PolarHBondContact O-ND2 2.93Å; L169-N193 CarbonylContact O-C 3.57Å; L191-N193 PolarHBondContact O-N 3.49Å; N193-R215 PolarHBondContact OD1-NH1 2.91Å
194	L	98.1	Very high	96.8	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.165	C	C	.	.			trans	-67.5	134.8	-178.8	-160.7	76.3	0	0	0	110.5	L169 L172 L191 L197 L213 R215 L216	L169-L194 HydrophobicContact CB-CD1 4.07Å; L169-L194 PolarHBondContact O-N 3.33Å; L172-L194 HydrophobicContact CB-CD1 3.71Å; L172-L194 HydrophobicContact CB-CD2 4.25Å; L191-L194 HydrophobicContact CB-CB 4.19Å; L191-L194 HydrophobicContact CD1-CD2 4.26Å; L191-L194 WeakPolarHBondContact O-CB 3.43Å; L191-L194 PolarHBondContact O-N 2.92Å; L194-L197 HydrophobicContact CD2-CB 3.98Å; L194-L197 HydrophobicContact CD2-CD1 4.32Å; L194-L213 HydrophobicContact CB-CD2 4.18Å; L194-L213 HydrophobicContact CD2-CD1 4.24Å; L194-L213 HydrophobicContact CD2-CD2 3.95Å; L194-R215 CarbonylContact O-C 3.58Å; L194-L216 HydrophobicContact CD2-CD1 4.17Å; L194-L216 HydrophobicContact CG-CD1 4.35Å; L194-L216 WeakPolarHBondContact O-CA 3.29Å; L194-L216 PolarHBondContact O-N 2.82Å
195	R	98.3	Very high	96.6	Very high	104 Å²	104	37 Å²	37	39%	0.392	19%	0.193	S	C	.	.			trans	-117.3	-33.5	-179.9	-68	177.5	170.8	-127.8	-4.5	112.5	R170 E217 E218	R170-R195 WeakPolarHBondContact O-CA 3.14Å; R170-R195 PolarHBondContact O-N 2.91Å; R195-E217 HydrophobicContact CB-CB 4.33Å; R195-E217 HydrophobicContact CB-CG 4.38Å; R195-E217 VanDerWaalsContact CD-OE1 3.28Å; R195-E217 WeakPolarHBondContact CD-OE1 3.42Å; R195-E217 HydrophobicContact CG-CG 4.36Å; R195-E217 WeakPolarHBondContact CG-OE1 3.38Å; R195-E217 IonicContact CZ-OE1 2.68Å; R195-E217 IonicContact CZ-OE2 2.7Å; R195-E217 IonicContact NE-OE1 3.13Å; R195-E217 PolarHBondContact NE-OE1 3.49Å; R195-E217 VanDerWaalsContact NE-OE1 3.13Å; R195-E217 VanDerWaalsContact NH1-CD 3.31Å; R195-E217 IonicContact NH1-OE1 3.58Å; R195-E217 PolarHBondContact NH1-OE1 3.3Å; R195-E217 IonicContact NH1-OE2 3.98Å; R195-E217 PolarHBondContact NH1-OE2 2.92Å; R195-E217 IonicContact NH2-OE1 3.54Å; R195-E217 WeakPolarHBondContact O-CA 3.36Å; R195-E217 PolarHBondContact O-N 2.93Å; R195-E218 PolarHBondContact O-N 2.99Å
196	Y	98.8	Very high	96.6	Very high	40 Å²	40	36.9 Å²	36.9	16%	0.157	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	127.9	177.8	173.8	-88.8	0	0	0	109.9	R170 R171 L172 N198 E218 W244	R170-Y196 PolarHBondContact O-N 3.39Å; R171-Y196 WeakPolarHBondContact CA-O 3.38Å; R171-Y196 HydrophobicContact CB-CD1 4.08Å; L172-Y196 PolarHBondContact N-O 3.01Å; Y196-N198 HydrophobicContact CE1-CB 3.9Å; Y196-E218 WeakPolarHBondContact CA-O 3.31Å; Y196-E218 HydrophobicContact CD2-CB 3.93Å; Y196-W244 HydrophobicContact CE2-CZ3 4.26Å
197	L	98.7	Very high	96.5	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	126.3	171.9	178.1	59.8	0	0	0	109.8	L172 L174 F188 L194 L199 L210 L213 L216 E218 L219 E220	L172-L197 HydrophobicContact CB-CD1 4.25Å; L172-L197 HydrophobicContact CD2-CD1 4.18Å; L172-L197 HydrophobicContact CG-CD1 4.16Å; L172-L197 WeakPolarHBondContact O-CA 3.35Å; L174-L197 HydrophobicContact CD1-CD1 4.48Å; F188-L197 HydrophobicContact CE1-CD1 4.3Å; F188-L197 HydrophobicContact CE1-CD2 4.44Å; L194-L197 HydrophobicContact CD2-CB 3.98Å; L194-L197 HydrophobicContact CD2-CD1 4.32Å; L197-L199 HydrophobicContact CD1-CG 4.22Å; L197-L199 HydrophobicContact CD2-CD1 3.87Å; L197-L199 HydrophobicContact CD2-CG 4.36Å; L197-L199 HydrophobicContact CG-CD1 4.2Å; L197-L199 HydrophobicContact CG-CG 4.14Å; L197-L210 HydrophobicContact CD2-CD2 3.86Å; L197-L213 HydrophobicContact CD2-CD1 3.62Å; L197-L216 HydrophobicContact CB-CD1 3.75Å; L197-L216 HydrophobicContact CB-CD2 4.45Å; L197-E218 PolarHBondContact N-O 2.75Å; L197-E218 VanDerWaalsContact N-O 3.12Å; L197-L219 HydrophobicContact CB-CD1 4.24Å; L197-L219 HydrophobicContact CD2-CD1 4.22Å; L197-L219 HydrophobicContact CG-CD1 4.28Å; L197-E220 PolarHBondContact O-N 2.96Å
198	N	98.6	Very high	96.4	Very high	22 Å²	22	37.8 Å²	37.8	12%	0.118	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	123.5	169.2	-177.6	15.8	0	0	0	110.9	L172 D173 L174 Y196 G200 E220	L172-N198 PolarHBondContact O-N 2.89Å; D173-N198 HydrophobicContact CB-CB 4.44Å; D173-N198 WeakPolarHBondContact OD1-CB 3.22Å; D173-N198 PolarHBondContact OD1-ND2 3.36Å; L174-N198 CarbonylContact C-O 3.08Å; L174-N198 VanDerWaalsContact C-O 3.29Å; L174-N198 WeakPolarHBondContact CA-O 3.08Å; L174-N198 WeakPolarHBondContact CB-O 3.39Å; L174-N198 PolarHBondContact N-O 3.37Å; Y196-N198 HydrophobicContact CE1-CB 3.9Å; N198-G200 PolarHBondContact OD1-N 3.25Å; N198-E220 HydrophobicContact CB-CB 4.2Å; N198-E220 WeakPolarHBondContact OD1-CG 3.37Å
199	L	97.8	Very high	96.3	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.218	C	C	.	.			trans	-129.3	19.9	172.2	-72.1	170.2	0	0	0	110.8	L174 F188 L197 C202 L204 P208 E220 L221 N224	L174-L199 HydrophobicContact CB-CD2 3.89Å; L174-L199 HydrophobicContact CD1-CD2 4.23Å; F188-L199 HydrophobicContact CE2-CD1 4.45Å; F188-L199 HydrophobicContact CZ-CD1 4.01Å; F188-L199 HydrophobicContact CZ-CD2 4.28Å; L197-L199 HydrophobicContact CD1-CG 4.22Å; L197-L199 HydrophobicContact CD2-CD1 3.87Å; L197-L199 HydrophobicContact CD2-CG 4.36Å; L197-L199 HydrophobicContact CG-CD1 4.2Å; L197-L199 HydrophobicContact CG-CG 4.14Å; L199-C202 PolarHBondContact O-SG 2.79Å; L199-L204 HydrophobicContact CB-CD1 4.21Å; L199-P208 HydrophobicContact CD1-CG 3.98Å; L199-E220 CarbonylContact C-O 3.07Å; L199-E220 PolarHBondContact N-O 2.91Å; L199-L221 HydrophobicContact CB-CD2 3.88Å; L199-L221 HydrophobicContact CD1-CD2 4.43Å; L199-N224 PolarHBondContact O-ND2 3.43Å
200	G	97.6	Very high	96.3	Very high	5 Å²	5	41 Å²	41	5%	0.052	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	153	178	0	0	0	0	0	113	G175 E176 N198 C202 E220 S222	G175-G200 CarbonylContact C-O 3.27Å; G175-G200 VanDerWaalsContact CA-O 3.27Å; G175-G200 WeakPolarHBondContact CA-O 3.41Å; E176-G200 PolarHBondContact N-O 3.3Å; N198-G200 PolarHBondContact OD1-N 3.25Å; G200-C202 PolarHBondContact O-N 3.01Å; G200-C202 VanDerWaalsContact O-N 3.08Å; G200-C202 PolarHBondContact O-SG 2.92Å; G200-C202 VanDerWaalsContact O-SG 3.36Å; G200-E220 PolarHBondContact N-O 2.95Å; G200-S222 CarbonylContact C-O 3.41Å; G200-S222 WeakPolarHBondContact CA-O 3.25Å
201	M	97	Very high	96.2	Very high	115 Å²	115	43.3 Å²	43.3	57%	0.567	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	55	25.7	177.8	-51.6	-174	-167.3	0	0	115.1	E176 S222	E176-M201 HydrophobicContact CG-CB 4.16Å; E176-M201 HydrophobicContact CG-SD 4.14Å; M201-S222 PolarHBondContact N-O 3.22Å
202	C	96.9	Very high	96.2	Very high	4 Å²	4	44.7 Å²	44.7	3%	0.027	23%	0.226	C	C	.	.	S	Bend	trans	-91.5	-5.9	176.8	-65.6	0	0	0	0	112.9	L174 L180 L199 G200 L204 N224	L174-C202 PolarHBondContact O-SG 3.3Å; L180-C202 HydrophobicContact CD2-CB 4.41Å; L199-C202 PolarHBondContact O-SG 2.79Å; G200-C202 PolarHBondContact O-N 3.01Å; G200-C202 VanDerWaalsContact O-N 3.08Å; G200-C202 PolarHBondContact O-SG 2.92Å; G200-C202 VanDerWaalsContact O-SG 3.36Å; C202-L204 VanDerWaalsContact C-N 3.28Å; C202-L204 HydrophobicContact CB-CD1 4.49Å; C202-L204 HydrophobicContact CB-CD2 4.16Å; C202-L204 HydrophobicContact CB-CG 3.93Å; C202-L204 PolarHBondContact O-N 3.31Å; C202-N224 PolarHBondContact N-OD1 2.96Å
203	G	95.4	Very high	96.3	Very high	18 Å²	18	41.4 Å²	41.4	19%	0.186	21%	0.206	C	C	.	.			trans	70.3	20.3	-179.6	0	0	0	0	0	114.4	N224 R225	G203-N224 PolarHBondContact N-OD1 3.33Å; G203-R225 VanDerWaalsContact O-CZ 3.25Å; G203-R225 PolarHBondContact O-NE 2.85Å; G203-R225 PolarHBondContact O-NH2 3.02Å
204	L	95.4	Very high	96.1	Very high	18 Å²	18	42.3 Å²	42.3	9%	0.094	21%	0.214	C	C	.	.			trans	-56.8	140.9	-178.6	-56.9	177	0	0	0	111.6	L180 I183 L199 C202 L221 N224 R225 L226	L180-L204 HydrophobicContact CD2-CD2 4.28Å; I183-L204 HydrophobicContact CD1-CD1 4.44Å; I183-L204 HydrophobicContact CD1-CD2 3.78Å; L199-L204 HydrophobicContact CB-CD1 4.21Å; C202-L204 VanDerWaalsContact C-N 3.28Å; C202-L204 HydrophobicContact CB-CD1 4.49Å; C202-L204 HydrophobicContact CB-CD2 4.16Å; C202-L204 HydrophobicContact CB-CG 3.93Å; C202-L204 PolarHBondContact O-N 3.31Å; L204-L221 HydrophobicContact CD1-CD2 4.29Å; L204-N224 HydrophobicContact CB-CB 4.23Å; L204-N224 PolarHBondContact N-OD1 3.18Å; L204-R225 CarbonylContact O-C 3.1Å; L204-R225 VanDerWaalsContact O-C 3.28Å; L204-R225 WeakPolarHBondContact O-CA 3.17Å; L204-R225 PolarHBondContact O-N 3.08Å; L204-L226 HydrophobicContact CB-CD2 4.12Å
205	K	93.3	Very high	96.1	Very high	151 Å²	151	48.8 Å²	48.8	66%	0.657	24%	0.238	S	C	*	.	S	Bend	trans	-91.3	-36	174.9	-67.3	-175.4	179.4	-179.1	0	113.3	R225 L226	K205-R225 WeakPolarHBondContact CA-O 3.35Å; K205-L226 WeakPolarHBondContact O-CA 3.37Å
206	D	93.3	Very high	96.1	Very high	91 Å²	91	43.9 Å²	43.9	49%	0.487	22%	0.22	S	C	.	.	S	Bend	trans	-131.9	157.9	178.4	-63.5	-92.9	0	0	0	108.8	R230	D206-R230 IonicContact OD1-CZ 3.89Å; D206-R230 IonicContact OD1-NH1 3.87Å; D206-R230 PolarHBondContact OD1-NH1 3.22Å
207	I	95.3	Very high	96.1	Very high	24 Å²	24	44.2 Å²	44.2	12%	0.123	22%	0.223	C	C	.	.			trans	-78.6	125.9	178.4	-62.6	163.9	0	0	0	108.5	L210 L221 L226 S233 F234	I207-L210 HydrophobicContact CG2-CD1 4.4Å; I207-L221 HydrophobicContact CD1-CD1 4.49Å; I207-L221 HydrophobicContact CG1-CD1 4.31Å; I207-L221 HydrophobicContact CG2-CD1 4.32Å; I207-L226 HydrophobicContact CD1-CD1 4.28Å; I207-L226 HydrophobicContact CG1-CD1 3.96Å; I207-L226 HydrophobicContact CG1-CD2 4.02Å; I207-S233 WeakPolarHBondContact CG2-O 3.37Å; I207-F234 HydrophobicContact CD1-CE1 3.91Å; I207-F234 HydrophobicContact CD1-CE2 4.04Å; I207-F234 HydrophobicContact CD1-CZ 3.46Å; I207-F234 VanDerWaalsContact CD1-CZ 3.46Å
208	P	95.4	Very high	96.1	Very high	18 Å²	18	46.1 Å²	46.1	12%	0.117	23%	0.232	C	C	.	.			trans	-69.3	166.3	-179.5	29.7	-36	0	0	0	111.8	I183 F188 L199 L210	I183-P208 HydrophobicContact CB-CB 4.32Å; I183-P208 HydrophobicContact CD1-CB 4.12Å; I183-P208 HydrophobicContact CD1-CG 4.02Å; I183-P208 HydrophobicContact CG2-CB 3.91Å; F188-P208 HydrophobicContact CE2-CB 4.34Å; F188-P208 HydrophobicContact CE2-CG 4.2Å; L199-P208 HydrophobicContact CD1-CG 3.98Å; P208-L210 HydrophobicContact CG-CD2 4.12Å; P208-L210 WeakPolarHBondContact O-CG 3.38Å; P208-L210 PolarHBondContact O-N 3.38Å
209	K	94.6	Very high	96.1	Very high	111 Å²	111	45.1 Å²	45.1	48%	0.483	23%	0.226	S	C	.	.			trans	-70.2	101.3	-179.4	-64.7	-172.4	-171.9	162.7	0	111.8	D185	D185-K209 HydrophobicContact CB-CD 4.12Å; D185-K209 WeakPolarHBondContact OD1-CD 3.22Å; D185-K209 WeakPolarHBondContact OD1-CE 3.48Å; D185-K209 IonicContact OD1-NZ 3.21Å; D185-K209 PolarHBondContact OD1-NZ 3.09Å; D185-K209 VanDerWaalsContact OD1-NZ 3.17Å; D185-K209 IonicContact OD2-NZ 2.82Å; D185-K209 PolarHBondContact OD2-NZ 3.12Å
210	L	95.9	Very high	96.1	Very high	4 Å²	4	47.2 Å²	47.2	2%	0.021	24%	0.236	C	C	.	.			trans	-91.8	1	178.9	-57.2	-175.2	0	0	0	113.8	F188 L197 I207 P208 P212 L213 L219 L237	F188-L210 HydrophobicContact CD2-CD2 3.99Å; F188-L210 HydrophobicContact CE2-CD2 3.95Å; L197-L210 HydrophobicContact CD2-CD2 3.86Å; I207-L210 HydrophobicContact CG2-CD1 4.4Å; P208-L210 HydrophobicContact CG-CD2 4.12Å; P208-L210 WeakPolarHBondContact O-CG 3.38Å; P208-L210 PolarHBondContact O-N 3.38Å; L210-P212 VanDerWaalsContact C-N 3.28Å; L210-P212 WeakPolarHBondContact O-CD 3.32Å; L210-L213 HydrophobicContact CB-CD1 4.31Å; L210-L213 HydrophobicContact CD2-CD1 3.95Å; L210-L213 WeakPolarHBondContact O-CB 3.44Å; L210-L213 PolarHBondContact O-N 3.19Å; L210-L219 HydrophobicContact CD1-CD1 3.95Å; L210-L219 HydrophobicContact CD1-CD2 3.44Å; L210-L219 VanDerWaalsContact CD1-CD2 3.44Å; L210-L219 HydrophobicContact CD1-CG 4.38Å; L210-L237 HydrophobicContact CB-CD1 4.05Å; L210-L237 HydrophobicContact CB-CD2 4.04Å; L210-L237 HydrophobicContact CB-CG 4.4Å; L210-L237 HydrophobicContact CD1-CD1 4.01Å
211	T	93.5	Very high	96.1	Very high	63 Å²	63	47 Å²	47	39%	0.387	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-27.1	-178.3	60.1	0	0	0	0	116.4	L213 Q235	T211-L213 PolarHBondContact O-N 2.99Å; T211-Q235 HydrophobicContact CG2-CB 4.16Å; T211-Q235 WeakPolarHBondContact CG2-O 3.41Å
212	P	94.8	Very high	96.2	Very high	29 Å²	29	42.2 Å²	42.2	19%	0.188	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-16.1	173.8	-19.9	34.5	0	0	0	114.6	V189 L210 V214	V189-P212 HydrophobicContact CG2-CB 4.46Å; V189-P212 HydrophobicContact CG2-CG 3.86Å; L210-P212 VanDerWaalsContact C-N 3.28Å; L210-P212 WeakPolarHBondContact O-CD 3.32Å; P212-V214 VanDerWaalsContact C-N 3.28Å; P212-V214 PolarHBondContact O-N 2.97Å; P212-V214 VanDerWaalsContact O-N 3.12Å
213	L	96.2	Very high	96.2	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.224	C	C	.	.			trans	-90.6	50.5	-169	-56.2	179.3	0	0	0	112.4	F188 L191 L194 L197 L210 T211 R215 L216 L237	F188-L213 HydrophobicContact CB-CD1 4.41Å; F188-L213 HydrophobicContact CB-CD2 4.11Å; F188-L213 HydrophobicContact CB-CG 4.34Å; F188-L213 HydrophobicContact CG-CD1 4.49Å; L191-L213 HydrophobicContact CB-CD2 3.6Å; L191-L213 HydrophobicContact CD1-CD2 4.49Å; L194-L213 HydrophobicContact CB-CD2 4.18Å; L194-L213 HydrophobicContact CD2-CD1 4.24Å; L194-L213 HydrophobicContact CD2-CD2 3.95Å; L197-L213 HydrophobicContact CD2-CD1 3.62Å; L210-L213 HydrophobicContact CB-CD1 4.31Å; L210-L213 HydrophobicContact CD2-CD1 3.95Å; L210-L213 WeakPolarHBondContact O-CB 3.44Å; L210-L213 PolarHBondContact O-N 3.19Å; T211-L213 PolarHBondContact O-N 2.99Å; L213-R215 PolarHBondContact O-N 3.04Å; L213-L216 HydrophobicContact CB-CB 4.13Å; L213-L216 HydrophobicContact CB-CD2 4.48Å; L213-L216 HydrophobicContact CD1-CD2 4.28Å; L213-L216 VanDerWaalsContact O-CB 3.29Å; L213-L216 WeakPolarHBondContact O-CB 3.29Å; L213-L216 PolarHBondContact O-N 3.32Å; L213-L237 HydrophobicContact CB-CD2 4.18Å
214	V	94.2	Very high	96.3	Very high	72 Å²	72	42.6 Å²	42.6	44%	0.436	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-11.3	-172.2	-61.7	0	0	0	0	115.8	P212 S239	P212-V214 VanDerWaalsContact C-N 3.28Å; P212-V214 PolarHBondContact O-N 2.97Å; P212-V214 VanDerWaalsContact O-N 3.12Å; V214-S239 PolarHBondContact O-OG 3.12Å
215	R	96.8	Very high	96.3	Very high	136 Å²	136	48 Å²	48	51%	0.513	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.9	11.1	177.1	-71.5	-171.6	171.4	154.1	-1.1	114.1	V192 N193 L194 L213 E217	V192-R215 WeakPolarHBondContact O-CD 3.46Å; N193-R215 PolarHBondContact OD1-NH1 2.91Å; L194-R215 CarbonylContact O-C 3.58Å; L213-R215 PolarHBondContact O-N 3.04Å; R215-E217 PolarHBondContact O-N 2.95Å
216	L	98.3	Very high	96.4	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	21%	0.205	C	C	.	.			trans	-65.1	125.8	179.4	-161.9	69.4	0	0	0	110	L194 L197 L213 L219 L237 S239 L240	L194-L216 HydrophobicContact CD2-CD1 4.17Å; L194-L216 HydrophobicContact CG-CD1 4.35Å; L194-L216 WeakPolarHBondContact O-CA 3.29Å; L194-L216 PolarHBondContact O-N 2.82Å; L197-L216 HydrophobicContact CB-CD1 3.75Å; L197-L216 HydrophobicContact CB-CD2 4.45Å; L213-L216 HydrophobicContact CB-CB 4.13Å; L213-L216 HydrophobicContact CB-CD2 4.48Å; L213-L216 HydrophobicContact CD1-CD2 4.28Å; L213-L216 VanDerWaalsContact O-CB 3.29Å; L213-L216 WeakPolarHBondContact O-CB 3.29Å; L213-L216 PolarHBondContact O-N 3.32Å; L216-L219 HydrophobicContact CD2-CB 4.01Å; L216-L219 HydrophobicContact CD2-CD1 4.24Å; L216-L219 HydrophobicContact CD2-CD2 4.3Å; L216-L219 HydrophobicContact CD2-CG 4.42Å; L216-L237 HydrophobicContact CB-CD2 4.28Å; L216-L237 HydrophobicContact CD2-CD1 4.42Å; L216-L237 HydrophobicContact CD2-CD2 4.16Å; L216-S239 CarbonylContact O-C 3.28Å; L216-S239 WeakPolarHBondContact O-CB 3.32Å; L216-S239 VanDerWaalsContact O-O 3.12Å; L216-L240 HydrophobicContact CB-CD1 4.41Å; L216-L240 HydrophobicContact CD2-CD1 4.07Å; L216-L240 HydrophobicContact CG-CD1 4Å; L216-L240 WeakPolarHBondContact O-CA 3.22Å; L216-L240 PolarHBondContact O-N 2.86Å; L216-L240 VanDerWaalsContact O-N 3.11Å
217	E	98.3	Very high	96.4	Very high	47 Å²	47	40.8 Å²	40.8	22%	0.22	20%	0.203	C	C	.	.			trans	-105.2	-32.5	-179.1	-72.9	163.1	-156.6	0	0	111	R195 R215 R241 K242	R195-E217 HydrophobicContact CB-CB 4.33Å; R195-E217 HydrophobicContact CB-CG 4.38Å; R195-E217 VanDerWaalsContact CD-OE1 3.28Å; R195-E217 WeakPolarHBondContact CD-OE1 3.42Å; R195-E217 HydrophobicContact CG-CG 4.36Å; R195-E217 WeakPolarHBondContact CG-OE1 3.38Å; R195-E217 IonicContact CZ-OE1 2.68Å; R195-E217 IonicContact CZ-OE2 2.7Å; R195-E217 IonicContact NE-OE1 3.13Å; R195-E217 PolarHBondContact NE-OE1 3.49Å; R195-E217 VanDerWaalsContact NE-OE1 3.13Å; R195-E217 VanDerWaalsContact NH1-CD 3.31Å; R195-E217 IonicContact NH1-OE1 3.58Å; R195-E217 PolarHBondContact NH1-OE1 3.3Å; R195-E217 IonicContact NH1-OE2 3.98Å; R195-E217 PolarHBondContact NH1-OE2 2.92Å; R195-E217 IonicContact NH2-OE1 3.54Å; R195-E217 WeakPolarHBondContact O-CA 3.36Å; R195-E217 PolarHBondContact O-N 2.93Å; R215-E217 PolarHBondContact O-N 2.95Å; E217-R241 WeakPolarHBondContact O-CA 3.29Å; E217-R241 PolarHBondContact O-N 3.25Å; E217-K242 PolarHBondContact O-N 2.91Å
218	E	98.6	Very high	96.4	Very high	40 Å²	40	42.2 Å²	42.2	19%	0.187	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	128.2	-174.9	-59.4	-175.3	148.7	0	0	110.6	R195 Y196 L197 K242 W244	R195-E218 PolarHBondContact O-N 2.99Å; Y196-E218 WeakPolarHBondContact CA-O 3.31Å; Y196-E218 HydrophobicContact CD2-CB 3.93Å; L197-E218 PolarHBondContact N-O 2.75Å; L197-E218 VanDerWaalsContact N-O 3.12Å; E218-K242 HydrophobicContact CG-CB 4.24Å; E218-K242 HydrophobicContact CG-CD 4.08Å; E218-K242 HydrophobicContact CG-CG 4.22Å; E218-K242 WeakPolarHBondContact OE1-CD 3.19Å; E218-K242 WeakPolarHBondContact OE1-CE 3.34Å; E218-K242 IonicContact OE1-NZ 2.68Å; E218-K242 PolarHBondContact OE1-NZ 2.95Å; E218-W244 HydrophobicContact CB-CH2 4.15Å; E218-W244 HydrophobicContact CB-CZ3 3.98Å; E218-W244 HydrophobicContact CG-CH2 4.35Å
219	L	98.6	Very high	96.4	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	118.1	-178.8	176.7	56.1	0	0	0	111	L197 L210 L216 L221 F234 L237 L240 K242 L243 W244	L197-L219 HydrophobicContact CB-CD1 4.24Å; L197-L219 HydrophobicContact CD2-CD1 4.22Å; L197-L219 HydrophobicContact CG-CD1 4.28Å; L210-L219 HydrophobicContact CD1-CD1 3.95Å; L210-L219 HydrophobicContact CD1-CD2 3.44Å; L210-L219 VanDerWaalsContact CD1-CD2 3.44Å; L210-L219 HydrophobicContact CD1-CG 4.38Å; L216-L219 HydrophobicContact CD2-CB 4.01Å; L216-L219 HydrophobicContact CD2-CD1 4.24Å; L216-L219 HydrophobicContact CD2-CD2 4.3Å; L216-L219 HydrophobicContact CD2-CG 4.42Å; L219-L221 HydrophobicContact CD1-CD1 4.24Å; L219-L221 HydrophobicContact CD1-CG 4.02Å; L219-L221 HydrophobicContact CD2-CD1 3.82Å; L219-L221 HydrophobicContact CD2-CG 4.48Å; L219-L221 HydrophobicContact CG-CD1 3.93Å; L219-L221 HydrophobicContact CG-CG 4.06Å; L219-F234 HydrophobicContact CD2-CD1 4.19Å; L219-F234 HydrophobicContact CD2-CE1 4.1Å; L219-L237 HydrophobicContact CD2-CD1 4.06Å; L219-L240 HydrophobicContact CB-CD1 3.7Å; L219-L240 HydrophobicContact CB-CD2 4.32Å; L219-L240 HydrophobicContact CD2-CD2 4.44Å; L219-K242 PolarHBondContact N-O 3.03Å; L219-L243 HydrophobicContact CB-CD1 4.3Å; L219-L243 HydrophobicContact CD2-CD1 3.99Å; L219-L243 HydrophobicContact CG-CD1 4.11Å; L219-W244 PolarHBondContact O-N 3.27Å
220	E	98.5	Very high	96.4	Very high	45 Å²	45	40.6 Å²	40.6	21%	0.21	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	117.6	175.3	178.2	59.6	-78.8	0	0	110.7	L197 N198 L199 G200 S222 W244	L197-E220 PolarHBondContact O-N 2.96Å; N198-E220 HydrophobicContact CB-CB 4.2Å; N198-E220 WeakPolarHBondContact OD1-CG 3.37Å; L199-E220 CarbonylContact C-O 3.07Å; L199-E220 PolarHBondContact N-O 2.91Å; G200-E220 PolarHBondContact N-O 2.95Å; E220-S222 WeakPolarHBondContact OE1-CA 3.41Å; E220-S222 WeakPolarHBondContact OE1-CB 3.41Å; E220-S222 PolarHBondContact OE1-N 3.02Å; E220-S222 PolarHBondContact OE1-OG 3.27Å; E220-W244 HydrophobicContact CB-CE3 3.91Å; E220-W244 HydrophobicContact CB-CZ3 4.5Å; E220-W244 VanDerWaalsContact OE1-CB 3.24Å; E220-W244 WeakPolarHBondContact OE1-CB 3.36Å
221	L	97.9	Very high	96	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.205	C	C	.	.			trans	-130.2	11.5	-179.7	-78	169	0	0	0	112.3	L199 L204 I207 L219 N224 F234 L243 W244 L245 S248	L199-L221 HydrophobicContact CB-CD2 3.88Å; L199-L221 HydrophobicContact CD1-CD2 4.43Å; L204-L221 HydrophobicContact CD1-CD2 4.29Å; I207-L221 HydrophobicContact CD1-CD1 4.49Å; I207-L221 HydrophobicContact CG1-CD1 4.31Å; I207-L221 HydrophobicContact CG2-CD1 4.32Å; L219-L221 HydrophobicContact CD1-CD1 4.24Å; L219-L221 HydrophobicContact CD1-CG 4.02Å; L219-L221 HydrophobicContact CD2-CD1 3.82Å; L219-L221 HydrophobicContact CD2-CG 4.48Å; L219-L221 HydrophobicContact CG-CD1 3.93Å; L219-L221 HydrophobicContact CG-CG 4.06Å; L221-N224 PolarHBondContact O-ND2 3.47Å; L221-F234 HydrophobicContact CD1-CE1 4Å; L221-L243 HydrophobicContact CD1-CD1 4.42Å; L221-W244 CarbonylContact C-O 3.02Å; L221-W244 WeakPolarHBondContact CA-O 3.07Å; L221-W244 PolarHBondContact N-O 3.21Å; L221-L245 HydrophobicContact CB-CD2 3.71Å; L221-L245 HydrophobicContact CD1-CD2 4.08Å; L221-S248 PolarHBondContact O-OG 3.43Å
222	S	98.2	Very high	95.7	Very high	15 Å²	15	39.9 Å²	39.9	11%	0.105	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	147.7	-178.1	-58.8	0	0	0	0	113.4	G200 M201 E220 N224 W244 M246 S248	G200-S222 CarbonylContact C-O 3.41Å; G200-S222 WeakPolarHBondContact CA-O 3.25Å; M201-S222 PolarHBondContact N-O 3.22Å; E220-S222 WeakPolarHBondContact OE1-CA 3.41Å; E220-S222 WeakPolarHBondContact OE1-CB 3.41Å; E220-S222 PolarHBondContact OE1-N 3.02Å; E220-S222 PolarHBondContact OE1-OG 3.27Å; S222-N224 VanDerWaalsContact C-N 3.34Å; S222-W244 PolarHBondContact N-O 2.98Å; S222-M246 CarbonylContact C-O 3.06Å; S222-M246 WeakPolarHBondContact CA-O 3.19Å; S222-M246 WeakPolarHBondContact CB-O 3.45Å; S222-M246 PolarHBondContact OG-N 3.38Å; S222-S248 WeakPolarHBondContact CA-OG 3.42Å
223	G	97	Very high	95.5	Very high	28 Å²	28	39.7 Å²	39.7	29%	0.289	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	72	23.6	178.8	0	0	0	0	0	114.6	M246 S248	G223-M246 PolarHBondContact N-O 3.46Å; G223-S248 PolarHBondContact N-OG 2.88Å
224	N	97.5	Very high	95.4	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	20%	0.201	C	C	.	.			trans	-93.8	-166.4	171.2	-75.8	-56.2	0	0	0	111.3	L199 C202 G203 L204 L221 S222 L226 S248	L199-N224 PolarHBondContact O-ND2 3.43Å; C202-N224 PolarHBondContact N-OD1 2.96Å; G203-N224 PolarHBondContact N-OD1 3.33Å; L204-N224 HydrophobicContact CB-CB 4.23Å; L204-N224 PolarHBondContact N-OD1 3.18Å; L221-N224 PolarHBondContact O-ND2 3.47Å; S222-N224 VanDerWaalsContact C-N 3.34Å; N224-L226 HydrophobicContact CB-CD1 4.36Å; N224-L226 HydrophobicContact CB-CD2 4.19Å; N224-L226 HydrophobicContact CB-CG 3.9Å; N224-S248 PolarHBondContact N-OG 3.36Å; N224-S248 CarbonylContact O-C 3.57Å; N224-S248 VanDerWaalsContact O-C 3.3Å; N224-S248 VanDerWaalsContact O-CA 3.31Å; N224-S248 WeakPolarHBondContact O-CA 3.45Å
225	R	96.1	Very high	95.3	Very high	133 Å²	133	39.9 Å²	39.9	50%	0.502	20%	0.197	S	C	.	.			trans	-131.2	51.7	-176.1	-60.9	-179.5	-69.8	-162.3	-4.6	110.1	G203 L204 K205	G203-R225 VanDerWaalsContact O-CZ 3.25Å; G203-R225 PolarHBondContact O-NE 2.85Å; G203-R225 PolarHBondContact O-NH2 3.02Å; L204-R225 CarbonylContact O-C 3.1Å; L204-R225 VanDerWaalsContact O-C 3.28Å; L204-R225 WeakPolarHBondContact O-CA 3.17Å; L204-R225 PolarHBondContact O-N 3.08Å; K205-R225 WeakPolarHBondContact CA-O 3.35Å
226	L	94.8	Very high	94.9	Very high	5 Å²	5	34.6 Å²	34.6	3%	0.026	19%	0.185	C	C	.	.			trans	-79.5	-18.9	-161.8	-63.6	177.7	0	0	0	114.6	L204 K205 I207 N224 I228 L245 S248 V250	L204-L226 HydrophobicContact CB-CD2 4.12Å; K205-L226 WeakPolarHBondContact O-CA 3.37Å; I207-L226 HydrophobicContact CD1-CD1 4.28Å; I207-L226 HydrophobicContact CG1-CD1 3.96Å; I207-L226 HydrophobicContact CG1-CD2 4.02Å; N224-L226 HydrophobicContact CB-CD1 4.36Å; N224-L226 HydrophobicContact CB-CD2 4.19Å; N224-L226 HydrophobicContact CB-CG 3.9Å; L226-I228 VanDerWaalsContact C-N 3.27Å; L226-I228 PolarHBondContact O-N 3.01Å; L226-L245 HydrophobicContact CD1-CD2 3.71Å; L226-S248 PolarHBondContact N-O 3.2Å; L226-V250 HydrophobicContact CB-CG2 4.48Å
227	D	94.2	Very high	94.7	Very high	85 Å²	85	34.6 Å²	34.6	46%	0.455	19%	0.185	S	C	.	.			trans	52.8	-67.7	178	-165.9	22.6	0	0	0	116.3	V250 S251 A252	D227-V250 CarbonylContact O-C 3.59Å; D227-V250 WeakPolarHBondContact O-CA 3.21Å; D227-V250 WeakPolarHBondContact O-CG1 3.47Å; D227-S251 PolarHBondContact O-N 3.31Å; D227-S251 PolarHBondContact O-OG 3.34Å; D227-S251 VanDerWaalsContact OD1-CB 3.28Å; D227-S251 WeakPolarHBondContact OD1-CB 3.46Å; D227-S251 PolarHBondContact OD1-OG 2.95Å; D227-A252 PolarHBondContact O-N 3.4Å
228	I	94.8	Very high	94.4	Very high	53 Å²	53	35.9 Å²	35.9	27%	0.272	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	121.3	-178.5	-53.7	179.1	0	0	0	110.3	L226 R230 A252 E254	L226-I228 VanDerWaalsContact C-N 3.27Å; L226-I228 PolarHBondContact O-N 3.01Å; I228-R230 HydrophobicContact CG2-CG 4.24Å; I228-A252 WeakPolarHBondContact CA-O 3.38Å; I228-E254 HydrophobicContact CG2-CG 3.81Å; I228-E254 WeakPolarHBondContact CG2-OE1 3.5Å
229	I	96.1	Very high	94.3	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	125.1	170.8	-59.4	178.7	0	0	0	109.3	F234 L245 V250 A252 I253 E254 A257 F258 L269	I229-F234 HydrophobicContact CG2-CE2 3.69Å; I229-F234 HydrophobicContact CG2-CZ 4.49Å; I229-L245 HydrophobicContact CD1-CD1 3.72Å; I229-V250 HydrophobicContact CD1-CG1 4Å; I229-V250 HydrophobicContact CD1-CG2 4.1Å; I229-V250 HydrophobicContact CG1-CG1 3.89Å; I229-V250 HydrophobicContact CG1-CG2 4.29Å; I229-A252 PolarHBondContact N-O 2.99Å; I229-A252 VanDerWaalsContact N-O 3.12Å; I229-I253 HydrophobicContact CB-CG1 4.24Å; I229-I253 HydrophobicContact CB-CG2 4.23Å; I229-I253 HydrophobicContact CD1-CD1 4.15Å; I229-I253 HydrophobicContact CD1-CG1 4.19Å; I229-I253 HydrophobicContact CG1-CG1 4.48Å; I229-I253 HydrophobicContact CG2-CG2 4.41Å; I229-E254 WeakPolarHBondContact O-CB 3.01Å; I229-E254 PolarHBondContact O-N 3.3Å; I229-A257 HydrophobicContact CG2-CB 4.13Å; I229-F258 HydrophobicContact CD1-CZ 4.35Å; I229-F258 HydrophobicContact CG2-CE1 4.19Å; I229-L269 HydrophobicContact CD1-CD2 4.25Å
230	R	93.3	Very high	94.2	Very high	95 Å²	95	35.9 Å²	35.9	36%	0.358	20%	0.2	S	C	.	.			trans	-111.5	154.7	-175.8	-48.8	-166.3	-178.3	90.2	2.3	111.1	D206 I228 S233 E254	D206-R230 IonicContact OD1-CZ 3.89Å; D206-R230 IonicContact OD1-NH1 3.87Å; D206-R230 PolarHBondContact OD1-NH1 3.22Å; I228-R230 HydrophobicContact CG2-CG 4.24Å; R230-S233 VanDerWaalsContact O-CB 3.31Å; R230-S233 WeakPolarHBondContact O-CB 3.35Å; R230-S233 PolarHBondContact O-N 3.32Å; R230-S233 PolarHBondContact O-OG 2.8Å; R230-E254 WeakPolarHBondContact CA-OE2 3.24Å; R230-E254 VanDerWaalsContact CB-OE2 3.31Å; R230-E254 WeakPolarHBondContact CB-OE2 3.27Å; R230-E254 WeakPolarHBondContact CG-OE2 3.06Å; R230-E254 IonicContact NE-OE1 2.63Å
231	P	88.4	Confident	94.2	Very high	24 Å²	24	37.9 Å²	37.9	16%	0.156	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	157.6	160.2	28.6	-33	0	0	0	110.1	S233 E254 H391	P231-S233 PolarHBondContact O-N 2.95Å; P231-E254 WeakPolarHBondContact CD-OE2 3.39Å; P231-H391 VanDerWaalsContact CG-CE1 3.43Å; P231-H391 WeakPolarHBondContact CG-CE1 3.44Å; P231-H391 WeakPolarHBondContact CG-ND1 3.32Å; P231-H391 WeakPolarHBondContact CG-O 3.18Å
232	G	86.3	Confident	94.2	Very high	29 Å²	29	40 Å²	40	30%	0.299	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.8	-31.7	-169.2	0	0	0	0	0	114	F234 Q235 Y394	G232-F234 PolarHBondContact O-N 3.37Å; G232-F234 VanDerWaalsContact O-N 3.12Å; G232-Q235 WeakPolarHBondContact O-CB 3.18Å; G232-Q235 PolarHBondContact O-N 2.87Å; G232-Q235 VanDerWaalsContact O-N 3.12Å; G232-Y394 WeakPolarHBondContact CA-OH 3Å; G232-Y394 PolarHBondContact N-OH 2.95Å
233	S	91.8	Very high	94.2	Very high	25 Å²	25	39.2 Å²	39.2	18%	0.175	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-26.6	-178.6	-66	0	0	0	0	114.2	I207 R230 P231	I207-S233 WeakPolarHBondContact CG2-O 3.37Å; R230-S233 VanDerWaalsContact O-CB 3.31Å; R230-S233 WeakPolarHBondContact O-CB 3.35Å; R230-S233 PolarHBondContact O-N 3.32Å; R230-S233 PolarHBondContact O-OG 2.8Å; P231-S233 PolarHBondContact O-N 2.95Å
234	F	94.3	Very high	94.3	Very high	3 Å²	3	39.8 Å²	39.8	1%	0.013	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.6	18.7	177.2	-54.3	-71.5	0	0	0	113.5	I207 L219 L221 I229 G232 G236 L237 L243 L245 F258 L261	I207-F234 HydrophobicContact CD1-CE1 3.91Å; I207-F234 HydrophobicContact CD1-CE2 4.04Å; I207-F234 HydrophobicContact CD1-CZ 3.46Å; I207-F234 VanDerWaalsContact CD1-CZ 3.46Å; L219-F234 HydrophobicContact CD2-CD1 4.19Å; L219-F234 HydrophobicContact CD2-CE1 4.1Å; L221-F234 HydrophobicContact CD1-CE1 4Å; I229-F234 HydrophobicContact CG2-CE2 3.69Å; I229-F234 HydrophobicContact CG2-CZ 4.49Å; G232-F234 PolarHBondContact O-N 3.37Å; G232-F234 VanDerWaalsContact O-N 3.12Å; F234-G236 PolarHBondContact O-N 3.05Å; F234-L237 HydrophobicContact CB-CD1 4.18Å; F234-L237 HydrophobicContact CD1-CD1 4.11Å; F234-L237 WeakPolarHBondContact O-CB 3.43Å; F234-L237 WeakPolarHBondContact O-CG 3.39Å; F234-L237 PolarHBondContact O-N 2.79Å; F234-L243 HydrophobicContact CD1-CD2 4.36Å; F234-L243 HydrophobicContact CE1-CD1 3.76Å; F234-L243 HydrophobicContact CE1-CD2 3.9Å; F234-L243 HydrophobicContact CE2-CD2 4.1Å; F234-L243 HydrophobicContact CZ-CD1 4.13Å; F234-L243 HydrophobicContact CZ-CD2 3.75Å; F234-L245 HydrophobicContact CZ-CD1 4.21Å; F234-F258 HydrophobicContact CD2-CD1 4.06Å; F234-F258 HydrophobicContact CD2-CE1 4.18Å; F234-F258 HydrophobicContact CE2-CD1 4.04Å; F234-F258 AromaticContact CE2-CE1 3.68Å; F234-F258 HydrophobicContact CE2-CE1 3.68Å; F234-F258 HydrophobicContact CZ-CE1 4.49Å; F234-L261 HydrophobicContact CB-CD1 4.26Å; F234-L261 HydrophobicContact CB-CD2 3.94Å; F234-L261 HydrophobicContact CB-CG 4.3Å; F234-L261 HydrophobicContact CD2-CD1 4.36Å; F234-L261 HydrophobicContact CG-CD1 4.27Å
235	Q	91.3	Very high	94.3	Very high	73 Å²	73	39.7 Å²	39.7	34%	0.341	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	132.9	-174.8	-172.8	-178.8	33.3	0	0	112	T211 G232 L237 Y394	T211-Q235 HydrophobicContact CG2-CB 4.16Å; T211-Q235 WeakPolarHBondContact CG2-O 3.41Å; G232-Q235 WeakPolarHBondContact O-CB 3.18Å; G232-Q235 PolarHBondContact O-N 2.87Å; G232-Q235 VanDerWaalsContact O-N 3.12Å; Q235-L237 PolarHBondContact O-N 2.76Å; Q235-Y394 HydrophobicContact CB-CE1 4.47Å; Q235-Y394 HydrophobicContact CB-CE2 4.43Å; Q235-Y394 HydrophobicContact CG-CD2 4.18Å; Q235-Y394 HydrophobicContact CG-CE1 4.23Å; Q235-Y394 HydrophobicContact CG-CE2 3.78Å; Q235-Y394 VanDerWaalsContact NE2-CD1 3.35Å; Q235-Y394 VanDerWaalsContact NE2-CD2 3.33Å
236	G	88.2	Confident	94.3	Very high	25 Å²	25	36 Å²	36	26%	0.258	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.8	-1.4	176.7	0	0	0	0	0	115.6	F234 V238	F234-G236 PolarHBondContact O-N 3.05Å; G236-V238 PolarHBondContact O-N 2.84Å
237	L	94.9	Very high	94.4	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	21%	0.212	C	C	.	.			trans	-77.7	45.7	175	-60.6	-176.3	0	0	0	112.6	L210 L213 L216 L219 F234 Q235 S239 L240 L261	L210-L237 HydrophobicContact CB-CD1 4.05Å; L210-L237 HydrophobicContact CB-CD2 4.04Å; L210-L237 HydrophobicContact CB-CG 4.4Å; L210-L237 HydrophobicContact CD1-CD1 4.01Å; L213-L237 HydrophobicContact CB-CD2 4.18Å; L216-L237 HydrophobicContact CB-CD2 4.28Å; L216-L237 HydrophobicContact CD2-CD1 4.42Å; L216-L237 HydrophobicContact CD2-CD2 4.16Å; L219-L237 HydrophobicContact CD2-CD1 4.06Å; F234-L237 HydrophobicContact CB-CD1 4.18Å; F234-L237 HydrophobicContact CD1-CD1 4.11Å; F234-L237 WeakPolarHBondContact O-CB 3.43Å; F234-L237 WeakPolarHBondContact O-CG 3.39Å; F234-L237 PolarHBondContact O-N 2.79Å; Q235-L237 PolarHBondContact O-N 2.76Å; L237-S239 PolarHBondContact O-N 2.99Å; L237-S239 VanDerWaalsContact O-N 3.07Å; L237-L240 HydrophobicContact CB-CB 4.17Å; L237-L240 HydrophobicContact CD1-CD2 4.39Å; L237-L240 WeakPolarHBondContact O-CB 3.43Å; L237-L240 PolarHBondContact O-N 3.31Å; L237-L261 HydrophobicContact CB-CD2 3.99Å
238	V	91.6	Very high	94.5	Very high	73 Å²	73	36.4 Å²	36.4	44%	0.442	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-16.4	-174.2	-61.1	0	0	0	0	114.1	G236 N263	G236-V238 PolarHBondContact O-N 2.84Å; V238-N263 PolarHBondContact O-ND2 2.92Å
239	S	96.3	Very high	94.6	Very high	41 Å²	41	39.2 Å²	39.2	29%	0.287	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-2.6	177.1	-61.3	0	0	0	0	113.6	V214 L216 L237 R241	V214-S239 PolarHBondContact O-OG 3.12Å; L216-S239 CarbonylContact O-C 3.28Å; L216-S239 WeakPolarHBondContact O-CB 3.32Å; L216-S239 VanDerWaalsContact O-O 3.12Å; L237-S239 PolarHBondContact O-N 2.99Å; L237-S239 VanDerWaalsContact O-N 3.07Å; S239-R241 PolarHBondContact O-N 2.93Å
240	L	98	Very high	94.6	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.202	C	C	.	.			trans	-74.8	123.4	-169.7	-167.6	74.4	0	0	0	111.3	L216 L219 L237 L243 L261 N263 L264	L216-L240 HydrophobicContact CB-CD1 4.41Å; L216-L240 HydrophobicContact CD2-CD1 4.07Å; L216-L240 HydrophobicContact CG-CD1 4Å; L216-L240 WeakPolarHBondContact O-CA 3.22Å; L216-L240 PolarHBondContact O-N 2.86Å; L216-L240 VanDerWaalsContact O-N 3.11Å; L219-L240 HydrophobicContact CB-CD1 3.7Å; L219-L240 HydrophobicContact CB-CD2 4.32Å; L219-L240 HydrophobicContact CD2-CD2 4.44Å; L237-L240 HydrophobicContact CB-CB 4.17Å; L237-L240 HydrophobicContact CD1-CD2 4.39Å; L237-L240 WeakPolarHBondContact O-CB 3.43Å; L237-L240 PolarHBondContact O-N 3.31Å; L240-L243 HydrophobicContact CD2-CB 4.14Å; L240-L261 HydrophobicContact CB-CD2 4.13Å; L240-L261 HydrophobicContact CD2-CD1 4.42Å; L240-L261 HydrophobicContact CD2-CD2 3.86Å; L240-N263 CarbonylContact O-C 3.48Å; L240-N263 VanDerWaalsContact O-C 3.27Å; L240-L264 HydrophobicContact CD2-CD1 4.33Å; L240-L264 HydrophobicContact CG-CD1 4.32Å; L240-L264 WeakPolarHBondContact O-CA 3.37Å; L240-L264 PolarHBondContact O-N 3.28Å
241	R	97.9	Very high	94.8	Very high	87 Å²	87	37 Å²	37	33%	0.328	20%	0.201	S	C	.	.			trans	-106.5	-28.3	-178.3	-65.8	169.4	65.7	-118.2	-3.3	112.5	E217 S239 N263 E265 E266	E217-R241 WeakPolarHBondContact O-CA 3.29Å; E217-R241 PolarHBondContact O-N 3.25Å; S239-R241 PolarHBondContact O-N 2.93Å; R241-N263 WeakPolarHBondContact CA-O 3.29Å; R241-N263 WeakPolarHBondContact CG-O 3.17Å; R241-E265 HydrophobicContact CB-CG 4.34Å; R241-E265 IonicContact CZ-OE1 3.63Å; R241-E265 IonicContact CZ-OE2 3.05Å; R241-E265 VanDerWaalsContact NE-CD 3.32Å; R241-E265 IonicContact NE-OE1 3.58Å; R241-E265 PolarHBondContact NE-OE1 3.16Å; R241-E265 IonicContact NE-OE2 2.84Å; R241-E265 PolarHBondContact NE-OE2 2.86Å; R241-E265 IonicContact NH2-OE1 2.76Å; R241-E265 PolarHBondContact NH2-OE1 2.94Å; R241-E265 IonicContact NH2-OE2 3.52Å; R241-E265 PolarHBondContact NH2-OE2 3.37Å; R241-E265 WeakPolarHBondContact O-CA 3.27Å; R241-E265 PolarHBondContact O-N 3.17Å; R241-E266 PolarHBondContact O-N 2.84Å
242	K	98.4	Very high	95.1	Very high	43 Å²	43	37.7 Å²	37.7	19%	0.187	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	131	178.1	-50	-173.2	-173.7	156.1	0	112.3	E217 E218 L219 W244 E266	E217-K242 PolarHBondContact O-N 2.91Å; E218-K242 HydrophobicContact CG-CB 4.24Å; E218-K242 HydrophobicContact CG-CD 4.08Å; E218-K242 HydrophobicContact CG-CG 4.22Å; E218-K242 WeakPolarHBondContact OE1-CD 3.19Å; E218-K242 WeakPolarHBondContact OE1-CE 3.34Å; E218-K242 IonicContact OE1-NZ 2.68Å; E218-K242 PolarHBondContact OE1-NZ 2.95Å; L219-K242 PolarHBondContact N-O 3.03Å; K242-W244 HydrophobicContact CB-CH2 4.13Å; K242-W244 HydrophobicContact CB-CZ2 3.9Å; K242-W244 HydrophobicContact CD-CH2 3.81Å; K242-W244 HydrophobicContact CD-CZ2 3.44Å; K242-W244 VanDerWaalsContact CD-CZ2 3.44Å; K242-W244 HydrophobicContact CG-CZ2 4.33Å; K242-E266 WeakPolarHBondContact CA-O 3.49Å; K242-E266 HydrophobicContact CB-CB 4.15Å; K242-E266 HydrophobicContact CD-CB 4.49Å; K242-E266 WeakPolarHBondContact CD-OE2 3.35Å; K242-E266 HydrophobicContact CG-CB 3.9Å
243	L	98.3	Very high	95.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	114.5	177.1	177.5	54.4	0	0	0	110.1	L219 L221 F234 L240 L245 F258 L261 L264 E266 L267 N268	L219-L243 HydrophobicContact CB-CD1 4.3Å; L219-L243 HydrophobicContact CD2-CD1 3.99Å; L219-L243 HydrophobicContact CG-CD1 4.11Å; L221-L243 HydrophobicContact CD1-CD1 4.42Å; F234-L243 HydrophobicContact CD1-CD2 4.36Å; F234-L243 HydrophobicContact CE1-CD1 3.76Å; F234-L243 HydrophobicContact CE1-CD2 3.9Å; F234-L243 HydrophobicContact CE2-CD2 4.1Å; F234-L243 HydrophobicContact CZ-CD1 4.13Å; F234-L243 HydrophobicContact CZ-CD2 3.75Å; L240-L243 HydrophobicContact CD2-CB 4.14Å; L243-L245 HydrophobicContact CD1-CD1 4.04Å; L243-L245 HydrophobicContact CD1-CG 4.02Å; L243-L245 HydrophobicContact CD2-CD1 3.86Å; L243-L245 HydrophobicContact CG-CD1 3.75Å; L243-L245 HydrophobicContact CG-CG 4.13Å; L243-F258 HydrophobicContact CD2-CD1 4.42Å; L243-F258 HydrophobicContact CD2-CE1 4Å; L243-L261 HydrophobicContact CD2-CD1 3.81Å; L243-L264 HydrophobicContact CB-CD1 3.84Å; L243-E266 PolarHBondContact N-O 2.87Å; L243-L267 HydrophobicContact CB-CD1 4.16Å; L243-L267 HydrophobicContact CD2-CD1 3.98Å; L243-L267 HydrophobicContact CG-CD1 4.05Å; L243-N268 PolarHBondContact O-N 3.46Å
244	W	98.2	Very high	95.7	Very high	39 Å²	39	37.4 Å²	37.4	15%	0.148	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	120.6	179.1	-55.9	-65.1	0	0	0	110.9	Y196 E218 L219 E220 L221 S222 K242 E266	Y196-W244 HydrophobicContact CE2-CZ3 4.26Å; E218-W244 HydrophobicContact CB-CH2 4.15Å; E218-W244 HydrophobicContact CB-CZ3 3.98Å; E218-W244 HydrophobicContact CG-CH2 4.35Å; L219-W244 PolarHBondContact O-N 3.27Å; E220-W244 HydrophobicContact CB-CE3 3.91Å; E220-W244 HydrophobicContact CB-CZ3 4.5Å; E220-W244 VanDerWaalsContact OE1-CB 3.24Å; E220-W244 WeakPolarHBondContact OE1-CB 3.36Å; L221-W244 CarbonylContact C-O 3.02Å; L221-W244 WeakPolarHBondContact CA-O 3.07Å; L221-W244 PolarHBondContact N-O 3.21Å; S222-W244 PolarHBondContact N-O 2.98Å; K242-W244 HydrophobicContact CB-CH2 4.13Å; K242-W244 HydrophobicContact CB-CZ2 3.9Å; K242-W244 HydrophobicContact CD-CH2 3.81Å; K242-W244 HydrophobicContact CD-CZ2 3.44Å; K242-W244 VanDerWaalsContact CD-CZ2 3.44Å; K242-W244 HydrophobicContact CG-CZ2 4.33Å; W244-E266 PolarHBondContact NE1-OE1 2.82Å
245	L	97.1	Very high	95.6	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.199	C	C	.	.			trans	-133.5	28.4	-175	-71.9	160.4	0	0	0	110.5	L221 L226 I229 F234 L243 N268 L269 N272	L221-L245 HydrophobicContact CB-CD2 3.71Å; L221-L245 HydrophobicContact CD1-CD2 4.08Å; L226-L245 HydrophobicContact CD1-CD2 3.71Å; I229-L245 HydrophobicContact CD1-CD1 3.72Å; F234-L245 HydrophobicContact CZ-CD1 4.21Å; L243-L245 HydrophobicContact CD1-CD1 4.04Å; L243-L245 HydrophobicContact CD1-CG 4.02Å; L243-L245 HydrophobicContact CD2-CD1 3.86Å; L243-L245 HydrophobicContact CG-CD1 3.75Å; L243-L245 HydrophobicContact CG-CG 4.13Å; L245-N268 CarbonylContact C-O 3.47Å; L245-N268 WeakPolarHBondContact CA-O 3.38Å; L245-N268 WeakPolarHBondContact CB-O 3.45Å; L245-N268 PolarHBondContact N-O 2.9Å; L245-L269 HydrophobicContact CB-CD2 4.01Å; L245-L269 HydrophobicContact CD1-CD2 3.81Å; L245-N272 PolarHBondContact O-ND2 3.05Å
246	M	96.5	Very high	95.7	Very high	55 Å²	55	35.2 Å²	35.2	27%	0.271	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	140.9	-175.1	176.9	173.8	165	0	0	110.7	S222 G223 S248 S270	S222-M246 CarbonylContact C-O 3.06Å; S222-M246 WeakPolarHBondContact CA-O 3.19Å; S222-M246 WeakPolarHBondContact CB-O 3.45Å; S222-M246 PolarHBondContact OG-N 3.38Å; G223-M246 PolarHBondContact N-O 3.46Å; M246-S248 PolarHBondContact O-N 2.88Å; M246-S248 PolarHBondContact O-OG 3.32Å; M246-S270 VanDerWaalsContact CA-O 3.29Å; M246-S270 WeakPolarHBondContact CA-O 3.42Å; M246-S270 WeakPolarHBondContact CG-OG 3.34Å
247	H	96.5	Very high	96.1	Very high	98 Å²	98	34.2 Å²	34.2	45%	0.454	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	18.5	-178.3	-72.2	-72	0	0	0	115.7	Q249 S270 H271	H247-Q249 VanDerWaalsContact C-N 3.25Å; H247-Q249 PolarHBondContact O-N 3.09Å; H247-S270 PolarHBondContact N-O 2.85Å; H247-S270 VanDerWaalsContact N-O 3.12Å; H247-H271 WeakPolarHBondContact CA-O 3.27Å; H247-H271 VanDerWaalsContact CE1-CB 3.4Å; H247-H271 WeakPolarHBondContact CE1-CB 3.15Å; H247-H271 AromaticContact CE1-CG 3.58Å; H247-H271 AromaticContact CE1-ND1 3.42Å; H247-H271 PolarHBondContact CE1-ND1 2.91Å; H247-H271 WeakPolarHBondContact ND1-CB 3.37Å; H247-H271 AromaticContact NE2-CG 3.64Å; H247-H271 AromaticContact NE2-ND1 3.63Å
248	S	96.9	Very high	96.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.177	C	C	.	.	S	Bend	trans	-86.3	15.8	-176	-66.5	0	0	0	0	115.3	L221 S222 G223 N224 L226 M246 V250 N272	L221-S248 PolarHBondContact O-OG 3.43Å; S222-S248 WeakPolarHBondContact CA-OG 3.42Å; G223-S248 PolarHBondContact N-OG 2.88Å; N224-S248 PolarHBondContact N-OG 3.36Å; N224-S248 CarbonylContact O-C 3.57Å; N224-S248 VanDerWaalsContact O-C 3.3Å; N224-S248 VanDerWaalsContact O-CA 3.31Å; N224-S248 WeakPolarHBondContact O-CA 3.45Å; L226-S248 PolarHBondContact N-O 3.2Å; M246-S248 PolarHBondContact O-N 2.88Å; M246-S248 PolarHBondContact O-OG 3.32Å; S248-V250 PolarHBondContact O-N 3Å; S248-N272 PolarHBondContact N-OD1 3.45Å
249	Q	95.9	Very high	96.1	Very high	112 Å²	112	32.3 Å²	32.3	52%	0.523	16%	0.164	S	C	.	.			trans	59.9	21.4	176.6	-52.3	-175.4	-3.4	0	0	114.9	H247 S251 N272	H247-Q249 VanDerWaalsContact C-N 3.25Å; H247-Q249 PolarHBondContact O-N 3.09Å; Q249-S251 PolarHBondContact O-N 2.57Å; Q249-N272 PolarHBondContact N-OD1 2.91Å
250	V	97.3	Very high	95.8	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.16	C	C	.	.			trans	-65.1	119.5	-175.9	-171.3	0	0	0	0	110.5	L226 D227 I229 S248 A252 I253 N272 S273 L274	L226-V250 HydrophobicContact CB-CG2 4.48Å; D227-V250 CarbonylContact O-C 3.59Å; D227-V250 WeakPolarHBondContact O-CA 3.21Å; D227-V250 WeakPolarHBondContact O-CG1 3.47Å; I229-V250 HydrophobicContact CD1-CG1 4Å; I229-V250 HydrophobicContact CD1-CG2 4.1Å; I229-V250 HydrophobicContact CG1-CG1 3.89Å; I229-V250 HydrophobicContact CG1-CG2 4.29Å; S248-V250 PolarHBondContact O-N 3Å; V250-A252 VanDerWaalsContact CG1-O 3.24Å; V250-A252 WeakPolarHBondContact CG1-O 3.4Å; V250-I253 HydrophobicContact CG1-CG1 4.11Å; V250-N272 HydrophobicContact CB-CB 4.18Å; V250-N272 PolarHBondContact N-OD1 3.44Å; V250-S273 CarbonylContact O-C 3.54Å; V250-S273 WeakPolarHBondContact O-CA 3.36Å; V250-S273 WeakPolarHBondContact O-CB 3.25Å; V250-S273 PolarHBondContact O-N 2.96Å; V250-L274 HydrophobicContact CB-CD2 4.29Å; V250-L274 HydrophobicContact CG1-CD2 3.79Å; V250-L274 PolarHBondContact O-N 3.09Å
251	S	96	Very high	95.6	Very high	49 Å²	49	32.1 Å²	32.1	34%	0.343	16%	0.16	S	C	.	.			trans	-92.7	-34.3	176.6	70.6	0	0	0	0	112.3	D227 Q249	D227-S251 PolarHBondContact O-N 3.31Å; D227-S251 PolarHBondContact O-OG 3.34Å; D227-S251 VanDerWaalsContact OD1-CB 3.28Å; D227-S251 WeakPolarHBondContact OD1-CB 3.46Å; D227-S251 PolarHBondContact OD1-OG 2.95Å; Q249-S251 PolarHBondContact O-N 2.57Å
252	A	95.3	Very high	95.3	Very high	39 Å²	39	34.2 Å²	34.2	32%	0.322	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	154.7	-178.9	0	0	0	0	0	112.8	D227 I228 I229 V250	D227-A252 PolarHBondContact O-N 3.4Å; I228-A252 WeakPolarHBondContact CA-O 3.38Å; I229-A252 PolarHBondContact N-O 2.99Å; I229-A252 VanDerWaalsContact N-O 3.12Å; V250-A252 VanDerWaalsContact CG1-O 3.24Å; V250-A252 WeakPolarHBondContact CG1-O 3.4Å
253	I	96.3	Very high	95.2	Very high	10 Å²	10	35 Å²	35	5%	0.051	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	128.6	168.3	-56.2	-174.5	0	0	0	106.3	I229 V250 A257 F258 L269 L274 L277 P278 L281	I229-I253 HydrophobicContact CB-CG1 4.24Å; I229-I253 HydrophobicContact CB-CG2 4.23Å; I229-I253 HydrophobicContact CD1-CD1 4.15Å; I229-I253 HydrophobicContact CD1-CG1 4.19Å; I229-I253 HydrophobicContact CG1-CG1 4.48Å; I229-I253 HydrophobicContact CG2-CG2 4.41Å; V250-I253 HydrophobicContact CG1-CG1 4.11Å; I253-A257 HydrophobicContact CG2-CB 3.8Å; I253-F258 HydrophobicContact CD1-CE2 4.02Å; I253-F258 HydrophobicContact CD1-CZ 3.98Å; I253-F258 HydrophobicContact CG2-CE2 4.19Å; I253-F258 HydrophobicContact CG2-CZ 4.36Å; I253-L269 HydrophobicContact CD1-CD1 3.7Å; I253-L269 HydrophobicContact CD1-CD2 3.94Å; I253-L269 HydrophobicContact CD1-CG 4.49Å; I253-L274 HydrophobicContact CD1-CD1 4.29Å; I253-L274 HydrophobicContact CD1-CD2 4.28Å; I253-L274 HydrophobicContact CG1-CD2 3.92Å; I253-L277 HydrophobicContact CB-CD2 4.47Å; I253-L277 HydrophobicContact CD1-CD2 3.82Å; I253-L277 HydrophobicContact CG1-CD2 4.33Å; I253-P278 VanDerWaalsContact O-CD 3.3Å; I253-P278 WeakPolarHBondContact O-CD 3.43Å; I253-P278 WeakPolarHBondContact O-CG 3.17Å; I253-L281 HydrophobicContact CG2-CD1 4.37Å; I253-L281 HydrophobicContact CG2-CD2 4.03Å
254	E	94.4	Very high	95.2	Very high	38 Å²	38	35 Å²	35	18%	0.178	18%	0.178	C	C	.	.			trans	-78.2	163	-178.9	-68.1	176.8	176.5	0	0	112	I228 I229 R230 P231 N256 A257 H391	I228-E254 HydrophobicContact CG2-CG 3.81Å; I228-E254 WeakPolarHBondContact CG2-OE1 3.5Å; I229-E254 WeakPolarHBondContact O-CB 3.01Å; I229-E254 PolarHBondContact O-N 3.3Å; R230-E254 WeakPolarHBondContact CA-OE2 3.24Å; R230-E254 VanDerWaalsContact CB-OE2 3.31Å; R230-E254 WeakPolarHBondContact CB-OE2 3.27Å; R230-E254 WeakPolarHBondContact CG-OE2 3.06Å; R230-E254 IonicContact NE-OE1 2.63Å; P231-E254 WeakPolarHBondContact CD-OE2 3.39Å; E254-N256 PolarHBondContact O-N 2.98Å; E254-A257 VanDerWaalsContact O-CB 3.3Å; E254-A257 WeakPolarHBondContact O-CB 3.48Å; E254-A257 PolarHBondContact O-N 3.42Å; E254-H391 IonicContact OE2-CE1 2.71Å; E254-H391 PolarHBondContact OE2-CE1 3.13Å
255	R	92.8	Very high	95	Very high	9 Å²	9	35 Å²	35	3%	0.034	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	137.8	175.5	-67.8	160.5	171.6	154	-12.6	110.4	A257 P278 T372 S375 T377 V379 H391 H402 D403	R255-A257 PolarHBondContact O-N 2.97Å; R255-A257 VanDerWaalsContact O-N 3.13Å; R255-P278 HydrophobicContact CG-CB 4.48Å; R255-T372 PolarHBondContact NH2-OG1 3.05Å; R255-S375 PolarHBondContact NE-O 2.76Å; R255-T377 PolarHBondContact NE-O 3.14Å; R255-T377 PolarHBondContact NH2-O 3.37Å; R255-T377 VanDerWaalsContact NH2-O 3.13Å; R255-T377 PolarHBondContact NH2-OG1 2.91Å; R255-V379 VanDerWaalsContact NH2-CG2 3.34Å; R255-H391 HydrophobicContact CB-CB 3.77Å; R255-H391 PolarHBondContact O-ND1 2.91Å; R255-H402 PolarHBondContact NH1-O 2.7Å; R255-D403 PolarHBondContact NH1-O 2.96Å; R255-D403 VanDerWaalsContact NH1-O 3.1Å
256	N	93.7	Very high	94.9	Very high	20 Å²	20	35.9 Å²	35.9	11%	0.107	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	18.4	176.4	-53.7	102.1	0	0	0	116.2	E254 F258 D259 H391 G392	E254-N256 PolarHBondContact O-N 2.98Å; N256-F258 PolarHBondContact O-N 3.37Å; N256-F258 VanDerWaalsContact O-N 3.08Å; N256-D259 WeakPolarHBondContact CA-OD1 3.31Å; N256-D259 WeakPolarHBondContact CB-OD2 3.48Å; N256-D259 PolarHBondContact ND2-OD2 3.04Å; N256-D259 PolarHBondContact O-N 2.97Å; N256-H391 HydrophobicContact CB-CB 4.28Å; N256-H391 WeakPolarHBondContact OD1-CB 3.31Å; N256-H391 PolarHBondContact OD1-N 2.9Å; N256-G392 VanDerWaalsContact CB-N 3.31Å
257	A	94.9	Very high	94.8	Very high	4 Å²	4	33.3 Å²	33.3	3%	0.033	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-11	-171.9	0	0	0	0	0	115.5	I229 I253 E254 R255	I229-A257 HydrophobicContact CG2-CB 4.13Å; I253-A257 HydrophobicContact CG2-CB 3.8Å; E254-A257 VanDerWaalsContact O-CB 3.3Å; E254-A257 WeakPolarHBondContact O-CB 3.48Å; E254-A257 PolarHBondContact O-N 3.42Å; R255-A257 PolarHBondContact O-N 2.97Å; R255-A257 VanDerWaalsContact O-N 3.13Å
258	F	95.4	Very high	94.8	Very high	1 Å²	1	29.5 Å²	29.5	0%	0.004	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.3	-0.4	179.9	-61.3	-45.9	0	0	0	114.4	I229 F234 L243 I253 N256 D260 L261 L267 L269 L281 L285	I229-F258 HydrophobicContact CD1-CZ 4.35Å; I229-F258 HydrophobicContact CG2-CE1 4.19Å; F234-F258 HydrophobicContact CD2-CD1 4.06Å; F234-F258 HydrophobicContact CD2-CE1 4.18Å; F234-F258 HydrophobicContact CE2-CD1 4.04Å; F234-F258 AromaticContact CE2-CE1 3.68Å; F234-F258 HydrophobicContact CE2-CE1 3.68Å; F234-F258 HydrophobicContact CZ-CE1 4.49Å; L243-F258 HydrophobicContact CD2-CD1 4.42Å; L243-F258 HydrophobicContact CD2-CE1 4Å; I253-F258 HydrophobicContact CD1-CE2 4.02Å; I253-F258 HydrophobicContact CD1-CZ 3.98Å; I253-F258 HydrophobicContact CG2-CE2 4.19Å; I253-F258 HydrophobicContact CG2-CZ 4.36Å; N256-F258 PolarHBondContact O-N 3.37Å; N256-F258 VanDerWaalsContact O-N 3.08Å; F258-D260 PolarHBondContact O-N 2.85Å; F258-L261 HydrophobicContact CB-CD1 4.29Å; F258-L261 HydrophobicContact CD1-CD1 3.84Å; F258-L261 HydrophobicContact CG-CD1 4.43Å; F258-L261 VanDerWaalsContact O-CB 3.28Å; F258-L261 WeakPolarHBondContact O-CB 3.11Å; F258-L261 PolarHBondContact O-N 3.09Å; F258-L267 HydrophobicContact CD2-CD2 4.23Å; F258-L267 HydrophobicContact CE2-CD2 3.85Å; F258-L267 HydrophobicContact CZ-CD1 4.24Å; F258-L267 HydrophobicContact CZ-CD2 4.3Å; F258-L269 HydrophobicContact CE2-CD1 4.36Å; F258-L269 HydrophobicContact CZ-CD1 4.47Å; F258-L281 HydrophobicContact CD2-CD1 3.8Å; F258-L281 HydrophobicContact CD2-CD2 3.95Å; F258-L281 HydrophobicContact CD2-CG 3.84Å; F258-L281 HydrophobicContact CE2-CD1 4.46Å; F258-L281 HydrophobicContact CE2-CD2 3.93Å; F258-L281 HydrophobicContact CE2-CG 4.34Å; F258-L281 HydrophobicContact CG-CD1 4.47Å; F258-L285 HydrophobicContact CB-CD1 4.05Å; F258-L285 HydrophobicContact CB-CD2 4.39Å; F258-L285 WeakPolarHBondContact O-CD2 3.38Å
259	D	91.4	Very high	94.8	Very high	33 Å²	33	29.5 Å²	29.5	18%	0.176	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-21	-168.5	-67.7	23.3	0	0	0	115.5	N256 L261 K262	N256-D259 WeakPolarHBondContact CA-OD1 3.31Å; N256-D259 WeakPolarHBondContact CB-OD2 3.48Å; N256-D259 PolarHBondContact ND2-OD2 3.04Å; N256-D259 PolarHBondContact O-N 2.97Å; D259-L261 VanDerWaalsContact C-N 3.35Å; D259-K262 VanDerWaalsContact O-CE 3.26Å; D259-K262 WeakPolarHBondContact O-CE 3.1Å
260	D	89.7	Confident	94.7	Very high	37 Å²	37	24.3 Å²	24.3	20%	0.198	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-25.2	172.9	-73.6	-61.2	0	0	0	113.6	F258 K262 Y394	F258-D260 PolarHBondContact O-N 2.85Å; D260-K262 PolarHBondContact O-N 3.31Å; D260-Y394 WeakPolarHBondContact OD2-CE2 3.41Å; D260-Y394 VanDerWaalsContact OD2-CZ 3.29Å; D260-Y394 PolarHBondContact OD2-OH 3.2Å
261	L	94.9	Very high	94.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.144	C	C	.	.			trans	-83.8	47.4	-166.9	-57.8	-177.2	0	0	0	112.5	F234 L237 L240 L243 F258 D259 N263 L264 L285	F234-L261 HydrophobicContact CB-CD1 4.26Å; F234-L261 HydrophobicContact CB-CD2 3.94Å; F234-L261 HydrophobicContact CB-CG 4.3Å; F234-L261 HydrophobicContact CD2-CD1 4.36Å; F234-L261 HydrophobicContact CG-CD1 4.27Å; L237-L261 HydrophobicContact CB-CD2 3.99Å; L240-L261 HydrophobicContact CB-CD2 4.13Å; L240-L261 HydrophobicContact CD2-CD1 4.42Å; L240-L261 HydrophobicContact CD2-CD2 3.86Å; L243-L261 HydrophobicContact CD2-CD1 3.81Å; F258-L261 HydrophobicContact CB-CD1 4.29Å; F258-L261 HydrophobicContact CD1-CD1 3.84Å; F258-L261 HydrophobicContact CG-CD1 4.43Å; F258-L261 VanDerWaalsContact O-CB 3.28Å; F258-L261 WeakPolarHBondContact O-CB 3.11Å; F258-L261 PolarHBondContact O-N 3.09Å; D259-L261 VanDerWaalsContact C-N 3.35Å; L261-N263 PolarHBondContact O-N 3.42Å; L261-L264 HydrophobicContact CB-CB 4.06Å; L261-L264 HydrophobicContact CB-CD2 4.35Å; L261-L264 HydrophobicContact CD1-CD2 4.17Å; L261-L264 WeakPolarHBondContact O-CB 3.28Å; L261-L264 PolarHBondContact O-N 3.44Å; L261-L285 HydrophobicContact CB-CD2 4.2Å; L261-L285 WeakPolarHBondContact O-CD2 3.3Å
262	K	92.1	Very high	94.7	Very high	131 Å²	131	25.4 Å²	25.4	57%	0.57	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-15.2	-168.1	-59.7	-177.6	-177.1	-174.1	0	115.3	D259 D260	D259-K262 VanDerWaalsContact O-CE 3.26Å; D259-K262 WeakPolarHBondContact O-CE 3.1Å; D260-K262 PolarHBondContact O-N 3.31Å
263	N	96	Very high	94.8	Very high	60 Å²	60	26.5 Å²	26.5	32%	0.321	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109	18.4	176.2	-61.5	-62.1	0	0	0	113	V238 L240 R241 L261 E265 Q287	V238-N263 PolarHBondContact O-ND2 2.92Å; L240-N263 CarbonylContact O-C 3.48Å; L240-N263 VanDerWaalsContact O-C 3.27Å; R241-N263 WeakPolarHBondContact CA-O 3.29Å; R241-N263 WeakPolarHBondContact CG-O 3.17Å; L261-N263 PolarHBondContact O-N 3.42Å; N263-E265 PolarHBondContact O-N 3.04Å; N263-Q287 VanDerWaalsContact CA-OE1 3.3Å; N263-Q287 PolarHBondContact OD1-NE2 3.21Å; N263-Q287 PolarHBondContact OD1-OE1 2.96Å
264	L	96.9	Very high	94.8	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.133	C	C	.	.			trans	-74.3	118.6	-178.8	-166	73.5	0	0	0	111	L240 L243 L261 L267 L285 Q287 L288	L240-L264 HydrophobicContact CD2-CD1 4.33Å; L240-L264 HydrophobicContact CG-CD1 4.32Å; L240-L264 WeakPolarHBondContact O-CA 3.37Å; L240-L264 PolarHBondContact O-N 3.28Å; L243-L264 HydrophobicContact CB-CD1 3.84Å; L261-L264 HydrophobicContact CB-CB 4.06Å; L261-L264 HydrophobicContact CB-CD2 4.35Å; L261-L264 HydrophobicContact CD1-CD2 4.17Å; L261-L264 WeakPolarHBondContact O-CB 3.28Å; L261-L264 PolarHBondContact O-N 3.44Å; L264-L267 HydrophobicContact CD2-CB 4.03Å; L264-L267 HydrophobicContact CD2-CD1 4.39Å; L264-L267 HydrophobicContact CD2-CD2 4.48Å; L264-L285 HydrophobicContact CD2-CD1 4.46Å; L264-Q287 CarbonylContact O-C 3.3Å; L264-Q287 VanDerWaalsContact O-C 3.22Å; L264-L288 HydrophobicContact CD2-CD1 4.23Å; L264-L288 HydrophobicContact CG-CD1 4.22Å; L264-L288 WeakPolarHBondContact O-CA 3.36Å; L264-L288 PolarHBondContact O-N 3.44Å
265	E	95.1	Very high	94.8	Very high	39 Å²	39	32.6 Å²	32.6	18%	0.182	16%	0.156	C	C	.	.			trans	-96.3	-30.1	177.4	-60.3	170.3	-180	0	0	112.2	R241 N263 Q287 E289 R290	R241-E265 HydrophobicContact CB-CG 4.34Å; R241-E265 IonicContact CZ-OE1 3.63Å; R241-E265 IonicContact CZ-OE2 3.05Å; R241-E265 VanDerWaalsContact NE-CD 3.32Å; R241-E265 IonicContact NE-OE1 3.58Å; R241-E265 PolarHBondContact NE-OE1 3.16Å; R241-E265 IonicContact NE-OE2 2.84Å; R241-E265 PolarHBondContact NE-OE2 2.86Å; R241-E265 IonicContact NH2-OE1 2.76Å; R241-E265 PolarHBondContact NH2-OE1 2.94Å; R241-E265 IonicContact NH2-OE2 3.52Å; R241-E265 PolarHBondContact NH2-OE2 3.37Å; R241-E265 WeakPolarHBondContact O-CA 3.27Å; R241-E265 PolarHBondContact O-N 3.17Å; N263-E265 PolarHBondContact O-N 3.04Å; E265-Q287 WeakPolarHBondContact CA-O 3.26Å; E265-E289 PolarHBondContact O-N 3.07Å; E265-R290 PolarHBondContact O-N 2.95Å
266	E	94.7	Very high	94.9	Very high	19 Å²	19	34 Å²	34	9%	0.089	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	122.2	-171.2	-166	179.1	149.1	0	0	112.5	R241 K242 L243 W244 R290	R241-E266 PolarHBondContact O-N 2.84Å; K242-E266 WeakPolarHBondContact CA-O 3.49Å; K242-E266 HydrophobicContact CB-CB 4.15Å; K242-E266 HydrophobicContact CD-CB 4.49Å; K242-E266 WeakPolarHBondContact CD-OE2 3.35Å; K242-E266 HydrophobicContact CG-CB 3.9Å; L243-E266 PolarHBondContact N-O 2.87Å; W244-E266 PolarHBondContact NE1-OE1 2.82Å; E266-R290 VanDerWaalsContact CA-O 3.29Å; E266-R290 WeakPolarHBondContact CA-O 3.04Å; E266-R290 HydrophobicContact CG-CB 4.48Å; E266-R290 IonicContact OE1-NH1 2.68Å; E266-R290 IonicContact OE2-CZ 2.67Å; E266-R290 IonicContact OE2-NH1 3.22Å; E266-R290 PolarHBondContact OE2-NH1 3.3Å; E266-R290 IonicContact OE2-NH2 2.73Å; E266-R290 PolarHBondContact OE2-NH2 3.01Å
267	L	95.7	Very high	95	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	112.1	177.4	178.3	58.4	0	0	0	111.3	L243 F258 L264 L269 F282 L288 R290 V291 H292	L243-L267 HydrophobicContact CB-CD1 4.16Å; L243-L267 HydrophobicContact CD2-CD1 3.98Å; L243-L267 HydrophobicContact CG-CD1 4.05Å; F258-L267 HydrophobicContact CD2-CD2 4.23Å; F258-L267 HydrophobicContact CE2-CD2 3.85Å; F258-L267 HydrophobicContact CZ-CD1 4.24Å; F258-L267 HydrophobicContact CZ-CD2 4.3Å; L264-L267 HydrophobicContact CD2-CB 4.03Å; L264-L267 HydrophobicContact CD2-CD1 4.39Å; L264-L267 HydrophobicContact CD2-CD2 4.48Å; L267-L269 HydrophobicContact CD1-CD1 4.39Å; L267-L269 HydrophobicContact CD1-CD2 4.47Å; L267-L269 HydrophobicContact CD1-CG 4.08Å; L267-L269 HydrophobicContact CD2-CD1 3.96Å; L267-L269 HydrophobicContact CD2-CG 4.48Å; L267-L269 HydrophobicContact CG-CD1 4.1Å; L267-L269 HydrophobicContact CG-CG 4.09Å; L267-F282 HydrophobicContact CD2-CD1 4.46Å; L267-F282 HydrophobicContact CD2-CE1 3.7Å; L267-F282 HydrophobicContact CD2-CZ 4.27Å; L267-L288 HydrophobicContact CB-CD1 3.97Å; L267-R290 PolarHBondContact N-O 3.45Å; L267-V291 HydrophobicContact CB-CG1 4.31Å; L267-V291 HydrophobicContact CB-CG2 4.5Å; L267-V291 HydrophobicContact CG-CG1 4.44Å; L267-V291 CarbonylContact O-C 3.55Å; L267-V291 VanDerWaalsContact O-CA 3.29Å; L267-V291 WeakPolarHBondContact O-CA 3.31Å; L267-V291 WeakPolarHBondContact O-CG1 3.34Å; L267-H292 PolarHBondContact O-N 3.38Å
268	N	95.7	Very high	95	Very high	18 Å²	18	33.5 Å²	33.5	10%	0.096	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	103.6	177.8	-173	-6.7	0	0	0	111.6	L243 L245 S270 H292	L243-N268 PolarHBondContact O-N 3.46Å; L245-N268 CarbonylContact C-O 3.47Å; L245-N268 WeakPolarHBondContact CA-O 3.38Å; L245-N268 WeakPolarHBondContact CB-O 3.45Å; L245-N268 PolarHBondContact N-O 2.9Å; N268-S270 VanDerWaalsContact OD1-CB 3.31Å; N268-S270 WeakPolarHBondContact OD1-CB 3.44Å; N268-S270 PolarHBondContact OD1-N 2.56Å; N268-S270 PolarHBondContact OD1-OG 3.36Å; N268-H292 HydrophobicContact CB-CB 4.27Å; N268-H292 WeakPolarHBondContact OD1-CB 3.45Å
269	L	95.9	Very high	95	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.169	C	C	.	.			trans	-108.1	17.8	174.9	-68.6	168.1	0	0	0	111.9	I229 L245 I253 F258 L267 N272 L274 H292 L293 N296	I229-L269 HydrophobicContact CD1-CD2 4.25Å; L245-L269 HydrophobicContact CB-CD2 4.01Å; L245-L269 HydrophobicContact CD1-CD2 3.81Å; I253-L269 HydrophobicContact CD1-CD1 3.7Å; I253-L269 HydrophobicContact CD1-CD2 3.94Å; I253-L269 HydrophobicContact CD1-CG 4.49Å; F258-L269 HydrophobicContact CE2-CD1 4.36Å; F258-L269 HydrophobicContact CZ-CD1 4.47Å; L267-L269 HydrophobicContact CD1-CD1 4.39Å; L267-L269 HydrophobicContact CD1-CD2 4.47Å; L267-L269 HydrophobicContact CD1-CG 4.08Å; L267-L269 HydrophobicContact CD2-CD1 3.96Å; L267-L269 HydrophobicContact CD2-CG 4.48Å; L267-L269 HydrophobicContact CG-CD1 4.1Å; L267-L269 HydrophobicContact CG-CG 4.09Å; L269-N272 VanDerWaalsContact C-ND2 3.32Å; L269-N272 PolarHBondContact O-ND2 3.08Å; L269-L274 HydrophobicContact CB-CD1 4.1Å; L269-L274 HydrophobicContact CD1-CD1 4.36Å; L269-H292 CarbonylContact C-O 3.22Å; L269-H292 PolarHBondContact N-O 2.95Å; L269-L293 HydrophobicContact CB-CD2 4.13Å; L269-L293 HydrophobicContact CD1-CD2 4.15Å; L269-N296 PolarHBondContact O-ND2 2.85Å
270	S	95	Very high	95	Very high	4 Å²	4	35.8 Å²	35.8	3%	0.028	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	154.7	-173.3	68.4	0	0	0	0	113.3	M246 H247 N268 N272 H292 N294	M246-S270 VanDerWaalsContact CA-O 3.29Å; M246-S270 WeakPolarHBondContact CA-O 3.42Å; M246-S270 WeakPolarHBondContact CG-OG 3.34Å; H247-S270 PolarHBondContact N-O 2.85Å; H247-S270 VanDerWaalsContact N-O 3.12Å; N268-S270 VanDerWaalsContact OD1-CB 3.31Å; N268-S270 WeakPolarHBondContact OD1-CB 3.44Å; N268-S270 PolarHBondContact OD1-N 2.56Å; N268-S270 PolarHBondContact OD1-OG 3.36Å; S270-N272 VanDerWaalsContact C-N 3.32Å; S270-N272 PolarHBondContact O-N 2.88Å; S270-N272 PolarHBondContact O-ND2 2.9Å; S270-H292 PolarHBondContact N-O 3.5Å; S270-H292 VanDerWaalsContact N-O 3.09Å; S270-N294 VanDerWaalsContact CA-O 3.22Å; S270-N294 WeakPolarHBondContact CA-O 3.49Å; S270-N294 VanDerWaalsContact CB-O 3.32Å; S270-N294 WeakPolarHBondContact CB-O 3.46Å; S270-N294 VanDerWaalsContact CB-OD1 3.27Å; S270-N294 WeakPolarHBondContact CB-OD1 3.34Å
271	H	95.9	Very high	95.2	Very high	62 Å²	62	34.2 Å²	34.2	29%	0.287	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	37.9	-178.7	-58.2	-109.9	0	0	0	114.6	H247 N294 H295	H247-H271 WeakPolarHBondContact CA-O 3.27Å; H247-H271 VanDerWaalsContact CE1-CB 3.4Å; H247-H271 WeakPolarHBondContact CE1-CB 3.15Å; H247-H271 AromaticContact CE1-CG 3.58Å; H247-H271 AromaticContact CE1-ND1 3.42Å; H247-H271 PolarHBondContact CE1-ND1 2.91Å; H247-H271 WeakPolarHBondContact ND1-CB 3.37Å; H247-H271 AromaticContact NE2-CG 3.64Å; H247-H271 AromaticContact NE2-ND1 3.63Å; H271-N294 PolarHBondContact N-O 3.02Å; H271-H295 VanDerWaalsContact CA-O 3.31Å; H271-H295 WeakPolarHBondContact CA-O 3.39Å; H271-H295 HydrophobicContact CB-CB 4.32Å; H271-H295 AromaticContact CD2-ND1 3.57Å; H271-H295 AromaticContact CE1-CE1 3.66Å; H271-H295 AromaticContact CE1-CG 3.62Å; H271-H295 AromaticContact CE1-ND1 3.02Å; H271-H295 PolarHBondContact CE1-ND1 3.47Å; H271-H295 AromaticContact CG-ND1 3.97Å; H271-H295 AromaticContact ND1-CG 3.82Å; H271-H295 AromaticContact ND1-ND1 3.65Å; H271-H295 AromaticContact NE2-CE1 3.67Å; H271-H295 AromaticContact NE2-CG 3.78Å; H271-H295 AromaticContact NE2-ND1 2.88Å; H271-H295 PolarHBondContact NE2-ND1 3.25Å
272	N	97.6	Very high	95.2	Very high	9 Å²	9	34.3 Å²	34.3	5%	0.048	17%	0.168	C	C	.	.	S	Bend	trans	-107.1	-172	172.3	-76.1	-66.1	0	0	0	111.2	L245 S248 Q249 V250 L269 S270 L274 N296	L245-N272 PolarHBondContact O-ND2 3.05Å; S248-N272 PolarHBondContact N-OD1 3.45Å; Q249-N272 PolarHBondContact N-OD1 2.91Å; V250-N272 HydrophobicContact CB-CB 4.18Å; V250-N272 PolarHBondContact N-OD1 3.44Å; L269-N272 VanDerWaalsContact C-ND2 3.32Å; L269-N272 PolarHBondContact O-ND2 3.08Å; S270-N272 VanDerWaalsContact C-N 3.32Å; S270-N272 PolarHBondContact O-N 2.88Å; S270-N272 PolarHBondContact O-ND2 2.9Å; N272-L274 HydrophobicContact CB-CG 4.21Å; N272-N296 VanDerWaalsContact CA-OD1 3.27Å; N272-N296 WeakPolarHBondContact CA-OD1 3.41Å; N272-N296 WeakPolarHBondContact CB-OD1 3.47Å; N272-N296 PolarHBondContact N-OD1 3.23Å; N272-N296 PolarHBondContact O-OD1 2.87Å; N272-N296 VanDerWaalsContact O-OD1 3.06Å
273	S	96.8	Very high	95.1	Very high	62 Å²	62	31.5 Å²	31.5	43%	0.434	16%	0.162	S	C	.	.			trans	-101.7	15	-177.1	-60.4	0	0	0	0	113.1	V250 R275 P297	V250-S273 CarbonylContact O-C 3.54Å; V250-S273 WeakPolarHBondContact O-CA 3.36Å; V250-S273 WeakPolarHBondContact O-CB 3.25Å; V250-S273 PolarHBondContact O-N 2.96Å; S273-R275 PolarHBondContact O-N 3.04Å; S273-P297 WeakPolarHBondContact O-CG 3.34Å
274	L	96	Very high	94.9	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.158	C	C	.	.			trans	-64	129.2	-172.5	-59.1	171.9	0	0	0	112.1	V250 I253 L269 N272 L277 N296 P297 W298	V250-L274 HydrophobicContact CB-CD2 4.29Å; V250-L274 HydrophobicContact CG1-CD2 3.79Å; V250-L274 PolarHBondContact O-N 3.09Å; I253-L274 HydrophobicContact CD1-CD1 4.29Å; I253-L274 HydrophobicContact CD1-CD2 4.28Å; I253-L274 HydrophobicContact CG1-CD2 3.92Å; L269-L274 HydrophobicContact CB-CD1 4.1Å; L269-L274 HydrophobicContact CD1-CD1 4.36Å; N272-L274 HydrophobicContact CB-CG 4.21Å; L274-L277 HydrophobicContact CD1-CD2 4.29Å; L274-N296 HydrophobicContact CB-CB 4.19Å; L274-N296 VanDerWaalsContact CB-OD1 3.32Å; L274-N296 WeakPolarHBondContact CB-OD1 3.47Å; L274-N296 WeakPolarHBondContact CG-OD1 3.29Å; L274-N296 PolarHBondContact N-OD1 3.15Å; L274-N296 VanDerWaalsContact N-OD1 3.13Å; L274-P297 CarbonylContact O-C 3.59Å; L274-P297 WeakPolarHBondContact O-CD 3.48Å; L274-P297 WeakPolarHBondContact O-CG 3.22Å; L274-W298 HydrophobicContact CB-CH2 3.7Å; L274-W298 HydrophobicContact CB-CZ2 4.32Å; L274-W298 HydrophobicContact CB-CZ3 3.86Å; L274-W298 HydrophobicContact CD1-CH2 3.9Å; L274-W298 HydrophobicContact CD1-CZ2 4.43Å; L274-W298 HydrophobicContact CG-CH2 4.46Å
275	R	95.3	Very high	94.7	Very high	177 Å²	177	30.6 Å²	30.6	67%	0.668	16%	0.159	S	C	*	.	S	Bend	trans	-97.9	-33.2	174.3	-62.9	-174.8	-178.5	-158.8	1.2	112.7	S273 P297 W298 A299	S273-R275 PolarHBondContact O-N 3.04Å; R275-P297 HydrophobicContact CG-CG 4.41Å; R275-W298 WeakPolarHBondContact O-CA 3.05Å; R275-A299 HydrophobicContact CB-CB 4.48Å; R275-A299 PolarHBondContact O-N 2.66Å
276	S	94.6	Very high	94.5	Very high	39 Å²	39	36.6 Å²	36.6	27%	0.273	19%	0.187	S	C	.	.			trans	-156.6	171.5	-178.7	50.9	0	0	0	0	109.2	T376	S276-T376 VanDerWaalsContact OG-CG2 3.23Å; S276-T376 WeakPolarHBondContact OG-CG2 3.41Å
277	L	95.4	Very high	94.5	Very high	4 Å²	4	39.9 Å²	39.9	2%	0.021	20%	0.202	C	C	.	.			trans	-124.7	147.9	172.5	-67.9	178.5	0	0	0	109.1	I253 L274 L281 F282 W298 W306 L307	I253-L277 HydrophobicContact CB-CD2 4.47Å; I253-L277 HydrophobicContact CD1-CD2 3.82Å; I253-L277 HydrophobicContact CG1-CD2 4.33Å; L274-L277 HydrophobicContact CD1-CD2 4.29Å; L277-L281 HydrophobicContact CB-CD2 4.27Å; L277-L281 HydrophobicContact CD1-CD2 4.39Å; L277-L281 HydrophobicContact CD2-CD2 4.02Å; L277-L281 HydrophobicContact CG-CD2 4.46Å; L277-F282 HydrophobicContact CD1-CE1 4.37Å; L277-F282 HydrophobicContact CD1-CE2 4.02Å; L277-F282 HydrophobicContact CD1-CZ 3.58Å; L277-W298 HydrophobicContact CD1-CH2 4.13Å; L277-W298 HydrophobicContact CD2-CH2 4.18Å; L277-W298 HydrophobicContact CD2-CZ3 4.44Å; L277-W298 HydrophobicContact CG-CH2 3.85Å; L277-W298 HydrophobicContact CG-CZ3 3.91Å; L277-W306 HydrophobicContact CB-CZ2 3.87Å; L277-L307 HydrophobicContact CD1-CD2 4.22Å
278	P	95.1	Very high	94.3	Very high	8 Å²	8	40.1 Å²	40.1	5%	0.052	20%	0.203	C	C	.	.			trans	-50.7	140.8	166.4	-26.8	33.2	0	0	0	112.4	I253 R255 L281 W306 T376	I253-P278 VanDerWaalsContact O-CD 3.3Å; I253-P278 WeakPolarHBondContact O-CD 3.43Å; I253-P278 WeakPolarHBondContact O-CG 3.17Å; R255-P278 HydrophobicContact CG-CB 4.48Å; P278-L281 VanDerWaalsContact O-CB 3.31Å; P278-L281 WeakPolarHBondContact O-CB 3.34Å; P278-L281 PolarHBondContact O-N 2.97Å; P278-W306 WeakPolarHBondContact O-CZ2 3.31Å; P278-T376 CarbonylContact C-O 3.53Å; P278-T376 WeakPolarHBondContact CA-O 3.34Å
279	H	94.6	Very high	93.9	Very high	23 Å²	23	45.1 Å²	45.1	11%	0.106	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	134.5	175.3	178.9	38.7	0	0	0	111.1	L281 W306 T376 T424 N425	H279-L281 PolarHBondContact O-N 2.98Å; H279-W306 AromaticContact ND1-CD1 3.8Å; H279-W306 AromaticContact ND1-CG 3.64Å; H279-T376 WeakPolarHBondContact CB-O 3.41Å; H279-T376 PolarHBondContact N-O 2.85Å; H279-T424 VanDerWaalsContact CD2-C 3.41Å; H279-T424 PolarHBondContact CD2-O 2.95Å; H279-T424 VanDerWaalsContact CD2-O 3.27Å; H279-T424 PolarHBondContact CD2-OG1 2.86Å; H279-T424 PolarHBondContact NE2-OG1 2.88Å; H279-N425 VanDerWaalsContact CD2-CA 3.41Å; H279-N425 WeakPolarHBondContact CD2-CA 3.04Å; H279-N425 VanDerWaalsContact NE2-C 3.31Å; H279-N425 WeakPolarHBondContact NE2-CA 3.45Å
280	D	92.1	Very high	93.5	Very high	60 Å²	60	49 Å²	49	32%	0.321	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.8	19	177.5	-61.4	-11.7	0	0	0	115.3	F282 T283 P284	D280-F282 PolarHBondContact O-N 2.68Å; D280-T283 WeakPolarHBondContact CA-OG1 3.38Å; D280-T283 WeakPolarHBondContact CB-OG1 3.39Å; D280-T283 WeakPolarHBondContact O-CB 3.48Å; D280-T283 PolarHBondContact O-N 2.83Å; D280-T283 PolarHBondContact O-OG1 3.16Å; D280-P284 WeakPolarHBondContact O-CD 3.31Å
281	L	94.8	Very high	93.4	Very high	4 Å²	4	49 Å²	49	2%	0.021	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-27.2	178.3	-179.4	67.6	0	0	0	114	I253 F258 L277 P278 H279 W306	I253-L281 HydrophobicContact CG2-CD1 4.37Å; I253-L281 HydrophobicContact CG2-CD2 4.03Å; F258-L281 HydrophobicContact CD2-CD1 3.8Å; F258-L281 HydrophobicContact CD2-CD2 3.95Å; F258-L281 HydrophobicContact CD2-CG 3.84Å; F258-L281 HydrophobicContact CE2-CD1 4.46Å; F258-L281 HydrophobicContact CE2-CD2 3.93Å; F258-L281 HydrophobicContact CE2-CG 4.34Å; F258-L281 HydrophobicContact CG-CD1 4.47Å; L277-L281 HydrophobicContact CB-CD2 4.27Å; L277-L281 HydrophobicContact CD1-CD2 4.39Å; L277-L281 HydrophobicContact CD2-CD2 4.02Å; L277-L281 HydrophobicContact CG-CD2 4.46Å; P278-L281 VanDerWaalsContact O-CB 3.31Å; P278-L281 WeakPolarHBondContact O-CB 3.34Å; P278-L281 PolarHBondContact O-N 2.97Å; H279-L281 PolarHBondContact O-N 2.98Å; L281-W306 HydrophobicContact CB-CH2 4.06Å; L281-W306 HydrophobicContact CB-CZ2 4.32Å
282	F	93.7	Very high	93.2	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.009	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-8.1	178.5	-55.5	-27.8	0	0	0	113.8	L267 L277 D280 L285 L288 V291 L293 W306 L307 W310	L267-F282 HydrophobicContact CD2-CD1 4.46Å; L267-F282 HydrophobicContact CD2-CE1 3.7Å; L267-F282 HydrophobicContact CD2-CZ 4.27Å; L277-F282 HydrophobicContact CD1-CE1 4.37Å; L277-F282 HydrophobicContact CD1-CE2 4.02Å; L277-F282 HydrophobicContact CD1-CZ 3.58Å; D280-F282 PolarHBondContact O-N 2.68Å; F282-L285 HydrophobicContact CD1-CD1 4.07Å; F282-L285 WeakPolarHBondContact O-CB 3.45Å; F282-L285 PolarHBondContact O-N 3.38Å; F282-L288 HydrophobicContact CB-CD2 4.21Å; F282-L288 HydrophobicContact CD1-CD2 4.08Å; F282-L288 HydrophobicContact CG-CD2 4.07Å; F282-V291 HydrophobicContact CE2-CG1 4.39Å; F282-V291 HydrophobicContact CZ-CG1 4.23Å; F282-L293 HydrophobicContact CE2-CD1 4.42Å; F282-W306 HydrophobicContact CB-CH2 4.48Å; F282-W306 HydrophobicContact CB-CZ3 4.22Å; F282-W306 AromaticContact CD2-CH2 3.82Å; F282-W306 HydrophobicContact CD2-CH2 3.82Å; F282-W306 AromaticContact CD2-CZ3 3.99Å; F282-W306 HydrophobicContact CD2-CZ3 3.99Å; F282-W306 HydrophobicContact CE2-CH2 4.2Å; F282-W306 HydrophobicContact CG-CH2 4.08Å; F282-W306 HydrophobicContact CG-CZ3 4.25Å; F282-L307 HydrophobicContact CD2-CD1 4.18Å; F282-L307 HydrophobicContact CE2-CD1 3.74Å; F282-W310 HydrophobicContact CB-CD2 4.3Å; F282-W310 HydrophobicContact CB-CZ2 4.15Å; F282-W310 AromaticContact CD2-CD2 3.89Å; F282-W310 HydrophobicContact CD2-CD2 3.89Å; F282-W310 AromaticContact CD2-CE3 3.86Å; F282-W310 HydrophobicContact CD2-CE3 3.86Å; F282-W310 HydrophobicContact CD2-CH2 4.31Å; F282-W310 HydrophobicContact CD2-CZ2 4.28Å; F282-W310 HydrophobicContact CD2-CZ3 4.09Å; F282-W310 HydrophobicContact CE2-CE3 4.42Å; F282-W310 HydrophobicContact CE2-CZ3 4.46Å
283	T	90.1	Very high	93	Very high	72 Å²	72	48.4 Å²	48.4	44%	0.442	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-35.3	-176.5	-55.2	0	0	0	0	113.6	D280 L285 H286	D280-T283 WeakPolarHBondContact CA-OG1 3.38Å; D280-T283 WeakPolarHBondContact CB-OG1 3.39Å; D280-T283 WeakPolarHBondContact O-CB 3.48Å; D280-T283 PolarHBondContact O-N 2.83Å; D280-T283 PolarHBondContact O-OG1 3.16Å; T283-L285 VanDerWaalsContact C-N 3.25Å; T283-L285 PolarHBondContact O-N 3.46Å; T283-H286 PolarHBondContact O-CE1 2.85Å; T283-H286 PolarHBondContact O-ND1 3.33Å; T283-H286 VanDerWaalsContact O-ND1 3.12Å
284	P	91.5	Very high	92.8	Very high	36 Å²	36	47 Å²	47	23%	0.234	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-12.8	171	-20.1	33.7	0	0	0	115.1	D280 H286	D280-P284 WeakPolarHBondContact O-CD 3.31Å; P284-H286 PolarHBondContact O-N 2.92Å
285	L	93.3	Very high	92.7	Very high	5 Å²	5	53 Å²	53	3%	0.026	25%	0.252	C	S	.	.			trans	-94.8	62.5	-168.6	-52.9	-179.1	0	0	0	110.8	F258 L261 L264 F282 T283 Q287 L288	F258-L285 HydrophobicContact CB-CD1 4.05Å; F258-L285 HydrophobicContact CB-CD2 4.39Å; F258-L285 WeakPolarHBondContact O-CD2 3.38Å; L261-L285 HydrophobicContact CB-CD2 4.2Å; L261-L285 WeakPolarHBondContact O-CD2 3.3Å; L264-L285 HydrophobicContact CD2-CD1 4.46Å; F282-L285 HydrophobicContact CD1-CD1 4.07Å; F282-L285 WeakPolarHBondContact O-CB 3.45Å; F282-L285 PolarHBondContact O-N 3.38Å; T283-L285 VanDerWaalsContact C-N 3.25Å; T283-L285 PolarHBondContact O-N 3.46Å; L285-Q287 PolarHBondContact O-N 2.81Å; L285-L288 HydrophobicContact CB-CB 3.92Å; L285-L288 HydrophobicContact CB-CD2 4.1Å; L285-L288 HydrophobicContact CD1-CD2 3.83Å; L285-L288 WeakPolarHBondContact O-CB 3.45Å; L285-L288 PolarHBondContact O-N 3.22Å
286	H	91.6	Very high	92.8	Very high	165 Å²	165	45 Å²	45	76%	0.764	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-7	-169.7	-50.4	-42.5	0	0	0	116.1	T283 P284	T283-H286 PolarHBondContact O-CE1 2.85Å; T283-H286 PolarHBondContact O-ND1 3.33Å; T283-H286 VanDerWaalsContact O-ND1 3.12Å; P284-H286 PolarHBondContact O-N 2.92Å
287	Q	93.3	Very high	92.9	Very high	87 Å²	87	45.3 Å²	45.3	41%	0.407	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	4.5	175.7	-67.4	178.2	23	0	0	113.3	N263 L264 E265 L285 E289	N263-Q287 VanDerWaalsContact CA-OE1 3.3Å; N263-Q287 PolarHBondContact OD1-NE2 3.21Å; N263-Q287 PolarHBondContact OD1-OE1 2.96Å; L264-Q287 CarbonylContact O-C 3.3Å; L264-Q287 VanDerWaalsContact O-C 3.22Å; E265-Q287 WeakPolarHBondContact CA-O 3.26Å; L285-Q287 PolarHBondContact O-N 2.81Å; Q287-E289 PolarHBondContact O-N 2.84Å
288	L	92.3	Very high	92.9	Very high	6 Å²	6	45.2 Å²	45.2	3%	0.031	22%	0.224	C	C	.	.			trans	-78.6	86.4	-169.6	-172.1	62.2	0	0	0	113.1	L264 L267 F282 L285 V291 W310 T314	L264-L288 HydrophobicContact CD2-CD1 4.23Å; L264-L288 HydrophobicContact CG-CD1 4.22Å; L264-L288 WeakPolarHBondContact O-CA 3.36Å; L264-L288 PolarHBondContact O-N 3.44Å; L267-L288 HydrophobicContact CB-CD1 3.97Å; F282-L288 HydrophobicContact CB-CD2 4.21Å; F282-L288 HydrophobicContact CD1-CD2 4.08Å; F282-L288 HydrophobicContact CG-CD2 4.07Å; L285-L288 HydrophobicContact CB-CB 3.92Å; L285-L288 HydrophobicContact CB-CD2 4.1Å; L285-L288 HydrophobicContact CD1-CD2 3.83Å; L285-L288 WeakPolarHBondContact O-CB 3.45Å; L285-L288 PolarHBondContact O-N 3.22Å; L288-V291 HydrophobicContact CD1-CG2 3.96Å; L288-V291 HydrophobicContact CD2-CG2 3.62Å; L288-V291 HydrophobicContact CG-CG2 3.65Å; L288-W310 HydrophobicContact CB-CZ2 4.38Å; L288-W310 HydrophobicContact CD2-CH2 4.17Å; L288-W310 HydrophobicContact CD2-CZ2 4.02Å; L288-W310 HydrophobicContact CG-CH2 4.25Å; L288-W310 HydrophobicContact CG-CZ2 4.21Å; L288-T314 WeakPolarHBondContact O-CG2 3.47Å
289	E	87.1	Confident	92.9	Very high	122 Å²	122	46.4 Å²	46.4	57%	0.57	23%	0.234	S	C	*	.			trans	-76.1	-34.3	178.8	-61.8	-178.3	163.7	0	0	113.9	E265 Q287	E265-E289 PolarHBondContact O-N 3.07Å; Q287-E289 PolarHBondContact O-N 2.84Å
290	R	88.5	Confident	92.9	Very high	81 Å²	81	45.4 Å²	45.4	31%	0.306	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	113.7	-163.6	-66.5	178.2	-63.5	109.3	9.4	112.5	E265 E266 L267	E265-R290 PolarHBondContact O-N 2.95Å; E266-R290 VanDerWaalsContact CA-O 3.29Å; E266-R290 WeakPolarHBondContact CA-O 3.04Å; E266-R290 HydrophobicContact CG-CB 4.48Å; E266-R290 IonicContact OE1-NH1 2.68Å; E266-R290 IonicContact OE2-CZ 2.67Å; E266-R290 IonicContact OE2-NH1 3.22Å; E266-R290 PolarHBondContact OE2-NH1 3.3Å; E266-R290 IonicContact OE2-NH2 2.73Å; E266-R290 PolarHBondContact OE2-NH2 3.01Å; L267-R290 PolarHBondContact N-O 3.45Å
291	V	91.4	Very high	92.9	Very high	4 Å²	4	45.6 Å²	45.6	2%	0.024	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	135.8	178.2	-167.4	0	0	0	0	110.5	L267 F282 L288 L293 W310 C321	L267-V291 HydrophobicContact CB-CG1 4.31Å; L267-V291 HydrophobicContact CB-CG2 4.5Å; L267-V291 HydrophobicContact CG-CG1 4.44Å; L267-V291 CarbonylContact O-C 3.55Å; L267-V291 VanDerWaalsContact O-CA 3.29Å; L267-V291 WeakPolarHBondContact O-CA 3.31Å; L267-V291 WeakPolarHBondContact O-CG1 3.34Å; F282-V291 HydrophobicContact CE2-CG1 4.39Å; F282-V291 HydrophobicContact CZ-CG1 4.23Å; L288-V291 HydrophobicContact CD1-CG2 3.96Å; L288-V291 HydrophobicContact CD2-CG2 3.62Å; L288-V291 HydrophobicContact CG-CG2 3.65Å; V291-L293 HydrophobicContact CG1-CD1 4.31Å; V291-L293 HydrophobicContact CG1-CD2 3.64Å; V291-L293 HydrophobicContact CG1-CG 3.71Å; V291-W310 HydrophobicContact CB-CH2 4.5Å; V291-W310 HydrophobicContact CB-CZ3 4.44Å; V291-W310 HydrophobicContact CG2-CH2 3.5Å; V291-W310 VanDerWaalsContact CG2-CH2 3.5Å; V291-W310 HydrophobicContact CG2-CZ3 3.87Å; V291-C321 PolarHBondContact O-SG 2.89Å; V291-C321 VanDerWaalsContact O-SG 3.33Å
292	H	92.6	Very high	92.8	Very high	60 Å²	60	47 Å²	47	28%	0.278	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	104.9	174.5	-52.9	152.5	0	0	0	110.1	L267 N268 L269 S270	L267-H292 PolarHBondContact O-N 3.38Å; N268-H292 HydrophobicContact CB-CB 4.27Å; N268-H292 WeakPolarHBondContact OD1-CB 3.45Å; L269-H292 CarbonylContact C-O 3.22Å; L269-H292 PolarHBondContact N-O 2.95Å; S270-H292 PolarHBondContact N-O 3.5Å; S270-H292 VanDerWaalsContact N-O 3.09Å
293	L	93.1	Very high	92.7	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.246	C	C	.	.			trans	-111.6	4.5	-177.7	-63.1	-175	0	0	0	113.6	L269 F282 V291 N296 W298 L307 A323	L269-L293 HydrophobicContact CB-CD2 4.13Å; L269-L293 HydrophobicContact CD1-CD2 4.15Å; F282-L293 HydrophobicContact CE2-CD1 4.42Å; V291-L293 HydrophobicContact CG1-CD1 4.31Å; V291-L293 HydrophobicContact CG1-CD2 3.64Å; V291-L293 HydrophobicContact CG1-CG 3.71Å; L293-N296 PolarHBondContact O-ND2 3.41Å; L293-W298 HydrophobicContact CB-CZ2 3.89Å; L293-W298 HydrophobicContact CD1-CZ2 4.42Å; L293-W298 HydrophobicContact CD2-CH2 4.5Å; L293-W298 HydrophobicContact CD2-CZ2 4.13Å; L293-W298 HydrophobicContact CG-CZ2 4.36Å; L293-W298 PolarHBondContact O-NE1 2.7Å; L293-L307 HydrophobicContact CD1-CD1 3.89Å; L293-L307 HydrophobicContact CD1-CD2 4.08Å; L293-L307 HydrophobicContact CD1-CG 4.47Å; L293-A323 HydrophobicContact CB-CB 3.86Å
294	N	92.3	Very high	92.9	Very high	31 Å²	31	44.9 Å²	44.9	17%	0.166	23%	0.227	C	C	.	.			trans	-65.4	156.2	-178.5	57.3	-68.6	0	0	0	113	S270 H271 N296	S270-N294 VanDerWaalsContact CA-O 3.22Å; S270-N294 WeakPolarHBondContact CA-O 3.49Å; S270-N294 VanDerWaalsContact CB-O 3.32Å; S270-N294 WeakPolarHBondContact CB-O 3.46Å; S270-N294 VanDerWaalsContact CB-OD1 3.27Å; S270-N294 WeakPolarHBondContact CB-OD1 3.34Å; H271-N294 PolarHBondContact N-O 3.02Å; N294-N296 VanDerWaalsContact C-N 3.35Å; N294-N296 PolarHBondContact O-N 2.84Å; N294-N296 PolarHBondContact O-ND2 3.41Å
295	H	94.6	Very high	92.9	Very high	126 Å²	126	43.2 Å²	43.2	58%	0.583	22%	0.216	S	C	*	.	S	Bend	trans	56.7	40.1	-179	-54.4	121.1	0	0	0	114.9	H271	H271-H295 VanDerWaalsContact CA-O 3.31Å; H271-H295 WeakPolarHBondContact CA-O 3.39Å; H271-H295 HydrophobicContact CB-CB 4.32Å; H271-H295 AromaticContact CD2-ND1 3.57Å; H271-H295 AromaticContact CE1-CE1 3.66Å; H271-H295 AromaticContact CE1-CG 3.62Å; H271-H295 AromaticContact CE1-ND1 3.02Å; H271-H295 PolarHBondContact CE1-ND1 3.47Å; H271-H295 AromaticContact CG-ND1 3.97Å; H271-H295 AromaticContact ND1-CG 3.82Å; H271-H295 AromaticContact ND1-ND1 3.65Å; H271-H295 AromaticContact NE2-CE1 3.67Å; H271-H295 AromaticContact NE2-CG 3.78Å; H271-H295 AromaticContact NE2-ND1 2.88Å; H271-H295 PolarHBondContact NE2-ND1 3.25Å
296	N	96.4	Very high	92.9	Very high	11 Å²	11	43.5 Å²	43.5	6%	0.059	22%	0.217	C	C	.	.	S	Bend	trans	-114.6	147.8	166.6	-78.4	-81.4	0	0	0	110	L269 N272 L274 L293 N294 W298	L269-N296 PolarHBondContact O-ND2 2.85Å; N272-N296 VanDerWaalsContact CA-OD1 3.27Å; N272-N296 WeakPolarHBondContact CA-OD1 3.41Å; N272-N296 WeakPolarHBondContact CB-OD1 3.47Å; N272-N296 PolarHBondContact N-OD1 3.23Å; N272-N296 PolarHBondContact O-OD1 2.87Å; N272-N296 VanDerWaalsContact O-OD1 3.06Å; L274-N296 HydrophobicContact CB-CB 4.19Å; L274-N296 VanDerWaalsContact CB-OD1 3.32Å; L274-N296 WeakPolarHBondContact CB-OD1 3.47Å; L274-N296 WeakPolarHBondContact CG-OD1 3.29Å; L274-N296 PolarHBondContact N-OD1 3.15Å; L274-N296 VanDerWaalsContact N-OD1 3.13Å; L293-N296 PolarHBondContact O-ND2 3.41Å; N294-N296 VanDerWaalsContact C-N 3.35Å; N294-N296 PolarHBondContact O-N 2.84Å; N294-N296 PolarHBondContact O-ND2 3.41Å; N296-W298 HydrophobicContact CB-CD2 4.14Å; N296-W298 HydrophobicContact CB-CG 4.4Å; N296-W298 HydrophobicContact CB-CZ2 3.75Å; N296-W298 PolarHBondContact O-N 2.79Å
297	P	96.4	Very high	93	Very high	45 Å²	45	35.8 Å²	35.8	29%	0.292	18%	0.181	S	C	.	.			trans	-78.1	56.3	-179.6	34.5	-38.7	0	0	0	113.7	S273 L274 R275 A299 H326	S273-P297 WeakPolarHBondContact O-CG 3.34Å; L274-P297 CarbonylContact O-C 3.59Å; L274-P297 WeakPolarHBondContact O-CD 3.48Å; L274-P297 WeakPolarHBondContact O-CG 3.22Å; R275-P297 HydrophobicContact CG-CG 4.41Å; P297-A299 PolarHBondContact O-N 2.73Å; P297-H326 HydrophobicContact CB-CB 4.41Å
298	W	96.1	Very high	92.9	Very high	1 Å²	1	31.7 Å²	31.7	0%	0.004	16%	0.162	C	C	.	.			trans	-55.6	129.5	-174.2	-63.3	115.1	0	0	0	114	L274 R275 L277 L293 N296 H326 A327 I336	L274-W298 HydrophobicContact CB-CH2 3.7Å; L274-W298 HydrophobicContact CB-CZ2 4.32Å; L274-W298 HydrophobicContact CB-CZ3 3.86Å; L274-W298 HydrophobicContact CD1-CH2 3.9Å; L274-W298 HydrophobicContact CD1-CZ2 4.43Å; L274-W298 HydrophobicContact CG-CH2 4.46Å; R275-W298 WeakPolarHBondContact O-CA 3.05Å; L277-W298 HydrophobicContact CD1-CH2 4.13Å; L277-W298 HydrophobicContact CD2-CH2 4.18Å; L277-W298 HydrophobicContact CD2-CZ3 4.44Å; L277-W298 HydrophobicContact CG-CH2 3.85Å; L277-W298 HydrophobicContact CG-CZ3 3.91Å; L293-W298 HydrophobicContact CB-CZ2 3.89Å; L293-W298 HydrophobicContact CD1-CZ2 4.42Å; L293-W298 HydrophobicContact CD2-CH2 4.5Å; L293-W298 HydrophobicContact CD2-CZ2 4.13Å; L293-W298 HydrophobicContact CG-CZ2 4.36Å; L293-W298 PolarHBondContact O-NE1 2.7Å; N296-W298 HydrophobicContact CB-CD2 4.14Å; N296-W298 HydrophobicContact CB-CG 4.4Å; N296-W298 HydrophobicContact CB-CZ2 3.75Å; N296-W298 PolarHBondContact O-N 2.79Å; W298-H326 PolarHBondContact O-N 3.28Å; W298-A327 PolarHBondContact O-N 3.17Å; W298-A327 VanDerWaalsContact O-N 3.12Å; W298-I336 HydrophobicContact CB-CD1 3.92Å; W298-I336 HydrophobicContact CD2-CD1 4.03Å; W298-I336 HydrophobicContact CG-CD1 3.61Å
299	A	95.6	Very high	92.8	Very high	33 Å²	33	35.9 Å²	35.9	27%	0.273	18%	0.178	S	C	.	.	B	Isolated β-bridge	trans	-98.1	99.2	171.7	0	0	0	0	0	109.1	R275 P297 N301	R275-A299 HydrophobicContact CB-CB 4.48Å; R275-A299 PolarHBondContact O-N 2.66Å; P297-A299 PolarHBondContact O-N 2.73Å; A299-N301 PolarHBondContact O-N 2.82Å; A299-N301 PolarHBondContact O-OD1 3.06Å
300	C	94.8	Very high	93	Very high	3 Å²	3	31.5 Å²	31.5	2%	0.02	16%	0.156	C	C	.	.			trans	-79.7	88.9	-179.3	-65.3	0	0	0	0	110.4	V304 C325 A327 P328 L331 L339 F344	C300-V304 HydrophobicContact CB-CG1 4.08Å; C300-C325 HydrophobicContact CB-CB 3.86Å; C300-C325 WeakPolarHBondContact CB-SG 3.4Å; C300-C325 WeakPolarHBondContact SG-CA 3.32Å; C300-C325 WeakPolarHBondContact SG-CB 3.22Å; C300-C325 CovalentContact SG-SG 2.03Å; C300-C325 PolarHBondContact SG-SG 2.93Å; C300-A327 PolarHBondContact N-O 2.76Å; C300-P328 WeakPolarHBondContact O-CD 3.26Å; C300-L331 HydrophobicContact CB-CD1 4.18Å; C300-L339 HydrophobicContact CB-CD1 3.99Å; C300-F344 WeakPolarHBondContact O-CE1 3.38Å
301	N	92.6	Very high	93	Very high	63 Å²	63	28.2 Å²	28.2	34%	0.337	14%	0.144	S	C	.	.	S	Bend	trans	-116	-166.5	169.1	69.8	-13.5	0	0	0	109.5	A299 D303 V304	A299-N301 PolarHBondContact O-N 2.82Å; A299-N301 PolarHBondContact O-OD1 3.06Å; N301-D303 PolarHBondContact ND2-OD2 3.07Å; N301-D303 PolarHBondContact O-N 3.33Å; N301-D303 VanDerWaalsContact O-N 3.16Å; N301-D303 VanDerWaalsContact OD1-CB 3.25Å; N301-D303 WeakPolarHBondContact OD1-CB 3.4Å; N301-D303 PolarHBondContact OD1-N 3.23Å; N301-V304 WeakPolarHBondContact O-CG1 3.4Å; N301-V304 PolarHBondContact O-N 3.12Å; N301-V304 VanDerWaalsContact O-N 3.09Å
302	C	92	Very high	92.8	Very high	34 Å²	34	35.2 Å²	35.2	23%	0.23	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-55.1	-28.5	174.3	-66.5	0	0	0	0	114.5	V304 L305 C346	C302-V304 PolarHBondContact O-N 3.31Å; C302-L305 WeakPolarHBondContact O-CB 3.31Å; C302-L305 PolarHBondContact O-N 3.04Å; C302-C346 HydrophobicContact CB-CB 3.83Å; C302-C346 WeakPolarHBondContact CB-SG 3.31Å; C302-C346 WeakPolarHBondContact SG-CA 3.4Å; C302-C346 WeakPolarHBondContact SG-CB 3.37Å; C302-C346 CovalentContact SG-SG 2.03Å; C302-C346 PolarHBondContact SG-SG 3.07Å
303	D	92.4	Very high	92.5	Very high	24 Å²	24	40.6 Å²	40.6	13%	0.128	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-70.5	-16.1	-179.3	-48.9	-27.3	0	0	0	112.5	N301 W306 T376	N301-D303 PolarHBondContact ND2-OD2 3.07Å; N301-D303 PolarHBondContact O-N 3.33Å; N301-D303 VanDerWaalsContact O-N 3.16Å; N301-D303 VanDerWaalsContact OD1-CB 3.25Å; N301-D303 WeakPolarHBondContact OD1-CB 3.4Å; N301-D303 PolarHBondContact OD1-N 3.23Å; D303-W306 PolarHBondContact O-NE1 3.08Å; D303-T376 HydrophobicContact CB-CG2 4.19Å; D303-T376 PolarHBondContact OD1-OG1 2.96Å; D303-T376 PolarHBondContact OD2-OG1 3.37Å
304	V	93	Very high	91.9	Very high	6 Å²	6	43.2 Å²	43.2	4%	0.036	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-86.3	-10.7	178	97.7	0	0	0	0	113.2	C300 N301 C302 L307 S308 I336 L339	C300-V304 HydrophobicContact CB-CG1 4.08Å; N301-V304 WeakPolarHBondContact O-CG1 3.4Å; N301-V304 PolarHBondContact O-N 3.12Å; N301-V304 VanDerWaalsContact O-N 3.09Å; C302-V304 PolarHBondContact O-N 3.31Å; V304-L307 HydrophobicContact CG2-CD2 4.28Å; V304-L307 WeakPolarHBondContact O-CB 3.26Å; V304-L307 PolarHBondContact O-N 3.21Å; V304-S308 PolarHBondContact O-N 3.39Å; V304-I336 HydrophobicContact CG2-CD1 4.03Å; V304-I336 HydrophobicContact CG2-CG2 3.81Å; V304-L339 HydrophobicContact CG1-CD1 3.63Å
305	L	91.9	Very high	91	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-64.6	-44.6	-172.1	-80.1	172.5	0	0	0	113.2	C302 L307 S308 W309 Q341 F344 A426	C302-L305 WeakPolarHBondContact O-CB 3.31Å; C302-L305 PolarHBondContact O-N 3.04Å; L305-L307 PolarHBondContact O-N 3.28Å; L305-S308 WeakPolarHBondContact O-CB 3.18Å; L305-S308 PolarHBondContact O-N 3.12Å; L305-S308 VanDerWaalsContact O-N 3.12Å; L305-W309 HydrophobicContact CB-CH2 4.23Å; L305-W309 HydrophobicContact CB-CZ2 4.11Å; L305-W309 HydrophobicContact CD2-CZ2 4.36Å; L305-W309 VanDerWaalsContact O-CG 3.31Å; L305-W309 PolarHBondContact O-N 2.94Å; L305-Q341 HydrophobicContact CD1-CG 4.31Å; L305-Q341 HydrophobicContact CD2-CB 4.46Å; L305-F344 HydrophobicContact CD1-CB 4.48Å; L305-F344 HydrophobicContact CD1-CD2 4.32Å; L305-F344 HydrophobicContact CD2-CD2 3.73Å; L305-F344 HydrophobicContact CD2-CE2 3.91Å; L305-F344 HydrophobicContact CG-CD2 4.17Å; L305-F344 HydrophobicContact CG-CE2 4.47Å; L305-A426 HydrophobicContact CB-CB 3.81Å
306	W	93.1	Very high	89.8	Confident	12 Å²	12	40.6 Å²	40.6	5%	0.045	21%	0.211	C	C	.	.	H	α-helix	trans	-58.1	-38.2	176	78.8	-91	0	0	0	111.2	L277 P278 H279 L281 F282 D303 W309 W310 A426	L277-W306 HydrophobicContact CB-CZ2 3.87Å; P278-W306 WeakPolarHBondContact O-CZ2 3.31Å; H279-W306 AromaticContact ND1-CD1 3.8Å; H279-W306 AromaticContact ND1-CG 3.64Å; L281-W306 HydrophobicContact CB-CH2 4.06Å; L281-W306 HydrophobicContact CB-CZ2 4.32Å; F282-W306 HydrophobicContact CB-CH2 4.48Å; F282-W306 HydrophobicContact CB-CZ3 4.22Å; F282-W306 AromaticContact CD2-CH2 3.82Å; F282-W306 HydrophobicContact CD2-CH2 3.82Å; F282-W306 AromaticContact CD2-CZ3 3.99Å; F282-W306 HydrophobicContact CD2-CZ3 3.99Å; F282-W306 HydrophobicContact CE2-CH2 4.2Å; F282-W306 HydrophobicContact CG-CH2 4.08Å; F282-W306 HydrophobicContact CG-CZ3 4.25Å; D303-W306 PolarHBondContact O-NE1 3.08Å; W306-W309 PolarHBondContact O-N 3.48Å; W306-W310 HydrophobicContact CE3-CB 4.42Å; W306-W310 HydrophobicContact CZ3-CB 4.45Å; W306-W310 VanDerWaalsContact O-CB 3.31Å; W306-W310 WeakPolarHBondContact O-CB 3.42Å; W306-W310 PolarHBondContact O-N 2.99Å; W306-A426 HydrophobicContact CB-CB 4.31Å
307	L	93.2	Very high	88	Confident	3 Å²	3	46.6 Å²	46.6	2%	0.016	25%	0.254	C	S	.	.	H	α-helix	trans	-72.1	-35.3	178.3	179.9	63.5	0	0	0	112.1	L277 F282 L293 V304 L305 L311 I336	L277-L307 HydrophobicContact CD1-CD2 4.22Å; F282-L307 HydrophobicContact CD2-CD1 4.18Å; F282-L307 HydrophobicContact CE2-CD1 3.74Å; L293-L307 HydrophobicContact CD1-CD1 3.89Å; L293-L307 HydrophobicContact CD1-CD2 4.08Å; L293-L307 HydrophobicContact CD1-CG 4.47Å; V304-L307 HydrophobicContact CG2-CD2 4.28Å; V304-L307 WeakPolarHBondContact O-CB 3.26Å; V304-L307 PolarHBondContact O-N 3.21Å; L305-L307 PolarHBondContact O-N 3.28Å; L307-L311 HydrophobicContact CD1-CD1 4.25Å; L307-L311 HydrophobicContact CD1-CG 4.14Å; L307-L311 HydrophobicContact CG-CD1 4.06Å; L307-L311 HydrophobicContact CG-CG 4.4Å; L307-L311 VanDerWaalsContact O-CB 3.28Å; L307-L311 WeakPolarHBondContact O-CB 3.36Å; L307-L311 WeakPolarHBondContact O-CG 3.19Å; L307-L311 PolarHBondContact O-N 3.36Å; L307-I336 HydrophobicContact CD2-CG2 4.41Å; L307-I336 HydrophobicContact CG-CG2 4.3Å
308	S	91.9	Very high	86.1	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.007	28%	0.28	C	S	.	.	H	α-helix	trans	-60	-50	171	176.4	0	0	0	0	111	V304 L305 L311 K312 I336 L339	V304-S308 PolarHBondContact O-N 3.39Å; L305-S308 WeakPolarHBondContact O-CB 3.18Å; L305-S308 PolarHBondContact O-N 3.12Å; L305-S308 VanDerWaalsContact O-N 3.12Å; S308-L311 PolarHBondContact O-N 3.36Å; S308-K312 VanDerWaalsContact O-CB 3.29Å; S308-K312 WeakPolarHBondContact O-CB 3.32Å; S308-K312 PolarHBondContact O-N 2.95Å; S308-I336 VanDerWaalsContact CB-O 3.26Å; S308-I336 WeakPolarHBondContact CB-O 3.47Å; S308-I336 PolarHBondContact OG-O 2.9Å; S308-L339 PolarHBondContact OG-O 2.91Å
309	W	90.4	Very high	84.3	Confident	94 Å²	94	54.9 Å²	54.9	36%	0.356	30%	0.298	S	S	.	.	H	α-helix	trans	-62.6	-46.9	179.3	-57.1	-28.7	0	0	0	111.7	L305 W306 L311 K312 E313 Q341 A426	L305-W309 HydrophobicContact CB-CH2 4.23Å; L305-W309 HydrophobicContact CB-CZ2 4.11Å; L305-W309 HydrophobicContact CD2-CZ2 4.36Å; L305-W309 VanDerWaalsContact O-CG 3.31Å; L305-W309 PolarHBondContact O-N 2.94Å; W306-W309 PolarHBondContact O-N 3.48Å; W309-L311 PolarHBondContact O-N 3.46Å; W309-K312 PolarHBondContact O-N 3.27Å; W309-K312 VanDerWaalsContact O-N 3.16Å; W309-E313 PolarHBondContact O-N 2.9Å; W309-Q341 HydrophobicContact CZ2-CB 4.42Å; W309-A426 HydrophobicContact CH2-CB 4.28Å; W309-A426 WeakPolarHBondContact CH2-O 3.48Å; W309-A426 HydrophobicContact CZ3-CB 4.04Å
310	W	90.8	Very high	82.2	Confident	29 Å²	29	58.9 Å²	58.9	11%	0.11	32%	0.32	C	S	.	.	H	α-helix	trans	-58.4	-46.5	175.5	-172.6	90.6	0	0	0	112.3	F282 L288 V291 W306 K312 E313 T314 V315	F282-W310 HydrophobicContact CB-CD2 4.3Å; F282-W310 HydrophobicContact CB-CZ2 4.15Å; F282-W310 AromaticContact CD2-CD2 3.89Å; F282-W310 HydrophobicContact CD2-CD2 3.89Å; F282-W310 AromaticContact CD2-CE3 3.86Å; F282-W310 HydrophobicContact CD2-CE3 3.86Å; F282-W310 HydrophobicContact CD2-CH2 4.31Å; F282-W310 HydrophobicContact CD2-CZ2 4.28Å; F282-W310 HydrophobicContact CD2-CZ3 4.09Å; F282-W310 HydrophobicContact CE2-CE3 4.42Å; F282-W310 HydrophobicContact CE2-CZ3 4.46Å; L288-W310 HydrophobicContact CB-CZ2 4.38Å; L288-W310 HydrophobicContact CD2-CH2 4.17Å; L288-W310 HydrophobicContact CD2-CZ2 4.02Å; L288-W310 HydrophobicContact CG-CH2 4.25Å; L288-W310 HydrophobicContact CG-CZ2 4.21Å; V291-W310 HydrophobicContact CB-CH2 4.5Å; V291-W310 HydrophobicContact CB-CZ3 4.44Å; V291-W310 HydrophobicContact CG2-CH2 3.5Å; V291-W310 VanDerWaalsContact CG2-CH2 3.5Å; V291-W310 HydrophobicContact CG2-CZ3 3.87Å; W306-W310 HydrophobicContact CE3-CB 4.42Å; W306-W310 HydrophobicContact CZ3-CB 4.45Å; W306-W310 VanDerWaalsContact O-CB 3.31Å; W306-W310 WeakPolarHBondContact O-CB 3.42Å; W306-W310 PolarHBondContact O-N 2.99Å; W310-K312 VanDerWaalsContact C-N 3.3Å; W310-K312 PolarHBondContact O-N 3.38Å; W310-E313 PolarHBondContact O-N 3.2Å; W310-T314 HydrophobicContact CH2-CG2 3.99Å; W310-T314 HydrophobicContact CZ2-CG2 3.67Å; W310-T314 WeakPolarHBondContact O-CB 3.48Å; W310-T314 PolarHBondContact O-N 3.47Å; W310-T314 PolarHBondContact O-OG1 3.21Å; W310-V315 HydrophobicContact CZ3-CG2 4.02Å
311	L	89.5	Confident	80.6	Confident	13 Å²	13	59.8 Å²	59.8	7%	0.068	33%	0.326	C	S	.	.	H	α-helix	trans	-62.2	-37	176.4	-75	171.2	0	0	0	112.4	L307 S308 W309 V315 I336	L307-L311 HydrophobicContact CD1-CD1 4.25Å; L307-L311 HydrophobicContact CD1-CG 4.14Å; L307-L311 HydrophobicContact CG-CD1 4.06Å; L307-L311 HydrophobicContact CG-CG 4.4Å; L307-L311 VanDerWaalsContact O-CB 3.28Å; L307-L311 WeakPolarHBondContact O-CB 3.36Å; L307-L311 WeakPolarHBondContact O-CG 3.19Å; L307-L311 PolarHBondContact O-N 3.36Å; S308-L311 PolarHBondContact O-N 3.36Å; W309-L311 PolarHBondContact O-N 3.46Å; L311-V315 HydrophobicContact CD2-CG2 3.8Å; L311-V315 WeakPolarHBondContact O-CB 3.5Å; L311-V315 PolarHBondContact O-N 3.41Å; L311-I336 HydrophobicContact CD1-CB 4.03Å; L311-I336 HydrophobicContact CD1-CG2 3.92Å
312	K	86.6	Confident	79.4	Confident	151 Å²	151	58.8 Å²	58.8	66%	0.657	32%	0.323	S	S	*	.	H	α-helix	trans	-73.3	-27.9	-179.6	-178.6	-179.3	176.2	-174.5	0	113.3	S308 W309 W310	S308-K312 VanDerWaalsContact O-CB 3.29Å; S308-K312 WeakPolarHBondContact O-CB 3.32Å; S308-K312 PolarHBondContact O-N 2.95Å; W309-K312 PolarHBondContact O-N 3.27Å; W309-K312 VanDerWaalsContact O-N 3.16Å; W310-K312 VanDerWaalsContact C-N 3.3Å; W310-K312 PolarHBondContact O-N 3.38Å
313	E	86	Confident	79.3	Confident	173 Å²	173	57.2 Å²	57.2	81%	0.808	31%	0.313	S	S	*	.	H	α-helix	trans	-91.5	-45.3	179.4	-176.2	169.2	-168.9	0	0	112.5	W309 W310	W309-E313 PolarHBondContact O-N 2.9Å; W310-E313 PolarHBondContact O-N 3.2Å
314	T	81.2	Confident	79.3	Confident	54 Å²	54	61.8 Å²	61.8	33%	0.331	33%	0.328	S	S	.	.	H	α-helix	trans	-90.6	-32.2	-170.8	-47.4	0	0	0	0	114	L288 W310 P316	L288-T314 WeakPolarHBondContact O-CG2 3.47Å; W310-T314 HydrophobicContact CH2-CG2 3.99Å; W310-T314 HydrophobicContact CZ2-CG2 3.67Å; W310-T314 WeakPolarHBondContact O-CB 3.48Å; W310-T314 PolarHBondContact O-N 3.47Å; W310-T314 PolarHBondContact O-OG1 3.21Å; T314-P316 WeakPolarHBondContact O-CD 3.39Å
315	V	73.4	Confident	79.4	Confident	23 Å²	23	61.7 Å²	61.7	14%	0.139	33%	0.327	C	S	.	.	S	Bend	trans	-94.2	121.8	-173.3	-176.1	0	0	0	0	111.3	W310 L311 T319 C321	W310-V315 HydrophobicContact CZ3-CG2 4.02Å; L311-V315 HydrophobicContact CD2-CG2 3.8Å; L311-V315 WeakPolarHBondContact O-CB 3.5Å; L311-V315 PolarHBondContact O-N 3.41Å; V315-T319 HydrophobicContact CG1-CG2 4.33Å; V315-C321 HydrophobicContact CG1-CB 4.1Å
316	P	67.7	Low	79.6	Confident	79 Å²	79	66.4 Å²	66.4	51%	0.513	35%	0.349	S	S	.	.			trans	-59.2	144.4	176.7	-24	33.5	0	0	0	113	T314 N318 T319	T314-P316 WeakPolarHBondContact O-CD 3.39Å; P316-N318 PolarHBondContact O-N 3.48Å; P316-T319 WeakPolarHBondContact O-CB 3.45Å; P316-T319 PolarHBondContact O-N 3.38Å; P316-T319 PolarHBondContact O-OG1 3.19Å; P316-T319 VanDerWaalsContact O-OG1 3.09Å
317	S	59.3	Low	79.7	Confident	138 Å²	138	67.7 Å²	67.7	97%	0.965	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-7.6	-177.9	55.1	0	0	0	0	115.7
318	N	56.8	Low	79.8	Confident	156 Å²	156	70.2 Å²	70.2	83%	0.834	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	2.8	175.8	-162.4	29.9	0	0	0	113	P316	P316-N318 PolarHBondContact O-N 3.48Å
319	T	58.1	Low	79.9	Confident	64 Å²	64	75.7 Å²	75.7	39%	0.393	42%	0.415	S	S	.	.	S	Bend	trans	-101.9	126.7	-174.8	-37.2	0	0	0	0	110.9	V315 P316 C321	V315-T319 HydrophobicContact CG1-CG2 4.33Å; P316-T319 WeakPolarHBondContact O-CB 3.45Å; P316-T319 PolarHBondContact O-N 3.38Å; P316-T319 PolarHBondContact O-OG1 3.19Å; P316-T319 VanDerWaalsContact O-OG1 3.09Å; T319-C321 PolarHBondContact O-N 3.31Å
320	T	51.9	Low	80	Confident	117 Å²	117	78.8 Å²	78.8	72%	0.718	44%	0.438	S	S	*	.			trans	-79.2	53.1	-174	54.5	0	0	0	0	113.9	C322	T320-C322 PolarHBondContact O-N 3.19Å
321	C	60.8	Low	80.1	Confident	22 Å²	22	78 Å²	78	15%	0.149	44%	0.435	C	S	.	.			trans	-75	64.2	168.8	-174.1	0	0	0	0	110.5	V291 V315 T319 A323	V291-C321 PolarHBondContact O-SG 2.89Å; V291-C321 VanDerWaalsContact O-SG 3.33Å; V315-C321 HydrophobicContact CG1-CB 4.1Å; T319-C321 PolarHBondContact O-N 3.31Å; C321-A323 PolarHBondContact O-N 2.76Å
322	C	67.8	Low	80.3	Confident	42 Å²	42	83.2 Å²	83.2	28%	0.284	46%	0.458	S	S	.	.			trans	-76.5	50.4	-171.9	-65.6	0	0	0	0	113.3	T320 R324 Y335	T320-C322 PolarHBondContact O-N 3.19Å; C322-R324 PolarHBondContact O-N 2.85Å; C322-Y335 HydrophobicContact CB-CE1 4.03Å
323	A	88.6	Confident	80.6	Confident	1 Å²	1	78 Å²	78	1%	0.008	45%	0.446	C	S	.	.			trans	-67.3	121.8	167.5	0	0	0	0	0	109.1	L293 C321 Y335 I336	L293-A323 HydrophobicContact CB-CB 3.86Å; C321-A323 PolarHBondContact O-N 2.76Å; A323-Y335 WeakPolarHBondContact O-CA 3.5Å; A323-I336 HydrophobicContact CB-CB 4.36Å; A323-I336 HydrophobicContact CB-CD1 3.81Å; A323-I336 HydrophobicContact CB-CG1 4.11Å; A323-I336 PolarHBondContact O-N 3.38Å
324	R	92.6	Very high	80.8	Confident	119 Å²	119	73.5 Å²	73.5	45%	0.449	42%	0.424	S	S	.	.	B	Isolated β-bridge	trans	-125.3	143.3	-179.2	-66.1	178.3	-174.4	139.7	0.9	110.8	C322 H326 G333 K334 Y335	C322-R324 PolarHBondContact O-N 2.85Å; R324-H326 PolarHBondContact O-N 2.8Å; R324-G333 WeakPolarHBondContact CD-O 3.42Å; R324-K334 CarbonylContact C-O 3.5Å; R324-K334 WeakPolarHBondContact CA-O 3.28Å; R324-Y335 HydrophobicContact CG-CD1 3.66Å; R324-Y335 HydrophobicContact CG-CE1 3.87Å; R324-Y335 HydrophobicContact CG-CG 4.38Å; R324-Y335 PolarHBondContact NH2-OH 3.12Å
325	C	95.4	Very high	81.3	Confident	4 Å²	4	74.9 Å²	74.9	3%	0.027	42%	0.423	C	S	.	.			trans	-62.1	133.3	175	-58.1	0	0	0	0	111.3	C300 L331 K332 G333 K334	C300-C325 HydrophobicContact CB-CB 3.86Å; C300-C325 WeakPolarHBondContact CB-SG 3.4Å; C300-C325 WeakPolarHBondContact SG-CA 3.32Å; C300-C325 WeakPolarHBondContact SG-CB 3.22Å; C300-C325 CovalentContact SG-SG 2.03Å; C300-C325 PolarHBondContact SG-SG 2.93Å; C325-L331 HydrophobicContact CB-CB 4.32Å; C325-L331 WeakPolarHBondContact CB-O 3.21Å; C325-K332 WeakPolarHBondContact O-CA 3.23Å; C325-G333 PolarHBondContact O-N 2.82Å; C325-K334 PolarHBondContact N-O 2.82Å
326	H	96.3	Very high	82.2	Confident	99 Å²	99	73.8 Å²	73.8	46%	0.458	42%	0.417	S	S	.	.			trans	-94.5	-37.7	166.7	-165.5	106.3	0	0	0	111.4	P297 W298 R324 K332	P297-H326 HydrophobicContact CB-CB 4.41Å; W298-H326 PolarHBondContact O-N 3.28Å; R324-H326 PolarHBondContact O-N 2.8Å; H326-K332 PolarHBondContact NE2-NZ 3.27Å; H326-K332 WeakPolarHBondContact O-CD 3.29Å; H326-K332 WeakPolarHBondContact O-CG 3.41Å
327	A	94.8	Very high	83.1	Confident	39 Å²	39	71.3 Å²	71.3	32%	0.322	41%	0.406	S	S	.	.	B	Isolated β-bridge	trans	-134.4	159.8	176.9	0	0	0	0	0	110.2	W298 C300	W298-A327 PolarHBondContact O-N 3.17Å; W298-A327 VanDerWaalsContact O-N 3.12Å; C300-A327 PolarHBondContact N-O 2.76Å
328	P	95.4	Very high	84.5	Confident	57 Å²	57	70.9 Å²	70.9	37%	0.37	39%	0.389	S	S	.	.	S	Bend	cis	-67	164.7	-11.3	31.4	-36.9	0	0	0	111.8	C300 L330 L331 K332	C300-P328 WeakPolarHBondContact O-CD 3.26Å; P328-L330 PolarHBondContact O-N 3.19Å; P328-L330 VanDerWaalsContact O-N 3.09Å; P328-L331 HydrophobicContact CG-CB 4.5Å; P328-L331 HydrophobicContact CG-CD1 4.24Å; P328-L331 HydrophobicContact CG-CG 4.27Å; P328-L331 PolarHBondContact O-N 3.46Å; P328-K332 PolarHBondContact O-N 3.12Å
329	P	93.5	Very high	86.1	Confident	116 Å²	116	63.6 Å²	63.6	75%	0.753	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-53.7	-33.7	-176.4	-28.9	36.3	0	0	0	114.8	L331 K332	P329-L331 VanDerWaalsContact C-N 3.28Å; P329-L331 PolarHBondContact O-N 3.02Å; P329-K332 WeakPolarHBondContact O-CB 3.43Å; P329-K332 PolarHBondContact O-N 2.91Å
330	L	93.1	Very high	87.4	Confident	159 Å²	159	64.3 Å²	64.3	83%	0.832	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-64.4	-26.7	179.1	-175.4	63.1	0	0	0	114.1	P328	P328-L330 PolarHBondContact O-N 3.19Å; P328-L330 VanDerWaalsContact O-N 3.09Å
331	L	93.3	Very high	89.2	Confident	11 Å²	11	63.2 Å²	63.2	6%	0.058	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-105.7	-2.8	179.1	-58.7	179.5	0	0	0	112.4	C300 C325 P328 P329 G333 K334 L339 F344	C300-L331 HydrophobicContact CB-CD1 4.18Å; C325-L331 HydrophobicContact CB-CB 4.32Å; C325-L331 WeakPolarHBondContact CB-O 3.21Å; P328-L331 HydrophobicContact CG-CB 4.5Å; P328-L331 HydrophobicContact CG-CD1 4.24Å; P328-L331 HydrophobicContact CG-CG 4.27Å; P328-L331 PolarHBondContact O-N 3.46Å; P329-L331 VanDerWaalsContact C-N 3.28Å; P329-L331 PolarHBondContact O-N 3.02Å; L331-G333 PolarHBondContact O-N 2.92Å; L331-K334 HydrophobicContact CD2-CD 4.01Å; L331-K334 WeakPolarHBondContact O-CB 3.48Å; L331-K334 PolarHBondContact O-N 3.38Å; L331-L339 HydrophobicContact CD1-CD2 4.45Å; L331-F344 HydrophobicContact CD1-CE1 3.62Å; L331-F344 HydrophobicContact CD1-CZ 3.61Å
332	K	94.4	Very high	90.5	Very high	124 Å²	124	66.8 Å²	66.8	54%	0.539	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	124.3	-173.3	-175.3	170.2	-173.6	163.9	0	111.4	C325 H326 P328 P329	C325-K332 WeakPolarHBondContact O-CA 3.23Å; H326-K332 PolarHBondContact NE2-NZ 3.27Å; H326-K332 WeakPolarHBondContact O-CD 3.29Å; H326-K332 WeakPolarHBondContact O-CG 3.41Å; P328-K332 PolarHBondContact O-N 3.12Å; P329-K332 WeakPolarHBondContact O-CB 3.43Å; P329-K332 PolarHBondContact O-N 2.91Å
333	G	91.6	Very high	91.4	Very high	40 Å²	40	68.8 Å²	68.8	41%	0.412	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.8	-17.2	-178.6	0	0	0	0	0	115.6	R324 C325 L331	R324-G333 WeakPolarHBondContact CD-O 3.42Å; C325-G333 PolarHBondContact O-N 2.82Å; L331-G333 PolarHBondContact O-N 2.92Å
334	K	91.3	Very high	91.5	Very high	79 Å²	79	70.3 Å²	70.3	34%	0.343	37%	0.374	S	S	.	.			trans	-62.5	147.7	171.1	-68.8	-167.8	176.4	-168.7	0	110.9	R324 C325 L331 L339 H343	R324-K334 CarbonylContact C-O 3.5Å; R324-K334 WeakPolarHBondContact CA-O 3.28Å; C325-K334 PolarHBondContact N-O 2.82Å; L331-K334 HydrophobicContact CD2-CD 4.01Å; L331-K334 WeakPolarHBondContact O-CB 3.48Å; L331-K334 PolarHBondContact O-N 3.38Å; K334-L339 HydrophobicContact CB-CD2 4.41Å; K334-L339 HydrophobicContact CD-CD2 4.25Å; K334-H343 PolarHBondContact NZ-CD2 3Å; K334-H343 PolarHBondContact NZ-NE2 2.56Å
335	Y	91.2	Very high	91.4	Very high	83 Å²	83	70.5 Å²	70.5	33%	0.325	39%	0.389	S	S	.	.	B	Isolated β-bridge	trans	-76.4	145.4	172.9	-62.8	-79.2	0	0	0	111.1	C322 A323 R324 E338	C322-Y335 HydrophobicContact CB-CE1 4.03Å; A323-Y335 WeakPolarHBondContact O-CA 3.5Å; R324-Y335 HydrophobicContact CG-CD1 3.66Å; R324-Y335 HydrophobicContact CG-CE1 3.87Å; R324-Y335 HydrophobicContact CG-CG 4.38Å; R324-Y335 PolarHBondContact NH2-OH 3.12Å; Y335-E338 WeakPolarHBondContact CD2-OE1 3.27Å; Y335-E338 WeakPolarHBondContact CD2-OE2 3.4Å; Y335-E338 PolarHBondContact O-N 3.02Å
336	I	92.1	Very high	91.2	Very high	1 Å²	1	71.6 Å²	71.6	1%	0.005	40%	0.396	C	S	.	.	G	3₁₀ helix	trans	-66.8	-44.5	-175.7	-63.9	-177.1	0	0	0	111.8	W298 V304 L307 S308 L311 A323 E338 L339	W298-I336 HydrophobicContact CB-CD1 3.92Å; W298-I336 HydrophobicContact CD2-CD1 4.03Å; W298-I336 HydrophobicContact CG-CD1 3.61Å; V304-I336 HydrophobicContact CG2-CD1 4.03Å; V304-I336 HydrophobicContact CG2-CG2 3.81Å; L307-I336 HydrophobicContact CD2-CG2 4.41Å; L307-I336 HydrophobicContact CG-CG2 4.3Å; S308-I336 VanDerWaalsContact CB-O 3.26Å; S308-I336 WeakPolarHBondContact CB-O 3.47Å; S308-I336 PolarHBondContact OG-O 2.9Å; L311-I336 HydrophobicContact CD1-CB 4.03Å; L311-I336 HydrophobicContact CD1-CG2 3.92Å; A323-I336 HydrophobicContact CB-CB 4.36Å; A323-I336 HydrophobicContact CB-CD1 3.81Å; A323-I336 HydrophobicContact CB-CG1 4.11Å; A323-I336 PolarHBondContact O-N 3.38Å; I336-E338 PolarHBondContact O-N 3.07Å; I336-E338 VanDerWaalsContact O-N 3.12Å; I336-L339 HydrophobicContact CG2-CD1 4.34Å; I336-L339 VanDerWaalsContact O-CB 3.26Å; I336-L339 WeakPolarHBondContact O-CB 3.44Å; I336-L339 VanDerWaalsContact O-CG 3.31Å; I336-L339 WeakPolarHBondContact O-CG 3.33Å; I336-L339 PolarHBondContact O-N 2.8Å
337	G	87.9	Confident	91	Very high	27 Å²	27	74.5 Å²	74.5	28%	0.278	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-69.2	-3.4	178.4	0	0	0	0	0	115.6
338	E	87.7	Confident	90.9	Very high	129 Å²	129	75 Å²	75	60%	0.603	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-95	-4	170.9	-65.5	175.8	172.1	0	0	112.3	Y335 I336 D340	Y335-E338 WeakPolarHBondContact CD2-OE1 3.27Å; Y335-E338 WeakPolarHBondContact CD2-OE2 3.4Å; Y335-E338 PolarHBondContact O-N 3.02Å; I336-E338 PolarHBondContact O-N 3.07Å; I336-E338 VanDerWaalsContact O-N 3.12Å; E338-D340 PolarHBondContact O-N 2.96Å
339	L	89.6	Confident	90.8	Very high	3 Å²	3	72.5 Å²	72.5	2%	0.016	40%	0.396	C	S	.	.			trans	-80.1	113.9	-178.2	-62.1	174	0	0	0	111.1	C300 V304 S308 L331 K334 I336 F344	C300-L339 HydrophobicContact CB-CD1 3.99Å; V304-L339 HydrophobicContact CG1-CD1 3.63Å; S308-L339 PolarHBondContact OG-O 2.91Å; L331-L339 HydrophobicContact CD1-CD2 4.45Å; K334-L339 HydrophobicContact CB-CD2 4.41Å; K334-L339 HydrophobicContact CD-CD2 4.25Å; I336-L339 HydrophobicContact CG2-CD1 4.34Å; I336-L339 VanDerWaalsContact O-CB 3.26Å; I336-L339 WeakPolarHBondContact O-CB 3.44Å; I336-L339 VanDerWaalsContact O-CG 3.31Å; I336-L339 WeakPolarHBondContact O-CG 3.33Å; I336-L339 PolarHBondContact O-N 2.8Å; L339-F344 HydrophobicContact CB-CE2 4.28Å; L339-F344 HydrophobicContact CD1-CZ 4.3Å; L339-F344 HydrophobicContact CD2-CZ 4.5Å
340	D	86.6	Confident	90.8	Very high	78 Å²	78	71.1 Å²	71.1	42%	0.417	39%	0.385	S	S	.	.			trans	-93.5	153.3	171	179.9	56.2	0	0	0	112.5	E338 S342 H343	E338-D340 PolarHBondContact O-N 2.96Å; D340-S342 PolarHBondContact O-N 3.42Å; D340-S342 VanDerWaalsContact O-N 3.13Å; D340-S342 WeakPolarHBondContact OD2-CB 3.24Å; D340-S342 PolarHBondContact OD2-N 2.67Å; D340-S342 PolarHBondContact OD2-OG 2.93Å; D340-H343 WeakPolarHBondContact O-CB 3.43Å; D340-H343 PolarHBondContact O-N 3.42Å; D340-H343 PolarHBondContact O-ND1 3.42Å; D340-H343 VanDerWaalsContact O-ND1 3.14Å
341	Q	88.7	Confident	90.9	Very high	95 Å²	95	64.9 Å²	64.9	44%	0.444	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-56.3	-28.4	179.7	-169.8	177.3	7.1	0	0	112.8	L305 W309 H343 F344	L305-Q341 HydrophobicContact CD1-CG 4.31Å; L305-Q341 HydrophobicContact CD2-CB 4.46Å; W309-Q341 HydrophobicContact CZ2-CB 4.42Å; Q341-H343 PolarHBondContact O-N 2.88Å; Q341-F344 PolarHBondContact O-N 3.28Å; Q341-F344 VanDerWaalsContact O-O 3.08Å
342	S	88.4	Confident	90.9	Very high	97 Å²	97	69.1 Å²	69.1	68%	0.678	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-54.7	-17.7	173.5	55.4	0	0	0	0	115.4	D340 F344	D340-S342 PolarHBondContact O-N 3.42Å; D340-S342 VanDerWaalsContact O-N 3.13Å; D340-S342 WeakPolarHBondContact OD2-CB 3.24Å; D340-S342 PolarHBondContact OD2-N 2.67Å; D340-S342 PolarHBondContact OD2-OG 2.93Å; S342-F344 VanDerWaalsContact C-N 3.34Å
343	H	86.4	Confident	90.9	Very high	83 Å²	83	66.8 Å²	66.8	38%	0.384	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-81.6	-7.2	174.6	-65.5	81.3	0	0	0	114.1	K334 D340 Q341	K334-H343 PolarHBondContact NZ-CD2 3Å; K334-H343 PolarHBondContact NZ-NE2 2.56Å; D340-H343 WeakPolarHBondContact O-CB 3.43Å; D340-H343 PolarHBondContact O-N 3.42Å; D340-H343 PolarHBondContact O-ND1 3.42Å; D340-H343 VanDerWaalsContact O-ND1 3.14Å; Q341-H343 PolarHBondContact O-N 2.88Å
344	F	90.9	Very high	91.1	Very high	33 Å²	33	68.1 Å²	68.1	15%	0.145	37%	0.371	C	S	.	.			trans	-139.6	140.4	-168.1	-51.3	-83.8	0	0	0	113.5	C300 L305 L331 L339 Q341 S342 C346	C300-F344 WeakPolarHBondContact O-CE1 3.38Å; L305-F344 HydrophobicContact CD1-CB 4.48Å; L305-F344 HydrophobicContact CD1-CD2 4.32Å; L305-F344 HydrophobicContact CD2-CD2 3.73Å; L305-F344 HydrophobicContact CD2-CE2 3.91Å; L305-F344 HydrophobicContact CG-CD2 4.17Å; L305-F344 HydrophobicContact CG-CE2 4.47Å; L331-F344 HydrophobicContact CD1-CE1 3.62Å; L331-F344 HydrophobicContact CD1-CZ 3.61Å; L339-F344 HydrophobicContact CB-CE2 4.28Å; L339-F344 HydrophobicContact CD1-CZ 4.3Å; L339-F344 HydrophobicContact CD2-CZ 4.5Å; Q341-F344 PolarHBondContact O-N 3.28Å; Q341-F344 VanDerWaalsContact O-O 3.08Å; S342-F344 VanDerWaalsContact C-N 3.34Å; F344-C346 VanDerWaalsContact CB-SG 3.52Å
345	T	91.3	Very high	91.3	Very high	123 Å²	123	64.9 Å²	64.9	76%	0.755	36%	0.358	S	S	*	.			trans	-100.5	103.8	167.6	53.4	0	0	0	0	109.1
346	C	91.9	Very high	91.6	Very high	27 Å²	27	65.9 Å²	65.9	18%	0.182	37%	0.373	C	S	.	.			trans	-117.6	148.8	-172.8	-54.9	0	0	0	0	111.9	C302 F344 A427	C302-C346 HydrophobicContact CB-CB 3.83Å; C302-C346 WeakPolarHBondContact CB-SG 3.31Å; C302-C346 WeakPolarHBondContact SG-CA 3.4Å; C302-C346 WeakPolarHBondContact SG-CB 3.37Å; C302-C346 CovalentContact SG-SG 2.03Å; C302-C346 PolarHBondContact SG-SG 3.07Å; F344-C346 VanDerWaalsContact CB-SG 3.52Å; C346-A427 HydrophobicContact CB-CB 3.74Å
347	F	91.8	Very high	91.8	Very high	161 Å²	161	71.3 Å²	71.3	71%	0.706	40%	0.401	S	S	*	.			trans	-131.4	158.3	-176	-55	-79.7	0	0	0	110.6	N425	F347-N425 PolarHBondContact O-ND2 3.38Å
348	A	91.4	Very high	92.2	Very high	48 Å²	48	72.6 Å²	72.6	40%	0.397	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-54.4	151	174.2	0	0	0	0	0	111.8
349	P	93.8	Very high	92.5	Very high	5 Å²	5	72.5 Å²	72.5	3%	0.032	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-69.4	140.3	-170.4	27.3	-33.3	0	0	0	111.8	T377 V423 N425 G428 T430	P349-T377 HydrophobicContact CB-CG2 3.81Å; P349-V423 HydrophobicContact CB-CB 4.49Å; P349-V423 HydrophobicContact CB-CG1 3.71Å; P349-V423 HydrophobicContact CG-CB 4.2Å; P349-V423 HydrophobicContact CG-CG1 3.85Å; P349-V423 WeakPolarHBondContact CG-O 3.27Å; P349-N425 HydrophobicContact CB-CB 4.33Å; P349-G428 WeakPolarHBondContact CD-O 3.33Å; P349-T430 WeakPolarHBondContact CD-OG1 3.45Å; P349-T430 WeakPolarHBondContact O-CB 3.46Å; P349-T430 PolarHBondContact O-OG1 2.97Å
350	V	93.4	Very high	92.8	Very high	88 Å²	88	73 Å²	73	53%	0.533	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-95.9	123.2	178.9	-179.7	0	0	0	0	109.8	S373	V350-S373 PolarHBondContact O-N 3.01Å
351	I	94.5	Very high	93.1	Very high	28 Å²	28	71.5 Å²	71.5	14%	0.144	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	113.8	168.1	-53.8	177.4	0	0	0	106.6	P354 R371 V423 T430 A432	I351-P354 HydrophobicContact CG2-CB 4Å; I351-R371 CarbonylContact C-O 3.57Å; I351-V423 HydrophobicContact CD1-CG2 3.95Å; I351-V423 HydrophobicContact CG1-CB 4.43Å; I351-V423 HydrophobicContact CG1-CG2 3.88Å; I351-T430 HydrophobicContact CD1-CG2 3.98Å; I351-T430 HydrophobicContact CG1-CG2 4.12Å; I351-A432 HydrophobicContact CD1-CB 3.74Å
352	V	94.2	Very high	93.4	Very high	99 Å²	99	70.5 Å²	70.5	60%	0.6	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.8	-39	-175.4	177.8	0	0	0	0	110.9	R371	V352-R371 PolarHBondContact N-O 3.12Å
353	E	94.6	Very high	93.4	Very high	76 Å²	76	67.8 Å²	67.8	36%	0.355	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	91.3	174.8	-169.4	-179.8	-165.9	0	0	107.2	K369 C370 R371	E353-K369 HydrophobicContact CG-CB 3.89Å; E353-K369 HydrophobicContact CG-CG 4.38Å; E353-C370 CarbonylContact O-C 3.45Å; E353-C370 VanDerWaalsContact O-CA 3.27Å; E353-C370 WeakPolarHBondContact O-CA 3.49Å; E353-R371 HydrophobicContact CB-CB 3.88Å; E353-R371 HydrophobicContact CB-CG 4.24Å; E353-R371 PolarHBondContact N-O 3.39Å; E353-R371 PolarHBondContact O-N 3.33Å; E353-R371 WeakPolarHBondContact OE2-CD 3.37Å; E353-R371 WeakPolarHBondContact OE2-CG 3.43Å; E353-R371 IonicContact OE2-NE 2.67Å
354	P	95.2	Very high	93.7	Very high	68 Å²	68	69 Å²	69	44%	0.442	39%	0.392	S	S	.	.			trans	-73.6	154.9	177.6	31.5	-35	0	0	0	110.9	I351 K369 A432	I351-P354 HydrophobicContact CG2-CB 4Å; P354-K369 CarbonylContact C-O 3.41Å; P354-A432 HydrophobicContact CB-CB 4.17Å
355	P	96.9	Very high	93.8	Very high	11 Å²	11	70.7 Å²	70.7	7%	0.071	41%	0.412	C	S	.	.			trans	-68.1	142	176.9	28.3	-34.4	0	0	0	110.9	L368 K369 W381 A432 A434	P355-L368 HydrophobicContact CB-CB 4.27Å; P355-K369 WeakPolarHBondContact CA-O 3.3Å; P355-K369 WeakPolarHBondContact CB-O 3.46Å; P355-K369 VanDerWaalsContact CD-O 3.25Å; P355-K369 WeakPolarHBondContact CD-O 3.38Å; P355-W381 HydrophobicContact CB-CH2 3.85Å; P355-W381 HydrophobicContact CG-CH2 3.92Å; P355-A432 HydrophobicContact CG-CB 4.23Å; P355-A434 HydrophobicContact CB-CB 3.72Å; P355-A434 HydrophobicContact CG-CB 4.16Å
356	T	96.8	Very high	94	Very high	104 Å²	104	65.2 Å²	65.2	64%	0.638	38%	0.379	S	S	*	.			trans	-109.4	151	174	55.6	0	0	0	0	110.3
357	D	96.8	Very high	94.1	Very high	114 Å²	114	67.9 Å²	67.9	61%	0.61	39%	0.389	S	S	*	.			trans	-57.1	139.7	174.2	-58.7	-32.9	0	0	0	111	A434 V435	D357-A434 WeakPolarHBondContact OD1-CA 3.22Å; D357-V435 WeakPolarHBondContact CA-O 3.24Å; D357-V435 PolarHBondContact OD1-N 3.02Å
358	L	95.3	Very high	94.4	Very high	55 Å²	55	60.3 Å²	60.3	29%	0.288	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	124.6	-169.7	-169.8	69	0	0	0	111.7	V360 A366 L368 V435 L436 N437	L358-V360 HydrophobicContact CD2-CG2 3.73Å; L358-V360 HydrophobicContact CG-CG2 3.67Å; L358-A366 HydrophobicContact CD2-CB 4.01Å; L358-L368 HydrophobicContact CB-CD2 4.04Å; L358-L368 HydrophobicContact CD2-CD2 4.22Å; L358-V435 PolarHBondContact N-O 2.9Å; L358-L436 HydrophobicContact CB-CD1 4.25Å; L358-L436 HydrophobicContact CD2-CD1 4.27Å; L358-L436 HydrophobicContact CG-CD1 4.49Å; L358-N437 PolarHBondContact O-N 2.87Å
359	N	94.9	Very high	94.6	Very high	127 Å²	127	60.9 Å²	60.9	68%	0.679	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.3	126.1	173.1	-65.3	-44.7	0	0	0	109.5	N437	N359-N437 WeakPolarHBondContact CA-O 3.23Å; N359-N437 WeakPolarHBondContact OD1-CB 3.25Å; N359-N437 PolarHBondContact OD1-ND2 2.75Å
360	V	94.4	Very high	94.7	Very high	14 Å²	14	60.7 Å²	60.7	9%	0.085	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	144.1	-174.7	-170	0	0	0	0	110.2	L358 M364 A366 V411 L436 N437 V438 S439	L358-V360 HydrophobicContact CD2-CG2 3.73Å; L358-V360 HydrophobicContact CG-CG2 3.67Å; V360-M364 HydrophobicContact CG1-CB 3.79Å; V360-A366 HydrophobicContact CG1-CB 4.4Å; V360-A366 HydrophobicContact CG2-CB 3.97Å; V360-V411 HydrophobicContact CG1-CG2 4.43Å; V360-L436 HydrophobicContact CG2-CD1 3.86Å; V360-N437 PolarHBondContact N-O 3.49Å; V360-V438 CarbonylContact O-C 3.59Å; V360-V438 VanDerWaalsContact O-CA 3.27Å; V360-V438 WeakPolarHBondContact O-CA 3.28Å; V360-S439 PolarHBondContact O-N 3.03Å; V360-S439 PolarHBondContact O-OG 3.46Å
361	T	94.1	Very high	94.7	Very high	45 Å²	45	61.8 Å²	61.8	28%	0.276	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	143.2	170.7	59.6	0	0	0	0	111.3	G363 M364 S439	T361-G363 PolarHBondContact O-N 2.88Å; T361-M364 WeakPolarHBondContact O-CB 3.33Å; T361-M364 PolarHBondContact O-N 2.99Å; T361-M364 VanDerWaalsContact OG1-CE 3.29Å; T361-M364 WeakPolarHBondContact OG1-CE 3.38Å; T361-M364 WeakPolarHBondContact OG1-CG 3.49Å; T361-M364 PolarHBondContact OG1-SD 3.4Å; T361-S439 CarbonylContact C-O 3.38Å; T361-S439 WeakPolarHBondContact CA-O 3.39Å; T361-S439 WeakPolarHBondContact CG2-OG 3.41Å
362	E	93.5	Very high	94.5	Very high	74 Å²	74	61.5 Å²	61.5	35%	0.346	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.1	135.8	174.6	-179.7	158.3	-112.5	0	0	112.5	V411 T412 L413 V438 S439	E362-V411 WeakPolarHBondContact CA-O 3.09Å; E362-T412 VanDerWaalsContact OE1-CA 3.32Å; E362-T412 WeakPolarHBondContact OE1-CA 3.41Å; E362-L413 PolarHBondContact OE1-N 3.27Å; E362-V438 HydrophobicContact CB-CG1 4.22Å; E362-S439 PolarHBondContact N-O 2.82Å
363	G	89.9	Confident	94.1	Very high	40 Å²	40	60.2 Å²	60.2	41%	0.412	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.2	-19.3	-177.3	0	0	0	0	0	115.7	T361 N410 V411	T361-G363 PolarHBondContact O-N 2.88Å; G363-N410 PolarHBondContact O-ND2 3.02Å; G363-V411 PolarHBondContact N-O 3.28Å
364	M	91.8	Very high	93.6	Very high	110 Å²	110	58.8 Å²	58.8	54%	0.542	33%	0.334	S	S	.	.	S	Bend	trans	-74.5	163.4	173.8	-69.3	-171.4	179.8	0	0	112.4	V360 T361 N410 V411	V360-M364 HydrophobicContact CG1-CB 3.79Å; T361-M364 WeakPolarHBondContact O-CB 3.33Å; T361-M364 PolarHBondContact O-N 2.99Å; T361-M364 VanDerWaalsContact OG1-CE 3.29Å; T361-M364 WeakPolarHBondContact OG1-CE 3.38Å; T361-M364 WeakPolarHBondContact OG1-CG 3.49Å; T361-M364 PolarHBondContact OG1-SD 3.4Å; M364-N410 WeakPolarHBondContact O-CA 3.27Å; M364-V411 WeakPolarHBondContact O-CG2 3.46Å; M364-V411 PolarHBondContact O-N 2.91Å
365	A	93.5	Very high	93.1	Very high	68 Å²	68	60.1 Å²	60.1	56%	0.562	35%	0.345	S	S	*	.			trans	-83.7	155.1	166.7	0	0	0	0	0	110.9	F408	A365-F408 CarbonylContact C-O 3.4Å; A365-F408 WeakPolarHBondContact CA-O 3.5Å; A365-F408 WeakPolarHBondContact CB-O 3.31Å
366	A	94.6	Very high	92.7	Very high	8 Å²	8	60.1 Å²	60.1	7%	0.066	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	153.7	178.6	0	0	0	0	0	112.2	L358 V360 F408 V411	L358-A366 HydrophobicContact CD2-CB 4.01Å; V360-A366 HydrophobicContact CG1-CB 4.4Å; V360-A366 HydrophobicContact CG2-CB 3.97Å; A366-F408 HydrophobicContact CB-CB 4.25Å; A366-F408 HydrophobicContact CB-CD2 4.33Å; A366-F408 PolarHBondContact N-O 3.28Å; A366-F408 PolarHBondContact O-N 3.3Å; A366-V411 HydrophobicContact CB-CG2 3.56Å
367	E	95.5	Very high	92.6	Very high	82 Å²	82	55.2 Å²	55.2	38%	0.383	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	127.5	177.5	-67.2	-171.2	172.7	0	0	111	K369 T405 L406 N407	E367-K369 IonicContact OE2-NZ 3.19Å; E367-K369 PolarHBondContact OE2-NZ 2.96Å; E367-T405 HydrophobicContact CB-CG2 3.87Å; E367-T405 HydrophobicContact CG-CG2 4.26Å; E367-L406 CarbonylContact C-O 3.49Å; E367-L406 WeakPolarHBondContact CA-O 3.29Å; E367-N407 HydrophobicContact CG-CB 4.43Å
368	L	96.5	Very high	92.4	Very high	3 Å²	3	50.4 Å²	50.4	2%	0.016	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	107	168.3	-58.7	179.2	0	0	0	108.4	P355 L358 W381 T405 L406 F408 Y419	P355-L368 HydrophobicContact CB-CB 4.27Å; L358-L368 HydrophobicContact CB-CD2 4.04Å; L358-L368 HydrophobicContact CD2-CD2 4.22Å; L368-W381 HydrophobicContact CB-CH2 3.62Å; L368-W381 HydrophobicContact CB-CZ2 4.17Å; L368-W381 HydrophobicContact CB-CZ3 4.32Å; L368-W381 HydrophobicContact CD1-CH2 4.36Å; L368-W381 HydrophobicContact CD1-CZ3 4.24Å; L368-W381 WeakPolarHBondContact O-CZ2 3.49Å; L368-T405 WeakPolarHBondContact O-CA 3.36Å; L368-L406 HydrophobicContact CB-CB 4.39Å; L368-L406 PolarHBondContact N-O 3.23Å; L368-L406 PolarHBondContact O-N 2.75Å; L368-F408 HydrophobicContact CD1-CE2 4.39Å; L368-F408 HydrophobicContact CG-CE2 4.4Å; L368-Y419 HydrophobicContact CD1-CD2 4.11Å; L368-Y419 HydrophobicContact CD1-CG 3.96Å
369	K	96.1	Very high	92.4	Very high	60 Å²	60	47.9 Å²	47.9	26%	0.261	28%	0.277	S	S	.	.			trans	-66.1	142.1	-178.3	-58.7	-57.9	-167.1	-171.3	0	111.2	E353 P354 P355 E367 T405	E353-K369 HydrophobicContact CG-CB 3.89Å; E353-K369 HydrophobicContact CG-CG 4.38Å; P354-K369 CarbonylContact C-O 3.41Å; P355-K369 WeakPolarHBondContact CA-O 3.3Å; P355-K369 WeakPolarHBondContact CB-O 3.46Å; P355-K369 VanDerWaalsContact CD-O 3.25Å; P355-K369 WeakPolarHBondContact CD-O 3.38Å; E367-K369 IonicContact OE2-NZ 3.19Å; E367-K369 PolarHBondContact OE2-NZ 2.96Å; K369-T405 HydrophobicContact CD-CG2 3.9Å
370	C	95.4	Very high	92.3	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	25%	0.25	C	C	.	.			trans	-151.5	71	167.2	-170.9	0	0	0	0	109.7	E353 W381 C421	E353-C370 CarbonylContact O-C 3.45Å; E353-C370 VanDerWaalsContact O-CA 3.27Å; E353-C370 WeakPolarHBondContact O-CA 3.49Å; C370-W381 HydrophobicContact CB-CH2 4.41Å; C370-W381 HydrophobicContact CB-CZ2 3.59Å; C370-C421 HydrophobicContact CB-CB 3.74Å; C370-C421 WeakPolarHBondContact CB-SG 3.32Å; C370-C421 WeakPolarHBondContact SG-CB 3.39Å; C370-C421 CovalentContact SG-SG 2.03Å; C370-C421 PolarHBondContact SG-SG 2.94Å
371	R	93.3	Very high	92.4	Very high	112 Å²	112	42.1 Å²	42.1	42%	0.423	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	136.8	-177.4	-62.5	-164	164.3	173.4	-8.4	111.6	I351 V352 E353 D403	I351-R371 CarbonylContact C-O 3.57Å; V352-R371 PolarHBondContact N-O 3.12Å; E353-R371 HydrophobicContact CB-CB 3.88Å; E353-R371 HydrophobicContact CB-CG 4.24Å; E353-R371 PolarHBondContact N-O 3.39Å; E353-R371 PolarHBondContact O-N 3.33Å; E353-R371 WeakPolarHBondContact OE2-CD 3.37Å; E353-R371 WeakPolarHBondContact OE2-CG 3.43Å; E353-R371 IonicContact OE2-NE 2.67Å; R371-D403 IonicContact CZ-OD2 2.74Å; R371-D403 IonicContact NE-OD2 3.72Å; R371-D403 PolarHBondContact NE-OD2 2.91Å; R371-D403 IonicContact NH2-OD2 2.76Å; R371-D403 PolarHBondContact NH2-OD2 2.62Å
372	T	91.2	Very high	92.5	Very high	22 Å²	22	42.7 Å²	42.7	14%	0.135	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	153	-174.9	55	0	0	0	0	111.6	R255 T374 T377 V379 V423	R255-T372 PolarHBondContact NH2-OG1 3.05Å; T372-T374 WeakPolarHBondContact CB-O 3.35Å; T372-T374 PolarHBondContact O-N 3.21Å; T372-T374 PolarHBondContact OG1-O 3.43Å; T372-T377 VanDerWaalsContact CB-OG1 3.24Å; T372-T377 WeakPolarHBondContact CB-OG1 3.44Å; T372-T377 WeakPolarHBondContact CG2-OG1 3.24Å; T372-T377 PolarHBondContact OG1-OG1 2.71Å; T372-T377 VanDerWaalsContact OG1-OG1 3.1Å; T372-V379 HydrophobicContact CG2-CG2 3.66Å; T372-V423 HydrophobicContact CG2-CB 4.4Å; T372-V423 HydrophobicContact CG2-CG1 3.58Å; T372-V423 HydrophobicContact CG2-CG2 3.87Å
373	S	85.1	Confident	92.5	Very high	71 Å²	71	39.6 Å²	39.6	50%	0.497	23%	0.232	S	C	.	.	S	Bend	trans	-63.5	-25.8	178.7	58.5	0	0	0	0	114.2	V350	V350-S373 PolarHBondContact O-N 3.01Å
374	T	84.6	Confident	92.7	Very high	47 Å²	47	40.3 Å²	40.3	29%	0.288	23%	0.23	S	C	.	.	S	Bend	trans	-131.7	146.5	169.7	66	0	0	0	0	110.7	T372 T376 T377	T372-T374 WeakPolarHBondContact CB-O 3.35Å; T372-T374 PolarHBondContact O-N 3.21Å; T372-T374 PolarHBondContact OG1-O 3.43Å; T374-T376 VanDerWaalsContact CB-OG1 3.25Å; T374-T376 WeakPolarHBondContact CB-OG1 3.4Å; T374-T376 PolarHBondContact O-N 2.93Å; T374-T376 PolarHBondContact OG1-OG1 2.98Å; T374-T377 PolarHBondContact O-OG1 3.07Å
375	S	85.8	Confident	92.6	Very high	96 Å²	96	41.3 Å²	41.3	67%	0.671	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-11.6	174.7	50.9	0	0	0	0	113.7	R255	R255-S375 PolarHBondContact NE-O 2.76Å
376	T	88.8	Confident	92.4	Very high	10 Å²	10	40.8 Å²	40.8	6%	0.061	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-20.6	177.6	39.9	0	0	0	0	113.7	S276 P278 H279 D303 T374	S276-T376 VanDerWaalsContact OG-CG2 3.23Å; S276-T376 WeakPolarHBondContact OG-CG2 3.41Å; P278-T376 CarbonylContact C-O 3.53Å; P278-T376 WeakPolarHBondContact CA-O 3.34Å; H279-T376 WeakPolarHBondContact CB-O 3.41Å; H279-T376 PolarHBondContact N-O 2.85Å; D303-T376 HydrophobicContact CB-CG2 4.19Å; D303-T376 PolarHBondContact OD1-OG1 2.96Å; D303-T376 PolarHBondContact OD2-OG1 3.37Å; T374-T376 VanDerWaalsContact CB-OG1 3.25Å; T374-T376 WeakPolarHBondContact CB-OG1 3.4Å; T374-T376 PolarHBondContact O-N 2.93Å; T374-T376 PolarHBondContact OG1-OG1 2.98Å
377	T	92.6	Very high	92.3	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.012	25%	0.249	C	C	.	.	S	Bend	trans	-60.2	144.6	172.6	48.4	0	0	0	0	111.9	R255 P349 T372 T374 V423 N425	R255-T377 PolarHBondContact NE-O 3.14Å; R255-T377 PolarHBondContact NH2-O 3.37Å; R255-T377 VanDerWaalsContact NH2-O 3.13Å; R255-T377 PolarHBondContact NH2-OG1 2.91Å; P349-T377 HydrophobicContact CB-CG2 3.81Å; T372-T377 VanDerWaalsContact CB-OG1 3.24Å; T372-T377 WeakPolarHBondContact CB-OG1 3.44Å; T372-T377 WeakPolarHBondContact CG2-OG1 3.24Å; T372-T377 PolarHBondContact OG1-OG1 2.71Å; T372-T377 VanDerWaalsContact OG1-OG1 3.1Å; T374-T377 PolarHBondContact O-OG1 3.07Å; T377-V423 HydrophobicContact CG2-CG1 4.05Å; T377-N425 HydrophobicContact CG2-CB 4.29Å
378	S	93.1	Very high	92.1	Very high	13 Å²	13	43.3 Å²	43.3	9%	0.091	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	140.8	168.4	-170.5	0	0	0	0	109.2	N380 V423 T424	S378-N380 PolarHBondContact OG-ND2 2.69Å; S378-V423 WeakPolarHBondContact O-CA 3.35Å; S378-T424 WeakPolarHBondContact CB-OG1 3.02Å; S378-T424 PolarHBondContact N-O 3.49Å; S378-T424 VanDerWaalsContact N-O 3.11Å; S378-T424 PolarHBondContact O-N 3.05Å
379	V	94.9	Very high	91.9	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.006	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	116.1	-176.7	-179.2	0	0	0	0	108.8	R255 T372 V423	R255-V379 VanDerWaalsContact NH2-CG2 3.34Å; T372-V379 HydrophobicContact CG2-CG2 3.66Å; V379-V423 HydrophobicContact CG1-CG2 4.49Å; V379-V423 HydrophobicContact CG2-CG1 4.31Å; V379-V423 HydrophobicContact CG2-CG2 4.21Å
380	N	94.8	Very high	91.7	Very high	21 Å²	21	41.3 Å²	41.3	11%	0.112	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	138.7	-178.9	-56.2	-69.4	0	0	0	109.8	S378 L388 M389 T390 M422	S378-N380 PolarHBondContact OG-ND2 2.69Å; N380-L388 HydrophobicContact CB-CD1 3.82Å; N380-L388 HydrophobicContact CB-CG 4.28Å; N380-M389 WeakPolarHBondContact CA-O 3.25Å; N380-T390 WeakPolarHBondContact OD1-CG2 3.47Å; N380-M422 HydrophobicContact CB-CE 4.32Å; N380-M422 PolarHBondContact N-O 3.13Å; N380-M422 PolarHBondContact O-N 2.81Å
381	W	95.9	Very high	91.5	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	136.8	176.9	-80.6	90.2	0	0	0	111.1	P355 L368 C370 L388 M389 V400 G404 L406 T420 C421	P355-W381 HydrophobicContact CB-CH2 3.85Å; P355-W381 HydrophobicContact CG-CH2 3.92Å; L368-W381 HydrophobicContact CB-CH2 3.62Å; L368-W381 HydrophobicContact CB-CZ2 4.17Å; L368-W381 HydrophobicContact CB-CZ3 4.32Å; L368-W381 HydrophobicContact CD1-CH2 4.36Å; L368-W381 HydrophobicContact CD1-CZ3 4.24Å; L368-W381 WeakPolarHBondContact O-CZ2 3.49Å; C370-W381 HydrophobicContact CB-CH2 4.41Å; C370-W381 HydrophobicContact CB-CZ2 3.59Å; W381-L388 CarbonylContact O-C 3.15Å; W381-L388 WeakPolarHBondContact O-CA 3.49Å; W381-M389 HydrophobicContact CB-CB 4.32Å; W381-M389 PolarHBondContact N-O 3.34Å; W381-M389 PolarHBondContact O-N 2.74Å; W381-V400 HydrophobicContact CB-CG2 4.48Å; W381-V400 HydrophobicContact CG-CG2 4.4Å; W381-G404 PolarHBondContact NE1-O 3.11Å; W381-L406 HydrophobicContact CB-CD1 4.27Å; W381-L406 HydrophobicContact CD2-CB 3.85Å; W381-L406 HydrophobicContact CD2-CD2 4.05Å; W381-L406 HydrophobicContact CD2-CG 4.39Å; W381-L406 HydrophobicContact CE3-CB 4.39Å; W381-L406 HydrophobicContact CE3-CD2 4.01Å; W381-L406 HydrophobicContact CG-CB 4.16Å; W381-L406 HydrophobicContact CG-CD1 4.12Å; W381-L406 HydrophobicContact CG-CD2 4.31Å; W381-L406 HydrophobicContact CG-CG 4.45Å; W381-L406 HydrophobicContact CH2-CB 4.36Å; W381-L406 HydrophobicContact CZ2-CB 3.84Å; W381-L406 HydrophobicContact CZ3-CD2 4.49Å; W381-T420 CarbonylContact C-O 3.3Å; W381-T420 WeakPolarHBondContact CA-O 3.46Å; W381-C421 HydrophobicContact CD2-CB 4.06Å; W381-C421 HydrophobicContact CE3-CB 4.08Å; W381-C421 HydrophobicContact CH2-CB 3.83Å; W381-C421 HydrophobicContact CZ2-CB 3.77Å; W381-C421 HydrophobicContact CZ3-CB 3.96Å
382	I	95.7	Very high	91.1	Very high	56 Å²	56	37.6 Å²	37.6	29%	0.287	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	121.9	171.9	-51.3	170.6	0	0	0	107.1	L388 Y419 T420	I382-L388 HydrophobicContact CG1-CD1 3.93Å; I382-Y419 WeakPolarHBondContact O-CA 3.27Å; I382-T420 PolarHBondContact N-O 2.03Å; I382-T420 PolarHBondContact O-N 2.99Å
383	T	93.6	Very high	90.8	Very high	9 Å²	9	38.2 Å²	38.2	6%	0.055	24%	0.243	C	C	.	.			trans	-79.4	166.2	177.5	70.9	0	0	0	0	111.5	N385 G386 T387 M389 Y419	T383-N385 PolarHBondContact O-N 3.32Å; T383-N385 PolarHBondContact OG1-N 3Å; T383-G386 PolarHBondContact O-N 2.92Å; T383-T387 WeakPolarHBondContact CG2-OG1 3.31Å; T383-T387 PolarHBondContact N-O 2.8Å; T383-T387 VanDerWaalsContact N-O 3.15Å; T383-T387 PolarHBondContact OG1-N 3.47Å; T383-T387 PolarHBondContact OG1-O 2.77Å; T383-T387 PolarHBondContact OG1-OG1 2.95Å; T383-M389 HydrophobicContact CG2-CG 4.23Å; T383-M389 HydrophobicContact CG2-SD 3.69Å; T383-Y419 HydrophobicContact CG2-CD1 4.42Å; T383-Y419 HydrophobicContact CG2-CE1 3.99Å
384	P	93.3	Very high	90.3	Very high	55 Å²	55	39.2 Å²	39.2	36%	0.357	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-23.4	173.2	-25.5	32.5	0	0	0	114.1	G386 Q418 Y419	P384-G386 VanDerWaalsContact C-N 3.29Å; P384-G386 PolarHBondContact O-N 3.31Å; P384-Q418 WeakPolarHBondContact CG-O 3.36Å; P384-Y419 VanDerWaalsContact CD-CZ 3.42Å; P384-Y419 HydrophobicContact CG-CD2 4.02Å; P384-Y419 HydrophobicContact CG-CE2 3.65Å
385	N	90.5	Very high	89.9	Confident	132 Å²	132	42.9 Å²	42.9	71%	0.706	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.9	10.7	177.1	-60.7	-65	0	0	0	113.2	T383 T387	T383-N385 PolarHBondContact O-N 3.32Å; T383-N385 PolarHBondContact OG1-N 3Å; N385-T387 HydrophobicContact CB-CG2 4.26Å; N385-T387 PolarHBondContact O-N 2.81Å
386	G	90.4	Very high	89.6	Confident	57 Å²	57	45.1 Å²	45.1	59%	0.588	26%	0.255	S	S	*	.	S	Bend	trans	70.5	5.2	-176.7	0	0	0	0	0	115.1	T383 P384 L388	T383-G386 PolarHBondContact O-N 2.92Å; P384-G386 VanDerWaalsContact C-N 3.29Å; P384-G386 PolarHBondContact O-N 3.31Å; G386-L388 PolarHBondContact O-N 2.83Å
387	T	91.4	Very high	89.6	Confident	46 Å²	46	48.3 Å²	48.3	28%	0.282	27%	0.266	S	S	.	.			trans	-78.8	122.7	-178.1	75.5	0	0	0	0	110.7	T383 N385 R395	T383-T387 WeakPolarHBondContact CG2-OG1 3.31Å; T383-T387 PolarHBondContact N-O 2.8Å; T383-T387 VanDerWaalsContact N-O 3.15Å; T383-T387 PolarHBondContact OG1-N 3.47Å; T383-T387 PolarHBondContact OG1-O 2.77Å; T383-T387 PolarHBondContact OG1-OG1 2.95Å; N385-T387 HydrophobicContact CB-CG2 4.26Å; N385-T387 PolarHBondContact O-N 2.81Å; T387-R395 PolarHBondContact OG1-NH1 3.27Å
388	L	91.8	Very high	89.6	Confident	97 Å²	97	49 Å²	49	51%	0.508	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	143	169.3	-158.8	71.1	0	0	0	110.9	N380 W381 I382 G386 M422	N380-L388 HydrophobicContact CB-CD1 3.82Å; N380-L388 HydrophobicContact CB-CG 4.28Å; W381-L388 CarbonylContact O-C 3.15Å; W381-L388 WeakPolarHBondContact O-CA 3.49Å; I382-L388 HydrophobicContact CG1-CD1 3.93Å; G386-L388 PolarHBondContact O-N 2.83Å; L388-M422 HydrophobicContact CD1-CE 4.42Å
389	M	91.8	Very high	89.6	Confident	0 Å²	0	50 Å²	50	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	135.8	174.1	-71.9	-174.2	52.5	0	0	109.8	N380 W381 T383 R395 I398 V400 L406	N380-M389 WeakPolarHBondContact CA-O 3.25Å; W381-M389 HydrophobicContact CB-CB 4.32Å; W381-M389 PolarHBondContact N-O 3.34Å; W381-M389 PolarHBondContact O-N 2.74Å; T383-M389 HydrophobicContact CG2-CG 4.23Å; T383-M389 HydrophobicContact CG2-SD 3.69Å; M389-R395 PolarHBondContact SD-NH1 3.11Å; M389-R395 VanDerWaalsContact SD-NH1 3.41Å; M389-I398 HydrophobicContact CE-CB 3.99Å; M389-I398 HydrophobicContact CE-CG2 3.77Å; M389-I398 VanDerWaalsContact CE-O 3.27Å; M389-I398 WeakPolarHBondContact CE-O 3.5Å; M389-I398 HydrophobicContact SD-CG2 4.41Å; M389-V400 HydrophobicContact CB-CG2 4.31Å; M389-L406 HydrophobicContact CE-CD1 4.03Å
390	T	92.5	Very high	89.5	Confident	21 Å²	21	50.4 Å²	50.4	13%	0.129	28%	0.279	C	S	.	.			trans	-126	171.2	-174.2	74.1	0	0	0	0	110.4	N380 G392 S393	N380-T390 WeakPolarHBondContact OD1-CG2 3.47Å; T390-G392 PolarHBondContact O-N 3.11Å; T390-G392 PolarHBondContact OG1-N 3.41Å; T390-S393 PolarHBondContact N-OG 2.86Å; T390-S393 VanDerWaalsContact O-CB 3.22Å; T390-S393 WeakPolarHBondContact O-CB 3.27Å; T390-S393 PolarHBondContact O-N 2.83Å; T390-S393 PolarHBondContact O-OG 3.21Å; T390-S393 PolarHBondContact OG1-OG 2.88Å; T390-S393 VanDerWaalsContact OG1-OG 3.06Å
391	H	90.1	Very high	89.4	Confident	24 Å²	24	51.8 Å²	51.8	11%	0.111	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-23.7	176.1	-169.3	-128	0	0	0	112.9	P231 E254 R255 N256 S393 V400 H402	P231-H391 VanDerWaalsContact CG-CE1 3.43Å; P231-H391 WeakPolarHBondContact CG-CE1 3.44Å; P231-H391 WeakPolarHBondContact CG-ND1 3.32Å; P231-H391 WeakPolarHBondContact CG-O 3.18Å; E254-H391 IonicContact OE2-CE1 2.71Å; E254-H391 PolarHBondContact OE2-CE1 3.13Å; R255-H391 HydrophobicContact CB-CB 3.77Å; R255-H391 PolarHBondContact O-ND1 2.91Å; N256-H391 HydrophobicContact CB-CB 4.28Å; N256-H391 WeakPolarHBondContact OD1-CB 3.31Å; N256-H391 PolarHBondContact OD1-N 2.9Å; H391-S393 VanDerWaalsContact C-N 3.34Å; H391-V400 PolarHBondContact CD2-O 3.12Å; H391-H402 PolarHBondContact CD2-N 3.49Å; H391-H402 WeakPolarHBondContact NE2-CA 3.17Å; H391-H402 PolarHBondContact NE2-N 2.87Å; H391-H402 VanDerWaalsContact NE2-N 3.11Å
392	G	84.8	Confident	89.1	Confident	10 Å²	10	57.5 Å²	57.5	10%	0.103	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	4.8	174.2	0	0	0	0	0	114.7	N256 T390 Y394	N256-G392 VanDerWaalsContact CB-N 3.31Å; T390-G392 PolarHBondContact O-N 3.11Å; T390-G392 PolarHBondContact OG1-N 3.41Å; G392-Y394 WeakPolarHBondContact O-CD2 3.33Å; G392-Y394 WeakPolarHBondContact O-CE2 3.37Å; G392-Y394 PolarHBondContact O-N 3.4Å
393	S	86.1	Confident	88.9	Confident	35 Å²	35	56 Å²	56	25%	0.245	31%	0.305	C	S	.	.			trans	-84.6	99.9	-173.9	-66.5	0	0	0	0	112.7	T390 H391 R395	T390-S393 PolarHBondContact N-OG 2.86Å; T390-S393 VanDerWaalsContact O-CB 3.22Å; T390-S393 WeakPolarHBondContact O-CB 3.27Å; T390-S393 PolarHBondContact O-N 2.83Å; T390-S393 PolarHBondContact O-OG 3.21Å; T390-S393 PolarHBondContact OG1-OG 2.88Å; T390-S393 VanDerWaalsContact OG1-OG 3.06Å; H391-S393 VanDerWaalsContact C-N 3.34Å; S393-R395 PolarHBondContact O-N 3.36Å
394	Y	74.1	Confident	88.8	Confident	92 Å²	92	55.5 Å²	55.5	36%	0.361	30%	0.302	S	S	.	.			trans	-71.1	53	-177.3	-50.8	-67	0	0	0	115.9	G232 Q235 D260 G392	G232-Y394 WeakPolarHBondContact CA-OH 3Å; G232-Y394 PolarHBondContact N-OH 2.95Å; Q235-Y394 HydrophobicContact CB-CE1 4.47Å; Q235-Y394 HydrophobicContact CB-CE2 4.43Å; Q235-Y394 HydrophobicContact CG-CD2 4.18Å; Q235-Y394 HydrophobicContact CG-CE1 4.23Å; Q235-Y394 HydrophobicContact CG-CE2 3.78Å; Q235-Y394 VanDerWaalsContact NE2-CD1 3.35Å; Q235-Y394 VanDerWaalsContact NE2-CD2 3.33Å; D260-Y394 WeakPolarHBondContact OD2-CE2 3.41Å; D260-Y394 VanDerWaalsContact OD2-CZ 3.29Å; D260-Y394 PolarHBondContact OD2-OH 3.2Å; G392-Y394 WeakPolarHBondContact O-CD2 3.33Å; G392-Y394 WeakPolarHBondContact O-CE2 3.37Å; G392-Y394 PolarHBondContact O-N 3.4Å
395	R	77.2	Confident	88.9	Confident	123 Å²	123	52.9 Å²	52.9	46%	0.464	29%	0.285	S	S	.	.			trans	-88.5	125	171.5	-78.7	-178.9	175.3	-175.9	-0.8	109.8	T387 M389 S393 R397 I398	T387-R395 PolarHBondContact OG1-NH1 3.27Å; M389-R395 PolarHBondContact SD-NH1 3.11Å; M389-R395 VanDerWaalsContact SD-NH1 3.41Å; S393-R395 PolarHBondContact O-N 3.36Å; R395-R397 VanDerWaalsContact C-N 3.32Å; R395-R397 PolarHBondContact O-N 2.99Å; R395-I398 WeakPolarHBondContact CB-O 3.49Å
396	V	77.7	Confident	89.1	Confident	144 Å²	144	46.6 Å²	46.6	87%	0.873	25%	0.251	S	S	*	.	S	Bend	trans	-67.7	-26.9	-170.4	-176.1	0	0	0	0	113.8
397	R	90.3	Very high	89.3	Confident	77 Å²	77	45.4 Å²	45.4	29%	0.291	23%	0.231	S	C	.	.	S	Bend	trans	-106.7	-25.8	-173.1	-167.3	177	64.1	73.4	-3.5	114.5	R395 F408 T409 N410 D415	R395-R397 VanDerWaalsContact C-N 3.32Å; R395-R397 PolarHBondContact O-N 2.99Å; R397-F408 WeakPolarHBondContact O-CA 3.03Å; R397-T409 PolarHBondContact O-N 3.13Å; R397-T409 PolarHBondContact O-OG1 2.81Å; R397-N410 WeakPolarHBondContact CD-O 3.42Å; R397-N410 HydrophobicContact CG-CB 4.37Å; R397-N410 VanDerWaalsContact CG-O 3.23Å; R397-N410 WeakPolarHBondContact CG-O 3.48Å; R397-N410 PolarHBondContact NH1-O 3Å; R397-D415 IonicContact CZ-OD1 3.89Å; R397-D415 IonicContact CZ-OD2 3.47Å; R397-D415 VanDerWaalsContact CZ-OD2 3.26Å; R397-D415 IonicContact NH1-OD1 2.62Å; R397-D415 PolarHBondContact NH1-OD1 3.13Å; R397-D415 IonicContact NH1-OD2 3.41Å; R397-D415 PolarHBondContact NH1-OD2 3.35Å; R397-D415 VanDerWaalsContact NH2-CG 3.32Å; R397-D415 IonicContact NH2-OD1 2.83Å; R397-D415 PolarHBondContact NH2-OD1 3.06Å; R397-D415 IonicContact NH2-OD2 3.58Å; R397-D415 PolarHBondContact NH2-OD2 3.34Å
398	I	91.6	Very high	89.5	Confident	15 Å²	15	43.2 Å²	43.2	8%	0.077	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	121.9	-179.2	-45.4	174.6	0	0	0	107	M389 R395 L406 N407 F408	M389-I398 HydrophobicContact CE-CB 3.99Å; M389-I398 HydrophobicContact CE-CG2 3.77Å; M389-I398 VanDerWaalsContact CE-O 3.27Å; M389-I398 WeakPolarHBondContact CE-O 3.5Å; M389-I398 HydrophobicContact SD-CG2 4.41Å; R395-I398 WeakPolarHBondContact CB-O 3.49Å; I398-L406 HydrophobicContact CG2-CD1 3.79Å; I398-L406 HydrophobicContact CG2-CD2 4.41Å; I398-L406 HydrophobicContact CG2-CG 4.02Å; I398-N407 CarbonylContact C-O 3.59Å; I398-N407 VanDerWaalsContact CA-O 3.29Å; I398-N407 WeakPolarHBondContact CA-O 3.48Å; I398-F408 HydrophobicContact CB-CD1 4.39Å; I398-F408 HydrophobicContact CD1-CD1 3.88Å; I398-F408 HydrophobicContact CD1-CE1 3.72Å; I398-F408 HydrophobicContact CG1-CD1 3.7Å; I398-F408 HydrophobicContact CG1-CE1 4.02Å; I398-F408 HydrophobicContact CG1-CG 4.46Å; I398-F408 HydrophobicContact CG2-CD1 3.93Å; I398-F408 HydrophobicContact CG2-CD2 4.43Å; I398-F408 HydrophobicContact CG2-CE1 3.86Å; I398-F408 HydrophobicContact CG2-CE2 4.35Å; I398-F408 HydrophobicContact CG2-CG 4.22Å; I398-F408 HydrophobicContact CG2-CZ 4.07Å
399	S	92.5	Very high	89.5	Confident	36 Å²	36	42.6 Å²	42.6	25%	0.252	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	151.6	180	56.2	0	0	0	0	111	N407	S399-N407 PolarHBondContact N-O 3.38Å; S399-N407 PolarHBondContact O-N 2.87Å
400	V	93.6	Very high	89.5	Confident	9 Å²	9	45.9 Å²	45.9	6%	0.055	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	141.1	164.4	-174.7	0	0	0	0	107.2	W381 M389 H391 T405 L406	W381-V400 HydrophobicContact CB-CG2 4.48Å; W381-V400 HydrophobicContact CG-CG2 4.4Å; M389-V400 HydrophobicContact CB-CG2 4.31Å; H391-V400 PolarHBondContact CD2-O 3.12Å; V400-T405 CarbonylContact C-O 3.59Å; V400-T405 WeakPolarHBondContact CA-O 3.33Å; V400-L406 HydrophobicContact CG2-CD1 3.88Å
401	L	92.1	Very high	89.6	Confident	50 Å²	50	44.9 Å²	44.9	26%	0.262	23%	0.23	S	C	.	.			trans	-96.9	163.6	175.9	-59.3	-176.2	0	0	0	111.5	D403 G404 T405 N407	L401-D403 PolarHBondContact O-N 2.83Å; L401-D403 VanDerWaalsContact O-N 3.09Å; L401-G404 PolarHBondContact O-N 3.05Å; L401-T405 HydrophobicContact CD1-CG2 4.29Å; L401-T405 PolarHBondContact N-O 2.89Å; L401-N407 HydrophobicContact CD1-CB 4Å; L401-N407 HydrophobicContact CD2-CB 4.09Å; L401-N407 HydrophobicContact CG-CB 3.9Å
402	H	89.7	Confident	89.7	Confident	120 Å²	120	45.3 Å²	45.3	56%	0.556	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-26.4	-175.1	73.5	88.2	0	0	0	113.7	R255 H391	R255-H402 PolarHBondContact NH1-O 2.7Å; H391-H402 PolarHBondContact CD2-N 3.49Å; H391-H402 WeakPolarHBondContact NE2-CA 3.17Å; H391-H402 PolarHBondContact NE2-N 2.87Å; H391-H402 VanDerWaalsContact NE2-N 3.11Å
403	D	91.2	Very high	90	Very high	23 Å²	23	48.7 Å²	48.7	12%	0.123	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-18.8	177.3	71.9	-10.8	0	0	0	113.7	R255 R371 L401 T405	R255-D403 PolarHBondContact NH1-O 2.96Å; R255-D403 VanDerWaalsContact NH1-O 3.1Å; R371-D403 IonicContact CZ-OD2 2.74Å; R371-D403 IonicContact NE-OD2 3.72Å; R371-D403 PolarHBondContact NE-OD2 2.91Å; R371-D403 IonicContact NH2-OD2 2.76Å; R371-D403 PolarHBondContact NH2-OD2 2.62Å; L401-D403 PolarHBondContact O-N 2.83Å; L401-D403 VanDerWaalsContact O-N 3.09Å; D403-T405 VanDerWaalsContact CG-OG1 3.29Å; D403-T405 WeakPolarHBondContact OD1-CB 3.41Å; D403-T405 PolarHBondContact OD1-N 2.89Å; D403-T405 PolarHBondContact OD1-OG1 2.77Å; D403-T405 PolarHBondContact OD2-OG1 2.8Å; D403-T405 VanDerWaalsContact OD2-OG1 3.06Å
404	G	92.1	Very high	90.3	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	28%	0.278	C	S	.	.	S	Bend	trans	113.2	-9.1	-176.4	0	0	0	0	0	114.6	W381 L401	W381-G404 PolarHBondContact NE1-O 3.11Å; L401-G404 PolarHBondContact O-N 3.05Å
405	T	94.6	Very high	91.2	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	26%	0.264	C	S	.	.			trans	-64.3	137.8	178.9	-59.2	0	0	0	0	111.9	E367 L368 K369 V400 L401 D403	E367-T405 HydrophobicContact CB-CG2 3.87Å; E367-T405 HydrophobicContact CG-CG2 4.26Å; L368-T405 WeakPolarHBondContact O-CA 3.36Å; K369-T405 HydrophobicContact CD-CG2 3.9Å; V400-T405 CarbonylContact C-O 3.59Å; V400-T405 WeakPolarHBondContact CA-O 3.33Å; L401-T405 HydrophobicContact CD1-CG2 4.29Å; L401-T405 PolarHBondContact N-O 2.89Å; D403-T405 VanDerWaalsContact CG-OG1 3.29Å; D403-T405 WeakPolarHBondContact OD1-CB 3.41Å; D403-T405 PolarHBondContact OD1-N 2.89Å; D403-T405 PolarHBondContact OD1-OG1 2.77Å; D403-T405 PolarHBondContact OD2-OG1 2.8Å; D403-T405 VanDerWaalsContact OD2-OG1 3.06Å
406	L	95.4	Very high	92	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	115.6	167.8	-171.6	70.7	0	0	0	109.4	E367 L368 W381 M389 I398 V400 F408 Y419	E367-L406 CarbonylContact C-O 3.49Å; E367-L406 WeakPolarHBondContact CA-O 3.29Å; L368-L406 HydrophobicContact CB-CB 4.39Å; L368-L406 PolarHBondContact N-O 3.23Å; L368-L406 PolarHBondContact O-N 2.75Å; W381-L406 HydrophobicContact CB-CD1 4.27Å; W381-L406 HydrophobicContact CD2-CB 3.85Å; W381-L406 HydrophobicContact CD2-CD2 4.05Å; W381-L406 HydrophobicContact CD2-CG 4.39Å; W381-L406 HydrophobicContact CE3-CB 4.39Å; W381-L406 HydrophobicContact CE3-CD2 4.01Å; W381-L406 HydrophobicContact CG-CB 4.16Å; W381-L406 HydrophobicContact CG-CD1 4.12Å; W381-L406 HydrophobicContact CG-CD2 4.31Å; W381-L406 HydrophobicContact CG-CG 4.45Å; W381-L406 HydrophobicContact CH2-CB 4.36Å; W381-L406 HydrophobicContact CZ2-CB 3.84Å; W381-L406 HydrophobicContact CZ3-CD2 4.49Å; M389-L406 HydrophobicContact CE-CD1 4.03Å; I398-L406 HydrophobicContact CG2-CD1 3.79Å; I398-L406 HydrophobicContact CG2-CD2 4.41Å; I398-L406 HydrophobicContact CG2-CG 4.02Å; V400-L406 HydrophobicContact CG2-CD1 3.88Å; L406-F408 HydrophobicContact CB-CE2 4.46Å; L406-F408 HydrophobicContact CD2-CE2 3.69Å; L406-F408 HydrophobicContact CD2-CZ 3.7Å; L406-F408 HydrophobicContact CG-CE2 3.78Å; L406-F408 HydrophobicContact CG-CZ 4.2Å; L406-Y419 HydrophobicContact CD2-CD1 3.47Å; L406-Y419 VanDerWaalsContact CD2-CD1 3.47Å; L406-Y419 HydrophobicContact CD2-CE1 3.8Å; L406-Y419 HydrophobicContact CD2-CG 4.32Å
407	N	95.2	Very high	92.9	Very high	31 Å²	31	44.9 Å²	44.9	17%	0.166	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	136.5	-177.5	-176.6	-11.5	0	0	0	110.7	E367 I398 S399 L401	E367-N407 HydrophobicContact CG-CB 4.43Å; I398-N407 CarbonylContact C-O 3.59Å; I398-N407 VanDerWaalsContact CA-O 3.29Å; I398-N407 WeakPolarHBondContact CA-O 3.48Å; S399-N407 PolarHBondContact N-O 3.38Å; S399-N407 PolarHBondContact O-N 2.87Å; L401-N407 HydrophobicContact CD1-CB 4Å; L401-N407 HydrophobicContact CD2-CB 4.09Å; L401-N407 HydrophobicContact CG-CB 3.9Å
408	F	94.6	Very high	93.2	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	115.3	175.3	-59.9	-112.4	0	0	0	108.6	A365 A366 L368 R397 I398 L406 N410 V411 D415 Y419 L436	A365-F408 CarbonylContact C-O 3.4Å; A365-F408 WeakPolarHBondContact CA-O 3.5Å; A365-F408 WeakPolarHBondContact CB-O 3.31Å; A366-F408 HydrophobicContact CB-CB 4.25Å; A366-F408 HydrophobicContact CB-CD2 4.33Å; A366-F408 PolarHBondContact N-O 3.28Å; A366-F408 PolarHBondContact O-N 3.3Å; L368-F408 HydrophobicContact CD1-CE2 4.39Å; L368-F408 HydrophobicContact CG-CE2 4.4Å; R397-F408 WeakPolarHBondContact O-CA 3.03Å; I398-F408 HydrophobicContact CB-CD1 4.39Å; I398-F408 HydrophobicContact CD1-CD1 3.88Å; I398-F408 HydrophobicContact CD1-CE1 3.72Å; I398-F408 HydrophobicContact CG1-CD1 3.7Å; I398-F408 HydrophobicContact CG1-CE1 4.02Å; I398-F408 HydrophobicContact CG1-CG 4.46Å; I398-F408 HydrophobicContact CG2-CD1 3.93Å; I398-F408 HydrophobicContact CG2-CD2 4.43Å; I398-F408 HydrophobicContact CG2-CE1 3.86Å; I398-F408 HydrophobicContact CG2-CE2 4.35Å; I398-F408 HydrophobicContact CG2-CG 4.22Å; I398-F408 HydrophobicContact CG2-CZ 4.07Å; L406-F408 HydrophobicContact CB-CE2 4.46Å; L406-F408 HydrophobicContact CD2-CE2 3.69Å; L406-F408 HydrophobicContact CD2-CZ 3.7Å; L406-F408 HydrophobicContact CG-CE2 3.78Å; L406-F408 HydrophobicContact CG-CZ 4.2Å; F408-N410 VanDerWaalsContact C-N 3.31Å; F408-N410 PolarHBondContact O-N 3.21Å; F408-V411 HydrophobicContact CB-CG2 3.58Å; F408-V411 HydrophobicContact CD1-CG2 4.23Å; F408-V411 HydrophobicContact CG-CG2 4.07Å; F408-D415 HydrophobicContact CE1-CB 4.23Å; F408-Y419 HydrophobicContact CE1-CE1 4.29Å; F408-Y419 AromaticContact CE1-CZ 4Å; F408-Y419 HydrophobicContact CZ-CD1 4.41Å; F408-Y419 AromaticContact CZ-CE1 3.76Å; F408-Y419 HydrophobicContact CZ-CE1 3.76Å; F408-Y419 HydrophobicContact CZ-CE2 4.29Å; F408-Y419 AromaticContact CZ-CZ 3.7Å; F408-L436 HydrophobicContact CD1-CD2 4.31Å; F408-L436 HydrophobicContact CE1-CD2 3.74Å; F408-L436 HydrophobicContact CE2-CD2 4.21Å; F408-L436 HydrophobicContact CZ-CD2 3.69Å
409	T	92.7	Very high	93.4	Very high	84 Å²	84	45.8 Å²	45.8	52%	0.515	23%	0.233	S	C	.	.	S	Bend	trans	-76	-22.1	179.9	56.5	0	0	0	0	113.3	R397	R397-T409 PolarHBondContact O-N 3.13Å; R397-T409 PolarHBondContact O-OG1 2.81Å
410	N	92.1	Very high	93.7	Very high	70 Å²	70	45.5 Å²	45.5	37%	0.374	23%	0.23	S	C	.	.	S	Bend	trans	-157.9	120	173.6	-178.6	-66.1	0	0	0	107.5	G363 M364 R397 F408	G363-N410 PolarHBondContact O-ND2 3.02Å; M364-N410 WeakPolarHBondContact O-CA 3.27Å; R397-N410 WeakPolarHBondContact CD-O 3.42Å; R397-N410 HydrophobicContact CG-CB 4.37Å; R397-N410 VanDerWaalsContact CG-O 3.23Å; R397-N410 WeakPolarHBondContact CG-O 3.48Å; R397-N410 PolarHBondContact NH1-O 3Å; F408-N410 VanDerWaalsContact C-N 3.31Å; F408-N410 PolarHBondContact O-N 3.21Å
411	V	93.5	Very high	93.8	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.227	C	C	.	.			trans	-91.7	138.8	-178.3	179.8	0	0	0	0	110.7	V360 E362 G363 M364 A366 F408 D415 L436 V438	V360-V411 HydrophobicContact CG1-CG2 4.43Å; E362-V411 WeakPolarHBondContact CA-O 3.09Å; G363-V411 PolarHBondContact N-O 3.28Å; M364-V411 WeakPolarHBondContact O-CG2 3.46Å; M364-V411 PolarHBondContact O-N 2.91Å; A366-V411 HydrophobicContact CB-CG2 3.56Å; F408-V411 HydrophobicContact CB-CG2 3.58Å; F408-V411 HydrophobicContact CD1-CG2 4.23Å; F408-V411 HydrophobicContact CG-CG2 4.07Å; V411-D415 HydrophobicContact CG1-CB 4.34Å; V411-L436 HydrophobicContact CG1-CD2 4.31Å; V411-V438 HydrophobicContact CG1-CB 4.21Å; V411-V438 HydrophobicContact CG1-CG1 3.77Å; V411-V438 HydrophobicContact CG1-CG2 3.33Å
412	T	92.8	Very high	94	Very high	32 Å²	32	45 Å²	45	20%	0.196	23%	0.226	C	C	.	.			trans	-119.6	157.2	179	68.7	0	0	0	0	111.1	E362 R414 D415	E362-T412 VanDerWaalsContact OE1-CA 3.32Å; E362-T412 WeakPolarHBondContact OE1-CA 3.41Å; T412-R414 PolarHBondContact O-N 3.09Å; T412-D415 WeakPolarHBondContact CA-OD2 3.41Å; T412-D415 WeakPolarHBondContact CB-OD2 3.32Å; T412-D415 PolarHBondContact N-OD2 2.85Å; T412-D415 WeakPolarHBondContact O-CB 3.33Å; T412-D415 PolarHBondContact O-N 2.98Å; T412-D415 PolarHBondContact OG1-OD2 2.99Å
413	L	91.8	Very high	94.3	Very high	81 Å²	81	39.2 Å²	39.2	42%	0.424	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-55.1	-18.9	177.2	-71.4	170.6	0	0	0	114.5	E362 D415 V438 A440	E362-L413 PolarHBondContact OE1-N 3.27Å; L413-D415 VanDerWaalsContact C-N 3.35Å; L413-V438 HydrophobicContact CD2-CB 4.41Å; L413-V438 HydrophobicContact CD2-CG1 4.2Å; L413-V438 VanDerWaalsContact CD2-O 3.31Å; L413-V438 WeakPolarHBondContact CD2-O 3.45Å; L413-A440 HydrophobicContact CD1-CB 4.38Å; L413-A440 HydrophobicContact CD2-CB 4.4Å
414	R	91.4	Very high	94.4	Very high	226 Å²	226	39.3 Å²	39.3	85%	0.853	20%	0.201	S	C	*	.	G	3₁₀ helix	trans	-83.5	-6.7	177.2	-62.1	-174.9	-178	-173.2	0.8	114.4	T412	T412-R414 PolarHBondContact O-N 3.09Å
415	D	92.8	Very high	94.4	Very high	11 Å²	11	40.7 Å²	40.7	6%	0.059	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-90.3	-4	176.5	-56	-60.2	0	0	0	112.4	R397 F408 V411 T412 L413 G417 Y419 L436	R397-D415 IonicContact CZ-OD1 3.89Å; R397-D415 IonicContact CZ-OD2 3.47Å; R397-D415 VanDerWaalsContact CZ-OD2 3.26Å; R397-D415 IonicContact NH1-OD1 2.62Å; R397-D415 PolarHBondContact NH1-OD1 3.13Å; R397-D415 IonicContact NH1-OD2 3.41Å; R397-D415 PolarHBondContact NH1-OD2 3.35Å; R397-D415 VanDerWaalsContact NH2-CG 3.32Å; R397-D415 IonicContact NH2-OD1 2.83Å; R397-D415 PolarHBondContact NH2-OD1 3.06Å; R397-D415 IonicContact NH2-OD2 3.58Å; R397-D415 PolarHBondContact NH2-OD2 3.34Å; F408-D415 HydrophobicContact CE1-CB 4.23Å; V411-D415 HydrophobicContact CG1-CB 4.34Å; T412-D415 WeakPolarHBondContact CA-OD2 3.41Å; T412-D415 WeakPolarHBondContact CB-OD2 3.32Å; T412-D415 PolarHBondContact N-OD2 2.85Å; T412-D415 WeakPolarHBondContact O-CB 3.33Å; T412-D415 PolarHBondContact O-N 2.98Å; T412-D415 PolarHBondContact OG1-OD2 2.99Å; L413-D415 VanDerWaalsContact C-N 3.35Å; D415-G417 PolarHBondContact O-N 3.16Å; D415-Y419 VanDerWaalsContact O-CE2 3.28Å; D415-Y419 WeakPolarHBondContact O-CE2 3.46Å; D415-Y419 PolarHBondContact O-OH 2.8Å; D415-Y419 VanDerWaalsContact O-OH 3.14Å; D415-L436 HydrophobicContact CB-CD2 4.14Å
416	T	94.8	Very high	94.2	Very high	60 Å²	60	41.5 Å²	41.5	37%	0.368	22%	0.215	S	C	.	.			trans	-61.1	127.9	174.6	-65.5	0	0	0	0	111.3	L436 V438	T416-L436 CarbonylContact C-O 3.56Å; T416-L436 WeakPolarHBondContact CA-O 3.45Å; T416-V438 VanDerWaalsContact OG1-CB 3.32Å; T416-V438 WeakPolarHBondContact OG1-CB 3.03Å; T416-V438 WeakPolarHBondContact OG1-CG2 3Å; T416-V438 PolarHBondContact OG1-N 2.94Å
417	G	95.4	Very high	93.9	Very high	17 Å²	17	43.5 Å²	43.5	18%	0.175	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	153	-175.3	174	0	0	0	0	0	114.1	D415 Y419 V435 L436	D415-G417 PolarHBondContact O-N 3.16Å; G417-Y419 WeakPolarHBondContact O-CD2 3.49Å; G417-V435 WeakPolarHBondContact O-CA 3.43Å; G417-L436 PolarHBondContact N-O 3.28Å; G417-L436 PolarHBondContact O-N 2.92Å
418	Q	96.9	Very high	93.8	Very high	108 Å²	108	43.4 Å²	43.4	51%	0.505	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	123.8	178.7	-169.3	179	14.5	0	0	111.5	P384 T433 V435	P384-Q418 WeakPolarHBondContact CG-O 3.36Å; Q418-T433 PolarHBondContact NE2-OG1 3.08Å; Q418-V435 HydrophobicContact CB-CG2 4.47Å
419	Y	97.2	Very high	93.8	Very high	4 Å²	4	48.6 Å²	48.6	2%	0.016	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	136.1	171.8	-71.4	-102	0	0	0	109.5	L368 I382 T383 P384 L406 F408 D415 G417 T433 A434 L436	L368-Y419 HydrophobicContact CD1-CD2 4.11Å; L368-Y419 HydrophobicContact CD1-CG 3.96Å; I382-Y419 WeakPolarHBondContact O-CA 3.27Å; T383-Y419 HydrophobicContact CG2-CD1 4.42Å; T383-Y419 HydrophobicContact CG2-CE1 3.99Å; P384-Y419 VanDerWaalsContact CD-CZ 3.42Å; P384-Y419 HydrophobicContact CG-CD2 4.02Å; P384-Y419 HydrophobicContact CG-CE2 3.65Å; L406-Y419 HydrophobicContact CD2-CD1 3.47Å; L406-Y419 VanDerWaalsContact CD2-CD1 3.47Å; L406-Y419 HydrophobicContact CD2-CE1 3.8Å; L406-Y419 HydrophobicContact CD2-CG 4.32Å; F408-Y419 HydrophobicContact CE1-CE1 4.29Å; F408-Y419 AromaticContact CE1-CZ 4Å; F408-Y419 HydrophobicContact CZ-CD1 4.41Å; F408-Y419 AromaticContact CZ-CE1 3.76Å; F408-Y419 HydrophobicContact CZ-CE1 3.76Å; F408-Y419 HydrophobicContact CZ-CE2 4.29Å; F408-Y419 AromaticContact CZ-CZ 3.7Å; D415-Y419 VanDerWaalsContact O-CE2 3.28Å; D415-Y419 WeakPolarHBondContact O-CE2 3.46Å; D415-Y419 PolarHBondContact O-OH 2.8Å; D415-Y419 VanDerWaalsContact O-OH 3.14Å; G417-Y419 WeakPolarHBondContact O-CD2 3.49Å; Y419-T433 WeakPolarHBondContact O-CA 3.5Å; Y419-A434 PolarHBondContact N-O 2.89Å; Y419-A434 PolarHBondContact O-N 2.94Å; Y419-L436 HydrophobicContact CD2-CB 4.02Å; Y419-L436 HydrophobicContact CE2-CB 3.86Å; Y419-L436 HydrophobicContact CE2-CD2 4.12Å
420	T	97.1	Very high	93.9	Very high	29 Å²	29	46.6 Å²	46.6	18%	0.178	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	120	176.5	-54.8	0	0	0	0	109.9	W381 I382 T431 T433	W381-T420 CarbonylContact C-O 3.3Å; W381-T420 WeakPolarHBondContact CA-O 3.46Å; I382-T420 PolarHBondContact N-O 2.03Å; I382-T420 PolarHBondContact O-N 2.99Å; T420-T431 HydrophobicContact CG2-CG2 4.21Å; T420-T433 HydrophobicContact CG2-CG2 3.94Å; T420-T433 WeakPolarHBondContact OG1-CG2 3.47Å
421	C	97.1	Very high	94.1	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	126	162.3	-175.3	0	0	0	0	108.8	C370 W381 T431 A432	C370-C421 HydrophobicContact CB-CB 3.74Å; C370-C421 WeakPolarHBondContact CB-SG 3.32Å; C370-C421 WeakPolarHBondContact SG-CB 3.39Å; C370-C421 CovalentContact SG-SG 2.03Å; C370-C421 PolarHBondContact SG-SG 2.94Å; W381-C421 HydrophobicContact CD2-CB 4.06Å; W381-C421 HydrophobicContact CE3-CB 4.08Å; W381-C421 HydrophobicContact CH2-CB 3.83Å; W381-C421 HydrophobicContact CZ2-CB 3.77Å; W381-C421 HydrophobicContact CZ3-CB 3.96Å; C421-T431 CarbonylContact O-C 3.57Å; C421-T431 VanDerWaalsContact O-CA 3.27Å; C421-T431 WeakPolarHBondContact O-CA 3.39Å; C421-A432 PolarHBondContact N-O 2.81Å; C421-A432 PolarHBondContact O-N 3.1Å
422	M	95.4	Very high	94.2	Very high	48 Å²	48	48.2 Å²	48.2	24%	0.236	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	117.3	175.2	-179.2	175.7	67.1	0	0	109.2	N380 L388 T424 T431	N380-M422 HydrophobicContact CB-CE 4.32Å; N380-M422 PolarHBondContact N-O 3.13Å; N380-M422 PolarHBondContact O-N 2.81Å; L388-M422 HydrophobicContact CD1-CE 4.42Å; M422-T424 HydrophobicContact CG-CG2 4.48Å; M422-T431 HydrophobicContact CB-CG2 4.03Å; M422-T431 HydrophobicContact CG-CG2 3.94Å
423	V	95.6	Very high	94.4	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	134.1	-179.8	-174.5	0	0	0	0	109.1	P349 I351 T372 T377 S378 V379 N429 T430	P349-V423 HydrophobicContact CB-CB 4.49Å; P349-V423 HydrophobicContact CB-CG1 3.71Å; P349-V423 HydrophobicContact CG-CB 4.2Å; P349-V423 HydrophobicContact CG-CG1 3.85Å; P349-V423 WeakPolarHBondContact CG-O 3.27Å; I351-V423 HydrophobicContact CD1-CG2 3.95Å; I351-V423 HydrophobicContact CG1-CB 4.43Å; I351-V423 HydrophobicContact CG1-CG2 3.88Å; T372-V423 HydrophobicContact CG2-CB 4.4Å; T372-V423 HydrophobicContact CG2-CG1 3.58Å; T372-V423 HydrophobicContact CG2-CG2 3.87Å; T377-V423 HydrophobicContact CG2-CG1 4.05Å; S378-V423 WeakPolarHBondContact O-CA 3.35Å; V379-V423 HydrophobicContact CG1-CG2 4.49Å; V379-V423 HydrophobicContact CG2-CG1 4.31Å; V379-V423 HydrophobicContact CG2-CG2 4.21Å; V423-N429 WeakPolarHBondContact O-CA 3.15Å; V423-T430 PolarHBondContact N-O 3.14Å; V423-T430 PolarHBondContact O-N 3.44Å
424	T	93.6	Very high	94.7	Very high	25 Å²	25	46.2 Å²	46.2	15%	0.153	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	151.4	177.4	67.1	0	0	0	0	112.3	H279 S378 M422 N429	H279-T424 VanDerWaalsContact CD2-C 3.41Å; H279-T424 PolarHBondContact CD2-O 2.95Å; H279-T424 VanDerWaalsContact CD2-O 3.27Å; H279-T424 PolarHBondContact CD2-OG1 2.86Å; H279-T424 PolarHBondContact NE2-OG1 2.88Å; S378-T424 WeakPolarHBondContact CB-OG1 3.02Å; S378-T424 PolarHBondContact N-O 3.49Å; S378-T424 VanDerWaalsContact N-O 3.11Å; S378-T424 PolarHBondContact O-N 3.05Å; M422-T424 HydrophobicContact CG-CG2 4.48Å; T424-N429 HydrophobicContact CG2-CB 3.92Å
425	N	93	Very high	94.9	Very high	28 Å²	28	38.5 Å²	38.5	15%	0.15	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	175.8	165.3	75.8	6.1	0	0	0	110.1	H279 F347 P349 T377 A427 G428	H279-N425 VanDerWaalsContact CD2-CA 3.41Å; H279-N425 WeakPolarHBondContact CD2-CA 3.04Å; H279-N425 VanDerWaalsContact NE2-C 3.31Å; H279-N425 WeakPolarHBondContact NE2-CA 3.45Å; F347-N425 PolarHBondContact O-ND2 3.38Å; P349-N425 HydrophobicContact CB-CB 4.33Å; T377-N425 HydrophobicContact CG2-CB 4.29Å; N425-A427 PolarHBondContact O-N 3.48Å; N425-A427 WeakPolarHBondContact OD1-CA 3.43Å; N425-A427 PolarHBondContact OD1-N 3.05Å; N425-G428 PolarHBondContact N-O 2.87Å; N425-G428 PolarHBondContact O-N 3.25Å; N425-G428 VanDerWaalsContact O-N 3.11Å; N425-G428 PolarHBondContact OD1-N 3.45Å; N425-G428 PolarHBondContact OD1-O 3.42Å
426	A	89.5	Confident	95.1	Very high	18 Å²	18	38 Å²	38	15%	0.149	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	1.1	179.4	0	0	0	0	0	115.7	L305 W306 W309	L305-A426 HydrophobicContact CB-CB 3.81Å; W306-A426 HydrophobicContact CB-CB 4.31Å; W309-A426 HydrophobicContact CH2-CB 4.28Å; W309-A426 WeakPolarHBondContact CH2-O 3.48Å; W309-A426 HydrophobicContact CZ3-CB 4.04Å
427	A	90.3	Very high	95.1	Very high	42 Å²	42	38.7 Å²	38.7	35%	0.347	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.3	-7.1	176.8	0	0	0	0	0	113.9	C346 N425	C346-A427 HydrophobicContact CB-CB 3.74Å; N425-A427 PolarHBondContact O-N 3.48Å; N425-A427 WeakPolarHBondContact OD1-CA 3.43Å; N425-A427 PolarHBondContact OD1-N 3.05Å
428	G	91.4	Very high	95.1	Very high	28 Å²	28	38.3 Å²	38.3	29%	0.289	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	156.5	-170.4	176.7	0	0	0	0	0	114.8	P349 N425	P349-G428 WeakPolarHBondContact CD-O 3.33Å; N425-G428 PolarHBondContact N-O 2.87Å; N425-G428 PolarHBondContact O-N 3.25Å; N425-G428 VanDerWaalsContact O-N 3.11Å; N425-G428 PolarHBondContact OD1-N 3.45Å; N425-G428 PolarHBondContact OD1-O 3.42Å
429	N	94.5	Very high	94.9	Very high	109 Å²	109	36 Å²	36	58%	0.583	23%	0.225	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-122.2	148.7	-179.6	58.4	-18.3	0	0	0	111.7	V423 T424	V423-N429 WeakPolarHBondContact O-CA 3.15Å; T424-N429 HydrophobicContact CG2-CB 3.92Å
430	T	95.4	Very high	94.3	Very high	42 Å²	42	38.5 Å²	38.5	26%	0.258	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	135.3	175.5	-55.7	0	0	0	0	108.7	P349 I351 V423	P349-T430 WeakPolarHBondContact CD-OG1 3.45Å; P349-T430 WeakPolarHBondContact O-CB 3.46Å; P349-T430 PolarHBondContact O-OG1 2.97Å; I351-T430 HydrophobicContact CD1-CG2 3.98Å; I351-T430 HydrophobicContact CG1-CG2 4.12Å; V423-T430 PolarHBondContact N-O 3.14Å; V423-T430 PolarHBondContact O-N 3.44Å
431	T	96.3	Very high	93.3	Very high	86 Å²	86	40.1 Å²	40.1	53%	0.528	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	144.5	-179.4	50.4	0	0	0	0	111.7	T420 C421 M422	T420-T431 HydrophobicContact CG2-CG2 4.21Å; C421-T431 CarbonylContact O-C 3.57Å; C421-T431 VanDerWaalsContact O-CA 3.27Å; C421-T431 WeakPolarHBondContact O-CA 3.39Å; M422-T431 HydrophobicContact CB-CG2 4.03Å; M422-T431 HydrophobicContact CG-CG2 3.94Å
432	A	96.6	Very high	91.9	Very high	19 Å²	19	45.4 Å²	45.4	16%	0.157	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	144.5	168.3	0	0	0	0	0	109.9	I351 P354 P355 C421	I351-A432 HydrophobicContact CD1-CB 3.74Å; P354-A432 HydrophobicContact CB-CB 4.17Å; P355-A432 HydrophobicContact CG-CB 4.23Å; C421-A432 PolarHBondContact N-O 2.81Å; C421-A432 PolarHBondContact O-N 3.1Å
433	T	96.9	Very high	90	Very high	70 Å²	70	48.5 Å²	48.5	43%	0.429	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	141.9	-174.4	64.8	0	0	0	0	111.6	Q418 Y419 T420	Q418-T433 PolarHBondContact NE2-OG1 3.08Å; Y419-T433 WeakPolarHBondContact O-CA 3.5Å; T420-T433 HydrophobicContact CG2-CG2 3.94Å; T420-T433 WeakPolarHBondContact OG1-CG2 3.47Å
434	A	97.3	Very high	88	Confident	1 Å²	1	53 Å²	53	1%	0.008	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	155.2	169.2	0	0	0	0	0	110.8	P355 D357 Y419	P355-A434 HydrophobicContact CB-CB 3.72Å; P355-A434 HydrophobicContact CG-CB 4.16Å; D357-A434 WeakPolarHBondContact OD1-CA 3.22Å; Y419-A434 PolarHBondContact N-O 2.89Å; Y419-A434 PolarHBondContact O-N 2.94Å
435	V	96.7	Very high	86.1	Confident	63 Å²	63	55.5 Å²	55.5	38%	0.382	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	121	174.2	-176.7	0	0	0	0	109.3	D357 L358 G417 Q418	D357-V435 WeakPolarHBondContact CA-O 3.24Å; D357-V435 PolarHBondContact OD1-N 3.02Å; L358-V435 PolarHBondContact N-O 2.9Å; G417-V435 WeakPolarHBondContact O-CA 3.43Å; Q418-V435 HydrophobicContact CB-CG2 4.47Å
436	L	96.5	Very high	83.4	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	127.7	163.8	-178.2	64.6	0	0	0	107.9	L358 V360 F408 V411 D415 T416 G417 Y419 V438	L358-L436 HydrophobicContact CB-CD1 4.25Å; L358-L436 HydrophobicContact CD2-CD1 4.27Å; L358-L436 HydrophobicContact CG-CD1 4.49Å; V360-L436 HydrophobicContact CG2-CD1 3.86Å; F408-L436 HydrophobicContact CD1-CD2 4.31Å; F408-L436 HydrophobicContact CE1-CD2 3.74Å; F408-L436 HydrophobicContact CE2-CD2 4.21Å; F408-L436 HydrophobicContact CZ-CD2 3.69Å; V411-L436 HydrophobicContact CG1-CD2 4.31Å; D415-L436 HydrophobicContact CB-CD2 4.14Å; T416-L436 CarbonylContact C-O 3.56Å; T416-L436 WeakPolarHBondContact CA-O 3.45Å; G417-L436 PolarHBondContact N-O 3.28Å; G417-L436 PolarHBondContact O-N 2.92Å; Y419-L436 HydrophobicContact CD2-CB 4.02Å; Y419-L436 HydrophobicContact CE2-CB 3.86Å; Y419-L436 HydrophobicContact CE2-CD2 4.12Å; L436-V438 HydrophobicContact CD2-CG2 4.46Å; L436-V438 HydrophobicContact CG-CG2 4.22Å
437	N	95.4	Very high	81.6	Confident	76 Å²	76	69.6 Å²	69.6	41%	0.406	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	118.7	179.5	178.3	36.3	0	0	0	109.7	L358 N359 V360	L358-N437 PolarHBondContact O-N 2.87Å; N359-N437 WeakPolarHBondContact CA-O 3.23Å; N359-N437 WeakPolarHBondContact OD1-CB 3.25Å; N359-N437 PolarHBondContact OD1-ND2 2.75Å; V360-N437 PolarHBondContact N-O 3.49Å
438	V	94.3	Very high	79.3	Confident	8 Å²	8	72.7 Å²	72.7	5%	0.048	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	116.1	-173.2	-167.6	0	0	0	0	110.1	V360 E362 V411 L413 T416 L436	V360-V438 CarbonylContact O-C 3.59Å; V360-V438 VanDerWaalsContact O-CA 3.27Å; V360-V438 WeakPolarHBondContact O-CA 3.28Å; E362-V438 HydrophobicContact CB-CG1 4.22Å; V411-V438 HydrophobicContact CG1-CB 4.21Å; V411-V438 HydrophobicContact CG1-CG1 3.77Å; V411-V438 HydrophobicContact CG1-CG2 3.33Å; L413-V438 HydrophobicContact CD2-CB 4.41Å; L413-V438 HydrophobicContact CD2-CG1 4.2Å; L413-V438 VanDerWaalsContact CD2-O 3.31Å; L413-V438 WeakPolarHBondContact CD2-O 3.45Å; T416-V438 VanDerWaalsContact OG1-CB 3.32Å; T416-V438 WeakPolarHBondContact OG1-CB 3.03Å; T416-V438 WeakPolarHBondContact OG1-CG2 3Å; T416-V438 PolarHBondContact OG1-N 2.94Å; L436-V438 HydrophobicContact CD2-CG2 4.46Å; L436-V438 HydrophobicContact CG-CG2 4.22Å
439	S	92.1	Very high	77.2	Confident	59 Å²	59	81.7 Å²	81.7	41%	0.413	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	149.2	169.5	53.3	0	0	0	0	110.9	V360 T361 E362	V360-S439 PolarHBondContact O-N 3.03Å; V360-S439 PolarHBondContact O-OG 3.46Å; T361-S439 CarbonylContact C-O 3.38Å; T361-S439 WeakPolarHBondContact CA-O 3.39Å; T361-S439 WeakPolarHBondContact CG2-OG 3.41Å; E362-S439 PolarHBondContact N-O 2.82Å
440	A	85.8	Confident	74.8	Confident	58 Å²	58	84.7 Å²	84.7	48%	0.479	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-65.6	146.5	171.2	0	0	0	0	0	109.8	L413 D442	L413-A440 HydrophobicContact CD1-CB 4.38Å; L413-A440 HydrophobicContact CD2-CB 4.4Å; A440-D442 PolarHBondContact O-N 2.82Å
441	A	76.4	Confident	72.1	Confident	62 Å²	62	88.6 Å²	88.6	51%	0.512	51%	0.505	S	S	.	.	P	Polyproline II helix	trans	-69.4	118.7	168.4	0	0	0	0	0	109.1	A443	A441-A443 PolarHBondContact O-N 2.88Å
442	D	66.6	Low	69.7	Low	112 Å²	112	90.5 Å²	90.5	60%	0.599	52%	0.517	S	S	*	.			trans	-66	101.7	-178	-104	-36.7	0	0	0	111.1	A440 S444 V445	A440-D442 PolarHBondContact O-N 2.82Å; D442-S444 PolarHBondContact O-N 2.83Å; D442-V445 PolarHBondContact O-N 3.01Å
443	A	56.8	Low	66.9	Low	112 Å²	112	95 Å²	95	93%	0.926	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	6.4	177.8	0	0	0	0	0	114.1	A441	A441-A443 PolarHBondContact O-N 2.88Å
444	S	53	Low	64.2	Low	96 Å²	96	97.8 Å²	97.8	67%	0.671	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.3	-10.6	179.2	58	0	0	0	0	113.6	D442	D442-S444 PolarHBondContact O-N 2.83Å
445	V	52.7	Low	61.4	Low	76 Å²	76	102.8 Å²	102.8	46%	0.461	59%	0.59	S	S	.	*			trans	-108.1	106.9	177.8	-176.6	0	0	0	0	110.5	D442 Y447	D442-V445 PolarHBondContact O-N 3.01Å; V445-Y447 HydrophobicContact CB-CE2 4.21Å; V445-Y447 HydrophobicContact CG1-CD1 4.37Å; V445-Y447 HydrophobicContact CG1-CD2 4.4Å; V445-Y447 HydrophobicContact CG1-CE1 4.25Å; V445-Y447 HydrophobicContact CG1-CE2 4.28Å; V445-Y447 HydrophobicContact CG1-CG 4.45Å; V445-Y447 WeakPolarHBondContact O-CD2 3.1Å; V445-Y447 PolarHBondContact O-N 2.96Å
446	N	36.8	Very low	58.7	Low	162 Å²	162	108.8 Å²	108.8	87%	0.866	61%	0.614	S	S	*	*			trans	-67.9	94.5	166.3	-102.6	-15.4	0	0	0	109.2	T448	N446-T448 PolarHBondContact O-N 2.9Å
447	Y	51	Low	55.8	Low	181 Å²	181	114.1 Å²	114.1	71%	0.71	65%	0.646	S	S	*	*			trans	-65.6	97	174	-71.4	-81.1	0	0	0	111	V445 Y449	V445-Y447 HydrophobicContact CB-CE2 4.21Å; V445-Y447 HydrophobicContact CG1-CD1 4.37Å; V445-Y447 HydrophobicContact CG1-CD2 4.4Å; V445-Y447 HydrophobicContact CG1-CE1 4.25Å; V445-Y447 HydrophobicContact CG1-CE2 4.28Å; V445-Y447 HydrophobicContact CG1-CG 4.45Å; V445-Y447 WeakPolarHBondContact O-CD2 3.1Å; V445-Y447 PolarHBondContact O-N 2.96Å; Y447-Y449 PolarHBondContact O-N 2.03Å
448	T	42.8	Very low	52.6	Low	107 Å²	107	118.3 Å²	118.3	66%	0.656	67%	0.669	S	S	*	*			trans	-63.7	114.4	158.2	44.1	0	0	0	0	108.1	N446 F450	N446-T448 PolarHBondContact O-N 2.9Å; T448-F450 PolarHBondContact O-N 2.87Å
449	Y	47.5	Very low	49.7	Very low	216 Å²	216	125.3 Å²	125.3	85%	0.847	71%	0.706	S	S	*	*			trans	-70.4	88.6	-177	39.6	-89.5	0	0	0	111	Y447 T451	Y447-Y449 PolarHBondContact O-N 2.03Å; Y449-T451 PolarHBondContact O-N 2.83Å
450	F	43.5	Very low	46.8	Very low	173 Å²	173	126.1 Å²	126.1	76%	0.759	72%	0.723	S	S	*	*			trans	-85.4	94.2	163.4	-75.4	-79.3	0	0	0	109.4	T448 T452	T448-F450 PolarHBondContact O-N 2.87Å; F450-T452 VanDerWaalsContact C-N 3.35Å; F450-T452 PolarHBondContact O-N 2.8Å
451	T	38.8	Very low	44.2	Very low	123 Å²	123	126.9 Å²	126.9	76%	0.755	74%	0.737	S	S	*	*			trans	-67.3	92.4	166.7	37.1	0	0	0	0	109.8	Y449 V453	Y449-T451 PolarHBondContact O-N 2.83Å; T451-V453 VanDerWaalsContact C-N 3.34Å; T451-V453 PolarHBondContact O-N 2.86Å
452	T	46.2	Very low	42	Very low	126 Å²	126	128.5 Å²	128.5	77%	0.773	75%	0.751	S	S	*	*			trans	-68.9	90.9	167.3	49.3	0	0	0	0	109.3	F450 T454	F450-T452 VanDerWaalsContact C-N 3.35Å; F450-T452 PolarHBondContact O-N 2.8Å; T452-T454 PolarHBondContact O-N 3.1Å; T452-T454 VanDerWaalsContact O-N 3.11Å
453	V	38.8	Very low	40.2	Very low	115 Å²	115	131.7 Å²	131.7	70%	0.697	77%	0.768	S	S	*	*			trans	-71.6	101.7	170.6	-177.5	0	0	0	0	108.1	T451 V455	T451-V453 VanDerWaalsContact C-N 3.34Å; T451-V453 PolarHBondContact O-N 2.86Å; V453-V455 HydrophobicContact CG1-CG2 3.87Å; V453-V455 PolarHBondContact O-N 2.94Å
454	T	39.8	Very low	38.8	Very low	128 Å²	128	132.8 Å²	132.8	79%	0.785	76%	0.758	S	S	*	*			trans	-71.2	92.4	167.8	48	0	0	0	0	108.8	T452 E456	T452-T454 PolarHBondContact O-N 3.1Å; T452-T454 VanDerWaalsContact O-N 3.11Å; T454-E456 PolarHBondContact O-N 3.09Å
455	V	39.1	Very low	37.5	Very low	106 Å²	106	139.8 Å²	139.8	64%	0.642	77%	0.771	S	S	*	*			trans	-77.6	110.6	169.1	-174	0	0	0	0	107.9	V453 T457	V453-V455 HydrophobicContact CG1-CG2 3.87Å; V453-V455 PolarHBondContact O-N 2.94Å; V455-T457 VanDerWaalsContact C-N 3.31Å; V455-T457 HydrophobicContact CB-CG2 4.43Å; V455-T457 HydrophobicContact CG1-CG2 3.73Å; V455-T457 PolarHBondContact O-N 2.65Å
456	E	38.3	Very low	36.3	Very low	189 Å²	189	140.2 Å²	140.2	88%	0.883	78%	0.783	S	S	*	*			trans	-72.8	89.7	165.2	-67.3	-174	158.7	0	0	108.5	T454 D458	T454-E456 PolarHBondContact O-N 3.09Å; E456-D458 PolarHBondContact O-N 2.85Å
457	T	35.8	Very low	35.8	Very low	111 Å²	111	141 Å²	141	68%	0.681	78%	0.782	S	S	*	*			trans	-78.1	103.8	171.8	52.4	0	0	0	0	109.4	V455 N459	V455-T457 VanDerWaalsContact C-N 3.31Å; V455-T457 HydrophobicContact CB-CG2 4.43Å; V455-T457 HydrophobicContact CG1-CG2 3.73Å; V455-T457 PolarHBondContact O-N 2.65Å; T457-N459 PolarHBondContact O-N 2.79Å
458	D	29.5	Very low	34.6	Very low	164 Å²	164	139.4 Å²	139.4	88%	0.877	79%	0.79	S	S	*	*			trans	-59	129.2	173.6	-168.5	7.9	0	0	0	110.5	E456 G460	E456-D458 PolarHBondContact O-N 2.85Å; D458-G460 VanDerWaalsContact C-N 3.27Å; D458-G460 PolarHBondContact O-N 3.1Å
459	N	31.7	Very low	33.6	Very low	155 Å²	155	138.9 Å²	138.9	83%	0.829	79%	0.791	S	S	*	*			trans	-92.8	51.6	-157.5	-150.6	8.5	0	0	0	112.5	T457 G461	T457-N459 PolarHBondContact O-N 2.79Å; N459-G461 PolarHBondContact O-N 2.91Å
460	G	32	Very low	32.6	Very low	76 Å²	76	135.5 Å²	135.5	78%	0.784	79%	0.786	S	S	*	*			trans	-79	86.5	175.9	0	0	0	0	0	111.9	D458	D458-G460 VanDerWaalsContact C-N 3.27Å; D458-G460 PolarHBondContact O-N 3.1Å
461	G	31.3	Very low	31.8	Very low	74 Å²	74	134.3 Å²	134.3	76%	0.763	79%	0.787	S	S	*	*			trans	-76.6	136	-170	0	0	0	0	0	116.2	N459	N459-G461 PolarHBondContact O-N 2.91Å
462	A	30.1	Very low	31.2	Very low	97 Å²	97	137.7 Å²	137.7	80%	0.802	80%	0.795	S	S	*	*			trans	-152	107.5	154.7	0	0	0	0	0	109.4
463	N	29.6	Very low	30.3	Very low	178 Å²	178	136 Å²	136	95%	0.952	79%	0.794	S	S	*	*			trans	-83.5	113.6	170.2	-83	-11	0	0	0	109.1
464	D	26.2	Very low	29.7	Very low	136 Å²	136	136.4 Å²	136.4	73%	0.727	80%	0.802	S	S	*	*			trans	-129	104.6	164.2	-174.1	14.7	0	0	0	109.6
465	Y	26.9	Very low	28.9	Very low	242 Å²	242	137.4 Å²	137.4	95%	0.949	80%	0.801	S	S	*	*			trans	-156.3	98.3	162.9	-95.9	-59.9	0	0	0	110.7
466	A	26.1	Very low	28.9	Very low	85 Å²	85	138 Å²	138	70%	0.702	81%	0.806	S	S	*	*			trans	-131.9	151.9	154.2	0	0	0	0	0	107.1
467	Q	26.3	Very low	28.5	Very low	180 Å²	180	135.9 Å²	135.9	84%	0.841	80%	0.8	S	S	*	*			cis	-143.7	157.3	12.7	-53.7	161.5	-62.2	0	0	109.7
468	V	25.8	Very low	29	Very low	147 Å²	147	135.5 Å²	135.5	89%	0.891	80%	0.799	S	S	*	*				-137.8	140.6	129	-176.8	0	0	0	0	107.7
469	S	23.3	Very low	29.1	Very low	96 Å²	96	132.1 Å²	132.1	67%	0.671	79%	0.788	S	S	*	*			trans	-91.7	163.1	-175	52.8	0	0	0	0	114.1
470	I	26.7	Very low	29	Very low	144 Å²	144	131.1 Å²	131.1	74%	0.738	78%	0.783	S	S	*	*				-178.3	128.1	121.5	-93.7	153.3	0	0	0	109.9
471	D	25.8	Very low	28.9	Very low	148 Å²	148	135.1 Å²	135.1	79%	0.791	79%	0.785	S	S	*	*			trans	42	159.4	153.6	-50.3	-24.4	0	0	0	120.8
472	E	25.6	Very low	28.8	Very low	195 Å²	195	139.1 Å²	139.1	91%	0.911	79%	0.789	S	S	*	*			cis	-144.8	-172.3	16.7	-154.1	171.4	-148.1	0	0	111.1
473	A	27.1	Very low	29.7	Very low	91 Å²	91	139 Å²	139	75%	0.752	78%	0.78	S	S	*	*			trans	-114.3	153	-159.5	0	0	0	0	0	117.9
474	S	25.9	Very low	29.5	Very low	123 Å²	123	138.8 Å²	138.8	86%	0.86	77%	0.773	S	S	*	*			trans	-176.6	161	150.3	41.9	0	0	0	0	112.4
475	I	24.5	Very low	29.6	Very low	149 Å²	149	138.9 Å²	138.9	76%	0.764	78%	0.778	S	S	*	*			trans	-144.6	126.7	-167	-57.7	175	0	0	0	114
476	P	37.8	Very low	29.6	Very low	117 Å²	117	133.1 Å²	133.1	76%	0.76	77%	0.768	S	S	*	*			trans	-117.3	165.4	134.7	-7.7	28.7	0	0	0	112.5
477	I	31.6	Very low	30.7	Very low	145 Å²	145	134.2 Å²	134.2	74%	0.744	77%	0.768	S	S	*	*			cis	84	123.4	11	-58	177.1	0	0	0	115.3
478	P	45.5	Very low	31	Very low	103 Å²	103	131.4 Å²	131.4	67%	0.669	76%	0.763	S	S	*	*			cis	-145.6	-164.7	-22.3	40.5	-19.6	0	0	0	115.3
479	S	32.2	Very low	31.2	Very low	94 Å²	94	130.3 Å²	130.3	66%	0.657	76%	0.757	S	S	*	*			trans	76.2	145.9	143.1	-70	0	0	0	0	120.7
480	D	28.4	Very low	31.5	Very low	133 Å²	133	130.2 Å²	130.2	71%	0.711	76%	0.762	S	S	*	*			cis	-164.2	177.6	-11.3	-118	-45.2	0	0	0	113.6
481	L	29.5	Very low	31.6	Very low	160 Å²	160	128.8 Å²	128.8	84%	0.838	77%	0.765	S	S	*	*			trans	110.3	152.4	157.4	-56.3	-177.5	0	0	0	119.7
482	L	30.2	Very low	31.7	Very low	158 Å²	158	126.6 Å²	126.6	83%	0.827	76%	0.761	S	S	*	*			trans	-147.4	-167.6	-150.4	-72.9	171.1	0	0	0	109.8
483	P	47.8	Very low	31.9	Very low	95 Å²	95	125.5 Å²	125.5	62%	0.617	76%	0.761	S	S	*	*				-137.2	-162.1	-64.9	43.5	-27.2	0	0	0	113.7
484	E	27	Very low	32	Very low	173 Å²	173	125.8 Å²	125.8	81%	0.808	76%	0.763	S	S	*	*			trans	72.3	155.9	155	-75	177.8	146	0	0	118
485	V	27.1	Very low	31.9	Very low	138 Å²	138	123 Å²	123	84%	0.836	75%	0.754	S	S	*	*			cis	-129.8	152.2	29.9	174	0	0	0	0	113.8
486	V	26.6	Very low	32	Very low	121 Å²	121	119.4 Å²	119.4	73%	0.733	75%	0.753	S	S	*	*			trans	-144.4	154	-174.5	171.2	0	0	0	0	106.8
487	P	50.9	Low	31.5	Very low	108 Å²	108	126.2 Å²	126.2	70%	0.701	76%	0.764	S	S	*	*			cis	-108.1	-151.5	16.6	17.2	9	0	0	0	112.9
488	T	31	Very low	31.1	Very low	121 Å²	121	124.8 Å²	124.8	74%	0.742	77%	0.767	S	S	*	*			cis	-160.2	172.3	31.1	53	0	0	0	0	111.8
489	T	31	Very low	30.2	Very low	125 Å²	125	125.8 Å²	125.8	77%	0.767	78%	0.777	S	S	*	*			cis	-169	160.9	-36	37.2	0	0	0	0	107.7
490	A	29.4	Very low	30	Very low	93 Å²	93	127.2 Å²	127.2	77%	0.769	79%	0.787	S	S	*	*			cis	178.1	128.8	-31.9	0	0	0	0	0	108.9
491	S	28.8	Very low	29.9	Very low	114 Å²	114	126 Å²	126	80%	0.797	79%	0.788	S	S	*	*			trans	-155.6	139.5	167.5	50.2	0	0	0	0	113
492	S	27.4	Very low	30.1	Very low	102 Å²	102	124.4 Å²	124.4	71%	0.713	79%	0.787	S	S	*	*			trans	41.5	109.2	166.6	48.5	0	0	0	0	118.7
493	L	29.9	Very low	29.9	Very low	173 Å²	173	128.1 Å²	128.1	91%	0.906	79%	0.79	S	S	*	*				56.8	132.3	61.9	-55.8	171.3	0	0	0	113.5
494	A	28.6	Very low	28.8	Very low	96 Å²	96	129.5 Å²	129.5	79%	0.793	80%	0.798	S	S	*	*			cis	-164.8	171.2	-9.4	0	0	0	0	0	107.9
495	G	25.4	Very low	28.7	Very low	65 Å²	65	127.7 Å²	127.7	67%	0.67	80%	0.798	S	S	*	*			cis	130.3	103.3	-3.7	0	0	0	0	0	113.2
496	G	26	Very low	28.7	Very low	74 Å²	74	129.6 Å²	129.6	76%	0.763	80%	0.798	S	S	*	*			trans	93.6	170.4	170.8	0	0	0	0	0	116.5
497	W	26.6	Very low	29.6	Very low	259 Å²	259	129 Å²	129	98%	0.981	80%	0.796	S	S	*	*			cis	-139.9	160.8	5.3	-66.6	-52.9	0	0	0	113.3
498	S	24.6	Very low	28.1	Very low	116 Å²	116	130 Å²	130	81%	0.811	80%	0.801	S	S	*	*			trans	-141	106.7	168.4	48.8	0	0	0	0	111.6
499	S	26.4	Very low	27.9	Very low	124 Å²	124	132.6 Å²	132.6	87%	0.867	80%	0.802	S	S	*	*			trans	171.4	124.5	146.8	55.7	0	0	0	0	112.1
500	S	27.6	Very low	27.5	Very low	124 Å²	124	132 Å²	132	87%	0.867	80%	0.799	S	S	*	*			trans	-158.6	143	145.3	54.5	0	0	0	0	110.5
501	S	25.4	Very low	27.6	Very low	107 Å²	107	133.2 Å²	133.2	75%	0.748	80%	0.796	S	S	*	*			trans	-102.9	159.6	163.4	-148.8	0	0	0	0	107.1
502	P	34.1	Very low	28	Very low	126 Å²	126	132.6 Å²	132.6	82%	0.818	79%	0.789	S	S	*	*				-146.5	-177.4	75.5	37.8	-18	0	0	0	116
503	R	26.7	Very low	27.9	Very low	236 Å²	236	136.8 Å²	136.8	89%	0.891	80%	0.795	S	S	*	*			trans	-103.3	122.7	-171.5	163.8	-150.2	-168.4	-169.4	7.7	112.2
504	T	24.1	Very low	27.6	Very low	125 Å²	125	134.7 Å²	134.7	77%	0.767	79%	0.79	S	S	*	*			trans	-163.9	130.1	157.7	9.5	0	0	0	0	115.5
505	T	25.8	Very low	28	Very low	134 Å²	134	138.1 Å²	138.1	82%	0.822	79%	0.789	S	S	*	*			trans	41.8	139.3	142.5	53	0	0	0	0	124.5
506	Q	27.1	Very low	28.8	Very low	179 Å²	179	140.9 Å²	140.9	84%	0.836	80%	0.796	S	S	*	*			trans	-74.2	-173.5	161.8	-44.8	-177.3	-13.6	0	0	112.4
507	P	43.9	Very low	29	Very low	107 Å²	107	140.4 Å²	140.4	70%	0.695	79%	0.79	S	S	*	*			cis	-131.3	-176.3	-13.5	33.8	-13.8	0	0	0	114.4
508	T	21.4	Very low	29.6	Very low	130 Å²	130	138.8 Å²	138.8	80%	0.798	79%	0.791	S	S	*	*			trans	147.4	147.7	132.9	-58.6	0	0	0	0	115.1
509	F	26	Very low	30.4	Very low	175 Å²	175	138.9 Å²	138.9	77%	0.768	79%	0.791	S	S	*	*			trans	-42.1	157.4	164.4	-121.7	-130.9	0	0	0	114.1
510	T	23	Very low	31.4	Very low	113 Å²	113	135.6 Å²	135.6	69%	0.693	78%	0.777	S	S	*	*			cis	-161.3	149.2	37.3	-43.7	0	0	0	0	113.7
511	V	29.9	Very low	32.7	Very low	119 Å²	119	137.1 Å²	137.1	72%	0.721	78%	0.775	S	S	*	*			trans	-20.1	151.7	154.1	172.1	0	0	0	0	117.2
512	P	37.8	Very low	34.1	Very low	100 Å²	100	137 Å²	137	65%	0.649	77%	0.766	S	S	*	*			cis	-121.1	-162.4	10.5	33.3	-12	0	0	0	113
513	F	25.1	Very low	35.2	Very low	190 Å²	190	135.6 Å²	135.6	83%	0.833	75%	0.751	S	S	*	*			cis	-146.3	-173.5	1.8	-111.7	-42.5	0	0	0	106.8
514	T	25.3	Very low	36.5	Very low	129 Å²	129	128.8 Å²	128.8	79%	0.791	74%	0.736	S	S	*	*			cis	-143.9	-143.9	11.3	-26.6	0	0	0	0	110.4
515	E	36.6	Very low	38	Very low	168 Å²	168	127.7 Å²	127.7	79%	0.785	72%	0.723	S	S	*	*			trans	-140.6	174.8	176.7	-104.8	-161.1	-125.4	0	0	110.6
516	P	40.9	Very low	39.8	Very low	124 Å²	124	126.9 Å²	126.9	81%	0.805	71%	0.708	S	S	*	*			cis	-120	-174.7	9.4	42	-28	0	0	0	113.2
517	G	31.6	Very low	41.6	Very low	63 Å²	63	122 Å²	122	65%	0.649	69%	0.691	S	S	*	*			cis	141.5	117.4	-3	0	0	0	0	0	111.1
518	F	38.1	Very low	42.6	Very low	226 Å²	226	120.5 Å²	120.5	99%	0.991	68%	0.68	S	S	*	*			trans	-93.6	137.1	-171.5	-94.6	-99.9	0	0	0	113.8
519	S	41.4	Very low	45	Very low	118 Å²	118	121 Å²	121	83%	0.825	67%	0.671	S	S	*	*			trans	-138.6	98.9	174.6	62.2	0	0	0	0	111.7
520	G	48.1	Very low	47.4	Very low	55 Å²	55	117.9 Å²	117.9	57%	0.567	66%	0.661	S	S	*	*			trans	-156.7	-24	-178.9	0	0	0	0	0	117.9
521	L	53.9	Low	50	Low	156 Å²	156	118.1 Å²	118.1	82%	0.817	66%	0.657	S	S	*	*	H	α-helix	trans	-80.2	-36	-176.7	-117.9	74	0	0	0	113.9	D523 V524 M525	L521-D523 PolarHBondContact O-N 3.4Å; L521-V524 PolarHBondContact O-N 2.72Å; L521-M525 PolarHBondContact O-N 2.88Å
522	D	54.6	Low	52.5	Low	104 Å²	104	117.3 Å²	117.3	56%	0.556	65%	0.647	S	S	*	*	H	α-helix	trans	-66.4	-35	-171.4	-87.3	-40.7	0	0	0	113.9	M525 K526	D522-M525 CarbonylContact O-C 3.54Å; D522-M525 PolarHBondContact O-N 2.92Å; D522-K526 WeakPolarHBondContact O-CG 3.38Å; D522-K526 PolarHBondContact O-N 2.74Å
523	D	57.7	Low	54.7	Low	97 Å²	97	114.4 Å²	114.4	52%	0.519	64%	0.636	S	S	.	*	H	α-helix	trans	-76.3	-28.7	-176.1	-68.1	-34.7	0	0	0	112.9	L521 K526 T527	L521-D523 PolarHBondContact O-N 3.4Å; D523-K526 PolarHBondContact O-N 3.47Å; D523-K526 WeakPolarHBondContact OD1-CD 3.37Å; D523-K526 WeakPolarHBondContact OD1-CE 3.43Å; D523-K526 IonicContact OD1-NZ 2.8Å; D523-K526 PolarHBondContact OD1-NZ 2.03Å; D523-T527 PolarHBondContact O-N 2.94Å; D523-T527 PolarHBondContact O-OG1 3.45Å
524	V	55.5	Low	57.5	Low	92 Å²	92	108.7 Å²	108.7	56%	0.558	62%	0.619	S	S	*	*	H	α-helix	trans	-62.6	-46.8	165.5	-175.7	0	0	0	0	109.4	L521 K526 T527 T528	L521-V524 PolarHBondContact O-N 2.72Å; V524-K526 VanDerWaalsContact C-N 3.31Å; V524-K526 PolarHBondContact O-N 2.58Å; V524-T527 WeakPolarHBondContact CA-OG1 3.35Å; V524-T527 PolarHBondContact O-N 3.49Å; V524-T527 PolarHBondContact O-OG1 2.83Å; V524-T528 PolarHBondContact O-N 3.05Å; V524-T528 VanDerWaalsContact O-N 3.11Å; V524-T528 PolarHBondContact O-OG1 3.4Å; V524-T528 VanDerWaalsContact O-OG1 3.08Å
525	M	55.4	Low	60.4	Low	103 Å²	103	109.8 Å²	109.8	51%	0.507	61%	0.613	S	S	.	*	H	α-helix	trans	-70.3	-23.9	-178.9	-157.1	169.9	56.3	0	0	113.6	L521 D522 K529	L521-M525 PolarHBondContact O-N 2.88Å; D522-M525 CarbonylContact O-C 3.54Å; D522-M525 PolarHBondContact O-N 2.92Å; M525-K529 WeakPolarHBondContact O-CD 3.42Å; M525-K529 WeakPolarHBondContact O-CG 3.48Å
526	K	62.1	Low	63.1	Low	116 Å²	116	106 Å²	106	50%	0.504	60%	0.601	S	S	.	*	H	α-helix	trans	-73.5	-48.4	168.7	-72	169.9	-156.1	157.8	0	111.9	D522 D523 V524 T528 K529 I530	D522-K526 WeakPolarHBondContact O-CG 3.38Å; D522-K526 PolarHBondContact O-N 2.74Å; D523-K526 PolarHBondContact O-N 3.47Å; D523-K526 WeakPolarHBondContact OD1-CD 3.37Å; D523-K526 WeakPolarHBondContact OD1-CE 3.43Å; D523-K526 IonicContact OD1-NZ 2.8Å; D523-K526 PolarHBondContact OD1-NZ 2.03Å; V524-K526 VanDerWaalsContact C-N 3.31Å; V524-K526 PolarHBondContact O-N 2.58Å; K526-T528 PolarHBondContact O-N 2.8Å; K526-K529 PolarHBondContact O-N 3.12Å; K526-K529 VanDerWaalsContact O-N 3.16Å; K526-I530 WeakPolarHBondContact O-CG1 3.29Å; K526-I530 PolarHBondContact O-N 3.23Å; K526-I530 VanDerWaalsContact O-N 3.12Å
527	T	64.9	Low	65.2	Low	78 Å²	78	102.7 Å²	102.7	48%	0.479	58%	0.584	S	S	.	*	H	α-helix	trans	-63	-40.7	-177.2	40.4	0	0	0	0	112.2	D523 V524 K529 I530 I531	D523-T527 PolarHBondContact O-N 2.94Å; D523-T527 PolarHBondContact O-OG1 3.45Å; V524-T527 WeakPolarHBondContact CA-OG1 3.35Å; V524-T527 PolarHBondContact O-N 3.49Å; V524-T527 PolarHBondContact O-OG1 2.83Å; T527-K529 VanDerWaalsContact C-N 3.33Å; T527-K529 PolarHBondContact O-N 2.79Å; T527-I530 PolarHBondContact O-N 3.02Å; T527-I531 WeakPolarHBondContact O-CG1 3.44Å; T527-I531 PolarHBondContact O-N 3.46Å; T527-I531 VanDerWaalsContact O-N 3.13Å
528	T	65.1	Low	68	Low	74 Å²	74	105.3 Å²	105.3	45%	0.454	58%	0.581	S	S	.	*	H	α-helix	trans	-59.9	-40.6	173.7	-48	0	0	0	0	112.5	V524 K526 I530 I531 I532	V524-T528 PolarHBondContact O-N 3.05Å; V524-T528 VanDerWaalsContact O-N 3.11Å; V524-T528 PolarHBondContact O-OG1 3.4Å; V524-T528 VanDerWaalsContact O-OG1 3.08Å; K526-T528 PolarHBondContact O-N 2.8Å; T528-I530 PolarHBondContact O-N 3.09Å; T528-I531 PolarHBondContact O-N 3.34Å; T528-I532 HydrophobicContact CG2-CD1 4.01Å; T528-I532 WeakPolarHBondContact O-CG1 3.48Å; T528-I532 PolarHBondContact O-N 3.29Å; T528-I532 VanDerWaalsContact O-N 3.11Å
529	K	73.3	Confident	70.4	Confident	142 Å²	142	98 Å²	98	62%	0.617	56%	0.556	S	S	*	*	H	α-helix	trans	-65	-37.2	177.7	-74.1	173.3	-177.4	174.2	0	112.6	M525 K526 T527 G533	M525-K529 WeakPolarHBondContact O-CD 3.42Å; M525-K529 WeakPolarHBondContact O-CG 3.48Å; K526-K529 PolarHBondContact O-N 3.12Å; K526-K529 VanDerWaalsContact O-N 3.16Å; T527-K529 VanDerWaalsContact C-N 3.33Å; T527-K529 PolarHBondContact O-N 2.79Å; K529-G533 PolarHBondContact O-N 2.97Å
530	I	76.4	Confident	72.8	Confident	108 Å²	108	99.2 Å²	99.2	55%	0.554	55%	0.546	S	S	*	.	H	α-helix	trans	-64.9	-45.3	176.3	-66.2	166	0	0	0	110.7	K526 T527 T528 G533 C534	K526-I530 WeakPolarHBondContact O-CG1 3.29Å; K526-I530 PolarHBondContact O-N 3.23Å; K526-I530 VanDerWaalsContact O-N 3.12Å; T527-I530 PolarHBondContact O-N 3.02Å; T528-I530 PolarHBondContact O-N 3.09Å; I530-G533 PolarHBondContact O-N 3.3Å; I530-C534 PolarHBondContact O-N 3.4Å
531	I	77.6	Confident	74.8	Confident	119 Å²	119	102.7 Å²	102.7	61%	0.61	55%	0.549	S	S	*	.	H	α-helix	trans	-61.9	-46.6	179.9	-65.9	165	0	0	0	111	T527 T528 G533 C534 F535	T527-I531 WeakPolarHBondContact O-CG1 3.44Å; T527-I531 PolarHBondContact O-N 3.46Å; T527-I531 VanDerWaalsContact O-N 3.13Å; T528-I531 PolarHBondContact O-N 3.34Å; I531-G533 VanDerWaalsContact C-N 3.35Å; I531-G533 PolarHBondContact O-N 3.31Å; I531-C534 PolarHBondContact O-N 2.92Å; I531-F535 PolarHBondContact O-N 2.85Å; I531-F535 VanDerWaalsContact O-N 3.08Å
532	I	81.8	Confident	76.5	Confident	101 Å²	101	97.7 Å²	97.7	52%	0.518	53%	0.531	S	S	.	.	H	α-helix	trans	-61.8	-43.5	176.2	-65.5	167.8	0	0	0	110.7	T528 C534 F535 V536	T528-I532 HydrophobicContact CG2-CD1 4.01Å; T528-I532 WeakPolarHBondContact O-CG1 3.48Å; T528-I532 PolarHBondContact O-N 3.29Å; T528-I532 VanDerWaalsContact O-N 3.11Å; I532-C534 PolarHBondContact O-N 2.92Å; I532-F535 PolarHBondContact O-N 3.28Å; I532-V536 HydrophobicContact CG2-CG2 4.5Å; I532-V536 WeakPolarHBondContact O-CG2 3.37Å; I532-V536 PolarHBondContact O-N 3.02Å
533	G	83.5	Confident	78.3	Confident	40 Å²	40	95.3 Å²	95.3	41%	0.412	53%	0.525	S	S	.	.	H	α-helix	trans	-58.2	-45.2	176.6	0	0	0	0	0	113.2	K529 I530 I531 F535 V536 A537	K529-G533 PolarHBondContact O-N 2.97Å; I530-G533 PolarHBondContact O-N 3.3Å; I531-G533 VanDerWaalsContact C-N 3.35Å; I531-G533 PolarHBondContact O-N 3.31Å; G533-F535 PolarHBondContact O-N 3.21Å; G533-V536 PolarHBondContact O-N 3.43Å; G533-A537 WeakPolarHBondContact O-CB 3.38Å; G533-A537 PolarHBondContact O-N 3.2Å
534	C	85	Confident	79.9	Confident	70 Å²	70	93.6 Å²	93.6	47%	0.473	52%	0.518	S	S	.	.	H	α-helix	trans	-62.5	-41	174.9	-73.5	0	0	0	0	112.4	I530 I531 I532 A537 I538	I530-C534 PolarHBondContact O-N 3.4Å; I531-C534 PolarHBondContact O-N 2.92Å; I532-C534 PolarHBondContact O-N 2.92Å; C534-A537 PolarHBondContact O-N 3.08Å; C534-I538 WeakPolarHBondContact O-CB 3.19Å; C534-I538 VanDerWaalsContact O-CG1 3.27Å; C534-I538 WeakPolarHBondContact O-CG1 3.39Å; C534-I538 PolarHBondContact O-N 3.49Å
535	F	85.9	Confident	81.5	Confident	152 Å²	152	94.8 Å²	94.8	67%	0.667	52%	0.519	S	S	*	.	H	α-helix	trans	-65.9	-39.7	179.8	-153	-89.6	0	0	0	112.2	I531 I532 G533 T539	I531-F535 PolarHBondContact O-N 2.85Å; I531-F535 VanDerWaalsContact O-N 3.08Å; I532-F535 PolarHBondContact O-N 3.28Å; G533-F535 PolarHBondContact O-N 3.21Å; F535-T539 HydrophobicContact CD1-CG2 4.2Å; F535-T539 HydrophobicContact CE1-CG2 4.1Å; F535-T539 WeakPolarHBondContact O-CG2 3.25Å; F535-T539 PolarHBondContact O-N 2.95Å; F535-T539 VanDerWaalsContact O-N 3.08Å; F535-T539 PolarHBondContact O-OG1 2.88Å
536	V	91.9	Very high	83.3	Confident	89 Å²	89	95.8 Å²	95.8	54%	0.539	53%	0.526	S	S	.	.	H	α-helix	trans	-66.3	-41	173.4	174.5	0	0	0	0	111.3	I532 G533 T539 F540	I532-V536 HydrophobicContact CG2-CG2 4.5Å; I532-V536 WeakPolarHBondContact O-CG2 3.37Å; I532-V536 PolarHBondContact O-N 3.02Å; G533-V536 PolarHBondContact O-N 3.43Å; V536-T539 WeakPolarHBondContact CA-OG1 3.2Å; V536-T539 PolarHBondContact O-OG1 2.96Å; V536-T539 VanDerWaalsContact O-OG1 3.1Å; V536-F540 VanDerWaalsContact O-CB 3.29Å; V536-F540 WeakPolarHBondContact O-CB 3.15Å; V536-F540 PolarHBondContact O-N 2.95Å
537	A	85.7	Confident	84.5	Confident	53 Å²	53	94.3 Å²	94.3	44%	0.438	53%	0.526	S	S	.	.	H	α-helix	trans	-64.5	-43.1	177.8	0	0	0	0	0	112.7	G533 C534 M541	G533-A537 WeakPolarHBondContact O-CB 3.38Å; G533-A537 PolarHBondContact O-N 3.2Å; C534-A537 PolarHBondContact O-N 3.08Å; A537-M541 WeakPolarHBondContact O-CB 3.33Å; A537-M541 WeakPolarHBondContact O-CG 3.38Å; A537-M541 PolarHBondContact O-N 3Å
538	I	90.5	Very high	85.7	Confident	118 Å²	118	93.8 Å²	93.8	61%	0.605	52%	0.523	S	S	*	.	H	α-helix	trans	-65.2	-46.4	178.3	-69.3	164.7	0	0	0	110.9	C534 M541 A542	C534-I538 WeakPolarHBondContact O-CB 3.19Å; C534-I538 VanDerWaalsContact O-CG1 3.27Å; C534-I538 WeakPolarHBondContact O-CG1 3.39Å; C534-I538 PolarHBondContact O-N 3.49Å; I538-M541 PolarHBondContact O-N 2.63Å; I538-A542 WeakPolarHBondContact O-CB 3.42Å; I538-A542 PolarHBondContact O-N 3.06Å
539	T	88.3	Confident	86.8	Confident	74 Å²	74	97 Å²	97	45%	0.454	53%	0.531	S	S	.	.	H	α-helix	trans	-66.4	-37.8	179.3	49.1	0	0	0	0	112.3	F535 V536 A542 A543	F535-T539 HydrophobicContact CD1-CG2 4.2Å; F535-T539 HydrophobicContact CE1-CG2 4.1Å; F535-T539 WeakPolarHBondContact O-CG2 3.25Å; F535-T539 PolarHBondContact O-N 2.95Å; F535-T539 VanDerWaalsContact O-N 3.08Å; F535-T539 PolarHBondContact O-OG1 2.88Å; V536-T539 WeakPolarHBondContact CA-OG1 3.2Å; V536-T539 PolarHBondContact O-OG1 2.96Å; V536-T539 VanDerWaalsContact O-OG1 3.1Å; T539-A542 PolarHBondContact O-N 3.29Å; T539-A543 PolarHBondContact O-N 2.74Å
540	F	92.4	Very high	87.6	Confident	142 Å²	142	97.8 Å²	97.8	62%	0.623	53%	0.531	S	S	*	.	H	α-helix	trans	-63.9	-46.3	173	-172.6	-97.3	0	0	0	112.3	V536 A542 A543 V544	V536-F540 VanDerWaalsContact O-CB 3.29Å; V536-F540 WeakPolarHBondContact O-CB 3.15Å; V536-F540 PolarHBondContact O-N 2.95Å; F540-A542 VanDerWaalsContact C-N 3.34Å; F540-A542 PolarHBondContact O-N 3.36Å; F540-A543 PolarHBondContact O-N 2.76Å; F540-V544 HydrophobicContact CD1-CG2 4.13Å; F540-V544 HydrophobicContact CE1-CG2 3.81Å; F540-V544 HydrophobicContact CZ-CG2 4.18Å; F540-V544 WeakPolarHBondContact O-CG2 3.27Å; F540-V544 PolarHBondContact O-N 3.03Å
541	M	89.5	Confident	87.8	Confident	128 Å²	128	99.3 Å²	99.3	63%	0.631	53%	0.534	S	S	*	.	H	α-helix	trans	-61.3	-39.8	176.1	-78.3	-66.3	-141.5	0	0	112.6	A537 I538 V544 M545	A537-M541 WeakPolarHBondContact O-CB 3.33Å; A537-M541 WeakPolarHBondContact O-CG 3.38Å; A537-M541 PolarHBondContact O-N 3Å; I538-M541 PolarHBondContact O-N 2.63Å; M541-V544 PolarHBondContact O-N 2.78Å; M541-M545 WeakPolarHBondContact O-CG 3.16Å; M541-M545 PolarHBondContact O-N 3.33Å
542	A	89.2	Confident	87.9	Confident	52 Å²	52	98.2 Å²	98.2	43%	0.43	53%	0.529	S	S	.	.	H	α-helix	trans	-62.4	-42.1	174.6	0	0	0	0	0	112.1	I538 T539 F540 M545 L546	I538-A542 WeakPolarHBondContact O-CB 3.42Å; I538-A542 PolarHBondContact O-N 3.06Å; T539-A542 PolarHBondContact O-N 3.29Å; F540-A542 VanDerWaalsContact C-N 3.34Å; F540-A542 PolarHBondContact O-N 3.36Å; A542-M545 PolarHBondContact O-N 3.04Å; A542-L546 WeakPolarHBondContact O-CG 3.37Å; A542-L546 PolarHBondContact O-N 3.27Å
543	A	91.9	Very high	88	Confident	53 Å²	53	102.5 Å²	102.5	44%	0.438	54%	0.538	S	S	.	.	H	α-helix	trans	-64	-43.2	175.8	0	0	0	0	0	112.3	T539 F540 L546 V547	T539-A543 PolarHBondContact O-N 2.74Å; F540-A543 PolarHBondContact O-N 2.76Å; A543-L546 PolarHBondContact O-N 2.97Å; A543-V547 WeakPolarHBondContact O-CG2 3.44Å; A543-V547 PolarHBondContact O-N 3.46Å
544	V	92	Very high	87.8	Confident	62 Å²	62	106.4 Å²	106.4	38%	0.376	54%	0.544	S	S	.	.	H	α-helix	trans	-60.5	-45.4	174.8	172.2	0	0	0	0	111	F540 M541 L546 V547 V548	F540-V544 HydrophobicContact CD1-CG2 4.13Å; F540-V544 HydrophobicContact CE1-CG2 3.81Å; F540-V544 HydrophobicContact CZ-CG2 4.18Å; F540-V544 WeakPolarHBondContact O-CG2 3.27Å; F540-V544 PolarHBondContact O-N 3.03Å; M541-V544 PolarHBondContact O-N 2.78Å; V544-L546 PolarHBondContact O-N 3.22Å; V544-V547 PolarHBondContact O-N 2.98Å; V544-V548 WeakPolarHBondContact O-CG2 3.34Å; V544-V548 PolarHBondContact O-N 3.48Å
545	M	90.2	Very high	87.2	Confident	116 Å²	116	108.8 Å²	108.8	57%	0.571	55%	0.548	S	S	*	.	H	α-helix	trans	-59.5	-43.5	176.1	-76.6	-67.7	-169.9	0	0	112.3	M541 A542 V547 V548 F549	M541-M545 WeakPolarHBondContact O-CG 3.16Å; M541-M545 PolarHBondContact O-N 3.33Å; A542-M545 PolarHBondContact O-N 3.04Å; M545-V547 VanDerWaalsContact C-N 3.34Å; M545-V547 PolarHBondContact O-N 3.25Å; M545-V548 PolarHBondContact O-N 3.11Å; M545-F549 WeakPolarHBondContact O-CD2 3.48Å; M545-F549 PolarHBondContact O-N 3.13Å
546	L	92	Very high	86.2	Confident	125 Å²	125	108 Å²	108	65%	0.654	55%	0.547	S	S	*	.	H	α-helix	trans	-62	-39.4	176.3	-73.6	169.9	0	0	0	112.4	A542 A543 V544 F549 Y550	A542-L546 WeakPolarHBondContact O-CG 3.37Å; A542-L546 PolarHBondContact O-N 3.27Å; A543-L546 PolarHBondContact O-N 2.97Å; V544-L546 PolarHBondContact O-N 3.22Å; L546-F549 PolarHBondContact O-N 3.37Å; L546-Y550 WeakPolarHBondContact O-CB 3.49Å; L546-Y550 PolarHBondContact O-N 3.24Å
547	V	88.6	Confident	84.9	Confident	84 Å²	84	110.2 Å²	110.2	51%	0.509	55%	0.551	S	S	.	*	H	α-helix	trans	-66.5	-37.6	174.8	173.2	0	0	0	0	111.8	A543 V544 M545 Y550 K551	A543-V547 WeakPolarHBondContact O-CG2 3.44Å; A543-V547 PolarHBondContact O-N 3.46Å; V544-V547 PolarHBondContact O-N 2.98Å; M545-V547 VanDerWaalsContact C-N 3.34Å; M545-V547 PolarHBondContact O-N 3.25Å; V547-Y550 PolarHBondContact O-N 3.12Å; V547-K551 PolarHBondContact O-N 2.89Å
548	V	89.2	Confident	83.6	Confident	68 Å²	68	113.9 Å²	113.9	41%	0.412	56%	0.562	S	S	.	*	H	α-helix	trans	-64.9	-48.4	174	170.7	0	0	0	0	110.9	V544 M545 Y550 K551 L552	V544-V548 WeakPolarHBondContact O-CG2 3.34Å; V544-V548 PolarHBondContact O-N 3.48Å; M545-V548 PolarHBondContact O-N 3.11Å; V548-Y550 VanDerWaalsContact C-N 3.31Å; V548-Y550 PolarHBondContact O-N 3.48Å; V548-K551 PolarHBondContact O-N 3.36Å; V548-L552 HydrophobicContact CG1-CD1 3.88Å; V548-L552 HydrophobicContact CG1-CG 4.41Å; V548-L552 WeakPolarHBondContact O-CG 3.44Å; V548-L552 PolarHBondContact O-N 3.39Å
549	F	87.2	Confident	82	Confident	142 Å²	142	116.1 Å²	116.1	62%	0.623	57%	0.57	S	S	*	*	H	α-helix	trans	-59.6	-39.9	175	-88.1	-70.7	0	0	0	112.5	M545 L546 L552 R553	M545-F549 WeakPolarHBondContact O-CD2 3.48Å; M545-F549 PolarHBondContact O-N 3.13Å; L546-F549 PolarHBondContact O-N 3.37Å; F549-L552 PolarHBondContact O-N 3.16Å; F549-R553 VanDerWaalsContact O-CB 3.28Å; F549-R553 WeakPolarHBondContact O-CB 3.39Å; F549-R553 PolarHBondContact O-N 3.44Å
550	Y	91.3	Very high	80.1	Confident	157 Å²	157	120.7 Å²	120.7	62%	0.616	58%	0.583	S	S	*	*	H	α-helix	trans	-63.2	-44.5	175.1	-179.3	-100.8	0	0	0	112.2	L546 V547 V548 R553 K554	L546-Y550 WeakPolarHBondContact O-CB 3.49Å; L546-Y550 PolarHBondContact O-N 3.24Å; V547-Y550 PolarHBondContact O-N 3.12Å; V548-Y550 VanDerWaalsContact C-N 3.31Å; V548-Y550 PolarHBondContact O-N 3.48Å; Y550-R553 PolarHBondContact O-N 2.94Å; Y550-K554 WeakPolarHBondContact O-CB 3.33Å; Y550-K554 PolarHBondContact O-N 3.11Å
551	K	79.8	Confident	78.1	Confident	141 Å²	141	121.7 Å²	121.7	61%	0.613	59%	0.59	S	S	*	*	H	α-helix	trans	-63.3	-45.6	175.4	-80.6	-171.8	174.8	-177.8	0	112.5	V547 V548 R553 K554 Q555	V547-K551 PolarHBondContact O-N 2.89Å; V548-K551 PolarHBondContact O-N 3.36Å; K551-R553 PolarHBondContact O-N 2.95Å; K551-K554 PolarHBondContact O-N 3.29Å; K551-Q555 PolarHBondContact O-N 2.83Å
552	L	80.8	Confident	76.2	Confident	96 Å²	96	124.7 Å²	124.7	50%	0.503	60%	0.602	S	S	.	*	H	α-helix	trans	-60.3	-45.1	176.7	-72.6	169.4	0	0	0	111.6	V548 F549 K554 Q555 H556	V548-L552 HydrophobicContact CG1-CD1 3.88Å; V548-L552 HydrophobicContact CG1-CG 4.41Å; V548-L552 WeakPolarHBondContact O-CG 3.44Å; V548-L552 PolarHBondContact O-N 3.39Å; F549-L552 PolarHBondContact O-N 3.16Å; L552-K554 VanDerWaalsContact C-N 3.33Å; L552-K554 PolarHBondContact O-N 3Å; L552-Q555 PolarHBondContact O-N 2.98Å; L552-H556 PolarHBondContact O-N 3.11Å
553	R	82.8	Confident	73.7	Confident	191 Å²	191	125.4 Å²	125.4	72%	0.721	61%	0.614	S	S	*	*	H	α-helix	trans	-62.6	-38	176.5	-170.3	171.6	-177.9	160.4	-0.2	112.1	F549 Y550 K551 H556 Q557	F549-R553 VanDerWaalsContact O-CB 3.28Å; F549-R553 WeakPolarHBondContact O-CB 3.39Å; F549-R553 PolarHBondContact O-N 3.44Å; Y550-R553 PolarHBondContact O-N 2.94Å; K551-R553 PolarHBondContact O-N 2.95Å; R553-H556 PolarHBondContact O-N 3.02Å; R553-Q557 PolarHBondContact O-N 3.08Å
554	K	79.4	Confident	71.3	Confident	121 Å²	121	129 Å²	129	53%	0.526	63%	0.633	S	S	.	*	H	α-helix	trans	-69	-39.7	175.7	-170.5	168.8	-178.1	172.9	0	112.6	Y550 K551 L552 Q557 L558	Y550-K554 WeakPolarHBondContact O-CB 3.33Å; Y550-K554 PolarHBondContact O-N 3.11Å; K551-K554 PolarHBondContact O-N 3.29Å; L552-K554 VanDerWaalsContact C-N 3.33Å; L552-K554 PolarHBondContact O-N 3Å; K554-Q557 PolarHBondContact O-N 3.35Å; K554-L558 PolarHBondContact O-N 3.25Å
555	Q	72.2	Confident	68.6	Low	120 Å²	120	131 Å²	131	56%	0.561	66%	0.655	S	S	*	*	H	α-helix	trans	-63.1	-41.7	172.5	-76.2	-179.5	-44.8	0	0	112	K551 L552 Q557 L558 H559	K551-Q555 PolarHBondContact O-N 2.83Å; L552-Q555 PolarHBondContact O-N 2.98Å; Q555-Q557 VanDerWaalsContact C-N 3.28Å; Q555-Q557 PolarHBondContact O-N 3.48Å; Q555-L558 PolarHBondContact O-N 3.2Å; Q555-H559 PolarHBondContact O-N 3Å; Q555-H559 VanDerWaalsContact O-N 3.08Å
556	H	65.8	Low	66.1	Low	137 Å²	137	137 Å²	137	63%	0.634	67%	0.672	S	S	*	*	H	α-helix	trans	-64.4	-30.2	177.4	-163.1	-29.1	0	0	0	112.8	L552 R553	L552-H556 PolarHBondContact O-N 3.11Å; R553-H556 PolarHBondContact O-N 3.02Å
557	Q	63.4	Low	63.4	Low	135 Å²	135	135.3 Å²	135.3	63%	0.631	68%	0.676	S	S	*	*	H	α-helix	trans	-76.9	-38.2	172.7	-74.4	-169.5	-32.3	0	0	113	R553 K554 Q555 H559 K560	R553-Q557 PolarHBondContact O-N 3.08Å; K554-Q557 PolarHBondContact O-N 3.35Å; Q555-Q557 VanDerWaalsContact C-N 3.28Å; Q555-Q557 PolarHBondContact O-N 3.48Å; Q557-H559 VanDerWaalsContact C-N 3.28Å; Q557-H559 PolarHBondContact O-N 2.84Å; Q557-K560 PolarHBondContact O-N 3.4Å; Q557-K560 VanDerWaalsContact O-N 3.16Å
558	L	58.3	Low	60.9	Low	129 Å²	129	138.8 Å²	138.8	68%	0.675	69%	0.69	S	S	*	*	H	α-helix	trans	-61	-35.9	174.3	-86.5	159.3	0	0	0	112.6	K554 Q555 K560	K554-L558 PolarHBondContact O-N 3.25Å; Q555-L558 PolarHBondContact O-N 3.2Å; L558-K560 PolarHBondContact O-N 2.67Å; L558-K560 VanDerWaalsContact O-N 3.17Å
559	H	57	Low	58.1	Low	166 Å²	166	143.8 Å²	143.8	77%	0.769	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.3	-4.8	176.7	-99.7	-75.4	0	0	0	115.5	Q555 Q557	Q555-H559 PolarHBondContact O-N 3Å; Q555-H559 VanDerWaalsContact O-N 3.08Å; Q557-H559 VanDerWaalsContact C-N 3.28Å; Q557-H559 PolarHBondContact O-N 2.84Å
560	K	48.5	Very low	55.6	Low	169 Å²	169	144.5 Å²	144.5	74%	0.735	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.9	-3.8	-177.6	-96.2	-166.2	171.1	-167.8	0	116.1	Q557 L558	Q557-K560 PolarHBondContact O-N 3.4Å; Q557-K560 VanDerWaalsContact O-N 3.16Å; L558-K560 PolarHBondContact O-N 2.67Å; L558-K560 VanDerWaalsContact O-N 3.17Å
561	H	51.8	Low	52.9	Low	164 Å²	164	143.4 Å²	143.4	76%	0.759	72%	0.721	S	S	*	*	S	Bend	trans	-114	-4	-171.9	-88.6	-73.2	0	0	0	117.3
562	H	47.8	Very low	50.6	Low	191 Å²	191	143.2 Å²	143.2	88%	0.884	73%	0.727	S	S	*	*			trans	-128.8	98.6	178.2	-69.9	-19.1	0	0	0	112.3
563	G	37.3	Very low	48.4	Very low	66 Å²	66	144 Å²	144	68%	0.68	74%	0.735	S	S	*	*			trans	-178.5	116.6	172.5	0	0	0	0	0	109.2	A565	G563-A565 PolarHBondContact O-N 3.38Å
564	P	41.9	Very low	46	Very low	130 Å²	130	143.4 Å²	143.4	84%	0.844	74%	0.741	S	S	*	*			trans	-77.5	122.5	-170.2	29.2	-33.9	0	0	0	111.8	R566	P564-R566 PolarHBondContact O-N 3.48Å; P564-R566 VanDerWaalsContact O-N 3.11Å
565	A	35.4	Very low	43.9	Very low	102 Å²	102	144.7 Å²	144.7	84%	0.843	75%	0.753	S	S	*	*			trans	-73.6	98.9	170.5	0	0	0	0	0	110.1	G563 A567	G563-A565 PolarHBondContact O-N 3.38Å; A565-A567 VanDerWaalsContact C-N 3.31Å; A565-A567 PolarHBondContact O-N 3.01Å
566	R	37.1	Very low	41.9	Very low	243 Å²	243	146.8 Å²	146.8	92%	0.917	76%	0.763	S	S	*	*			trans	-71.9	90.2	159.4	-81.5	-174.8	171.1	173.9	-3.1	108.6	P564	P564-R566 PolarHBondContact O-N 3.48Å; P564-R566 VanDerWaalsContact O-N 3.11Å
567	A	36.4	Very low	40.2	Very low	90 Å²	90	147.6 Å²	147.6	74%	0.744	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-64.5	140.4	160.4	0	0	0	0	0	108.9	A565	A565-A567 VanDerWaalsContact C-N 3.31Å; A565-A567 PolarHBondContact O-N 3.01Å
568	I	35	Very low	38.6	Very low	157 Å²	157	144.5 Å²	144.5	81%	0.805	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-97.2	120.7	166.4	-64.7	174.6	0	0	0	105.6
569	E	30.5	Very low	38.3	Very low	172 Å²	172	145 Å²	145	80%	0.804	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-68.9	131.1	177.1	-66.3	173.7	127.7	0	0	110.1
570	I	36.1	Very low	36.9	Very low	158 Å²	158	140.9 Å²	140.9	81%	0.81	79%	0.789	S	S	*	*			trans	-105.8	117.2	157.6	-64.2	178.1	0	0	0	105.3	N572	I570-N572 PolarHBondContact O-N 3.3Å
571	I	33.9	Very low	36.1	Very low	133 Å²	133	137.3 Å²	137.3	68%	0.682	79%	0.791	S	S	*	*			trans	-82.8	115.7	-173.7	-58.9	169.7	0	0	0	108.9	V573	I571-V573 HydrophobicContact CG2-CG2 3.62Å
572	N	30.2	Very low	35.2	Very low	138 Å²	138	135.5 Å²	135.5	74%	0.738	80%	0.797	S	S	*	*			trans	-98.7	131.7	153	-87.1	33.9	0	0	0	107.8	I570	I570-N572 PolarHBondContact O-N 3.3Å
573	V	34.8	Very low	34.4	Very low	112 Å²	112	129.7 Å²	129.7	68%	0.679	79%	0.789	S	S	*	*			trans	-110.5	112	171.8	-177.9	0	0	0	0	108.1	I571	I571-V573 HydrophobicContact CG2-CG2 3.62Å
574	E	33.1	Very low	34	Very low	179 Å²	179	139.1 Å²	139.1	84%	0.836	80%	0.804	S	S	*	*			trans	-139.4	79.7	171	-70.1	-174	157.8	0	0	109.1
575	D	34.5	Very low	33.3	Very low	147 Å²	147	136.8 Å²	136.8	79%	0.786	80%	0.803	S	S	*	*			trans	-77.7	155	150.4	-66.6	-60	0	0	0	107.7
576	E	30.6	Very low	33.1	Very low	165 Å²	165	138.2 Å²	138.2	77%	0.771	81%	0.807	S	S	*	*			cis	-156	175.7	24	-150.2	-173.8	-172.3	0	0	111
577	L	31.1	Very low	32.6	Very low	154 Å²	154	129.7 Å²	129.7	81%	0.806	80%	0.795	S	S	*	*			trans	68.2	110	158.8	-63	158.8	0	0	0	120
578	G	29.9	Very low	32.3	Very low	70 Å²	70	133 Å²	133	72%	0.722	80%	0.798	S	S	*	*			trans	-110.5	-149.5	151.3	0	0	0	0	0	110.6
579	P	50.6	Low	32	Very low	138 Å²	138	131.3 Å²	131.3	90%	0.896	80%	0.801	S	S	*	*			cis	-127	177.2	-15.5	41.1	-26.7	0	0	0	112.9
580	G	28	Very low	31.9	Very low	81 Å²	81	126.7 Å²	126.7	84%	0.835	80%	0.799	S	S	*	*			trans	-170.6	142.1	170.7	0	0	0	0	0	113.3
581	A	32.6	Very low	31.6	Very low	93 Å²	93	122.6 Å²	122.6	77%	0.769	80%	0.796	S	S	*	*			trans	-138.1	150.2	-169.6	0	0	0	0	0	114.3
582	S	31.5	Very low	31.4	Very low	127 Å²	127	121.5 Å²	121.5	89%	0.888	80%	0.8	S	S	*	*			trans	63.3	147.4	163.9	65.2	0	0	0	0	118.5
583	G	30.9	Very low	31.4	Very low	69 Å²	69	121.3 Å²	121.3	71%	0.711	80%	0.804	S	S	*	*			trans	-106.5	-170.6	177.4	0	0	0	0	0	114.1
584	R	29.2	Very low	31.2	Very low	263 Å²	263	122 Å²	122	99%	0.992	81%	0.808	S	S	*	*			trans	85.4	118.5	-165	-64.7	-180	159.3	-173.4	-5.4	113.9
585	G	28.5	Very low	30.9	Very low	81 Å²	81	120.1 Å²	120.1	84%	0.835	81%	0.809	S	S	*	*			trans	171.2	119.9	171.2	0	0	0	0	0	110.6
586	S	29.8	Very low	30.7	Very low	133 Å²	133	121.6 Å²	121.6	93%	0.93	81%	0.811	S	S	*	*			trans	-79.2	149.4	-175.6	-55.6	0	0	0	0	113.3
587	G	27	Very low	30.7	Very low	63 Å²	63	119.1 Å²	119.1	65%	0.649	81%	0.812	S	S	*	*				115.5	118.4	116.3	0	0	0	0	0	120
588	I	29.4	Very low	30.7	Very low	160 Å²	160	116.8 Å²	116.8	82%	0.821	82%	0.815	S	S	*	*				68.4	128	129.5	-59.6	168.1	0	0	0	119.1
589	S	29.1	Very low	30.5	Very low	122 Å²	122	117.5 Å²	117.5	85%	0.853	82%	0.823	S	S	*	*			trans	68.8	150.8	162.4	72.2	0	0	0	0	117.9
590	G	28.9	Very low	29.3	Very low	74 Å²	74	114.9 Å²	114.9	76%	0.763	82%	0.821	S	S	*	*			cis	169.6	135.2	-10.7	0	0	0	0	0	114.6
591	G	29.3	Very low	29.2	Very low	73 Å²	73	114.6 Å²	114.6	75%	0.753	82%	0.817	S	S	*	*			trans	76	169.3	175.6	0	0	0	0	0	115.4
592	S	31.2	Very low	29.1	Very low	110 Å²	110	118.5 Å²	118.5	77%	0.769	82%	0.824	S	S	*	*			cis	-177.9	163.8	-20.5	-105.9	0	0	0	0	108.5
593	T	29.9	Very low	28.9	Very low	133 Å²	133	116.3 Å²	116.3	82%	0.816	82%	0.822	S	S	*	*			trans	60.4	123.2	172.8	52.4	0	0	0	0	116.5
594	V	30.4	Very low	28.9	Very low	126 Å²	126	116.7 Å²	116.7	76%	0.764	83%	0.825	S	S	*	*			cis	90.1	97.9	33	-178.6	0	0	0	0	114.9
595	T	27	Very low	28.9	Very low	141 Å²	141	109.1 Å²	109.1	87%	0.865	81%	0.812	S	S	*	*			trans	-176.2	123.3	147.9	36.4	0	0	0	0	105.5
596	Q	30.6	Very low	29	Very low	177 Å²	177	114.4 Å²	114.4	83%	0.827	82%	0.815	S	S	*	*			cis	86	137.7	18.7	-142.8	-171	60.8	0	0	116.3
597	S	29.7	Very low	29	Very low	113 Å²	113	112.6 Å²	112.6	79%	0.79	80%	0.803	S	S	*	*			trans	69.7	138.7	-171.8	72.5	0	0	0	0	116
598	A	30.1	Very low	28.9	Very low	106 Å²	106	116.7 Å²	116.7	88%	0.876	81%	0.809	S	S	*	*			cis	115.1	134.8	-3	0	0	0	0	0	116.5
599	G	27	Very low	28.9	Very low	85 Å²	85	119.6 Å²	119.6	88%	0.876	81%	0.81	S	S	*	*			trans	94.8	151.6	178.8	0	0	0	0	0	114.6
600	G	24.9	Very low	28.9	Very low	83 Å²	83	120.4 Å²	120.4	86%	0.856	80%	0.804	S	S	*	*			cis	159.7	118	-12.6	0	0	0	0	0	115.2
601	G	26.5	Very low	28.7	Very low	74 Å²	74	124.7 Å²	124.7	76%	0.763	80%	0.803	S	S	*	*			trans	80.6	170.5	168.4	0	0	0	0	0	117.1
602	I	29.7	Very low	28.9	Very low	175 Å²	175	129.2 Å²	129.2	90%	0.897	81%	0.805	S	S	*	*			cis	-160.5	145.5	-9.1	-110.3	160	0	0	0	110.5
603	G	28.6	Very low	29.7	Very low	82 Å²	82	128.9 Å²	128.9	85%	0.845	80%	0.8	S	S	*	*			trans	75.3	152.5	161.6	0	0	0	0	0	117.6
604	G	29.7	Very low	29.7	Very low	76 Å²	76	131 Å²	131	78%	0.784	80%	0.801	S	S	*	*			cis	-178.7	153.1	-6.3	0	0	0	0	0	107.6
605	S	28.9	Very low	29.6	Very low	104 Å²	104	133.1 Å²	133.1	73%	0.727	81%	0.806	S	S	*	*				-179.6	154.7	54.5	58.5	0	0	0	0	113.1
606	Q	31.4	Very low	29.7	Very low	192 Å²	192	132.2 Å²	132.2	90%	0.897	80%	0.8	S	S	*	*			trans	66.4	146.8	156.5	-67.3	177.8	23.7	0	0	118.7
607	S	29.3	Very low	29.5	Very low	95 Å²	95	130.3 Å²	130.3	66%	0.664	80%	0.795	S	S	*	*			cis	-162.8	165.7	-12.7	-173	0	0	0	0	111.6
608	L	26	Very low	29.6	Very low	149 Å²	149	132 Å²	132	78%	0.78	80%	0.795	S	S	*	*			trans	68.4	118.6	176	-57.9	119.1	0	0	0	116.7
609	R	28.2	Very low	30.1	Very low	221 Å²	221	132.9 Å²	132.9	83%	0.834	79%	0.792	S	S	*	*				73.7	133	55.2	-73.5	-170.8	164.3	-170.4	-3.4	113.1
610	L	28.7	Very low	30.2	Very low	140 Å²	140	135.7 Å²	135.7	73%	0.733	79%	0.787	S	S	*	*			cis	-166.3	159.5	2.4	-91.1	155.3	0	0	0	106.8
611	H	26.3	Very low	30.3	Very low	163 Å²	163	139.9 Å²	139.9	76%	0.755	79%	0.789	S	S	*	*			cis	-167	-176.9	-19.4	-152.2	-112.3	0	0	0	111.5
612	H	32.3	Very low	30.3	Very low	168 Å²	168	141 Å²	141	78%	0.778	79%	0.79	S	S	*	*			trans	-99.8	-177.8	165.5	-75.7	68.5	0	0	0	110
613	P	47.7	Very low	30.3	Very low	104 Å²	104	144 Å²	144	68%	0.675	79%	0.79	S	S	*	*			cis	-155.1	-170.4	24.7	46.9	-23.6	0	0	0	120.2
614	E	30.1	Very low	30.2	Very low	177 Å²	177	144.8 Å²	144.8	83%	0.827	78%	0.783	S	S	*	*			trans	10.8	145.3	145	-59.2	170	148.9	0	0	124.2
615	I	28.5	Very low	30.1	Very low	171 Å²	171	147.4 Å²	147.4	88%	0.877	78%	0.779	S	S	*	*			trans	-144.1	155.4	149.4	-69.5	-167.8	0	0	0	110.6
616	V	29.4	Very low	30.1	Very low	121 Å²	121	150.5 Å²	150.5	73%	0.733	78%	0.782	S	S	*	*			trans	-118.8	149.8	-174.2	171.1	0	0	0	0	113.5
617	N	26.9	Very low	30	Very low	137 Å²	137	149.9 Å²	149.9	73%	0.733	78%	0.784	S	S	*	*			trans	5.2	131.9	166.1	-63.3	-24.6	0	0	0	123.6
618	L	31.7	Very low	29.9	Very low	149 Å²	149	151.5 Å²	151.5	78%	0.78	79%	0.785	S	S	*	*			trans	46.1	138.5	135.5	-77.8	109.3	0	0	0	121.6
619	P	40	Very low	30	Very low	125 Å²	125	151.6 Å²	151.6	81%	0.812	78%	0.781	S	S	*	*				-151.3	-171.8	74.5	41.5	-21.3	0	0	0	117.6
620	N	29.3	Very low	29.9	Very low	144 Å²	144	150.5 Å²	150.5	77%	0.77	78%	0.778	S	S	*	*			trans	-71.3	155.4	-178.1	-59.7	-59.5	0	0	0	115.6
621	L	26.9	Very low	29.7	Very low	171 Å²	171	154.7 Å²	154.7	90%	0.895	79%	0.786	S	S	*	*			trans	-163.4	142.1	136.1	-138.2	79.6	0	0	0	116.3
622	A	27	Very low	29.7	Very low	97 Å²	97	156 Å²	156	80%	0.802	79%	0.79	S	S	*	*			trans	61.4	169.2	145.2	0	0	0	0	0	122.5
623	R	28.3	Very low	29.4	Very low	238 Å²	238	153.5 Å²	153.5	90%	0.898	79%	0.786	S	S	*	*			trans	-141.8	158	-154.4	170.5	-176.8	-179.9	169	1	110.6
624	S	27.6	Very low	28.4	Very low	98 Å²	98	157.8 Å²	157.8	69%	0.685	80%	0.796	S	S	*	*			trans	81	150.5	177	103.7	0	0	0	0	114.9
625	D	27.3	Very low	28.2	Very low	131 Å²	131	157.3 Å²	157.3	70%	0.701	79%	0.794	S	S	*	*			cis	-140.5	172.7	14	-113.8	-51.5	0	0	0	115.9
626	H	28.6	Very low	28.1	Very low	170 Å²	170	158.9 Å²	158.9	79%	0.787	80%	0.795	S	S	*	*			trans	-12.3	132.9	171.6	-77.2	-90.7	0	0	0	120.4
627	L	29.1	Very low	27.9	Very low	179 Å²	179	160.3 Å²	160.3	94%	0.937	80%	0.798	S	S	*	*				-152.6	147.1	127.6	-116.2	164.9	0	0	0	111.6
628	N	27.5	Very low	28	Very low	129 Å²	129	158.8 Å²	158.8	69%	0.69	80%	0.798	S	S	*	*			trans	-116	162.3	-175.4	-157.3	-11.5	0	0	0	109.9
629	H	27.7	Very low	27.8	Very low	150 Å²	150	159.5 Å²	159.5	69%	0.694	80%	0.803	S	S	*	*			trans	96.6	148.5	161.6	-68.9	-11.8	0	0	0	122.9
630	Y	26.3	Very low	27.2	Very low	198 Å²	198	161 Å²	161	78%	0.776	80%	0.801	S	S	*	*			trans	65.5	83.5	163	-71.1	-64.2	0	0	0	120.2
631	Y	26.3	Very low	27.3	Very low	228 Å²	228	162.5 Å²	162.5	89%	0.894	81%	0.806	S	S	*	*				-35.9	132.2	122.6	-100.1	-101	0	0	0	111.2
632	K	25.3	Very low	27.3	Very low	192 Å²	192	157.8 Å²	157.8	84%	0.835	80%	0.798	S	S	*	*			trans	-143.1	136.9	157	-145.5	169.8	-172.4	175.8	0	111.3
633	T	26	Very low	27.3	Very low	114 Å²	114	162.1 Å²	162.1	70%	0.699	81%	0.807	S	S	*	*			trans	-84.1	129.5	-169	37.1	0	0	0	0	112.4	H635	T633-H635 VanDerWaalsContact C-N 3.3Å; T633-H635 PolarHBondContact O-N 3Å; T633-H635 VanDerWaalsContact O-N 3.12Å
634	H	26.8	Very low	27.2	Very low	194 Å²	194	154 Å²	154	90%	0.898	80%	0.797	S	S	*	*			trans	-81.7	77.8	162.8	-90.3	-82	0	0	0	110.2	F636	H634-F636 PolarHBondContact O-N 3.41Å
635	H	26.7	Very low	27.3	Very low	168 Å²	168	159.2 Å²	159.2	78%	0.778	81%	0.813	S	S	*	*			trans	-74.2	121.1	160.9	-111.2	-79.4	0	0	0	109.1	T633 N637	T633-H635 VanDerWaalsContact C-N 3.3Å; T633-H635 PolarHBondContact O-N 3Å; T633-H635 VanDerWaalsContact O-N 3.12Å; H635-N637 PolarHBondContact O-N 3.18Å
636	F	25.5	Very low	27.2	Very low	203 Å²	203	156.7 Å²	156.7	89%	0.89	82%	0.819	S	S	*	*			trans	-57.5	135.4	153.7	-89	-107.2	0	0	0	108.2	H634	H634-F636 PolarHBondContact O-N 3.41Å
637	N	25.8	Very low	27.2	Very low	152 Å²	152	155.9 Å²	155.9	81%	0.813	83%	0.826	S	S	*	*			trans	-130.4	138.1	155.7	-165.5	16.5	0	0	0	109.5	H635	H635-N637 PolarHBondContact O-N 3.18Å
638	S	28.6	Very low	27.1	Very low	104 Å²	104	150.8 Å²	150.8	73%	0.727	82%	0.817	S	S	*	*			trans	-72	146.7	176.8	-61.5	0	0	0	0	110.6
639	N	27.7	Very low	27.2	Very low	165 Å²	165	151 Å²	151	88%	0.882	83%	0.828	S	S	*	*			trans	-143.2	116.9	158.2	-109.5	-28.2	0	0	0	108.9
640	M	27	Very low	27.1	Very low	157 Å²	157	147.3 Å²	147.3	77%	0.773	83%	0.831	S	S	*	*			trans	-118.6	138.1	159.3	-170.8	165.7	-179.9	0	0	107.9
641	M	31.3	Very low	27.3	Very low	175 Å²	175	145.1 Å²	145.1	86%	0.862	84%	0.838	S	S	*	*			trans	-56.5	148.2	-159.8	-62.1	168.8	-75.5	0	0	115.2
642	G	26.4	Very low	27.2	Very low	72 Å²	72	137.4 Å²	137.4	74%	0.742	83%	0.828	S	S	*	*			trans	-101.2	163.6	163.4	0	0	0	0	0	112.9
643	L	27.8	Very low	27.5	Very low	187 Å²	187	136.6 Å²	136.6	98%	0.979	83%	0.832	S	S	*	*			trans	-143.3	146.6	165	-66.6	171.8	0	0	0	106.3
644	G	26.6	Very low	27.6	Very low	68 Å²	68	137.8 Å²	137.8	70%	0.701	83%	0.834	S	S	*	*			cis	172.5	114.4	-8.4	0	0	0	0	0	111.5
645	M	29.2	Very low	27.7	Very low	207 Å²	207	136 Å²	136	100%	1.02	83%	0.831	S	S	*	*			trans	57.2	134.2	169.3	-68.6	-169.8	166.5	0	0	120.4
646	G	26.2	Very low	27.9	Very low	79 Å²	79	135.2 Å²	135.2	81%	0.814	83%	0.833	S	S	*	*			trans	-172.4	104.8	166.2	0	0	0	0	0	110.1
647	T	27.8	Very low	28.1	Very low	152 Å²	152	133.4 Å²	133.4	93%	0.933	83%	0.832	S	S	*	*			trans	-87.9	134	-174.9	50.1	0	0	0	0	112.1
648	G	27.6	Very low	28.1	Very low	73 Å²	73	133 Å²	133	75%	0.753	83%	0.83	S	S	*	*			trans	-167.9	125.6	174.1	0	0	0	0	0	114.1
649	S	28.8	Very low	28.3	Very low	132 Å²	132	133.7 Å²	133.7	92%	0.923	83%	0.832	S	S	*	*			trans	-42.4	140.1	177.5	-47.9	0	0	0	0	115.6
650	G	25.4	Very low	28.4	Very low	74 Å²	74	130.7 Å²	130.7	76%	0.763	82%	0.824	S	S	*	*			trans	-92.4	162.8	174.8	0	0	0	0	0	114.5
651	V	29.9	Very low	28.9	Very low	151 Å²	151	129.1 Å²	129.1	92%	0.915	83%	0.825	S	S	*	*			trans	-137.1	135.5	152.8	166.6	0	0	0	0	105.6
652	G	25.8	Very low	28.6	Very low	66 Å²	66	127.3 Å²	127.3	68%	0.68	83%	0.828	S	S	*	*			trans	-89.3	167.6	-176.2	0	0	0	0	0	113.7
653	L	30.2	Very low	28.7	Very low	175 Å²	175	128.8 Å²	128.8	92%	0.916	83%	0.827	S	S	*	*			trans	-159.8	158	151.6	-108	169.5	0	0	0	109.7
654	N	28.6	Very low	28.8	Very low	140 Å²	140	129 Å²	129	75%	0.749	82%	0.823	S	S	*	*			trans	-72.8	146.9	-174.2	-64.9	-27.6	0	0	0	112.6
655	N	28.6	Very low	28.8	Very low	156 Å²	156	130.5 Å²	130.5	83%	0.834	82%	0.823	S	S	*	*				-173.9	142.8	103.3	-91.7	-25.6	0	0	0	113.3
656	N	30.4	Very low	28.6	Very low	152 Å²	152	128.9 Å²	128.9	81%	0.813	81%	0.813	S	S	*	*			trans	-74.9	143.7	159.9	-68.1	-39.6	0	0	0	109.2
657	N	30.1	Very low	28.6	Very low	165 Å²	165	130.2 Å²	130.2	88%	0.882	81%	0.81	S	S	*	*				-164.6	133.3	128.3	-103.6	-23.6	0	0	0	113
658	N	27	Very low	28.6	Very low	144 Å²	144	130.7 Å²	130.7	77%	0.77	81%	0.805	S	S	*	*			trans	-108.4	126.6	169	171	32	0	0	0	107.7
659	P	32.9	Very low	28.3	Very low	117 Å²	117	132.4 Å²	132.4	76%	0.76	81%	0.805	S	S	*	*			trans	-121.8	117.4	174.8	35.2	-22	0	0	0	114.1
660	S	28.6	Very low	28.1	Very low	103 Å²	103	132.2 Å²	132.2	72%	0.72	80%	0.803	S	S	*	*			trans	-161.6	159.8	149.4	59.5	0	0	0	0	109.1
661	P	38.3	Very low	28.3	Very low	124 Å²	124	134 Å²	134	81%	0.805	80%	0.804	S	S	*	*			cis	-110	175	-13.6	39.4	-28.8	0	0	0	112.1
662	C	24.6	Very low	28.2	Very low	137 Å²	137	136 Å²	136	93%	0.926	80%	0.803	S	S	*	*			trans	-100.8	141	172.5	-68.7	0	0	0	0	112.3
663	S	28.3	Very low	28.3	Very low	103 Å²	103	139.6 Å²	139.6	72%	0.72	81%	0.812	S	S	*	*			trans	-142.9	144.8	173.2	62	0	0	0	0	111.2
664	Q	29.6	Very low	28.6	Very low	191 Å²	191	136.5 Å²	136.5	89%	0.893	80%	0.802	S	S	*	*			trans	71.2	138.6	168.3	-60.3	-174	-3.7	0	0	118.8
665	S	26.7	Very low	28.6	Very low	100 Å²	100	135.3 Å²	135.3	70%	0.699	80%	0.804	S	S	*	*			trans	-52	147.3	169.6	50.4	0	0	0	0	115.9
666	Q	26.1	Very low	28.5	Very low	173 Å²	173	133.1 Å²	133.1	81%	0.808	80%	0.802	S	S	*	*				-172.7	163.1	99	-99.1	-178.6	8.8	0	0	113.2
667	S	25	Very low	28.4	Very low	106 Å²	106	132.5 Å²	132.5	74%	0.741	80%	0.803	S	S	*	*			trans	8.6	130.3	162.7	57.3	0	0	0	0	121.2
668	I	27.3	Very low	28.3	Very low	162 Å²	162	128.7 Å²	128.7	83%	0.831	80%	0.803	S	S	*	*			trans	-124.2	125.4	149.2	-65.5	179.8	0	0	0	109.2
669	S	22.7	Very low	28.3	Very low	109 Å²	109	125.7 Å²	125.7	76%	0.762	81%	0.806	S	S	*	*			trans	-94.2	126.7	166.7	52.9	0	0	0	0	110
670	C	24.3	Very low	28	Very low	129 Å²	129	123.8 Å²	123.8	87%	0.872	81%	0.808	S	S	*	*			trans	-81.2	126.3	177.5	-65.5	0	0	0	0	112
671	S	28.2	Very low	28	Very low	112 Å²	112	125.1 Å²	125.1	78%	0.783	81%	0.812	S	S	*	*			trans	-107.7	104.9	176.9	57.8	0	0	0	0	112.5
672	Q	28.4	Very low	27.6	Very low	191 Å²	191	123.6 Å²	123.6	89%	0.893	80%	0.804	S	S	*	*			trans	47.1	132.4	147.5	-58.9	-170.1	-5.3	0	0	122.1
673	V	28.3	Very low	27.8	Very low	143 Å²	143	123.7 Å²	123.7	87%	0.867	80%	0.8	S	S	*	*			trans	-129.2	143.6	153	175.4	0	0	0	0	106.2
674	P	37	Very low	27.7	Very low	110 Å²	110	124.7 Å²	124.7	71%	0.714	81%	0.806	S	S	*	*			trans	-95	140.9	-148.9	34.9	-37	0	0	0	117.6
675	S	27.2	Very low	27.5	Very low	114 Å²	114	118.4 Å²	118.4	80%	0.797	79%	0.792	S	S	*	*			trans	32	122.6	143.2	64.8	0	0	0	0	122.4
676	S	27.1	Very low	27.7	Very low	111 Å²	111	119.3 Å²	119.3	78%	0.776	79%	0.794	S	S	*	*				-151.5	151.8	126.3	57.8	0	0	0	0	112.4
677	T	29.4	Very low	27.9	Very low	138 Å²	138	118.7 Å²	118.7	85%	0.847	80%	0.795	S	S	*	*			trans	-6.6	140.4	164.5	52.7	0	0	0	0	119.7
678	G	26.7	Very low	28.9	Very low	85 Å²	85	118.9 Å²	118.9	88%	0.876	79%	0.794	S	S	*	*			cis	147.4	140.2	-1.4	0	0	0	0	0	112.6
679	G	26.7	Very low	28.9	Very low	82 Å²	82	116.6 Å²	116.6	85%	0.845	79%	0.793	S	S	*	*			trans	149.5	151.4	178.6	0	0	0	0	0	113.6
680	G	27.7	Very low	29.3	Very low	76 Å²	76	118.2 Å²	118.2	78%	0.784	80%	0.798	S	S	*	*			trans	-85.8	-168.1	-178.3	0	0	0	0	0	114.7
681	T	29	Very low	29.6	Very low	131 Å²	131	119.3 Å²	119.3	80%	0.804	80%	0.8	S	S	*	*			cis	-155.4	142.7	12.3	46.2	0	0	0	0	113.6
682	S	29	Very low	29.6	Very low	93 Å²	93	117.9 Å²	117.9	65%	0.65	80%	0.795	S	S	*	*			trans	52.9	115.6	140.8	67.9	0	0	0	0	124
683	T	29.7	Very low	29.6	Very low	138 Å²	138	116.7 Å²	116.7	85%	0.847	79%	0.794	S	S	*	*				63.2	153.4	126.9	57.4	0	0	0	0	122.6
684	C	25	Very low	30.5	Very low	125 Å²	125	115.9 Å²	115.9	85%	0.845	79%	0.792	S	S	*	*			cis	-172.6	163.3	-19.7	-173.8	0	0	0	0	109.4
685	G	26.7	Very low	30.2	Very low	58 Å²	58	119.4 Å²	119.4	60%	0.598	80%	0.799	S	S	*	*			trans	152.6	80.8	169.3	0	0	0	0	0	114.7
686	T	30.1	Very low	30.3	Very low	119 Å²	119	122.2 Å²	122.2	73%	0.73	80%	0.804	S	S	*	*				65.9	106.1	98.6	59.1	0	0	0	0	115.4
687	L	29.6	Very low	30.3	Very low	161 Å²	161	119.9 Å²	119.9	84%	0.843	80%	0.797	S	S	*	*				81.2	158.8	69.8	-80.2	167.9	0	0	0	114
688	P	47.3	Very low	30.3	Very low	109 Å²	109	122 Å²	122	71%	0.708	80%	0.802	S	S	*	*			cis	-134.4	-179.4	-8.4	40.4	-24	0	0	0	115.4
689	S	28.1	Very low	30.5	Very low	115 Å²	115	126.4 Å²	126.4	80%	0.804	80%	0.8	S	S	*	*				-177.7	126.7	124.1	35.3	0	0	0	0	113.9
690	T	30.3	Very low	30.5	Very low	142 Å²	142	128.3 Å²	128.3	87%	0.871	80%	0.8	S	S	*	*			trans	-158.1	137	169.5	41.4	0	0	0	0	110.6
691	V	30.2	Very low	30.6	Very low	153 Å²	153	130.1 Å²	130.1	93%	0.927	80%	0.801	S	S	*	*			trans	-150.6	155.3	162.3	-174.5	0	0	0	0	108.2
692	A	28.4	Very low	30.6	Very low	82 Å²	82	132 Å²	132	68%	0.678	81%	0.805	S	S	*	*			trans	-151.2	-177.1	-175.7	0	0	0	0	0	113.3
693	L	28.8	Very low	30.6	Very low	166 Å²	166	137.1 Å²	137.1	87%	0.869	82%	0.816	S	S	*	*			trans	78.7	162.2	165	-59.5	165	0	0	0	117.5
694	P	46.1	Very low	30.5	Very low	125 Å²	125	134.1 Å²	134.1	81%	0.812	81%	0.813	S	S	*	*			cis	-135.1	-153.2	-35.3	36.9	-17.3	0	0	0	114.1
695	Q	31.2	Very low	30.7	Very low	185 Å²	185	136.8 Å²	136.8	86%	0.864	82%	0.818	S	S	*	*			trans	-89.9	157.1	-167.4	-53.1	169.7	-83.9	0	0	116.9
696	L	30.4	Very low	30.9	Very low	172 Å²	172	143 Å²	143	90%	0.901	83%	0.833	S	S	*	*				172.8	157.4	125.9	-93	168.7	0	0	0	110.3
697	G	26.9	Very low	30.7	Very low	62 Å²	62	141.1 Å²	141.1	64%	0.639	84%	0.837	S	S	*	*			cis	133.6	96.1	-16.7	0	0	0	0	0	115.7
698	L	29.5	Very low	30.9	Very low	182 Å²	182	143.7 Å²	143.7	95%	0.953	84%	0.842	S	S	*	*			trans	-157.9	168	169.3	-113.4	173.7	0	0	0	114.6
699	H	29.2	Very low	29.9	Very low	179 Å²	179	142.3 Å²	142.3	83%	0.829	85%	0.847	S	S	*	*			trans	-112.7	150.8	-164.2	-127.2	-112	0	0	0	113.5
700	S	27.1	Very low	30.1	Very low	122 Å²	122	145.3 Å²	145.3	85%	0.853	85%	0.848	S	S	*	*			trans	176.8	167.9	132.2	46.1	0	0	0	0	112.1
701	S	30	Very low	30	Very low	114 Å²	114	146.6 Å²	146.6	80%	0.797	85%	0.85	S	S	*	*			trans	-152.2	146.1	-172.2	172.4	0	0	0	0	110.8
702	L	30.1	Very low	30	Very low	171 Å²	171	148 Å²	148	90%	0.895	85%	0.846	S	S	*	*			trans	-155.1	163.8	166	-114.4	162.6	0	0	0	112.6
703	K	28.5	Very low	30.4	Very low	199 Å²	199	149.5 Å²	149.5	87%	0.865	85%	0.849	S	S	*	*			trans	-92.8	155.7	-161.9	-65.9	169.3	177.5	172.9	0	112.8
704	G	28	Very low	30.3	Very low	76 Å²	76	149.4 Å²	149.4	78%	0.784	85%	0.848	S	S	*	*			trans	-82.7	-166.1	179.8	0	0	0	0	0	115.4
705	L	28.3	Very low	29.4	Very low	181 Å²	181	150.4 Å²	150.4	95%	0.948	85%	0.846	S	S	*	*			trans	-147.9	156.2	177.1	-109.5	165.3	0	0	0	110.3
706	M	30.3	Very low	29.2	Very low	189 Å²	189	151.2 Å²	151.2	93%	0.931	85%	0.847	S	S	*	*			trans	-89.6	152	176.7	-60.5	-178.3	-172.6	0	0	111.6
707	G	27.5	Very low	29.1	Very low	79 Å²	79	151.4 Å²	151.4	81%	0.814	84%	0.841	S	S	*	*			trans	-148	130.1	165.9	0	0	0	0	0	111
708	K	32.2	Very low	29.2	Very low	215 Å²	215	154.4 Å²	154.4	94%	0.935	85%	0.852	S	S	*	*			trans	-91.5	148.2	172.6	-74.1	-176.7	176.2	-178.2	0	110.3
709	G	27.7	Very low	29	Very low	79 Å²	79	149.1 Å²	149.1	81%	0.814	84%	0.842	S	S	*	*			trans	-156.9	121.2	163.8	0	0	0	0	0	110.4
710	Q	31.6	Very low	28.9	Very low	179 Å²	179	146.5 Å²	146.5	84%	0.836	84%	0.843	S	S	*	*			trans	-107.9	144.8	169.9	-65.9	170.5	-94.8	0	0	108.4
711	N	28.1	Very low	29.1	Very low	169 Å²	169	149.6 Å²	149.6	90%	0.904	84%	0.841	S	S	*	*				-173.9	169.6	127	-96	-7.2	0	0	0	112.4
712	E	30.8	Very low	29.1	Very low	183 Å²	183	153.4 Å²	153.4	86%	0.855	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-86.7	168.1	-163.4	-93.9	-165	140.3	0	0	116
713	P	35.5	Very low	29	Very low	112 Å²	112	152.3 Å²	152.3	73%	0.727	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-81.3	157.2	-176.1	34.1	-37.3	0	0	0	113.8
714	L	27.7	Very low	28.9	Very low	164 Å²	164	149 Å²	149	86%	0.859	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-101	117.7	170.4	-80.2	169.4	0	0	0	111.8
715	L	27.5	Very low	29	Very low	146 Å²	146	153.1 Å²	153.1	76%	0.764	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-74.7	142.5	159.4	-81.2	114.5	0	0	0	110.4
716	F	25.8	Very low	29	Very low	202 Å²	202	153.2 Å²	153.2	89%	0.886	83%	0.832	S	S	*	*			trans	-133.6	148.2	146.6	-96.9	-83	0	0	0	109.7
717	K	28	Very low	29	Very low	177 Å²	177	150.4 Å²	150.4	77%	0.77	83%	0.826	S	S	*	*			trans	-151.8	131.9	-164.1	-176.5	-176.8	-178.4	-177	0	111.3
718	S	28.9	Very low	29.1	Very low	125 Å²	125	155.7 Å²	155.7	87%	0.874	83%	0.829	S	S	*	*			trans	62.3	156.5	178	69.9	0	0	0	0	115.7
719	G	26.9	Very low	29.4	Very low	71 Å²	71	157 Å²	157	73%	0.732	84%	0.844	S	S	*	*			cis	-146.3	173	-4.6	0	0	0	0	0	109.6
720	S	27.4	Very low	29.5	Very low	124 Å²	124	160.9 Å²	160.9	87%	0.867	85%	0.846	S	S	*	*				-154.2	174.7	58.8	47.8	0	0	0	0	113
721	K	31	Very low	29.4	Very low	187 Å²	187	159.9 Å²	159.9	81%	0.813	85%	0.846	S	S	*	*			trans	-113.2	141.5	164.5	-70.1	-177.2	175.9	-174	0	108.7
722	E	28.8	Very low	29.5	Very low	194 Å²	194	159.4 Å²	159.4	91%	0.907	84%	0.843	S	S	*	*			trans	-131.7	138.1	144.1	-70.1	-166.2	131.8	0	0	108.7
723	N	27.8	Very low	29.4	Very low	147 Å²	147	158.1 Å²	158.1	79%	0.786	84%	0.842	S	S	*	*			trans	-97.7	155.2	166.1	-64.2	-12.8	0	0	0	107.4
724	V	27.4	Very low	29	Very low	129 Å²	129	160.9 Å²	160.9	78%	0.782	85%	0.849	S	S	*	*				-160.8	121.9	130	133.7	0	0	0	0	111
725	Q	28.9	Very low	29.1	Very low	163 Å²	163	160.7 Å²	160.7	76%	0.762	85%	0.849	S	S	*	*			trans	36.3	127.1	151.2	-60	-179.7	-105.6	0	0	122.6
726	E	28.3	Very low	29.2	Very low	183 Å²	183	161.8 Å²	161.8	86%	0.855	86%	0.855	S	S	*	*			trans	-60	149.8	143.6	-56.7	159	107.3	0	0	111.1
727	T	32.2	Very low	29.5	Very low	131 Å²	131	158.7 Å²	158.7	80%	0.804	85%	0.852	S	S	*	*			trans	-129.5	118.4	161	48	0	0	0	0	110.4
728	Q	28.4	Very low	29.6	Very low	190 Å²	190	157.2 Å²	157.2	89%	0.888	86%	0.859	S	S	*	*			trans	-80.4	128.1	168.4	-64	173.3	-24	0	0	110.2
729	I	39.1	Very low	29.7	Very low	242 Å²	242	160.1 Å²	160.1	100%	1.241	86%	0.858	S	S	*	*			trans	-141.5	0	144.8	-58.7	-172.9	0	0	0	106.6

Retrieved 729 of 729 residues in 846.4 ms (Link to these results)

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