A0A060YTF4_ONCMY Loading...

Leucine rich repeat containing 4C, genome duplicate a

AlphaFold DB , UniProt , Accession A0A060YTF4, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110497165, Length 645 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	36.2	Very low	28.6	Very low	243 Å²	243	160.4 Å²	160.4	100%	1.197	81%	0.812	S	S	*	*				0	178.3	0	-86	179	166.7	0	0	109.4
2	L	29.3	Very low	28.5	Very low	144 Å²	144	163.7 Å²	163.7	75%	0.754	82%	0.822	S	S	*	*			trans	-52.7	149.5	-165.9	-81.2	61.4	0	0	0	117.2
3	N	26.7	Very low	28.9	Very low	129 Å²	129	161.2 Å²	161.2	69%	0.69	82%	0.821	S	S	*	*			trans	51	130.8	134.4	-59.3	-16.7	0	0	0	120.6
4	K	28.3	Very low	28.8	Very low	190 Å²	190	162.8 Å²	162.8	83%	0.826	83%	0.827	S	S	*	*				62.4	108.6	59.7	-81.6	-171	170.8	-178.1	0	114.7
5	M	28.6	Very low	29	Very low	177 Å²	177	168 Å²	168	87%	0.872	83%	0.832	S	S	*	*				-168.3	116.3	125.1	-95.6	169.7	177.2	0	0	105.7
6	T	29	Very low	29.2	Very low	118 Å²	118	162.1 Å²	162.1	72%	0.724	83%	0.827	S	S	*	*				60.7	136.3	73.2	64.4	0	0	0	0	114
7	S	28.3	Very low	30.2	Very low	107 Å²	107	159.9 Å²	159.9	75%	0.748	83%	0.827	S	S	*	*			cis	178	147.6	-8.3	46.6	0	0	0	0	110.7
8	S	26.2	Very low	30.8	Very low	114 Å²	114	164.8 Å²	164.8	80%	0.797	83%	0.833	S	S	*	*			trans	-168.7	144.8	139.2	52.8	0	0	0	0	112.7
9	W	25.8	Very low	31.2	Very low	236 Å²	236	169.2 Å²	169.2	89%	0.894	84%	0.838	S	S	*	*			trans	-92.2	169	154.8	-64.4	58.9	0	0	0	106.1
10	Q	27.3	Very low	31.9	Very low	143 Å²	143	168.4 Å²	168.4	67%	0.668	84%	0.837	S	S	*	*			cis	-166.1	152.9	28.8	-160.8	166.2	-63.2	0	0	111.4
11	Q	28.9	Very low	32.7	Very low	163 Å²	163	171.3 Å²	171.3	76%	0.762	84%	0.839	S	S	*	*			trans	41	119.7	156.3	-75	166.8	-43.6	0	0	121.4
12	Q	27.5	Very low	33.4	Very low	200 Å²	200	164.2 Å²	164.2	94%	0.935	81%	0.809	S	S	*	*				-156.4	169.2	112.7	-110	175.6	20.6	0	0	111.6
13	T	34.1	Very low	34.3	Very low	132 Å²	132	165.3 Å²	165.3	81%	0.81	82%	0.815	S	S	*	*			trans	-107.5	152.7	-161.3	50.7	0	0	0	0	114.4
14	M	26.5	Very low	35.5	Very low	183 Å²	183	164 Å²	164	90%	0.901	82%	0.815	S	S	*	*			trans	-161.7	171.8	150.2	-108.8	-56.3	-176.1	0	0	112.5
15	R	32.2	Very low	36.9	Very low	241 Å²	241	158.9 Å²	158.9	91%	0.909	80%	0.797	S	S	*	*			trans	-90.7	152.3	-165.6	-58.6	168.9	174.2	172.4	-3.5	114.7
16	G	32.7	Very low	38.4	Very low	73 Å²	73	155.4 Å²	155.4	75%	0.753	79%	0.788	S	S	*	*			trans	179.4	131.3	164.2	0	0	0	0	0	113.6
17	P	45.8	Very low	40.1	Very low	126 Å²	126	155.2 Å²	155.2	82%	0.818	78%	0.782	S	S	*	*			trans	-98.8	165.5	-168.1	37.4	-36.1	0	0	0	117
18	R	41.1	Very low	41.9	Very low	248 Å²	248	154.6 Å²	154.6	94%	0.936	77%	0.766	S	S	*	*			trans	-65.3	129	-174.3	-66.8	166.8	164.7	156	-7.9	114.9
19	W	39.4	Very low	44	Very low	247 Å²	247	153.3 Å²	153.3	94%	0.936	75%	0.753	S	S	*	*			trans	-96.7	90.6	159.6	-80.6	64.2	0	0	0	110.5
20	N	44.7	Very low	46.1	Very low	153 Å²	153	147.3 Å²	147.3	82%	0.818	74%	0.738	S	S	*	*			trans	-163.4	40.1	170.4	-120.7	-15	0	0	0	115.5
21	R	48.3	Very low	48.1	Very low	231 Å²	231	144.6 Å²	144.6	87%	0.872	73%	0.727	S	S	*	*			trans	-147.6	63.9	175.3	-77.2	-165.9	172.4	-172.4	-3.3	112.6
22	V	51.1	Low	50.1	Low	93 Å²	93	140.6 Å²	140.6	56%	0.564	71%	0.711	S	S	*	*	S	Bend	trans	-131.1	-20.9	174.5	-172.8	0	0	0	0	112.5
23	L	49	Very low	52	Low	168 Å²	168	133 Å²	133	88%	0.88	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.5	8.3	-175.9	-75.9	164.3	0	0	0	115
24	S	51.7	Low	53.5	Low	100 Å²	100	131.4 Å²	131.4	70%	0.699	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.7	15	-173.2	71.2	0	0	0	0	114.3
25	D	56.9	Low	55.2	Low	84 Å²	84	128.8 Å²	128.8	45%	0.449	65%	0.654	S	S	.	*			trans	-98.2	116.8	178.4	-167.9	-42.4	0	0	0	109.7	L27 F28 V29	D25-L27 PolarHBondContact O-N 3.17Å; D25-L27 WeakPolarHBondContact OD1-CA 3.47Å; D25-L27 VanDerWaalsContact OD1-CB 3.24Å; D25-L27 WeakPolarHBondContact OD1-CB 3.36Å; D25-L27 PolarHBondContact OD1-N 3.17Å; D25-F28 HydrophobicContact CB-CB 4Å; D25-F28 PolarHBondContact O-N 3.1Å; D25-V29 PolarHBondContact O-N 3.32Å; D25-V29 VanDerWaalsContact O-N 3.1Å
26	P	60.6	Low	56.5	Low	104 Å²	104	122.6 Å²	122.6	68%	0.675	64%	0.638	S	S	*	*	H	α-helix	trans	-64.2	-24.9	-179	27.8	-35.1	0	0	0	112.6	L30	P26-L30 VanDerWaalsContact O-CB 3.29Å; P26-L30 WeakPolarHBondContact O-CB 3.29Å; P26-L30 PolarHBondContact O-N 2.91Å
27	L	63.7	Low	57.6	Low	113 Å²	113	124.9 Å²	124.9	59%	0.592	63%	0.633	S	S	*	*	H	α-helix	trans	-76.1	-32.4	178.4	-155.8	142	0	0	0	111	D25 L31	D25-L27 PolarHBondContact O-N 3.17Å; D25-L27 WeakPolarHBondContact OD1-CA 3.47Å; D25-L27 VanDerWaalsContact OD1-CB 3.24Å; D25-L27 WeakPolarHBondContact OD1-CB 3.36Å; D25-L27 PolarHBondContact OD1-N 3.17Å; L27-L31 HydrophobicContact CD2-CD1 3.97Å; L27-L31 WeakPolarHBondContact O-CB 3.3Å; L27-L31 PolarHBondContact O-N 3.45Å
28	F	66.1	Low	57.9	Low	95 Å²	95	121.3 Å²	121.3	42%	0.417	61%	0.614	S	S	.	*	H	α-helix	trans	-68.7	-43.1	170	-169.3	-99.5	0	0	0	111.7	D25 L31 L32	D25-F28 HydrophobicContact CB-CB 4Å; D25-F28 PolarHBondContact O-N 3.1Å; F28-L31 PolarHBondContact O-N 3.25Å; F28-L32 HydrophobicContact CD1-CD1 4.4Å; F28-L32 HydrophobicContact CE1-CD1 3.76Å; F28-L32 HydrophobicContact CZ-CD1 4.25Å; F28-L32 WeakPolarHBondContact O-CB 3.42Å; F28-L32 PolarHBondContact O-N 2.87Å
29	V	70.8	Confident	58.5	Low	87 Å²	87	113.6 Å²	113.6	53%	0.527	59%	0.594	S	S	.	*	H	α-helix	trans	-63.7	-40.5	174.8	178.3	0	0	0	0	111.3	D25 L32 A33	D25-V29 PolarHBondContact O-N 3.32Å; D25-V29 VanDerWaalsContact O-N 3.1Å; V29-L32 PolarHBondContact O-N 2.88Å; V29-A33 WeakPolarHBondContact O-CB 3.24Å; V29-A33 PolarHBondContact O-N 2.83Å
30	L	69.8	Low	58.9	Low	109 Å²	109	105.1 Å²	105.1	57%	0.571	58%	0.577	S	S	*	*	H	α-helix	trans	-64.4	-41.6	175.2	-168	76.1	0	0	0	111.8	P26 A33 L34	P26-L30 VanDerWaalsContact O-CB 3.29Å; P26-L30 WeakPolarHBondContact O-CB 3.29Å; P26-L30 PolarHBondContact O-N 2.91Å; L30-A33 PolarHBondContact O-N 3.37Å; L30-L34 HydrophobicContact CG-CD1 4.21Å; L30-L34 VanDerWaalsContact O-CB 3.32Å; L30-L34 WeakPolarHBondContact O-CB 3.36Å; L30-L34 WeakPolarHBondContact O-CG 3.48Å; L30-L34 PolarHBondContact O-N 3.09Å
31	L	70.1	Confident	58.9	Low	86 Å²	86	100.6 Å²	100.6	45%	0.45	57%	0.567	S	S	.	*	H	α-helix	trans	-62.8	-40.6	173.6	-89.6	164.4	0	0	0	112.3	L27 F28 L34 Q35	L27-L31 HydrophobicContact CD2-CD1 3.97Å; L27-L31 WeakPolarHBondContact O-CB 3.3Å; L27-L31 PolarHBondContact O-N 3.45Å; F28-L31 PolarHBondContact O-N 3.25Å; L31-L34 PolarHBondContact O-N 2.82Å; L31-Q35 WeakPolarHBondContact O-CB 3.39Å; L31-Q35 WeakPolarHBondContact O-CG 3.42Å; L31-Q35 PolarHBondContact O-N 2.87Å
32	L	69.7	Low	58.6	Low	79 Å²	79	96.5 Å²	96.5	41%	0.414	56%	0.561	S	S	.	*	H	α-helix	trans	-71.1	-35.9	179	-143.3	148.3	0	0	0	111.2	F28 V29 Q35 L36	F28-L32 HydrophobicContact CD1-CD1 4.4Å; F28-L32 HydrophobicContact CE1-CD1 3.76Å; F28-L32 HydrophobicContact CZ-CD1 4.25Å; F28-L32 WeakPolarHBondContact O-CB 3.42Å; F28-L32 PolarHBondContact O-N 2.87Å; V29-L32 PolarHBondContact O-N 2.88Å; L32-Q35 PolarHBondContact O-N 3.31Å; L32-L36 HydrophobicContact CD2-CD1 3.89Å; L32-L36 HydrophobicContact CD2-CG 4.39Å; L32-L36 WeakPolarHBondContact O-CB 3.48Å; L32-L36 VanDerWaalsContact O-CG 3.3Å; L32-L36 WeakPolarHBondContact O-CG 3.32Å; L32-L36 PolarHBondContact O-N 2.91Å
33	A	67.1	Low	58.2	Low	42 Å²	42	96.8 Å²	96.8	35%	0.347	56%	0.563	S	S	.	*	H	α-helix	trans	-67.1	-40.1	170.1	0	0	0	0	0	112.5	V29 L30 L36 L37	V29-A33 WeakPolarHBondContact O-CB 3.24Å; V29-A33 PolarHBondContact O-N 2.83Å; L30-A33 PolarHBondContact O-N 3.37Å; A33-L36 PolarHBondContact O-N 3.5Å; A33-L37 WeakPolarHBondContact O-CB 3.25Å; A33-L37 WeakPolarHBondContact O-CG 3.32Å; A33-L37 PolarHBondContact O-N 3.35Å
34	L	66.1	Low	58	Low	98 Å²	98	99.7 Å²	99.7	51%	0.513	56%	0.562	S	S	.	*	H	α-helix	trans	-66.7	-36.4	173.4	-85.9	162.3	0	0	0	112.1	L30 L31 L37 A38	L30-L34 HydrophobicContact CG-CD1 4.21Å; L30-L34 VanDerWaalsContact O-CB 3.32Å; L30-L34 WeakPolarHBondContact O-CB 3.36Å; L30-L34 WeakPolarHBondContact O-CG 3.48Å; L30-L34 PolarHBondContact O-N 3.09Å; L31-L34 PolarHBondContact O-N 2.82Å; L34-L37 PolarHBondContact O-N 3.36Å; L34-A38 WeakPolarHBondContact O-CB 3.38Å; L34-A38 PolarHBondContact O-N 2.81Å
35	Q	62.6	Low	57.9	Low	127 Å²	127	98 Å²	98	59%	0.593	55%	0.554	S	S	*	*	H	α-helix	trans	-69.8	-38.5	172.2	-76.4	-175.6	-5	0	0	111.8	L31 L32 A38 V39	L31-Q35 WeakPolarHBondContact O-CB 3.39Å; L31-Q35 WeakPolarHBondContact O-CG 3.42Å; L31-Q35 PolarHBondContact O-N 2.87Å; L32-Q35 PolarHBondContact O-N 3.31Å; Q35-A38 PolarHBondContact O-N 3.42Å; Q35-V39 WeakPolarHBondContact O-CB 3.38Å; Q35-V39 VanDerWaalsContact O-CG2 3.25Å; Q35-V39 WeakPolarHBondContact O-CG2 3.01Å; Q35-V39 PolarHBondContact O-N 2.94Å
36	L	58.9	Low	58	Low	111 Å²	111	98.4 Å²	98.4	58%	0.581	55%	0.553	S	S	*	*	H	α-helix	trans	-65.4	-38.6	172.5	-77	165.2	0	0	0	112.1	L32 A33 A40	L32-L36 HydrophobicContact CD2-CD1 3.89Å; L32-L36 HydrophobicContact CD2-CG 4.39Å; L32-L36 WeakPolarHBondContact O-CB 3.48Å; L32-L36 VanDerWaalsContact O-CG 3.3Å; L32-L36 WeakPolarHBondContact O-CG 3.32Å; L32-L36 PolarHBondContact O-N 2.91Å; A33-L36 PolarHBondContact O-N 3.5Å; L36-A40 VanDerWaalsContact O-CB 3.25Å; L36-A40 WeakPolarHBondContact O-CB 2.98Å; L36-A40 PolarHBondContact O-N 2.83Å
37	L	57.2	Low	58.5	Low	121 Å²	121	96.9 Å²	96.9	63%	0.634	54%	0.542	S	S	*	.	H	α-helix	trans	-69.3	-37.8	173	-76.4	164.8	0	0	0	112.2	A33 L34 A40 G41	A33-L37 WeakPolarHBondContact O-CB 3.25Å; A33-L37 WeakPolarHBondContact O-CG 3.32Å; A33-L37 PolarHBondContact O-N 3.35Å; L34-L37 PolarHBondContact O-N 3.36Å; L37-A40 PolarHBondContact O-N 2.7Å; L37-G41 PolarHBondContact O-N 3.34Å
38	A	52	Low	59.5	Low	51 Å²	51	93.7 Å²	93.7	42%	0.421	53%	0.529	S	S	.	.	H	α-helix	trans	-66.9	-40.9	173.6	0	0	0	0	0	111.5	L34 Q35 G41 L42	L34-A38 WeakPolarHBondContact O-CB 3.38Å; L34-A38 PolarHBondContact O-N 2.81Å; Q35-A38 PolarHBondContact O-N 3.42Å; A38-G41 PolarHBondContact O-N 2.8Å; A38-L42 VanDerWaalsContact O-CB 3.26Å; A38-L42 WeakPolarHBondContact O-CB 3.43Å; A38-L42 WeakPolarHBondContact O-CG 3.47Å; A38-L42 PolarHBondContact O-N 2.81Å
39	V	52.2	Low	60.6	Low	86 Å²	86	89.7 Å²	89.7	52%	0.521	51%	0.513	S	S	.	.	H	α-helix	trans	-67	-39.8	173.6	169.1	0	0	0	0	111	Q35 G41 L42 V43	Q35-V39 WeakPolarHBondContact O-CB 3.38Å; Q35-V39 VanDerWaalsContact O-CG2 3.25Å; Q35-V39 WeakPolarHBondContact O-CG2 3.01Å; Q35-V39 PolarHBondContact O-N 2.94Å; V39-G41 VanDerWaalsContact C-N 3.3Å; V39-G41 PolarHBondContact O-N 2.03Å; V39-L42 PolarHBondContact O-N 3.46Å; V39-V43 HydrophobicContact CG1-CG2 4.28Å; V39-V43 WeakPolarHBondContact O-CB 3.35Å; V39-V43 WeakPolarHBondContact O-CG2 3.25Å; V39-V43 PolarHBondContact O-N 2.94Å
40	A	49.3	Very low	61.4	Low	69 Å²	69	91.4 Å²	91.4	57%	0.57	53%	0.528	S	S	*	.	H	α-helix	trans	-65.9	-30.8	172.9	0	0	0	0	0	112.9	L36 L37	L36-A40 VanDerWaalsContact O-CB 3.25Å; L36-A40 WeakPolarHBondContact O-CB 2.98Å; L36-A40 PolarHBondContact O-N 2.83Å; L37-A40 PolarHBondContact O-N 2.7Å
41	G	44.7	Very low	62.4	Low	59 Å²	59	88.9 Å²	88.9	61%	0.608	52%	0.517	S	S	*	.	H	α-helix	trans	-78.8	-30.8	173.2	0	0	0	0	0	114.3	L37 A38 V39	L37-G41 PolarHBondContact O-N 3.34Å; A38-G41 PolarHBondContact O-N 2.8Å; V39-G41 VanDerWaalsContact C-N 3.3Å; V39-G41 PolarHBondContact O-N 2.03Å
42	L	41.3	Very low	63.5	Low	145 Å²	145	85.4 Å²	85.4	76%	0.759	50%	0.5	S	S	*	.	H	α-helix	trans	-83.9	-32.7	178.1	-80.7	161.5	0	0	0	112.6	A38 V39 R44	A38-L42 VanDerWaalsContact O-CB 3.26Å; A38-L42 WeakPolarHBondContact O-CB 3.43Å; A38-L42 WeakPolarHBondContact O-CG 3.47Å; A38-L42 PolarHBondContact O-N 2.81Å; V39-L42 PolarHBondContact O-N 3.46Å; L42-R44 PolarHBondContact O-N 3.38Å
43	V	43.4	Very low	64.6	Low	98 Å²	98	84.8 Å²	84.8	59%	0.594	50%	0.502	S	S	*	.			trans	-77	69	163.1	-174.2	0	0	0	0	108.1	V39 A45	V39-V43 HydrophobicContact CG1-CG2 4.28Å; V39-V43 WeakPolarHBondContact O-CB 3.35Å; V39-V43 WeakPolarHBondContact O-CG2 3.25Å; V39-V43 PolarHBondContact O-N 2.94Å; V43-A45 PolarHBondContact O-N 3.26Å
44	R	44.4	Very low	65.9	Low	230 Å²	230	84.4 Å²	84.4	87%	0.868	50%	0.496	S	S	*	.			trans	-64.4	85.1	160.4	-168.6	178.6	-162.9	163.7	6	106.6	L42 Q46	L42-R44 PolarHBondContact O-N 3.38Å; R44-Q46 PolarHBondContact O-N 3.48Å
45	A	48.3	Very low	67	Low	65 Å²	65	81.8 Å²	81.8	54%	0.537	49%	0.486	S	S	.	.			trans	-46.6	125.9	-164.8	0	0	0	0	0	110.2	V43 T47	V43-A45 PolarHBondContact O-N 3.26Å; A45-T47 VanDerWaalsContact C-N 3.28Å; A45-T47 PolarHBondContact O-N 3.28Å
46	Q	59.7	Low	68	Low	92 Å²	92	81.7 Å²	81.7	43%	0.43	49%	0.49	S	S	.	.			trans	-75.5	88.2	-173.4	-161.2	167.7	5.5	0	0	108.1	R44 C48 F58 S76 N78	R44-Q46 PolarHBondContact O-N 3.48Å; Q46-C48 PolarHBondContact O-N 2.86Å; Q46-F58 HydrophobicContact CB-CD2 4.15Å; Q46-F58 HydrophobicContact CB-CE2 3.75Å; Q46-F58 HydrophobicContact CB-CZ 4.14Å; Q46-F58 HydrophobicContact CG-CD2 3.5Å; Q46-F58 HydrophobicContact CG-CE2 3.66Å; Q46-F58 HydrophobicContact CG-CG 4.08Å; Q46-F58 HydrophobicContact CG-CZ 4.34Å; Q46-F58 WeakPolarHBondContact O-CE1 3.21Å; Q46-F58 WeakPolarHBondContact O-CZ 3.45Å; Q46-S76 WeakPolarHBondContact CG-OG 3.35Å; Q46-S76 PolarHBondContact NE2-OG 2.91Å; Q46-N78 PolarHBondContact NE2-ND2 3.36Å; Q46-N78 VanDerWaalsContact NE2-ND2 3.18Å
47	T	71.6	Confident	69.1	Low	72 Å²	72	84.6 Å²	84.6	44%	0.442	50%	0.501	S	S	.	.	P	Polyproline II helix	trans	-69.4	129.6	-165.5	41.7	0	0	0	0	111.9	A45 G74	A45-T47 VanDerWaalsContact C-N 3.28Å; A45-T47 PolarHBondContact O-N 3.28Å; T47-G74 WeakPolarHBondContact CB-O 3.28Å; T47-G74 VanDerWaalsContact O-O 3.13Å; T47-G74 PolarHBondContact OG1-O 3.34Å
48	C	84.9	Confident	70.5	Confident	45 Å²	45	81.5 Å²	81.5	30%	0.304	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-89.7	132.2	147.3	-167.4	0	0	0	0	107.5	Q46 S50 C54 F58	Q46-C48 PolarHBondContact O-N 2.86Å; C48-S50 PolarHBondContact O-N 2.86Å; C48-C54 WeakPolarHBondContact CA-SG 3.39Å; C48-C54 HydrophobicContact CB-CB 3.71Å; C48-C54 WeakPolarHBondContact CB-SG 3.43Å; C48-C54 WeakPolarHBondContact SG-CB 3.38Å; C48-C54 PolarHBondContact SG-N 3.01Å; C48-C54 VanDerWaalsContact SG-N 3.38Å; C48-C54 CovalentContact SG-SG 2.03Å; C48-C54 PolarHBondContact SG-SG 2.04Å; C48-F58 HydrophobicContact CB-CD1 4.39Å; C48-F58 HydrophobicContact CB-CE1 4.17Å
49	P	88.1	Confident	72.4	Confident	12 Å²	12	80.6 Å²	80.6	8%	0.078	47%	0.473	C	S	.	.	P	Polyproline II helix	trans	-58.8	133.8	169.2	-19.7	30.9	0	0	0	109.5	V51 C52 P72 D73 I75	P49-V51 HydrophobicContact CB-CG2 4.23Å; P49-V51 PolarHBondContact O-N 3.41Å; P49-V51 VanDerWaalsContact O-N 3.09Å; P49-C52 HydrophobicContact CB-CB 4.23Å; P49-C52 HydrophobicContact CG-CB 4.44Å; P49-C52 PolarHBondContact O-N 2.78Å; P49-P72 HydrophobicContact CB-CB 4.38Å; P49-D73 WeakPolarHBondContact CG-O 3.3Å; P49-I75 HydrophobicContact CG-CG1 4.01Å
50	S	87.7	Confident	74.4	Confident	123 Å²	123	80.3 Å²	80.3	86%	0.86	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-23.6	-175.9	54.6	0	0	0	0	114	C48 C52	C48-S50 PolarHBondContact O-N 2.86Å; S50-C52 VanDerWaalsContact C-N 3.32Å
51	V	91	Very high	76.6	Confident	56 Å²	56	77 Å²	77	34%	0.339	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-6.3	174.1	-66.6	0	0	0	0	113.8	P49 R66 L68 P72	P49-V51 HydrophobicContact CB-CG2 4.23Å; P49-V51 PolarHBondContact O-N 3.41Å; P49-V51 VanDerWaalsContact O-N 3.09Å; V51-R66 WeakPolarHBondContact O-CD 3.42Å; V51-R66 VanDerWaalsContact O-CG 3.3Å; V51-R66 WeakPolarHBondContact O-CG 3.22Å; V51-R66 PolarHBondContact O-NE 3.44Å; V51-R66 PolarHBondContact O-NH1 2.74Å; V51-L68 HydrophobicContact CB-CD2 4.24Å; V51-L68 HydrophobicContact CG2-CD2 3.99Å; V51-P72 HydrophobicContact CG2-CB 4.03Å
52	C	93.5	Very high	79.1	Confident	13 Å²	13	76.6 Å²	76.6	9%	0.088	42%	0.421	C	S	.	.	S	Bend	trans	-118.7	169.6	-175.9	-58.8	0	0	0	0	112.3	P49 S50 V61 I62 C63	P49-C52 HydrophobicContact CB-CB 4.23Å; P49-C52 HydrophobicContact CG-CB 4.44Å; P49-C52 PolarHBondContact O-N 2.78Å; S50-C52 VanDerWaalsContact C-N 3.32Å; C52-V61 HydrophobicContact CB-CG1 4.12Å; C52-I62 CarbonylContact C-O 3.59Å; C52-I62 WeakPolarHBondContact CA-O 3.44Å; C52-C63 HydrophobicContact CB-CB 4.11Å; C52-C63 WeakPolarHBondContact CB-SG 3.08Å; C52-C63 WeakPolarHBondContact SG-CB 3.08Å; C52-C63 CovalentContact SG-SG 2.04Å; C52-C63 PolarHBondContact SG-SG 3.44Å
53	S	93.1	Very high	81.7	Confident	66 Å²	66	69.7 Å²	69.7	46%	0.462	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	126.8	170.6	-177.3	0	0	0	0	109.3	I62	S53-I62 PolarHBondContact N-O 3.29Å; S53-I62 PolarHBondContact O-N 3.09Å
54	C	92.9	Very high	84.2	Confident	33 Å²	33	67 Å²	67	22%	0.223	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	142	-177	-55.2	0	0	0	0	111	C48 F58 K60 V61	C48-C54 WeakPolarHBondContact CA-SG 3.39Å; C48-C54 HydrophobicContact CB-CB 3.71Å; C48-C54 WeakPolarHBondContact CB-SG 3.43Å; C48-C54 WeakPolarHBondContact SG-CB 3.38Å; C48-C54 PolarHBondContact SG-N 3.01Å; C48-C54 VanDerWaalsContact SG-N 3.38Å; C48-C54 CovalentContact SG-SG 2.03Å; C48-C54 PolarHBondContact SG-SG 2.04Å; C54-F58 HydrophobicContact CB-CD1 3.84Å; C54-F58 HydrophobicContact CB-CE1 4.42Å; C54-K60 CarbonylContact C-O 3.39Å; C54-K60 WeakPolarHBondContact CA-O 3.45Å; C54-V61 HydrophobicContact CB-CG2 4.41Å
55	S	90.9	Very high	86.6	Confident	43 Å²	43	65.2 Å²	65.2	30%	0.301	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	167.7	-176.3	52.9	0	0	0	0	111.4	F58 S59 K60	S55-F58 PolarHBondContact O-N 3.42Å; S55-S59 PolarHBondContact O-N 3.36Å; S55-K60 PolarHBondContact N-O 2.85Å; S55-K60 PolarHBondContact O-N 3.42Å; S55-K60 VanDerWaalsContact O-N 3.14Å; S55-K60 WeakPolarHBondContact OG-CB 3.4Å; S55-K60 PolarHBondContact OG-O 2.8Å
56	N	81.8	Confident	88.8	Confident	126 Å²	126	68.3 Å²	68.3	67%	0.674	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	61.9	178.9	-62	-0.4	0	0	0	113.2	F58 S59	N56-F58 VanDerWaalsContact C-N 3.25Å; N56-F58 PolarHBondContact O-N 3.34Å; N56-S59 WeakPolarHBondContact O-CB 3.37Å; N56-S59 PolarHBondContact O-N 2.8Å
57	Q	83.8	Confident	90.5	Very high	171 Å²	171	65.8 Å²	65.8	80%	0.799	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	41.6	-178.3	-57.5	178.1	-4.6	0	0	112.9	S59	Q57-S59 PolarHBondContact O-N 2.8Å
58	F	85.1	Confident	91.7	Very high	56 Å²	56	63.5 Å²	63.5	25%	0.246	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.6	12.4	-175.7	-45.7	-89.6	0	0	0	115.2	Q46 C48 C54 S55 N56 K60 T79	Q46-F58 HydrophobicContact CB-CD2 4.15Å; Q46-F58 HydrophobicContact CB-CE2 3.75Å; Q46-F58 HydrophobicContact CB-CZ 4.14Å; Q46-F58 HydrophobicContact CG-CD2 3.5Å; Q46-F58 HydrophobicContact CG-CE2 3.66Å; Q46-F58 HydrophobicContact CG-CG 4.08Å; Q46-F58 HydrophobicContact CG-CZ 4.34Å; Q46-F58 WeakPolarHBondContact O-CE1 3.21Å; Q46-F58 WeakPolarHBondContact O-CZ 3.45Å; C48-F58 HydrophobicContact CB-CD1 4.39Å; C48-F58 HydrophobicContact CB-CE1 4.17Å; C54-F58 HydrophobicContact CB-CD1 3.84Å; C54-F58 HydrophobicContact CB-CE1 4.42Å; S55-F58 PolarHBondContact O-N 3.42Å; N56-F58 VanDerWaalsContact C-N 3.25Å; N56-F58 PolarHBondContact O-N 3.34Å; F58-K60 VanDerWaalsContact C-N 3.33Å; F58-T79 WeakPolarHBondContact O-CA 3.26Å; F58-T79 PolarHBondContact O-OG1 2.81Å
59	S	91.8	Very high	92.2	Very high	33 Å²	33	70.4 Å²	70.4	23%	0.231	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-30.1	175.1	-174.8	0	0	0	0	113	S55 N56 Q57 R80 Y81	S55-S59 PolarHBondContact O-N 3.36Å; N56-S59 WeakPolarHBondContact O-CB 3.37Å; N56-S59 PolarHBondContact O-N 2.8Å; Q57-S59 PolarHBondContact O-N 2.8Å; S59-R80 PolarHBondContact O-N 2.83Å; S59-R80 WeakPolarHBondContact OG-CG 3.31Å; S59-Y81 PolarHBondContact O-N 3.33Å
60	K	95.5	Very high	92.5	Very high	80 Å²	80	73.5 Å²	73.5	35%	0.348	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	115.8	179.6	-170	-175.7	-171.3	177	0	110.7	C54 S55 F58 I62 Y81	C54-K60 CarbonylContact C-O 3.39Å; C54-K60 WeakPolarHBondContact CA-O 3.45Å; S55-K60 PolarHBondContact N-O 2.85Å; S55-K60 PolarHBondContact O-N 3.42Å; S55-K60 VanDerWaalsContact O-N 3.14Å; S55-K60 WeakPolarHBondContact OG-CB 3.4Å; S55-K60 PolarHBondContact OG-O 2.8Å; F58-K60 VanDerWaalsContact C-N 3.33Å; K60-I62 HydrophobicContact CD-CD1 4.42Å; K60-I62 HydrophobicContact CG-CG1 4.45Å; K60-Y81 HydrophobicContact CD-CD1 4.17Å; K60-Y81 HydrophobicContact CD-CE1 4.37Å; K60-Y81 VanDerWaalsContact CE-CE1 3.41Å; K60-Y81 HydrophobicContact CG-CD1 3.41Å; K60-Y81 VanDerWaalsContact CG-CD1 3.41Å; K60-Y81 HydrophobicContact CG-CE1 3.99Å; K60-Y81 HydrophobicContact CG-CG 4.08Å
61	V	95.9	Very high	92.8	Very high	0 Å²	0	68.8 Å²	68.8	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	128.4	-178.5	-179.5	0	0	0	0	110.1	C52 C54 T79 Y81 L82 N83	C52-V61 HydrophobicContact CB-CG1 4.12Å; C54-V61 HydrophobicContact CB-CG2 4.41Å; V61-T79 HydrophobicContact CB-CG2 4.04Å; V61-T79 HydrophobicContact CG2-CG2 3.71Å; V61-T79 WeakPolarHBondContact CG2-OG1 3.16Å; V61-Y81 PolarHBondContact N-O 3.37Å; V61-L82 HydrophobicContact CB-CD1 3.96Å; V61-L82 HydrophobicContact CG1-CD1 3.82Å; V61-N83 PolarHBondContact O-N 3.12Å
62	I	96.7	Very high	92.9	Very high	50 Å²	50	67 Å²	67	26%	0.256	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	119.4	-174	-51.1	176.2	0	0	0	109.4	C52 S53 K60 T64 Y81	C52-I62 CarbonylContact C-O 3.59Å; C52-I62 WeakPolarHBondContact CA-O 3.44Å; S53-I62 PolarHBondContact N-O 3.29Å; S53-I62 PolarHBondContact O-N 3.09Å; K60-I62 HydrophobicContact CD-CD1 4.42Å; K60-I62 HydrophobicContact CG-CG1 4.45Å; I62-T64 HydrophobicContact CG2-CG2 4.19Å; I62-Y81 HydrophobicContact CG1-CE1 4.39Å
63	C	95.9	Very high	92.7	Very high	0 Å²	0	73.7 Å²	73.7	0%	0	37%	0.369	C	S	.	.			trans	-126.7	26.3	-173.9	-54.3	0	0	0	0	111.9	C52 R66 L68 N83 L84 N87	C52-C63 HydrophobicContact CB-CB 4.11Å; C52-C63 WeakPolarHBondContact CB-SG 3.08Å; C52-C63 WeakPolarHBondContact SG-CB 3.08Å; C52-C63 CovalentContact SG-SG 2.04Å; C52-C63 PolarHBondContact SG-SG 3.44Å; C63-R66 WeakPolarHBondContact O-CG 3.41Å; C63-L68 HydrophobicContact CB-CD1 4.01Å; C63-N83 WeakPolarHBondContact CB-O 3.02Å; C63-N83 PolarHBondContact N-O 3.19Å; C63-L84 HydrophobicContact CB-CD2 3.66Å; C63-L84 HydrophobicContact CB-CG 4.47Å; C63-N87 PolarHBondContact O-ND2 2.91Å
64	T	96.2	Very high	92.5	Very high	42 Å²	42	72.4 Å²	72.4	26%	0.258	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	146.5	-171.7	50.9	0	0	0	0	113.8	I62 R66 N83 Q85	I62-T64 HydrophobicContact CG2-CG2 4.19Å; T64-R66 VanDerWaalsContact C-N 3.3Å; T64-R66 WeakPolarHBondContact O-CG 3.33Å; T64-R66 PolarHBondContact O-N 2.79Å; T64-N83 HydrophobicContact CG2-CB 4.47Å; T64-N83 VanDerWaalsContact CG2-CG 3.48Å; T64-N83 WeakPolarHBondContact CG2-OD1 3.16Å; T64-Q85 VanDerWaalsContact CA-O 3.31Å; T64-Q85 WeakPolarHBondContact CA-O 3.26Å; T64-Q85 HydrophobicContact CG2-CB 4.06Å
65	R	94.9	Very high	92.4	Very high	191 Å²	191	72 Å²	72	72%	0.721	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.6	36.2	177	-57.5	179.4	179.3	166.7	3.1	114.1	Q85 E86	R65-Q85 PolarHBondContact N-O 3.07Å; R65-E86 VanDerWaalsContact CA-O 3.28Å; R65-E86 WeakPolarHBondContact CA-O 3.36Å; R65-E86 HydrophobicContact CG-CB 3.99Å; R65-E86 IonicContact CZ-OE2 3.19Å; R65-E86 PolarHBondContact N-O 2.9Å; R65-E86 IonicContact NE-OE2 2.7Å; R65-E86 PolarHBondContact NE-OE2 3.39Å; R65-E86 IonicContact NH2-OE1 3.91Å; R65-E86 IonicContact NH2-OE2 2.79Å; R65-E86 PolarHBondContact NH2-OE2 2.64Å
66	R	94.8	Very high	92.4	Very high	130 Å²	130	70.3 Å²	70.3	49%	0.491	35%	0.35	S	S	.	.	S	Bend	trans	-104	-1.9	-176.7	-62.4	-59.9	-178	119.7	-0.2	114.1	V51 C63 T64 L68 N87	V51-R66 WeakPolarHBondContact O-CD 3.42Å; V51-R66 VanDerWaalsContact O-CG 3.3Å; V51-R66 WeakPolarHBondContact O-CG 3.22Å; V51-R66 PolarHBondContact O-NE 3.44Å; V51-R66 PolarHBondContact O-NH1 2.74Å; C63-R66 WeakPolarHBondContact O-CG 3.41Å; T64-R66 VanDerWaalsContact C-N 3.3Å; T64-R66 WeakPolarHBondContact O-CG 3.33Å; T64-R66 PolarHBondContact O-N 2.79Å; R66-L68 HydrophobicContact CB-CD1 4.2Å; R66-L68 HydrophobicContact CB-CD2 4.2Å; R66-L68 HydrophobicContact CB-CG 3.82Å; R66-L68 PolarHBondContact O-N 2.86Å; R66-N87 WeakPolarHBondContact CA-OD1 3.47Å; R66-N87 PolarHBondContact N-OD1 2.84Å
67	G	95.3	Very high	92.9	Very high	39 Å²	39	67.8 Å²	67.8	40%	0.402	34%	0.339	S	S	.	.			trans	69.5	18.9	179.8	0	0	0	0	0	114.1	R69 N87	G67-R69 PolarHBondContact O-N 3.49Å; G67-N87 PolarHBondContact N-OD1 3.19Å
68	L	95.6	Very high	93.3	Very high	25 Å²	25	62.9 Å²	62.9	13%	0.131	32%	0.318	C	S	.	.			trans	-62.5	131.8	-175	-58.4	172.7	0	0	0	110.8	V51 C63 R66 P72 L84 N87 L88 I89	V51-L68 HydrophobicContact CB-CD2 4.24Å; V51-L68 HydrophobicContact CG2-CD2 3.99Å; C63-L68 HydrophobicContact CB-CD1 4.01Å; R66-L68 HydrophobicContact CB-CD1 4.2Å; R66-L68 HydrophobicContact CB-CD2 4.2Å; R66-L68 HydrophobicContact CB-CG 3.82Å; R66-L68 PolarHBondContact O-N 2.86Å; L68-P72 HydrophobicContact CD1-CG 4.15Å; L68-L84 HydrophobicContact CD1-CD2 3.97Å; L68-N87 HydrophobicContact CB-CB 4.27Å; L68-N87 PolarHBondContact N-OD1 2.94Å; L68-N87 VanDerWaalsContact N-OD1 3.09Å; L68-L88 CarbonylContact O-C 3.57Å; L68-L88 VanDerWaalsContact O-CA 3.22Å; L68-L88 WeakPolarHBondContact O-CA 3.44Å; L68-L88 WeakPolarHBondContact O-CB 3.44Å; L68-L88 PolarHBondContact O-N 3.28Å; L68-I89 HydrophobicContact CB-CG1 4.4Å; L68-I89 WeakPolarHBondContact O-CG1 3.09Å; L68-I89 PolarHBondContact O-N 2.85Å
69	R	95.4	Very high	93.8	Very high	189 Å²	189	60.2 Å²	60.2	71%	0.713	31%	0.307	S	S	*	.	S	Bend	trans	-95	-16.8	177.3	-64.4	-179.5	178.9	-179.6	-1	113.4	G67 L88 I89	G67-R69 PolarHBondContact O-N 3.49Å; R69-L88 HydrophobicContact CG-CB 4.39Å; R69-I89 WeakPolarHBondContact O-CA 3.36Å
70	D	94.4	Very high	94	Very high	77 Å²	77	64.6 Å²	64.6	41%	0.412	32%	0.318	S	S	.	.	S	Bend	trans	-138.5	164.6	-177.2	-65.3	-99.3	0	0	0	108.7	K93	D70-K93 WeakPolarHBondContact OD1-CE 3.27Å; D70-K93 IonicContact OD1-NZ 2.64Å; D70-K93 PolarHBondContact OD1-NZ 2.79Å
71	V	94.7	Very high	94.1	Very high	25 Å²	25	63.3 Å²	63.3	15%	0.152	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-66.3	132	169.4	179.4	0	0	0	0	108.8	I75 L84 F97	V71-I75 HydrophobicContact CG1-CD1 4.27Å; V71-L84 HydrophobicContact CG1-CD1 4.32Å; V71-F97 HydrophobicContact CG1-CD1 4.37Å; V71-F97 HydrophobicContact CG1-CE1 3.64Å; V71-F97 HydrophobicContact CG1-CZ 4.19Å; V71-F97 HydrophobicContact CG2-CE1 4.15Å; V71-F97 HydrophobicContact CG2-CZ 3.83Å
72	P	92.6	Very high	94.2	Very high	17 Å²	17	63.3 Å²	63.3	11%	0.11	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-75.8	134.6	-177.2	29.5	-33.2	0	0	0	111.9	P49 V51 L68 I75 L84	P49-P72 HydrophobicContact CB-CB 4.38Å; V51-P72 HydrophobicContact CG2-CB 4.03Å; L68-P72 HydrophobicContact CD1-CG 4.15Å; P72-I75 HydrophobicContact CG-CD1 4.35Å; P72-I75 WeakPolarHBondContact O-CD1 3.2Å; P72-I75 WeakPolarHBondContact O-CG1 3.11Å; P72-L84 VanDerWaalsContact CD-CD2 3.48Å; P72-L84 HydrophobicContact CG-CD2 3.91Å
73	D	89.3	Confident	94.2	Very high	155 Å²	155	61.4 Å²	61.4	83%	0.829	30%	0.302	S	S	*	.	S	Bend	trans	-67.8	162.1	174	-70.6	-62.1	0	0	0	113.1	P49	P49-D73 WeakPolarHBondContact CG-O 3.3Å
74	G	88.1	Confident	94.3	Very high	38 Å²	38	61.4 Å²	61.4	39%	0.392	30%	0.302	S	S	.	.			trans	81.4	15.6	172.6	0	0	0	0	0	115.6	T47	T47-G74 WeakPolarHBondContact CB-O 3.28Å; T47-G74 VanDerWaalsContact O-O 3.13Å; T47-G74 PolarHBondContact OG1-O 3.34Å
75	I	92	Very high	94.3	Very high	25 Å²	25	61.1 Å²	61.1	13%	0.128	30%	0.298	C	S	.	.			trans	-65.1	133.3	174	-56.2	171.5	0	0	0	110.2	P49 V71 P72 T79 L82 L100	P49-I75 HydrophobicContact CG-CG1 4.01Å; V71-I75 HydrophobicContact CG1-CD1 4.27Å; P72-I75 HydrophobicContact CG-CD1 4.35Å; P72-I75 WeakPolarHBondContact O-CD1 3.2Å; P72-I75 WeakPolarHBondContact O-CG1 3.11Å; I75-T79 HydrophobicContact CG2-CG2 4.4Å; I75-L82 HydrophobicContact CD1-CD1 4.06Å; I75-L82 HydrophobicContact CD1-CD2 3.71Å; I75-L100 HydrophobicContact CB-CD2 4.24Å; I75-L100 HydrophobicContact CG2-CD1 3.98Å; I75-L100 HydrophobicContact CG2-CD2 3.79Å
76	S	91.5	Very high	94.4	Very high	8 Å²	8	55 Å²	55	6%	0.056	28%	0.277	C	S	.	.			trans	-67.9	140.4	-176.4	-165.9	0	0	0	0	113.2	Q46 N78 T79 L100	Q46-S76 WeakPolarHBondContact CG-OG 3.35Å; Q46-S76 PolarHBondContact NE2-OG 2.91Å; S76-N78 PolarHBondContact O-N 2.86Å; S76-T79 WeakPolarHBondContact O-CB 3.25Å; S76-T79 PolarHBondContact O-N 2.82Å; S76-T79 PolarHBondContact O-OG1 2.82Å; S76-L100 WeakPolarHBondContact O-CD2 3.36Å
77	T	91.5	Very high	94.6	Very high	72 Å²	72	49 Å²	49	44%	0.442	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-14.1	175.8	51.2	0	0	0	0	114.5	H99 H102	T77-H99 HydrophobicContact CG2-CB 4.32Å; T77-H102 PolarHBondContact O-ND1 2.98Å
78	N	91.7	Very high	94.7	Very high	69 Å²	69	50.8 Å²	50.8	37%	0.369	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-4.1	178.7	-67.3	14.9	0	0	0	112.9	Q46 S76 R80	Q46-N78 PolarHBondContact NE2-ND2 3.36Å; Q46-N78 VanDerWaalsContact NE2-ND2 3.18Å; S76-N78 PolarHBondContact O-N 2.86Å; N78-R80 PolarHBondContact O-N 3.23Å
79	T	95	Very high	94.8	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.248	C	C	.	.			trans	-63.4	122.2	-177.9	-52.1	0	0	0	0	111.2	F58 V61 I75 S76 Y81 L82 H102 L103	F58-T79 WeakPolarHBondContact O-CA 3.26Å; F58-T79 PolarHBondContact O-OG1 2.81Å; V61-T79 HydrophobicContact CB-CG2 4.04Å; V61-T79 HydrophobicContact CG2-CG2 3.71Å; V61-T79 WeakPolarHBondContact CG2-OG1 3.16Å; I75-T79 HydrophobicContact CG2-CG2 4.4Å; S76-T79 WeakPolarHBondContact O-CB 3.25Å; S76-T79 PolarHBondContact O-N 2.82Å; S76-T79 PolarHBondContact O-OG1 2.82Å; T79-Y81 VanDerWaalsContact CG2-O 3.23Å; T79-Y81 WeakPolarHBondContact CG2-O 3.28Å; T79-L82 HydrophobicContact CG2-CB 4.13Å; T79-H102 CarbonylContact O-C 3.32Å; T79-L103 HydrophobicContact CG2-CD1 3.9Å; T79-L103 WeakPolarHBondContact O-CA 3.19Å; T79-L103 PolarHBondContact O-N 2.69Å
80	R	96.6	Very high	94.9	Very high	125 Å²	125	44.6 Å²	44.6	47%	0.472	23%	0.233	S	C	.	.	S	Bend	trans	-100.4	-31.5	171.8	-63.8	-174.9	177.5	-130.3	-3.2	112.8	S59 N78 H102 E104 I105	S59-R80 PolarHBondContact O-N 2.83Å; S59-R80 WeakPolarHBondContact OG-CG 3.31Å; N78-R80 PolarHBondContact O-N 3.23Å; R80-H102 WeakPolarHBondContact CA-O 3.4Å; R80-E104 WeakPolarHBondContact CD-OE1 3.19Å; R80-E104 IonicContact CZ-OE1 2.73Å; R80-E104 IonicContact NE-OE1 3.15Å; R80-E104 IonicContact NH1-OE1 3.78Å; R80-E104 PolarHBondContact NH1-OE1 3.42Å; R80-E104 IonicContact NH1-OE2 3.9Å; R80-E104 PolarHBondContact O-N 2.89Å; R80-I105 PolarHBondContact O-N 2.63Å
81	Y	97.8	Very high	95	Very high	52 Å²	52	42.5 Å²	42.5	20%	0.204	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	121.8	177.6	172.6	-81.2	0	0	0	109.5	S59 K60 V61 I62 T79 N83 I105 Q107	S59-Y81 PolarHBondContact O-N 3.33Å; K60-Y81 HydrophobicContact CD-CD1 4.17Å; K60-Y81 HydrophobicContact CD-CE1 4.37Å; K60-Y81 VanDerWaalsContact CE-CE1 3.41Å; K60-Y81 HydrophobicContact CG-CD1 3.41Å; K60-Y81 VanDerWaalsContact CG-CD1 3.41Å; K60-Y81 HydrophobicContact CG-CE1 3.99Å; K60-Y81 HydrophobicContact CG-CG 4.08Å; V61-Y81 PolarHBondContact N-O 3.37Å; I62-Y81 HydrophobicContact CG1-CE1 4.39Å; T79-Y81 VanDerWaalsContact CG2-O 3.23Å; T79-Y81 WeakPolarHBondContact CG2-O 3.28Å; Y81-N83 HydrophobicContact CD1-CB 4.48Å; Y81-N83 HydrophobicContact CE1-CB 3.62Å; Y81-N83 PolarHBondContact OH-ND2 2.93Å; Y81-I105 HydrophobicContact CD2-CB 3.98Å; Y81-I105 HydrophobicContact CD2-CD1 4.28Å; Y81-I105 HydrophobicContact CD2-CG2 3.9Å; Y81-I105 HydrophobicContact CE2-CG2 4.2Å; Y81-Q107 PolarHBondContact OH-OE1 3.4Å
82	L	97.6	Very high	95.1	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	117.6	175.7	176.9	58.7	0	0	0	109.5	V61 I75 T79 L84 F97 L100 L103 I105 L106 Q107	V61-L82 HydrophobicContact CB-CD1 3.96Å; V61-L82 HydrophobicContact CG1-CD1 3.82Å; I75-L82 HydrophobicContact CD1-CD1 4.06Å; I75-L82 HydrophobicContact CD1-CD2 3.71Å; T79-L82 HydrophobicContact CG2-CB 4.13Å; L82-L84 HydrophobicContact CD1-CD1 4.36Å; L82-L84 HydrophobicContact CD1-CG 4.24Å; L82-L84 HydrophobicContact CD2-CD1 3.93Å; L82-L84 HydrophobicContact CG-CD1 4.01Å; L82-L84 HydrophobicContact CG-CG 4.24Å; L82-F97 HydrophobicContact CD2-CD1 4.21Å; L82-F97 HydrophobicContact CD2-CE1 3.97Å; L82-L100 HydrophobicContact CD2-CD1 4.03Å; L82-L103 HydrophobicContact CB-CD1 3.67Å; L82-I105 PolarHBondContact N-O 3.13Å; L82-L106 HydrophobicContact CB-CD1 4.21Å; L82-L106 HydrophobicContact CD2-CD1 3.91Å; L82-L106 HydrophobicContact CG-CD1 4.11Å; L82-Q107 PolarHBondContact O-N 2.79Å
83	N	97.8	Very high	95.2	Very high	10 Å²	10	45.3 Å²	45.3	5%	0.053	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	116.5	175.9	-176.2	-20.7	0	0	0	111.2	V61 C63 T64 Y81 Q85 Q107	V61-N83 PolarHBondContact O-N 3.12Å; C63-N83 WeakPolarHBondContact CB-O 3.02Å; C63-N83 PolarHBondContact N-O 3.19Å; T64-N83 HydrophobicContact CG2-CB 4.47Å; T64-N83 VanDerWaalsContact CG2-CG 3.48Å; T64-N83 WeakPolarHBondContact CG2-OD1 3.16Å; Y81-N83 HydrophobicContact CD1-CB 4.48Å; Y81-N83 HydrophobicContact CE1-CB 3.62Å; Y81-N83 PolarHBondContact OH-ND2 2.93Å; N83-Q85 PolarHBondContact ND2-OE1 3.41Å; N83-Q85 WeakPolarHBondContact OD1-CB 3.43Å; N83-Q85 WeakPolarHBondContact OD1-CG 3.48Å; N83-Q85 PolarHBondContact OD1-N 3.48Å; N83-Q85 PolarHBondContact OD1-OE1 3.21Å; N83-Q107 HydrophobicContact CB-CB 4.36Å; N83-Q107 VanDerWaalsContact CG-OE1 3.29Å; N83-Q107 PolarHBondContact ND2-OE1 3.42Å
84	L	97.3	Very high	95.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.213	C	C	.	.			trans	-116.4	17.9	177.9	-73.3	159.6	0	0	0	112.1	C63 L68 V71 P72 L82 N87 I89 F97 Q107 L108 N111	C63-L84 HydrophobicContact CB-CD2 3.66Å; C63-L84 HydrophobicContact CB-CG 4.47Å; L68-L84 HydrophobicContact CD1-CD2 3.97Å; V71-L84 HydrophobicContact CG1-CD1 4.32Å; P72-L84 VanDerWaalsContact CD-CD2 3.48Å; P72-L84 HydrophobicContact CG-CD2 3.91Å; L82-L84 HydrophobicContact CD1-CD1 4.36Å; L82-L84 HydrophobicContact CD1-CG 4.24Å; L82-L84 HydrophobicContact CD2-CD1 3.93Å; L82-L84 HydrophobicContact CG-CD1 4.01Å; L82-L84 HydrophobicContact CG-CG 4.24Å; L84-N87 PolarHBondContact O-ND2 3.26Å; L84-I89 HydrophobicContact CB-CD1 4.29Å; L84-I89 HydrophobicContact CD2-CD1 4.35Å; L84-F97 HydrophobicContact CD1-CE1 4.34Å; L84-Q107 PolarHBondContact N-O 2.95Å; L84-L108 HydrophobicContact CB-CD2 4.03Å; L84-L108 HydrophobicContact CD1-CD2 3.78Å; L84-N111 PolarHBondContact O-ND2 2.85Å
85	Q	97.3	Very high	95.7	Very high	37 Å²	37	42 Å²	42	17%	0.173	21%	0.207	C	C	.	.			trans	-63.3	155.2	-176.4	-65.3	168.1	-25.4	0	0	113.6	T64 R65 N83 N87 Q107 S109 E131	T64-Q85 VanDerWaalsContact CA-O 3.31Å; T64-Q85 WeakPolarHBondContact CA-O 3.26Å; T64-Q85 HydrophobicContact CG2-CB 4.06Å; R65-Q85 PolarHBondContact N-O 3.07Å; N83-Q85 PolarHBondContact ND2-OE1 3.41Å; N83-Q85 WeakPolarHBondContact OD1-CB 3.43Å; N83-Q85 WeakPolarHBondContact OD1-CG 3.48Å; N83-Q85 PolarHBondContact OD1-N 3.48Å; N83-Q85 PolarHBondContact OD1-OE1 3.21Å; Q85-N87 PolarHBondContact O-ND2 3.26Å; Q85-Q107 HydrophobicContact CG-CB 3.85Å; Q85-S109 VanDerWaalsContact CA-O 3.28Å; Q85-S109 WeakPolarHBondContact CA-O 3.48Å; Q85-S109 WeakPolarHBondContact CG-OG 3.44Å; Q85-S109 PolarHBondContact NE2-OG 2.92Å; Q85-S109 VanDerWaalsContact NE2-OG 3.17Å; Q85-E131 PolarHBondContact NE2-OE2 3.03Å
86	E	97.1	Very high	95.8	Very high	63 Å²	63	42.8 Å²	42.8	29%	0.294	22%	0.215	S	C	.	.	S	Bend	trans	57.8	53.8	175.5	-60.9	-177.6	175.6	0	0	111.7	R65 S109 K110	R65-E86 VanDerWaalsContact CA-O 3.28Å; R65-E86 WeakPolarHBondContact CA-O 3.36Å; R65-E86 HydrophobicContact CG-CB 3.99Å; R65-E86 IonicContact CZ-OE2 3.19Å; R65-E86 PolarHBondContact N-O 2.9Å; R65-E86 IonicContact NE-OE2 2.7Å; R65-E86 PolarHBondContact NE-OE2 3.39Å; R65-E86 IonicContact NH2-OE1 3.91Å; R65-E86 IonicContact NH2-OE2 2.79Å; R65-E86 PolarHBondContact NH2-OE2 2.64Å; E86-S109 PolarHBondContact N-O 2.96Å; E86-K110 VanDerWaalsContact CA-O 3.25Å; E86-K110 WeakPolarHBondContact CA-O 3.4Å; E86-K110 HydrophobicContact CG-CB 3.82Å; E86-K110 HydrophobicContact CG-CD 3.51Å; E86-K110 HydrophobicContact CG-CG 4.35Å; E86-K110 PolarHBondContact N-O 3.13Å; E86-K110 WeakPolarHBondContact OE1-CD 3.23Å; E86-K110 IonicContact OE1-NZ 2.74Å; E86-K110 PolarHBondContact OE1-NZ 3.02Å
87	N	97.7	Very high	96	Very high	4 Å²	4	42.5 Å²	42.5	2%	0.021	21%	0.213	C	C	.	.	S	Bend	trans	-131.8	-173.8	178.5	-80.4	-61.6	0	0	0	111.2	C63 R66 G67 L68 L84 Q85 I89 K110 N111 H112	C63-N87 PolarHBondContact O-ND2 2.91Å; R66-N87 WeakPolarHBondContact CA-OD1 3.47Å; R66-N87 PolarHBondContact N-OD1 2.84Å; G67-N87 PolarHBondContact N-OD1 3.19Å; L68-N87 HydrophobicContact CB-CB 4.27Å; L68-N87 PolarHBondContact N-OD1 2.94Å; L68-N87 VanDerWaalsContact N-OD1 3.09Å; L84-N87 PolarHBondContact O-ND2 3.26Å; Q85-N87 PolarHBondContact O-ND2 3.26Å; N87-I89 HydrophobicContact CB-CG1 4.34Å; N87-K110 PolarHBondContact N-O 3.21Å; N87-N111 WeakPolarHBondContact CA-OD1 3.15Å; N87-N111 WeakPolarHBondContact CB-OD1 3.3Å; N87-N111 PolarHBondContact O-OD1 3.17Å; N87-H112 PolarHBondContact O-ND1 2.65Å
88	L	97.7	Very high	96	Very high	76 Å²	76	43.7 Å²	43.7	40%	0.398	21%	0.212	S	C	.	.			trans	-112.1	21.7	-173.4	-56.5	179.3	0	0	0	112.5	L68 R69 Q90	L68-L88 CarbonylContact O-C 3.57Å; L68-L88 VanDerWaalsContact O-CA 3.22Å; L68-L88 WeakPolarHBondContact O-CA 3.44Å; L68-L88 WeakPolarHBondContact O-CB 3.44Å; L68-L88 PolarHBondContact O-N 3.28Å; R69-L88 HydrophobicContact CG-CB 4.39Å; L88-Q90 PolarHBondContact O-N 2.88Å
89	I	97.8	Very high	96	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	22%	0.224	C	C	.	.			trans	-66.6	127.8	-175	-56.1	175.6	0	0	0	109.3	L68 R69 L84 N87 N111 H112 I113	L68-I89 HydrophobicContact CB-CG1 4.4Å; L68-I89 WeakPolarHBondContact O-CG1 3.09Å; L68-I89 PolarHBondContact O-N 2.85Å; R69-I89 WeakPolarHBondContact O-CA 3.36Å; L84-I89 HydrophobicContact CB-CD1 4.29Å; L84-I89 HydrophobicContact CD2-CD1 4.35Å; N87-I89 HydrophobicContact CB-CG1 4.34Å; I89-N111 HydrophobicContact CB-CB 4.48Å; I89-N111 WeakPolarHBondContact CB-OD1 3.37Å; I89-N111 WeakPolarHBondContact CG1-OD1 3.41Å; I89-N111 PolarHBondContact N-OD1 2.98Å; I89-N111 VanDerWaalsContact N-OD1 3.13Å; I89-H112 CarbonylContact O-C 3.41Å; I89-H112 VanDerWaalsContact O-CA 3.27Å; I89-H112 WeakPolarHBondContact O-CA 3.17Å; I89-H112 PolarHBondContact O-N 2.96Å; I89-I113 HydrophobicContact CB-CG1 4.43Å; I89-I113 HydrophobicContact CG2-CG1 4.29Å; I89-I113 WeakPolarHBondContact O-CG1 3.39Å; I89-I113 PolarHBondContact O-N 2.9Å
90	Q	96.8	Very high	95.9	Very high	84 Å²	84	47.2 Å²	47.2	39%	0.393	23%	0.226	S	C	.	.			trans	-106.7	-32	-176.6	-65.8	-171	23.1	0	0	115	L88 H112 I113 R114	L88-Q90 PolarHBondContact O-N 2.88Å; Q90-H112 WeakPolarHBondContact CA-O 3.06Å; Q90-H112 HydrophobicContact CG-CB 4.16Å; Q90-I113 WeakPolarHBondContact O-CA 3.4Å; Q90-R114 HydrophobicContact CB-CG 4.49Å; Q90-R114 VanDerWaalsContact O-CG 3.31Å; Q90-R114 WeakPolarHBondContact O-CG 3.49Å; Q90-R114 PolarHBondContact O-N 2.9Å; Q90-R114 VanDerWaalsContact OE1-NE 3.11Å
91	V	97.1	Very high	95.8	Very high	33 Å²	33	49.5 Å²	49.5	20%	0.2	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	133.2	-175.4	-177.4	0	0	0	0	108.3	N115 E117	V91-N115 WeakPolarHBondContact CA-O 3.36Å; V91-N115 HydrophobicContact CG1-CB 4.39Å; V91-N115 HydrophobicContact CG2-CB 4.39Å; V91-E117 HydrophobicContact CG1-CG 4.39Å
92	I	97.1	Very high	95.7	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	119.9	166.8	-46.9	-179.3	0	0	0	107.6	F97 L108 I113 N115 I116 E117 A120 F121 L132	I92-F97 HydrophobicContact CG2-CE2 3.68Å; I92-F97 HydrophobicContact CG2-CZ 4.31Å; I92-L108 HydrophobicContact CD1-CD1 3.64Å; I92-L108 HydrophobicContact CD1-CD2 4.47Å; I92-I113 HydrophobicContact CD1-CD1 4.13Å; I92-I113 HydrophobicContact CG1-CD1 4.34Å; I92-I113 HydrophobicContact CG1-CG2 4.25Å; I92-N115 PolarHBondContact N-O 2.9Å; I92-I116 HydrophobicContact CB-CG1 4.39Å; I92-I116 HydrophobicContact CB-CG2 4.29Å; I92-I116 HydrophobicContact CD1-CD1 3.93Å; I92-I116 HydrophobicContact CD1-CG1 3.95Å; I92-I116 HydrophobicContact CD1-CG2 4.45Å; I92-I116 HydrophobicContact CG1-CG1 4.14Å; I92-E117 PolarHBondContact O-N 2.64Å; I92-A120 HydrophobicContact CB-CB 4.23Å; I92-A120 HydrophobicContact CG2-CB 3.81Å; I92-F121 HydrophobicContact CD1-CE1 4.07Å; I92-F121 HydrophobicContact CD1-CZ 3.97Å; I92-L132 HydrophobicContact CD1-CD2 4.41Å
93	K	95.5	Very high	95.7	Very high	101 Å²	101	51.5 Å²	51.5	44%	0.439	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-83.9	156.9	-173.7	-59.4	168.6	-167	163.6	0	111.2	D70 D95 S96 E117 A120	D70-K93 WeakPolarHBondContact OD1-CE 3.27Å; D70-K93 IonicContact OD1-NZ 2.64Å; D70-K93 PolarHBondContact OD1-NZ 2.79Å; K93-D95 PolarHBondContact O-N 2.91Å; K93-S96 PolarHBondContact N-OG 3.22Å; K93-S96 WeakPolarHBondContact O-CB 3.46Å; K93-S96 PolarHBondContact O-N 3.14Å; K93-S96 PolarHBondContact O-OG 3.22Å; K93-E117 WeakPolarHBondContact CA-OE2 3.36Å; K93-A120 WeakPolarHBondContact O-CA 3.32Å
94	V	94.9	Very high	95.7	Very high	73 Å²	73	54.5 Å²	54.5	44%	0.442	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.2	139.9	171	-171.7	0	0	0	0	110.6	S96 E117 I118	V94-S96 PolarHBondContact O-N 3.23Å; V94-E117 HydrophobicContact CG2-CB 3.82Å; V94-E117 WeakPolarHBondContact CG2-OE2 3.07Å; V94-E117 PolarHBondContact N-OE2 3.45Å; V94-I118 WeakPolarHBondContact CG2-O 3.41Å
95	D	93.1	Very high	95.7	Very high	50 Å²	50	57.2 Å²	57.2	27%	0.267	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.3	9.9	175.3	-76.9	-19.9	0	0	0	116.7	K93 F97 K98 G119 N122	K93-D95 PolarHBondContact O-N 2.91Å; D95-F97 PolarHBondContact O-N 3.24Å; D95-K98 HydrophobicContact CB-CB 4.03Å; D95-K98 HydrophobicContact CB-CD 4.01Å; D95-K98 HydrophobicContact CB-CG 4.47Å; D95-K98 VanDerWaalsContact O-CB 3.27Å; D95-K98 WeakPolarHBondContact O-CB 3.4Å; D95-K98 PolarHBondContact O-N 3.37Å; D95-K98 IonicContact OD1-NZ 2.66Å; D95-K98 WeakPolarHBondContact OD2-CD 3.31Å; D95-K98 WeakPolarHBondContact OD2-CE 3.27Å; D95-K98 IonicContact OD2-NZ 3.71Å; D95-K98 PolarHBondContact OD2-NZ 3.17Å; D95-G119 PolarHBondContact N-O 3.02Å; D95-G119 VanDerWaalsContact N-O 3.11Å; D95-N122 WeakPolarHBondContact OD1-CB 3.41Å; D95-N122 PolarHBondContact OD1-ND2 3.01Å
96	S	93.8	Very high	95.8	Very high	42 Å²	42	55.4 Å²	55.4	29%	0.294	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.3	-29.3	-178.5	-66.9	0	0	0	0	114.4	K93 V94	K93-S96 PolarHBondContact N-OG 3.22Å; K93-S96 WeakPolarHBondContact O-CB 3.46Å; K93-S96 PolarHBondContact O-N 3.14Å; K93-S96 PolarHBondContact O-OG 3.22Å; V94-S96 PolarHBondContact O-N 3.23Å
97	F	94.4	Very high	95.8	Very high	1 Å²	1	53.5 Å²	53.5	0%	0.004	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.9	13.3	-178.8	-49.8	-72.7	0	0	0	114.5	V71 L82 L84 I92 D95 H99 L100 L106 L108 F121 L124	V71-F97 HydrophobicContact CG1-CD1 4.37Å; V71-F97 HydrophobicContact CG1-CE1 3.64Å; V71-F97 HydrophobicContact CG1-CZ 4.19Å; V71-F97 HydrophobicContact CG2-CE1 4.15Å; V71-F97 HydrophobicContact CG2-CZ 3.83Å; L82-F97 HydrophobicContact CD2-CD1 4.21Å; L82-F97 HydrophobicContact CD2-CE1 3.97Å; L84-F97 HydrophobicContact CD1-CE1 4.34Å; I92-F97 HydrophobicContact CG2-CE2 3.68Å; I92-F97 HydrophobicContact CG2-CZ 4.31Å; D95-F97 PolarHBondContact O-N 3.24Å; F97-H99 PolarHBondContact O-N 3.18Å; F97-L100 HydrophobicContact CB-CD1 4.27Å; F97-L100 HydrophobicContact CD1-CD1 3.98Å; F97-L100 WeakPolarHBondContact O-CB 3.49Å; F97-L100 PolarHBondContact O-N 3.11Å; F97-L106 HydrophobicContact CD2-CD2 4.09Å; F97-L106 HydrophobicContact CE1-CD1 4.16Å; F97-L106 HydrophobicContact CE1-CD2 4.39Å; F97-L106 HydrophobicContact CE2-CD2 3.87Å; F97-L106 HydrophobicContact CG-CD2 4.43Å; F97-L106 HydrophobicContact CZ-CD1 4.23Å; F97-L106 HydrophobicContact CZ-CD2 4.04Å; F97-L108 HydrophobicContact CE2-CD1 4.36Å; F97-L108 HydrophobicContact CZ-CD1 4.17Å; F97-L108 HydrophobicContact CZ-CD2 4.32Å; F97-F121 AromaticContact CD2-CD1 3.95Å; F97-F121 HydrophobicContact CD2-CD1 3.95Å; F97-F121 HydrophobicContact CD2-CE1 4.34Å; F97-F121 HydrophobicContact CE2-CD1 4.02Å; F97-F121 AromaticContact CE2-CE1 3.94Å; F97-F121 HydrophobicContact CE2-CE1 3.94Å; F97-L124 HydrophobicContact CB-CD1 3.91Å; F97-L124 HydrophobicContact CB-CD2 3.67Å; F97-L124 HydrophobicContact CB-CG 3.92Å; F97-L124 HydrophobicContact CD2-CD1 4.21Å; F97-L124 HydrophobicContact CG-CD1 4.27Å
98	K	92.4	Very high	95.8	Very high	98 Å²	98	53.3 Å²	53.3	43%	0.426	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.3	-30.8	-170.5	-167.9	-179.9	-153.5	159.9	0	115.9	D95 N122	D95-K98 HydrophobicContact CB-CB 4.03Å; D95-K98 HydrophobicContact CB-CD 4.01Å; D95-K98 HydrophobicContact CB-CG 4.47Å; D95-K98 VanDerWaalsContact O-CB 3.27Å; D95-K98 WeakPolarHBondContact O-CB 3.4Å; D95-K98 PolarHBondContact O-N 3.37Å; D95-K98 IonicContact OD1-NZ 2.66Å; D95-K98 WeakPolarHBondContact OD2-CD 3.31Å; D95-K98 WeakPolarHBondContact OD2-CE 3.27Å; D95-K98 IonicContact OD2-NZ 3.71Å; D95-K98 PolarHBondContact OD2-NZ 3.17Å; K98-N122 WeakPolarHBondContact CA-O 3.26Å
99	H	91.6	Very high	95.8	Very high	135 Å²	135	49.7 Å²	49.7	63%	0.625	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-14.6	-175.8	-54.9	104.1	0	0	0	113.7	T77 F97 R101	T77-H99 HydrophobicContact CG2-CB 4.32Å; F97-H99 PolarHBondContact O-N 3.18Å; H99-R101 VanDerWaalsContact C-N 3.28Å; H99-R101 PolarHBondContact O-N 2.91Å
100	L	93.8	Very high	95.8	Very high	7 Å²	7	54 Å²	54	4%	0.037	26%	0.255	C	S	.	.			trans	-88.8	53.6	-169.8	-51.7	-175.8	0	0	0	112.5	I75 S76 L82 F97 H102 L103 L124	I75-L100 HydrophobicContact CB-CD2 4.24Å; I75-L100 HydrophobicContact CG2-CD1 3.98Å; I75-L100 HydrophobicContact CG2-CD2 3.79Å; S76-L100 WeakPolarHBondContact O-CD2 3.36Å; L82-L100 HydrophobicContact CD2-CD1 4.03Å; F97-L100 HydrophobicContact CB-CD1 4.27Å; F97-L100 HydrophobicContact CD1-CD1 3.98Å; F97-L100 WeakPolarHBondContact O-CB 3.49Å; F97-L100 PolarHBondContact O-N 3.11Å; L100-H102 PolarHBondContact O-N 2.9Å; L100-L103 HydrophobicContact CB-CB 4.05Å; L100-L103 HydrophobicContact CB-CD2 4.48Å; L100-L103 HydrophobicContact CD1-CD2 4.27Å; L100-L103 VanDerWaalsContact O-CB 3.26Å; L100-L103 WeakPolarHBondContact O-CB 3.44Å; L100-L103 PolarHBondContact O-N 3.06Å; L100-L124 HydrophobicContact CB-CD2 3.94Å; L100-L124 WeakPolarHBondContact O-CD2 3.35Å
101	R	93.3	Very high	95.9	Very high	173 Å²	173	50.2 Å²	50.2	65%	0.653	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-18.9	-175.5	-62.5	-178.2	-178.4	-179.5	-0.2	114.8	H99 S126	H99-R101 VanDerWaalsContact C-N 3.28Å; H99-R101 PolarHBondContact O-N 2.91Å; R101-S126 VanDerWaalsContact O-CB 3.23Å; R101-S126 WeakPolarHBondContact O-CB 3.12Å; R101-S126 PolarHBondContact O-OG 3Å
102	H	95.5	Very high	95.9	Very high	95 Å²	95	52.4 Å²	52.4	44%	0.44	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-0.3	178.2	-55.9	112.3	0	0	0	113.7	T77 T79 R80 L100 E104	T77-H102 PolarHBondContact O-ND1 2.98Å; T79-H102 CarbonylContact O-C 3.32Å; R80-H102 WeakPolarHBondContact CA-O 3.4Å; L100-H102 PolarHBondContact O-N 2.9Å; H102-E104 PolarHBondContact O-N 2.71Å
103	L	97.1	Very high	96	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	25%	0.245	C	C	.	.			trans	-67.2	122.8	-177.8	-163.6	71	0	0	0	110.3	T79 L82 L100 L106 L124 S126 L127	T79-L103 HydrophobicContact CG2-CD1 3.9Å; T79-L103 WeakPolarHBondContact O-CA 3.19Å; T79-L103 PolarHBondContact O-N 2.69Å; L82-L103 HydrophobicContact CB-CD1 3.67Å; L100-L103 HydrophobicContact CB-CB 4.05Å; L100-L103 HydrophobicContact CB-CD2 4.48Å; L100-L103 HydrophobicContact CD1-CD2 4.27Å; L100-L103 VanDerWaalsContact O-CB 3.26Å; L100-L103 WeakPolarHBondContact O-CB 3.44Å; L100-L103 PolarHBondContact O-N 3.06Å; L103-L106 HydrophobicContact CD2-CB 3.89Å; L103-L106 HydrophobicContact CD2-CD1 4.22Å; L103-L106 HydrophobicContact CD2-CD2 4.16Å; L103-L106 HydrophobicContact CD2-CG 4.31Å; L103-L124 HydrophobicContact CB-CD2 3.95Å; L103-L124 HydrophobicContact CD2-CD1 4.39Å; L103-L124 HydrophobicContact CD2-CD2 3.76Å; L103-S126 CarbonylContact O-C 3.55Å; L103-S126 WeakPolarHBondContact O-CB 3.41Å; L103-L127 HydrophobicContact CD2-CD1 4.36Å; L103-L127 HydrophobicContact CG-CD1 4.37Å; L103-L127 WeakPolarHBondContact O-CA 3.27Å; L103-L127 PolarHBondContact O-N 2.8Å
104	E	97.6	Very high	96.1	Very high	73 Å²	73	54.8 Å²	54.8	34%	0.341	25%	0.251	S	S	.	.			trans	-104.3	-35.9	-179.9	-70.8	165.1	-159.5	0	0	110.7	R80 H102 N128 T129	R80-E104 WeakPolarHBondContact CD-OE1 3.19Å; R80-E104 IonicContact CZ-OE1 2.73Å; R80-E104 IonicContact NE-OE1 3.15Å; R80-E104 IonicContact NH1-OE1 3.78Å; R80-E104 PolarHBondContact NH1-OE1 3.42Å; R80-E104 IonicContact NH1-OE2 3.9Å; R80-E104 PolarHBondContact O-N 2.89Å; H102-E104 PolarHBondContact O-N 2.71Å; E104-N128 WeakPolarHBondContact O-CA 3.48Å; E104-N128 WeakPolarHBondContact O-CB 3.43Å; E104-N128 PolarHBondContact O-N 3.06Å; E104-T129 PolarHBondContact O-N 3.06Å; E104-T129 VanDerWaalsContact O-N 3.09Å
105	I	98.4	Very high	96.1	Very high	56 Å²	56	55.1 Å²	55.1	29%	0.287	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	124.8	-178.3	-56.7	176.8	0	0	0	110	R80 Y81 L82 Q107	R80-I105 PolarHBondContact O-N 2.63Å; Y81-I105 HydrophobicContact CD2-CB 3.98Å; Y81-I105 HydrophobicContact CD2-CD1 4.28Å; Y81-I105 HydrophobicContact CD2-CG2 3.9Å; Y81-I105 HydrophobicContact CE2-CG2 4.2Å; L82-I105 PolarHBondContact N-O 3.13Å; I105-Q107 HydrophobicContact CG2-CG 3.96Å
106	L	98.3	Very high	96.3	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	112.3	176.5	178.1	51.2	0	0	0	110.2	L82 F97 L103 L108 F121 L124 L127 T129 L130 E131	L82-L106 HydrophobicContact CB-CD1 4.21Å; L82-L106 HydrophobicContact CD2-CD1 3.91Å; L82-L106 HydrophobicContact CG-CD1 4.11Å; F97-L106 HydrophobicContact CD2-CD2 4.09Å; F97-L106 HydrophobicContact CE1-CD1 4.16Å; F97-L106 HydrophobicContact CE1-CD2 4.39Å; F97-L106 HydrophobicContact CE2-CD2 3.87Å; F97-L106 HydrophobicContact CG-CD2 4.43Å; F97-L106 HydrophobicContact CZ-CD1 4.23Å; F97-L106 HydrophobicContact CZ-CD2 4.04Å; L103-L106 HydrophobicContact CD2-CB 3.89Å; L103-L106 HydrophobicContact CD2-CD1 4.22Å; L103-L106 HydrophobicContact CD2-CD2 4.16Å; L103-L106 HydrophobicContact CD2-CG 4.31Å; L106-L108 HydrophobicContact CD1-CD1 3.98Å; L106-L108 HydrophobicContact CD1-CG 3.95Å; L106-L108 HydrophobicContact CD2-CD1 3.79Å; L106-L108 HydrophobicContact CG-CD1 3.68Å; L106-L108 HydrophobicContact CG-CG 4.06Å; L106-F121 HydrophobicContact CD2-CD1 4.15Å; L106-F121 HydrophobicContact CD2-CE1 4.02Å; L106-L124 HydrophobicContact CD2-CD1 3.94Å; L106-L127 HydrophobicContact CB-CD1 3.71Å; L106-T129 PolarHBondContact N-O 3Å; L106-L130 HydrophobicContact CB-CD1 4.12Å; L106-L130 HydrophobicContact CD2-CD1 4Å; L106-L130 HydrophobicContact CG-CD1 3.98Å; L106-E131 PolarHBondContact O-N 2.81Å
107	Q	98.5	Very high	96.4	Very high	23 Å²	23	54.3 Å²	54.3	11%	0.107	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	109.2	179.6	-50.7	-174.1	-61.4	0	0	111.1	Y81 L82 N83 L84 Q85 I105 E131	Y81-Q107 PolarHBondContact OH-OE1 3.4Å; L82-Q107 PolarHBondContact O-N 2.79Å; N83-Q107 HydrophobicContact CB-CB 4.36Å; N83-Q107 VanDerWaalsContact CG-OE1 3.29Å; N83-Q107 PolarHBondContact ND2-OE1 3.42Å; L84-Q107 PolarHBondContact N-O 2.95Å; Q85-Q107 HydrophobicContact CG-CB 3.85Å; I105-Q107 HydrophobicContact CG2-CG 3.96Å; Q107-E131 HydrophobicContact CG-CG 4.49Å; Q107-E131 WeakPolarHBondContact CG-OE2 3.01Å; Q107-E131 VanDerWaalsContact NE2-CD 3.31Å; Q107-E131 PolarHBondContact NE2-OE1 2.88Å; Q107-E131 PolarHBondContact NE2-OE2 3.33Å
108	L	98	Very high	96.4	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	27%	0.271	C	S	.	.			trans	-120.6	11	-179	-72.8	159	0	0	0	112	L84 I92 F97 L106 N111 I113 F121 L130 E131 L132 N135	L84-L108 HydrophobicContact CB-CD2 4.03Å; L84-L108 HydrophobicContact CD1-CD2 3.78Å; I92-L108 HydrophobicContact CD1-CD1 3.64Å; I92-L108 HydrophobicContact CD1-CD2 4.47Å; F97-L108 HydrophobicContact CE2-CD1 4.36Å; F97-L108 HydrophobicContact CZ-CD1 4.17Å; F97-L108 HydrophobicContact CZ-CD2 4.32Å; L106-L108 HydrophobicContact CD1-CD1 3.98Å; L106-L108 HydrophobicContact CD1-CG 3.95Å; L106-L108 HydrophobicContact CD2-CD1 3.79Å; L106-L108 HydrophobicContact CG-CD1 3.68Å; L106-L108 HydrophobicContact CG-CG 4.06Å; L108-N111 PolarHBondContact O-ND2 2.95Å; L108-I113 HydrophobicContact CB-CD1 4.01Å; L108-I113 HydrophobicContact CD2-CD1 4.49Å; L108-F121 HydrophobicContact CD1-CE1 4.06Å; L108-L130 HydrophobicContact CD1-CD1 4.29Å; L108-E131 CarbonylContact C-O 3.59Å; L108-E131 WeakPolarHBondContact CA-O 3.36Å; L108-E131 WeakPolarHBondContact CB-O 3.26Å; L108-E131 PolarHBondContact N-O 3.11Å; L108-L132 HydrophobicContact CB-CD2 3.89Å; L108-L132 HydrophobicContact CD1-CD2 4.1Å; L108-N135 PolarHBondContact O-ND2 3.45Å
109	S	97.8	Very high	96.4	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	25%	0.252	C	S	.	.			trans	-68.3	162.1	-179.4	37.3	0	0	0	0	113.5	Q85 E86 N111 E131 F133	Q85-S109 VanDerWaalsContact CA-O 3.28Å; Q85-S109 WeakPolarHBondContact CA-O 3.48Å; Q85-S109 WeakPolarHBondContact CG-OG 3.44Å; Q85-S109 PolarHBondContact NE2-OG 2.92Å; Q85-S109 VanDerWaalsContact NE2-OG 3.17Å; E86-S109 PolarHBondContact N-O 2.96Å; S109-N111 VanDerWaalsContact C-N 3.35Å; S109-N111 PolarHBondContact O-N 2.91Å; S109-N111 PolarHBondContact O-ND2 2.93Å; S109-N111 VanDerWaalsContact O-ND2 3.12Å; S109-E131 PolarHBondContact N-O 3.19Å; S109-E131 PolarHBondContact OG-OE2 3.31Å; S109-E131 VanDerWaalsContact OG-OE2 3.11Å; S109-F133 CarbonylContact C-O 3.1Å; S109-F133 WeakPolarHBondContact CA-O 3.49Å; S109-F133 VanDerWaalsContact CB-CD2 3.41Å; S109-F133 VanDerWaalsContact CB-CE2 3.45Å; S109-F133 VanDerWaalsContact CB-CG 3.43Å; S109-F133 WeakPolarHBondContact CB-O 3.28Å; S109-F133 WeakPolarHBondContact OG-CE1 3.33Å; S109-F133 VanDerWaalsContact OG-CZ 3.26Å; S109-F133 WeakPolarHBondContact OG-CZ 3.47Å
110	K	97.9	Very high	96.6	Very high	90 Å²	90	49.2 Å²	49.2	39%	0.391	22%	0.222	S	C	.	.	S	Bend	trans	51.9	50.6	-175.2	-60.7	-177.6	-175.8	-174.3	0	112.8	E86 N87 F133 D134	E86-K110 VanDerWaalsContact CA-O 3.25Å; E86-K110 WeakPolarHBondContact CA-O 3.4Å; E86-K110 HydrophobicContact CG-CB 3.82Å; E86-K110 HydrophobicContact CG-CD 3.51Å; E86-K110 HydrophobicContact CG-CG 4.35Å; E86-K110 PolarHBondContact N-O 3.13Å; E86-K110 WeakPolarHBondContact OE1-CD 3.23Å; E86-K110 IonicContact OE1-NZ 2.74Å; E86-K110 PolarHBondContact OE1-NZ 3.02Å; N87-K110 PolarHBondContact N-O 3.21Å; K110-F133 PolarHBondContact N-O 3.25Å; K110-D134 VanDerWaalsContact CA-O 3.26Å; K110-D134 WeakPolarHBondContact CA-O 3.47Å; K110-D134 HydrophobicContact CB-CB 4.36Å; K110-D134 HydrophobicContact CG-CB 3.7Å; K110-D134 WeakPolarHBondContact CG-OD2 3.49Å; K110-D134 PolarHBondContact N-O 3Å
111	N	98.2	Very high	96.7	Very high	4 Å²	4	49 Å²	49	2%	0.021	22%	0.221	C	C	.	.	S	Bend	trans	-121.8	-169.3	175.2	-90.1	-86	0	0	0	109.8	L84 N87 I89 L108 S109 I113 D134 N135	L84-N111 PolarHBondContact O-ND2 2.85Å; N87-N111 WeakPolarHBondContact CA-OD1 3.15Å; N87-N111 WeakPolarHBondContact CB-OD1 3.3Å; N87-N111 PolarHBondContact O-OD1 3.17Å; I89-N111 HydrophobicContact CB-CB 4.48Å; I89-N111 WeakPolarHBondContact CB-OD1 3.37Å; I89-N111 WeakPolarHBondContact CG1-OD1 3.41Å; I89-N111 PolarHBondContact N-OD1 2.98Å; I89-N111 VanDerWaalsContact N-OD1 3.13Å; L108-N111 PolarHBondContact O-ND2 2.95Å; S109-N111 VanDerWaalsContact C-N 3.35Å; S109-N111 PolarHBondContact O-N 2.91Å; S109-N111 PolarHBondContact O-ND2 2.93Å; S109-N111 VanDerWaalsContact O-ND2 3.12Å; N111-I113 HydrophobicContact CB-CD1 3.95Å; N111-I113 HydrophobicContact CB-CG1 3.9Å; N111-D134 PolarHBondContact N-O 3Å; N111-N135 VanDerWaalsContact CA-OD1 3.3Å; N111-N135 WeakPolarHBondContact CA-OD1 3.33Å; N111-N135 WeakPolarHBondContact CB-OD1 3.39Å; N111-N135 PolarHBondContact N-OD1 3.27Å; N111-N135 PolarHBondContact O-OD1 3.06Å
112	H	97.8	Very high	96.7	Very high	79 Å²	79	42.8 Å²	42.8	37%	0.366	20%	0.201	S	C	.	.			trans	-109.9	24.6	179.2	-71.1	71.1	0	0	0	111.5	N87 I89 Q90 R114 N135	N87-H112 PolarHBondContact O-ND1 2.65Å; I89-H112 CarbonylContact O-C 3.41Å; I89-H112 VanDerWaalsContact O-CA 3.27Å; I89-H112 WeakPolarHBondContact O-CA 3.17Å; I89-H112 PolarHBondContact O-N 2.96Å; Q90-H112 WeakPolarHBondContact CA-O 3.06Å; Q90-H112 HydrophobicContact CG-CB 4.16Å; H112-R114 PolarHBondContact O-N 3.44Å; H112-R114 VanDerWaalsContact O-N 3.13Å; H112-N135 PolarHBondContact N-OD1 3.04Å
113	I	98.4	Very high	96.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.197	C	C	.	.			trans	-67.8	114.7	-168.2	-58.5	160.8	0	0	0	109.2	I89 Q90 I92 L108 N111 I116 L132 N135 R136 L137	I89-I113 HydrophobicContact CB-CG1 4.43Å; I89-I113 HydrophobicContact CG2-CG1 4.29Å; I89-I113 WeakPolarHBondContact O-CG1 3.39Å; I89-I113 PolarHBondContact O-N 2.9Å; Q90-I113 WeakPolarHBondContact O-CA 3.4Å; I92-I113 HydrophobicContact CD1-CD1 4.13Å; I92-I113 HydrophobicContact CG1-CD1 4.34Å; I92-I113 HydrophobicContact CG1-CG2 4.25Å; L108-I113 HydrophobicContact CB-CD1 4.01Å; L108-I113 HydrophobicContact CD2-CD1 4.49Å; N111-I113 HydrophobicContact CB-CD1 3.95Å; N111-I113 HydrophobicContact CB-CG1 3.9Å; I113-I116 HydrophobicContact CG2-CD1 4.05Å; I113-I116 HydrophobicContact CG2-CG1 3.65Å; I113-L132 HydrophobicContact CD1-CD2 4.26Å; I113-N135 HydrophobicContact CB-CB 4.39Å; I113-N135 VanDerWaalsContact CB-OD1 3.27Å; I113-N135 WeakPolarHBondContact CB-OD1 3.45Å; I113-N135 WeakPolarHBondContact CG1-OD1 3Å; I113-N135 PolarHBondContact N-OD1 3.04Å; I113-R136 CarbonylContact O-C 3.49Å; I113-R136 VanDerWaalsContact O-CA 3.26Å; I113-R136 WeakPolarHBondContact O-CA 3.05Å; I113-R136 WeakPolarHBondContact O-CB 3.3Å; I113-R136 PolarHBondContact O-N 2.9Å; I113-L137 HydrophobicContact CG2-CD2 4.03Å; I113-L137 PolarHBondContact O-N 3.16Å; I113-L137 VanDerWaalsContact O-N 3.16Å
114	R	96.9	Very high	96.4	Very high	152 Å²	152	40.1 Å²	40.1	57%	0.574	20%	0.198	S	C	*	.			trans	-110.2	-18.1	179.6	54.4	172.1	168.9	117.6	-2.3	113.3	Q90 H112 R136	Q90-R114 HydrophobicContact CB-CG 4.49Å; Q90-R114 VanDerWaalsContact O-CG 3.31Å; Q90-R114 WeakPolarHBondContact O-CG 3.49Å; Q90-R114 PolarHBondContact O-N 2.9Å; Q90-R114 VanDerWaalsContact OE1-NE 3.11Å; H112-R114 PolarHBondContact O-N 3.44Å; H112-R114 VanDerWaalsContact O-N 3.13Å; R114-R136 HydrophobicContact CB-CB 4.23Å
115	N	96.3	Very high	96.1	Very high	80 Å²	80	39.3 Å²	39.3	43%	0.428	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	145.9	176	-171.9	32.4	0	0	0	110.8	V91 I92	V91-N115 WeakPolarHBondContact CA-O 3.36Å; V91-N115 HydrophobicContact CG1-CB 4.39Å; V91-N115 HydrophobicContact CG2-CB 4.39Å; I92-N115 PolarHBondContact N-O 2.9Å
116	I	97.2	Very high	96	Very high	9 Å²	9	37.9 Å²	37.9	5%	0.046	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	115.8	173.6	-61	-179.4	0	0	0	106	I92 I113 A120 F121 L132 L137 P141 A144	I92-I116 HydrophobicContact CB-CG1 4.39Å; I92-I116 HydrophobicContact CB-CG2 4.29Å; I92-I116 HydrophobicContact CD1-CD1 3.93Å; I92-I116 HydrophobicContact CD1-CG1 3.95Å; I92-I116 HydrophobicContact CD1-CG2 4.45Å; I92-I116 HydrophobicContact CG1-CG1 4.14Å; I113-I116 HydrophobicContact CG2-CD1 4.05Å; I113-I116 HydrophobicContact CG2-CG1 3.65Å; I116-A120 HydrophobicContact CG2-CB 3.71Å; I116-F121 HydrophobicContact CD1-CE2 4.42Å; I116-F121 HydrophobicContact CD1-CZ 4.18Å; I116-F121 HydrophobicContact CG2-CD2 4.46Å; I116-F121 HydrophobicContact CG2-CE2 3.75Å; I116-F121 HydrophobicContact CG2-CZ 4.01Å; I116-L132 HydrophobicContact CD1-CD1 3.86Å; I116-L132 HydrophobicContact CD1-CD2 3.81Å; I116-L132 HydrophobicContact CD1-CG 4.5Å; I116-L137 HydrophobicContact CD1-CD1 4.26Å; I116-L137 HydrophobicContact CD1-CD2 4.12Å; I116-L137 HydrophobicContact CG1-CD2 4.11Å; I116-P141 HydrophobicContact CB-CB 4.16Å; I116-P141 HydrophobicContact CB-CG 4.33Å; I116-P141 HydrophobicContact CD1-CG 4.24Å; I116-A144 HydrophobicContact CB-CB 4.41Å; I116-A144 HydrophobicContact CG2-CB 3.52Å
117	E	95.3	Very high	96	Very high	65 Å²	65	37.9 Å²	37.9	30%	0.304	20%	0.199	S	C	.	.			trans	-72.6	154.9	-173.3	-66.3	173.1	-176.5	0	0	112	V91 I92 K93 V94 G119 A120	V91-E117 HydrophobicContact CG1-CG 4.39Å; I92-E117 PolarHBondContact O-N 2.64Å; K93-E117 WeakPolarHBondContact CA-OE2 3.36Å; V94-E117 HydrophobicContact CG2-CB 3.82Å; V94-E117 WeakPolarHBondContact CG2-OE2 3.07Å; V94-E117 PolarHBondContact N-OE2 3.45Å; E117-G119 PolarHBondContact O-N 3.22Å; E117-A120 WeakPolarHBondContact O-CB 3.42Å; E117-A120 PolarHBondContact O-N 3.16Å
118	I	94.1	Very high	96	Very high	124 Å²	124	38.7 Å²	38.7	64%	0.636	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	126.9	177.3	-61.6	175.1	0	0	0	108.5	V94 A120	V94-I118 WeakPolarHBondContact CG2-O 3.41Å; I118-A120 VanDerWaalsContact C-N 3.33Å; I118-A120 PolarHBondContact O-N 3Å
119	G	92.3	Very high	96	Very high	4 Å²	4	39.1 Å²	39.1	4%	0.041	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.5	14.3	-173.4	0	0	0	0	0	115.7	D95 E117 F121 N122	D95-G119 PolarHBondContact N-O 3.02Å; D95-G119 VanDerWaalsContact N-O 3.11Å; E117-G119 PolarHBondContact O-N 3.22Å; G119-F121 PolarHBondContact O-N 3.26Å; G119-N122 WeakPolarHBondContact CA-OD1 3.23Å; G119-N122 VanDerWaalsContact O-CB 3.24Å; G119-N122 WeakPolarHBondContact O-CB 3.33Å; G119-N122 PolarHBondContact O-N 3.47Å; G119-N122 VanDerWaalsContact O-N 3.1Å; G119-N122 PolarHBondContact O-ND2 3.11Å
120	A	95.8	Very high	96	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-31.9	172.1	0	0	0	0	0	113.4	I92 K93 I116 E117 I118	I92-A120 HydrophobicContact CB-CB 4.23Å; I92-A120 HydrophobicContact CG2-CB 3.81Å; K93-A120 WeakPolarHBondContact O-CA 3.32Å; I116-A120 HydrophobicContact CG2-CB 3.71Å; E117-A120 WeakPolarHBondContact O-CB 3.42Å; E117-A120 PolarHBondContact O-N 3.16Å; I118-A120 VanDerWaalsContact C-N 3.33Å; I118-A120 PolarHBondContact O-N 3Å
121	F	96.1	Very high	96.1	Very high	1 Å²	1	36 Å²	36	0%	0.004	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	15.3	178.3	-58.2	-55.1	0	0	0	113.9	I92 F97 L106 L108 I116 G119 L124 L130 L132 A144 F145 L148	I92-F121 HydrophobicContact CD1-CE1 4.07Å; I92-F121 HydrophobicContact CD1-CZ 3.97Å; F97-F121 AromaticContact CD2-CD1 3.95Å; F97-F121 HydrophobicContact CD2-CD1 3.95Å; F97-F121 HydrophobicContact CD2-CE1 4.34Å; F97-F121 HydrophobicContact CE2-CD1 4.02Å; F97-F121 AromaticContact CE2-CE1 3.94Å; F97-F121 HydrophobicContact CE2-CE1 3.94Å; L106-F121 HydrophobicContact CD2-CD1 4.15Å; L106-F121 HydrophobicContact CD2-CE1 4.02Å; L108-F121 HydrophobicContact CD1-CE1 4.06Å; I116-F121 HydrophobicContact CD1-CE2 4.42Å; I116-F121 HydrophobicContact CD1-CZ 4.18Å; I116-F121 HydrophobicContact CG2-CD2 4.46Å; I116-F121 HydrophobicContact CG2-CE2 3.75Å; I116-F121 HydrophobicContact CG2-CZ 4.01Å; G119-F121 PolarHBondContact O-N 3.26Å; F121-L124 HydrophobicContact CB-CD1 4.06Å; F121-L124 HydrophobicContact CD1-CD1 4.02Å; F121-L124 HydrophobicContact CG-CD1 4.49Å; F121-L124 WeakPolarHBondContact O-CB 3.38Å; F121-L124 WeakPolarHBondContact O-CG 3.49Å; F121-L124 PolarHBondContact O-N 3.23Å; F121-L130 HydrophobicContact CD2-CD2 4.29Å; F121-L130 HydrophobicContact CE1-CD1 4.14Å; F121-L130 HydrophobicContact CE1-CD2 4.39Å; F121-L130 HydrophobicContact CE2-CD2 3.89Å; F121-L130 HydrophobicContact CZ-CD1 4.19Å; F121-L130 HydrophobicContact CZ-CD2 3.95Å; F121-L132 HydrophobicContact CZ-CD1 4.28Å; F121-A144 HydrophobicContact CD2-CB 4.01Å; F121-A144 WeakPolarHBondContact CD2-O 3.42Å; F121-A144 HydrophobicContact CE2-CB 4.13Å; F121-F145 HydrophobicContact CD2-CD1 4.38Å; F121-F145 HydrophobicContact CE2-CD1 4.41Å; F121-F145 HydrophobicContact CE2-CE1 4.27Å; F121-L148 HydrophobicContact CB-CD1 4.12Å; F121-L148 HydrophobicContact CB-CD2 4.13Å; F121-L148 HydrophobicContact CD2-CD1 4.41Å
122	N	93	Very high	96	Very high	43 Å²	43	35.8 Å²	35.8	23%	0.23	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	146.3	175.9	-80.7	-13.3	0	0	0	112.5	D95 K98 G119 L124	D95-N122 WeakPolarHBondContact OD1-CB 3.41Å; D95-N122 PolarHBondContact OD1-ND2 3.01Å; K98-N122 WeakPolarHBondContact CA-O 3.26Å; G119-N122 WeakPolarHBondContact CA-OD1 3.23Å; G119-N122 VanDerWaalsContact O-CB 3.24Å; G119-N122 WeakPolarHBondContact O-CB 3.33Å; G119-N122 PolarHBondContact O-N 3.47Å; G119-N122 VanDerWaalsContact O-N 3.1Å; G119-N122 PolarHBondContact O-ND2 3.11Å; N122-L124 PolarHBondContact O-N 2.71Å
123	G	90.8	Very high	96.1	Very high	35 Å²	35	33.9 Å²	33.9	36%	0.361	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.5	-8.4	176	0	0	0	0	0	115.7	A125	G123-A125 PolarHBondContact O-N 2.66Å
124	L	95.3	Very high	96.1	Very high	5 Å²	5	35.6 Å²	35.6	3%	0.026	19%	0.192	C	C	.	.			trans	-76.3	48.6	-179.1	-65.7	-172.9	0	0	0	114	F97 L100 L103 L106 F121 N122 S126 L127 L148	F97-L124 HydrophobicContact CB-CD1 3.91Å; F97-L124 HydrophobicContact CB-CD2 3.67Å; F97-L124 HydrophobicContact CB-CG 3.92Å; F97-L124 HydrophobicContact CD2-CD1 4.21Å; F97-L124 HydrophobicContact CG-CD1 4.27Å; L100-L124 HydrophobicContact CB-CD2 3.94Å; L100-L124 WeakPolarHBondContact O-CD2 3.35Å; L103-L124 HydrophobicContact CB-CD2 3.95Å; L103-L124 HydrophobicContact CD2-CD1 4.39Å; L103-L124 HydrophobicContact CD2-CD2 3.76Å; L106-L124 HydrophobicContact CD2-CD1 3.94Å; F121-L124 HydrophobicContact CB-CD1 4.06Å; F121-L124 HydrophobicContact CD1-CD1 4.02Å; F121-L124 HydrophobicContact CG-CD1 4.49Å; F121-L124 WeakPolarHBondContact O-CB 3.38Å; F121-L124 WeakPolarHBondContact O-CG 3.49Å; F121-L124 PolarHBondContact O-N 3.23Å; N122-L124 PolarHBondContact O-N 2.71Å; L124-S126 PolarHBondContact O-N 3.06Å; L124-L127 HydrophobicContact CB-CB 4.09Å; L124-L127 HydrophobicContact CB-CD2 4.43Å; L124-L127 HydrophobicContact CD1-CD2 3.99Å; L124-L127 WeakPolarHBondContact O-CB 3.48Å; L124-L127 PolarHBondContact O-N 3.29Å; L124-L148 HydrophobicContact CB-CD2 4.02Å
125	A	92.5	Very high	96.1	Very high	55 Å²	55	28.3 Å²	28.3	46%	0.455	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	3.2	-174.2	0	0	0	0	0	115.7	G123 K150	G123-A125 PolarHBondContact O-N 2.66Å; A125-K150 WeakPolarHBondContact O-CD 3.41Å; A125-K150 WeakPolarHBondContact O-CE 3.48Å; A125-K150 PolarHBondContact O-NZ 2.88Å
126	S	95.9	Very high	96.2	Very high	26 Å²	26	31.2 Å²	31.2	18%	0.182	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.8	-1.5	173.6	-61.1	0	0	0	0	114.1	R101 L103 L124 N128	R101-S126 VanDerWaalsContact O-CB 3.23Å; R101-S126 WeakPolarHBondContact O-CB 3.12Å; R101-S126 PolarHBondContact O-OG 3Å; L103-S126 CarbonylContact O-C 3.55Å; L103-S126 WeakPolarHBondContact O-CB 3.41Å; L124-S126 PolarHBondContact O-N 3.06Å; S126-N128 PolarHBondContact O-N 3.29Å
127	L	97.7	Very high	96.3	Very high	1 Å²	1	31 Å²	31	1%	0.005	17%	0.168	C	C	.	.			trans	-66.8	125.1	-170.1	-168.9	70.7	0	0	0	111.2	L103 L106 L124 L130 L148 K150 L151	L103-L127 HydrophobicContact CD2-CD1 4.36Å; L103-L127 HydrophobicContact CG-CD1 4.37Å; L103-L127 WeakPolarHBondContact O-CA 3.27Å; L103-L127 PolarHBondContact O-N 2.8Å; L106-L127 HydrophobicContact CB-CD1 3.71Å; L124-L127 HydrophobicContact CB-CB 4.09Å; L124-L127 HydrophobicContact CB-CD2 4.43Å; L124-L127 HydrophobicContact CD1-CD2 3.99Å; L124-L127 WeakPolarHBondContact O-CB 3.48Å; L124-L127 PolarHBondContact O-N 3.29Å; L127-L130 HydrophobicContact CD2-CB 4.22Å; L127-L130 HydrophobicContact CD2-CD2 4.5Å; L127-L148 HydrophobicContact CD2-CD2 4.34Å; L127-K150 CarbonylContact O-C 3.46Å; L127-L151 HydrophobicContact CD2-CD1 4.06Å; L127-L151 HydrophobicContact CG-CD1 4.06Å; L127-L151 VanDerWaalsContact O-CA 3.29Å; L127-L151 WeakPolarHBondContact O-CA 3.34Å; L127-L151 PolarHBondContact O-N 3.31Å; L127-L151 VanDerWaalsContact O-N 3.11Å
128	N	98	Very high	96.3	Very high	39 Å²	39	30.6 Å²	30.6	21%	0.209	17%	0.171	C	C	.	.			trans	-107.9	-40.5	-179	-179.8	94	0	0	0	111.2	E104 S126 K152 E153	E104-N128 WeakPolarHBondContact O-CA 3.48Å; E104-N128 WeakPolarHBondContact O-CB 3.43Å; E104-N128 PolarHBondContact O-N 3.06Å; S126-N128 PolarHBondContact O-N 3.29Å; N128-K152 PolarHBondContact O-N 2.87Å; N128-K152 VanDerWaalsContact OD1-CD 3.32Å; N128-K152 WeakPolarHBondContact OD1-CD 3.43Å; N128-K152 WeakPolarHBondContact OD1-CE 3.45Å; N128-K152 PolarHBondContact OD1-NZ 2.83Å; N128-E153 PolarHBondContact O-N 2.73Å
129	T	98.6	Very high	96.5	Very high	10 Å²	10	28.6 Å²	28.6	6%	0.061	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	126.2	-174.4	-53.4	0	0	0	0	110.8	E104 L106 E153	E104-T129 PolarHBondContact O-N 3.06Å; E104-T129 VanDerWaalsContact O-N 3.09Å; L106-T129 PolarHBondContact N-O 3Å; T129-E153 WeakPolarHBondContact CA-O 3.39Å; T129-E153 HydrophobicContact CG2-CB 3.95Å; T129-E153 WeakPolarHBondContact CG2-OE2 3.35Å; T129-E153 PolarHBondContact OG1-OE2 2.73Å
130	L	98.3	Very high	96.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	116.8	178.4	177.2	56.3	0	0	0	110.4	L106 L108 F121 L127 L132 F145 L151 E153 L154 W155	L106-L130 HydrophobicContact CB-CD1 4.12Å; L106-L130 HydrophobicContact CD2-CD1 4Å; L106-L130 HydrophobicContact CG-CD1 3.98Å; L108-L130 HydrophobicContact CD1-CD1 4.29Å; F121-L130 HydrophobicContact CD2-CD2 4.29Å; F121-L130 HydrophobicContact CE1-CD1 4.14Å; F121-L130 HydrophobicContact CE1-CD2 4.39Å; F121-L130 HydrophobicContact CE2-CD2 3.89Å; F121-L130 HydrophobicContact CZ-CD1 4.19Å; F121-L130 HydrophobicContact CZ-CD2 3.95Å; L127-L130 HydrophobicContact CD2-CB 4.22Å; L127-L130 HydrophobicContact CD2-CD2 4.5Å; L130-L132 HydrophobicContact CD1-CD1 4.5Å; L130-L132 HydrophobicContact CD1-CG 4.24Å; L130-L132 HydrophobicContact CD2-CD1 4.07Å; L130-L132 HydrophobicContact CG-CD1 4.14Å; L130-L132 HydrophobicContact CG-CG 4.19Å; L130-F145 HydrophobicContact CD2-CE1 4.2Å; L130-L151 HydrophobicContact CB-CD1 3.78Å; L130-E153 PolarHBondContact N-O 3.1Å; L130-L154 HydrophobicContact CB-CD1 4.25Å; L130-L154 HydrophobicContact CD2-CD1 4.04Å; L130-L154 HydrophobicContact CG-CD1 4.12Å; L130-W155 PolarHBondContact O-N 2.69Å
131	E	98.6	Very high	96.5	Very high	23 Å²	23	29.6 Å²	29.6	11%	0.107	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	118.8	176.3	-64.5	168.1	-152.8	0	0	111.7	Q85 L106 Q107 L108 S109 F133 W155	Q85-E131 PolarHBondContact NE2-OE2 3.03Å; L106-E131 PolarHBondContact O-N 2.81Å; Q107-E131 HydrophobicContact CG-CG 4.49Å; Q107-E131 WeakPolarHBondContact CG-OE2 3.01Å; Q107-E131 VanDerWaalsContact NE2-CD 3.31Å; Q107-E131 PolarHBondContact NE2-OE1 2.88Å; Q107-E131 PolarHBondContact NE2-OE2 3.33Å; L108-E131 CarbonylContact C-O 3.59Å; L108-E131 WeakPolarHBondContact CA-O 3.36Å; L108-E131 WeakPolarHBondContact CB-O 3.26Å; L108-E131 PolarHBondContact N-O 3.11Å; S109-E131 PolarHBondContact N-O 3.19Å; S109-E131 PolarHBondContact OG-OE2 3.31Å; S109-E131 VanDerWaalsContact OG-OE2 3.11Å; E131-F133 HydrophobicContact CB-CD1 3.9Å; E131-F133 HydrophobicContact CB-CE1 3.85Å; E131-F133 HydrophobicContact CG-CD1 4.16Å; E131-F133 HydrophobicContact CG-CE1 3.8Å; E131-F133 VanDerWaalsContact OE2-CE1 3.28Å; E131-F133 WeakPolarHBondContact OE2-CE1 3.36Å; E131-W155 HydrophobicContact CG-CB 4.35Å; E131-W155 HydrophobicContact CG-CG 4.21Å
132	L	98.1	Very high	96.2	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.19	C	C	.	.			trans	-124.7	13.3	176.9	-71.6	169.4	0	0	0	112.1	I92 L108 I113 I116 F121 L130 N135 W155 L156 N159	I92-L132 HydrophobicContact CD1-CD2 4.41Å; L108-L132 HydrophobicContact CB-CD2 3.89Å; L108-L132 HydrophobicContact CD1-CD2 4.1Å; I113-L132 HydrophobicContact CD1-CD2 4.26Å; I116-L132 HydrophobicContact CD1-CD1 3.86Å; I116-L132 HydrophobicContact CD1-CD2 3.81Å; I116-L132 HydrophobicContact CD1-CG 4.5Å; F121-L132 HydrophobicContact CZ-CD1 4.28Å; L130-L132 HydrophobicContact CD1-CD1 4.5Å; L130-L132 HydrophobicContact CD1-CG 4.24Å; L130-L132 HydrophobicContact CD2-CD1 4.07Å; L130-L132 HydrophobicContact CG-CD1 4.14Å; L130-L132 HydrophobicContact CG-CG 4.19Å; L132-N135 WeakPolarHBondContact O-CB 3.25Å; L132-N135 PolarHBondContact O-ND2 2.97Å; L132-W155 CarbonylContact C-O 3.23Å; L132-W155 WeakPolarHBondContact CA-O 3.37Å; L132-W155 PolarHBondContact N-O 2.87Å; L132-L156 HydrophobicContact CB-CD2 3.85Å; L132-L156 HydrophobicContact CD1-CD2 4.08Å; L132-N159 PolarHBondContact O-ND2 2.82Å
133	F	98.3	Very high	96	Very high	39 Å²	39	32.5 Å²	32.5	17%	0.171	19%	0.191	C	C	.	.			trans	-67	161.8	-178.5	64.2	-100.1	0	0	0	114.7	S109 K110 E131 N135 W155 R157	S109-F133 CarbonylContact C-O 3.1Å; S109-F133 WeakPolarHBondContact CA-O 3.49Å; S109-F133 VanDerWaalsContact CB-CD2 3.41Å; S109-F133 VanDerWaalsContact CB-CE2 3.45Å; S109-F133 VanDerWaalsContact CB-CG 3.43Å; S109-F133 WeakPolarHBondContact CB-O 3.28Å; S109-F133 WeakPolarHBondContact OG-CE1 3.33Å; S109-F133 VanDerWaalsContact OG-CZ 3.26Å; S109-F133 WeakPolarHBondContact OG-CZ 3.47Å; K110-F133 PolarHBondContact N-O 3.25Å; E131-F133 HydrophobicContact CB-CD1 3.9Å; E131-F133 HydrophobicContact CB-CE1 3.85Å; E131-F133 HydrophobicContact CG-CD1 4.16Å; E131-F133 HydrophobicContact CG-CE1 3.8Å; E131-F133 VanDerWaalsContact OE2-CE1 3.28Å; E131-F133 WeakPolarHBondContact OE2-CE1 3.36Å; F133-N135 PolarHBondContact O-N 2.82Å; F133-N135 PolarHBondContact O-ND2 3.13Å; F133-W155 HydrophobicContact CD1-CB 4Å; F133-W155 PolarHBondContact N-O 2.93Å; F133-W155 VanDerWaalsContact N-O 3.13Å; F133-R157 VanDerWaalsContact CA-O 3.24Å; F133-R157 WeakPolarHBondContact CA-O 3.35Å; F133-R157 HydrophobicContact CB-CG 3.5Å; F133-R157 VanDerWaalsContact CB-O 3.3Å; F133-R157 WeakPolarHBondContact CB-O 3.32Å; F133-R157 HydrophobicContact CG-CG 4.27Å
134	D	98.3	Very high	96	Very high	36 Å²	36	31 Å²	31	19%	0.193	17%	0.174	C	C	.	.	S	Bend	trans	52.2	50.9	-177.7	-60.6	-27.9	0	0	0	112.3	K110 N111 R157 N158	K110-D134 VanDerWaalsContact CA-O 3.26Å; K110-D134 WeakPolarHBondContact CA-O 3.47Å; K110-D134 HydrophobicContact CB-CB 4.36Å; K110-D134 HydrophobicContact CG-CB 3.7Å; K110-D134 WeakPolarHBondContact CG-OD2 3.49Å; K110-D134 PolarHBondContact N-O 3Å; N111-D134 PolarHBondContact N-O 3Å; D134-R157 PolarHBondContact N-O 2.81Å; D134-R157 VanDerWaalsContact N-O 3.11Å; D134-R157 IonicContact OD1-NH2 2.67Å; D134-N158 WeakPolarHBondContact OD1-CB 3.42Å; D134-N158 PolarHBondContact OD1-ND2 2.65Å
135	N	98.5	Very high	95.7	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.173	C	C	.	.	S	Bend	trans	-122.7	-159.4	-178.9	-92.5	-69.4	0	0	0	111.8	L108 N111 H112 I113 L132 F133 N159	L108-N135 PolarHBondContact O-ND2 3.45Å; N111-N135 VanDerWaalsContact CA-OD1 3.3Å; N111-N135 WeakPolarHBondContact CA-OD1 3.33Å; N111-N135 WeakPolarHBondContact CB-OD1 3.39Å; N111-N135 PolarHBondContact N-OD1 3.27Å; N111-N135 PolarHBondContact O-OD1 3.06Å; H112-N135 PolarHBondContact N-OD1 3.04Å; I113-N135 HydrophobicContact CB-CB 4.39Å; I113-N135 VanDerWaalsContact CB-OD1 3.27Å; I113-N135 WeakPolarHBondContact CB-OD1 3.45Å; I113-N135 WeakPolarHBondContact CG1-OD1 3Å; I113-N135 PolarHBondContact N-OD1 3.04Å; L132-N135 WeakPolarHBondContact O-CB 3.25Å; L132-N135 PolarHBondContact O-ND2 2.97Å; F133-N135 PolarHBondContact O-N 2.82Å; F133-N135 PolarHBondContact O-ND2 3.13Å; N135-N159 VanDerWaalsContact CA-OD1 3.32Å; N135-N159 WeakPolarHBondContact CA-OD1 3.32Å; N135-N159 WeakPolarHBondContact CB-OD1 3.37Å
136	R	98.1	Very high	95.4	Very high	140 Å²	140	31.1 Å²	31.1	53%	0.528	17%	0.166	S	C	.	.			trans	-125.4	23.1	-174.8	-56.7	-63.2	-179	-137	5.2	112.8	I113 R114 T138 N159	I113-R136 CarbonylContact O-C 3.49Å; I113-R136 VanDerWaalsContact O-CA 3.26Å; I113-R136 WeakPolarHBondContact O-CA 3.05Å; I113-R136 WeakPolarHBondContact O-CB 3.3Å; I113-R136 PolarHBondContact O-N 2.9Å; R114-R136 HydrophobicContact CB-CB 4.23Å; R136-T138 PolarHBondContact O-N 3.09Å; R136-N159 PolarHBondContact N-OD1 3.1Å
137	L	98	Very high	94.6	Very high	4 Å²	4	38.3 Å²	38.3	2%	0.021	19%	0.19	C	C	.	.			trans	-70.3	123.1	178.8	-61.3	173.4	0	0	0	110.8	I113 I116 L156 N159 P160 I161	I113-L137 HydrophobicContact CG2-CD2 4.03Å; I113-L137 PolarHBondContact O-N 3.16Å; I113-L137 VanDerWaalsContact O-N 3.16Å; I116-L137 HydrophobicContact CD1-CD1 4.26Å; I116-L137 HydrophobicContact CD1-CD2 4.12Å; I116-L137 HydrophobicContact CG1-CD2 4.11Å; L137-L156 HydrophobicContact CD1-CD2 3.91Å; L137-N159 HydrophobicContact CB-CB 4.3Å; L137-N159 WeakPolarHBondContact CB-OD1 3.4Å; L137-N159 PolarHBondContact N-OD1 3.13Å; L137-P160 CarbonylContact O-C 3.13Å; L137-P160 VanDerWaalsContact O-C 3.26Å; L137-P160 VanDerWaalsContact O-CD 3.23Å; L137-P160 WeakPolarHBondContact O-CD 3.49Å; L137-P160 WeakPolarHBondContact O-CG 3.43Å; L137-I161 HydrophobicContact CB-CG1 4.49Å; L137-I161 WeakPolarHBondContact O-CG1 3.24Å; L137-I161 PolarHBondContact O-N 2.83Å
138	T	97.1	Very high	94.3	Very high	58 Å²	58	38.4 Å²	38.4	36%	0.356	19%	0.191	S	C	.	.	S	Bend	trans	-91.9	-16.4	175.3	51.9	0	0	0	0	113.5	R136 P160 I161 E162	R136-T138 PolarHBondContact O-N 3.09Å; T138-P160 WeakPolarHBondContact CA-O 3.47Å; T138-P160 HydrophobicContact CG2-CG 4.44Å; T138-I161 WeakPolarHBondContact O-CA 3.09Å; T138-E162 PolarHBondContact O-N 3.38Å
139	T	96.4	Very high	93.9	Very high	82 Å²	82	40.9 Å²	40.9	50%	0.503	21%	0.211	S	C	.	.	S	Bend	trans	-139.2	162.2	177.8	58	0	0	0	0	110.7
140	I	96.3	Very high	93.8	Very high	7 Å²	7	45.5 Å²	45.5	4%	0.036	23%	0.23	C	C	.	.			trans	-81.6	122.3	173.8	-66.6	160.5	0	0	0	108.9	N142 F145 I161 I164 A168 F169	I140-N142 VanDerWaalsContact C-N 3.25Å; I140-N142 PolarHBondContact O-N 3.32Å; I140-F145 HydrophobicContact CG2-CE2 3.85Å; I140-I161 HydrophobicContact CG1-CD1 4.06Å; I140-I161 HydrophobicContact CG1-CG2 4.31Å; I140-I164 HydrophobicContact CD1-CB 4.11Å; I140-I164 HydrophobicContact CD1-CG1 3.84Å; I140-I164 HydrophobicContact CD1-CG2 3.74Å; I140-A168 HydrophobicContact CD1-CB 4.28Å; I140-A168 HydrophobicContact CG2-CB 4.36Å; I140-F169 HydrophobicContact CD1-CE1 4.36Å; I140-F169 HydrophobicContact CD1-CE2 4.15Å; I140-F169 HydrophobicContact CD1-CZ 3.59Å; I140-F169 HydrophobicContact CG1-CZ 4.34Å; I140-F169 HydrophobicContact CG2-CD1 4.47Å; I140-F169 HydrophobicContact CG2-CE1 3.85Å; I140-F169 HydrophobicContact CG2-CZ 4.16Å
141	P	93.5	Very high	93.7	Very high	17 Å²	17	45.5 Å²	45.5	11%	0.11	23%	0.23	C	C	.	.			trans	-81.9	67.9	-176	34.7	-36.4	0	0	0	111.1	I116 G143 A144 F145	I116-P141 HydrophobicContact CB-CB 4.16Å; I116-P141 HydrophobicContact CB-CG 4.33Å; I116-P141 HydrophobicContact CD1-CG 4.24Å; P141-G143 VanDerWaalsContact C-N 3.25Å; P141-G143 PolarHBondContact O-N 2.92Å; P141-A144 HydrophobicContact CB-CB 3.97Å; P141-A144 HydrophobicContact CG-CB 4.4Å; P141-A144 WeakPolarHBondContact O-CB 3.07Å; P141-A144 PolarHBondContact O-N 3.23Å; P141-F145 HydrophobicContact CG-CE1 4.34Å; P141-F145 HydrophobicContact CG-CE2 4.27Å; P141-F145 HydrophobicContact CG-CZ 3.82Å
142	N	88.3	Confident	93.7	Very high	83 Å²	83	48.6 Å²	48.6	44%	0.444	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-52.7	-38	-176.5	64.2	-13.4	0	0	0	113.9	I140 A144 F145 A168	I140-N142 VanDerWaalsContact C-N 3.25Å; I140-N142 PolarHBondContact O-N 3.32Å; N142-A144 VanDerWaalsContact C-N 3.31Å; N142-A144 PolarHBondContact O-N 3.43Å; N142-F145 PolarHBondContact O-N 2.9Å; N142-A168 WeakPolarHBondContact CB-O 3.44Å
143	G	88.9	Confident	93.8	Very high	23 Å²	23	50.2 Å²	50.2	24%	0.237	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-74	-11.2	175.5	0	0	0	0	0	115.5	P141	P141-G143 VanDerWaalsContact C-N 3.25Å; P141-G143 PolarHBondContact O-N 2.92Å
144	A	91.3	Very high	93.8	Very high	2 Å²	2	48.4 Å²	48.4	2%	0.017	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-82	-23.7	172.8	0	0	0	0	0	112.3	I116 F121 P141 N142 E146	I116-A144 HydrophobicContact CB-CB 4.41Å; I116-A144 HydrophobicContact CG2-CB 3.52Å; F121-A144 HydrophobicContact CD2-CB 4.01Å; F121-A144 WeakPolarHBondContact CD2-O 3.42Å; F121-A144 HydrophobicContact CE2-CB 4.13Å; P141-A144 HydrophobicContact CB-CB 3.97Å; P141-A144 HydrophobicContact CG-CB 4.4Å; P141-A144 WeakPolarHBondContact O-CB 3.07Å; P141-A144 PolarHBondContact O-N 3.23Å; N142-A144 VanDerWaalsContact C-N 3.31Å; N142-A144 PolarHBondContact O-N 3.43Å; A144-E146 PolarHBondContact O-N 2.85Å
145	F	89.6	Confident	93.8	Very high	1 Å²	1	49.3 Å²	49.3	0%	0.004	24%	0.244	C	C	.	.	S	Bend	trans	-84.7	15.6	-175.9	-53.1	-46.4	0	0	0	114.4	F121 L130 I140 P141 N142 L148 L154 V172	F121-F145 HydrophobicContact CD2-CD1 4.38Å; F121-F145 HydrophobicContact CE2-CD1 4.41Å; F121-F145 HydrophobicContact CE2-CE1 4.27Å; L130-F145 HydrophobicContact CD2-CE1 4.2Å; I140-F145 HydrophobicContact CG2-CE2 3.85Å; P141-F145 HydrophobicContact CG-CE1 4.34Å; P141-F145 HydrophobicContact CG-CE2 4.27Å; P141-F145 HydrophobicContact CG-CZ 3.82Å; N142-F145 PolarHBondContact O-N 2.9Å; F145-L148 HydrophobicContact CB-CD1 4.36Å; F145-L148 HydrophobicContact CD1-CD1 4.28Å; F145-L154 HydrophobicContact CE1-CD1 4.2Å; F145-L154 HydrophobicContact CE1-CD2 4.3Å; F145-L154 HydrophobicContact CE2-CD2 4.19Å; F145-L154 HydrophobicContact CZ-CD1 4.32Å; F145-L154 HydrophobicContact CZ-CD2 3.93Å; F145-V172 HydrophobicContact CB-CG1 3.96Å
146	E	85.7	Confident	93.8	Very high	63 Å²	63	49.3 Å²	49.3	29%	0.294	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	141.7	-177.1	-150.2	172.4	-159	0	0	111.9	A144 L148	A144-E146 PolarHBondContact O-N 2.85Å; E146-L148 PolarHBondContact O-N 3.19Å
147	Y	79.6	Confident	93.8	Very high	176 Å²	176	45.7 Å²	45.7	69%	0.69	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.6	9.9	179.6	-48	-68.6	0	0	0	117.4	S149	Y147-S149 PolarHBondContact O-N 2.92Å
148	L	91.7	Very high	93.8	Very high	4 Å²	4	47.8 Å²	47.8	2%	0.021	24%	0.241	C	C	.	.			trans	-76.5	51.1	178.1	-63.3	-176.6	0	0	0	113.8	F121 L124 L127 F145 E146 K150 L151 V172	F121-L148 HydrophobicContact CB-CD1 4.12Å; F121-L148 HydrophobicContact CB-CD2 4.13Å; F121-L148 HydrophobicContact CD2-CD1 4.41Å; L124-L148 HydrophobicContact CB-CD2 4.02Å; L127-L148 HydrophobicContact CD2-CD2 4.34Å; F145-L148 HydrophobicContact CB-CD1 4.36Å; F145-L148 HydrophobicContact CD1-CD1 4.28Å; E146-L148 PolarHBondContact O-N 3.19Å; L148-K150 PolarHBondContact O-N 3.17Å; L148-L151 HydrophobicContact CB-CB 4.14Å; L148-L151 HydrophobicContact CD1-CD2 4.25Å; L148-L151 WeakPolarHBondContact O-CB 3.26Å; L148-L151 PolarHBondContact O-N 3.28Å; L148-V172 HydrophobicContact CB-CG1 3.86Å
149	S	89.7	Confident	93.8	Very high	90 Å²	90	45.2 Å²	45.2	63%	0.629	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-6.4	-169	61.4	0	0	0	0	117	Y147 S174	Y147-S149 PolarHBondContact O-N 2.92Å; S149-S174 WeakPolarHBondContact O-CB 3.39Å
150	K	95.4	Very high	93.9	Very high	108 Å²	108	42.5 Å²	42.5	47%	0.47	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108	-3.5	173.1	-65.9	-169.7	-163.3	149.3	0	114	A125 L127 L148 K152	A125-K150 WeakPolarHBondContact O-CD 3.41Å; A125-K150 WeakPolarHBondContact O-CE 3.48Å; A125-K150 PolarHBondContact O-NZ 2.88Å; L127-K150 CarbonylContact O-C 3.46Å; L148-K150 PolarHBondContact O-N 3.17Å; K150-K152 PolarHBondContact O-N 2.95Å
151	L	97.4	Very high	94	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.207	C	C	.	.			trans	-65.6	122.3	-176.7	-172	73.3	0	0	0	109.3	L127 L130 L148 L154 V172 S174 L175	L127-L151 HydrophobicContact CD2-CD1 4.06Å; L127-L151 HydrophobicContact CG-CD1 4.06Å; L127-L151 VanDerWaalsContact O-CA 3.29Å; L127-L151 WeakPolarHBondContact O-CA 3.34Å; L127-L151 PolarHBondContact O-N 3.31Å; L127-L151 VanDerWaalsContact O-N 3.11Å; L130-L151 HydrophobicContact CB-CD1 3.78Å; L148-L151 HydrophobicContact CB-CB 4.14Å; L148-L151 HydrophobicContact CD1-CD2 4.25Å; L148-L151 WeakPolarHBondContact O-CB 3.26Å; L148-L151 PolarHBondContact O-N 3.28Å; L151-L154 HydrophobicContact CD2-CB 4.44Å; L151-V172 HydrophobicContact CD2-CG1 4.13Å; L151-S174 CarbonylContact O-C 3.44Å; L151-S174 WeakPolarHBondContact O-CB 3.22Å; L151-S174 PolarHBondContact O-OG 3.23Å; L151-L175 HydrophobicContact CD2-CD2 3.97Å; L151-L175 HydrophobicContact CG-CD2 3.87Å; L151-L175 PolarHBondContact O-N 3.5Å
152	K	98.2	Very high	94.1	Very high	88 Å²	88	45.6 Å²	45.6	38%	0.383	22%	0.222	S	C	.	.			trans	-110	-25.9	178.4	-61.2	-175.9	-159.5	126.3	0	112.2	N128 K150 R176 R177	N128-K152 PolarHBondContact O-N 2.87Å; N128-K152 VanDerWaalsContact OD1-CD 3.32Å; N128-K152 WeakPolarHBondContact OD1-CD 3.43Å; N128-K152 WeakPolarHBondContact OD1-CE 3.45Å; N128-K152 PolarHBondContact OD1-NZ 2.83Å; K150-K152 PolarHBondContact O-N 2.95Å; K152-R176 HydrophobicContact CB-CB 4.41Å; K152-R176 HydrophobicContact CB-CG 4.43Å; K152-R176 CarbonylContact O-C 3.12Å; K152-R176 WeakPolarHBondContact O-CA 3.28Å; K152-R176 PolarHBondContact O-N 3.2Å; K152-R177 PolarHBondContact O-N 3.11Å
153	E	98.7	Very high	94.6	Very high	34 Å²	34	43.5 Å²	43.5	16%	0.159	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	121.5	-171	-55.1	-176	145.9	0	0	110.7	N128 T129 L130 R177	N128-E153 PolarHBondContact O-N 2.73Å; T129-E153 WeakPolarHBondContact CA-O 3.39Å; T129-E153 HydrophobicContact CG2-CB 3.95Å; T129-E153 WeakPolarHBondContact CG2-OE2 3.35Å; T129-E153 PolarHBondContact OG1-OE2 2.73Å; L130-E153 PolarHBondContact N-O 3.1Å; E153-R177 WeakPolarHBondContact CA-O 3.43Å; E153-R177 HydrophobicContact CB-CB 4.4Å; E153-R177 HydrophobicContact CG-CB 4.09Å; E153-R177 HydrophobicContact CG-CG 4.16Å; E153-R177 IonicContact OE1-CZ 2.69Å; E153-R177 IonicContact OE1-NH1 3.92Å; E153-R177 PolarHBondContact OE1-NH1 3.05Å
154	L	98.5	Very high	95	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	116.9	179.7	176.4	58.9	0	0	0	109.9	L130 F145 L151 L156 F169 L175 R177 L178 D179	L130-L154 HydrophobicContact CB-CD1 4.25Å; L130-L154 HydrophobicContact CD2-CD1 4.04Å; L130-L154 HydrophobicContact CG-CD1 4.12Å; F145-L154 HydrophobicContact CE1-CD1 4.2Å; F145-L154 HydrophobicContact CE1-CD2 4.3Å; F145-L154 HydrophobicContact CE2-CD2 4.19Å; F145-L154 HydrophobicContact CZ-CD1 4.32Å; F145-L154 HydrophobicContact CZ-CD2 3.93Å; L151-L154 HydrophobicContact CD2-CB 4.44Å; L154-L156 HydrophobicContact CD1-CD1 4.32Å; L154-L156 HydrophobicContact CD1-CG 4.17Å; L154-L156 HydrophobicContact CD2-CD1 3.92Å; L154-L156 HydrophobicContact CG-CD1 3.97Å; L154-L156 HydrophobicContact CG-CG 4.15Å; L154-F169 HydrophobicContact CD2-CD1 4.1Å; L154-F169 HydrophobicContact CD2-CE1 4.05Å; L154-L175 HydrophobicContact CB-CD1 4.27Å; L154-L175 HydrophobicContact CB-CD2 3.86Å; L154-L175 HydrophobicContact CD2-CD1 4.26Å; L154-R177 PolarHBondContact N-O 3.2Å; L154-L178 HydrophobicContact CB-CD1 4.17Å; L154-L178 HydrophobicContact CD2-CD1 4.05Å; L154-L178 HydrophobicContact CG-CD1 4.12Å; L154-D179 PolarHBondContact O-N 3Å
155	W	98.6	Very high	95.2	Very high	56 Å²	56	44.7 Å²	44.7	21%	0.212	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	105.4	-175.8	-49.9	88.6	0	0	0	110.2	L130 E131 L132 F133 D179 Y202	L130-W155 PolarHBondContact O-N 2.69Å; E131-W155 HydrophobicContact CG-CB 4.35Å; E131-W155 HydrophobicContact CG-CG 4.21Å; L132-W155 CarbonylContact C-O 3.23Å; L132-W155 WeakPolarHBondContact CA-O 3.37Å; L132-W155 PolarHBondContact N-O 2.87Å; F133-W155 HydrophobicContact CD1-CB 4Å; F133-W155 PolarHBondContact N-O 2.93Å; F133-W155 VanDerWaalsContact N-O 3.13Å; W155-D179 HydrophobicContact CD2-CB 4.23Å; W155-D179 HydrophobicContact CE3-CB 3.37Å; W155-D179 HydrophobicContact CZ3-CB 3.84Å; W155-Y202 HydrophobicContact CZ3-CE1 4.46Å
156	L	98.2	Very high	95.6	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.237	C	C	.	.			trans	-114.2	0.3	-176.9	-77.3	165.3	0	0	0	113.4	L132 L137 L154 N159 F169 D179 L180	L132-L156 HydrophobicContact CB-CD2 3.85Å; L132-L156 HydrophobicContact CD1-CD2 4.08Å; L137-L156 HydrophobicContact CD1-CD2 3.91Å; L154-L156 HydrophobicContact CD1-CD1 4.32Å; L154-L156 HydrophobicContact CD1-CG 4.17Å; L154-L156 HydrophobicContact CD2-CD1 3.92Å; L154-L156 HydrophobicContact CG-CD1 3.97Å; L154-L156 HydrophobicContact CG-CG 4.15Å; L156-N159 PolarHBondContact O-ND2 3.09Å; L156-F169 HydrophobicContact CD1-CE1 4.08Å; L156-D179 CarbonylContact C-O 3.03Å; L156-D179 WeakPolarHBondContact CA-O 3.23Å; L156-D179 PolarHBondContact N-O 2.9Å; L156-L180 HydrophobicContact CB-CD2 3.89Å; L156-L180 HydrophobicContact CD1-CD2 3.94Å
157	R	98.1	Very high	96.1	Very high	64 Å²	64	50.7 Å²	50.7	24%	0.242	25%	0.247	C	C	.	.			trans	-49.1	150.3	-177.6	51.6	159.7	-85.7	101.6	9.9	115.5	F133 D134 N159 D179 G181 E182	F133-R157 VanDerWaalsContact CA-O 3.24Å; F133-R157 WeakPolarHBondContact CA-O 3.35Å; F133-R157 HydrophobicContact CB-CG 3.5Å; F133-R157 VanDerWaalsContact CB-O 3.3Å; F133-R157 WeakPolarHBondContact CB-O 3.32Å; F133-R157 HydrophobicContact CG-CG 4.27Å; D134-R157 PolarHBondContact N-O 2.81Å; D134-R157 VanDerWaalsContact N-O 3.11Å; D134-R157 IonicContact OD1-NH2 2.67Å; R157-N159 VanDerWaalsContact C-N 3.28Å; R157-N159 PolarHBondContact O-N 3.3Å; R157-D179 WeakPolarHBondContact CB-OD2 3.38Å; R157-D179 WeakPolarHBondContact CD-OD2 3.18Å; R157-D179 WeakPolarHBondContact CG-OD2 3.24Å; R157-D179 PolarHBondContact N-O 3.45Å; R157-G181 CarbonylContact C-O 3.59Å; R157-G181 WeakPolarHBondContact CA-O 3.2Å; R157-G181 VanDerWaalsContact CB-O 3.25Å; R157-G181 WeakPolarHBondContact CB-O 3.4Å; R157-E182 IonicContact CZ-OE1 3.59Å; R157-E182 IonicContact NH1-OE1 3.4Å; R157-E182 PolarHBondContact NH1-OE1 2.95Å; R157-E182 IonicContact NH2-OE1 3.64Å; R157-E182 PolarHBondContact NH2-OE1 3.04Å
158	N	98	Very high	96.9	Very high	47 Å²	47	42.4 Å²	42.4	25%	0.251	22%	0.215	S	C	.	.	S	Bend	trans	52.9	41.6	179.4	-165.7	42	0	0	0	113.3	D134 G181 E182 K184	D134-N158 WeakPolarHBondContact OD1-CB 3.42Å; D134-N158 PolarHBondContact OD1-ND2 2.65Å; N158-G181 PolarHBondContact N-O 3.15Å; N158-E182 HydrophobicContact CB-CB 3.84Å; N158-K184 PolarHBondContact OD1-NZ 3.45Å
159	N	98.4	Very high	97.1	Very high	4 Å²	4	42.3 Å²	42.3	2%	0.021	21%	0.214	C	C	.	.			trans	-101.9	153	163.9	-85.8	-84.6	0	0	0	110.6	L132 N135 R136 L137 L156 R157 I161 L183	L132-N159 PolarHBondContact O-ND2 2.82Å; N135-N159 VanDerWaalsContact CA-OD1 3.32Å; N135-N159 WeakPolarHBondContact CA-OD1 3.32Å; N135-N159 WeakPolarHBondContact CB-OD1 3.37Å; R136-N159 PolarHBondContact N-OD1 3.1Å; L137-N159 HydrophobicContact CB-CB 4.3Å; L137-N159 WeakPolarHBondContact CB-OD1 3.4Å; L137-N159 PolarHBondContact N-OD1 3.13Å; L156-N159 PolarHBondContact O-ND2 3.09Å; R157-N159 VanDerWaalsContact C-N 3.28Å; R157-N159 PolarHBondContact O-N 3.3Å; N159-I161 HydrophobicContact CB-CD1 4.04Å; N159-I161 HydrophobicContact CB-CG1 3.88Å; N159-I161 PolarHBondContact O-N 2.74Å; N159-L183 HydrophobicContact CB-CD2 4.1Å; N159-L183 VanDerWaalsContact O-CD2 3.22Å; N159-L183 WeakPolarHBondContact O-CD2 3.33Å
160	P	97.9	Very high	97.3	Very high	26 Å²	26	40.9 Å²	40.9	17%	0.169	20%	0.199	C	C	.	.			trans	-76.5	39.9	176.6	34.2	-37	0	0	0	113.3	L137 T138 E162	L137-P160 CarbonylContact O-C 3.13Å; L137-P160 VanDerWaalsContact O-C 3.26Å; L137-P160 VanDerWaalsContact O-CD 3.23Å; L137-P160 WeakPolarHBondContact O-CD 3.49Å; L137-P160 WeakPolarHBondContact O-CG 3.43Å; T138-P160 WeakPolarHBondContact CA-O 3.47Å; T138-P160 HydrophobicContact CG2-CG 4.44Å; P160-E162 PolarHBondContact O-N 2.8Å
161	I	98.1	Very high	97.1	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.203	C	C	.	.			trans	-66.9	128.6	-177.2	-64.6	170.2	0	0	0	110	L137 T138 I140 N159 S163 L183 R185 L186	L137-I161 HydrophobicContact CB-CG1 4.49Å; L137-I161 WeakPolarHBondContact O-CG1 3.24Å; L137-I161 PolarHBondContact O-N 2.83Å; T138-I161 WeakPolarHBondContact O-CA 3.09Å; I140-I161 HydrophobicContact CG1-CD1 4.06Å; I140-I161 HydrophobicContact CG1-CG2 4.31Å; N159-I161 HydrophobicContact CB-CD1 4.04Å; N159-I161 HydrophobicContact CB-CG1 3.88Å; N159-I161 PolarHBondContact O-N 2.74Å; I161-S163 WeakPolarHBondContact CG2-O 3.2Å; I161-L183 HydrophobicContact CB-CD1 4.3Å; I161-L183 HydrophobicContact CB-CD2 4.19Å; I161-L183 HydrophobicContact CD1-CD1 4.29Å; I161-L183 HydrophobicContact CD1-CD2 3.99Å; I161-L183 HydrophobicContact CG1-CD2 4.27Å; I161-R185 CarbonylContact O-C 3.43Å; I161-L186 WeakPolarHBondContact O-CA 3.42Å; I161-L186 PolarHBondContact O-N 2.88Å
162	E	96.9	Very high	97	Very high	88 Å²	88	42.6 Å²	42.6	41%	0.411	20%	0.203	S	C	.	.			trans	-95.5	-27.9	-172.2	-60.6	-179.1	173.1	0	0	112.5	T138 P160 R185 S187	T138-E162 PolarHBondContact O-N 3.38Å; P160-E162 PolarHBondContact O-N 2.8Å; E162-R185 HydrophobicContact CG-CB 4.4Å; E162-R185 IonicContact OE1-NH1 3.81Å; E162-S187 PolarHBondContact O-N 3.33Å; E162-S187 PolarHBondContact O-OG 3.19Å
163	S	96.8	Very high	96.8	Very high	39 Å²	39	41.2 Å²	41.2	27%	0.273	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	156.6	175.6	57.8	0	0	0	0	114.2	I161 Y188	I161-S163 WeakPolarHBondContact CG2-O 3.2Å; S163-Y188 CarbonylContact C-O 3.4Å; S163-Y188 VanDerWaalsContact CA-O 3.23Å; S163-Y188 WeakPolarHBondContact CA-O 3.41Å
164	I	97.9	Very high	96.7	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	103.1	170	-51.5	-177.6	0	0	0	108.9	I140 A168 F169 L180 L186 Y188 I189 S190 A193 F194	I140-I164 HydrophobicContact CD1-CB 4.11Å; I140-I164 HydrophobicContact CD1-CG1 3.84Å; I140-I164 HydrophobicContact CD1-CG2 3.74Å; I164-A168 HydrophobicContact CG2-CB 4.02Å; I164-F169 HydrophobicContact CG2-CE2 4.2Å; I164-L180 HydrophobicContact CD1-CD1 4.1Å; I164-L186 HydrophobicContact CD1-CD2 4.12Å; I164-L186 HydrophobicContact CG1-CD1 3.94Å; I164-L186 HydrophobicContact CG1-CD2 4.43Å; I164-Y188 PolarHBondContact N-O 3.38Å; I164-I189 HydrophobicContact CB-CG1 4.44Å; I164-I189 HydrophobicContact CB-CG2 4.31Å; I164-I189 HydrophobicContact CD1-CD1 4.25Å; I164-I189 HydrophobicContact CD1-CG1 4.1Å; I164-I189 HydrophobicContact CG1-CG1 4.33Å; I164-S190 WeakPolarHBondContact O-CB 3.16Å; I164-S190 PolarHBondContact O-N 3.45Å; I164-A193 HydrophobicContact CB-CB 4.35Å; I164-A193 HydrophobicContact CG2-CB 3.61Å; I164-F194 HydrophobicContact CD1-CZ 4.49Å
165	P	96.9	Very high	96.7	Very high	51 Å²	51	40.9 Å²	40.9	33%	0.331	21%	0.205	S	C	.	.			trans	-74.2	165.6	-178	31.4	-35.8	0	0	0	112.3	A168 A193	P165-A168 HydrophobicContact CG-CB 4.15Å; P165-A168 WeakPolarHBondContact O-CB 3.45Å; P165-A168 PolarHBondContact O-N 3.41Å; P165-A193 WeakPolarHBondContact O-CA 3.28Å
166	S	96.8	Very high	96.7	Very high	60 Å²	60	44.1 Å²	44.1	42%	0.42	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	141.6	174.3	-33.7	0	0	0	0	111	A168 S190	S166-A168 PolarHBondContact O-N 2.94Å; S166-S190 PolarHBondContact OG-OG 3.41Å
167	Y	95.9	Very high	96.7	Very high	130 Å²	130	49.3 Å²	49.3	51%	0.51	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	22.6	179.6	-53.7	-75.6	0	0	0	115.3	F169 N170 G192 E195	Y167-F169 PolarHBondContact O-N 3.44Å; Y167-N170 HydrophobicContact CD1-CB 4.42Å; Y167-N170 PolarHBondContact O-N 2.99Å; Y167-N170 PolarHBondContact O-OD1 3.49Å; Y167-G192 PolarHBondContact N-O 2.87Å; Y167-E195 HydrophobicContact CD1-CB 3.41Å; Y167-E195 VanDerWaalsContact CD1-CB 3.41Å; Y167-E195 HydrophobicContact CD1-CG 4.24Å; Y167-E195 HydrophobicContact CE1-CB 3.51Å; Y167-E195 HydrophobicContact CE1-CG 3.85Å; Y167-E195 HydrophobicContact CG-CB 4.42Å
168	A	96.4	Very high	96.7	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.008	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51	-30.4	-173.5	0	0	0	0	0	114.9	I140 N142 I164 P165 S166	I140-A168 HydrophobicContact CD1-CB 4.28Å; I140-A168 HydrophobicContact CG2-CB 4.36Å; N142-A168 WeakPolarHBondContact CB-O 3.44Å; I164-A168 HydrophobicContact CG2-CB 4.02Å; P165-A168 HydrophobicContact CG-CB 4.15Å; P165-A168 WeakPolarHBondContact O-CB 3.45Å; P165-A168 PolarHBondContact O-N 3.41Å; S166-A168 PolarHBondContact O-N 2.94Å
169	F	96.1	Very high	96.8	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.009	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.3	10.1	-176.7	-52	-78.3	0	0	0	114	I140 L154 L156 I164 Y167 R171 V172 L178 L180 F194 L197	I140-F169 HydrophobicContact CD1-CE1 4.36Å; I140-F169 HydrophobicContact CD1-CE2 4.15Å; I140-F169 HydrophobicContact CD1-CZ 3.59Å; I140-F169 HydrophobicContact CG1-CZ 4.34Å; I140-F169 HydrophobicContact CG2-CD1 4.47Å; I140-F169 HydrophobicContact CG2-CE1 3.85Å; I140-F169 HydrophobicContact CG2-CZ 4.16Å; L154-F169 HydrophobicContact CD2-CD1 4.1Å; L154-F169 HydrophobicContact CD2-CE1 4.05Å; L156-F169 HydrophobicContact CD1-CE1 4.08Å; I164-F169 HydrophobicContact CG2-CE2 4.2Å; Y167-F169 PolarHBondContact O-N 3.44Å; F169-R171 PolarHBondContact O-N 3.06Å; F169-V172 HydrophobicContact CB-CG2 4.26Å; F169-V172 VanDerWaalsContact O-CG2 3.29Å; F169-V172 WeakPolarHBondContact O-CG2 3.29Å; F169-V172 PolarHBondContact O-N 2.92Å; F169-L178 HydrophobicContact CD1-CD1 4.4Å; F169-L178 HydrophobicContact CD1-CD2 4.39Å; F169-L178 HydrophobicContact CD2-CD2 4Å; F169-L178 HydrophobicContact CE1-CD1 3.93Å; F169-L178 HydrophobicContact CE1-CD2 4.28Å; F169-L178 HydrophobicContact CE2-CD2 3.87Å; F169-L178 HydrophobicContact CG-CD2 4.26Å; F169-L178 HydrophobicContact CZ-CD1 4.15Å; F169-L178 HydrophobicContact CZ-CD2 4.01Å; F169-L180 HydrophobicContact CE2-CD1 4.06Å; F169-L180 HydrophobicContact CZ-CD1 3.86Å; F169-L180 HydrophobicContact CZ-CD2 4.03Å; F169-L180 HydrophobicContact CZ-CG 4.48Å; F169-F194 HydrophobicContact CE2-CE1 4.45Å; F169-L197 HydrophobicContact CB-CD1 3.91Å; F169-L197 HydrophobicContact CB-CD2 3.78Å; F169-L197 HydrophobicContact CB-CG 4.05Å; F169-L197 HydrophobicContact CD2-CD1 4.03Å; F169-L197 HydrophobicContact CG-CD1 4.21Å
170	N	93.7	Very high	96.8	Very high	60 Å²	60	44.1 Å²	44.1	32%	0.321	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-14.5	-171.5	80.4	-12.2	0	0	0	114.8	Y167 V172	Y167-N170 HydrophobicContact CD1-CB 4.42Å; Y167-N170 PolarHBondContact O-N 2.99Å; Y167-N170 PolarHBondContact O-OD1 3.49Å; N170-V172 VanDerWaalsContact C-N 3.34Å
171	R	92.4	Very high	96.7	Very high	144 Å²	144	43 Å²	43	54%	0.543	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-12.9	175.2	-57	-50.7	-170.8	180	4	113.7	F169 P173	F169-R171 PolarHBondContact O-N 3.06Å; R171-P173 WeakPolarHBondContact O-CD 3.44Å
172	V	94.9	Very high	96.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.215	C	C	.	.			trans	-125.3	57.6	-179.5	-72	0	0	0	0	112.9	F145 L148 L151 F169 N170 S174 L175	F145-V172 HydrophobicContact CB-CG1 3.96Å; L148-V172 HydrophobicContact CB-CG1 3.86Å; L151-V172 HydrophobicContact CD2-CG1 4.13Å; F169-V172 HydrophobicContact CB-CG2 4.26Å; F169-V172 VanDerWaalsContact O-CG2 3.29Å; F169-V172 WeakPolarHBondContact O-CG2 3.29Å; F169-V172 PolarHBondContact O-N 2.92Å; N170-V172 VanDerWaalsContact C-N 3.34Å; V172-S174 PolarHBondContact O-N 3.01Å; V172-L175 HydrophobicContact CB-CD1 4.33Å; V172-L175 HydrophobicContact CB-CG 4.11Å; V172-L175 HydrophobicContact CG2-CD1 3.59Å; V172-L175 HydrophobicContact CG2-CG 3.94Å; V172-L175 WeakPolarHBondContact O-CG 3.2Å; V172-L175 PolarHBondContact O-N 2.84Å; V172-L175 VanDerWaalsContact O-N 3.09Å
173	P	94.6	Very high	96.8	Very high	60 Å²	60	40.7 Å²	40.7	39%	0.39	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-0.6	177.3	33	-38.4	0	0	0	113.9	R171 G196 N199	R171-P173 WeakPolarHBondContact O-CD 3.44Å; P173-G196 WeakPolarHBondContact CB-O 3.38Å; P173-N199 PolarHBondContact O-ND2 3.32Å
174	S	96	Very high	96.7	Very high	27 Å²	27	44 Å²	44	19%	0.189	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-11.5	171.6	54.7	0	0	0	0	113.9	S149 L151 V172	S149-S174 WeakPolarHBondContact O-CB 3.39Å; L151-S174 CarbonylContact O-C 3.44Å; L151-S174 WeakPolarHBondContact O-CB 3.22Å; L151-S174 PolarHBondContact O-OG 3.23Å; V172-S174 PolarHBondContact O-N 3.01Å
175	L	97.8	Very high	96.7	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	23%	0.233	C	C	.	.			trans	-57.9	142.8	-179.6	-79.1	-179.1	0	0	0	112.3	L151 L154 V172 L197 N199 L200	L151-L175 HydrophobicContact CD2-CD2 3.97Å; L151-L175 HydrophobicContact CG-CD2 3.87Å; L151-L175 PolarHBondContact O-N 3.5Å; L154-L175 HydrophobicContact CB-CD1 4.27Å; L154-L175 HydrophobicContact CB-CD2 3.86Å; L154-L175 HydrophobicContact CD2-CD1 4.26Å; V172-L175 HydrophobicContact CB-CD1 4.33Å; V172-L175 HydrophobicContact CB-CG 4.11Å; V172-L175 HydrophobicContact CG2-CD1 3.59Å; V172-L175 HydrophobicContact CG2-CG 3.94Å; V172-L175 WeakPolarHBondContact O-CG 3.2Å; V172-L175 PolarHBondContact O-N 2.84Å; V172-L175 VanDerWaalsContact O-N 3.09Å; L175-L197 HydrophobicContact CB-CD2 4.17Å; L175-L197 HydrophobicContact CD1-CD2 4.1Å; L175-N199 CarbonylContact O-C 3.38Å; L175-L200 HydrophobicContact CB-CD1 4.05Å; L175-L200 PolarHBondContact O-N 2.96Å
176	R	98.4	Very high	96.7	Very high	123 Å²	123	49.8 Å²	49.8	46%	0.464	22%	0.222	S	C	.	.	S	Bend	trans	-125	-30.9	175.5	-63.8	-168.2	177.5	-153.1	-2.9	112.3	K152 R201 Y202	K152-R176 HydrophobicContact CB-CB 4.41Å; K152-R176 HydrophobicContact CB-CG 4.43Å; K152-R176 CarbonylContact O-C 3.12Å; K152-R176 WeakPolarHBondContact O-CA 3.28Å; K152-R176 PolarHBondContact O-N 3.2Å; R176-R201 WeakPolarHBondContact O-CA 3.17Å; R176-R201 WeakPolarHBondContact O-CB 3.1Å; R176-R201 PolarHBondContact O-N 2.81Å; R176-Y202 PolarHBondContact O-N 2.75Å
177	R	98.8	Very high	96.6	Very high	109 Å²	109	51.8 Å²	51.8	41%	0.411	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	129.3	173.9	-51.9	-160.7	162.5	98.2	0.2	110.3	K152 E153 L154 Y202	K152-R177 PolarHBondContact O-N 3.11Å; E153-R177 WeakPolarHBondContact CA-O 3.43Å; E153-R177 HydrophobicContact CB-CB 4.4Å; E153-R177 HydrophobicContact CG-CB 4.09Å; E153-R177 HydrophobicContact CG-CG 4.16Å; E153-R177 IonicContact OE1-CZ 2.69Å; E153-R177 IonicContact OE1-NH1 3.92Å; E153-R177 PolarHBondContact OE1-NH1 3.05Å; L154-R177 PolarHBondContact N-O 3.2Å; R177-Y202 WeakPolarHBondContact CA-O 3.36Å; R177-Y202 HydrophobicContact CB-CD1 4.09Å
178	L	98.8	Very high	96.6	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	114.8	176.5	176.9	57	0	0	0	108.6	L154 F169 L180 L197 L200 Y202 L203 N204	L154-L178 HydrophobicContact CB-CD1 4.17Å; L154-L178 HydrophobicContact CD2-CD1 4.05Å; L154-L178 HydrophobicContact CG-CD1 4.12Å; F169-L178 HydrophobicContact CD1-CD1 4.4Å; F169-L178 HydrophobicContact CD1-CD2 4.39Å; F169-L178 HydrophobicContact CD2-CD2 4Å; F169-L178 HydrophobicContact CE1-CD1 3.93Å; F169-L178 HydrophobicContact CE1-CD2 4.28Å; F169-L178 HydrophobicContact CE2-CD2 3.87Å; F169-L178 HydrophobicContact CG-CD2 4.26Å; F169-L178 HydrophobicContact CZ-CD1 4.15Å; F169-L178 HydrophobicContact CZ-CD2 4.01Å; L178-L180 HydrophobicContact CD1-CD1 4.18Å; L178-L180 HydrophobicContact CD1-CD2 4.42Å; L178-L180 HydrophobicContact CD1-CG 4.02Å; L178-L180 HydrophobicContact CD2-CD1 3.82Å; L178-L180 HydrophobicContact CG-CD1 3.82Å; L178-L180 HydrophobicContact CG-CG 4Å; L178-L197 HydrophobicContact CD2-CD1 3.82Å; L178-L200 HydrophobicContact CB-CD1 3.67Å; L178-L200 HydrophobicContact CB-CD2 4.21Å; L178-Y202 PolarHBondContact N-O 2.73Å; L178-L203 HydrophobicContact CB-CD1 4.28Å; L178-L203 HydrophobicContact CD2-CD1 4.2Å; L178-L203 HydrophobicContact CG-CD1 4.17Å; L178-L203 WeakPolarHBondContact O-CA 3.43Å; L178-N204 PolarHBondContact O-N 2.98Å
179	D	98.8	Very high	96.6	Very high	6 Å²	6	53 Å²	53	3%	0.032	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	111.6	177.1	-178.9	9.9	0	0	0	110.9	L154 W155 L156 R157 G181 N204	L154-D179 PolarHBondContact O-N 3Å; W155-D179 HydrophobicContact CD2-CB 4.23Å; W155-D179 HydrophobicContact CE3-CB 3.37Å; W155-D179 HydrophobicContact CZ3-CB 3.84Å; L156-D179 CarbonylContact C-O 3.03Å; L156-D179 WeakPolarHBondContact CA-O 3.23Å; L156-D179 PolarHBondContact N-O 2.9Å; R157-D179 WeakPolarHBondContact CB-OD2 3.38Å; R157-D179 WeakPolarHBondContact CD-OD2 3.18Å; R157-D179 WeakPolarHBondContact CG-OD2 3.24Å; R157-D179 PolarHBondContact N-O 3.45Å; D179-G181 PolarHBondContact OD1-N 2.93Å; D179-N204 HydrophobicContact CB-CB 4.41Å; D179-N204 WeakPolarHBondContact OD1-CB 3.49Å; D179-N204 PolarHBondContact OD1-ND2 2.98Å
180	L	98.3	Very high	96.7	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	25%	0.245	C	C	.	.			trans	-122	30.9	178.1	-66.5	164.8	0	0	0	110.1	L156 I164 F169 L178 L183 F194 L203 N204 L205 C208	L156-L180 HydrophobicContact CB-CD2 3.89Å; L156-L180 HydrophobicContact CD1-CD2 3.94Å; I164-L180 HydrophobicContact CD1-CD1 4.1Å; F169-L180 HydrophobicContact CE2-CD1 4.06Å; F169-L180 HydrophobicContact CZ-CD1 3.86Å; F169-L180 HydrophobicContact CZ-CD2 4.03Å; F169-L180 HydrophobicContact CZ-CG 4.48Å; L178-L180 HydrophobicContact CD1-CD1 4.18Å; L178-L180 HydrophobicContact CD1-CD2 4.42Å; L178-L180 HydrophobicContact CD1-CG 4.02Å; L178-L180 HydrophobicContact CD2-CD1 3.82Å; L178-L180 HydrophobicContact CG-CD1 3.82Å; L178-L180 HydrophobicContact CG-CG 4Å; L180-L183 HydrophobicContact CB-CD1 3.91Å; L180-L183 HydrophobicContact CD2-CD1 4.05Å; L180-L183 WeakPolarHBondContact O-CD1 3.23Å; L180-L183 VanDerWaalsContact O-CG 3.28Å; L180-L183 WeakPolarHBondContact O-CG 3.43Å; L180-F194 HydrophobicContact CD1-CE1 4Å; L180-L203 HydrophobicContact CD1-CD1 4.41Å; L180-N204 CarbonylContact C-O 3.31Å; L180-N204 VanDerWaalsContact C-O 3.23Å; L180-N204 VanDerWaalsContact CA-O 3.31Å; L180-N204 WeakPolarHBondContact CA-O 3.46Å; L180-N204 WeakPolarHBondContact CB-O 3.33Å; L180-N204 PolarHBondContact N-O 2.71Å; L180-L205 HydrophobicContact CB-CD2 3.92Å; L180-L205 HydrophobicContact CD1-CD2 4.26Å; L180-C208 PolarHBondContact O-SG 2.82Å
181	G	97.6	Very high	96.7	Very high	2 Å²	2	56.8 Å²	56.8	2%	0.021	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	164.9	177.1	0	0	0	0	0	114.5	R157 N158 D179 L183 N204 G206	R157-G181 CarbonylContact C-O 3.59Å; R157-G181 WeakPolarHBondContact CA-O 3.2Å; R157-G181 VanDerWaalsContact CB-O 3.25Å; R157-G181 WeakPolarHBondContact CB-O 3.4Å; N158-G181 PolarHBondContact N-O 3.15Å; D179-G181 PolarHBondContact OD1-N 2.93Å; G181-L183 PolarHBondContact O-N 2.83Å; G181-L183 VanDerWaalsContact O-N 3.09Å; G181-N204 PolarHBondContact N-O 3.03Å; G181-G206 CarbonylContact C-O 3.59Å; G181-G206 WeakPolarHBondContact CA-O 3.32Å
182	E	97.8	Very high	96.9	Very high	40 Å²	40	50.7 Å²	50.7	19%	0.187	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	23.7	178.9	-71.1	-168.2	-103	0	0	115.5	R157 N158 K184 G206 M207	R157-E182 IonicContact CZ-OE1 3.59Å; R157-E182 IonicContact NH1-OE1 3.4Å; R157-E182 PolarHBondContact NH1-OE1 2.95Å; R157-E182 IonicContact NH2-OE1 3.64Å; R157-E182 PolarHBondContact NH2-OE1 3.04Å; N158-E182 HydrophobicContact CB-CB 3.84Å; E182-K184 PolarHBondContact O-N 3.18Å; E182-K184 WeakPolarHBondContact OE2-CE 3.33Å; E182-K184 IonicContact OE2-NZ 2.63Å; E182-K184 PolarHBondContact OE2-NZ 3.42Å; E182-G206 PolarHBondContact N-O 3.07Å; E182-M207 WeakPolarHBondContact CA-O 3.31Å; E182-M207 HydrophobicContact CG-CB 3.93Å; E182-M207 HydrophobicContact CG-CG 4.47Å; E182-M207 HydrophobicContact CG-SD 3.91Å
183	L	97.8	Very high	97.1	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.24	C	C	.	.			trans	-76.4	68	175.9	-57.7	-178.9	0	0	0	110.8	N159 I161 L180 G181 R185 L186 C208	N159-L183 HydrophobicContact CB-CD2 4.1Å; N159-L183 VanDerWaalsContact O-CD2 3.22Å; N159-L183 WeakPolarHBondContact O-CD2 3.33Å; I161-L183 HydrophobicContact CB-CD1 4.3Å; I161-L183 HydrophobicContact CB-CD2 4.19Å; I161-L183 HydrophobicContact CD1-CD1 4.29Å; I161-L183 HydrophobicContact CD1-CD2 3.99Å; I161-L183 HydrophobicContact CG1-CD2 4.27Å; L180-L183 HydrophobicContact CB-CD1 3.91Å; L180-L183 HydrophobicContact CD2-CD1 4.05Å; L180-L183 WeakPolarHBondContact O-CD1 3.23Å; L180-L183 VanDerWaalsContact O-CG 3.28Å; L180-L183 WeakPolarHBondContact O-CG 3.43Å; G181-L183 PolarHBondContact O-N 2.83Å; G181-L183 VanDerWaalsContact O-N 3.09Å; L183-R185 PolarHBondContact O-N 3.07Å; L183-L186 HydrophobicContact CB-CB 4.01Å; L183-L186 HydrophobicContact CB-CD2 4.39Å; L183-L186 HydrophobicContact CD1-CD2 4.34Å; L183-L186 WeakPolarHBondContact O-CB 3.39Å; L183-L186 PolarHBondContact O-N 3.47Å; L183-C208 PolarHBondContact N-SG 2.9Å
184	K	95.9	Very high	97.2	Very high	110 Å²	110	47.9 Å²	47.9	48%	0.478	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-7.2	-171.2	-66.7	148.7	-169.6	158.3	0	115.4	N158 E182	N158-K184 PolarHBondContact OD1-NZ 3.45Å; E182-K184 PolarHBondContact O-N 3.18Å; E182-K184 WeakPolarHBondContact OE2-CE 3.33Å; E182-K184 IonicContact OE2-NZ 2.63Å; E182-K184 PolarHBondContact OE2-NZ 3.42Å
185	R	96.4	Very high	97.3	Very high	153 Å²	153	50.1 Å²	50.1	58%	0.577	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108	0.9	174.4	-70	-165.3	179.3	-171.8	-2.6	114.1	I161 E162 L183 S187	I161-R185 CarbonylContact O-C 3.43Å; E162-R185 HydrophobicContact CG-CB 4.4Å; E162-R185 IonicContact OE1-NH1 3.81Å; L183-R185 PolarHBondContact O-N 3.07Å; R185-S187 PolarHBondContact O-N 2.89Å
186	L	97.3	Very high	97.1	Very high	19 Å²	19	51.5 Å²	51.5	10%	0.099	24%	0.244	C	C	.	.			trans	-64	120.4	-176.6	-176.9	53.6	0	0	0	110.3	I161 I164 L183 Y188 I189 C208 L210	I161-L186 WeakPolarHBondContact O-CA 3.42Å; I161-L186 PolarHBondContact O-N 2.88Å; I164-L186 HydrophobicContact CD1-CD2 4.12Å; I164-L186 HydrophobicContact CG1-CD1 3.94Å; I164-L186 HydrophobicContact CG1-CD2 4.43Å; L183-L186 HydrophobicContact CB-CB 4.01Å; L183-L186 HydrophobicContact CB-CD2 4.39Å; L183-L186 HydrophobicContact CD1-CD2 4.34Å; L183-L186 WeakPolarHBondContact O-CB 3.39Å; L183-L186 PolarHBondContact O-N 3.47Å; L186-Y188 WeakPolarHBondContact CD1-O 3.43Å; L186-I189 HydrophobicContact CD1-CG1 4.31Å; L186-I189 HydrophobicContact CD2-CD1 3.98Å; L186-I189 HydrophobicContact CD2-CG1 4Å; L186-I189 HydrophobicContact CG-CG1 4.34Å; L186-C208 HydrophobicContact CD2-CB 4.33Å; L186-L210 HydrophobicContact CD2-CD2 4.12Å
187	S	94.6	Very high	97	Very high	101 Å²	101	45.7 Å²	45.7	71%	0.706	22%	0.222	S	C	*	.			trans	-114	-22.6	-174.6	67.3	0	0	0	0	113.4	E162 R185	E162-S187 PolarHBondContact O-N 3.33Å; E162-S187 PolarHBondContact O-OG 3.19Å; R185-S187 PolarHBondContact O-N 2.89Å
188	Y	95.4	Very high	96.8	Very high	130 Å²	130	43 Å²	43	51%	0.51	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	131.9	-175.4	176.1	-106.8	0	0	0	111.8	S163 I164 L186 S190	S163-Y188 CarbonylContact C-O 3.4Å; S163-Y188 VanDerWaalsContact CA-O 3.23Å; S163-Y188 WeakPolarHBondContact CA-O 3.41Å; I164-Y188 PolarHBondContact N-O 3.38Å; L186-Y188 WeakPolarHBondContact CD1-O 3.43Å; Y188-S190 WeakPolarHBondContact OH-CA 3.29Å; Y188-S190 PolarHBondContact OH-OG 2.89Å
189	I	97.6	Very high	96.7	Very high	27 Å²	27	45.8 Å²	45.8	14%	0.138	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	132.1	165.3	-57.5	-179.5	0	0	0	106.8	I164 L186 A193 F194 L210 P214	I164-I189 HydrophobicContact CB-CG1 4.44Å; I164-I189 HydrophobicContact CB-CG2 4.31Å; I164-I189 HydrophobicContact CD1-CD1 4.25Å; I164-I189 HydrophobicContact CD1-CG1 4.1Å; I164-I189 HydrophobicContact CG1-CG1 4.33Å; L186-I189 HydrophobicContact CD1-CG1 4.31Å; L186-I189 HydrophobicContact CD2-CD1 3.98Å; L186-I189 HydrophobicContact CD2-CG1 4Å; L186-I189 HydrophobicContact CG-CG1 4.34Å; I189-A193 HydrophobicContact CG2-CB 3.62Å; I189-F194 HydrophobicContact CG2-CE2 4.1Å; I189-F194 HydrophobicContact CG2-CZ 4.47Å; I189-L210 HydrophobicContact CD1-CD1 4.23Å; I189-L210 HydrophobicContact CD1-CD2 3.78Å; I189-P214 HydrophobicContact CB-CB 4.25Å; I189-P214 HydrophobicContact CD1-CB 4.1Å; I189-P214 HydrophobicContact CD1-CG 4.01Å; I189-P214 HydrophobicContact CG2-CB 3.81Å
190	S	97.3	Very high	96.7	Very high	10 Å²	10	45.5 Å²	45.5	7%	0.07	23%	0.233	C	C	.	.			trans	-78.7	145.9	176.1	-168.6	0	0	0	0	112.3	I164 S166 Y188 G192 A193	I164-S190 WeakPolarHBondContact O-CB 3.16Å; I164-S190 PolarHBondContact O-N 3.45Å; S166-S190 PolarHBondContact OG-OG 3.41Å; Y188-S190 WeakPolarHBondContact OH-CA 3.29Å; Y188-S190 PolarHBondContact OH-OG 2.89Å; S190-G192 PolarHBondContact O-N 3.05Å; S190-G192 VanDerWaalsContact O-N 3.09Å; S190-A193 WeakPolarHBondContact O-CB 3.26Å; S190-A193 PolarHBondContact O-N 3.05Å
191	E	95.3	Very high	96.7	Very high	132 Å²	132	50.8 Å²	50.8	62%	0.617	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.4	-34	169.8	-71.4	-58.9	120.7	0	0	113.5	N215	E191-N215 PolarHBondContact O-ND2 2.84Å; E191-N215 WeakPolarHBondContact OE2-CB 3.4Å
192	G	96.8	Very high	96.8	Very high	15 Å²	15	52.6 Å²	52.6	16%	0.155	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95	13.5	176.8	0	0	0	0	0	114.6	Y167 S190 F194 E195	Y167-G192 PolarHBondContact N-O 2.87Å; S190-G192 PolarHBondContact O-N 3.05Å; S190-G192 VanDerWaalsContact O-N 3.09Å; G192-F194 PolarHBondContact O-N 3.31Å; G192-E195 WeakPolarHBondContact O-CB 3.2Å; G192-E195 PolarHBondContact O-N 3.01Å
193	A	97.9	Very high	96.8	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-44.2	-170.4	0	0	0	0	0	114	I164 P165 I189 S190	I164-A193 HydrophobicContact CB-CB 4.35Å; I164-A193 HydrophobicContact CG2-CB 3.61Å; P165-A193 WeakPolarHBondContact O-CA 3.28Å; I189-A193 HydrophobicContact CG2-CB 3.62Å; S190-A193 WeakPolarHBondContact O-CB 3.26Å; S190-A193 PolarHBondContact O-N 3.05Å
194	F	97.6	Very high	96.8	Very high	1 Å²	1	51.8 Å²	51.8	0%	0.004	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96	13	-174.5	-56.3	-67.3	0	0	0	113.4	I164 F169 L180 I189 G192 L197 L203 L205 P214 L216 L219	I164-F194 HydrophobicContact CD1-CZ 4.49Å; F169-F194 HydrophobicContact CE2-CE1 4.45Å; L180-F194 HydrophobicContact CD1-CE1 4Å; I189-F194 HydrophobicContact CG2-CE2 4.1Å; I189-F194 HydrophobicContact CG2-CZ 4.47Å; G192-F194 PolarHBondContact O-N 3.31Å; F194-L197 HydrophobicContact CB-CD1 4.31Å; F194-L197 HydrophobicContact CD1-CD1 4.18Å; F194-L197 WeakPolarHBondContact O-CB 3.37Å; F194-L197 PolarHBondContact O-N 3.31Å; F194-L203 HydrophobicContact CE1-CD1 4.23Å; F194-L203 HydrophobicContact CE1-CD2 4.37Å; F194-L203 HydrophobicContact CZ-CD2 4.42Å; F194-L205 HydrophobicContact CE2-CD1 4.47Å; F194-L205 HydrophobicContact CZ-CD1 4.06Å; F194-L205 HydrophobicContact CZ-CD2 4.21Å; F194-P214 HydrophobicContact CE2-CB 4.35Å; F194-P214 HydrophobicContact CE2-CG 4.1Å; F194-L216 HydrophobicContact CD2-CD2 4.2Å; F194-L216 HydrophobicContact CE2-CD2 4.14Å; F194-L219 HydrophobicContact CB-CD1 4.38Å; F194-L219 HydrophobicContact CB-CD2 4.01Å; F194-L219 HydrophobicContact CB-CG 4.25Å; F194-L219 HydrophobicContact CG-CD1 4.43Å
195	E	96.5	Very high	96.9	Very high	74 Å²	74	46.5 Å²	46.5	35%	0.346	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	140.1	-178.4	-90.7	-67.8	-176.1	0	0	113.7	Y167 G192 L197 P218	Y167-E195 HydrophobicContact CD1-CB 3.41Å; Y167-E195 VanDerWaalsContact CD1-CB 3.41Å; Y167-E195 HydrophobicContact CD1-CG 4.24Å; Y167-E195 HydrophobicContact CE1-CB 3.51Å; Y167-E195 HydrophobicContact CE1-CG 3.85Å; Y167-E195 HydrophobicContact CG-CB 4.42Å; G192-E195 WeakPolarHBondContact O-CB 3.2Å; G192-E195 PolarHBondContact O-N 3.01Å; E195-L197 VanDerWaalsContact C-N 3.33Å; E195-P218 HydrophobicContact CG-CG 4.22Å
196	G	94.3	Very high	97	Very high	30 Å²	30	39.5 Å²	39.5	31%	0.309	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.2	-5.7	-173.6	0	0	0	0	0	116.1	P173 S198	P173-G196 WeakPolarHBondContact CB-O 3.38Å; G196-S198 PolarHBondContact O-N 2.99Å
197	L	96.4	Very high	97	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.005	23%	0.229	C	C	.	.			trans	-82.9	38	-178.8	-66.6	-178.1	0	0	0	114.6	F169 L175 L178 F194 E195 N199 L200 L219	F169-L197 HydrophobicContact CB-CD1 3.91Å; F169-L197 HydrophobicContact CB-CD2 3.78Å; F169-L197 HydrophobicContact CB-CG 4.05Å; F169-L197 HydrophobicContact CD2-CD1 4.03Å; F169-L197 HydrophobicContact CG-CD1 4.21Å; L175-L197 HydrophobicContact CB-CD2 4.17Å; L175-L197 HydrophobicContact CD1-CD2 4.1Å; L178-L197 HydrophobicContact CD2-CD1 3.82Å; F194-L197 HydrophobicContact CB-CD1 4.31Å; F194-L197 HydrophobicContact CD1-CD1 4.18Å; F194-L197 WeakPolarHBondContact O-CB 3.37Å; F194-L197 PolarHBondContact O-N 3.31Å; E195-L197 VanDerWaalsContact C-N 3.33Å; L197-N199 PolarHBondContact O-N 2.8Å; L197-L200 HydrophobicContact CB-CB 4.21Å; L197-L200 HydrophobicContact CD1-CD2 4.33Å; L197-L200 VanDerWaalsContact O-CB 3.31Å; L197-L200 WeakPolarHBondContact O-CB 3.26Å; L197-L200 PolarHBondContact O-N 2.59Å; L197-L219 HydrophobicContact CB-CD2 3.63Å; L197-L219 HydrophobicContact CD1-CD2 4.45Å
198	S	95.1	Very high	97.2	Very high	52 Å²	52	38.9 Å²	38.9	36%	0.364	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	7.7	-174.2	63.6	0	0	0	0	116.2	G196 K221	G196-S198 PolarHBondContact O-N 2.99Å; S198-K221 VanDerWaalsContact O-CD 3.25Å; S198-K221 WeakPolarHBondContact O-CD 3.48Å; S198-K221 WeakPolarHBondContact O-CE 3.35Å; S198-K221 PolarHBondContact O-NZ 3.34Å
199	N	96.8	Very high	97.2	Very high	58 Å²	58	36.1 Å²	36.1	31%	0.31	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.7	2.1	172.1	-62	-62.7	0	0	0	113.4	P173 L175 L197 K221	P173-N199 PolarHBondContact O-ND2 3.32Å; L175-N199 CarbonylContact O-C 3.38Å; L197-N199 PolarHBondContact O-N 2.8Å; N199-K221 PolarHBondContact OD1-NZ 2.81Å
200	L	98.3	Very high	97.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.188	C	C	.	.			trans	-67.3	135.8	177.9	-162.4	76.6	0	0	0	110.2	L175 L178 L197 L203 L219 K221 L222	L175-L200 HydrophobicContact CB-CD1 4.05Å; L175-L200 PolarHBondContact O-N 2.96Å; L178-L200 HydrophobicContact CB-CD1 3.67Å; L178-L200 HydrophobicContact CB-CD2 4.21Å; L197-L200 HydrophobicContact CB-CB 4.21Å; L197-L200 HydrophobicContact CD1-CD2 4.33Å; L197-L200 VanDerWaalsContact O-CB 3.31Å; L197-L200 WeakPolarHBondContact O-CB 3.26Å; L197-L200 PolarHBondContact O-N 2.59Å; L200-L203 HydrophobicContact CD2-CB 3.99Å; L200-L203 HydrophobicContact CD2-CD1 4.32Å; L200-L219 HydrophobicContact CB-CD2 4.1Å; L200-L219 HydrophobicContact CD2-CD1 4.3Å; L200-L219 HydrophobicContact CD2-CD2 3.82Å; L200-K221 CarbonylContact O-C 3.55Å; L200-L222 HydrophobicContact CD2-CD1 4.21Å; L200-L222 HydrophobicContact CG-CD1 4.37Å; L200-L222 WeakPolarHBondContact O-CA 3.15Å; L200-L222 PolarHBondContact O-N 2.99Å
201	R	98.4	Very high	96.9	Very high	112 Å²	112	42.7 Å²	42.7	42%	0.423	22%	0.217	S	C	.	.			trans	-120.4	-33.2	-176.6	-77	177.4	165.5	-107.7	-0.7	112.8	R176 K221 D223 E224	R176-R201 WeakPolarHBondContact O-CA 3.17Å; R176-R201 WeakPolarHBondContact O-CB 3.1Å; R176-R201 PolarHBondContact O-N 2.81Å; R201-K221 WeakPolarHBondContact CG-O 3.05Å; R201-D223 HydrophobicContact CB-CB 4.4Å; R201-D223 VanDerWaalsContact CB-OD2 3.26Å; R201-D223 WeakPolarHBondContact CB-OD2 3.49Å; R201-D223 WeakPolarHBondContact CD-OD2 3.32Å; R201-D223 WeakPolarHBondContact CG-OD2 3.45Å; R201-D223 IonicContact CZ-OD2 3.19Å; R201-D223 IonicContact NE-OD2 2.75Å; R201-D223 IonicContact NH1-OD1 3.94Å; R201-D223 IonicContact NH1-OD2 2.75Å; R201-D223 PolarHBondContact NH1-OD2 3.01Å; R201-D223 WeakPolarHBondContact O-CA 3.33Å; R201-D223 PolarHBondContact O-N 3.21Å; R201-E224 PolarHBondContact O-N 2.86Å
202	Y	98.8	Very high	96.9	Very high	39 Å²	39	43.5 Å²	43.5	15%	0.153	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	126.8	175.4	173.5	-89.9	0	0	0	109.8	W155 R176 R177 L178 N204 E224 W250	W155-Y202 HydrophobicContact CZ3-CE1 4.46Å; R176-Y202 PolarHBondContact O-N 2.75Å; R177-Y202 WeakPolarHBondContact CA-O 3.36Å; R177-Y202 HydrophobicContact CB-CD1 4.09Å; L178-Y202 PolarHBondContact N-O 2.73Å; Y202-N204 HydrophobicContact CE1-CB 3.79Å; Y202-N204 PolarHBondContact OH-ND2 2.86Å; Y202-E224 WeakPolarHBondContact CA-O 3.35Å; Y202-E224 HydrophobicContact CD2-CB 3.94Å; Y202-E224 WeakPolarHBondContact CD2-OE2 3.45Å; Y202-W250 HydrophobicContact CE2-CZ3 4.29Å
203	L	98.8	Very high	96.9	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	129.6	170.8	178.4	60.2	0	0	0	109.9	L178 L180 F194 L200 L205 L216 L219 L222 E224 L225 E226	L178-L203 HydrophobicContact CB-CD1 4.28Å; L178-L203 HydrophobicContact CD2-CD1 4.2Å; L178-L203 HydrophobicContact CG-CD1 4.17Å; L178-L203 WeakPolarHBondContact O-CA 3.43Å; L180-L203 HydrophobicContact CD1-CD1 4.41Å; F194-L203 HydrophobicContact CE1-CD1 4.23Å; F194-L203 HydrophobicContact CE1-CD2 4.37Å; F194-L203 HydrophobicContact CZ-CD2 4.42Å; L200-L203 HydrophobicContact CD2-CB 3.99Å; L200-L203 HydrophobicContact CD2-CD1 4.32Å; L203-L205 HydrophobicContact CD1-CG 4.23Å; L203-L205 HydrophobicContact CD2-CD1 3.89Å; L203-L205 HydrophobicContact CD2-CG 4.3Å; L203-L205 HydrophobicContact CG-CD1 4.25Å; L203-L205 HydrophobicContact CG-CG 4.12Å; L203-L216 HydrophobicContact CD2-CD2 3.86Å; L203-L219 HydrophobicContact CD2-CD1 3.57Å; L203-L222 HydrophobicContact CB-CD1 3.78Å; L203-L222 HydrophobicContact CB-CD2 4.45Å; L203-E224 PolarHBondContact N-O 3.06Å; L203-E224 VanDerWaalsContact N-O 3.13Å; L203-L225 HydrophobicContact CB-CD1 4.22Å; L203-L225 HydrophobicContact CD2-CD1 4.23Å; L203-L225 HydrophobicContact CG-CD1 4.27Å; L203-E226 PolarHBondContact O-N 2.96Å
204	N	98.7	Very high	96.8	Very high	23 Å²	23	44.7 Å²	44.7	12%	0.123	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	122.1	171.1	-173.1	-18.4	0	0	0	110.6	L178 D179 L180 G181 Y202 G206 E226	L178-N204 PolarHBondContact O-N 2.98Å; D179-N204 HydrophobicContact CB-CB 4.41Å; D179-N204 WeakPolarHBondContact OD1-CB 3.49Å; D179-N204 PolarHBondContact OD1-ND2 2.98Å; L180-N204 CarbonylContact C-O 3.31Å; L180-N204 VanDerWaalsContact C-O 3.23Å; L180-N204 VanDerWaalsContact CA-O 3.31Å; L180-N204 WeakPolarHBondContact CA-O 3.46Å; L180-N204 WeakPolarHBondContact CB-O 3.33Å; L180-N204 PolarHBondContact N-O 2.71Å; G181-N204 PolarHBondContact N-O 3.03Å; Y202-N204 HydrophobicContact CE1-CB 3.79Å; Y202-N204 PolarHBondContact OH-ND2 2.86Å; N204-G206 PolarHBondContact OD1-N 3.29Å; N204-E226 HydrophobicContact CB-CB 4.15Å; N204-E226 HydrophobicContact CB-CG 4.47Å; N204-E226 WeakPolarHBondContact OD1-CG 3.29Å
205	L	98	Very high	96.7	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.234	C	C	.	.			trans	-127.6	20.1	173.8	-69	171.4	0	0	0	110.9	L180 F194 L203 C208 L210 P214 E226 M227 N230	L180-L205 HydrophobicContact CB-CD2 3.92Å; L180-L205 HydrophobicContact CD1-CD2 4.26Å; F194-L205 HydrophobicContact CE2-CD1 4.47Å; F194-L205 HydrophobicContact CZ-CD1 4.06Å; F194-L205 HydrophobicContact CZ-CD2 4.21Å; L203-L205 HydrophobicContact CD1-CG 4.23Å; L203-L205 HydrophobicContact CD2-CD1 3.89Å; L203-L205 HydrophobicContact CD2-CG 4.3Å; L203-L205 HydrophobicContact CG-CD1 4.25Å; L203-L205 HydrophobicContact CG-CG 4.12Å; L205-C208 WeakPolarHBondContact O-CB 3.36Å; L205-L210 HydrophobicContact CB-CD1 4.06Å; L205-L210 HydrophobicContact CD1-CD1 4.47Å; L205-P214 HydrophobicContact CD1-CG 3.98Å; L205-E226 PolarHBondContact N-O 2.97Å; L205-M227 HydrophobicContact CB-CG 4.5Å; L205-N230 PolarHBondContact O-ND2 2.97Å
206	G	97.8	Very high	96.7	Very high	5 Å²	5	43.2 Å²	43.2	5%	0.052	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	148.2	-179.3	0	0	0	0	0	113.2	G181 E182 N204 C208 E226 S228	G181-G206 CarbonylContact C-O 3.59Å; G181-G206 WeakPolarHBondContact CA-O 3.32Å; E182-G206 PolarHBondContact N-O 3.07Å; N204-G206 PolarHBondContact OD1-N 3.29Å; G206-C208 VanDerWaalsContact C-N 3.27Å; G206-C208 PolarHBondContact O-N 3.4Å; G206-C208 PolarHBondContact O-SG 2.87Å; G206-C208 VanDerWaalsContact O-SG 3.38Å; G206-E226 PolarHBondContact N-O 2.83Å; G206-S228 CarbonylContact C-O 3.6Å; G206-S228 WeakPolarHBondContact CA-O 3.49Å
207	M	97.5	Very high	96.7	Very high	107 Å²	107	45.7 Å²	45.7	53%	0.527	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	32.1	-179.6	-52.3	-175.3	-172.2	0	0	114.5	E182 S228	E182-M207 WeakPolarHBondContact CA-O 3.31Å; E182-M207 HydrophobicContact CG-CB 3.93Å; E182-M207 HydrophobicContact CG-CG 4.47Å; E182-M207 HydrophobicContact CG-SD 3.91Å; M207-S228 PolarHBondContact N-O 3.46Å
208	C	97.4	Very high	96.7	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.23	C	C	.	.	S	Bend	trans	-104.2	10.5	-178.5	-68.1	0	0	0	0	113.8	L180 L183 L186 L205 G206 L210 N230	L180-C208 PolarHBondContact O-SG 2.82Å; L183-C208 PolarHBondContact N-SG 2.9Å; L186-C208 HydrophobicContact CD2-CB 4.33Å; L205-C208 WeakPolarHBondContact O-CB 3.36Å; G206-C208 VanDerWaalsContact C-N 3.27Å; G206-C208 PolarHBondContact O-N 3.4Å; G206-C208 PolarHBondContact O-SG 2.87Å; G206-C208 VanDerWaalsContact O-SG 3.38Å; C208-L210 HydrophobicContact CB-CD1 4.44Å; C208-L210 HydrophobicContact CB-CD2 4.26Å; C208-L210 HydrophobicContact CB-CG 3.96Å; C208-L210 PolarHBondContact O-N 2.84Å; C208-N230 WeakPolarHBondContact CA-OD1 3.48Å; C208-N230 PolarHBondContact N-OD1 3.46Å
209	N	95.6	Very high	96.8	Very high	73 Å²	73	44.1 Å²	44.1	39%	0.39	21%	0.212	S	C	.	.			trans	56.4	24.4	-179	-63.2	-50.4	0	0	0	114.9	K211 N230 Q231	N209-K211 PolarHBondContact O-N 3.06Å; N209-N230 PolarHBondContact N-OD1 2.95Å; N209-Q231 PolarHBondContact OD1-NE2 2.99Å; N209-Q231 VanDerWaalsContact OD1-NE2 3.16Å
210	L	95.9	Very high	96.7	Very high	18 Å²	18	44.7 Å²	44.7	9%	0.094	22%	0.218	C	C	.	.			trans	-65	131.3	-177.9	-56.9	-179.4	0	0	0	111	L186 I189 L205 C208 N230 Q231 L232	L186-L210 HydrophobicContact CD2-CD2 4.12Å; I189-L210 HydrophobicContact CD1-CD1 4.23Å; I189-L210 HydrophobicContact CD1-CD2 3.78Å; L205-L210 HydrophobicContact CB-CD1 4.06Å; L205-L210 HydrophobicContact CD1-CD1 4.47Å; C208-L210 HydrophobicContact CB-CD1 4.44Å; C208-L210 HydrophobicContact CB-CD2 4.26Å; C208-L210 HydrophobicContact CB-CG 3.96Å; C208-L210 PolarHBondContact O-N 2.84Å; L210-N230 HydrophobicContact CB-CB 4.19Å; L210-N230 PolarHBondContact N-OD1 2.74Å; L210-Q231 CarbonylContact O-C 3.59Å; L210-Q231 VanDerWaalsContact O-C 3.32Å; L210-Q231 WeakPolarHBondContact O-CA 3.05Å; L210-Q231 PolarHBondContact O-N 2.86Å; L210-L232 HydrophobicContact CB-CD2 4.35Å
211	K	94.2	Very high	96.6	Very high	157 Å²	157	49 Å²	49	68%	0.683	24%	0.236	S	C	*	.	S	Bend	trans	-90.1	-21.1	177.3	-63.6	-179	-179.1	178.1	0	113.3	N209	N209-K211 PolarHBondContact O-N 3.06Å
212	E	94.3	Very high	96.6	Very high	149 Å²	149	43.7 Å²	43.7	70%	0.696	22%	0.217	S	C	*	.	S	Bend	trans	-143.5	159.4	-178.8	65	-157.8	154.2	0	0	109.5
213	I	95.8	Very high	96.6	Very high	23 Å²	23	43.5 Å²	43.5	12%	0.118	22%	0.218	C	C	.	.			trans	-83.6	124.8	178.3	-63	164.8	0	0	0	107.4	L216 M227 L232 I235 S239 F240	I213-L216 HydrophobicContact CG2-CD1 4.06Å; I213-L216 HydrophobicContact CG2-CG 4.43Å; I213-M227 HydrophobicContact CD1-CE 3.84Å; I213-M227 HydrophobicContact CG1-CE 3.85Å; I213-M227 HydrophobicContact CG1-SD 4.18Å; I213-M227 HydrophobicContact CG2-CE 4.34Å; I213-M227 HydrophobicContact CG2-SD 4.13Å; I213-L232 HydrophobicContact CD1-CD1 4.35Å; I213-L232 HydrophobicContact CG1-CD1 3.91Å; I213-L232 HydrophobicContact CG1-CD2 4.05Å; I213-I235 HydrophobicContact CD1-CD1 3.96Å; I213-S239 WeakPolarHBondContact CG2-O 3.36Å; I213-F240 HydrophobicContact CD1-CE1 4.03Å; I213-F240 HydrophobicContact CD1-CE2 3.92Å; I213-F240 HydrophobicContact CD1-CZ 3.46Å; I213-F240 VanDerWaalsContact CD1-CZ 3.46Å
214	P	96.4	Very high	96.6	Very high	17 Å²	17	45.5 Å²	45.5	11%	0.11	23%	0.227	C	C	.	.			trans	-69.9	169.7	-179.8	31	-36.5	0	0	0	111.5	I189 F194 L205 L216	I189-P214 HydrophobicContact CB-CB 4.25Å; I189-P214 HydrophobicContact CD1-CB 4.1Å; I189-P214 HydrophobicContact CD1-CG 4.01Å; I189-P214 HydrophobicContact CG2-CB 3.81Å; F194-P214 HydrophobicContact CE2-CB 4.35Å; F194-P214 HydrophobicContact CE2-CG 4.1Å; L205-P214 HydrophobicContact CD1-CG 3.98Å; P214-L216 HydrophobicContact CG-CD2 4.15Å; P214-L216 WeakPolarHBondContact O-CG 3.47Å; P214-L216 PolarHBondContact O-N 2.78Å
215	N	95.9	Very high	96.6	Very high	39 Å²	39	44.4 Å²	44.4	21%	0.209	22%	0.222	C	C	.	.			trans	-61.7	109.6	173.7	178.5	22.5	0	0	0	112.2	E191 I217	E191-N215 PolarHBondContact O-ND2 2.84Å; E191-N215 WeakPolarHBondContact OE2-CB 3.4Å; N215-I217 VanDerWaalsContact OD1-CB 3.29Å; N215-I217 WeakPolarHBondContact OD1-CB 3.46Å; N215-I217 VanDerWaalsContact OD1-CG1 3.28Å; N215-I217 WeakPolarHBondContact OD1-CG1 3.33Å; N215-I217 PolarHBondContact OD1-N 3.24Å
216	L	96.6	Very high	96.6	Very high	5 Å²	5	46.4 Å²	46.4	3%	0.026	23%	0.231	C	C	.	.			trans	-102.2	-0.2	176.7	-57.9	-178.9	0	0	0	113.5	F194 L203 I213 P214 P218 L219 L225 L243	F194-L216 HydrophobicContact CD2-CD2 4.2Å; F194-L216 HydrophobicContact CE2-CD2 4.14Å; L203-L216 HydrophobicContact CD2-CD2 3.86Å; I213-L216 HydrophobicContact CG2-CD1 4.06Å; I213-L216 HydrophobicContact CG2-CG 4.43Å; P214-L216 HydrophobicContact CG-CD2 4.15Å; P214-L216 WeakPolarHBondContact O-CG 3.47Å; P214-L216 PolarHBondContact O-N 2.78Å; L216-P218 VanDerWaalsContact C-N 3.32Å; L216-P218 VanDerWaalsContact O-N 3.15Å; L216-L219 HydrophobicContact CB-CD1 4.35Å; L216-L219 HydrophobicContact CD2-CD1 3.88Å; L216-L219 VanDerWaalsContact O-CB 3.3Å; L216-L219 WeakPolarHBondContact O-CB 3.37Å; L216-L219 PolarHBondContact O-N 3.25Å; L216-L225 HydrophobicContact CD1-CD1 4.3Å; L216-L225 HydrophobicContact CD1-CD2 3.51Å; L216-L243 HydrophobicContact CB-CD1 4.07Å; L216-L243 HydrophobicContact CB-CD2 4.22Å; L216-L243 HydrophobicContact CD1-CD1 3.95Å
217	I	94.6	Very high	96.6	Very high	82 Å²	82	46.2 Å²	46.2	42%	0.421	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-35.9	-174.8	-62.4	170.1	0	0	0	114	N215 L219 V220 K241	N215-I217 VanDerWaalsContact OD1-CB 3.29Å; N215-I217 WeakPolarHBondContact OD1-CB 3.46Å; N215-I217 VanDerWaalsContact OD1-CG1 3.28Å; N215-I217 WeakPolarHBondContact OD1-CG1 3.33Å; N215-I217 PolarHBondContact OD1-N 3.24Å; I217-L219 PolarHBondContact O-N 2.72Å; I217-V220 WeakPolarHBondContact O-CG1 3.4Å; I217-K241 HydrophobicContact CD1-CB 4.43Å; I217-K241 HydrophobicContact CD1-CD 4.19Å; I217-K241 HydrophobicContact CG1-CB 4.26Å
218	P	96.2	Very high	96.6	Very high	19 Å²	19	41.9 Å²	41.9	12%	0.123	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-16	176.1	-24.7	36	0	0	0	115.2	E195 L216 V220	E195-P218 HydrophobicContact CG-CG 4.22Å; L216-P218 VanDerWaalsContact C-N 3.32Å; L216-P218 VanDerWaalsContact O-N 3.15Å; P218-V220 PolarHBondContact O-N 3Å; P218-V220 VanDerWaalsContact O-N 3.07Å
219	L	96.8	Very high	96.6	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.221	C	C	.	.			trans	-88.1	48.5	-172	-56.3	179.4	0	0	0	112.7	F194 L197 L200 L203 L216 I217 K221 L222 L243	F194-L219 HydrophobicContact CB-CD1 4.38Å; F194-L219 HydrophobicContact CB-CD2 4.01Å; F194-L219 HydrophobicContact CB-CG 4.25Å; F194-L219 HydrophobicContact CG-CD1 4.43Å; L197-L219 HydrophobicContact CB-CD2 3.63Å; L197-L219 HydrophobicContact CD1-CD2 4.45Å; L200-L219 HydrophobicContact CB-CD2 4.1Å; L200-L219 HydrophobicContact CD2-CD1 4.3Å; L200-L219 HydrophobicContact CD2-CD2 3.82Å; L203-L219 HydrophobicContact CD2-CD1 3.57Å; L216-L219 HydrophobicContact CB-CD1 4.35Å; L216-L219 HydrophobicContact CD2-CD1 3.88Å; L216-L219 VanDerWaalsContact O-CB 3.3Å; L216-L219 WeakPolarHBondContact O-CB 3.37Å; L216-L219 PolarHBondContact O-N 3.25Å; I217-L219 PolarHBondContact O-N 2.72Å; L219-K221 PolarHBondContact O-N 2.78Å; L219-L222 HydrophobicContact CB-CB 4.21Å; L219-L222 HydrophobicContact CB-CD2 4.46Å; L219-L222 HydrophobicContact CD1-CD2 4.25Å; L219-L222 WeakPolarHBondContact O-CB 3.4Å; L219-L222 PolarHBondContact O-N 2.79Å; L219-L243 HydrophobicContact CB-CD2 4.29Å
220	V	94.9	Very high	96.7	Very high	70 Å²	70	39.7 Å²	39.7	42%	0.424	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	3	-171.9	-59.4	0	0	0	0	116.4	I217 P218 H245	I217-V220 WeakPolarHBondContact O-CG1 3.4Å; P218-V220 PolarHBondContact O-N 3Å; P218-V220 VanDerWaalsContact O-N 3.07Å; V220-H245 PolarHBondContact O-CD2 3.21Å
221	K	96.8	Very high	96.7	Very high	90 Å²	90	42.6 Å²	42.6	39%	0.391	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-130.8	20.8	174.9	-59	-175.4	-161.5	158.6	0	113	S198 N199 L200 R201 L219 D223	S198-K221 VanDerWaalsContact O-CD 3.25Å; S198-K221 WeakPolarHBondContact O-CD 3.48Å; S198-K221 WeakPolarHBondContact O-CE 3.35Å; S198-K221 PolarHBondContact O-NZ 3.34Å; N199-K221 PolarHBondContact OD1-NZ 2.81Å; L200-K221 CarbonylContact O-C 3.55Å; R201-K221 WeakPolarHBondContact CG-O 3.05Å; L219-K221 PolarHBondContact O-N 2.78Å; K221-D223 PolarHBondContact O-N 2.99Å
222	L	98.4	Very high	96.8	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.01	18%	0.184	C	C	.	.			trans	-67.4	117.9	179.1	-161	68.1	0	0	0	109.4	L200 L203 L219 L225 L243 H245 L246	L200-L222 HydrophobicContact CD2-CD1 4.21Å; L200-L222 HydrophobicContact CG-CD1 4.37Å; L200-L222 WeakPolarHBondContact O-CA 3.15Å; L200-L222 PolarHBondContact O-N 2.99Å; L203-L222 HydrophobicContact CB-CD1 3.78Å; L203-L222 HydrophobicContact CB-CD2 4.45Å; L219-L222 HydrophobicContact CB-CB 4.21Å; L219-L222 HydrophobicContact CB-CD2 4.46Å; L219-L222 HydrophobicContact CD1-CD2 4.25Å; L219-L222 WeakPolarHBondContact O-CB 3.4Å; L219-L222 PolarHBondContact O-N 2.79Å; L222-L225 HydrophobicContact CD2-CB 4Å; L222-L225 HydrophobicContact CD2-CD1 4.27Å; L222-L225 HydrophobicContact CD2-CD2 4.33Å; L222-L225 HydrophobicContact CD2-CG 4.43Å; L222-L243 HydrophobicContact CB-CD2 4.34Å; L222-L243 HydrophobicContact CD2-CD2 4.32Å; L222-H245 CarbonylContact O-C 3.54Å; L222-L246 HydrophobicContact CB-CD1 4.31Å; L222-L246 HydrophobicContact CD2-CD1 4.07Å; L222-L246 HydrophobicContact CG-CD1 3.97Å; L222-L246 WeakPolarHBondContact O-CA 3.2Å; L222-L246 PolarHBondContact O-N 3.09Å
223	D	98.1	Very high	96.9	Very high	34 Å²	34	31.2 Å²	31.2	18%	0.182	17%	0.17	C	C	.	.			trans	-90.1	-35.9	176.7	-55.4	-38.3	0	0	0	110.4	R201 K221 Q247 K248	R201-D223 HydrophobicContact CB-CB 4.4Å; R201-D223 VanDerWaalsContact CB-OD2 3.26Å; R201-D223 WeakPolarHBondContact CB-OD2 3.49Å; R201-D223 WeakPolarHBondContact CD-OD2 3.32Å; R201-D223 WeakPolarHBondContact CG-OD2 3.45Å; R201-D223 IonicContact CZ-OD2 3.19Å; R201-D223 IonicContact NE-OD2 2.75Å; R201-D223 IonicContact NH1-OD1 3.94Å; R201-D223 IonicContact NH1-OD2 2.75Å; R201-D223 PolarHBondContact NH1-OD2 3.01Å; R201-D223 WeakPolarHBondContact O-CA 3.33Å; R201-D223 PolarHBondContact O-N 3.21Å; K221-D223 PolarHBondContact O-N 2.99Å; D223-Q247 WeakPolarHBondContact O-CA 3.36Å; D223-Q247 PolarHBondContact O-N 2.92Å; D223-K248 PolarHBondContact O-N 3.14Å; D223-K248 VanDerWaalsContact O-N 3.09Å
224	E	98.7	Very high	96.9	Very high	42 Å²	42	32.1 Å²	32.1	20%	0.196	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	131.2	-171	-59.1	-176.5	148.6	0	0	111.8	R201 Y202 L203 K248 W250	R201-E224 PolarHBondContact O-N 2.86Å; Y202-E224 WeakPolarHBondContact CA-O 3.35Å; Y202-E224 HydrophobicContact CD2-CB 3.94Å; Y202-E224 WeakPolarHBondContact CD2-OE2 3.45Å; L203-E224 PolarHBondContact N-O 3.06Å; L203-E224 VanDerWaalsContact N-O 3.13Å; E224-K248 HydrophobicContact CG-CB 4.24Å; E224-K248 HydrophobicContact CG-CD 4.05Å; E224-K248 HydrophobicContact CG-CG 4.22Å; E224-K248 WeakPolarHBondContact OE1-CD 2.99Å; E224-K248 WeakPolarHBondContact OE1-CE 3.35Å; E224-K248 IonicContact OE1-NZ 3.38Å; E224-K248 PolarHBondContact OE1-NZ 2.96Å; E224-W250 HydrophobicContact CB-CH2 4.36Å; E224-W250 HydrophobicContact CB-CZ3 4.13Å; E224-W250 HydrophobicContact CG-CH2 4.46Å
225	L	98.7	Very high	96.9	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	118.6	-180	177.1	56.3	0	0	0	111.7	L203 L216 L222 M227 F240 L243 L246 K248 L249 W250	L203-L225 HydrophobicContact CB-CD1 4.22Å; L203-L225 HydrophobicContact CD2-CD1 4.23Å; L203-L225 HydrophobicContact CG-CD1 4.27Å; L216-L225 HydrophobicContact CD1-CD1 4.3Å; L216-L225 HydrophobicContact CD1-CD2 3.51Å; L222-L225 HydrophobicContact CD2-CB 4Å; L222-L225 HydrophobicContact CD2-CD1 4.27Å; L222-L225 HydrophobicContact CD2-CD2 4.33Å; L222-L225 HydrophobicContact CD2-CG 4.43Å; L225-M227 HydrophobicContact CD1-CG 3.82Å; L225-M227 HydrophobicContact CD1-SD 4.21Å; L225-M227 HydrophobicContact CD2-CE 4.11Å; L225-M227 HydrophobicContact CD2-CG 4.48Å; L225-M227 HydrophobicContact CD2-SD 4.14Å; L225-M227 HydrophobicContact CG-CE 4.48Å; L225-M227 HydrophobicContact CG-CG 3.98Å; L225-M227 HydrophobicContact CG-SD 4.28Å; L225-F240 HydrophobicContact CD2-CD1 4.34Å; L225-F240 HydrophobicContact CD2-CE1 4.1Å; L225-L243 HydrophobicContact CD2-CD1 4.33Å; L225-L246 HydrophobicContact CB-CD1 3.74Å; L225-L246 HydrophobicContact CB-CD2 4.26Å; L225-L246 HydrophobicContact CD2-CD2 4.44Å; L225-K248 PolarHBondContact N-O 3.13Å; L225-L249 HydrophobicContact CB-CD1 4.31Å; L225-L249 HydrophobicContact CD2-CD1 3.96Å; L225-L249 HydrophobicContact CG-CD1 4.11Å; L225-W250 PolarHBondContact O-N 2.88Å
226	E	98.6	Very high	96.8	Very high	43 Å²	43	35.3 Å²	35.3	20%	0.201	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	119.8	175	176.3	60.2	-79.7	0	0	110.9	L203 N204 L205 G206 S228 W250	L203-E226 PolarHBondContact O-N 2.96Å; N204-E226 HydrophobicContact CB-CB 4.15Å; N204-E226 HydrophobicContact CB-CG 4.47Å; N204-E226 WeakPolarHBondContact OD1-CG 3.29Å; L205-E226 PolarHBondContact N-O 2.97Å; G206-E226 PolarHBondContact N-O 2.83Å; E226-S228 WeakPolarHBondContact OE1-CB 3.45Å; E226-S228 PolarHBondContact OE1-N 2.99Å; E226-S228 PolarHBondContact OE1-OG 2.81Å; E226-W250 HydrophobicContact CB-CE3 3.95Å; E226-W250 WeakPolarHBondContact OE1-CB 3.45Å
227	M	97.6	Very high	96.4	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	19%	0.19	C	C	.	.			trans	-135.8	17.1	177	-60.1	-167.2	-57.1	0	0	112.9	L205 I213 L225 N230 L232 F240 L249 W250 M251	L205-M227 HydrophobicContact CB-CG 4.5Å; I213-M227 HydrophobicContact CD1-CE 3.84Å; I213-M227 HydrophobicContact CG1-CE 3.85Å; I213-M227 HydrophobicContact CG1-SD 4.18Å; I213-M227 HydrophobicContact CG2-CE 4.34Å; I213-M227 HydrophobicContact CG2-SD 4.13Å; L225-M227 HydrophobicContact CD1-CG 3.82Å; L225-M227 HydrophobicContact CD1-SD 4.21Å; L225-M227 HydrophobicContact CD2-CE 4.11Å; L225-M227 HydrophobicContact CD2-CG 4.48Å; L225-M227 HydrophobicContact CD2-SD 4.14Å; L225-M227 HydrophobicContact CG-CE 4.48Å; L225-M227 HydrophobicContact CG-CG 3.98Å; L225-M227 HydrophobicContact CG-SD 4.28Å; M227-N230 PolarHBondContact O-ND2 3.36Å; M227-L232 HydrophobicContact CB-CD1 4.44Å; M227-L232 HydrophobicContact CE-CD1 4.2Å; M227-F240 HydrophobicContact CE-CE1 3.61Å; M227-F240 HydrophobicContact CE-CZ 3.85Å; M227-L249 HydrophobicContact CE-CD1 4.17Å; M227-W250 PolarHBondContact N-O 2.96Å; M227-M251 HydrophobicContact CB-CG 4.38Å; M227-M251 HydrophobicContact CE-CG 4.03Å; M227-M251 HydrophobicContact CE-SD 3.69Å
228	S	98.3	Very high	96.1	Very high	16 Å²	16	34.1 Å²	34.1	11%	0.112	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	148.2	179.6	-57.8	0	0	0	0	112.9	G206 M207 E226 W250 M252	G206-S228 CarbonylContact C-O 3.6Å; G206-S228 WeakPolarHBondContact CA-O 3.49Å; M207-S228 PolarHBondContact N-O 3.46Å; E226-S228 WeakPolarHBondContact OE1-CB 3.45Å; E226-S228 PolarHBondContact OE1-N 2.99Å; E226-S228 PolarHBondContact OE1-OG 2.81Å; S228-W250 PolarHBondContact N-O 3.2Å; S228-M252 CarbonylContact C-O 3.26Å; S228-M252 WeakPolarHBondContact CA-O 3.43Å; S228-M252 WeakPolarHBondContact CB-O 3.38Å; S228-M252 WeakPolarHBondContact OG-CB 3.42Å; S228-M252 PolarHBondContact OG-N 2.97Å
229	G	97.3	Very high	95.9	Very high	24 Å²	24	34.9 Å²	34.9	25%	0.247	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	72	23.1	179.3	0	0	0	0	0	115.2	M252	G229-M252 PolarHBondContact N-O 2.77Å
230	N	97.7	Very high	95.8	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.011	19%	0.194	C	C	.	.	S	Bend	trans	-93.9	-167.7	170	-76.4	-54.2	0	0	0	111.8	L205 C208 N209 L210 M227 L232 A254	L205-N230 PolarHBondContact O-ND2 2.97Å; C208-N230 WeakPolarHBondContact CA-OD1 3.48Å; C208-N230 PolarHBondContact N-OD1 3.46Å; N209-N230 PolarHBondContact N-OD1 2.95Å; L210-N230 HydrophobicContact CB-CB 4.19Å; L210-N230 PolarHBondContact N-OD1 2.74Å; M227-N230 PolarHBondContact O-ND2 3.36Å; N230-L232 HydrophobicContact CB-CD1 4.42Å; N230-L232 HydrophobicContact CB-CG 3.99Å; N230-A254 CarbonylContact C-O 3.52Å; N230-A254 CarbonylContact O-C 3.55Å; N230-A254 VanDerWaalsContact O-C 3.23Å; N230-A254 WeakPolarHBondContact O-CA 3.26Å
231	Q	96.3	Very high	95.6	Very high	80 Å²	80	34.1 Å²	34.1	37%	0.374	18%	0.184	S	C	.	.			trans	-123.7	41.1	-175	-56.9	-180	20.7	0	0	110.8	N209 L210 T233 A254	N209-Q231 PolarHBondContact OD1-NE2 2.99Å; N209-Q231 VanDerWaalsContact OD1-NE2 3.16Å; L210-Q231 CarbonylContact O-C 3.59Å; L210-Q231 VanDerWaalsContact O-C 3.32Å; L210-Q231 WeakPolarHBondContact O-CA 3.05Å; L210-Q231 PolarHBondContact O-N 2.86Å; Q231-T233 VanDerWaalsContact C-N 3.33Å; Q231-T233 PolarHBondContact O-N 3.12Å; Q231-A254 CarbonylContact C-O 3.46Å
232	L	96	Very high	95.3	Very high	2 Å²	2	31 Å²	31	1%	0.01	18%	0.179	C	C	.	.			trans	-79	72.2	-174	-56.8	179.8	0	0	0	110.8	L210 I213 M227 N230 V234 I235 M251 A254 I256	L210-L232 HydrophobicContact CB-CD2 4.35Å; I213-L232 HydrophobicContact CD1-CD1 4.35Å; I213-L232 HydrophobicContact CG1-CD1 3.91Å; I213-L232 HydrophobicContact CG1-CD2 4.05Å; M227-L232 HydrophobicContact CB-CD1 4.44Å; M227-L232 HydrophobicContact CE-CD1 4.2Å; N230-L232 HydrophobicContact CB-CD1 4.42Å; N230-L232 HydrophobicContact CB-CG 3.99Å; L232-V234 VanDerWaalsContact C-N 3.26Å; L232-V234 PolarHBondContact O-N 3.4Å; L232-I235 HydrophobicContact CB-CD1 4.17Å; L232-I235 HydrophobicContact CD1-CD1 4.44Å; L232-M251 HydrophobicContact CD1-SD 4.41Å; L232-A254 HydrophobicContact CB-CB 4.46Å; L232-A254 HydrophobicContact CD1-CB 4.49Å; L232-A254 PolarHBondContact N-O 3.42Å; L232-I256 HydrophobicContact CB-CG1 4.44Å; L232-I256 VanDerWaalsContact O-CA 3.31Å; L232-I256 WeakPolarHBondContact O-CA 3.29Å; L232-I256 VanDerWaalsContact O-CG1 3.29Å; L232-I256 WeakPolarHBondContact O-CG1 3.31Å
233	T	95.7	Very high	95.2	Very high	65 Å²	65	31 Å²	31	40%	0.399	18%	0.179	S	C	.	.			trans	-60.9	-31.5	-171.3	56.2	0	0	0	0	114.4	Q231 Q257 T258	Q231-T233 VanDerWaalsContact C-N 3.33Å; Q231-T233 PolarHBondContact O-N 3.12Å; T233-Q257 PolarHBondContact O-N 2.91Å; T233-T258 PolarHBondContact O-N 2.95Å
234	V	95.6	Very high	95	Very high	41 Å²	41	33.1 Å²	33.1	25%	0.248	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	126.6	177	-177	0	0	0	0	109.8	L232 R236 T258 E260	L232-V234 VanDerWaalsContact C-N 3.26Å; L232-V234 PolarHBondContact O-N 3.4Å; V234-R236 HydrophobicContact CG1-CG 4.09Å; V234-T258 WeakPolarHBondContact CA-O 3.49Å; V234-E260 HydrophobicContact CG1-CG 3.94Å
235	I	96.6	Very high	94.9	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	131.2	168.4	-54.9	-59.1	0	0	0	108.6	I213 L232 F240 M251 I256 T258 I259 E260 S263 F264	I213-I235 HydrophobicContact CD1-CD1 3.96Å; L232-I235 HydrophobicContact CB-CD1 4.17Å; L232-I235 HydrophobicContact CD1-CD1 4.44Å; I235-F240 HydrophobicContact CG2-CE2 3.72Å; I235-M251 HydrophobicContact CD1-CE 4.26Å; I235-M251 HydrophobicContact CD1-SD 3.85Å; I235-M251 HydrophobicContact CG1-CE 4.47Å; I235-I256 HydrophobicContact CD1-CD1 3.99Å; I235-I256 HydrophobicContact CD1-CG1 4.13Å; I235-I256 HydrophobicContact CG1-CD1 3.95Å; I235-I256 HydrophobicContact CG1-CG1 4.17Å; I235-I256 HydrophobicContact CG1-CG2 3.88Å; I235-T258 PolarHBondContact N-O 2.93Å; I235-I259 HydrophobicContact CB-CB 4.45Å; I235-I259 HydrophobicContact CB-CG1 4.01Å; I235-I259 HydrophobicContact CB-CG2 4.32Å; I235-I259 HydrophobicContact CG1-CG1 3.98Å; I235-I259 HydrophobicContact CG2-CG2 4.5Å; I235-E260 PolarHBondContact O-N 2.86Å; I235-E260 VanDerWaalsContact O-N 3.08Å; I235-S263 PolarHBondContact O-OG 3.49Å; I235-F264 HydrophobicContact CG2-CE1 4.12Å
236	R	94	Very high	94.9	Very high	123 Å²	123	35.7 Å²	35.7	46%	0.464	20%	0.201	S	C	.	.			trans	-117.5	155.4	-177.7	-61	-158	178.4	83.6	3.2	113.4	V234 S239 E260	V234-R236 HydrophobicContact CG1-CG 4.09Å; R236-S239 WeakPolarHBondContact O-CB 3.34Å; R236-S239 PolarHBondContact O-N 3.04Å; R236-S239 VanDerWaalsContact O-N 3.1Å; R236-S239 PolarHBondContact O-OG 3.3Å; R236-S239 VanDerWaalsContact O-OG 3.12Å; R236-E260 HydrophobicContact CG-CG 4.49Å; R236-E260 WeakPolarHBondContact CG-OE2 3.36Å; R236-E260 IonicContact NE-OE1 2.63Å
237	P	88.6	Confident	94.8	Very high	26 Å²	26	38 Å²	38	17%	0.169	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	138.5	177.6	-20.1	41.8	0	0	0	109.2	S239 E260 R261 H396	P237-S239 VanDerWaalsContact C-N 3.34Å; P237-E260 WeakPolarHBondContact CD-OE2 3.37Å; P237-E260 HydrophobicContact CG-CB 4.14Å; P237-R261 WeakPolarHBondContact CG-O 3.46Å; P237-H396 VanDerWaalsContact CG-ND1 3.29Å; P237-H396 WeakPolarHBondContact CG-ND1 3.43Å
238	G	86.8	Confident	94.9	Very high	37 Å²	37	40.5 Å²	40.5	38%	0.381	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.9	-11.6	-165.6	0	0	0	0	0	115.2	F240 K241	G238-F240 PolarHBondContact O-N 2.83Å; G238-K241 VanDerWaalsContact O-CB 3.27Å; G238-K241 WeakPolarHBondContact O-CB 3.41Å; G238-K241 PolarHBondContact O-N 3.47Å; G238-K241 VanDerWaalsContact O-N 3.12Å
239	S	93	Very high	94.9	Very high	34 Å²	34	39.8 Å²	39.8	24%	0.238	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-21.3	171.2	-68.3	0	0	0	0	113.2	I213 R236 P237	I213-S239 WeakPolarHBondContact CG2-O 3.36Å; R236-S239 WeakPolarHBondContact O-CB 3.34Å; R236-S239 PolarHBondContact O-N 3.04Å; R236-S239 VanDerWaalsContact O-N 3.1Å; R236-S239 PolarHBondContact O-OG 3.3Å; R236-S239 VanDerWaalsContact O-OG 3.12Å; P237-S239 VanDerWaalsContact C-N 3.34Å
240	F	94.8	Very high	94.9	Very high	1 Å²	1	40.6 Å²	40.6	0%	0.004	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.5	19.5	176	-59.6	-72.8	0	0	0	113.1	I213 L225 M227 I235 G238 G242 L243 L249 M251 F264 L267	I213-F240 HydrophobicContact CD1-CE1 4.03Å; I213-F240 HydrophobicContact CD1-CE2 3.92Å; I213-F240 HydrophobicContact CD1-CZ 3.46Å; I213-F240 VanDerWaalsContact CD1-CZ 3.46Å; L225-F240 HydrophobicContact CD2-CD1 4.34Å; L225-F240 HydrophobicContact CD2-CE1 4.1Å; M227-F240 HydrophobicContact CE-CE1 3.61Å; M227-F240 HydrophobicContact CE-CZ 3.85Å; I235-F240 HydrophobicContact CG2-CE2 3.72Å; G238-F240 PolarHBondContact O-N 2.83Å; F240-G242 PolarHBondContact O-N 3.13Å; F240-L243 HydrophobicContact CB-CD1 4.29Å; F240-L243 HydrophobicContact CD1-CD1 4.11Å; F240-L243 WeakPolarHBondContact O-CB 3.26Å; F240-L243 WeakPolarHBondContact O-CG 3.29Å; F240-L243 PolarHBondContact O-N 3Å; F240-L243 VanDerWaalsContact O-N 3.15Å; F240-L249 HydrophobicContact CD1-CD2 4.21Å; F240-L249 HydrophobicContact CE1-CD1 3.72Å; F240-L249 HydrophobicContact CE1-CD2 3.75Å; F240-L249 HydrophobicContact CE1-CG 4.42Å; F240-L249 HydrophobicContact CE2-CD2 4.21Å; F240-L249 HydrophobicContact CZ-CD1 4.16Å; F240-L249 HydrophobicContact CZ-CD2 3.76Å; F240-M251 HydrophobicContact CE2-CE 4.4Å; F240-M251 HydrophobicContact CZ-CE 3.95Å; F240-M251 HydrophobicContact CZ-SD 3.72Å; F240-F264 HydrophobicContact CD2-CD1 4.05Å; F240-F264 HydrophobicContact CD2-CE1 4.19Å; F240-F264 HydrophobicContact CE2-CD1 4.1Å; F240-F264 AromaticContact CE2-CE1 3.75Å; F240-F264 HydrophobicContact CE2-CE1 3.75Å; F240-L267 HydrophobicContact CB-CD1 4.19Å; F240-L267 HydrophobicContact CB-CD2 3.83Å; F240-L267 HydrophobicContact CB-CG 4.09Å; F240-L267 HydrophobicContact CD2-CD1 4.37Å; F240-L267 HydrophobicContact CG-CD1 4.15Å; F240-L267 HydrophobicContact CG-CD2 4.46Å
241	K	91.4	Very high	94.9	Very high	53 Å²	53	40.5 Å²	40.5	23%	0.23	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	129.8	-170.6	-172.5	177.4	176	-173.4	0	112.5	I217 G238 L243 Y399	I217-K241 HydrophobicContact CD1-CB 4.43Å; I217-K241 HydrophobicContact CD1-CD 4.19Å; I217-K241 HydrophobicContact CG1-CB 4.26Å; G238-K241 VanDerWaalsContact O-CB 3.27Å; G238-K241 WeakPolarHBondContact O-CB 3.41Å; G238-K241 PolarHBondContact O-N 3.47Å; G238-K241 VanDerWaalsContact O-N 3.12Å; K241-L243 PolarHBondContact O-N 2.82Å; K241-Y399 HydrophobicContact CD-CD2 4.45Å
242	G	89.9	Confident	95	Very high	26 Å²	26	39.2 Å²	39.2	27%	0.268	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.7	2.8	175.6	0	0	0	0	0	115.5	F240 I244 D266	F240-G242 PolarHBondContact O-N 3.13Å; G242-I244 PolarHBondContact O-N 2.72Å; G242-D266 PolarHBondContact N-OD1 3.06Å
243	L	95.5	Very high	95	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.01	23%	0.226	C	C	.	.			trans	-78.3	44.6	172.6	-59.4	-179.4	0	0	0	111.9	L216 L219 L222 L225 F240 K241 H245 L246 L267	L216-L243 HydrophobicContact CB-CD1 4.07Å; L216-L243 HydrophobicContact CB-CD2 4.22Å; L216-L243 HydrophobicContact CD1-CD1 3.95Å; L219-L243 HydrophobicContact CB-CD2 4.29Å; L222-L243 HydrophobicContact CB-CD2 4.34Å; L222-L243 HydrophobicContact CD2-CD2 4.32Å; L225-L243 HydrophobicContact CD2-CD1 4.33Å; F240-L243 HydrophobicContact CB-CD1 4.29Å; F240-L243 HydrophobicContact CD1-CD1 4.11Å; F240-L243 WeakPolarHBondContact O-CB 3.26Å; F240-L243 WeakPolarHBondContact O-CG 3.29Å; F240-L243 PolarHBondContact O-N 3Å; F240-L243 VanDerWaalsContact O-N 3.15Å; K241-L243 PolarHBondContact O-N 2.82Å; L243-H245 PolarHBondContact O-N 2.87Å; L243-L246 HydrophobicContact CB-CB 4.17Å; L243-L246 HydrophobicContact CD1-CD2 4.46Å; L243-L246 VanDerWaalsContact O-CB 3.26Å; L243-L246 WeakPolarHBondContact O-CB 3.38Å; L243-L246 PolarHBondContact O-N 2.77Å; L243-L267 HydrophobicContact CB-CD2 3.91Å
244	I	94.2	Very high	95.1	Very high	77 Å²	77	40.3 Å²	40.3	40%	0.395	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-20.3	-172.2	61.1	171.9	0	0	0	114.2	G242 S269	G242-I244 PolarHBondContact O-N 2.72Å; I244-S269 VanDerWaalsContact O-CB 3.23Å; I244-S269 WeakPolarHBondContact O-CB 3.36Å; I244-S269 PolarHBondContact O-N 2.85Å; I244-S269 PolarHBondContact O-OG 2.85Å
245	H	96.4	Very high	95.1	Very high	97 Å²	97	43 Å²	43	45%	0.449	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-2.8	179.2	-72.5	-59.7	0	0	0	114	V220 L222 L243 Q247	V220-H245 PolarHBondContact O-CD2 3.21Å; L222-H245 CarbonylContact O-C 3.54Å; L243-H245 PolarHBondContact O-N 2.87Å; H245-Q247 PolarHBondContact O-N 2.89Å
246	L	98.1	Very high	95.2	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.217	C	C	.	.			trans	-67	121.2	-176.5	-170.1	74	0	0	0	110.8	L222 L225 L243 L249 L267 S269 L270	L222-L246 HydrophobicContact CB-CD1 4.31Å; L222-L246 HydrophobicContact CD2-CD1 4.07Å; L222-L246 HydrophobicContact CG-CD1 3.97Å; L222-L246 WeakPolarHBondContact O-CA 3.2Å; L222-L246 PolarHBondContact O-N 3.09Å; L225-L246 HydrophobicContact CB-CD1 3.74Å; L225-L246 HydrophobicContact CB-CD2 4.26Å; L225-L246 HydrophobicContact CD2-CD2 4.44Å; L243-L246 HydrophobicContact CB-CB 4.17Å; L243-L246 HydrophobicContact CD1-CD2 4.46Å; L243-L246 VanDerWaalsContact O-CB 3.26Å; L243-L246 WeakPolarHBondContact O-CB 3.38Å; L243-L246 PolarHBondContact O-N 2.77Å; L246-L249 HydrophobicContact CD2-CB 4.09Å; L246-L249 HydrophobicContact CD2-CD1 4.46Å; L246-L267 HydrophobicContact CB-CD2 4.08Å; L246-L267 HydrophobicContact CD2-CD2 3.81Å; L246-S269 CarbonylContact O-C 3.59Å; L246-S269 VanDerWaalsContact O-C 3.25Å; L246-L270 HydrophobicContact CD2-CD1 4.35Å; L246-L270 HydrophobicContact CG-CD1 4.32Å; L246-L270 VanDerWaalsContact O-CA 3.24Å; L246-L270 WeakPolarHBondContact O-CA 3.38Å; L246-L270 PolarHBondContact O-N 3.09Å
247	Q	98	Very high	95.3	Very high	91 Å²	91	42.1 Å²	42.1	43%	0.425	22%	0.218	S	C	.	.			trans	-99.1	-30.4	-179.9	-61.4	-171.4	-22.6	0	0	112.5	D223 H245 V271 E272	D223-Q247 WeakPolarHBondContact O-CA 3.36Å; D223-Q247 PolarHBondContact O-N 2.92Å; H245-Q247 PolarHBondContact O-N 2.89Å; Q247-V271 HydrophobicContact CB-CG2 4.42Å; Q247-V271 PolarHBondContact O-N 3.47Å; Q247-E272 PolarHBondContact O-N 3.45Å
248	K	98.5	Very high	95.6	Very high	54 Å²	54	44 Å²	44	24%	0.235	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	127.5	-177.9	-48.9	-173.7	-169.4	157.9	0	112.1	D223 E224 L225 W250 E272	D223-K248 PolarHBondContact O-N 3.14Å; D223-K248 VanDerWaalsContact O-N 3.09Å; E224-K248 HydrophobicContact CG-CB 4.24Å; E224-K248 HydrophobicContact CG-CD 4.05Å; E224-K248 HydrophobicContact CG-CG 4.22Å; E224-K248 WeakPolarHBondContact OE1-CD 2.99Å; E224-K248 WeakPolarHBondContact OE1-CE 3.35Å; E224-K248 IonicContact OE1-NZ 3.38Å; E224-K248 PolarHBondContact OE1-NZ 2.96Å; L225-K248 PolarHBondContact N-O 3.13Å; K248-W250 HydrophobicContact CB-CH2 4.16Å; K248-W250 HydrophobicContact CB-CZ2 3.92Å; K248-W250 HydrophobicContact CD-CH2 3.83Å; K248-W250 HydrophobicContact CD-CZ2 3.53Å; K248-W250 HydrophobicContact CG-CZ2 4.36Å; K248-E272 WeakPolarHBondContact CA-O 3.5Å; K248-E272 HydrophobicContact CB-CB 4.2Å; K248-E272 HydrophobicContact CG-CB 3.96Å
249	L	98.4	Very high	96.1	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	111.2	178.4	176.9	53.1	0	0	0	110.4	L225 M227 F240 L246 M251 F264 L267 L270 E272 L273 N274	L225-L249 HydrophobicContact CB-CD1 4.31Å; L225-L249 HydrophobicContact CD2-CD1 3.96Å; L225-L249 HydrophobicContact CG-CD1 4.11Å; M227-L249 HydrophobicContact CE-CD1 4.17Å; F240-L249 HydrophobicContact CD1-CD2 4.21Å; F240-L249 HydrophobicContact CE1-CD1 3.72Å; F240-L249 HydrophobicContact CE1-CD2 3.75Å; F240-L249 HydrophobicContact CE1-CG 4.42Å; F240-L249 HydrophobicContact CE2-CD2 4.21Å; F240-L249 HydrophobicContact CZ-CD1 4.16Å; F240-L249 HydrophobicContact CZ-CD2 3.76Å; L246-L249 HydrophobicContact CD2-CB 4.09Å; L246-L249 HydrophobicContact CD2-CD1 4.46Å; L249-M251 HydrophobicContact CD1-CE 4.41Å; L249-M251 HydrophobicContact CD1-CG 3.97Å; L249-M251 HydrophobicContact CD1-SD 4.24Å; L249-M251 HydrophobicContact CD2-CE 3.92Å; L249-M251 HydrophobicContact CG-CE 4.08Å; L249-M251 HydrophobicContact CG-CG 4.33Å; L249-F264 HydrophobicContact CD2-CE1 4.31Å; L249-L267 HydrophobicContact CD2-CD1 3.73Å; L249-L270 HydrophobicContact CB-CD1 3.84Å; L249-E272 PolarHBondContact N-O 3.48Å; L249-L273 HydrophobicContact CB-CD1 4.15Å; L249-L273 HydrophobicContact CD2-CD1 3.99Å; L249-L273 HydrophobicContact CG-CD1 4.01Å; L249-N274 PolarHBondContact O-N 2.89Å
250	W	98.4	Very high	96.2	Very high	41 Å²	41	42.2 Å²	42.2	16%	0.155	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	118.6	179.8	-56	-61.9	0	0	0	111.3	Y202 E224 L225 E226 M227 S228 K248 E272	Y202-W250 HydrophobicContact CE2-CZ3 4.29Å; E224-W250 HydrophobicContact CB-CH2 4.36Å; E224-W250 HydrophobicContact CB-CZ3 4.13Å; E224-W250 HydrophobicContact CG-CH2 4.46Å; L225-W250 PolarHBondContact O-N 2.88Å; E226-W250 HydrophobicContact CB-CE3 3.95Å; E226-W250 WeakPolarHBondContact OE1-CB 3.45Å; M227-W250 PolarHBondContact N-O 2.96Å; S228-W250 PolarHBondContact N-O 3.2Å; K248-W250 HydrophobicContact CB-CH2 4.16Å; K248-W250 HydrophobicContact CB-CZ2 3.92Å; K248-W250 HydrophobicContact CD-CH2 3.83Å; K248-W250 HydrophobicContact CD-CZ2 3.53Å; K248-W250 HydrophobicContact CG-CZ2 4.36Å; W250-E272 PolarHBondContact NE1-OE1 3.23Å
251	M	97.4	Very high	96.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.208	C	C	.	.			trans	-135.5	40.7	178.7	-60.9	-168.8	-72.3	0	0	111	M227 L232 I235 F240 L249 A254 I256 F264 N274 L275 N278	M227-M251 HydrophobicContact CB-CG 4.38Å; M227-M251 HydrophobicContact CE-CG 4.03Å; M227-M251 HydrophobicContact CE-SD 3.69Å; L232-M251 HydrophobicContact CD1-SD 4.41Å; I235-M251 HydrophobicContact CD1-CE 4.26Å; I235-M251 HydrophobicContact CD1-SD 3.85Å; I235-M251 HydrophobicContact CG1-CE 4.47Å; F240-M251 HydrophobicContact CE2-CE 4.4Å; F240-M251 HydrophobicContact CZ-CE 3.95Å; F240-M251 HydrophobicContact CZ-SD 3.72Å; L249-M251 HydrophobicContact CD1-CE 4.41Å; L249-M251 HydrophobicContact CD1-CG 3.97Å; L249-M251 HydrophobicContact CD1-SD 4.24Å; L249-M251 HydrophobicContact CD2-CE 3.92Å; L249-M251 HydrophobicContact CG-CE 4.08Å; L249-M251 HydrophobicContact CG-CG 4.33Å; M251-A254 HydrophobicContact CB-CB 4.29Å; M251-A254 WeakPolarHBondContact O-CB 3.49Å; M251-I256 HydrophobicContact CB-CD1 4Å; M251-I256 HydrophobicContact CE-CD1 4.31Å; M251-I256 HydrophobicContact SD-CD1 4.35Å; M251-F264 HydrophobicContact CE-CE1 4.1Å; M251-F264 HydrophobicContact CE-CZ 4.18Å; M251-N274 CarbonylContact C-O 3.17Å; M251-N274 WeakPolarHBondContact CA-O 3.36Å; M251-N274 PolarHBondContact N-O 3.11Å; M251-L275 HydrophobicContact CE-CD2 3.66Å; M251-N278 PolarHBondContact O-ND2 2.91Å
252	M	96.8	Very high	96.2	Very high	54 Å²	54	40.8 Å²	40.8	27%	0.266	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	143.9	179.2	-171.5	-174.3	173.3	0	0	110.4	S228 G229 A254 A276 H277	S228-M252 CarbonylContact C-O 3.26Å; S228-M252 WeakPolarHBondContact CA-O 3.43Å; S228-M252 WeakPolarHBondContact CB-O 3.38Å; S228-M252 WeakPolarHBondContact OG-CB 3.42Å; S228-M252 PolarHBondContact OG-N 2.97Å; G229-M252 PolarHBondContact N-O 2.77Å; M252-A254 PolarHBondContact O-N 2.68Å; M252-A276 CarbonylContact C-O 3.45Å; M252-A276 VanDerWaalsContact CA-O 3.26Å; M252-A276 WeakPolarHBondContact CA-O 3.4Å; M252-A276 HydrophobicContact CG-CB 4.29Å; M252-A276 WeakPolarHBondContact CG-O 3.45Å; M252-H277 WeakPolarHBondContact CE-CD2 3.38Å
253	H	97.1	Very high	96.5	Very high	90 Å²	90	39.6 Å²	39.6	42%	0.417	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	13.5	-179.9	-71.7	-74.9	0	0	0	116.2	Q255 A276 H277	H253-Q255 PolarHBondContact O-N 2.69Å; H253-Q255 VanDerWaalsContact O-N 3.13Å; H253-Q255 PolarHBondContact O-NE2 2.89Å; H253-Q255 VanDerWaalsContact O-NE2 3.1Å; H253-A276 PolarHBondContact N-O 3.44Å; H253-H277 WeakPolarHBondContact CA-O 3.33Å; H253-H277 WeakPolarHBondContact CE1-CB 3.45Å; H253-H277 AromaticContact CE1-CG 3.61Å; H253-H277 AromaticContact CE1-ND1 3.63Å; H253-H277 WeakPolarHBondContact ND1-CB 3.18Å; H253-H277 AromaticContact NE2-CG 3.65Å; H253-H277 AromaticContact NE2-ND1 3.83Å
254	A	97	Very high	96.5	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.189	C	C	.	.	S	Bend	trans	-77.3	8.5	-172.4	0	0	0	0	0	115.5	N230 Q231 L232 M251 M252 I256 N278	N230-A254 CarbonylContact C-O 3.52Å; N230-A254 CarbonylContact O-C 3.55Å; N230-A254 VanDerWaalsContact O-C 3.23Å; N230-A254 WeakPolarHBondContact O-CA 3.26Å; Q231-A254 CarbonylContact C-O 3.46Å; L232-A254 HydrophobicContact CB-CB 4.46Å; L232-A254 HydrophobicContact CD1-CB 4.49Å; L232-A254 PolarHBondContact N-O 3.42Å; M251-A254 HydrophobicContact CB-CB 4.29Å; M251-A254 WeakPolarHBondContact O-CB 3.49Å; M252-A254 PolarHBondContact O-N 2.68Å; A254-I256 HydrophobicContact CB-CD1 4.29Å; A254-I256 HydrophobicContact CB-CG1 4.08Å; A254-I256 PolarHBondContact O-N 2.87Å; A254-N278 VanDerWaalsContact C-OD1 3.3Å; A254-N278 WeakPolarHBondContact CA-OD1 3.01Å; A254-N278 PolarHBondContact N-OD1 3.06Å
255	Q	96.5	Very high	96.4	Very high	97 Å²	97	37.4 Å²	37.4	45%	0.453	18%	0.179	S	C	.	.			trans	60.5	22.9	-178.4	-51.6	-55.1	-63.6	0	0	115.2	H253 Q257 N278	H253-Q255 PolarHBondContact O-N 2.69Å; H253-Q255 VanDerWaalsContact O-N 3.13Å; H253-Q255 PolarHBondContact O-NE2 2.89Å; H253-Q255 VanDerWaalsContact O-NE2 3.1Å; Q255-Q257 PolarHBondContact O-N 3.15Å; Q255-N278 PolarHBondContact N-OD1 3.22Å
256	I	97.8	Very high	96.2	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.167	C	C	.	.			trans	-63	127.9	179.1	-52	165.1	0	0	0	109.7	L232 I235 M251 A254 I259 L275 N278 N279 L280	L232-I256 HydrophobicContact CB-CG1 4.44Å; L232-I256 VanDerWaalsContact O-CA 3.31Å; L232-I256 WeakPolarHBondContact O-CA 3.29Å; L232-I256 VanDerWaalsContact O-CG1 3.29Å; L232-I256 WeakPolarHBondContact O-CG1 3.31Å; I235-I256 HydrophobicContact CD1-CD1 3.99Å; I235-I256 HydrophobicContact CD1-CG1 4.13Å; I235-I256 HydrophobicContact CG1-CD1 3.95Å; I235-I256 HydrophobicContact CG1-CG1 4.17Å; I235-I256 HydrophobicContact CG1-CG2 3.88Å; M251-I256 HydrophobicContact CB-CD1 4Å; M251-I256 HydrophobicContact CE-CD1 4.31Å; M251-I256 HydrophobicContact SD-CD1 4.35Å; A254-I256 HydrophobicContact CB-CD1 4.29Å; A254-I256 HydrophobicContact CB-CG1 4.08Å; A254-I256 PolarHBondContact O-N 2.87Å; I256-I259 HydrophobicContact CG2-CG1 3.94Å; I256-L275 HydrophobicContact CD1-CD2 3.94Å; I256-N278 HydrophobicContact CB-CB 4.11Å; I256-N278 PolarHBondContact N-OD1 3Å; I256-N279 CarbonylContact O-C 3.39Å; I256-N279 VanDerWaalsContact O-C 3.31Å; I256-N279 WeakPolarHBondContact O-CA 3.29Å; I256-N279 PolarHBondContact O-N 2.77Å; I256-L280 HydrophobicContact CB-CD2 4.39Å; I256-L280 HydrophobicContact CG2-CD2 3.73Å; I256-L280 HydrophobicContact CG2-CG 4.44Å; I256-L280 PolarHBondContact O-N 2.8Å
257	Q	96.3	Very high	96.1	Very high	104 Å²	104	34.6 Å²	34.6	49%	0.486	17%	0.167	S	C	.	.			trans	-106.7	-39	175.7	-52.8	-173.9	5.3	0	0	111.1	T233 Q255 N279	T233-Q257 PolarHBondContact O-N 2.91Å; Q255-Q257 PolarHBondContact O-N 3.15Å; Q257-N279 HydrophobicContact CG-CB 4.3Å
258	T	95.5	Very high	95.8	Very high	67 Å²	67	35.8 Å²	35.8	41%	0.411	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	139	-176.5	-52.3	0	0	0	0	110.4	T233 V234 I235	T233-T258 PolarHBondContact O-N 2.95Å; V234-T258 WeakPolarHBondContact CA-O 3.49Å; I235-T258 PolarHBondContact N-O 2.93Å
259	I	96.6	Very high	95.7	Very high	5 Å²	5	34.8 Å²	34.8	3%	0.026	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	127.4	164.1	-63.8	166.4	0	0	0	105.9	I235 I256 F264 L275 L280 L283 P284 L287	I235-I259 HydrophobicContact CB-CB 4.45Å; I235-I259 HydrophobicContact CB-CG1 4.01Å; I235-I259 HydrophobicContact CB-CG2 4.32Å; I235-I259 HydrophobicContact CG1-CG1 3.98Å; I235-I259 HydrophobicContact CG2-CG2 4.5Å; I256-I259 HydrophobicContact CG2-CG1 3.94Å; I259-F264 HydrophobicContact CD1-CE2 4.26Å; I259-F264 HydrophobicContact CD1-CZ 4.11Å; I259-F264 HydrophobicContact CG2-CE2 4.19Å; I259-F264 HydrophobicContact CG2-CZ 4.22Å; I259-L275 HydrophobicContact CD1-CD1 3.8Å; I259-L275 HydrophobicContact CD1-CD2 4.13Å; I259-L280 HydrophobicContact CD1-CD1 4.13Å; I259-L280 HydrophobicContact CD1-CD2 3.93Å; I259-L280 HydrophobicContact CG1-CD2 4.01Å; I259-L283 HydrophobicContact CD1-CD2 3.78Å; I259-P284 WeakPolarHBondContact O-CD 3.41Å; I259-P284 WeakPolarHBondContact O-CG 3.25Å; I259-L287 HydrophobicContact CG2-CD1 4.21Å; I259-L287 HydrophobicContact CG2-CD2 3.93Å
260	E	95.3	Very high	95.7	Very high	27 Å²	27	34.8 Å²	34.8	13%	0.126	17%	0.173	C	C	.	.			trans	-78.5	161.5	-179.6	-61.4	-172.1	158.3	0	0	111.6	V234 I235 R236 P237 S263 N407	V234-E260 HydrophobicContact CG1-CG 3.94Å; I235-E260 PolarHBondContact O-N 2.86Å; I235-E260 VanDerWaalsContact O-N 3.08Å; R236-E260 HydrophobicContact CG-CG 4.49Å; R236-E260 WeakPolarHBondContact CG-OE2 3.36Å; R236-E260 IonicContact NE-OE1 2.63Å; P237-E260 WeakPolarHBondContact CD-OE2 3.37Å; P237-E260 HydrophobicContact CG-CB 4.14Å; E260-S263 PolarHBondContact N-OG 3.48Å; E260-S263 WeakPolarHBondContact O-CB 3.43Å; E260-S263 PolarHBondContact O-N 3.43Å; E260-S263 PolarHBondContact O-OG 2.99Å; E260-N407 WeakPolarHBondContact CG-ND2 3.44Å; E260-N407 PolarHBondContact OE1-ND2 3.13Å
261	R	92.9	Very high	95.5	Very high	5 Å²	5	34.3 Å²	34.3	2%	0.019	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	140.5	-179.8	-59.3	-177.1	-167.1	87	-15.7	111.2	P237 S263 P284 S379 T382 H396 N407	P237-R261 WeakPolarHBondContact CG-O 3.46Å; R261-S263 PolarHBondContact O-N 2.9Å; R261-P284 HydrophobicContact CG-CB 4.28Å; R261-S379 PolarHBondContact NH2-O 3.12Å; R261-T382 WeakPolarHBondContact CD-O 3.3Å; R261-T382 PolarHBondContact NE-O 3.39Å; R261-H396 HydrophobicContact CB-CB 4.34Å; R261-N407 PolarHBondContact NH1-O 2.8Å; R261-N407 PolarHBondContact NH1-OD1 2.82Å
262	N	94.1	Very high	95.4	Very high	19 Å²	19	35.4 Å²	35.4	10%	0.102	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.8	20.8	177.9	-51.5	103.4	0	0	0	115.2	F264 D265 H396 G397	N262-F264 PolarHBondContact O-N 3.38Å; N262-F264 VanDerWaalsContact O-N 3.1Å; N262-D265 WeakPolarHBondContact CA-OD1 3.45Å; N262-D265 WeakPolarHBondContact CB-OD2 3.31Å; N262-D265 PolarHBondContact ND2-OD2 2.91Å; N262-D265 PolarHBondContact O-N 3.21Å; N262-H396 HydrophobicContact CB-CB 4.38Å; N262-H396 PolarHBondContact OD1-N 3.3Å; N262-G397 VanDerWaalsContact CB-N 3.29Å
263	S	95.6	Very high	95.4	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.014	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-17	-176.3	-70.6	0	0	0	0	115.3	I235 E260 R261	I235-S263 PolarHBondContact O-OG 3.49Å; E260-S263 PolarHBondContact N-OG 3.48Å; E260-S263 WeakPolarHBondContact O-CB 3.43Å; E260-S263 PolarHBondContact O-N 3.43Å; E260-S263 PolarHBondContact O-OG 2.99Å; R261-S263 PolarHBondContact O-N 2.9Å
264	F	96	Very high	95.3	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.5	1.5	-174.7	-58.3	-43.7	0	0	0	113.8	I235 F240 L249 M251 I259 N262 D266 L267 L273 L287 F288 L291	I235-F264 HydrophobicContact CG2-CE1 4.12Å; F240-F264 HydrophobicContact CD2-CD1 4.05Å; F240-F264 HydrophobicContact CD2-CE1 4.19Å; F240-F264 HydrophobicContact CE2-CD1 4.1Å; F240-F264 AromaticContact CE2-CE1 3.75Å; F240-F264 HydrophobicContact CE2-CE1 3.75Å; L249-F264 HydrophobicContact CD2-CE1 4.31Å; M251-F264 HydrophobicContact CE-CE1 4.1Å; M251-F264 HydrophobicContact CE-CZ 4.18Å; I259-F264 HydrophobicContact CD1-CE2 4.26Å; I259-F264 HydrophobicContact CD1-CZ 4.11Å; I259-F264 HydrophobicContact CG2-CE2 4.19Å; I259-F264 HydrophobicContact CG2-CZ 4.22Å; N262-F264 PolarHBondContact O-N 3.38Å; N262-F264 VanDerWaalsContact O-N 3.1Å; F264-D266 PolarHBondContact O-N 2.88Å; F264-L267 HydrophobicContact CB-CD1 4.18Å; F264-L267 HydrophobicContact CD1-CD1 3.86Å; F264-L267 HydrophobicContact CG-CD1 4.36Å; F264-L267 VanDerWaalsContact O-CB 3.26Å; F264-L267 WeakPolarHBondContact O-CB 3.33Å; F264-L267 PolarHBondContact O-N 2.92Å; F264-L273 HydrophobicContact CD2-CD2 4.3Å; F264-L273 HydrophobicContact CE2-CD2 3.97Å; F264-L273 HydrophobicContact CZ-CD2 4.47Å; F264-L287 HydrophobicContact CD2-CD1 3.78Å; F264-L287 HydrophobicContact CD2-CD2 4.07Å; F264-L287 HydrophobicContact CD2-CG 3.84Å; F264-L287 HydrophobicContact CE2-CD1 4.31Å; F264-L287 HydrophobicContact CE2-CD2 3.9Å; F264-L287 HydrophobicContact CE2-CG 4.21Å; F264-L287 HydrophobicContact CG-CD1 4.47Å; F264-F288 HydrophobicContact CD2-CE1 4.41Å; F264-F288 HydrophobicContact CE2-CE1 4.39Å; F264-L291 HydrophobicContact CB-CD1 4.03Å; F264-L291 HydrophobicContact CB-CD2 4.38Å; F264-L291 WeakPolarHBondContact O-CD2 3.19Å
265	D	92.3	Very high	95.3	Very high	33 Å²	33	29.6 Å²	29.6	18%	0.176	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-24.9	-171.6	-65.5	23.9	0	0	0	114.4	N262 L267	N262-D265 WeakPolarHBondContact CA-OD1 3.45Å; N262-D265 WeakPolarHBondContact CB-OD2 3.31Å; N262-D265 PolarHBondContact ND2-OD2 2.91Å; N262-D265 PolarHBondContact O-N 3.21Å; D265-L267 VanDerWaalsContact C-N 3.29Å; D265-L267 PolarHBondContact O-N 3.03Å
266	D	91.2	Very high	95.3	Very high	37 Å²	37	25 Å²	25	20%	0.198	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-25.9	171.2	-79.5	-91	0	0	0	113.4	G242 F264 Q268	G242-D266 PolarHBondContact N-OD1 3.06Å; F264-D266 PolarHBondContact O-N 2.88Å; D266-Q268 PolarHBondContact O-N 3.36Å
267	L	95.5	Very high	95.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.141	C	C	.	.			trans	-85.4	48.7	-165.9	-60.9	-179.6	0	0	0	113.2	F240 L243 L246 L249 F264 D265 S269 L270 L291	F240-L267 HydrophobicContact CB-CD1 4.19Å; F240-L267 HydrophobicContact CB-CD2 3.83Å; F240-L267 HydrophobicContact CB-CG 4.09Å; F240-L267 HydrophobicContact CD2-CD1 4.37Å; F240-L267 HydrophobicContact CG-CD1 4.15Å; F240-L267 HydrophobicContact CG-CD2 4.46Å; L243-L267 HydrophobicContact CB-CD2 3.91Å; L246-L267 HydrophobicContact CB-CD2 4.08Å; L246-L267 HydrophobicContact CD2-CD2 3.81Å; L249-L267 HydrophobicContact CD2-CD1 3.73Å; F264-L267 HydrophobicContact CB-CD1 4.18Å; F264-L267 HydrophobicContact CD1-CD1 3.86Å; F264-L267 HydrophobicContact CG-CD1 4.36Å; F264-L267 VanDerWaalsContact O-CB 3.26Å; F264-L267 WeakPolarHBondContact O-CB 3.33Å; F264-L267 PolarHBondContact O-N 2.92Å; D265-L267 VanDerWaalsContact C-N 3.29Å; D265-L267 PolarHBondContact O-N 3.03Å; L267-S269 PolarHBondContact O-N 3.33Å; L267-L270 HydrophobicContact CB-CB 4.09Å; L267-L270 HydrophobicContact CB-CD2 4.36Å; L267-L270 HydrophobicContact CD1-CD2 4.09Å; L267-L270 WeakPolarHBondContact O-CB 3.45Å; L267-L270 PolarHBondContact O-N 3.26Å; L267-L291 HydrophobicContact CB-CD2 4.12Å; L267-L291 WeakPolarHBondContact O-CD2 3.35Å
268	Q	92.7	Very high	95.3	Very high	117 Å²	117	22.8 Å²	22.8	55%	0.547	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-21.1	-169.4	-64.1	172.7	14.2	0	0	114.8	D266 H293	D266-Q268 PolarHBondContact O-N 3.36Å; Q268-H293 PolarHBondContact O-ND1 2.82Å
269	S	96.6	Very high	95.4	Very high	33 Å²	33	23.3 Å²	23.3	23%	0.231	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	8.1	176.3	-55.5	0	0	0	0	114.5	I244 L246 L267 V271	I244-S269 VanDerWaalsContact O-CB 3.23Å; I244-S269 WeakPolarHBondContact O-CB 3.36Å; I244-S269 PolarHBondContact O-N 2.85Å; I244-S269 PolarHBondContact O-OG 2.85Å; L246-S269 CarbonylContact O-C 3.59Å; L246-S269 VanDerWaalsContact O-C 3.25Å; L267-S269 PolarHBondContact O-N 3.33Å; S269-V271 PolarHBondContact O-N 3.19Å
270	L	97.4	Very high	95.4	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.12	C	C	.	.			trans	-71.7	124.1	-170.9	-163.3	72.9	0	0	0	112.2	L246 L249 L267 L273 L291 H293 L294	L246-L270 HydrophobicContact CD2-CD1 4.35Å; L246-L270 HydrophobicContact CG-CD1 4.32Å; L246-L270 VanDerWaalsContact O-CA 3.24Å; L246-L270 WeakPolarHBondContact O-CA 3.38Å; L246-L270 PolarHBondContact O-N 3.09Å; L249-L270 HydrophobicContact CB-CD1 3.84Å; L267-L270 HydrophobicContact CB-CB 4.09Å; L267-L270 HydrophobicContact CB-CD2 4.36Å; L267-L270 HydrophobicContact CD1-CD2 4.09Å; L267-L270 WeakPolarHBondContact O-CB 3.45Å; L267-L270 PolarHBondContact O-N 3.26Å; L270-L273 HydrophobicContact CD2-CB 4.04Å; L270-L273 HydrophobicContact CD2-CD1 4.41Å; L270-L273 HydrophobicContact CD2-CD2 4.45Å; L270-L291 HydrophobicContact CD2-CD1 4.35Å; L270-H293 CarbonylContact O-C 3.56Å; L270-L294 HydrophobicContact CD2-CD1 4.17Å; L270-L294 HydrophobicContact CG-CD1 4.18Å; L270-L294 VanDerWaalsContact O-CA 3.24Å; L270-L294 WeakPolarHBondContact O-CA 3.19Å; L270-L294 PolarHBondContact O-N 3.08Å
271	V	95.6	Very high	95.5	Very high	31 Å²	31	25 Å²	25	19%	0.188	13%	0.133	C	C	.	.			trans	-108.1	-31.9	179.8	-175.4	0	0	0	0	111.6	Q247 S269 H293 E295 R296	Q247-V271 HydrophobicContact CB-CG2 4.42Å; Q247-V271 PolarHBondContact O-N 3.47Å; S269-V271 PolarHBondContact O-N 3.19Å; V271-H293 WeakPolarHBondContact CA-O 3.48Å; V271-H293 HydrophobicContact CG2-CB 4.44Å; V271-E295 HydrophobicContact CG1-CB 4.11Å; V271-E295 HydrophobicContact CG1-CG 4.03Å; V271-E295 PolarHBondContact O-N 3.48Å; V271-R296 PolarHBondContact O-N 3.4Å
272	E	95.3	Very high	95.6	Very high	22 Å²	22	25.6 Å²	25.6	10%	0.103	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	122	-174.9	-166.4	-180	147.6	0	0	112.1	Q247 K248 L249 W250 R296	Q247-E272 PolarHBondContact O-N 3.45Å; K248-E272 WeakPolarHBondContact CA-O 3.5Å; K248-E272 HydrophobicContact CB-CB 4.2Å; K248-E272 HydrophobicContact CG-CB 3.96Å; L249-E272 PolarHBondContact N-O 3.48Å; W250-E272 PolarHBondContact NE1-OE1 3.23Å; E272-R296 CarbonylContact C-O 3.6Å; E272-R296 VanDerWaalsContact CA-O 3.3Å; E272-R296 WeakPolarHBondContact CA-O 3.36Å; E272-R296 HydrophobicContact CG-CB 4.41Å; E272-R296 IonicContact OE1-NH1 3.71Å; E272-R296 IonicContact OE2-CZ 3.77Å; E272-R296 IonicContact OE2-NH1 2.65Å; E272-R296 PolarHBondContact OE2-NH1 3.1Å; E272-R296 IonicContact OE2-NH2 2.75Å; E272-R296 PolarHBondContact OE2-NH2 3.18Å
273	L	96	Very high	95.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	116.7	178.5	177.1	58.5	0	0	0	111	L249 F264 L270 L275 F288 L294 R296 V297 H298	L249-L273 HydrophobicContact CB-CD1 4.15Å; L249-L273 HydrophobicContact CD2-CD1 3.99Å; L249-L273 HydrophobicContact CG-CD1 4.01Å; F264-L273 HydrophobicContact CD2-CD2 4.3Å; F264-L273 HydrophobicContact CE2-CD2 3.97Å; F264-L273 HydrophobicContact CZ-CD2 4.47Å; L270-L273 HydrophobicContact CD2-CB 4.04Å; L270-L273 HydrophobicContact CD2-CD1 4.41Å; L270-L273 HydrophobicContact CD2-CD2 4.45Å; L273-L275 HydrophobicContact CD1-CD2 4.27Å; L273-L275 HydrophobicContact CD1-CG 4.13Å; L273-L275 HydrophobicContact CD2-CD1 4.11Å; L273-L275 HydrophobicContact CD2-CG 4.46Å; L273-L275 HydrophobicContact CG-CD1 4.29Å; L273-L275 HydrophobicContact CG-CG 4.1Å; L273-F288 HydrophobicContact CD2-CD1 4.43Å; L273-F288 HydrophobicContact CD2-CE1 3.71Å; L273-F288 HydrophobicContact CD2-CZ 4.26Å; L273-L294 HydrophobicContact CB-CD1 3.99Å; L273-R296 PolarHBondContact N-O 3.12Å; L273-V297 HydrophobicContact CB-CG1 4.34Å; L273-V297 HydrophobicContact CB-CG2 4.5Å; L273-V297 HydrophobicContact CD2-CG1 4.47Å; L273-V297 HydrophobicContact CG-CG1 4.43Å; L273-V297 CarbonylContact O-C 3.56Å; L273-V297 VanDerWaalsContact O-CA 3.29Å; L273-V297 WeakPolarHBondContact O-CA 3.3Å; L273-H298 PolarHBondContact O-N 2.93Å
274	N	96.2	Very high	95.7	Very high	22 Å²	22	24.9 Å²	24.9	12%	0.118	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	108.8	177.2	-172.7	-8.8	0	0	0	111.8	L249 M251 A276 H298	L249-N274 PolarHBondContact O-N 2.89Å; M251-N274 CarbonylContact C-O 3.17Å; M251-N274 WeakPolarHBondContact CA-O 3.36Å; M251-N274 PolarHBondContact N-O 3.11Å; N274-A276 WeakPolarHBondContact OD1-CB 3.29Å; N274-A276 PolarHBondContact OD1-N 3.22Å; N274-H298 HydrophobicContact CB-CB 4.16Å
275	L	96.6	Very high	95.6	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.138	C	C	.	.			trans	-112	17.2	175.7	-63.6	173.2	0	0	0	111.6	M251 I256 I259 L273 N278 L280 H298 L299 N302	M251-L275 HydrophobicContact CE-CD2 3.66Å; I256-L275 HydrophobicContact CD1-CD2 3.94Å; I259-L275 HydrophobicContact CD1-CD1 3.8Å; I259-L275 HydrophobicContact CD1-CD2 4.13Å; L273-L275 HydrophobicContact CD1-CD2 4.27Å; L273-L275 HydrophobicContact CD1-CG 4.13Å; L273-L275 HydrophobicContact CD2-CD1 4.11Å; L273-L275 HydrophobicContact CD2-CG 4.46Å; L273-L275 HydrophobicContact CG-CD1 4.29Å; L273-L275 HydrophobicContact CG-CG 4.1Å; L275-N278 VanDerWaalsContact C-ND2 3.28Å; L275-N278 PolarHBondContact O-ND2 3.43Å; L275-L280 HydrophobicContact CB-CD1 3.99Å; L275-L280 HydrophobicContact CD1-CD1 4.24Å; L275-H298 CarbonylContact C-O 3.34Å; L275-H298 PolarHBondContact N-O 3.07Å; L275-L299 HydrophobicContact CB-CD2 4.09Å; L275-L299 HydrophobicContact CD1-CD2 4Å; L275-N302 PolarHBondContact O-ND2 3.29Å
276	A	96.1	Very high	95.6	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	153.6	-171.6	0	0	0	0	0	113.4	M252 H253 N274 N278 H298 H300	M252-A276 CarbonylContact C-O 3.45Å; M252-A276 VanDerWaalsContact CA-O 3.26Å; M252-A276 WeakPolarHBondContact CA-O 3.4Å; M252-A276 HydrophobicContact CG-CB 4.29Å; M252-A276 WeakPolarHBondContact CG-O 3.45Å; H253-A276 PolarHBondContact N-O 3.44Å; N274-A276 WeakPolarHBondContact OD1-CB 3.29Å; N274-A276 PolarHBondContact OD1-N 3.22Å; A276-N278 PolarHBondContact O-N 3.43Å; A276-N278 PolarHBondContact O-ND2 2.87Å; A276-H298 HydrophobicContact CB-CB 4.28Å; A276-H298 PolarHBondContact N-O 3.17Å; A276-H298 VanDerWaalsContact N-O 3.13Å; A276-H300 VanDerWaalsContact CA-O 3.29Å; A276-H300 WeakPolarHBondContact CA-O 3.22Å; A276-H300 VanDerWaalsContact CB-CE1 3.42Å; A276-H300 WeakPolarHBondContact CB-CE1 3.28Å; A276-H300 WeakPolarHBondContact CB-ND1 3.29Å; A276-H300 WeakPolarHBondContact CB-O 3.39Å
277	H	96.7	Very high	95.8	Very high	47 Å²	47	25.4 Å²	25.4	22%	0.218	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	32.9	179.9	-55.8	-105.1	0	0	0	114.4	M252 H253 H300 H301	M252-H277 WeakPolarHBondContact CE-CD2 3.38Å; H253-H277 WeakPolarHBondContact CA-O 3.33Å; H253-H277 WeakPolarHBondContact CE1-CB 3.45Å; H253-H277 AromaticContact CE1-CG 3.61Å; H253-H277 AromaticContact CE1-ND1 3.63Å; H253-H277 WeakPolarHBondContact ND1-CB 3.18Å; H253-H277 AromaticContact NE2-CG 3.65Å; H253-H277 AromaticContact NE2-ND1 3.83Å; H277-H300 AromaticContact CD2-CE1 3.73Å; H277-H300 AromaticContact CD2-ND1 3.74Å; H277-H300 PolarHBondContact N-O 3Å; H277-H300 AromaticContact NE2-CE1 3.38Å; H277-H300 PolarHBondContact NE2-CE1 3.1Å; H277-H300 AromaticContact NE2-ND1 3.45Å; H277-H300 PolarHBondContact NE2-ND1 3.07Å; H277-H301 VanDerWaalsContact CA-O 3.28Å; H277-H301 WeakPolarHBondContact CA-O 3.48Å; H277-H301 HydrophobicContact CB-CB 4.32Å; H277-H301 AromaticContact CE1-CD2 3.79Å; H277-H301 AromaticContact CE1-CE1 3.66Å; H277-H301 AromaticContact CE1-CG 3.24Å; H277-H301 AromaticContact CE1-ND1 3.15Å; H277-H301 PolarHBondContact CE1-ND1 2.94Å; H277-H301 WeakPolarHBondContact ND1-CB 3.11Å; H277-H301 AromaticContact ND1-CG 3.6Å; H277-H301 AromaticContact ND1-ND1 3.96Å; H277-H301 AromaticContact NE2-CE1 3.93Å; H277-H301 AromaticContact NE2-CG 3.62Å; H277-H301 AromaticContact NE2-ND1 3.19Å; H277-H301 PolarHBondContact NE2-ND1 3.29Å; H277-H301 VanDerWaalsContact NE2-ND1 3.19Å
278	N	98.1	Very high	95.8	Very high	11 Å²	11	25.5 Å²	25.5	6%	0.059	14%	0.136	C	C	.	.	S	Bend	trans	-99.1	-171.3	169.5	-74.8	-69.5	0	0	0	110.5	M251 A254 Q255 I256 L275 A276 L280 N302	M251-N278 PolarHBondContact O-ND2 2.91Å; A254-N278 VanDerWaalsContact C-OD1 3.3Å; A254-N278 WeakPolarHBondContact CA-OD1 3.01Å; A254-N278 PolarHBondContact N-OD1 3.06Å; Q255-N278 PolarHBondContact N-OD1 3.22Å; I256-N278 HydrophobicContact CB-CB 4.11Å; I256-N278 PolarHBondContact N-OD1 3Å; L275-N278 VanDerWaalsContact C-ND2 3.28Å; L275-N278 PolarHBondContact O-ND2 3.43Å; A276-N278 PolarHBondContact O-N 3.43Å; A276-N278 PolarHBondContact O-ND2 2.87Å; N278-L280 HydrophobicContact CB-CD1 4.42Å; N278-L280 HydrophobicContact CB-CG 4.25Å; N278-N302 VanDerWaalsContact CA-OD1 3.26Å; N278-N302 WeakPolarHBondContact CA-OD1 3.35Å; N278-N302 WeakPolarHBondContact CB-OD1 3.41Å; N278-N302 PolarHBondContact N-OD1 2.88Å; N278-N302 PolarHBondContact O-OD1 2.99Å; N278-N302 VanDerWaalsContact O-OD1 3.05Å
279	N	97.5	Very high	95.7	Very high	78 Å²	78	23.3 Å²	23.3	42%	0.417	13%	0.13	S	C	.	.			trans	-109.4	30.7	179.2	-165.5	65.7	0	0	0	111.6	I256 Q257 T281	I256-N279 CarbonylContact O-C 3.39Å; I256-N279 VanDerWaalsContact O-C 3.31Å; I256-N279 WeakPolarHBondContact O-CA 3.29Å; I256-N279 PolarHBondContact O-N 2.77Å; Q257-N279 HydrophobicContact CG-CB 4.3Å; N279-T281 PolarHBondContact O-N 2.03Å
280	L	96.8	Very high	95.4	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.132	C	C	.	.			trans	-70.2	127	179.9	-64.5	166.3	0	0	0	110.7	I256 I259 L275 N278 L283 N302 P303 W304	I256-L280 HydrophobicContact CB-CD2 4.39Å; I256-L280 HydrophobicContact CG2-CD2 3.73Å; I256-L280 HydrophobicContact CG2-CG 4.44Å; I256-L280 PolarHBondContact O-N 2.8Å; I259-L280 HydrophobicContact CD1-CD1 4.13Å; I259-L280 HydrophobicContact CD1-CD2 3.93Å; I259-L280 HydrophobicContact CG1-CD2 4.01Å; L275-L280 HydrophobicContact CB-CD1 3.99Å; L275-L280 HydrophobicContact CD1-CD1 4.24Å; N278-L280 HydrophobicContact CB-CD1 4.42Å; N278-L280 HydrophobicContact CB-CG 4.25Å; L280-L283 HydrophobicContact CD1-CD2 4.36Å; L280-L283 HydrophobicContact CD2-CD2 4.39Å; L280-N302 HydrophobicContact CB-CB 4.23Å; L280-N302 WeakPolarHBondContact CB-OD1 3.44Å; L280-N302 PolarHBondContact N-OD1 2.95Å; L280-N302 VanDerWaalsContact N-OD1 3.15Å; L280-P303 CarbonylContact O-C 3.25Å; L280-P303 WeakPolarHBondContact O-CD 3.38Å; L280-W304 HydrophobicContact CB-CH2 3.61Å; L280-W304 HydrophobicContact CB-CZ2 4.25Å; L280-W304 HydrophobicContact CB-CZ3 3.8Å; L280-W304 HydrophobicContact CD1-CH2 3.93Å; L280-W304 HydrophobicContact CD1-CZ2 4.47Å; L280-W304 HydrophobicContact CG-CH2 4.39Å
281	T	96	Very high	95.2	Very high	67 Å²	67	24 Å²	24	41%	0.411	13%	0.133	S	C	.	.			trans	-98.6	-38.5	174.2	54.6	0	0	0	0	112	N279 P303 W304 N305	N279-T281 PolarHBondContact O-N 2.03Å; T281-P303 HydrophobicContact CG2-CG 4.21Å; T281-W304 CarbonylContact O-C 3.19Å; T281-W304 WeakPolarHBondContact O-CA 3.38Å; T281-N305 PolarHBondContact O-N 3.12Å
282	L	94.9	Very high	95.1	Very high	19 Å²	19	30.1 Å²	30.1	10%	0.099	16%	0.16	C	C	.	.			trans	-146.8	164.3	-178.9	-80.5	166.1	0	0	0	109.8	N305 D309 I310 L381	L282-N305 HydrophobicContact CD1-CB 4.45Å; L282-N305 VanDerWaalsContact CD2-O 3.25Å; L282-N305 WeakPolarHBondContact CD2-O 3.28Å; L282-N305 HydrophobicContact CG-CB 4.34Å; L282-D309 HydrophobicContact CD1-CB 4.35Å; L282-D309 HydrophobicContact CD2-CB 3.97Å; L282-I310 HydrophobicContact CD2-CB 4.35Å; L282-I310 HydrophobicContact CD2-CD1 3.82Å; L282-L381 HydrophobicContact CB-CD1 3.69Å; L282-L381 HydrophobicContact CB-CD2 3.85Å; L282-L381 HydrophobicContact CB-CG 4.44Å; L282-L381 HydrophobicContact CD1-CD1 3.35Å; L282-L381 HydrophobicContact CG-CD1 4.02Å
283	L	95.9	Very high	95	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	18%	0.18	C	C	.	.			trans	-123.4	144.4	173	-67	-179	0	0	0	109.8	I259 L280 L287 F288 W304 W312 L313	I259-L283 HydrophobicContact CD1-CD2 3.78Å; L280-L283 HydrophobicContact CD1-CD2 4.36Å; L280-L283 HydrophobicContact CD2-CD2 4.39Å; L283-L287 HydrophobicContact CB-CD2 4.26Å; L283-L287 HydrophobicContact CD1-CD2 4.35Å; L283-L287 HydrophobicContact CD2-CD2 4.05Å; L283-L287 HydrophobicContact CG-CD2 4.45Å; L283-F288 HydrophobicContact CD1-CE1 4.47Å; L283-F288 HydrophobicContact CD1-CE2 4.08Å; L283-F288 HydrophobicContact CD1-CZ 3.66Å; L283-W304 HydrophobicContact CD1-CH2 4.1Å; L283-W304 HydrophobicContact CD1-CZ3 4.45Å; L283-W304 HydrophobicContact CD2-CH2 4.1Å; L283-W304 HydrophobicContact CD2-CZ3 4.3Å; L283-W304 HydrophobicContact CG-CH2 3.84Å; L283-W304 HydrophobicContact CG-CZ3 3.83Å; L283-W312 HydrophobicContact CB-CZ2 3.82Å; L283-W312 HydrophobicContact CD1-CZ2 4.49Å; L283-L313 HydrophobicContact CD1-CD2 4.16Å
284	P	95.6	Very high	94.8	Very high	4 Å²	4	35 Å²	35	3%	0.026	18%	0.183	C	C	.	.			trans	-53	145.4	169.8	-26.9	33.4	0	0	0	113.5	I259 R261 L287 W312 L381	I259-P284 WeakPolarHBondContact O-CD 3.41Å; I259-P284 WeakPolarHBondContact O-CG 3.25Å; R261-P284 HydrophobicContact CG-CB 4.28Å; P284-L287 VanDerWaalsContact O-CB 3.32Å; P284-L287 WeakPolarHBondContact O-CB 3.23Å; P284-L287 PolarHBondContact O-N 3.03Å; P284-W312 WeakPolarHBondContact O-CZ2 3.43Å; P284-L381 WeakPolarHBondContact CA-O 3.3Å
285	H	95.3	Very high	94.4	Very high	24 Å²	24	39.9 Å²	39.9	11%	0.111	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	142.4	175.9	-157.6	-92.6	0	0	0	111.6	L287 W312 L381 S431	H285-L287 PolarHBondContact O-N 2.79Å; H285-L287 VanDerWaalsContact O-N 3.11Å; H285-W312 AromaticContact CD2-CD1 3.52Å; H285-W312 AromaticContact CD2-CG 3.79Å; H285-L381 WeakPolarHBondContact CB-O 3.45Å; H285-L381 PolarHBondContact N-O 3.28Å; H285-S431 PolarHBondContact CD2-N 2.92Å; H285-S431 PolarHBondContact CD2-OG 3.01Å; H285-S431 WeakPolarHBondContact NE2-CA 3.48Å; H285-S431 PolarHBondContact NE2-N 2.91Å; H285-S431 PolarHBondContact NE2-OG 3.13Å
286	D	92.5	Very high	94	Very high	55 Å²	55	44.1 Å²	44.1	29%	0.294	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	15.1	179.8	-65	-54.3	0	0	0	116.3	F288 T289 P290	D286-F288 PolarHBondContact O-N 2.91Å; D286-T289 WeakPolarHBondContact CA-OG1 3.12Å; D286-T289 WeakPolarHBondContact CB-OG1 3.49Å; D286-T289 WeakPolarHBondContact O-CB 3.48Å; D286-T289 PolarHBondContact O-N 3.25Å; D286-T289 PolarHBondContact O-OG1 3.27Å; D286-T289 PolarHBondContact OD1-OG1 2.67Å; D286-P290 VanDerWaalsContact O-CD 3.3Å; D286-P290 WeakPolarHBondContact O-CD 3.14Å
287	L	95.3	Very high	93.8	Very high	3 Å²	3	44.4 Å²	44.4	2%	0.016	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-25.6	-175.5	-179.3	67.1	0	0	0	114.2	I259 F264 L283 P284 H285 W312	I259-L287 HydrophobicContact CG2-CD1 4.21Å; I259-L287 HydrophobicContact CG2-CD2 3.93Å; F264-L287 HydrophobicContact CD2-CD1 3.78Å; F264-L287 HydrophobicContact CD2-CD2 4.07Å; F264-L287 HydrophobicContact CD2-CG 3.84Å; F264-L287 HydrophobicContact CE2-CD1 4.31Å; F264-L287 HydrophobicContact CE2-CD2 3.9Å; F264-L287 HydrophobicContact CE2-CG 4.21Å; F264-L287 HydrophobicContact CG-CD1 4.47Å; L283-L287 HydrophobicContact CB-CD2 4.26Å; L283-L287 HydrophobicContact CD1-CD2 4.35Å; L283-L287 HydrophobicContact CD2-CD2 4.05Å; L283-L287 HydrophobicContact CG-CD2 4.45Å; P284-L287 VanDerWaalsContact O-CB 3.32Å; P284-L287 WeakPolarHBondContact O-CB 3.23Å; P284-L287 PolarHBondContact O-N 3.03Å; H285-L287 PolarHBondContact O-N 2.79Å; H285-L287 VanDerWaalsContact O-N 3.11Å; L287-W312 HydrophobicContact CB-CH2 3.95Å; L287-W312 HydrophobicContact CB-CZ2 4.21Å
288	F	93.8	Very high	93.7	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.009	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-6	177.1	-54.3	-29.4	0	0	0	113.8	F264 L273 L283 D286 L291 L294 V297 L299 W312 L313 W316	F264-F288 HydrophobicContact CD2-CE1 4.41Å; F264-F288 HydrophobicContact CE2-CE1 4.39Å; L273-F288 HydrophobicContact CD2-CD1 4.43Å; L273-F288 HydrophobicContact CD2-CE1 3.71Å; L273-F288 HydrophobicContact CD2-CZ 4.26Å; L283-F288 HydrophobicContact CD1-CE1 4.47Å; L283-F288 HydrophobicContact CD1-CE2 4.08Å; L283-F288 HydrophobicContact CD1-CZ 3.66Å; D286-F288 PolarHBondContact O-N 2.91Å; F288-L291 HydrophobicContact CD1-CD1 4.07Å; F288-L291 WeakPolarHBondContact O-CB 3.26Å; F288-L291 PolarHBondContact O-N 3.27Å; F288-L294 HydrophobicContact CB-CD2 4.12Å; F288-L294 HydrophobicContact CD1-CD2 4.12Å; F288-L294 HydrophobicContact CG-CD2 4.04Å; F288-V297 HydrophobicContact CE2-CG1 4.33Å; F288-V297 HydrophobicContact CZ-CG1 4.22Å; F288-L299 HydrophobicContact CE2-CD1 4.46Å; F288-W312 HydrophobicContact CB-CZ3 4.22Å; F288-W312 AromaticContact CD2-CH2 3.83Å; F288-W312 HydrophobicContact CD2-CH2 3.83Å; F288-W312 AromaticContact CD2-CZ3 3.94Å; F288-W312 HydrophobicContact CD2-CZ3 3.94Å; F288-W312 HydrophobicContact CE2-CH2 4.18Å; F288-W312 HydrophobicContact CG-CH2 4.11Å; F288-W312 HydrophobicContact CG-CZ3 4.22Å; F288-L313 HydrophobicContact CD2-CD1 4.1Å; F288-L313 HydrophobicContact CE2-CD1 3.69Å; F288-W316 HydrophobicContact CB-CD2 4.38Å; F288-W316 HydrophobicContact CB-CZ2 4.31Å; F288-W316 AromaticContact CD2-CD2 3.97Å; F288-W316 HydrophobicContact CD2-CD2 3.97Å; F288-W316 HydrophobicContact CD2-CE3 4Å; F288-W316 HydrophobicContact CD2-CZ2 4.43Å; F288-W316 HydrophobicContact CD2-CZ3 4.28Å
289	T	90.6	Very high	93.5	Very high	71 Å²	71	43.7 Å²	43.7	44%	0.436	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-35.2	-176.4	-53.9	0	0	0	0	113.4	D286 L291 H292	D286-T289 WeakPolarHBondContact CA-OG1 3.12Å; D286-T289 WeakPolarHBondContact CB-OG1 3.49Å; D286-T289 WeakPolarHBondContact O-CB 3.48Å; D286-T289 PolarHBondContact O-N 3.25Å; D286-T289 PolarHBondContact O-OG1 3.27Å; D286-T289 PolarHBondContact OD1-OG1 2.67Å; T289-L291 VanDerWaalsContact C-N 3.28Å; T289-L291 PolarHBondContact O-N 3.26Å; T289-H292 PolarHBondContact O-CE1 2.81Å; T289-H292 PolarHBondContact O-ND1 3.09Å
290	P	91.7	Very high	93.3	Very high	40 Å²	40	42 Å²	42	26%	0.26	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-14.5	171.1	-20.1	33.6	0	0	0	115	D286 H292	D286-P290 VanDerWaalsContact O-CD 3.3Å; D286-P290 WeakPolarHBondContact O-CD 3.14Å; P290-H292 VanDerWaalsContact C-N 3.32Å; P290-H292 PolarHBondContact O-N 3Å; P290-H292 VanDerWaalsContact O-N 3.09Å
291	L	93.6	Very high	93.2	Very high	6 Å²	6	48.4 Å²	48.4	3%	0.031	24%	0.238	C	C	.	.			trans	-91.6	64.1	-169.2	-55.1	179.2	0	0	0	110.7	F264 L267 L270 F288 T289 H293 L294	F264-L291 HydrophobicContact CB-CD1 4.03Å; F264-L291 HydrophobicContact CB-CD2 4.38Å; F264-L291 WeakPolarHBondContact O-CD2 3.19Å; L267-L291 HydrophobicContact CB-CD2 4.12Å; L267-L291 WeakPolarHBondContact O-CD2 3.35Å; L270-L291 HydrophobicContact CD2-CD1 4.35Å; F288-L291 HydrophobicContact CD1-CD1 4.07Å; F288-L291 WeakPolarHBondContact O-CB 3.26Å; F288-L291 PolarHBondContact O-N 3.27Å; T289-L291 VanDerWaalsContact C-N 3.28Å; T289-L291 PolarHBondContact O-N 3.26Å; L291-H293 PolarHBondContact O-N 3.28Å; L291-L294 HydrophobicContact CB-CB 3.88Å; L291-L294 HydrophobicContact CB-CD2 4.06Å; L291-L294 HydrophobicContact CD1-CD2 3.82Å; L291-L294 WeakPolarHBondContact O-CB 3.46Å; L291-L294 PolarHBondContact O-N 3.31Å
292	H	91.8	Very high	93.3	Very high	161 Å²	161	45.8 Å²	45.8	75%	0.745	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-11.3	-170	-54.1	-37.8	0	0	0	115.9	T289 P290	T289-H292 PolarHBondContact O-CE1 2.81Å; T289-H292 PolarHBondContact O-ND1 3.09Å; P290-H292 VanDerWaalsContact C-N 3.32Å; P290-H292 PolarHBondContact O-N 3Å; P290-H292 VanDerWaalsContact O-N 3.09Å
293	H	93.6	Very high	93.4	Very high	115 Å²	115	46.6 Å²	46.6	53%	0.532	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.7	5.3	177.4	-58.8	105.4	0	0	0	113.6	Q268 L270 V271 L291 E295	Q268-H293 PolarHBondContact O-ND1 2.82Å; L270-H293 CarbonylContact O-C 3.56Å; V271-H293 WeakPolarHBondContact CA-O 3.48Å; V271-H293 HydrophobicContact CG2-CB 4.44Å; L291-H293 PolarHBondContact O-N 3.28Å; H293-E295 PolarHBondContact O-N 3.07Å
294	L	92.3	Very high	93.4	Very high	9 Å²	9	46.6 Å²	46.6	5%	0.047	23%	0.228	C	C	.	.			trans	-80.7	89.9	-168.2	-172.4	64.9	0	0	0	113.3	L270 L273 F288 L291 V297 W316	L270-L294 HydrophobicContact CD2-CD1 4.17Å; L270-L294 HydrophobicContact CG-CD1 4.18Å; L270-L294 VanDerWaalsContact O-CA 3.24Å; L270-L294 WeakPolarHBondContact O-CA 3.19Å; L270-L294 PolarHBondContact O-N 3.08Å; L273-L294 HydrophobicContact CB-CD1 3.99Å; F288-L294 HydrophobicContact CB-CD2 4.12Å; F288-L294 HydrophobicContact CD1-CD2 4.12Å; F288-L294 HydrophobicContact CG-CD2 4.04Å; L291-L294 HydrophobicContact CB-CB 3.88Å; L291-L294 HydrophobicContact CB-CD2 4.06Å; L291-L294 HydrophobicContact CD1-CD2 3.82Å; L291-L294 WeakPolarHBondContact O-CB 3.46Å; L291-L294 PolarHBondContact O-N 3.31Å; L294-V297 HydrophobicContact CD1-CG2 3.99Å; L294-V297 HydrophobicContact CD2-CG2 3.59Å; L294-V297 HydrophobicContact CG-CG2 3.65Å; L294-W316 HydrophobicContact CB-CZ2 4.38Å; L294-W316 HydrophobicContact CD2-CH2 4.19Å; L294-W316 HydrophobicContact CD2-CZ2 3.96Å; L294-W316 HydrophobicContact CG-CH2 4.29Å; L294-W316 HydrophobicContact CG-CZ2 4.18Å
295	E	88.1	Confident	93.4	Very high	125 Å²	125	48.7 Å²	48.7	58%	0.584	24%	0.239	S	C	*	.			trans	-80.1	-34.9	179.7	-62.1	175.9	170.1	0	0	114.1	V271 H293	V271-E295 HydrophobicContact CG1-CB 4.11Å; V271-E295 HydrophobicContact CG1-CG 4.03Å; V271-E295 PolarHBondContact O-N 3.48Å; H293-E295 PolarHBondContact O-N 3.07Å
296	R	89	Confident	93.4	Very high	88 Å²	88	47.5 Å²	47.5	33%	0.332	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	110.4	-163.7	-68.1	-179	-65.2	110.7	10.4	112.3	V271 E272 L273	V271-R296 PolarHBondContact O-N 3.4Å; E272-R296 CarbonylContact C-O 3.6Å; E272-R296 VanDerWaalsContact CA-O 3.3Å; E272-R296 WeakPolarHBondContact CA-O 3.36Å; E272-R296 HydrophobicContact CG-CB 4.41Å; E272-R296 IonicContact OE1-NH1 3.71Å; E272-R296 IonicContact OE2-CZ 3.77Å; E272-R296 IonicContact OE2-NH1 2.65Å; E272-R296 PolarHBondContact OE2-NH1 3.1Å; E272-R296 IonicContact OE2-NH2 2.75Å; E272-R296 PolarHBondContact OE2-NH2 3.18Å; L273-R296 PolarHBondContact N-O 3.12Å
297	V	91.8	Very high	93.5	Very high	6 Å²	6	47.1 Å²	47.1	4%	0.036	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	133.7	178.3	-167.7	0	0	0	0	110.6	L273 F288 L294 L299 W316 C327	L273-V297 HydrophobicContact CB-CG1 4.34Å; L273-V297 HydrophobicContact CB-CG2 4.5Å; L273-V297 HydrophobicContact CD2-CG1 4.47Å; L273-V297 HydrophobicContact CG-CG1 4.43Å; L273-V297 CarbonylContact O-C 3.56Å; L273-V297 VanDerWaalsContact O-CA 3.29Å; L273-V297 WeakPolarHBondContact O-CA 3.3Å; F288-V297 HydrophobicContact CE2-CG1 4.33Å; F288-V297 HydrophobicContact CZ-CG1 4.22Å; L294-V297 HydrophobicContact CD1-CG2 3.99Å; L294-V297 HydrophobicContact CD2-CG2 3.59Å; L294-V297 HydrophobicContact CG-CG2 3.65Å; V297-L299 HydrophobicContact CG1-CD1 4.33Å; V297-L299 HydrophobicContact CG1-CD2 3.62Å; V297-L299 HydrophobicContact CG1-CG 3.73Å; V297-W316 HydrophobicContact CB-CH2 4.44Å; V297-W316 HydrophobicContact CB-CZ3 4.37Å; V297-W316 HydrophobicContact CG2-CH2 3.48Å; V297-W316 VanDerWaalsContact CG2-CH2 3.48Å; V297-W316 HydrophobicContact CG2-CZ2 4.44Å; V297-W316 HydrophobicContact CG2-CZ3 3.84Å; V297-C327 PolarHBondContact O-SG 3.11Å
298	H	93.2	Very high	93.3	Very high	44 Å²	44	48.4 Å²	48.4	20%	0.204	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	102.7	177.3	-57.9	-101.7	0	0	0	110.1	L273 N274 L275 A276	L273-H298 PolarHBondContact O-N 2.93Å; N274-H298 HydrophobicContact CB-CB 4.16Å; L275-H298 CarbonylContact C-O 3.34Å; L275-H298 PolarHBondContact N-O 3.07Å; A276-H298 HydrophobicContact CB-CB 4.28Å; A276-H298 PolarHBondContact N-O 3.17Å; A276-H298 VanDerWaalsContact N-O 3.13Å
299	L	94	Very high	93.4	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.248	C	C	.	.			trans	-110.3	1.5	-177.2	-62	-174.1	0	0	0	113.9	L275 F288 V297 N302 W304 L313 A329	L275-L299 HydrophobicContact CB-CD2 4.09Å; L275-L299 HydrophobicContact CD1-CD2 4Å; F288-L299 HydrophobicContact CE2-CD1 4.46Å; V297-L299 HydrophobicContact CG1-CD1 4.33Å; V297-L299 HydrophobicContact CG1-CD2 3.62Å; V297-L299 HydrophobicContact CG1-CG 3.73Å; L299-N302 PolarHBondContact O-ND2 3.07Å; L299-N302 VanDerWaalsContact O-ND2 3.14Å; L299-W304 HydrophobicContact CB-CZ2 3.86Å; L299-W304 HydrophobicContact CD1-CZ2 4.37Å; L299-W304 HydrophobicContact CD2-CZ2 4.12Å; L299-W304 HydrophobicContact CG-CZ2 4.33Å; L299-W304 PolarHBondContact O-NE1 3.32Å; L299-L313 HydrophobicContact CD1-CD1 3.93Å; L299-L313 HydrophobicContact CD1-CD2 3.97Å; L299-L313 HydrophobicContact CD1-CG 4.43Å; L299-A329 HydrophobicContact CB-CB 3.89Å
300	H	92.8	Very high	93.5	Very high	41 Å²	41	46.5 Å²	46.5	19%	0.19	23%	0.228	C	C	.	.			trans	-67.6	158	-175.1	63.7	55.9	0	0	0	113.3	A276 H277 N302 C328	A276-H300 VanDerWaalsContact CA-O 3.29Å; A276-H300 WeakPolarHBondContact CA-O 3.22Å; A276-H300 VanDerWaalsContact CB-CE1 3.42Å; A276-H300 WeakPolarHBondContact CB-CE1 3.28Å; A276-H300 WeakPolarHBondContact CB-ND1 3.29Å; A276-H300 WeakPolarHBondContact CB-O 3.39Å; H277-H300 AromaticContact CD2-CE1 3.73Å; H277-H300 AromaticContact CD2-ND1 3.74Å; H277-H300 PolarHBondContact N-O 3Å; H277-H300 AromaticContact NE2-CE1 3.38Å; H277-H300 PolarHBondContact NE2-CE1 3.1Å; H277-H300 AromaticContact NE2-ND1 3.45Å; H277-H300 PolarHBondContact NE2-ND1 3.07Å; H300-N302 VanDerWaalsContact C-N 3.34Å; H300-N302 PolarHBondContact O-N 2.89Å; H300-C328 HydrophobicContact CB-CB 4.42Å
301	H	95.6	Very high	93.6	Very high	135 Å²	135	44.6 Å²	44.6	63%	0.625	22%	0.215	S	C	*	.	S	Bend	trans	58.6	38.7	-177.7	-62.7	97	0	0	0	114.4	H277	H277-H301 VanDerWaalsContact CA-O 3.28Å; H277-H301 WeakPolarHBondContact CA-O 3.48Å; H277-H301 HydrophobicContact CB-CB 4.32Å; H277-H301 AromaticContact CE1-CD2 3.79Å; H277-H301 AromaticContact CE1-CE1 3.66Å; H277-H301 AromaticContact CE1-CG 3.24Å; H277-H301 AromaticContact CE1-ND1 3.15Å; H277-H301 PolarHBondContact CE1-ND1 2.94Å; H277-H301 WeakPolarHBondContact ND1-CB 3.11Å; H277-H301 AromaticContact ND1-CG 3.6Å; H277-H301 AromaticContact ND1-ND1 3.96Å; H277-H301 AromaticContact NE2-CE1 3.93Å; H277-H301 AromaticContact NE2-CG 3.62Å; H277-H301 AromaticContact NE2-ND1 3.19Å; H277-H301 PolarHBondContact NE2-ND1 3.29Å; H277-H301 VanDerWaalsContact NE2-ND1 3.19Å
302	N	97	Very high	93.6	Very high	12 Å²	12	45 Å²	45	6%	0.064	22%	0.216	C	C	.	.	S	Bend	trans	-115.2	147.9	166.9	-78.9	-79.9	0	0	0	109.6	L275 N278 L280 L299 H300 W304	L275-N302 PolarHBondContact O-ND2 3.29Å; N278-N302 VanDerWaalsContact CA-OD1 3.26Å; N278-N302 WeakPolarHBondContact CA-OD1 3.35Å; N278-N302 WeakPolarHBondContact CB-OD1 3.41Å; N278-N302 PolarHBondContact N-OD1 2.88Å; N278-N302 PolarHBondContact O-OD1 2.99Å; N278-N302 VanDerWaalsContact O-OD1 3.05Å; L280-N302 HydrophobicContact CB-CB 4.23Å; L280-N302 WeakPolarHBondContact CB-OD1 3.44Å; L280-N302 PolarHBondContact N-OD1 2.95Å; L280-N302 VanDerWaalsContact N-OD1 3.15Å; L299-N302 PolarHBondContact O-ND2 3.07Å; L299-N302 VanDerWaalsContact O-ND2 3.14Å; H300-N302 VanDerWaalsContact C-N 3.34Å; H300-N302 PolarHBondContact O-N 2.89Å; N302-W304 HydrophobicContact CB-CD2 4.13Å; N302-W304 HydrophobicContact CB-CG 4.4Å; N302-W304 HydrophobicContact CB-CZ2 3.73Å; N302-W304 PolarHBondContact O-N 3.26Å
303	P	97	Very high	93.7	Very high	37 Å²	37	37.3 Å²	37.3	24%	0.24	18%	0.181	C	C	.	.			trans	-78	55.5	-178.5	34.3	-38.8	0	0	0	113.4	L280 T281 N305	L280-P303 CarbonylContact O-C 3.25Å; L280-P303 WeakPolarHBondContact O-CD 3.38Å; T281-P303 HydrophobicContact CG2-CG 4.21Å; P303-N305 PolarHBondContact O-N 3.46Å
304	W	96.9	Very high	93.7	Very high	1 Å²	1	31.9 Å²	31.9	0%	0.004	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.6	131.3	-173.5	-62.9	114.1	0	0	0	113.9	L280 T281 L283 L299 N302 I310 S332 S333 I342	L280-W304 HydrophobicContact CB-CH2 3.61Å; L280-W304 HydrophobicContact CB-CZ2 4.25Å; L280-W304 HydrophobicContact CB-CZ3 3.8Å; L280-W304 HydrophobicContact CD1-CH2 3.93Å; L280-W304 HydrophobicContact CD1-CZ2 4.47Å; L280-W304 HydrophobicContact CG-CH2 4.39Å; T281-W304 CarbonylContact O-C 3.19Å; T281-W304 WeakPolarHBondContact O-CA 3.38Å; L283-W304 HydrophobicContact CD1-CH2 4.1Å; L283-W304 HydrophobicContact CD1-CZ3 4.45Å; L283-W304 HydrophobicContact CD2-CH2 4.1Å; L283-W304 HydrophobicContact CD2-CZ3 4.3Å; L283-W304 HydrophobicContact CG-CH2 3.84Å; L283-W304 HydrophobicContact CG-CZ3 3.83Å; L299-W304 HydrophobicContact CB-CZ2 3.86Å; L299-W304 HydrophobicContact CD1-CZ2 4.37Å; L299-W304 HydrophobicContact CD2-CZ2 4.12Å; L299-W304 HydrophobicContact CG-CZ2 4.33Å; L299-W304 PolarHBondContact O-NE1 3.32Å; N302-W304 HydrophobicContact CB-CD2 4.13Å; N302-W304 HydrophobicContact CB-CG 4.4Å; N302-W304 HydrophobicContact CB-CZ2 3.73Å; N302-W304 PolarHBondContact O-N 3.26Å; W304-I310 HydrophobicContact CE3-CD1 4.15Å; W304-S332 PolarHBondContact O-N 3.32Å; W304-S333 PolarHBondContact O-N 3.47Å; W304-I342 HydrophobicContact CB-CD1 3.85Å; W304-I342 HydrophobicContact CD2-CD1 4.01Å; W304-I342 HydrophobicContact CG-CD1 3.55Å
305	N	96.3	Very high	93.6	Very high	47 Å²	47	36.2 Å²	36.2	25%	0.251	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	98.7	175.6	-177.8	47.1	0	0	0	109.9	T281 L282 P303 N307 S333	T281-N305 PolarHBondContact O-N 3.12Å; L282-N305 HydrophobicContact CD1-CB 4.45Å; L282-N305 VanDerWaalsContact CD2-O 3.25Å; L282-N305 WeakPolarHBondContact CD2-O 3.28Å; L282-N305 HydrophobicContact CG-CB 4.34Å; P303-N305 PolarHBondContact O-N 3.46Å; N305-N307 PolarHBondContact O-N 3.39Å; N305-S333 WeakPolarHBondContact CA-OG 3.22Å; N305-S333 WeakPolarHBondContact CB-OG 3.24Å; N305-S333 PolarHBondContact OD1-OG 3.5Å
306	C	95.1	Very high	93.7	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.148	C	C	.	.			trans	-81.1	86.6	-175	-64.3	0	0	0	0	111.4	I310 C331 S333 P334 H337 L345 F350	C306-I310 HydrophobicContact CB-CG2 4.18Å; C306-C331 HydrophobicContact CB-CB 3.83Å; C306-C331 WeakPolarHBondContact CB-SG 3.28Å; C306-C331 VanDerWaalsContact SG-CA 3.5Å; C306-C331 WeakPolarHBondContact SG-CB 3.45Å; C306-C331 CovalentContact SG-SG 2.03Å; C306-C331 PolarHBondContact SG-SG 2.97Å; C306-S333 PolarHBondContact N-O 3.34Å; C306-P334 WeakPolarHBondContact O-CD 3.23Å; C306-H337 HydrophobicContact CB-CB 4.49Å; C306-L345 HydrophobicContact CB-CD1 3.84Å; C306-F350 WeakPolarHBondContact O-CE1 3.25Å
307	N	93.3	Very high	93.8	Very high	46 Å²	46	27.9 Å²	27.9	25%	0.246	14%	0.135	C	C	.	.	S	Bend	trans	-114.9	-165.1	169	73.1	-14.9	0	0	0	109.9	N305 D309 I310	N305-N307 PolarHBondContact O-N 3.39Å; N307-D309 PolarHBondContact ND2-OD2 2.92Å; N307-D309 PolarHBondContact O-N 3.49Å; N307-D309 WeakPolarHBondContact OD1-CB 3.32Å; N307-D309 PolarHBondContact OD1-N 3.21Å; N307-D309 PolarHBondContact OD1-OD2 2.96Å; N307-I310 WeakPolarHBondContact O-CG2 3.37Å; N307-I310 PolarHBondContact O-N 3.44Å
308	C	92.9	Very high	93.5	Very high	31 Å²	31	34.6 Å²	34.6	21%	0.209	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-55.2	-30.7	175.7	-69.2	0	0	0	0	114.9	I310 L311 C352	C308-I310 PolarHBondContact O-N 3.04Å; C308-L311 WeakPolarHBondContact O-CB 3.36Å; C308-L311 PolarHBondContact O-N 3.46Å; C308-C352 HydrophobicContact CB-CB 3.81Å; C308-C352 WeakPolarHBondContact CB-SG 3.49Å; C308-C352 WeakPolarHBondContact SG-CA 3.19Å; C308-C352 WeakPolarHBondContact SG-CB 3.45Å; C308-C352 CovalentContact SG-SG 2.03Å; C308-C352 PolarHBondContact SG-SG 2.99Å
309	D	94.1	Very high	93.1	Very high	32 Å²	32	39.8 Å²	39.8	17%	0.171	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-74.4	-12.5	-176.4	-52.3	-60.5	0	0	0	112.7	L282 N307 W312 L381	L282-D309 HydrophobicContact CD1-CB 4.35Å; L282-D309 HydrophobicContact CD2-CB 3.97Å; N307-D309 PolarHBondContact ND2-OD2 2.92Å; N307-D309 PolarHBondContact O-N 3.49Å; N307-D309 WeakPolarHBondContact OD1-CB 3.32Å; N307-D309 PolarHBondContact OD1-N 3.21Å; N307-D309 PolarHBondContact OD1-OD2 2.96Å; D309-W312 PolarHBondContact O-NE1 2.69Å; D309-L381 HydrophobicContact CB-CB 4.47Å; D309-L381 HydrophobicContact CB-CD1 3.99Å
310	I	93.9	Very high	92.3	Very high	1 Å²	1	44 Å²	44	1%	0.005	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-85.4	-10.3	174.3	-145.2	75.3	0	0	0	113.1	L282 W304 C306 N307 C308 W312 L313 S314 I342 L345	L282-I310 HydrophobicContact CD2-CB 4.35Å; L282-I310 HydrophobicContact CD2-CD1 3.82Å; W304-I310 HydrophobicContact CE3-CD1 4.15Å; C306-I310 HydrophobicContact CB-CG2 4.18Å; N307-I310 WeakPolarHBondContact O-CG2 3.37Å; N307-I310 PolarHBondContact O-N 3.44Å; C308-I310 PolarHBondContact O-N 3.04Å; I310-W312 PolarHBondContact O-N 2.98Å; I310-L313 HydrophobicContact CD1-CD2 3.91Å; I310-L313 HydrophobicContact CG1-CD2 4.32Å; I310-L313 WeakPolarHBondContact O-CB 3.29Å; I310-L313 PolarHBondContact O-N 2.96Å; I310-L313 VanDerWaalsContact O-N 3.1Å; I310-S314 PolarHBondContact O-N 3.41Å; I310-I342 HydrophobicContact CD1-CD1 4.27Å; I310-I342 HydrophobicContact CG1-CD1 4.18Å; I310-I342 HydrophobicContact CG1-CG2 3.79Å; I310-L345 HydrophobicContact CG2-CD1 3.63Å
311	L	93.3	Very high	91.3	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-65.9	-42.4	-168	-79.2	175.9	0	0	0	113.4	C308 L313 S314 W315 Q347 F350	C308-L311 WeakPolarHBondContact O-CB 3.36Å; C308-L311 PolarHBondContact O-N 3.46Å; L311-L313 PolarHBondContact O-N 3.16Å; L311-S314 WeakPolarHBondContact O-CB 3.2Å; L311-S314 PolarHBondContact O-N 3.43Å; L311-S314 VanDerWaalsContact O-N 3.11Å; L311-W315 HydrophobicContact CB-CH2 4.2Å; L311-W315 HydrophobicContact CB-CZ2 3.99Å; L311-W315 HydrophobicContact CD1-CZ2 4.41Å; L311-W315 VanDerWaalsContact O-CD2 3.29Å; L311-W315 VanDerWaalsContact O-CG 3.28Å; L311-W315 PolarHBondContact O-N 3.39Å; L311-Q347 HydrophobicContact CD1-CB 4.5Å; L311-Q347 HydrophobicContact CD1-CG 4.15Å; L311-F350 HydrophobicContact CD1-CD2 4.24Å; L311-F350 HydrophobicContact CD2-CD2 3.78Å; L311-F350 HydrophobicContact CD2-CE2 3.88Å; L311-F350 HydrophobicContact CG-CD2 4.23Å
312	W	94.1	Very high	89.8	Confident	14 Å²	14	40.9 Å²	40.9	5%	0.053	20%	0.204	C	C	.	.	H	α-helix	trans	-56.2	-37.7	173.4	75.7	-87.4	0	0	0	112	L283 P284 H285 L287 F288 D309 I310 W315 W316 S431	L283-W312 HydrophobicContact CB-CZ2 3.82Å; L283-W312 HydrophobicContact CD1-CZ2 4.49Å; P284-W312 WeakPolarHBondContact O-CZ2 3.43Å; H285-W312 AromaticContact CD2-CD1 3.52Å; H285-W312 AromaticContact CD2-CG 3.79Å; L287-W312 HydrophobicContact CB-CH2 3.95Å; L287-W312 HydrophobicContact CB-CZ2 4.21Å; F288-W312 HydrophobicContact CB-CZ3 4.22Å; F288-W312 AromaticContact CD2-CH2 3.83Å; F288-W312 HydrophobicContact CD2-CH2 3.83Å; F288-W312 AromaticContact CD2-CZ3 3.94Å; F288-W312 HydrophobicContact CD2-CZ3 3.94Å; F288-W312 HydrophobicContact CE2-CH2 4.18Å; F288-W312 HydrophobicContact CG-CH2 4.11Å; F288-W312 HydrophobicContact CG-CZ3 4.22Å; D309-W312 PolarHBondContact O-NE1 2.69Å; I310-W312 PolarHBondContact O-N 2.98Å; W312-W315 PolarHBondContact O-N 3.41Å; W312-W316 HydrophobicContact CE3-CB 4.46Å; W312-W316 VanDerWaalsContact O-CB 3.3Å; W312-W316 WeakPolarHBondContact O-CB 3.32Å; W312-W316 PolarHBondContact O-N 3.31Å; W312-S431 WeakPolarHBondContact CB-OG 3.49Å; W312-S431 PolarHBondContact N-OG 3.15Å
313	L	93.7	Very high	87.9	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-73.6	-34.8	179	-179.1	65.2	0	0	0	112	L283 F288 L299 I310 L311 L317 I342	L283-L313 HydrophobicContact CD1-CD2 4.16Å; F288-L313 HydrophobicContact CD2-CD1 4.1Å; F288-L313 HydrophobicContact CE2-CD1 3.69Å; L299-L313 HydrophobicContact CD1-CD1 3.93Å; L299-L313 HydrophobicContact CD1-CD2 3.97Å; L299-L313 HydrophobicContact CD1-CG 4.43Å; I310-L313 HydrophobicContact CD1-CD2 3.91Å; I310-L313 HydrophobicContact CG1-CD2 4.32Å; I310-L313 WeakPolarHBondContact O-CB 3.29Å; I310-L313 PolarHBondContact O-N 2.96Å; I310-L313 VanDerWaalsContact O-N 3.1Å; L311-L313 PolarHBondContact O-N 3.16Å; L313-L317 HydrophobicContact CD1-CD1 4.27Å; L313-L317 HydrophobicContact CD1-CG 4.16Å; L313-L317 HydrophobicContact CG-CD1 4.03Å; L313-L317 HydrophobicContact CG-CG 4.37Å; L313-L317 VanDerWaalsContact O-CB 3.29Å; L313-L317 WeakPolarHBondContact O-CB 3.42Å; L313-L317 WeakPolarHBondContact O-CG 3.47Å; L313-L317 PolarHBondContact O-N 3.24Å; L313-I342 HydrophobicContact CD2-CG2 4.42Å; L313-I342 HydrophobicContact CG-CG2 4.35Å
314	S	92.4	Very high	85.9	Confident	1 Å²	1	51.6 Å²	51.6	1%	0.007	28%	0.275	C	S	.	.	H	α-helix	trans	-58.1	-50.3	169.9	175.2	0	0	0	0	110.8	I310 L311 L317 K318 I342 L345	I310-S314 PolarHBondContact O-N 3.41Å; L311-S314 WeakPolarHBondContact O-CB 3.2Å; L311-S314 PolarHBondContact O-N 3.43Å; L311-S314 VanDerWaalsContact O-N 3.11Å; S314-L317 PolarHBondContact O-N 2.93Å; S314-K318 VanDerWaalsContact O-CB 3.28Å; S314-K318 WeakPolarHBondContact O-CB 3.42Å; S314-K318 PolarHBondContact O-N 2.91Å; S314-I342 VanDerWaalsContact CB-O 3.25Å; S314-I342 WeakPolarHBondContact CB-O 3.26Å; S314-I342 PolarHBondContact OG-O 3.22Å; S314-L345 PolarHBondContact OG-O 3.42Å
315	W	91	Very high	84	Confident	100 Å²	100	54.7 Å²	54.7	38%	0.379	29%	0.294	S	S	.	.	H	α-helix	trans	-63.9	-46.7	179.9	-55	-28	0	0	0	111.8	L311 W312 L317 K318 E319 Q347 S431	L311-W315 HydrophobicContact CB-CH2 4.2Å; L311-W315 HydrophobicContact CB-CZ2 3.99Å; L311-W315 HydrophobicContact CD1-CZ2 4.41Å; L311-W315 VanDerWaalsContact O-CD2 3.29Å; L311-W315 VanDerWaalsContact O-CG 3.28Å; L311-W315 PolarHBondContact O-N 3.39Å; W312-W315 PolarHBondContact O-N 3.41Å; W315-L317 PolarHBondContact O-N 2.94Å; W315-K318 PolarHBondContact O-N 3.2Å; W315-K318 VanDerWaalsContact O-N 3.15Å; W315-E319 PolarHBondContact O-N 2.88Å; W315-Q347 HydrophobicContact CZ2-CB 4.28Å; W315-S431 VanDerWaalsContact CH2-O 3.31Å; W315-S431 WeakPolarHBondContact CH2-O 3.4Å
316	W	91.3	Very high	81.8	Confident	25 Å²	25	56.3 Å²	56.3	10%	0.095	31%	0.308	C	S	.	.	H	α-helix	trans	-58.5	-45.4	176.4	-172.8	92.2	0	0	0	112.2	F288 L294 V297 W312 K318 E319 M320 V321	F288-W316 HydrophobicContact CB-CD2 4.38Å; F288-W316 HydrophobicContact CB-CZ2 4.31Å; F288-W316 AromaticContact CD2-CD2 3.97Å; F288-W316 HydrophobicContact CD2-CD2 3.97Å; F288-W316 HydrophobicContact CD2-CE3 4Å; F288-W316 HydrophobicContact CD2-CZ2 4.43Å; F288-W316 HydrophobicContact CD2-CZ3 4.28Å; L294-W316 HydrophobicContact CB-CZ2 4.38Å; L294-W316 HydrophobicContact CD2-CH2 4.19Å; L294-W316 HydrophobicContact CD2-CZ2 3.96Å; L294-W316 HydrophobicContact CG-CH2 4.29Å; L294-W316 HydrophobicContact CG-CZ2 4.18Å; V297-W316 HydrophobicContact CB-CH2 4.44Å; V297-W316 HydrophobicContact CB-CZ3 4.37Å; V297-W316 HydrophobicContact CG2-CH2 3.48Å; V297-W316 VanDerWaalsContact CG2-CH2 3.48Å; V297-W316 HydrophobicContact CG2-CZ2 4.44Å; V297-W316 HydrophobicContact CG2-CZ3 3.84Å; W312-W316 HydrophobicContact CE3-CB 4.46Å; W312-W316 VanDerWaalsContact O-CB 3.3Å; W312-W316 WeakPolarHBondContact O-CB 3.32Å; W312-W316 PolarHBondContact O-N 3.31Å; W316-K318 VanDerWaalsContact C-N 3.34Å; W316-K318 PolarHBondContact O-N 3.19Å; W316-E319 PolarHBondContact O-N 2.91Å; W316-M320 HydrophobicContact CD2-CB 4.34Å; W316-M320 HydrophobicContact CD2-CG 4.18Å; W316-M320 HydrophobicContact CG-CG 4.43Å; W316-M320 HydrophobicContact CH2-CB 4.04Å; W316-M320 HydrophobicContact CZ2-CB 3.9Å; W316-M320 HydrophobicContact CZ2-CG 3.95Å; W316-M320 HydrophobicContact CZ3-CB 4.37Å; W316-M320 WeakPolarHBondContact O-CB 3.24Å; W316-M320 PolarHBondContact O-N 2.99Å; W316-V321 HydrophobicContact CZ3-CG2 4.17Å
317	L	89.6	Confident	80.2	Confident	12 Å²	12	57.3 Å²	57.3	6%	0.063	32%	0.315	C	S	.	.	H	α-helix	trans	-64	-38.2	176.3	-74.2	170.1	0	0	0	112.2	L313 S314 W315 E319 V321 I342	L313-L317 HydrophobicContact CD1-CD1 4.27Å; L313-L317 HydrophobicContact CD1-CG 4.16Å; L313-L317 HydrophobicContact CG-CD1 4.03Å; L313-L317 HydrophobicContact CG-CG 4.37Å; L313-L317 VanDerWaalsContact O-CB 3.29Å; L313-L317 WeakPolarHBondContact O-CB 3.42Å; L313-L317 WeakPolarHBondContact O-CG 3.47Å; L313-L317 PolarHBondContact O-N 3.24Å; S314-L317 PolarHBondContact O-N 2.93Å; W315-L317 PolarHBondContact O-N 2.94Å; L317-E319 VanDerWaalsContact C-N 3.34Å; L317-V321 HydrophobicContact CD2-CG2 3.79Å; L317-V321 WeakPolarHBondContact O-CB 3.39Å; L317-V321 PolarHBondContact O-N 3.36Å; L317-V321 VanDerWaalsContact O-N 3.16Å; L317-I342 HydrophobicContact CD1-CB 3.98Å; L317-I342 HydrophobicContact CD1-CG2 3.9Å
318	K	86.6	Confident	79	Confident	148 Å²	148	57.8 Å²	57.8	64%	0.643	32%	0.321	S	S	*	.	H	α-helix	trans	-70.6	-27.8	180	-178.2	178.6	176.7	-177.5	0	113.2	S314 W315 W316	S314-K318 VanDerWaalsContact O-CB 3.28Å; S314-K318 WeakPolarHBondContact O-CB 3.42Å; S314-K318 PolarHBondContact O-N 2.91Å; W315-K318 PolarHBondContact O-N 3.2Å; W315-K318 VanDerWaalsContact O-N 3.15Å; W316-K318 VanDerWaalsContact C-N 3.34Å; W316-K318 PolarHBondContact O-N 3.19Å
319	E	85.1	Confident	78.9	Confident	153 Å²	153	56.3 Å²	56.3	72%	0.715	31%	0.312	S	S	*	.	H	α-helix	trans	-88.4	-47.7	177.7	-174.2	171.9	-169.8	0	0	112.3	W315 W316 L317	W315-E319 PolarHBondContact O-N 2.88Å; W316-E319 PolarHBondContact O-N 2.91Å; L317-E319 VanDerWaalsContact C-N 3.34Å
320	M	77.2	Confident	78.8	Confident	88 Å²	88	59.9 Å²	59.9	43%	0.433	32%	0.323	S	S	.	.	H	α-helix	trans	-92.3	-22.2	-168.1	-60.9	-64.1	170.4	0	0	114.7	W316 P322	W316-M320 HydrophobicContact CD2-CB 4.34Å; W316-M320 HydrophobicContact CD2-CG 4.18Å; W316-M320 HydrophobicContact CG-CG 4.43Å; W316-M320 HydrophobicContact CH2-CB 4.04Å; W316-M320 HydrophobicContact CZ2-CB 3.9Å; W316-M320 HydrophobicContact CZ2-CG 3.95Å; W316-M320 HydrophobicContact CZ3-CB 4.37Å; W316-M320 WeakPolarHBondContact O-CB 3.24Å; W316-M320 PolarHBondContact O-N 2.99Å; M320-P322 WeakPolarHBondContact O-CD 3.41Å
321	V	70.3	Confident	78.9	Confident	24 Å²	24	60.1 Å²	60.1	15%	0.145	32%	0.324	C	S	.	.	S	Bend	trans	-103.9	114.1	-175.4	-173.9	0	0	0	0	110.9	W316 L317 T325 C327	W316-V321 HydrophobicContact CZ3-CG2 4.17Å; L317-V321 HydrophobicContact CD2-CG2 3.79Å; L317-V321 WeakPolarHBondContact O-CB 3.39Å; L317-V321 PolarHBondContact O-N 3.36Å; L317-V321 VanDerWaalsContact O-N 3.16Å; V321-T325 HydrophobicContact CG1-CG2 4.38Å; V321-C327 HydrophobicContact CG1-CB 4.1Å
322	P	64.9	Low	79.1	Confident	86 Å²	86	62.6 Å²	62.6	56%	0.558	34%	0.342	S	S	*	.			trans	-57.5	142.6	174.8	-25	33.2	0	0	0	112	M320 N324 T325	M320-P322 WeakPolarHBondContact O-CD 3.41Å; P322-N324 PolarHBondContact O-N 3.27Å; P322-T325 WeakPolarHBondContact O-CB 3.04Å; P322-T325 PolarHBondContact O-N 3.48Å; P322-T325 PolarHBondContact O-OG1 3.1Å
323	A	57	Low	79.1	Confident	108 Å²	108	63.8 Å²	63.8	89%	0.893	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-13.7	-173.8	0	0	0	0	0	115.7
324	N	54.4	Low	79.2	Confident	167 Å²	167	66.3 Å²	66.3	89%	0.893	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-2	178	-64.2	-8.8	0	0	0	113.4	P322	P322-N324 PolarHBondContact O-N 3.27Å
325	T	56.8	Low	79.3	Confident	66 Å²	66	70.8 Å²	70.8	41%	0.405	41%	0.406	S	S	.	.	S	Bend	trans	-94.3	137.4	-172.9	-37.5	0	0	0	0	111.5	V321 P322 C327	V321-T325 HydrophobicContact CG1-CG2 4.38Å; P322-T325 WeakPolarHBondContact O-CB 3.04Å; P322-T325 PolarHBondContact O-N 3.48Å; P322-T325 PolarHBondContact O-OG1 3.1Å; T325-C327 PolarHBondContact O-N 2.97Å
326	S	51.7	Low	79.3	Confident	80 Å²	80	69.7 Å²	69.7	56%	0.559	41%	0.413	S	S	*	.			trans	-78.8	39.2	-167.2	53.2	0	0	0	0	116.2	C328	S326-C328 PolarHBondContact O-N 3.24Å
327	C	60.2	Low	79.3	Confident	22 Å²	22	69.4 Å²	69.4	15%	0.149	41%	0.413	C	S	.	.			trans	-77.3	65.1	171.6	-165.9	0	0	0	0	111.5	V297 V321 T325 A329	V297-C327 PolarHBondContact O-SG 3.11Å; V321-C327 HydrophobicContact CG1-CB 4.1Å; T325-C327 PolarHBondContact O-N 2.97Å; C327-A329 PolarHBondContact O-N 3.06Å
328	C	69.2	Low	79.5	Confident	55 Å²	55	75.6 Å²	75.6	37%	0.372	44%	0.439	S	S	.	.			trans	-76.4	49.9	-175.9	-63	0	0	0	0	113.2	H300 S326 R330 Y341	H300-C328 HydrophobicContact CB-CB 4.42Å; S326-C328 PolarHBondContact O-N 3.24Å; C328-R330 PolarHBondContact O-N 2.99Å; C328-Y341 HydrophobicContact CB-CE1 4.28Å
329	A	89.6	Confident	79.7	Confident	1 Å²	1	70.2 Å²	70.2	1%	0.008	43%	0.426	C	S	.	.			trans	-69.7	123.9	171.2	0	0	0	0	0	109.8	L299 C327 Y341 I342	L299-A329 HydrophobicContact CB-CB 3.89Å; C327-A329 PolarHBondContact O-N 3.06Å; A329-Y341 WeakPolarHBondContact O-CA 3.4Å; A329-I342 HydrophobicContact CB-CB 4.43Å; A329-I342 HydrophobicContact CB-CD1 3.84Å; A329-I342 HydrophobicContact CB-CG1 4.14Å; A329-I342 PolarHBondContact O-N 3.21Å
330	R	93.1	Very high	80	Confident	107 Å²	107	67.3 Å²	67.3	40%	0.404	41%	0.408	S	S	.	.	B	Isolated β-bridge	trans	-126.5	146.6	-179.3	-64.5	-178.3	-174.4	-76.6	-2.3	111.5	C328 G339 R340 Y341	C328-R330 PolarHBondContact O-N 2.99Å; R330-G339 WeakPolarHBondContact CD-O 3.32Å; R330-G339 PolarHBondContact NH1-O 3.39Å; R330-R340 CarbonylContact C-O 3.47Å; R330-R340 WeakPolarHBondContact CA-O 3.49Å; R330-Y341 HydrophobicContact CG-CD1 4.09Å; R330-Y341 HydrophobicContact CG-CE1 4.45Å; R330-Y341 VanDerWaalsContact CZ-CE1 3.44Å; R330-Y341 VanDerWaalsContact CZ-CZ 3.48Å; R330-Y341 VanDerWaalsContact NH2-CE1 3.34Å; R330-Y341 PolarHBondContact NH2-OH 2.85Å
331	C	95.6	Very high	80.7	Confident	5 Å²	5	67.2 Å²	67.2	3%	0.034	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	135.1	172.4	-55	0	0	0	0	111.8	C306 H337 K338 G339 R340	C306-C331 HydrophobicContact CB-CB 3.83Å; C306-C331 WeakPolarHBondContact CB-SG 3.28Å; C306-C331 VanDerWaalsContact SG-CA 3.5Å; C306-C331 WeakPolarHBondContact SG-CB 3.45Å; C306-C331 CovalentContact SG-SG 2.03Å; C306-C331 PolarHBondContact SG-SG 2.97Å; C331-H337 HydrophobicContact CB-CB 4.37Å; C331-H337 VanDerWaalsContact CB-O 3.29Å; C331-H337 WeakPolarHBondContact CB-O 3.46Å; C331-K338 CarbonylContact O-C 3.1Å; C331-K338 WeakPolarHBondContact O-CA 3.46Å; C331-G339 PolarHBondContact O-N 2.99Å; C331-R340 PolarHBondContact N-O 2.99Å
332	S	97.1	Very high	81.8	Confident	52 Å²	52	66.1 Å²	66.1	36%	0.364	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	-38.9	167.9	-170.6	0	0	0	0	111.4	W304 K338	W304-S332 PolarHBondContact O-N 3.32Å; S332-K338 WeakPolarHBondContact O-CD 3.14Å; S332-K338 WeakPolarHBondContact O-CG 3.39Å
333	S	95.3	Very high	82.9	Confident	40 Å²	40	63.3 Å²	63.3	28%	0.28	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	164.9	174.9	56.2	0	0	0	0	110.8	W304 N305 C306	W304-S333 PolarHBondContact O-N 3.47Å; N305-S333 WeakPolarHBondContact CA-OG 3.22Å; N305-S333 WeakPolarHBondContact CB-OG 3.24Å; N305-S333 PolarHBondContact OD1-OG 3.5Å; C306-S333 PolarHBondContact N-O 3.34Å
334	P	95.3	Very high	84.3	Confident	53 Å²	53	64 Å²	64	34%	0.344	37%	0.368	S	S	.	.	S	Bend	cis	-69.1	171.1	-15	33.5	-36.5	0	0	0	111.6	C306 S336 H337 K338	C306-P334 WeakPolarHBondContact O-CD 3.23Å; P334-S336 PolarHBondContact O-N 2.94Å; P334-S336 VanDerWaalsContact O-N 3.12Å; P334-H337 PolarHBondContact O-N 3.41Å; P334-K338 PolarHBondContact O-N 3.42Å; P334-K338 VanDerWaalsContact O-N 3.13Å
335	A	93.2	Very high	86	Confident	95 Å²	95	56.2 Å²	56.2	79%	0.785	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-27.5	-173	0	0	0	0	0	114.3	H337	A335-H337 VanDerWaalsContact C-N 3.29Å; A335-H337 PolarHBondContact O-N 2.95Å
336	S	92.2	Very high	87.5	Confident	76 Å²	76	56.2 Å²	56.2	53%	0.531	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-24.8	176.5	50.5	0	0	0	0	114.7	P334	P334-S336 PolarHBondContact O-N 2.94Å; P334-S336 VanDerWaalsContact O-N 3.12Å
337	H	91	Very high	89.2	Confident	19 Å²	19	57 Å²	57	9%	0.088	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.9	-5.2	-176.4	-53.2	-59.1	0	0	0	113.2	C306 C331 P334 A335 G339 R340	C306-H337 HydrophobicContact CB-CB 4.49Å; C331-H337 HydrophobicContact CB-CB 4.37Å; C331-H337 VanDerWaalsContact CB-O 3.29Å; C331-H337 WeakPolarHBondContact CB-O 3.46Å; P334-H337 PolarHBondContact O-N 3.41Å; A335-H337 VanDerWaalsContact C-N 3.29Å; A335-H337 PolarHBondContact O-N 2.95Å; H337-G339 PolarHBondContact O-N 2.74Å; H337-R340 VanDerWaalsContact O-CB 3.26Å; H337-R340 WeakPolarHBondContact O-CB 3.28Å; H337-R340 VanDerWaalsContact O-CG 3.29Å; H337-R340 WeakPolarHBondContact O-CG 3.26Å; H337-R340 PolarHBondContact O-N 3.32Å
338	K	93.6	Very high	90.5	Very high	142 Å²	142	62.8 Å²	62.8	62%	0.617	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.7	128.1	180	-175	171.8	-172.7	173.2	0	112.1	C331 S332 P334 R340	C331-K338 CarbonylContact O-C 3.1Å; C331-K338 WeakPolarHBondContact O-CA 3.46Å; S332-K338 WeakPolarHBondContact O-CD 3.14Å; S332-K338 WeakPolarHBondContact O-CG 3.39Å; P334-K338 PolarHBondContact O-N 3.42Å; P334-K338 VanDerWaalsContact O-N 3.13Å; K338-R340 VanDerWaalsContact C-N 3.35Å; K338-R340 PolarHBondContact O-N 3.28Å
339	G	91.5	Very high	91.3	Very high	35 Å²	35	65.7 Å²	65.7	36%	0.361	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.7	-19.1	-179.1	0	0	0	0	0	115.8	R330 C331 H337	R330-G339 WeakPolarHBondContact CD-O 3.32Å; R330-G339 PolarHBondContact NH1-O 3.39Å; C331-G339 PolarHBondContact O-N 2.99Å; H337-G339 PolarHBondContact O-N 2.74Å
340	R	91.3	Very high	91.4	Very high	93 Å²	93	66.9 Å²	66.9	35%	0.351	36%	0.358	S	S	.	.			trans	-63	149.3	173.2	-61.6	-177.3	-172.1	-141.3	1.9	110.7	R330 C331 H337 K338 Y349	R330-R340 CarbonylContact C-O 3.47Å; R330-R340 WeakPolarHBondContact CA-O 3.49Å; C331-R340 PolarHBondContact N-O 2.99Å; H337-R340 VanDerWaalsContact O-CB 3.26Å; H337-R340 WeakPolarHBondContact O-CB 3.28Å; H337-R340 VanDerWaalsContact O-CG 3.29Å; H337-R340 WeakPolarHBondContact O-CG 3.26Å; H337-R340 PolarHBondContact O-N 3.32Å; K338-R340 VanDerWaalsContact C-N 3.35Å; K338-R340 PolarHBondContact O-N 3.28Å; R340-Y349 VanDerWaalsContact NH1-CZ 3.34Å; R340-Y349 PolarHBondContact NH1-OH 3.06Å
341	Y	91.4	Very high	91.3	Very high	85 Å²	85	69.9 Å²	69.9	33%	0.333	38%	0.376	S	S	.	.	B	Isolated β-bridge	trans	-76	148.1	172.9	-62.3	-83.9	0	0	0	110.7	C328 A329 R330 E344	C328-Y341 HydrophobicContact CB-CE1 4.28Å; A329-Y341 WeakPolarHBondContact O-CA 3.4Å; R330-Y341 HydrophobicContact CG-CD1 4.09Å; R330-Y341 HydrophobicContact CG-CE1 4.45Å; R330-Y341 VanDerWaalsContact CZ-CE1 3.44Å; R330-Y341 VanDerWaalsContact CZ-CZ 3.48Å; R330-Y341 VanDerWaalsContact NH2-CE1 3.34Å; R330-Y341 PolarHBondContact NH2-OH 2.85Å; Y341-E344 WeakPolarHBondContact CD2-OE1 3.18Å; Y341-E344 WeakPolarHBondContact CD2-OE2 3.25Å; Y341-E344 PolarHBondContact O-N 2.65Å
342	I	92.4	Very high	91.1	Very high	1 Å²	1	71.1 Å²	71.1	1%	0.005	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-69	-42.6	-175.8	-63	-177.1	0	0	0	112.1	W304 I310 L313 S314 L317 A329 E344 L345	W304-I342 HydrophobicContact CB-CD1 3.85Å; W304-I342 HydrophobicContact CD2-CD1 4.01Å; W304-I342 HydrophobicContact CG-CD1 3.55Å; I310-I342 HydrophobicContact CD1-CD1 4.27Å; I310-I342 HydrophobicContact CG1-CD1 4.18Å; I310-I342 HydrophobicContact CG1-CG2 3.79Å; L313-I342 HydrophobicContact CD2-CG2 4.42Å; L313-I342 HydrophobicContact CG-CG2 4.35Å; S314-I342 VanDerWaalsContact CB-O 3.25Å; S314-I342 WeakPolarHBondContact CB-O 3.26Å; S314-I342 PolarHBondContact OG-O 3.22Å; L317-I342 HydrophobicContact CD1-CB 3.98Å; L317-I342 HydrophobicContact CD1-CG2 3.9Å; A329-I342 HydrophobicContact CB-CB 4.43Å; A329-I342 HydrophobicContact CB-CD1 3.84Å; A329-I342 HydrophobicContact CB-CG1 4.14Å; A329-I342 PolarHBondContact O-N 3.21Å; I342-E344 PolarHBondContact O-N 3.42Å; I342-E344 VanDerWaalsContact O-N 3.12Å; I342-L345 HydrophobicContact CG2-CD1 4.3Å; I342-L345 VanDerWaalsContact O-CB 3.28Å; I342-L345 WeakPolarHBondContact O-CB 3.5Å; I342-L345 VanDerWaalsContact O-CG 3.28Å; I342-L345 WeakPolarHBondContact O-CG 3.37Å; I342-L345 PolarHBondContact O-N 3.48Å
343	G	88.4	Confident	90.9	Very high	27 Å²	27	77.3 Å²	77.3	28%	0.278	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-69	-3.5	178	0	0	0	0	0	115.6
344	E	87.9	Confident	90.8	Very high	123 Å²	123	77.6 Å²	77.6	58%	0.575	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-94.9	-1.3	171.9	-64.7	174.8	167.2	0	0	112.4	Y341 I342 D346	Y341-E344 WeakPolarHBondContact CD2-OE1 3.18Å; Y341-E344 WeakPolarHBondContact CD2-OE2 3.25Å; Y341-E344 PolarHBondContact O-N 2.65Å; I342-E344 PolarHBondContact O-N 3.42Å; I342-E344 VanDerWaalsContact O-N 3.12Å; E344-D346 PolarHBondContact O-N 2.92Å
345	L	89.9	Confident	90.8	Very high	3 Å²	3	75.3 Å²	75.3	2%	0.016	39%	0.391	C	S	.	.			trans	-82.1	108.8	-177	-62.7	175.2	0	0	0	111.2	C306 I310 S314 I342 F350	C306-L345 HydrophobicContact CB-CD1 3.84Å; I310-L345 HydrophobicContact CG2-CD1 3.63Å; S314-L345 PolarHBondContact OG-O 3.42Å; I342-L345 HydrophobicContact CG2-CD1 4.3Å; I342-L345 VanDerWaalsContact O-CB 3.28Å; I342-L345 WeakPolarHBondContact O-CB 3.5Å; I342-L345 VanDerWaalsContact O-CG 3.28Å; I342-L345 WeakPolarHBondContact O-CG 3.37Å; I342-L345 PolarHBondContact O-N 3.48Å; L345-F350 HydrophobicContact CB-CE2 4.34Å; L345-F350 HydrophobicContact CD2-CZ 4.43Å
346	D	87.3	Confident	90.8	Very high	66 Å²	66	76.2 Å²	76.2	35%	0.353	39%	0.386	S	S	.	.			trans	-82.4	150.6	172.2	-161.8	-77.3	0	0	0	111.9	E344 N348 Y349 F350	E344-D346 PolarHBondContact O-N 2.92Å; D346-N348 PolarHBondContact O-N 3.1Å; D346-N348 WeakPolarHBondContact OD1-CB 3.37Å; D346-N348 PolarHBondContact OD1-N 3.36Å; D346-N348 PolarHBondContact OD1-ND2 2.98Å; D346-Y349 HydrophobicContact CB-CD2 4.01Å; D346-Y349 HydrophobicContact CB-CE2 3.95Å; D346-Y349 WeakPolarHBondContact O-CD2 3.29Å; D346-Y349 PolarHBondContact O-N 2.82Å; D346-F350 WeakPolarHBondContact O-CD2 2.98Å
347	Q	88	Confident	90.9	Very high	96 Å²	96	73.8 Å²	73.8	45%	0.449	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-59.6	-30.5	175.4	-172.2	175.2	8	0	0	112.1	L311 W315 Y349 F350	L311-Q347 HydrophobicContact CD1-CB 4.5Å; L311-Q347 HydrophobicContact CD1-CG 4.15Å; W315-Q347 HydrophobicContact CZ2-CB 4.28Å; Q347-Y349 PolarHBondContact O-N 3.48Å; Q347-F350 PolarHBondContact O-N 3.06Å; Q347-F350 VanDerWaalsContact O-O 3.09Å
348	N	87.7	Confident	91.1	Very high	145 Å²	145	78.4 Å²	78.4	78%	0.775	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-60.8	-13.3	179.3	-73.6	-75.8	0	0	0	114.5	D346 F350	D346-N348 PolarHBondContact O-N 3.1Å; D346-N348 WeakPolarHBondContact OD1-CB 3.37Å; D346-N348 PolarHBondContact OD1-N 3.36Å; D346-N348 PolarHBondContact OD1-ND2 2.98Å; N348-F350 VanDerWaalsContact C-N 3.32Å
349	Y	86.1	Confident	91.1	Very high	116 Å²	116	74.9 Å²	74.9	46%	0.455	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-81.2	-7.1	172.1	-64	-63.3	0	0	0	114	R340 D346 Q347	R340-Y349 VanDerWaalsContact NH1-CZ 3.34Å; R340-Y349 PolarHBondContact NH1-OH 3.06Å; D346-Y349 HydrophobicContact CB-CD2 4.01Å; D346-Y349 HydrophobicContact CB-CE2 3.95Å; D346-Y349 WeakPolarHBondContact O-CD2 3.29Å; D346-Y349 PolarHBondContact O-N 2.82Å; Q347-Y349 PolarHBondContact O-N 3.48Å
350	F	90.4	Very high	91.3	Very high	26 Å²	26	76.7 Å²	76.7	11%	0.114	39%	0.388	C	S	.	.			trans	-136.3	143	-169.2	-50.8	-82.1	0	0	0	112.9	C306 L311 L345 D346 Q347 N348 C352	C306-F350 WeakPolarHBondContact O-CE1 3.25Å; L311-F350 HydrophobicContact CD1-CD2 4.24Å; L311-F350 HydrophobicContact CD2-CD2 3.78Å; L311-F350 HydrophobicContact CD2-CE2 3.88Å; L311-F350 HydrophobicContact CG-CD2 4.23Å; L345-F350 HydrophobicContact CB-CE2 4.34Å; L345-F350 HydrophobicContact CD2-CZ 4.43Å; D346-F350 WeakPolarHBondContact O-CD2 2.98Å; Q347-F350 PolarHBondContact O-N 3.06Å; Q347-F350 VanDerWaalsContact O-O 3.09Å; N348-F350 VanDerWaalsContact C-N 3.32Å; F350-C352 WeakPolarHBondContact CB-SG 3.45Å
351	H	90.8	Very high	91.6	Very high	170 Å²	170	73 Å²	73	79%	0.787	38%	0.376	S	S	*	.			trans	-103.3	100.4	169.5	-62.4	-46	0	0	0	109
352	C	92.8	Very high	91.9	Very high	30 Å²	30	72.4 Å²	72.4	20%	0.203	39%	0.388	C	S	.	.			trans	-112.6	148.8	-172.2	-53.1	0	0	0	0	111.4	C308 F350 A432	C308-C352 HydrophobicContact CB-CB 3.81Å; C308-C352 WeakPolarHBondContact CB-SG 3.49Å; C308-C352 WeakPolarHBondContact SG-CA 3.19Å; C308-C352 WeakPolarHBondContact SG-CB 3.45Å; C308-C352 CovalentContact SG-SG 2.03Å; C308-C352 PolarHBondContact SG-SG 2.99Å; F350-C352 WeakPolarHBondContact CB-SG 3.45Å; C352-A432 HydrophobicContact CB-CB 3.78Å
353	Y	92.7	Very high	92.1	Very high	182 Å²	182	77.9 Å²	77.9	71%	0.714	42%	0.418	S	S	*	.			trans	-130.1	155.3	-176	-56.7	-82.6	0	0	0	110.5	N430	Y353-N430 PolarHBondContact O-ND2 2.92Å
354	A	92.8	Very high	92.5	Very high	46 Å²	46	79.4 Å²	79.4	38%	0.38	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-55.7	152.3	174.9	0	0	0	0	0	111.9	V356	A354-V356 PolarHBondContact O-N 3.05Å
355	P	94.8	Very high	92.8	Very high	6 Å²	6	79.6 Å²	79.6	4%	0.039	42%	0.424	C	S	.	.	P	Polyproline II helix	trans	-73.7	129.8	-169.6	29.4	-34.2	0	0	0	112	T382 V428 N430 G433 T435	P355-T382 HydrophobicContact CB-CG2 3.84Å; P355-V428 HydrophobicContact CB-CG1 3.76Å; P355-V428 HydrophobicContact CG-CB 4.25Å; P355-V428 HydrophobicContact CG-CG1 3.9Å; P355-V428 WeakPolarHBondContact CG-O 3.39Å; P355-N430 HydrophobicContact CB-CB 4.25Å; P355-N430 HydrophobicContact CG-CB 4.43Å; P355-G433 WeakPolarHBondContact CD-O 3.49Å; P355-T435 VanDerWaalsContact O-CB 3.26Å; P355-T435 WeakPolarHBondContact O-CB 3.28Å; P355-T435 PolarHBondContact O-OG1 3.31Å
356	V	93.8	Very high	93.1	Very high	113 Å²	113	80.2 Å²	80.2	69%	0.685	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-85	124.8	178.2	-178.3	0	0	0	0	110.4	A354 V358	A354-V356 PolarHBondContact O-N 3.05Å; V356-V358 PolarHBondContact O-N 3.4Å
357	I	94.8	Very high	93.4	Very high	26 Å²	26	78.9 Å²	78.9	13%	0.133	42%	0.422	C	S	.	.			trans	-80.1	114.2	167.8	-55.7	176.4	0	0	0	107.5	P360 V428 T435 A437	I357-P360 HydrophobicContact CG2-CB 4Å; I357-V428 HydrophobicContact CD1-CG2 4.07Å; I357-V428 HydrophobicContact CG1-CB 4.43Å; I357-V428 HydrophobicContact CG1-CG2 3.89Å; I357-T435 HydrophobicContact CD1-CG2 4.1Å; I357-T435 HydrophobicContact CG1-CG2 4.22Å; I357-A437 HydrophobicContact CD1-CB 3.72Å
358	V	94.3	Very high	93.7	Very high	115 Å²	115	78.3 Å²	78.3	70%	0.697	42%	0.42	S	S	*	.	S	Bend	trans	-81.6	-40.3	-172.7	-177.6	0	0	0	0	111.7	V356 R377	V356-V358 PolarHBondContact O-N 3.4Å; V358-R377 PolarHBondContact N-O 3.25Å
359	E	94.9	Very high	93.8	Very high	68 Å²	68	73.5 Å²	73.5	32%	0.318	40%	0.404	S	S	.	.	B	Isolated β-bridge	trans	-128.3	95.6	172.6	-166.4	172.7	-167	0	0	107.4	K375 C376 R377	E359-K375 VanDerWaalsContact CD-NZ 3.34Å; E359-K375 HydrophobicContact CG-CB 4.45Å; E359-K375 HydrophobicContact CG-CD 4.01Å; E359-K375 VanDerWaalsContact OE1-CD 3.24Å; E359-K375 WeakPolarHBondContact OE1-CD 3.27Å; E359-K375 IonicContact OE1-NZ 2.72Å; E359-K375 PolarHBondContact OE1-NZ 3.49Å; E359-K375 WeakPolarHBondContact OE2-CD 3.37Å; E359-K375 IonicContact OE2-NZ 3.34Å; E359-K375 PolarHBondContact OE2-NZ 2.8Å; E359-C376 CarbonylContact O-C 3.55Å; E359-C376 WeakPolarHBondContact O-CA 3.02Å; E359-R377 HydrophobicContact CB-CB 3.89Å; E359-R377 HydrophobicContact CB-CG 4.15Å; E359-R377 PolarHBondContact O-N 2.65Å; E359-R377 WeakPolarHBondContact OE2-CD 3.28Å; E359-R377 IonicContact OE2-NE 3.24Å; E359-R377 IonicContact OE2-NH1 3.52Å
360	P	95.7	Very high	94.1	Very high	74 Å²	74	73.4 Å²	73.4	48%	0.481	41%	0.409	S	S	.	.			trans	-73.8	159.1	179.4	31.4	-35.3	0	0	0	111.4	I357 K375 A437	I357-P360 HydrophobicContact CG2-CB 4Å; P360-K375 CarbonylContact C-O 3.59Å; P360-A437 HydrophobicContact CB-CB 4.17Å
361	P	97.3	Very high	94.3	Very high	15 Å²	15	75.5 Å²	75.5	10%	0.097	43%	0.431	C	S	.	.			trans	-69.8	149.1	176.8	29.8	-35.2	0	0	0	111	L374 K375 W386 A437 A439	P361-L374 HydrophobicContact CB-CB 4.41Å; P361-K375 WeakPolarHBondContact CA-O 3.3Å; P361-K375 WeakPolarHBondContact CB-O 3.47Å; P361-K375 VanDerWaalsContact CD-O 3.25Å; P361-K375 WeakPolarHBondContact CD-O 3.5Å; P361-W386 HydrophobicContact CB-CH2 3.88Å; P361-W386 HydrophobicContact CG-CH2 3.95Å; P361-A437 HydrophobicContact CG-CB 4.23Å; P361-A439 HydrophobicContact CB-CB 3.66Å; P361-A439 HydrophobicContact CG-CB 4.04Å
362	A	97.1	Very high	94.5	Very high	73 Å²	73	67.8 Å²	67.8	60%	0.603	40%	0.397	S	S	*	.			trans	-118.3	153.2	173.5	0	0	0	0	0	109.8
363	D	97.3	Very high	94.6	Very high	116 Å²	116	71.3 Å²	71.3	62%	0.62	41%	0.41	S	S	*	.			trans	-59.1	137.2	175.8	-61.1	-50.2	0	0	0	110.8	T440	D363-T440 WeakPolarHBondContact CA-O 3.39Å; D363-T440 VanDerWaalsContact OD1-CB 3.32Å; D363-T440 WeakPolarHBondContact OD1-CB 3.5Å; D363-T440 PolarHBondContact OD1-N 2.75Å; D363-T440 PolarHBondContact OD1-OG1 2.97Å
364	L	95.9	Very high	94.8	Very high	59 Å²	59	62.7 Å²	62.7	31%	0.309	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	123.5	-169.8	-167.9	71.6	0	0	0	111.6	V366 A372 L374 T440 L441 N442	L364-V366 HydrophobicContact CD2-CG2 3.66Å; L364-V366 HydrophobicContact CG-CG2 3.68Å; L364-A372 HydrophobicContact CD2-CB 4.01Å; L364-L374 HydrophobicContact CB-CD2 3.99Å; L364-L374 HydrophobicContact CD2-CD2 4.27Å; L364-T440 PolarHBondContact N-O 3.32Å; L364-L441 HydrophobicContact CB-CD1 4.29Å; L364-L441 HydrophobicContact CD2-CD1 4.25Å; L364-N442 PolarHBondContact O-N 2.92Å
365	N	95.3	Very high	95	Very high	127 Å²	127	64.1 Å²	64.1	68%	0.679	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.2	125.1	172.6	-64.8	-35.5	0	0	0	109.4	N442	N365-N442 WeakPolarHBondContact CA-O 3.19Å; N365-N442 WeakPolarHBondContact OD1-CB 3.43Å; N365-N442 PolarHBondContact OD1-ND2 3.09Å
366	V	94.8	Very high	95.1	Very high	15 Å²	15	63.9 Å²	63.9	9%	0.091	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	142.6	-175.3	-175.1	0	0	0	0	110	L364 M370 A372 V416 L441 N442 V443 S444	L364-V366 HydrophobicContact CD2-CG2 3.66Å; L364-V366 HydrophobicContact CG-CG2 3.68Å; V366-M370 HydrophobicContact CG1-CB 3.82Å; V366-A372 HydrophobicContact CG1-CB 4.44Å; V366-A372 HydrophobicContact CG2-CB 3.98Å; V366-V416 HydrophobicContact CG1-CG2 4.44Å; V366-L441 HydrophobicContact CG2-CD1 3.9Å; V366-N442 PolarHBondContact N-O 2.8Å; V366-V443 CarbonylContact O-C 3.57Å; V366-V443 VanDerWaalsContact O-CA 3.27Å; V366-V443 WeakPolarHBondContact O-CA 3.42Å; V366-S444 PolarHBondContact O-N 2.82Å; V366-S444 PolarHBondContact O-OG 2.88Å
367	T	94.1	Very high	95.1	Very high	39 Å²	39	63.9 Å²	63.9	24%	0.239	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	142.9	171.2	53.7	0	0	0	0	111.4	M370 S444 T446	T367-M370 WeakPolarHBondContact O-CB 3.49Å; T367-M370 PolarHBondContact O-N 3.49Å; T367-M370 VanDerWaalsContact OG1-CE 3.31Å; T367-M370 WeakPolarHBondContact OG1-CE 3.3Å; T367-M370 WeakPolarHBondContact OG1-CG 2.99Å; T367-M370 PolarHBondContact OG1-SD 2.94Å; T367-S444 CarbonylContact C-O 3.53Å; T367-S444 VanDerWaalsContact CA-O 3.27Å; T367-S444 WeakPolarHBondContact CA-O 3.26Å; T367-T446 HydrophobicContact CG2-CG2 4.35Å
368	E	93.9	Very high	94.9	Very high	84 Å²	84	63.4 Å²	63.4	39%	0.393	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.3	139.8	176.9	179.5	157.9	-113.9	0	0	112.5	T417 M418 V443 S444	E368-T417 VanDerWaalsContact OE1-CA 3.22Å; E368-T417 WeakPolarHBondContact OE1-CA 3.43Å; E368-M418 PolarHBondContact OE1-N 2.78Å; E368-V443 HydrophobicContact CB-CG1 4.13Å; E368-S444 PolarHBondContact N-O 2.96Å
369	G	90.6	Very high	94.7	Very high	43 Å²	43	60.6 Å²	60.6	44%	0.443	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.3	-15.6	-176.8	0	0	0	0	0	115.5	N415 V416	G369-N415 WeakPolarHBondContact CA-OD1 3.31Å; G369-V416 PolarHBondContact N-O 2.78Å
370	M	92.4	Very high	94.2	Very high	115 Å²	115	60.9 Å²	60.9	57%	0.567	36%	0.355	S	S	*	.	S	Bend	trans	-79.1	163.6	174.1	-67.5	-165.9	-179.6	0	0	112.6	V366 T367 V416	V366-M370 HydrophobicContact CG1-CB 3.82Å; T367-M370 WeakPolarHBondContact O-CB 3.49Å; T367-M370 PolarHBondContact O-N 3.49Å; T367-M370 VanDerWaalsContact OG1-CE 3.31Å; T367-M370 WeakPolarHBondContact OG1-CE 3.3Å; T367-M370 WeakPolarHBondContact OG1-CG 2.99Å; T367-M370 PolarHBondContact OG1-SD 2.94Å; M370-V416 WeakPolarHBondContact O-CG2 3.5Å; M370-V416 PolarHBondContact O-N 3.49Å
371	A	94.1	Very high	93.9	Very high	70 Å²	70	58.8 Å²	58.8	58%	0.579	34%	0.34	S	S	*	.			trans	-84.5	154.2	167.9	0	0	0	0	0	111.1	F413	A371-F413 CarbonylContact C-O 2.99Å; A371-F413 WeakPolarHBondContact CA-O 3.46Å; A371-F413 WeakPolarHBondContact CB-O 3.18Å
372	A	95	Very high	93.7	Very high	7 Å²	7	58.3 Å²	58.3	6%	0.058	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	152.4	180	0	0	0	0	0	112.4	L364 V366 F413 V416 L441	L364-A372 HydrophobicContact CD2-CB 4.01Å; V366-A372 HydrophobicContact CG1-CB 4.44Å; V366-A372 HydrophobicContact CG2-CB 3.98Å; A372-F413 HydrophobicContact CB-CB 4.21Å; A372-F413 HydrophobicContact CB-CD2 4.29Å; A372-F413 HydrophobicContact CB-CG 4.46Å; A372-F413 PolarHBondContact N-O 2.94Å; A372-F413 PolarHBondContact O-N 3.32Å; A372-V416 HydrophobicContact CB-CG2 3.59Å; A372-L441 HydrophobicContact CB-CD1 4.44Å
373	E	95.9	Very high	93.5	Very high	104 Å²	104	55.7 Å²	55.7	49%	0.486	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	119.6	177.9	-68.2	-174.5	167.9	0	0	110.6	T410 L411	E373-T410 HydrophobicContact CB-CG2 3.91Å; E373-T410 HydrophobicContact CG-CG2 4.31Å; E373-L411 WeakPolarHBondContact CA-O 3.14Å
374	L	96.8	Very high	93.5	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.01	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	103.6	166.8	-61.1	-179.4	0	0	0	108.3	P361 L364 W386 T410 L411 F413 Y424 L441	P361-L374 HydrophobicContact CB-CB 4.41Å; L364-L374 HydrophobicContact CB-CD2 3.99Å; L364-L374 HydrophobicContact CD2-CD2 4.27Å; L374-W386 HydrophobicContact CB-CH2 3.69Å; L374-W386 HydrophobicContact CB-CZ2 4.2Å; L374-W386 HydrophobicContact CB-CZ3 4.37Å; L374-W386 HydrophobicContact CD1-CH2 4.48Å; L374-W386 HydrophobicContact CD1-CZ3 4.38Å; L374-W386 VanDerWaalsContact O-CZ2 3.24Å; L374-W386 WeakPolarHBondContact O-CZ2 3.48Å; L374-T410 WeakPolarHBondContact O-CA 3.43Å; L374-L411 HydrophobicContact CB-CB 4.38Å; L374-L411 PolarHBondContact N-O 3.44Å; L374-L411 PolarHBondContact O-N 2.81Å; L374-F413 HydrophobicContact CD1-CE2 4.41Å; L374-F413 HydrophobicContact CG-CE2 4.42Å; L374-Y424 HydrophobicContact CD1-CD2 4.01Å; L374-Y424 HydrophobicContact CD1-CG 3.98Å; L374-L441 HydrophobicContact CD1-CB 4.47Å
375	K	96.6	Very high	93.4	Very high	76 Å²	76	48 Å²	48	33%	0.33	27%	0.274	S	S	.	.			trans	-69.2	142	-177.1	-58.4	-171.7	-173.9	-176.7	0	111.8	E359 P360 P361 T410	E359-K375 VanDerWaalsContact CD-NZ 3.34Å; E359-K375 HydrophobicContact CG-CB 4.45Å; E359-K375 HydrophobicContact CG-CD 4.01Å; E359-K375 VanDerWaalsContact OE1-CD 3.24Å; E359-K375 WeakPolarHBondContact OE1-CD 3.27Å; E359-K375 IonicContact OE1-NZ 2.72Å; E359-K375 PolarHBondContact OE1-NZ 3.49Å; E359-K375 WeakPolarHBondContact OE2-CD 3.37Å; E359-K375 IonicContact OE2-NZ 3.34Å; E359-K375 PolarHBondContact OE2-NZ 2.8Å; P360-K375 CarbonylContact C-O 3.59Å; P361-K375 WeakPolarHBondContact CA-O 3.3Å; P361-K375 WeakPolarHBondContact CB-O 3.47Å; P361-K375 VanDerWaalsContact CD-O 3.25Å; P361-K375 WeakPolarHBondContact CD-O 3.5Å; K375-T410 HydrophobicContact CG-CG2 4.41Å
376	C	95.8	Very high	93.4	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.242	C	C	.	.			trans	-148.9	75.4	166.9	-175.8	0	0	0	0	109.3	E359 A378 W386 G409 C426	E359-C376 CarbonylContact O-C 3.55Å; E359-C376 WeakPolarHBondContact O-CA 3.02Å; C376-A378 PolarHBondContact O-N 3.32Å; C376-W386 HydrophobicContact CB-CH2 4.33Å; C376-W386 HydrophobicContact CB-CZ2 3.51Å; C376-G409 CarbonylContact O-C 3.11Å; C376-G409 WeakPolarHBondContact O-CA 3.5Å; C376-C426 HydrophobicContact CB-CB 3.63Å; C376-C426 WeakPolarHBondContact CB-SG 3.41Å; C376-C426 WeakPolarHBondContact SG-CB 3.36Å; C376-C426 CovalentContact SG-SG 2.03Å; C376-C426 PolarHBondContact SG-SG 3.02Å
377	R	94	Very high	93.5	Very high	113 Å²	113	43.9 Å²	43.9	43%	0.426	25%	0.251	S	S	.	.	B	Isolated β-bridge	trans	-80.4	122	-172.2	-66.7	-168.2	160.6	174.5	-8.1	111.7	V358 E359 D408	V358-R377 PolarHBondContact N-O 3.25Å; E359-R377 HydrophobicContact CB-CB 3.89Å; E359-R377 HydrophobicContact CB-CG 4.15Å; E359-R377 PolarHBondContact O-N 2.65Å; E359-R377 WeakPolarHBondContact OE2-CD 3.28Å; E359-R377 IonicContact OE2-NE 3.24Å; E359-R377 IonicContact OE2-NH1 3.52Å; R377-D408 WeakPolarHBondContact CA-O 3.38Å; R377-D408 HydrophobicContact CG-CB 4.34Å; R377-D408 IonicContact CZ-OD2 2.73Å; R377-D408 IonicContact NE-OD2 3.37Å; R377-D408 PolarHBondContact NE-OD2 2.8Å; R377-D408 IonicContact NH2-OD2 2.65Å; R377-D408 PolarHBondContact NH2-OD2 2.75Å
378	A	91.6	Very high	93.5	Very high	16 Å²	16	42.6 Å²	42.6	13%	0.132	24%	0.243	C	C	.	.			trans	-133.7	173.8	175.1	0	0	0	0	0	110.4	C376 T382 V384 V428	C376-A378 PolarHBondContact O-N 3.32Å; A378-T382 WeakPolarHBondContact CB-OG1 3.42Å; A378-V384 HydrophobicContact CB-CG2 4.3Å; A378-V428 HydrophobicContact CB-CG1 3.74Å; A378-V428 HydrophobicContact CB-CG2 4.16Å
379	S	88.6	Confident	93.5	Very high	57 Å²	57	41.2 Å²	41.2	40%	0.399	24%	0.242	S	C	.	.			trans	-54.2	142.9	173.9	172.9	0	0	0	0	111	R261 L381 T382	R261-S379 PolarHBondContact NH2-O 3.12Å; S379-L381 PolarHBondContact O-N 3.15Å; S379-L381 PolarHBondContact OG-N 3.33Å; S379-T382 PolarHBondContact O-N 2.98Å; S379-T382 PolarHBondContact O-OG1 2.72Å
380	S	85.3	Confident	93.5	Very high	74 Å²	74	46.3 Å²	46.3	52%	0.517	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-18.9	179.5	50.7	0	0	0	0	113.7
381	L	89.4	Confident	93.4	Very high	29 Å²	29	43.3 Å²	43.3	15%	0.152	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-19.7	-177.6	-58.9	173.7	0	0	0	114.1	L282 P284 H285 D309 S379	L282-L381 HydrophobicContact CB-CD1 3.69Å; L282-L381 HydrophobicContact CB-CD2 3.85Å; L282-L381 HydrophobicContact CB-CG 4.44Å; L282-L381 HydrophobicContact CD1-CD1 3.35Å; L282-L381 HydrophobicContact CG-CD1 4.02Å; P284-L381 WeakPolarHBondContact CA-O 3.3Å; H285-L381 WeakPolarHBondContact CB-O 3.45Å; H285-L381 PolarHBondContact N-O 3.28Å; D309-L381 HydrophobicContact CB-CB 4.47Å; D309-L381 HydrophobicContact CB-CD1 3.99Å; S379-L381 PolarHBondContact O-N 3.15Å; S379-L381 PolarHBondContact OG-N 3.33Å
382	T	93.3	Very high	93.3	Very high	6 Å²	6	42.1 Å²	42.1	4%	0.037	25%	0.245	C	C	.	.	S	Bend	trans	-76	137.6	176.5	56.8	0	0	0	0	109.5	R261 P355 A378 S379 V428 S429 N430	R261-T382 WeakPolarHBondContact CD-O 3.3Å; R261-T382 PolarHBondContact NE-O 3.39Å; P355-T382 HydrophobicContact CB-CG2 3.84Å; A378-T382 WeakPolarHBondContact CB-OG1 3.42Å; S379-T382 PolarHBondContact O-N 2.98Å; S379-T382 PolarHBondContact O-OG1 2.72Å; T382-V428 HydrophobicContact CG2-CG1 4.44Å; T382-V428 WeakPolarHBondContact OG1-CG1 3.42Å; T382-S429 CarbonylContact C-O 3.58Å; T382-S429 WeakPolarHBondContact CA-O 3.35Å; T382-S429 WeakPolarHBondContact CB-O 3.4Å; T382-N430 HydrophobicContact CG2-CB 3.99Å
383	S	93.9	Very high	93.2	Very high	18 Å²	18	46.9 Å²	46.9	13%	0.126	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	143.4	173.7	-173.8	0	0	0	0	109.5	V428 S429	S383-V428 VanDerWaalsContact O-CA 3.3Å; S383-V428 WeakPolarHBondContact O-CA 3.35Å; S383-V428 WeakPolarHBondContact O-CG1 3.44Å; S383-S429 WeakPolarHBondContact CB-OG 3.34Å; S383-S429 PolarHBondContact N-O 2.9Å; S383-S429 PolarHBondContact O-N 3.38Å
384	V	95.3	Very high	93	Very high	2 Å²	2	42 Å²	42	1%	0.012	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	127.1	-179.6	-177.2	0	0	0	0	108.5	A378 V428	A378-V384 HydrophobicContact CB-CG2 4.3Å; V384-V428 HydrophobicContact CG1-CG2 4.45Å; V384-V428 HydrophobicContact CG2-CG1 4.36Å; V384-V428 HydrophobicContact CG2-CG2 4.24Å
385	S	94.9	Very high	92.8	Very high	12 Å²	12	43.4 Å²	43.4	8%	0.084	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	147.9	179.5	61.6	0	0	0	0	110.6	M394 M427	S385-M394 CarbonylContact C-O 3.58Å; S385-M394 WeakPolarHBondContact CA-O 3.36Å; S385-M427 PolarHBondContact N-O 2.94Å; S385-M427 PolarHBondContact O-N 2.98Å; S385-M427 WeakPolarHBondContact OG-CE 3Å; S385-M427 PolarHBondContact OG-O 3.29Å
386	W	96.2	Very high	92.5	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	124.1	-179.1	-82.8	92.9	0	0	0	110.6	P361 L374 C376 I393 M394 V405 G409 L411 C426	P361-W386 HydrophobicContact CB-CH2 3.88Å; P361-W386 HydrophobicContact CG-CH2 3.95Å; L374-W386 HydrophobicContact CB-CH2 3.69Å; L374-W386 HydrophobicContact CB-CZ2 4.2Å; L374-W386 HydrophobicContact CB-CZ3 4.37Å; L374-W386 HydrophobicContact CD1-CH2 4.48Å; L374-W386 HydrophobicContact CD1-CZ3 4.38Å; L374-W386 VanDerWaalsContact O-CZ2 3.24Å; L374-W386 WeakPolarHBondContact O-CZ2 3.48Å; C376-W386 HydrophobicContact CB-CH2 4.33Å; C376-W386 HydrophobicContact CB-CZ2 3.51Å; W386-I393 CarbonylContact O-C 3.57Å; W386-I393 WeakPolarHBondContact O-CA 3.34Å; W386-M394 HydrophobicContact CB-CB 4.38Å; W386-M394 PolarHBondContact N-O 2.95Å; W386-M394 PolarHBondContact O-N 3.03Å; W386-V405 HydrophobicContact CG-CG2 4.43Å; W386-G409 PolarHBondContact NE1-O 3Å; W386-L411 HydrophobicContact CB-CD1 4.23Å; W386-L411 HydrophobicContact CB-CD2 4.49Å; W386-L411 HydrophobicContact CD2-CB 3.88Å; W386-L411 HydrophobicContact CD2-CD2 4.04Å; W386-L411 HydrophobicContact CD2-CG 4.41Å; W386-L411 HydrophobicContact CE3-CB 4.47Å; W386-L411 HydrophobicContact CE3-CD2 4.04Å; W386-L411 HydrophobicContact CG-CB 4.14Å; W386-L411 HydrophobicContact CG-CD1 4.1Å; W386-L411 HydrophobicContact CG-CD2 4.27Å; W386-L411 HydrophobicContact CG-CG 4.42Å; W386-L411 HydrophobicContact CH2-CB 4.46Å; W386-L411 HydrophobicContact CZ2-CB 3.89Å; W386-C426 HydrophobicContact CD2-CB 4.01Å; W386-C426 HydrophobicContact CE3-CB 4.04Å; W386-C426 HydrophobicContact CH2-CB 3.86Å; W386-C426 HydrophobicContact CZ2-CB 3.78Å; W386-C426 HydrophobicContact CZ3-CB 3.97Å
387	I	96.3	Very high	92	Very high	54 Å²	54	42.5 Å²	42.5	28%	0.277	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	118.4	172.7	-49	176.8	0	0	0	107.1	Y424 T425	I387-Y424 WeakPolarHBondContact O-CA 3.4Å; I387-T425 PolarHBondContact N-O 3.43Å; I387-T425 PolarHBondContact O-N 3Å
388	T	93.8	Very high	91.6	Very high	12 Å²	12	38.7 Å²	38.7	7%	0.074	25%	0.248	C	C	.	.			trans	-79.5	165.5	177.3	69.2	0	0	0	0	111.6	N390 G391 S392 M394 Y424	T388-N390 PolarHBondContact O-N 3.26Å; T388-G391 PolarHBondContact O-N 2.88Å; T388-S392 WeakPolarHBondContact CG2-O 3.43Å; T388-S392 PolarHBondContact N-O 3.25Å; T388-S392 PolarHBondContact OG1-N 3.44Å; T388-S392 PolarHBondContact OG1-O 2.03Å; T388-S392 PolarHBondContact OG1-OG 3.24Å; T388-M394 HydrophobicContact CG2-CG 4.3Å; T388-M394 HydrophobicContact CG2-SD 3.81Å; T388-Y424 HydrophobicContact CG2-CD1 4.25Å; T388-Y424 HydrophobicContact CG2-CE1 3.92Å
389	P	93.3	Very high	90.7	Very high	56 Å²	56	45.7 Å²	45.7	36%	0.364	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-28.7	175.7	-27.3	34.2	0	0	0	114	G391 T423 Y424	P389-G391 VanDerWaalsContact C-N 3.25Å; P389-G391 PolarHBondContact O-N 2.99Å; P389-T423 WeakPolarHBondContact CG-O 3.49Å; P389-Y424 HydrophobicContact CG-CD2 4.06Å; P389-Y424 HydrophobicContact CG-CE2 3.74Å
390	N	90.9	Very high	90.3	Very high	149 Å²	149	47.3 Å²	47.3	80%	0.797	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	9.2	177.8	-60.8	-21.4	0	0	0	113.5	T388 S392	T388-N390 PolarHBondContact O-N 3.26Å; N390-S392 PolarHBondContact O-N 3.03Å
391	G	90.7	Very high	90	Very high	52 Å²	52	50.5 Å²	50.5	54%	0.536	28%	0.282	S	S	.	.	S	Bend	trans	73.1	2.6	-178	0	0	0	0	0	115.5	T388 P389	T388-G391 PolarHBondContact O-N 2.88Å; P389-G391 VanDerWaalsContact C-N 3.25Å; P389-G391 PolarHBondContact O-N 2.99Å
392	S	91.9	Very high	90.1	Very high	46 Å²	46	52.8 Å²	52.8	32%	0.322	29%	0.289	S	S	.	.			trans	-77.6	133.5	178.6	80.5	0	0	0	0	110.8	T388 N390	T388-S392 WeakPolarHBondContact CG2-O 3.43Å; T388-S392 PolarHBondContact N-O 3.25Å; T388-S392 PolarHBondContact OG1-N 3.44Å; T388-S392 PolarHBondContact OG1-O 2.03Å; T388-S392 PolarHBondContact OG1-OG 3.24Å; N390-S392 PolarHBondContact O-N 3.03Å
393	I	92	Very high	90.1	Very high	107 Å²	107	53.3 Å²	53.3	55%	0.549	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	143.3	176.1	-57.1	174.2	0	0	0	110	W386	W386-I393 CarbonylContact O-C 3.57Å; W386-I393 WeakPolarHBondContact O-CA 3.34Å
394	M	92.3	Very high	90	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.005	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	134	173.7	-69.6	-178	49.5	0	0	110.5	S385 W386 T388 K400 I403 V405 L411	S385-M394 CarbonylContact C-O 3.58Å; S385-M394 WeakPolarHBondContact CA-O 3.36Å; W386-M394 HydrophobicContact CB-CB 4.38Å; W386-M394 PolarHBondContact N-O 2.95Å; W386-M394 PolarHBondContact O-N 3.03Å; T388-M394 HydrophobicContact CG2-CG 4.3Å; T388-M394 HydrophobicContact CG2-SD 3.81Å; M394-K400 HydrophobicContact CE-CD 3.96Å; M394-K400 HydrophobicContact CG-CD 4.47Å; M394-K400 HydrophobicContact SD-CD 3.85Å; M394-K400 PolarHBondContact SD-NZ 3.15Å; M394-I403 HydrophobicContact CE-CB 3.98Å; M394-I403 HydrophobicContact CE-CG2 3.77Å; M394-I403 VanDerWaalsContact CE-O 3.31Å; M394-I403 WeakPolarHBondContact CE-O 3.45Å; M394-I403 HydrophobicContact SD-CG2 4.43Å; M394-V405 HydrophobicContact CB-CG2 4.28Å; M394-L411 HydrophobicContact CE-CD1 3.98Å
395	T	92.7	Very high	90	Very high	32 Å²	32	54.6 Å²	54.6	20%	0.196	30%	0.3	C	S	.	.			trans	-120.9	176.4	177.6	66.1	0	0	0	0	110.1	G397 A398	T395-G397 PolarHBondContact O-N 2.82Å; T395-A398 WeakPolarHBondContact O-CB 3.15Å; T395-A398 PolarHBondContact O-N 2.99Å; T395-A398 VanDerWaalsContact O-N 3.13Å
396	H	90	Very high	89.8	Confident	39 Å²	39	56.7 Å²	56.7	18%	0.181	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-22.4	177.9	-165.1	-87.1	0	0	0	113.5	P237 R261 N262 V405 L406 N407	P237-H396 VanDerWaalsContact CG-ND1 3.29Å; P237-H396 WeakPolarHBondContact CG-ND1 3.43Å; R261-H396 HydrophobicContact CB-CB 4.34Å; N262-H396 HydrophobicContact CB-CB 4.38Å; N262-H396 PolarHBondContact OD1-N 3.3Å; H396-V405 PolarHBondContact CD2-O 3.4Å; H396-V405 PolarHBondContact NE2-O 2.93Å; H396-L406 PolarHBondContact CD2-O 3.42Å; H396-L406 VanDerWaalsContact NE2-C 3.28Å; H396-N407 PolarHBondContact CD2-N 3.09Å; H396-N407 VanDerWaalsContact CD2-N 3.29Å; H396-N407 WeakPolarHBondContact NE2-CA 3.43Å; H396-N407 PolarHBondContact NE2-N 2.96Å
397	G	84.8	Confident	89.6	Confident	18 Å²	18	59.1 Å²	59.1	19%	0.186	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-11.5	173.3	0	0	0	0	0	113.8	N262 T395 Y399	N262-G397 VanDerWaalsContact CB-N 3.29Å; T395-G397 PolarHBondContact O-N 2.82Å; G397-Y399 PolarHBondContact O-N 3.29Å
398	A	85.6	Confident	89.3	Confident	32 Å²	32	58.3 Å²	58.3	26%	0.264	32%	0.319	S	S	.	.			trans	-74.6	99	-171.9	0	0	0	0	0	112.1	T395 K400	T395-A398 WeakPolarHBondContact O-CB 3.15Å; T395-A398 PolarHBondContact O-N 2.99Å; T395-A398 VanDerWaalsContact O-N 3.13Å; A398-K400 PolarHBondContact O-N 2.92Å
399	Y	74	Confident	89.3	Confident	163 Å²	163	57.7 Å²	57.7	64%	0.639	32%	0.315	S	S	*	.			trans	-70.6	91.8	179.6	-171.1	-97.5	0	0	0	113	K241 G397 I401	K241-Y399 HydrophobicContact CD-CD2 4.45Å; G397-Y399 PolarHBondContact O-N 3.29Å; Y399-I401 HydrophobicContact CE1-CG1 3.93Å
400	K	80.4	Confident	89.3	Confident	92 Å²	92	55.1 Å²	55.1	40%	0.4	30%	0.298	S	S	.	.			trans	-118	136.4	163.4	-70	-179.5	-171.2	175.4	0	108.8	M394 A398 I403	M394-K400 HydrophobicContact CE-CD 3.96Å; M394-K400 HydrophobicContact CG-CD 4.47Å; M394-K400 HydrophobicContact SD-CD 3.85Å; M394-K400 PolarHBondContact SD-NZ 3.15Å; A398-K400 PolarHBondContact O-N 2.92Å; K400-I403 VanDerWaalsContact CB-O 3.28Å; K400-I403 WeakPolarHBondContact CB-O 3.41Å
401	I	79.1	Confident	89.6	Confident	140 Å²	140	48 Å²	48	72%	0.718	26%	0.26	S	S	*	.	S	Bend	trans	-74	-31.5	-170.4	-59.7	171.2	0	0	0	112.6	Y399	Y399-I401 HydrophobicContact CE1-CG1 3.93Å
402	R	91.1	Very high	89.8	Confident	78 Å²	78	47 Å²	47	29%	0.294	24%	0.242	S	C	.	.	S	Bend	trans	-102	-25.9	-170	-164.9	176	63.1	69.5	-5.5	114.4	F413 T414 N415 D420	R402-F413 WeakPolarHBondContact O-CA 3.44Å; R402-T414 PolarHBondContact O-N 2.97Å; R402-T414 PolarHBondContact O-OG1 2.91Å; R402-N415 WeakPolarHBondContact CD-O 3.41Å; R402-N415 HydrophobicContact CG-CB 4.37Å; R402-N415 WeakPolarHBondContact CG-O 3.49Å; R402-N415 PolarHBondContact NH1-O 3.03Å; R402-D420 IonicContact CZ-OD1 2.68Å; R402-D420 IonicContact CZ-OD2 3.83Å; R402-D420 IonicContact NH1-OD1 3.41Å; R402-D420 PolarHBondContact NH1-OD1 3.42Å; R402-D420 IonicContact NH1-OD2 3.56Å; R402-D420 PolarHBondContact NH1-OD2 3.42Å; R402-D420 IonicContact NH2-OD1 2.77Å; R402-D420 PolarHBondContact NH2-OD1 2.95Å; R402-D420 IonicContact NH2-OD2 3.17Å; R402-D420 PolarHBondContact NH2-OD2 2.99Å
403	I	91.9	Very high	89.9	Confident	17 Å²	17	44.8 Å²	44.8	9%	0.087	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	125.2	-178.5	-44.5	174.3	0	0	0	107.2	M394 K400 L411 N412 F413	M394-I403 HydrophobicContact CE-CB 3.98Å; M394-I403 HydrophobicContact CE-CG2 3.77Å; M394-I403 VanDerWaalsContact CE-O 3.31Å; M394-I403 WeakPolarHBondContact CE-O 3.45Å; M394-I403 HydrophobicContact SD-CG2 4.43Å; K400-I403 VanDerWaalsContact CB-O 3.28Å; K400-I403 WeakPolarHBondContact CB-O 3.41Å; I403-L411 HydrophobicContact CG2-CD1 3.76Å; I403-L411 HydrophobicContact CG2-CD2 4.4Å; I403-L411 HydrophobicContact CG2-CG 3.99Å; I403-N412 CarbonylContact C-O 3.48Å; I403-N412 VanDerWaalsContact CA-O 3.29Å; I403-N412 WeakPolarHBondContact CA-O 3.42Å; I403-F413 HydrophobicContact CB-CD1 4.38Å; I403-F413 HydrophobicContact CD1-CD1 3.9Å; I403-F413 HydrophobicContact CD1-CE1 3.71Å; I403-F413 HydrophobicContact CG1-CD1 3.7Å; I403-F413 HydrophobicContact CG1-CE1 3.99Å; I403-F413 HydrophobicContact CG1-CG 4.45Å; I403-F413 HydrophobicContact CG2-CD1 3.94Å; I403-F413 HydrophobicContact CG2-CD2 4.37Å; I403-F413 HydrophobicContact CG2-CE1 3.86Å; I403-F413 HydrophobicContact CG2-CE2 4.29Å; I403-F413 HydrophobicContact CG2-CG 4.19Å; I403-F413 HydrophobicContact CG2-CZ 4.03Å
404	S	93.2	Very high	90	Very high	38 Å²	38	43.7 Å²	43.7	27%	0.266	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	155.7	-179.6	58.2	0	0	0	0	111.5	N412	S404-N412 PolarHBondContact N-O 3.11Å; S404-N412 PolarHBondContact O-N 3.07Å
405	V	93.9	Very high	90	Very high	9 Å²	9	47.1 Å²	47.1	6%	0.055	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	138.9	168.7	-174.2	0	0	0	0	107.9	W386 M394 H396 T410 L411	W386-V405 HydrophobicContact CG-CG2 4.43Å; M394-V405 HydrophobicContact CB-CG2 4.28Å; H396-V405 PolarHBondContact CD2-O 3.4Å; H396-V405 PolarHBondContact NE2-O 2.93Å; V405-T410 CarbonylContact C-O 3.53Å; V405-T410 WeakPolarHBondContact CA-O 3.42Å; V405-L411 HydrophobicContact CG2-CD1 3.86Å
406	L	92.3	Very high	90	Very high	56 Å²	56	45.6 Å²	45.6	29%	0.293	23%	0.234	S	C	.	.			trans	-99.8	160.6	178.4	-57.3	-177.2	0	0	0	111.9	H396 D408 G409 T410 N412	H396-L406 PolarHBondContact CD2-O 3.42Å; H396-L406 VanDerWaalsContact NE2-C 3.28Å; L406-D408 PolarHBondContact O-N 3.48Å; L406-G409 WeakPolarHBondContact O-CA 3.37Å; L406-G409 PolarHBondContact O-N 2.97Å; L406-T410 HydrophobicContact CD1-CG2 4.4Å; L406-T410 PolarHBondContact N-O 3Å; L406-N412 HydrophobicContact CD1-CB 4.01Å; L406-N412 HydrophobicContact CD2-CB 4.21Å; L406-N412 HydrophobicContact CG-CB 3.98Å
407	N	90.4	Very high	90.2	Very high	50 Å²	50	45.2 Å²	45.2	27%	0.267	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	4.1	-172.3	-167	29.8	0	0	0	114	E260 R261 H396	E260-N407 WeakPolarHBondContact CG-ND2 3.44Å; E260-N407 PolarHBondContact OE1-ND2 3.13Å; R261-N407 PolarHBondContact NH1-O 2.8Å; R261-N407 PolarHBondContact NH1-OD1 2.82Å; H396-N407 PolarHBondContact CD2-N 3.09Å; H396-N407 VanDerWaalsContact CD2-N 3.29Å; H396-N407 WeakPolarHBondContact NE2-CA 3.43Å; H396-N407 PolarHBondContact NE2-N 2.96Å
408	D	91.2	Very high	90.5	Very high	37 Å²	37	48.2 Å²	48.2	20%	0.198	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-12.5	163	69.3	-13.7	0	0	0	112.9	R377 L406 T410	R377-D408 WeakPolarHBondContact CA-O 3.38Å; R377-D408 HydrophobicContact CG-CB 4.34Å; R377-D408 IonicContact CZ-OD2 2.73Å; R377-D408 IonicContact NE-OD2 3.37Å; R377-D408 PolarHBondContact NE-OD2 2.8Å; R377-D408 IonicContact NH2-OD2 2.65Å; R377-D408 PolarHBondContact NH2-OD2 2.75Å; L406-D408 PolarHBondContact O-N 3.48Å; D408-T410 VanDerWaalsContact CG-OG1 3.24Å; D408-T410 WeakPolarHBondContact OD1-CB 3.48Å; D408-T410 PolarHBondContact OD1-N 3.18Å; D408-T410 PolarHBondContact OD1-OG1 2.99Å; D408-T410 PolarHBondContact OD2-OG1 3.46Å
409	G	92.5	Very high	90.8	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.272	C	S	.	.	S	Bend	trans	105.8	-6.5	-175.7	0	0	0	0	0	114.7	C376 W386 L406	C376-G409 CarbonylContact O-C 3.11Å; C376-G409 WeakPolarHBondContact O-CA 3.5Å; W386-G409 PolarHBondContact NE1-O 3Å; L406-G409 WeakPolarHBondContact O-CA 3.37Å; L406-G409 PolarHBondContact O-N 2.97Å
410	T	94.9	Very high	91.7	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.006	24%	0.244	C	C	.	.			trans	-67.4	136.6	-179.3	-59.9	0	0	0	0	112.3	E373 L374 K375 V405 L406 D408	E373-T410 HydrophobicContact CB-CG2 3.91Å; E373-T410 HydrophobicContact CG-CG2 4.31Å; L374-T410 WeakPolarHBondContact O-CA 3.43Å; K375-T410 HydrophobicContact CG-CG2 4.41Å; V405-T410 CarbonylContact C-O 3.53Å; V405-T410 WeakPolarHBondContact CA-O 3.42Å; L406-T410 HydrophobicContact CD1-CG2 4.4Å; L406-T410 PolarHBondContact N-O 3Å; D408-T410 VanDerWaalsContact CG-OG1 3.24Å; D408-T410 WeakPolarHBondContact OD1-CB 3.48Å; D408-T410 PolarHBondContact OD1-N 3.18Å; D408-T410 PolarHBondContact OD1-OG1 2.99Å; D408-T410 PolarHBondContact OD2-OG1 3.46Å
411	L	95.7	Very high	92.4	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	114.7	169.8	-172.5	71.9	0	0	0	109.4	E373 L374 W386 M394 I403 V405 F413 Y424	E373-L411 WeakPolarHBondContact CA-O 3.14Å; L374-L411 HydrophobicContact CB-CB 4.38Å; L374-L411 PolarHBondContact N-O 3.44Å; L374-L411 PolarHBondContact O-N 2.81Å; W386-L411 HydrophobicContact CB-CD1 4.23Å; W386-L411 HydrophobicContact CB-CD2 4.49Å; W386-L411 HydrophobicContact CD2-CB 3.88Å; W386-L411 HydrophobicContact CD2-CD2 4.04Å; W386-L411 HydrophobicContact CD2-CG 4.41Å; W386-L411 HydrophobicContact CE3-CB 4.47Å; W386-L411 HydrophobicContact CE3-CD2 4.04Å; W386-L411 HydrophobicContact CG-CB 4.14Å; W386-L411 HydrophobicContact CG-CD1 4.1Å; W386-L411 HydrophobicContact CG-CD2 4.27Å; W386-L411 HydrophobicContact CG-CG 4.42Å; W386-L411 HydrophobicContact CH2-CB 4.46Å; W386-L411 HydrophobicContact CZ2-CB 3.89Å; M394-L411 HydrophobicContact CE-CD1 3.98Å; I403-L411 HydrophobicContact CG2-CD1 3.76Å; I403-L411 HydrophobicContact CG2-CD2 4.4Å; I403-L411 HydrophobicContact CG2-CG 3.99Å; V405-L411 HydrophobicContact CG2-CD1 3.86Å; L411-F413 HydrophobicContact CB-CE2 4.5Å; L411-F413 HydrophobicContact CD2-CE2 3.66Å; L411-F413 HydrophobicContact CD2-CZ 3.72Å; L411-F413 HydrophobicContact CG-CE2 3.78Å; L411-F413 HydrophobicContact CG-CZ 4.23Å; L411-Y424 HydrophobicContact CD2-CD1 3.48Å; L411-Y424 VanDerWaalsContact CD2-CD1 3.48Å; L411-Y424 HydrophobicContact CD2-CE1 3.89Å; L411-Y424 HydrophobicContact CD2-CG 4.23Å
412	N	95.3	Very high	93.2	Very high	31 Å²	31	40.5 Å²	40.5	17%	0.166	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	134.6	-177.3	-177.2	-13.6	0	0	0	110.5	I403 S404 L406	I403-N412 CarbonylContact C-O 3.48Å; I403-N412 VanDerWaalsContact CA-O 3.29Å; I403-N412 WeakPolarHBondContact CA-O 3.42Å; S404-N412 PolarHBondContact N-O 3.11Å; S404-N412 PolarHBondContact O-N 3.07Å; L406-N412 HydrophobicContact CD1-CB 4.01Å; L406-N412 HydrophobicContact CD2-CB 4.21Å; L406-N412 HydrophobicContact CG-CB 3.98Å
413	F	95.1	Very high	93.5	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	117.2	174.6	-60.7	-113.1	0	0	0	108.5	A371 A372 L374 R402 I403 L411 N415 V416 D420 Y424 L441	A371-F413 CarbonylContact C-O 2.99Å; A371-F413 WeakPolarHBondContact CA-O 3.46Å; A371-F413 WeakPolarHBondContact CB-O 3.18Å; A372-F413 HydrophobicContact CB-CB 4.21Å; A372-F413 HydrophobicContact CB-CD2 4.29Å; A372-F413 HydrophobicContact CB-CG 4.46Å; A372-F413 PolarHBondContact N-O 2.94Å; A372-F413 PolarHBondContact O-N 3.32Å; L374-F413 HydrophobicContact CD1-CE2 4.41Å; L374-F413 HydrophobicContact CG-CE2 4.42Å; R402-F413 WeakPolarHBondContact O-CA 3.44Å; I403-F413 HydrophobicContact CB-CD1 4.38Å; I403-F413 HydrophobicContact CD1-CD1 3.9Å; I403-F413 HydrophobicContact CD1-CE1 3.71Å; I403-F413 HydrophobicContact CG1-CD1 3.7Å; I403-F413 HydrophobicContact CG1-CE1 3.99Å; I403-F413 HydrophobicContact CG1-CG 4.45Å; I403-F413 HydrophobicContact CG2-CD1 3.94Å; I403-F413 HydrophobicContact CG2-CD2 4.37Å; I403-F413 HydrophobicContact CG2-CE1 3.86Å; I403-F413 HydrophobicContact CG2-CE2 4.29Å; I403-F413 HydrophobicContact CG2-CG 4.19Å; I403-F413 HydrophobicContact CG2-CZ 4.03Å; L411-F413 HydrophobicContact CB-CE2 4.5Å; L411-F413 HydrophobicContact CD2-CE2 3.66Å; L411-F413 HydrophobicContact CD2-CZ 3.72Å; L411-F413 HydrophobicContact CG-CE2 3.78Å; L411-F413 HydrophobicContact CG-CZ 4.23Å; F413-N415 VanDerWaalsContact C-N 3.35Å; F413-V416 HydrophobicContact CB-CG2 3.55Å; F413-V416 HydrophobicContact CD1-CG2 4.14Å; F413-V416 HydrophobicContact CG-CG2 4.01Å; F413-D420 HydrophobicContact CE1-CB 4.18Å; F413-Y424 HydrophobicContact CE1-CE1 4.3Å; F413-Y424 AromaticContact CE1-CZ 3.97Å; F413-Y424 HydrophobicContact CZ-CD1 4.39Å; F413-Y424 AromaticContact CZ-CE1 3.78Å; F413-Y424 HydrophobicContact CZ-CE1 3.78Å; F413-Y424 HydrophobicContact CZ-CE2 4.19Å; F413-Y424 AromaticContact CZ-CZ 3.68Å; F413-L441 HydrophobicContact CD1-CD2 4.25Å; F413-L441 HydrophobicContact CE1-CD2 3.72Å; F413-L441 HydrophobicContact CE2-CD2 4.2Å; F413-L441 HydrophobicContact CZ-CD2 3.7Å
414	T	92.9	Very high	93.7	Very high	84 Å²	84	39.8 Å²	39.8	52%	0.515	22%	0.221	S	C	.	.	S	Bend	trans	-77.7	-23.1	179.2	55.7	0	0	0	0	113.1	R402	R402-T414 PolarHBondContact O-N 2.97Å; R402-T414 PolarHBondContact O-OG1 2.91Å
415	N	92.3	Very high	93.9	Very high	72 Å²	72	39.4 Å²	39.4	39%	0.385	22%	0.217	S	C	.	.	S	Bend	trans	-156.9	118	173.3	-179.1	-33.6	0	0	0	107.6	G369 R402 F413	G369-N415 WeakPolarHBondContact CA-OD1 3.31Å; R402-N415 WeakPolarHBondContact CD-O 3.41Å; R402-N415 HydrophobicContact CG-CB 4.37Å; R402-N415 WeakPolarHBondContact CG-O 3.49Å; R402-N415 PolarHBondContact NH1-O 3.03Å; F413-N415 VanDerWaalsContact C-N 3.35Å
416	V	93.8	Very high	94.1	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.214	C	C	.	.			trans	-90.5	135.3	-179.8	177.9	0	0	0	0	110.6	V366 G369 M370 A372 F413 D420 L441 V443	V366-V416 HydrophobicContact CG1-CG2 4.44Å; G369-V416 PolarHBondContact N-O 2.78Å; M370-V416 WeakPolarHBondContact O-CG2 3.5Å; M370-V416 PolarHBondContact O-N 3.49Å; A372-V416 HydrophobicContact CB-CG2 3.59Å; F413-V416 HydrophobicContact CB-CG2 3.55Å; F413-V416 HydrophobicContact CD1-CG2 4.14Å; F413-V416 HydrophobicContact CG-CG2 4.01Å; V416-D420 HydrophobicContact CG1-CB 4.28Å; V416-L441 HydrophobicContact CG1-CD2 4.23Å; V416-V443 HydrophobicContact CG1-CB 4.26Å; V416-V443 HydrophobicContact CG1-CG1 3.8Å; V416-V443 HydrophobicContact CG1-CG2 3.39Å
417	T	93.3	Very high	94.3	Very high	32 Å²	32	38.7 Å²	38.7	20%	0.196	21%	0.213	C	C	.	.			trans	-115.9	160	175.7	72.1	0	0	0	0	111.4	E368 Q419 D420	E368-T417 VanDerWaalsContact OE1-CA 3.22Å; E368-T417 WeakPolarHBondContact OE1-CA 3.43Å; T417-Q419 PolarHBondContact O-N 3.02Å; T417-D420 PolarHBondContact N-OD2 3.2Å; T417-D420 WeakPolarHBondContact O-CB 3.17Å; T417-D420 PolarHBondContact O-N 2.73Å; T417-D420 PolarHBondContact OG1-OD2 3.03Å
418	M	91.4	Very high	94.6	Very high	81 Å²	81	36.3 Å²	36.3	40%	0.399	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-53.1	-27.8	178.1	-67	-61.2	-62.4	0	0	113.4	E368 D420 T421 V443	E368-M418 PolarHBondContact OE1-N 2.78Å; M418-D420 VanDerWaalsContact C-N 3.29Å; M418-D420 PolarHBondContact O-N 3.17Å; M418-T421 WeakPolarHBondContact O-CB 3.42Å; M418-T421 PolarHBondContact O-N 3.44Å; M418-T421 PolarHBondContact O-OG1 3.32Å; M418-V443 VanDerWaalsContact CE-O 3.23Å; M418-V443 WeakPolarHBondContact CE-O 3.17Å; M418-V443 HydrophobicContact SD-CB 4.12Å; M418-V443 HydrophobicContact SD-CG1 3.83Å
419	Q	91.5	Very high	94.8	Very high	178 Å²	178	35.2 Å²	35.2	83%	0.832	20%	0.195	S	C	*	.	G	3₁₀ helix	trans	-73.7	-12.1	178.6	-63.4	-177.2	-1.8	0	0	114.5	T417 T421	T417-Q419 PolarHBondContact O-N 3.02Å; Q419-T421 VanDerWaalsContact C-N 3.26Å
420	D	93	Very high	94.8	Very high	9 Å²	9	36.3 Å²	36.3	5%	0.048	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-82.7	-2.4	174.4	-59.6	-51.4	0	0	0	112.9	R402 F413 V416 T417 M418 G422 Y424 L441	R402-D420 IonicContact CZ-OD1 2.68Å; R402-D420 IonicContact CZ-OD2 3.83Å; R402-D420 IonicContact NH1-OD1 3.41Å; R402-D420 PolarHBondContact NH1-OD1 3.42Å; R402-D420 IonicContact NH1-OD2 3.56Å; R402-D420 PolarHBondContact NH1-OD2 3.42Å; R402-D420 IonicContact NH2-OD1 2.77Å; R402-D420 PolarHBondContact NH2-OD1 2.95Å; R402-D420 IonicContact NH2-OD2 3.17Å; R402-D420 PolarHBondContact NH2-OD2 2.99Å; F413-D420 HydrophobicContact CE1-CB 4.18Å; V416-D420 HydrophobicContact CG1-CB 4.28Å; T417-D420 PolarHBondContact N-OD2 3.2Å; T417-D420 WeakPolarHBondContact O-CB 3.17Å; T417-D420 PolarHBondContact O-N 2.73Å; T417-D420 PolarHBondContact OG1-OD2 3.03Å; M418-D420 VanDerWaalsContact C-N 3.29Å; M418-D420 PolarHBondContact O-N 3.17Å; D420-G422 PolarHBondContact O-N 3.33Å; D420-Y424 VanDerWaalsContact O-CE2 3.29Å; D420-Y424 WeakPolarHBondContact O-CE2 3.3Å; D420-Y424 PolarHBondContact O-OH 3.2Å; D420-L441 HydrophobicContact CB-CD2 4.02Å
421	T	95	Very high	94.7	Very high	61 Å²	61	36.8 Å²	36.8	37%	0.374	20%	0.204	S	C	.	.			trans	-63.1	124.8	179.9	-58.6	0	0	0	0	111.4	M418 Q419 L441 V443	M418-T421 WeakPolarHBondContact O-CB 3.42Å; M418-T421 PolarHBondContact O-N 3.44Å; M418-T421 PolarHBondContact O-OG1 3.32Å; Q419-T421 VanDerWaalsContact C-N 3.26Å; T421-L441 WeakPolarHBondContact CA-O 3.24Å; T421-V443 WeakPolarHBondContact OG1-CB 3.34Å; T421-V443 WeakPolarHBondContact OG1-CG2 3.13Å; T421-V443 PolarHBondContact OG1-N 3.07Å
422	G	95.7	Very high	94.5	Very high	16 Å²	16	38.7 Å²	38.7	17%	0.165	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	152.9	-178.1	174.2	0	0	0	0	0	114.5	D420 Y424 T440 L441	D420-G422 PolarHBondContact O-N 3.33Å; G422-Y424 WeakPolarHBondContact O-CD2 3.48Å; G422-T440 WeakPolarHBondContact O-CA 3.42Å; G422-L441 PolarHBondContact N-O 2.93Å; G422-L441 PolarHBondContact O-N 2.91Å
423	T	97.3	Very high	94.4	Very high	73 Å²	73	38.4 Å²	38.4	45%	0.448	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	119.9	179.4	-48.3	0	0	0	0	111.8	P389 A439	P389-T423 WeakPolarHBondContact CG-O 3.49Å; T423-A439 CarbonylContact C-O 3.23Å; T423-A439 WeakPolarHBondContact CA-O 3.47Å
424	Y	97.5	Very high	94.5	Very high	7 Å²	7	43.1 Å²	43.1	3%	0.027	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	137.5	171.1	-69.4	-103	0	0	0	109.2	L374 I387 T388 P389 L411 F413 D420 G422 S438 A439 L441	L374-Y424 HydrophobicContact CD1-CD2 4.01Å; L374-Y424 HydrophobicContact CD1-CG 3.98Å; I387-Y424 WeakPolarHBondContact O-CA 3.4Å; T388-Y424 HydrophobicContact CG2-CD1 4.25Å; T388-Y424 HydrophobicContact CG2-CE1 3.92Å; P389-Y424 HydrophobicContact CG-CD2 4.06Å; P389-Y424 HydrophobicContact CG-CE2 3.74Å; L411-Y424 HydrophobicContact CD2-CD1 3.48Å; L411-Y424 VanDerWaalsContact CD2-CD1 3.48Å; L411-Y424 HydrophobicContact CD2-CE1 3.89Å; L411-Y424 HydrophobicContact CD2-CG 4.23Å; F413-Y424 HydrophobicContact CE1-CE1 4.3Å; F413-Y424 AromaticContact CE1-CZ 3.97Å; F413-Y424 HydrophobicContact CZ-CD1 4.39Å; F413-Y424 AromaticContact CZ-CE1 3.78Å; F413-Y424 HydrophobicContact CZ-CE1 3.78Å; F413-Y424 HydrophobicContact CZ-CE2 4.19Å; F413-Y424 AromaticContact CZ-CZ 3.68Å; D420-Y424 VanDerWaalsContact O-CE2 3.29Å; D420-Y424 WeakPolarHBondContact O-CE2 3.3Å; D420-Y424 PolarHBondContact O-OH 3.2Å; G422-Y424 WeakPolarHBondContact O-CD2 3.48Å; Y424-S438 VanDerWaalsContact O-CA 3.31Å; Y424-S438 WeakPolarHBondContact O-CA 3.29Å; Y424-A439 PolarHBondContact N-O 2.75Å; Y424-A439 PolarHBondContact O-N 3.49Å; Y424-L441 HydrophobicContact CD2-CB 4.11Å; Y424-L441 HydrophobicContact CE2-CB 3.93Å; Y424-L441 HydrophobicContact CE2-CD2 4.2Å
425	T	97.6	Very high	94.6	Very high	30 Å²	30	41.4 Å²	41.4	18%	0.184	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	117.6	177.7	-60.8	0	0	0	0	110.4	I387 T436 S438	I387-T425 PolarHBondContact N-O 3.43Å; I387-T425 PolarHBondContact O-N 3Å; T425-T436 HydrophobicContact CG2-CG2 4.28Å; T425-S438 WeakPolarHBondContact CG2-OG 3.34Å; T425-S438 WeakPolarHBondContact OG1-CB 3.36Å; T425-S438 PolarHBondContact OG1-OG 3.4Å
426	C	97.5	Very high	94.8	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	131.5	166.1	-176.1	0	0	0	0	109.3	C376 W386 T436 A437	C376-C426 HydrophobicContact CB-CB 3.63Å; C376-C426 WeakPolarHBondContact CB-SG 3.41Å; C376-C426 WeakPolarHBondContact SG-CB 3.36Å; C376-C426 CovalentContact SG-SG 2.03Å; C376-C426 PolarHBondContact SG-SG 3.02Å; W386-C426 HydrophobicContact CD2-CB 4.01Å; W386-C426 HydrophobicContact CE3-CB 4.04Å; W386-C426 HydrophobicContact CH2-CB 3.86Å; W386-C426 HydrophobicContact CZ2-CB 3.78Å; W386-C426 HydrophobicContact CZ3-CB 3.97Å; C426-T436 VanDerWaalsContact O-CA 3.23Å; C426-T436 WeakPolarHBondContact O-CA 3Å; C426-A437 PolarHBondContact N-O 2.82Å; C426-A437 PolarHBondContact O-N 3.05Å
427	M	96.1	Very high	95	Very high	51 Å²	51	43 Å²	43	25%	0.251	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	119.4	172	-179.9	174.8	66.3	0	0	109.1	S385 T436	S385-M427 PolarHBondContact N-O 2.94Å; S385-M427 PolarHBondContact O-N 2.98Å; S385-M427 WeakPolarHBondContact OG-CE 3Å; S385-M427 PolarHBondContact OG-O 3.29Å; M427-T436 HydrophobicContact CB-CG2 3.88Å; M427-T436 HydrophobicContact CG-CG2 3.88Å
428	V	96.4	Very high	95.2	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	135.8	177.7	-174.6	0	0	0	0	108.8	P355 I357 A378 T382 S383 V384 N434 T435	P355-V428 HydrophobicContact CB-CG1 3.76Å; P355-V428 HydrophobicContact CG-CB 4.25Å; P355-V428 HydrophobicContact CG-CG1 3.9Å; P355-V428 WeakPolarHBondContact CG-O 3.39Å; I357-V428 HydrophobicContact CD1-CG2 4.07Å; I357-V428 HydrophobicContact CG1-CB 4.43Å; I357-V428 HydrophobicContact CG1-CG2 3.89Å; A378-V428 HydrophobicContact CB-CG1 3.74Å; A378-V428 HydrophobicContact CB-CG2 4.16Å; T382-V428 HydrophobicContact CG2-CG1 4.44Å; T382-V428 WeakPolarHBondContact OG1-CG1 3.42Å; S383-V428 VanDerWaalsContact O-CA 3.3Å; S383-V428 WeakPolarHBondContact O-CA 3.35Å; S383-V428 WeakPolarHBondContact O-CG1 3.44Å; V384-V428 HydrophobicContact CG1-CG2 4.45Å; V384-V428 HydrophobicContact CG2-CG1 4.36Å; V384-V428 HydrophobicContact CG2-CG2 4.24Å; V428-N434 CarbonylContact O-C 3.46Å; V428-N434 VanDerWaalsContact O-CA 3.32Å; V428-N434 WeakPolarHBondContact O-CA 3.24Å; V428-T435 PolarHBondContact N-O 3.15Å; V428-T435 PolarHBondContact O-N 3.43Å
429	S	95.1	Very high	95.5	Very high	14 Å²	14	41 Å²	41	10%	0.098	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	149.5	178.1	61.7	0	0	0	0	113.3	T382 S383 N434	T382-S429 CarbonylContact C-O 3.58Å; T382-S429 WeakPolarHBondContact CA-O 3.35Å; T382-S429 WeakPolarHBondContact CB-O 3.4Å; S383-S429 WeakPolarHBondContact CB-OG 3.34Å; S383-S429 PolarHBondContact N-O 2.9Å; S383-S429 PolarHBondContact O-N 3.38Å; S429-N434 WeakPolarHBondContact CB-OD1 3.31Å
430	N	94.4	Very high	95.8	Very high	22 Å²	22	35.1 Å²	35.1	12%	0.118	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	179.5	169.8	80.5	-1.1	0	0	0	110.4	Y353 P355 T382 A432 G433	Y353-N430 PolarHBondContact O-ND2 2.92Å; P355-N430 HydrophobicContact CB-CB 4.25Å; P355-N430 HydrophobicContact CG-CB 4.43Å; T382-N430 HydrophobicContact CG2-CB 3.99Å; N430-A432 PolarHBondContact O-N 3.03Å; N430-A432 WeakPolarHBondContact OD1-CA 3.36Å; N430-A432 WeakPolarHBondContact OD1-CB 3.39Å; N430-A432 PolarHBondContact OD1-N 3.08Å; N430-G433 PolarHBondContact N-O 3.12Å; N430-G433 PolarHBondContact O-N 3.47Å; N430-G433 VanDerWaalsContact O-N 3.08Å; N430-G433 PolarHBondContact OD1-N 3.31Å; N430-G433 VanDerWaalsContact OD1-N 3.1Å; N430-G433 PolarHBondContact OD1-O 3.45Å
431	S	91.9	Very high	95.9	Very high	12 Å²	12	34.7 Å²	34.7	8%	0.084	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	2.5	-175.6	-45.3	0	0	0	0	114.6	H285 W312 W315	H285-S431 PolarHBondContact CD2-N 2.92Å; H285-S431 PolarHBondContact CD2-OG 3.01Å; H285-S431 WeakPolarHBondContact NE2-CA 3.48Å; H285-S431 PolarHBondContact NE2-N 2.91Å; H285-S431 PolarHBondContact NE2-OG 3.13Å; W312-S431 WeakPolarHBondContact CB-OG 3.49Å; W312-S431 PolarHBondContact N-OG 3.15Å; W315-S431 VanDerWaalsContact CH2-O 3.31Å; W315-S431 WeakPolarHBondContact CH2-O 3.4Å
432	A	92.4	Very high	96	Very high	39 Å²	39	35.4 Å²	35.4	32%	0.322	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.2	-7.6	174.1	0	0	0	0	0	113.3	C352 N430	C352-A432 HydrophobicContact CB-CB 3.78Å; N430-A432 PolarHBondContact O-N 3.03Å; N430-A432 WeakPolarHBondContact OD1-CA 3.36Å; N430-A432 WeakPolarHBondContact OD1-CB 3.39Å; N430-A432 PolarHBondContact OD1-N 3.08Å
433	G	92.9	Very high	95.9	Very high	25 Å²	25	35 Å²	35	26%	0.258	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	149.7	-169.5	174.7	0	0	0	0	0	114.6	P355 N430	P355-G433 WeakPolarHBondContact CD-O 3.49Å; N430-G433 PolarHBondContact N-O 3.12Å; N430-G433 PolarHBondContact O-N 3.47Å; N430-G433 VanDerWaalsContact O-N 3.08Å; N430-G433 PolarHBondContact OD1-N 3.31Å; N430-G433 VanDerWaalsContact OD1-N 3.1Å; N430-G433 PolarHBondContact OD1-O 3.45Å
434	N	95.5	Very high	95.6	Very high	99 Å²	99	34 Å²	34	53%	0.529	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	156.5	-177.5	-61.6	4.3	0	0	0	110.6	V428 S429	V428-N434 CarbonylContact O-C 3.46Å; V428-N434 VanDerWaalsContact O-CA 3.32Å; V428-N434 WeakPolarHBondContact O-CA 3.24Å; S429-N434 WeakPolarHBondContact CB-OD1 3.31Å
435	T	96.3	Very high	94.9	Very high	49 Å²	49	35.8 Å²	35.8	30%	0.301	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	139.7	171.3	-68.7	0	0	0	0	109.3	P355 I357 V428	P355-T435 VanDerWaalsContact O-CB 3.26Å; P355-T435 WeakPolarHBondContact O-CB 3.28Å; P355-T435 PolarHBondContact O-OG1 3.31Å; I357-T435 HydrophobicContact CD1-CG2 4.1Å; I357-T435 HydrophobicContact CG1-CG2 4.22Å; V428-T435 PolarHBondContact N-O 3.15Å; V428-T435 PolarHBondContact O-N 3.43Å
436	T	96.9	Very high	93.4	Very high	86 Å²	86	39 Å²	39	53%	0.528	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	148.6	-173.3	47.4	0	0	0	0	111.7	T425 C426 M427	T425-T436 HydrophobicContact CG2-CG2 4.28Å; C426-T436 VanDerWaalsContact O-CA 3.23Å; C426-T436 WeakPolarHBondContact O-CA 3Å; M427-T436 HydrophobicContact CB-CG2 3.88Å; M427-T436 HydrophobicContact CG-CG2 3.88Å
437	A	97.2	Very high	91.6	Very high	20 Å²	20	46.8 Å²	46.8	17%	0.165	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	139.2	168.7	0	0	0	0	0	109.6	I357 P360 P361 C426	I357-A437 HydrophobicContact CD1-CB 3.72Å; P360-A437 HydrophobicContact CB-CB 4.17Å; P361-A437 HydrophobicContact CG-CB 4.23Å; C426-A437 PolarHBondContact N-O 2.82Å; C426-A437 PolarHBondContact O-N 3.05Å
438	S	97.4	Very high	89.5	Confident	69 Å²	69	51.3 Å²	51.3	48%	0.483	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	145	-173.7	-52.7	0	0	0	0	110.9	Y424 T425	Y424-S438 VanDerWaalsContact O-CA 3.31Å; Y424-S438 WeakPolarHBondContact O-CA 3.29Å; T425-S438 WeakPolarHBondContact CG2-OG 3.34Å; T425-S438 WeakPolarHBondContact OG1-CB 3.36Å; T425-S438 PolarHBondContact OG1-OG 3.4Å
439	A	97.6	Very high	87.4	Confident	2 Å²	2	56.6 Å²	56.6	2%	0.017	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	157.1	172.8	0	0	0	0	0	110.7	P361 T423 Y424	P361-A439 HydrophobicContact CB-CB 3.66Å; P361-A439 HydrophobicContact CG-CB 4.04Å; T423-A439 CarbonylContact C-O 3.23Å; T423-A439 WeakPolarHBondContact CA-O 3.47Å; Y424-A439 PolarHBondContact N-O 2.75Å; Y424-A439 PolarHBondContact O-N 3.49Å
440	T	97.2	Very high	85.3	Confident	54 Å²	54	62.9 Å²	62.9	33%	0.331	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	121.4	-177.5	-46.5	0	0	0	0	110.1	D363 L364 G422	D363-T440 WeakPolarHBondContact CA-O 3.39Å; D363-T440 VanDerWaalsContact OD1-CB 3.32Å; D363-T440 WeakPolarHBondContact OD1-CB 3.5Å; D363-T440 PolarHBondContact OD1-N 2.75Å; D363-T440 PolarHBondContact OD1-OG1 2.97Å; L364-T440 PolarHBondContact N-O 3.32Å; G422-T440 WeakPolarHBondContact O-CA 3.42Å
441	L	96.8	Very high	83	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	128	166.2	-177.4	64.4	0	0	0	108	L364 V366 A372 L374 F413 V416 D420 T421 G422 Y424 V443	L364-L441 HydrophobicContact CB-CD1 4.29Å; L364-L441 HydrophobicContact CD2-CD1 4.25Å; V366-L441 HydrophobicContact CG2-CD1 3.9Å; A372-L441 HydrophobicContact CB-CD1 4.44Å; L374-L441 HydrophobicContact CD1-CB 4.47Å; F413-L441 HydrophobicContact CD1-CD2 4.25Å; F413-L441 HydrophobicContact CE1-CD2 3.72Å; F413-L441 HydrophobicContact CE2-CD2 4.2Å; F413-L441 HydrophobicContact CZ-CD2 3.7Å; V416-L441 HydrophobicContact CG1-CD2 4.23Å; D420-L441 HydrophobicContact CB-CD2 4.02Å; T421-L441 WeakPolarHBondContact CA-O 3.24Å; G422-L441 PolarHBondContact N-O 2.93Å; G422-L441 PolarHBondContact O-N 2.91Å; Y424-L441 HydrophobicContact CD2-CB 4.11Å; Y424-L441 HydrophobicContact CE2-CB 3.93Å; Y424-L441 HydrophobicContact CE2-CD2 4.2Å; L441-V443 HydrophobicContact CG-CG2 4.27Å
442	N	95.6	Very high	80.9	Confident	76 Å²	76	75.7 Å²	75.7	41%	0.406	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	121	-179.2	178.7	32.2	0	0	0	109.6	L364 N365 V366	L364-N442 PolarHBondContact O-N 2.92Å; N365-N442 WeakPolarHBondContact CA-O 3.19Å; N365-N442 WeakPolarHBondContact OD1-CB 3.43Å; N365-N442 PolarHBondContact OD1-ND2 3.09Å; V366-N442 PolarHBondContact N-O 2.8Å
443	V	94.6	Very high	78.6	Confident	6 Å²	6	82.2 Å²	82.2	4%	0.036	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	131.2	-171	-167.2	0	0	0	0	110.5	V366 E368 V416 M418 T421 L441	V366-V443 CarbonylContact O-C 3.57Å; V366-V443 VanDerWaalsContact O-CA 3.27Å; V366-V443 WeakPolarHBondContact O-CA 3.42Å; E368-V443 HydrophobicContact CB-CG1 4.13Å; V416-V443 HydrophobicContact CG1-CB 4.26Å; V416-V443 HydrophobicContact CG1-CG1 3.8Å; V416-V443 HydrophobicContact CG1-CG2 3.39Å; M418-V443 VanDerWaalsContact CE-O 3.23Å; M418-V443 WeakPolarHBondContact CE-O 3.17Å; M418-V443 HydrophobicContact SD-CB 4.12Å; M418-V443 HydrophobicContact SD-CG1 3.83Å; T421-V443 WeakPolarHBondContact OG1-CB 3.34Å; T421-V443 WeakPolarHBondContact OG1-CG2 3.13Å; T421-V443 PolarHBondContact OG1-N 3.07Å; L441-V443 HydrophobicContact CG-CG2 4.27Å
444	S	91.3	Very high	76	Confident	53 Å²	53	87.1 Å²	87.1	37%	0.371	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	141.5	-180	57	0	0	0	0	113.1	V366 T367 E368	V366-S444 PolarHBondContact O-N 2.82Å; V366-S444 PolarHBondContact O-OG 2.88Å; T367-S444 CarbonylContact C-O 3.53Å; T367-S444 VanDerWaalsContact CA-O 3.27Å; T367-S444 WeakPolarHBondContact CA-O 3.26Å; E368-S444 PolarHBondContact N-O 2.96Å
445	S	81.9	Confident	73.5	Confident	45 Å²	45	88.5 Å²	88.5	32%	0.315	49%	0.494	S	S	.	.			trans	-71.3	146.2	168.6	171.6	0	0	0	0	110.8	E447	S445-E447 VanDerWaalsContact C-N 3.25Å; S445-E447 PolarHBondContact O-N 3.1Å; S445-E447 PolarHBondContact OG-N 3.08Å
446	T	66.9	Low	70.7	Confident	97 Å²	97	92 Å²	92	60%	0.595	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-4.2	177.4	50	0	0	0	0	114.1	T367 N448	T367-T446 HydrophobicContact CG2-CG2 4.35Å; T446-N448 VanDerWaalsContact C-N 3.27Å; T446-N448 PolarHBondContact O-N 2.89Å
447	E	59.3	Low	68.1	Low	163 Å²	163	93.9 Å²	93.9	76%	0.762	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-13	-173.5	-67.2	-177.8	134.8	0	0	114.8	S445 V449	S445-E447 VanDerWaalsContact C-N 3.25Å; S445-E447 PolarHBondContact O-N 3.1Å; S445-E447 PolarHBondContact OG-N 3.08Å; E447-V449 PolarHBondContact O-N 2.96Å
448	N	51.7	Low	65.1	Low	146 Å²	146	98.5 Å²	98.5	78%	0.781	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.2	40.5	-176.5	-81.1	-25.5	0	0	0	115.2	T446	T446-N448 VanDerWaalsContact C-N 3.27Å; T446-N448 PolarHBondContact O-N 2.89Å
449	V	52.2	Low	62.1	Low	111 Å²	111	103.9 Å²	103.9	67%	0.673	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.7	4.6	175.6	-160.4	0	0	0	0	113.1	E447	E447-V449 PolarHBondContact O-N 2.96Å
450	L	51.4	Low	59	Low	147 Å²	147	109.9 Å²	109.9	77%	0.77	61%	0.607	S	S	*	*			trans	-125	53.8	-178.9	-80.5	169.7	0	0	0	113.7	F453	L450-F453 HydrophobicContact CD2-CE2 4.46Å
451	S	46.1	Very low	55.9	Low	104 Å²	104	115 Å²	115	73%	0.727	63%	0.631	S	S	*	*			trans	-135.2	36	179.2	55.3	0	0	0	0	115
452	Y	46.9	Very low	52.9	Low	198 Å²	198	122.9 Å²	122.9	78%	0.776	67%	0.667	S	S	*	*			trans	-126.1	32.1	168.9	70.5	-89.1	0	0	0	115.1	T454	Y452-T454 PolarHBondContact O-N 3.33Å
453	F	44.6	Very low	50.1	Low	176 Å²	176	125.1 Å²	125.1	77%	0.772	69%	0.686	S	S	*	*			trans	-87.2	93.1	161.7	-77.2	-73.4	0	0	0	110.4	L450 T455	L450-F453 HydrophobicContact CD2-CE2 4.46Å; F453-T455 PolarHBondContact O-N 3.15Å; F453-T455 VanDerWaalsContact O-N 3.13Å
454	T	39.3	Very low	47	Very low	128 Å²	128	129.9 Å²	129.9	79%	0.785	72%	0.715	S	S	*	*			trans	-64.2	107.2	170.1	45.3	0	0	0	0	110.3	Y452 V456	Y452-T454 PolarHBondContact O-N 3.33Å; T454-V456 PolarHBondContact O-N 3.19Å; T454-V456 VanDerWaalsContact O-N 3.11Å
455	T	43.3	Very low	44.2	Very low	129 Å²	129	135 Å²	135	79%	0.791	73%	0.733	S	S	*	*			trans	-70.7	101.4	174.5	49.9	0	0	0	0	110.6	F453 T457	F453-T455 PolarHBondContact O-N 3.15Å; F453-T455 VanDerWaalsContact O-N 3.13Å; T455-T457 PolarHBondContact O-N 2.94Å
456	V	36.6	Very low	41.7	Very low	121 Å²	121	139 Å²	139	73%	0.733	75%	0.751	S	S	*	*			trans	-76.7	108.7	168	-179.9	0	0	0	0	108.2	T454 V458	T454-V456 PolarHBondContact O-N 3.19Å; T454-V456 VanDerWaalsContact O-N 3.11Å; V456-V458 HydrophobicContact CG1-CG2 4.32Å; V456-V458 PolarHBondContact O-N 3.48Å
457	T	41.2	Very low	39.9	Very low	127 Å²	127	143.7 Å²	143.7	78%	0.779	77%	0.766	S	S	*	*			trans	-75.2	116.8	173.5	48.5	0	0	0	0	110.1	T455	T455-T457 PolarHBondContact O-N 2.94Å
458	V	36	Very low	38.4	Very low	117 Å²	117	139.4 Å²	139.4	71%	0.709	77%	0.765	S	S	*	*			trans	-110.8	115.8	167.1	180	0	0	0	0	107.4	V456	V456-V458 HydrophobicContact CG1-CG2 4.32Å; V456-V458 PolarHBondContact O-N 3.48Å
459	E	34	Very low	37.3	Very low	182 Å²	182	144 Å²	144	85%	0.85	77%	0.772	S	S	*	*			trans	-75.1	123.4	173.3	-66.1	-175.9	134.3	0	0	109.7
460	T	31.4	Very low	36.1	Very low	128 Å²	128	144 Å²	144	79%	0.785	77%	0.772	S	S	*	*			trans	-101	121.2	172.7	52	0	0	0	0	110.1
461	I	33.6	Very low	35.1	Very low	162 Å²	162	142.9 Å²	142.9	83%	0.831	77%	0.771	S	S	*	*			trans	-107.9	130.7	166.7	-60.4	176.9	0	0	0	107.2
462	E	33.2	Very low	34.3	Very low	164 Å²	164	144 Å²	144	77%	0.766	77%	0.774	S	S	*	*			trans	-69.4	158.2	-179	-45.3	-176.8	132.6	0	0	111.3
463	P	36.4	Very low	33.5	Very low	124 Å²	124	138.2 Å²	138.2	81%	0.805	77%	0.774	S	S	*	*				-146	141.3	81.7	38.1	-20.6	0	0	0	117.3
464	V	29.4	Very low	32.9	Very low	105 Å²	105	137.8 Å²	137.8	64%	0.636	77%	0.774	S	S	*	*			trans	-18.3	144.7	134.4	178.9	0	0	0	0	114.8
465	H	32	Very low	32.5	Very low	160 Å²	160	138.2 Å²	138.2	74%	0.741	77%	0.771	S	S	*	*			cis	-147.9	176.6	17.8	-129.4	-59.5	0	0	0	111.3
466	D	29.1	Very low	31.8	Very low	131 Å²	131	138.9 Å²	138.9	70%	0.701	78%	0.775	S	S	*	*			trans	6.2	154.3	152.8	-83.3	-71.6	0	0	0	122.7
467	E	29.5	Very low	31.3	Very low	195 Å²	195	136.4 Å²	136.4	91%	0.911	77%	0.773	S	S	*	*			cis	-131.3	167.4	30.4	-66.2	-176.7	144.9	0	0	114.4
468	G	28.3	Very low	31.4	Very low	72 Å²	72	136.3 Å²	136.3	74%	0.742	78%	0.775	S	S	*	*			trans	-117.3	-178.8	-171.1	0	0	0	0	0	117.7
469	R	28.2	Very low	31.1	Very low	244 Å²	244	137 Å²	137	92%	0.921	78%	0.78	S	S	*	*			trans	-151.9	146.8	163.8	-152.1	163.5	-177.6	157.9	0.4	113.2
470	T	28.1	Very low	31.7	Very low	109 Å²	109	134.1 Å²	134.1	67%	0.669	78%	0.777	S	S	*	*			trans	-50.4	129.1	178.3	44.4	0	0	0	0	114.6
471	T	29.7	Very low	31.5	Very low	124 Å²	124	132.9 Å²	132.9	76%	0.761	77%	0.773	S	S	*	*				57.5	148.2	92	68.8	0	0	0	0	115
472	V	28.5	Very low	31.3	Very low	129 Å²	129	130.3 Å²	130.3	78%	0.782	78%	0.776	S	S	*	*			cis	-155.1	156.4	44.4	171.5	0	0	0	0	111.9	H474	V472-H474 HydrophobicContact CG1-CB 4.17Å
473	G	30.2	Very low	31	Very low	75 Å²	75	125.5 Å²	125.5	77%	0.773	77%	0.771	S	S	*	*			trans	145.7	99.7	160.6	0	0	0	0	0	113.6
474	H	32	Very low	30.4	Very low	168 Å²	168	124.6 Å²	124.6	78%	0.778	77%	0.768	S	S	*	*			cis	113.4	131.9	5.3	-133.9	83.7	0	0	0	116.1	V472	V472-H474 HydrophobicContact CG1-CB 4.17Å
475	N	31.2	Very low	30.3	Very low	137 Å²	137	129.9 Å²	129.9	73%	0.733	78%	0.776	S	S	*	*			trans	-76.1	-179.7	-157.9	-58.5	-38.2	0	0	0	117.8
476	V	29.4	Very low	29.9	Very low	143 Å²	143	129.4 Å²	129.4	87%	0.867	77%	0.774	S	S	*	*			trans	101.4	120.6	148.2	-169	0	0	0	0	119.7
477	G	26.1	Very low	29.8	Very low	68 Å²	68	128.7 Å²	128.7	70%	0.701	78%	0.775	S	S	*	*			trans	80.4	-178.2	146.5	0	0	0	0	0	118.4
478	P	43.3	Very low	29.5	Very low	126 Å²	126	125.6 Å²	125.6	82%	0.818	77%	0.769	S	S	*	*			cis	-136.4	-178.6	-5	42.7	-26.4	0	0	0	115.9
479	T	28.9	Very low	29.4	Very low	132 Å²	132	127 Å²	127	81%	0.81	77%	0.767	S	S	*	*			trans	-127.5	168.8	151.8	46.2	0	0	0	0	107.8
480	P	46.3	Very low	29.3	Very low	120 Å²	120	120.2 Å²	120.2	78%	0.779	76%	0.758	S	S	*	*			cis	-123	-139.2	9.4	35.2	-10.9	0	0	0	111.1
481	S	28.9	Very low	29.2	Very low	102 Å²	102	120.8 Å²	120.8	71%	0.713	76%	0.761	S	S	*	*			cis	-167.6	149.1	2.9	37.3	0	0	0	0	113.9
482	A	27.6	Very low	29.2	Very low	108 Å²	108	119.3 Å²	119.3	89%	0.893	76%	0.756	S	S	*	*			trans	72.8	150.2	145	0	0	0	0	0	122.4
483	G	27.1	Very low	29.2	Very low	64 Å²	64	120.1 Å²	120.1	66%	0.66	76%	0.761	S	S	*	*			trans	108	99.9	-178.8	0	0	0	0	0	112.2
484	S	23.7	Very low	29.1	Very low	105 Å²	105	122.5 Å²	122.5	73%	0.734	76%	0.761	S	S	*	*				46.7	133.6	89.9	64.7	0	0	0	0	114.4
485	W	28.5	Very low	28.9	Very low	216 Å²	216	121 Å²	121	82%	0.818	76%	0.764	S	S	*	*			cis	-141.5	168.9	35.3	-75	65.5	0	0	0	114.6
486	E	24.2	Very low	28.6	Very low	149 Å²	149	120.2 Å²	120.2	70%	0.696	76%	0.764	S	S	*	*			trans	9.3	153.2	139.8	-60.3	-178.2	176.3	0	0	121.3
487	T	25.7	Very low	28.5	Very low	117 Å²	117	119.9 Å²	119.9	72%	0.718	76%	0.763	S	S	*	*			cis	-160.2	147.5	7.7	2.1	0	0	0	0	113.3
488	V	23.6	Very low	28.6	Very low	130 Å²	130	120.9 Å²	120.9	79%	0.788	76%	0.764	S	S	*	*			trans	30.8	149.1	134.6	177.8	0	0	0	0	123.2
489	S	26.3	Very low	27.9	Very low	100 Å²	100	126.6 Å²	126.6	70%	0.699	77%	0.769	S	S	*	*			trans	82.6	122.3	171.5	70	0	0	0	0	115.9
490	S	27.2	Very low	27.8	Very low	103 Å²	103	126.6 Å²	126.6	72%	0.72	77%	0.769	S	S	*	*			cis	85.7	138.2	39.4	84.4	0	0	0	0	113.2
491	T	25.7	Very low	27.2	Very low	120 Å²	120	127 Å²	127	74%	0.736	77%	0.772	S	S	*	*			cis	-157.1	149.7	22.6	-28	0	0	0	0	113.4
492	S	28.8	Very low	27.2	Very low	93 Å²	93	130 Å²	130	65%	0.65	78%	0.779	S	S	*	*			trans	44.7	126.4	146.5	61.3	0	0	0	0	123.1
493	T	27.9	Very low	27.2	Very low	146 Å²	146	130.4 Å²	130.4	90%	0.896	78%	0.775	S	S	*	*				-150.7	164.1	103.6	10	0	0	0	0	110.2
494	T	28.8	Very low	27.3	Very low	125 Å²	125	133 Å²	133	77%	0.767	78%	0.779	S	S	*	*			trans	-135.9	144.8	-158.5	50.4	0	0	0	0	113.9
495	T	26.9	Very low	27.5	Very low	138 Å²	138	139.9 Å²	139.9	85%	0.847	79%	0.789	S	S	*	*			trans	-152	137.6	137.7	12.7	0	0	0	0	112.8
496	T	26.7	Very low	27.5	Very low	120 Å²	120	135.9 Å²	135.9	74%	0.736	79%	0.788	S	S	*	*			trans	-30.6	153.7	156.7	48.1	0	0	0	0	115.6
497	T	26.9	Very low	27.8	Very low	136 Å²	136	135.3 Å²	135.3	83%	0.834	80%	0.795	S	S	*	*			cis	-165.6	174.7	16.1	-1.7	0	0	0	0	108.5
498	A	27.8	Very low	28	Very low	89 Å²	89	139 Å²	139	74%	0.736	80%	0.804	S	S	*	*			cis	-151.7	-153	-0.7	0	0	0	0	0	109.3
499	R	27.8	Very low	28.2	Very low	246 Å²	246	142.9 Å²	142.9	93%	0.928	81%	0.81	S	S	*	*			trans	-148.4	154.3	169.4	-97.7	-176.5	174.2	171.4	-2.6	112.5
500	T	27.7	Very low	28.2	Very low	132 Å²	132	144.6 Å²	144.6	81%	0.81	82%	0.817	S	S	*	*			trans	-99.2	159.5	165.8	46.8	0	0	0	0	111.8
501	P	34.6	Very low	28.2	Very low	129 Å²	129	148.3 Å²	148.3	84%	0.838	82%	0.82	S	S	*	*			trans	-96	170	161.5	36.4	-30.7	0	0	0	112.5
502	L	28.4	Very low	28.4	Very low	163 Å²	163	148.6 Å²	148.6	85%	0.853	82%	0.822	S	S	*	*			trans	-110.7	158.8	-164.4	-167.2	69.7	0	0	0	112.8	T504	L502-T504 HydrophobicContact CD2-CG2 4.38Å
503	S	26.4	Very low	28.4	Very low	117 Å²	117	150.9 Å²	150.9	82%	0.818	83%	0.825	S	S	*	*			trans	-133.6	150.9	167.1	-173.9	0	0	0	0	110.5
504	T	29.2	Very low	28.5	Very low	119 Å²	119	150 Å²	150	73%	0.73	82%	0.822	S	S	*	*			trans	-135.1	137.6	-168.9	50.1	0	0	0	0	113.4	L502	L502-T504 HydrophobicContact CD2-CG2 4.38Å
505	R	27.6	Very low	28.9	Very low	249 Å²	249	150.7 Å²	150.7	94%	0.94	83%	0.826	S	S	*	*			trans	-159.5	153.6	149.6	-135.8	171.2	-179.3	163.9	0.7	111.6
506	V	29.8	Very low	29.1	Very low	133 Å²	133	150.1 Å²	150.1	81%	0.806	82%	0.822	S	S	*	*			trans	-131.7	154.9	-177.3	176.9	0	0	0	0	108.7
507	T	29.5	Very low	29.2	Very low	137 Å²	137	151.4 Å²	151.4	84%	0.84	83%	0.825	S	S	*	*			trans	-115.6	146.1	177.5	44.6	0	0	0	0	111.6
508	E	30.1	Very low	29.4	Very low	195 Å²	195	153.8 Å²	153.8	91%	0.911	83%	0.831	S	S	*	*			trans	-114.7	174.1	-178.3	-68.2	-170	129.4	0	0	112.8
509	K	28.1	Very low	29.7	Very low	210 Å²	210	157.8 Å²	157.8	91%	0.913	84%	0.84	S	S	*	*			trans	-110.1	157.9	-169.3	-69.1	-177.5	177.2	179.9	0	114
510	T	25.9	Very low	30.1	Very low	137 Å²	137	149.7 Å²	149.7	84%	0.84	83%	0.833	S	S	*	*			trans	-68.2	154.8	178.2	-40.5	0	0	0	0	113.9
511	F	28.2	Very low	30.4	Very low	180 Å²	180	147.6 Å²	147.6	79%	0.789	84%	0.838	S	S	*	*			trans	-139.3	156.7	173.1	-151.1	-89	0	0	0	111.1	I513	F511-I513 HydrophobicContact CD1-CD1 4.43Å; F511-I513 HydrophobicContact CD1-CG1 4.08Å; F511-I513 HydrophobicContact CE1-CD1 4.37Å; F511-I513 HydrophobicContact CE1-CG1 4.08Å
512	T	30.1	Very low	30.5	Very low	126 Å²	126	146.5 Å²	146.5	77%	0.773	83%	0.833	S	S	*	*			trans	-140.4	147.7	-179.8	42.6	0	0	0	0	112.2
513	I	28.2	Very low	31.3	Very low	142 Å²	142	147.1 Å²	147.1	73%	0.728	83%	0.834	S	S	*	*			trans	-143.4	143.1	-177.2	-62.5	-175.7	0	0	0	108.8	F511	F511-I513 HydrophobicContact CD1-CD1 4.43Å; F511-I513 HydrophobicContact CD1-CG1 4.08Å; F511-I513 HydrophobicContact CE1-CD1 4.37Å; F511-I513 HydrophobicContact CE1-CG1 4.08Å
514	P	30.9	Very low	32.2	Very low	126 Å²	126	147.7 Å²	147.7	82%	0.818	83%	0.833	S	S	*	*			trans	-88.9	-176.5	-170.1	36.5	-38.3	0	0	0	115.4
515	V	35.9	Very low	33.1	Very low	140 Å²	140	144.1 Å²	144.1	85%	0.848	82%	0.82	S	S	*	*			trans	-115.4	136.7	-169.3	175.7	0	0	0	0	112.6
516	T	31.1	Very low	34.2	Very low	126 Å²	126	139 Å²	139	77%	0.773	81%	0.81	S	S	*	*			trans	-148	143.5	152.9	29	0	0	0	0	112
517	D	29.4	Very low	35.3	Very low	147 Å²	147	137 Å²	137	79%	0.786	80%	0.795	S	S	*	*			trans	36.9	107.9	152.8	-54.5	-18.3	0	0	0	121.8
518	L	31.5	Very low	36.6	Very low	186 Å²	186	136.1 Å²	136.1	97%	0.974	78%	0.782	S	S	*	*			trans	-135.9	126.3	139.1	-79	-179.7	0	0	0	109.8
519	N	33.9	Very low	37.8	Very low	173 Å²	173	131.1 Å²	131.1	93%	0.925	76%	0.764	S	S	*	*			trans	-125.1	138.4	175.5	-173.1	15.2	0	0	0	110.1
520	G	35.7	Very low	39.1	Very low	76 Å²	76	125.8 Å²	125.8	78%	0.784	74%	0.744	S	S	*	*			trans	98.6	107.3	178.6	0	0	0	0	0	114.4
521	G	33.3	Very low	40.8	Very low	88 Å²	88	124.7 Å²	124.7	91%	0.907	73%	0.727	S	S	*	*			trans	157.4	34.4	175.1	0	0	0	0	0	117.5
522	S	37.3	Very low	42.5	Very low	106 Å²	106	119.5 Å²	119.5	74%	0.741	71%	0.71	S	S	*	*			trans	-130.4	117.8	179.2	-175.2	0	0	0	0	112.1
523	M	45.4	Very low	44	Very low	177 Å²	177	116.6 Å²	116.6	87%	0.872	69%	0.693	S	S	*	*	S	Bend	trans	170.3	65.6	144.9	-92.5	167.7	80.2	0	0	111.2
524	T	45.2	Very low	45.9	Very low	128 Å²	128	116.4 Å²	116.4	79%	0.785	69%	0.686	S	S	*	*	S	Bend	trans	-139.8	-43.6	170.6	50.6	0	0	0	0	113.3	L526	T524-L526 VanDerWaalsContact C-N 3.33Å; T524-L526 PolarHBondContact O-N 2.99Å
525	G	47.2	Very low	48	Very low	45 Å²	45	115.6 Å²	115.6	46%	0.464	67%	0.674	S	S	.	*	H	α-helix	trans	-67.2	-20.5	-171.7	0	0	0	0	0	117	V529	G525-V529 WeakPolarHBondContact O-CG2 3.32Å; G525-V529 PolarHBondContact O-N 3.49Å
526	L	50.7	Low	49.8	Very low	140 Å²	140	114.5 Å²	114.5	73%	0.733	66%	0.662	S	S	*	*	H	α-helix	trans	-70.6	-35.2	-175.4	-87.5	160.6	0	0	0	113.8	T524 M530	T524-L526 VanDerWaalsContact C-N 3.33Å; T524-L526 PolarHBondContact O-N 2.99Å; L526-M530 PolarHBondContact O-N 2.76Å; L526-M530 VanDerWaalsContact O-N 3.12Å
527	D	53.7	Low	52	Low	93 Å²	93	113.3 Å²	113.3	50%	0.497	65%	0.65	S	S	.	*	H	α-helix	trans	-73.8	-38.7	179.5	-165.9	56.3	0	0	0	111.6	V529 M530 K531	D527-V529 VanDerWaalsContact C-N 3.34Å; D527-V529 PolarHBondContact O-N 2.9Å; D527-M530 PolarHBondContact O-N 2.94Å; D527-M530 VanDerWaalsContact O-N 3.15Å; D527-M530 WeakPolarHBondContact OD1-CE 3.34Å; D527-K531 WeakPolarHBondContact O-CB 3.23Å; D527-K531 PolarHBondContact O-N 2.03Å
528	E	56.6	Low	54.3	Low	118 Å²	118	108.3 Å²	108.3	55%	0.551	63%	0.633	S	S	*	*	H	α-helix	trans	-56.4	-44.3	172.8	-76.8	-75.1	106.2	0	0	112.3	K531 T532	E528-K531 PolarHBondContact O-N 2.84Å; E528-T532 WeakPolarHBondContact O-CG2 3.39Å; E528-T532 PolarHBondContact O-N 2.91Å; E528-T532 PolarHBondContact O-OG1 3.36Å
529	V	55.5	Low	56.6	Low	90 Å²	90	102.7 Å²	102.7	55%	0.545	61%	0.609	S	S	.	*	H	α-helix	trans	-66.1	-40.1	176.1	173.5	0	0	0	0	111.4	G525 D527 K531 T532 T533	G525-V529 WeakPolarHBondContact O-CG2 3.32Å; G525-V529 PolarHBondContact O-N 3.49Å; D527-V529 VanDerWaalsContact C-N 3.34Å; D527-V529 PolarHBondContact O-N 2.9Å; V529-K531 VanDerWaalsContact C-N 3.32Å; V529-K531 PolarHBondContact O-N 2.82Å; V529-T532 WeakPolarHBondContact CA-OG1 3.25Å; V529-T532 PolarHBondContact O-OG1 3.38Å; V529-T532 VanDerWaalsContact O-OG1 3.07Å; V529-T533 WeakPolarHBondContact O-CB 3.18Å; V529-T533 PolarHBondContact O-N 3.37Å; V529-T533 VanDerWaalsContact O-N 3.09Å; V529-T533 PolarHBondContact O-OG1 2.88Å
530	M	56.2	Low	58.9	Low	97 Å²	97	101.7 Å²	101.7	48%	0.478	60%	0.596	S	S	.	*	H	α-helix	trans	-70.2	-29.6	178	-167.9	170.8	53.7	0	0	112.6	L526 D527 K534	L526-M530 PolarHBondContact O-N 2.76Å; L526-M530 VanDerWaalsContact O-N 3.12Å; D527-M530 PolarHBondContact O-N 2.94Å; D527-M530 VanDerWaalsContact O-N 3.15Å; D527-M530 WeakPolarHBondContact OD1-CE 3.34Å; M530-K534 WeakPolarHBondContact O-CG 3.12Å; M530-K534 PolarHBondContact O-N 2.86Å
531	K	61.6	Low	61.3	Low	114 Å²	114	102 Å²	102	50%	0.496	58%	0.583	S	S	.	*	H	α-helix	trans	-77.6	-44.7	179.2	-162.8	176.3	-167.4	173.6	0	112	D527 E528 V529 K534 I535	D527-K531 WeakPolarHBondContact O-CB 3.23Å; D527-K531 PolarHBondContact O-N 2.03Å; E528-K531 PolarHBondContact O-N 2.84Å; V529-K531 VanDerWaalsContact C-N 3.32Å; V529-K531 PolarHBondContact O-N 2.82Å; K531-K534 PolarHBondContact O-N 2.8Å; K531-I535 WeakPolarHBondContact O-CG1 3.22Å; K531-I535 PolarHBondContact O-N 2.72Å
532	T	64.1	Low	63.7	Low	71 Å²	71	100.3 Å²	100.3	44%	0.436	56%	0.56	S	S	.	*	H	α-helix	trans	-63.7	-41.5	173.3	46.7	0	0	0	0	112.1	E528 V529 K534 I535 I536	E528-T532 WeakPolarHBondContact O-CG2 3.39Å; E528-T532 PolarHBondContact O-N 2.91Å; E528-T532 PolarHBondContact O-OG1 3.36Å; V529-T532 WeakPolarHBondContact CA-OG1 3.25Å; V529-T532 PolarHBondContact O-OG1 3.38Å; V529-T532 VanDerWaalsContact O-OG1 3.07Å; T532-K534 VanDerWaalsContact C-N 3.34Å; T532-K534 PolarHBondContact O-N 2.89Å; T532-I535 PolarHBondContact O-N 3.47Å; T532-I535 VanDerWaalsContact O-N 3.15Å; T532-I536 WeakPolarHBondContact O-CG1 3.47Å; T532-I536 PolarHBondContact O-N 2.84Å; T532-I536 VanDerWaalsContact O-N 3.12Å
533	T	61.7	Low	66	Low	66 Å²	66	100.7 Å²	100.7	41%	0.405	55%	0.553	S	S	.	*	H	α-helix	trans	-59.2	-41.5	175.6	-57.4	0	0	0	0	112.4	V529 I535 I536 I537	V529-T533 WeakPolarHBondContact O-CB 3.18Å; V529-T533 PolarHBondContact O-N 3.37Å; V529-T533 VanDerWaalsContact O-N 3.09Å; V529-T533 PolarHBondContact O-OG1 2.88Å; T533-I535 VanDerWaalsContact C-N 3.34Å; T533-I535 PolarHBondContact O-N 3.37Å; T533-I536 PolarHBondContact O-N 2.63Å; T533-I537 HydrophobicContact CG2-CD1 3.99Å; T533-I537 WeakPolarHBondContact O-CG1 3.49Å; T533-I537 PolarHBondContact O-N 3.28Å; T533-I537 VanDerWaalsContact O-N 3.08Å
534	K	67.1	Low	67.8	Low	137 Å²	137	95.7 Å²	95.7	60%	0.596	53%	0.532	S	S	*	.	H	α-helix	trans	-63.1	-36.5	176.2	-75.7	170.1	-177.4	172.3	0	112.9	M530 K531 T532 G538	M530-K534 WeakPolarHBondContact O-CG 3.12Å; M530-K534 PolarHBondContact O-N 2.86Å; K531-K534 PolarHBondContact O-N 2.8Å; T532-K534 VanDerWaalsContact C-N 3.34Å; T532-K534 PolarHBondContact O-N 2.89Å; K534-G538 PolarHBondContact O-N 3.12Å
535	I	74.3	Confident	69.8	Low	109 Å²	109	94.8 Å²	94.8	56%	0.559	52%	0.522	S	S	*	.	H	α-helix	trans	-65.7	-45.5	176.1	-65.3	167	0	0	0	110.4	K531 T532 T533 I537 G538 C539	K531-I535 WeakPolarHBondContact O-CG1 3.22Å; K531-I535 PolarHBondContact O-N 2.72Å; T532-I535 PolarHBondContact O-N 3.47Å; T532-I535 VanDerWaalsContact O-N 3.15Å; T533-I535 VanDerWaalsContact C-N 3.34Å; T533-I535 PolarHBondContact O-N 3.37Å; I535-I537 PolarHBondContact O-N 2.94Å; I535-G538 PolarHBondContact O-N 3.15Å; I535-C539 PolarHBondContact O-N 3.31Å; I535-C539 PolarHBondContact O-SG 3.24Å; I535-C539 VanDerWaalsContact O-SG 3.39Å
536	I	74.1	Confident	71.7	Confident	117 Å²	117	98.7 Å²	98.7	60%	0.6	53%	0.53	S	S	*	.	H	α-helix	trans	-61.1	-45.9	179.6	-65.4	165.5	0	0	0	111.1	T532 T533 G538 C539 F540	T532-I536 WeakPolarHBondContact O-CG1 3.47Å; T532-I536 PolarHBondContact O-N 2.84Å; T532-I536 VanDerWaalsContact O-N 3.12Å; T533-I536 PolarHBondContact O-N 2.63Å; I536-G538 PolarHBondContact O-N 2.82Å; I536-C539 PolarHBondContact O-N 3.39Å; I536-F540 PolarHBondContact O-N 3.34Å
537	I	76.8	Confident	73.3	Confident	102 Å²	102	94.4 Å²	94.4	52%	0.523	52%	0.515	S	S	.	.	H	α-helix	trans	-61.4	-44.2	175.7	-65.4	167.4	0	0	0	110.7	T533 I535 C539 F540 V541	T533-I537 HydrophobicContact CG2-CD1 3.99Å; T533-I537 WeakPolarHBondContact O-CG1 3.49Å; T533-I537 PolarHBondContact O-N 3.28Å; T533-I537 VanDerWaalsContact O-N 3.08Å; I535-I537 PolarHBondContact O-N 2.94Å; I537-C539 PolarHBondContact O-N 3.03Å; I537-F540 PolarHBondContact O-N 2.85Å; I537-V541 HydrophobicContact CG2-CG2 4.46Å; I537-V541 WeakPolarHBondContact O-CG2 3.5Å; I537-V541 PolarHBondContact O-N 2.89Å
538	G	78.6	Confident	75	Confident	41 Å²	41	92.1 Å²	92.1	42%	0.423	51%	0.508	S	S	.	.	H	α-helix	trans	-58.3	-43.6	176	0	0	0	0	0	113.2	K534 I535 I536 A542	K534-G538 PolarHBondContact O-N 3.12Å; I535-G538 PolarHBondContact O-N 3.15Å; I536-G538 PolarHBondContact O-N 2.82Å; G538-A542 WeakPolarHBondContact O-CB 3.46Å; G538-A542 PolarHBondContact O-N 3.23Å
539	C	80.6	Confident	76.5	Confident	68 Å²	68	89.5 Å²	89.5	46%	0.459	50%	0.501	S	S	.	.	H	α-helix	trans	-63	-42.1	174.6	-69.7	0	0	0	0	112.3	I535 I536 I537 A542 I543	I535-C539 PolarHBondContact O-N 3.31Å; I535-C539 PolarHBondContact O-SG 3.24Å; I535-C539 VanDerWaalsContact O-SG 3.39Å; I536-C539 PolarHBondContact O-N 3.39Å; I537-C539 PolarHBondContact O-N 3.03Å; C539-A542 PolarHBondContact O-N 2.79Å; C539-I543 WeakPolarHBondContact O-CB 3.31Å; C539-I543 WeakPolarHBondContact O-CD1 3.49Å; C539-I543 VanDerWaalsContact O-CG1 3.26Å; C539-I543 WeakPolarHBondContact O-CG1 3.36Å; C539-I543 PolarHBondContact O-N 2.99Å
540	F	80.9	Confident	78	Confident	153 Å²	153	91 Å²	91	67%	0.671	50%	0.503	S	S	*	.	H	α-helix	trans	-66.4	-41.4	-180	-150.2	-87	0	0	0	111.9	I536 I537 I543 T544	I536-F540 PolarHBondContact O-N 3.34Å; I537-F540 PolarHBondContact O-N 2.85Å; F540-I543 PolarHBondContact O-N 2.82Å; F540-T544 HydrophobicContact CD1-CG2 4.26Å; F540-T544 HydrophobicContact CE1-CG2 4.22Å; F540-T544 WeakPolarHBondContact O-CG2 3.31Å; F540-T544 PolarHBondContact O-N 2.8Å; F540-T544 PolarHBondContact O-OG1 3.24Å
541	V	86.8	Confident	79.5	Confident	81 Å²	81	92.3 Å²	92.3	49%	0.491	51%	0.511	S	S	.	.	H	α-helix	trans	-63.2	-43.7	172.7	174.2	0	0	0	0	111.1	I537 I543 T544 L545	I537-V541 HydrophobicContact CG2-CG2 4.46Å; I537-V541 WeakPolarHBondContact O-CG2 3.5Å; I537-V541 PolarHBondContact O-N 2.89Å; V541-I543 PolarHBondContact O-N 2.82Å; V541-T544 WeakPolarHBondContact CA-OG1 3.48Å; V541-T544 PolarHBondContact O-N 3.24Å; V541-T544 PolarHBondContact O-OG1 2.73Å; V541-L545 WeakPolarHBondContact O-CB 3.49Å; V541-L545 PolarHBondContact O-N 2.65Å
542	A	82.4	Confident	80.7	Confident	53 Å²	53	91.9 Å²	91.9	44%	0.438	51%	0.513	S	S	.	.	H	α-helix	trans	-63	-42.5	177.7	0	0	0	0	0	113	G538 C539 L545 M546	G538-A542 WeakPolarHBondContact O-CB 3.46Å; G538-A542 PolarHBondContact O-N 3.23Å; C539-A542 PolarHBondContact O-N 2.79Å; A542-L545 PolarHBondContact O-N 3.37Å; A542-M546 WeakPolarHBondContact O-CB 3.42Å; A542-M546 VanDerWaalsContact O-CG 3.28Å; A542-M546 WeakPolarHBondContact O-CG 3.47Å; A542-M546 PolarHBondContact O-N 2.79Å
543	I	86.8	Confident	81.6	Confident	115 Å²	115	92.3 Å²	92.3	59%	0.59	51%	0.512	S	S	*	.	H	α-helix	trans	-64.4	-44.8	178.3	-70.8	164.7	0	0	0	110.9	C539 F540 V541 M546 A547	C539-I543 WeakPolarHBondContact O-CB 3.31Å; C539-I543 WeakPolarHBondContact O-CD1 3.49Å; C539-I543 VanDerWaalsContact O-CG1 3.26Å; C539-I543 WeakPolarHBondContact O-CG1 3.36Å; C539-I543 PolarHBondContact O-N 2.99Å; F540-I543 PolarHBondContact O-N 2.82Å; V541-I543 PolarHBondContact O-N 2.82Å; I543-M546 PolarHBondContact O-N 2.9Å; I543-A547 WeakPolarHBondContact O-CB 3.42Å; I543-A547 PolarHBondContact O-N 2.89Å
544	T	83.4	Confident	82.6	Confident	72 Å²	72	96.6 Å²	96.6	44%	0.442	53%	0.525	S	S	.	.	H	α-helix	trans	-67.2	-37.8	178.5	46.6	0	0	0	0	112.7	F540 V541 A547 A548	F540-T544 HydrophobicContact CD1-CG2 4.26Å; F540-T544 HydrophobicContact CE1-CG2 4.22Å; F540-T544 WeakPolarHBondContact O-CG2 3.31Å; F540-T544 PolarHBondContact O-N 2.8Å; F540-T544 PolarHBondContact O-OG1 3.24Å; V541-T544 WeakPolarHBondContact CA-OG1 3.48Å; V541-T544 PolarHBondContact O-N 3.24Å; V541-T544 PolarHBondContact O-OG1 2.73Å; T544-A547 PolarHBondContact O-N 3.32Å; T544-A548 WeakPolarHBondContact O-CB 3.5Å; T544-A548 PolarHBondContact O-N 2.95Å
545	L	87.1	Confident	83.6	Confident	108 Å²	108	97.8 Å²	97.8	57%	0.565	53%	0.527	S	S	*	.	H	α-helix	trans	-63.2	-45	172	-117.9	164.8	0	0	0	112.1	V541 A542 A547 A548 V549	V541-L545 WeakPolarHBondContact O-CB 3.49Å; V541-L545 PolarHBondContact O-N 2.65Å; A542-L545 PolarHBondContact O-N 3.37Å; L545-A547 PolarHBondContact O-N 3.22Å; L545-A548 PolarHBondContact O-N 2.96Å; L545-V549 WeakPolarHBondContact O-CG2 3.32Å; L545-V549 PolarHBondContact O-N 2.87Å
546	M	86.1	Confident	83.7	Confident	128 Å²	128	99.7 Å²	99.7	63%	0.631	53%	0.532	S	S	*	.	H	α-helix	trans	-63	-40.4	176.6	-73.2	-69.6	-75.8	0	0	111.9	A542 I543 V549 M550	A542-M546 WeakPolarHBondContact O-CB 3.42Å; A542-M546 VanDerWaalsContact O-CG 3.28Å; A542-M546 WeakPolarHBondContact O-CG 3.47Å; A542-M546 PolarHBondContact O-N 2.79Å; I543-M546 PolarHBondContact O-N 2.9Å; M546-V549 PolarHBondContact O-N 3.06Å; M546-M550 WeakPolarHBondContact O-CB 3.43Å; M546-M550 VanDerWaalsContact O-CG 3.23Å; M546-M550 WeakPolarHBondContact O-CG 3.44Å; M546-M550 PolarHBondContact O-N 3Å
547	A	85.8	Confident	83.7	Confident	50 Å²	50	99.9 Å²	99.9	41%	0.413	53%	0.531	S	S	.	.	H	α-helix	trans	-62.4	-43.7	174.4	0	0	0	0	0	112.1	I543 T544 L545 M550 L551	I543-A547 WeakPolarHBondContact O-CB 3.42Å; I543-A547 PolarHBondContact O-N 2.89Å; T544-A547 PolarHBondContact O-N 3.32Å; L545-A547 PolarHBondContact O-N 3.22Å; A547-M550 PolarHBondContact O-N 2.76Å; A547-L551 WeakPolarHBondContact O-CG 3.29Å; A547-L551 PolarHBondContact O-N 3.23Å
548	A	88.6	Confident	83.6	Confident	44 Å²	44	104.6 Å²	104.6	36%	0.364	54%	0.543	S	S	.	.	H	α-helix	trans	-62.7	-43.5	175.9	0	0	0	0	0	112.3	T544 L545 M550 L551 I552	T544-A548 WeakPolarHBondContact O-CB 3.5Å; T544-A548 PolarHBondContact O-N 2.95Å; L545-A548 PolarHBondContact O-N 2.96Å; A548-M550 PolarHBondContact O-N 2.83Å; A548-L551 PolarHBondContact O-N 3.31Å; A548-I552 VanDerWaalsContact O-CG1 3.3Å; A548-I552 WeakPolarHBondContact O-CG1 3.39Å; A548-I552 PolarHBondContact O-N 2.72Å
549	V	88.8	Confident	83.5	Confident	64 Å²	64	108.4 Å²	108.4	39%	0.388	55%	0.547	S	S	.	.	H	α-helix	trans	-61.6	-43.8	175.2	169.7	0	0	0	0	111.2	L545 M546 L551 I552 I553	L545-V549 WeakPolarHBondContact O-CG2 3.32Å; L545-V549 PolarHBondContact O-N 2.87Å; M546-V549 PolarHBondContact O-N 3.06Å; V549-L551 PolarHBondContact O-N 3.25Å; V549-I552 PolarHBondContact O-N 2.81Å; V549-I553 HydrophobicContact CG1-CD1 3.87Å; V549-I553 WeakPolarHBondContact O-CG1 3.48Å; V549-I553 PolarHBondContact O-N 2.93Å
550	M	85.5	Confident	82.9	Confident	121 Å²	121	111 Å²	111	60%	0.596	55%	0.553	S	S	*	*	H	α-helix	trans	-63.4	-39.4	177.2	-70.5	-69.5	-80.7	0	0	112.2	M546 A547 A548 I553 F554	M546-M550 WeakPolarHBondContact O-CB 3.43Å; M546-M550 VanDerWaalsContact O-CG 3.23Å; M546-M550 WeakPolarHBondContact O-CG 3.44Å; M546-M550 PolarHBondContact O-N 3Å; A547-M550 PolarHBondContact O-N 2.76Å; A548-M550 PolarHBondContact O-N 2.83Å; M550-I553 PolarHBondContact O-N 3.15Å; M550-I553 HydrophobicContact SD-CD1 4.49Å; M550-F554 WeakPolarHBondContact O-CB 3.47Å; M550-F554 PolarHBondContact O-N 2.98Å
551	L	87.8	Confident	82	Confident	125 Å²	125	109.6 Å²	109.6	65%	0.654	55%	0.548	S	S	*	.	H	α-helix	trans	-64.1	-40.6	173.4	-74.4	168.5	0	0	0	112.4	A547 A548 V549 F554 Y555	A547-L551 WeakPolarHBondContact O-CG 3.29Å; A547-L551 PolarHBondContact O-N 3.23Å; A548-L551 PolarHBondContact O-N 3.31Å; V549-L551 PolarHBondContact O-N 3.25Å; L551-F554 PolarHBondContact O-N 2.91Å; L551-Y555 WeakPolarHBondContact O-CB 3.27Å; L551-Y555 PolarHBondContact O-N 3.4Å
552	I	87.2	Confident	80.7	Confident	105 Å²	105	111.9 Å²	111.9	54%	0.538	55%	0.553	S	S	.	*	H	α-helix	trans	-64.9	-39.2	175.8	-68.5	163.6	0	0	0	111.2	A548 V549 K556	A548-I552 VanDerWaalsContact O-CG1 3.3Å; A548-I552 WeakPolarHBondContact O-CG1 3.39Å; A548-I552 PolarHBondContact O-N 2.72Å; V549-I552 PolarHBondContact O-N 2.81Å; I552-K556 PolarHBondContact O-N 3.41Å
553	I	84.1	Confident	79.5	Confident	80 Å²	80	115.5 Å²	115.5	41%	0.41	56%	0.561	S	S	.	*	H	α-helix	trans	-63.4	-47.5	173.6	-68.9	165.6	0	0	0	110.2	V549 M550 Y555 K556 M557	V549-I553 HydrophobicContact CG1-CD1 3.87Å; V549-I553 WeakPolarHBondContact O-CG1 3.48Å; V549-I553 PolarHBondContact O-N 2.93Å; M550-I553 PolarHBondContact O-N 3.15Å; M550-I553 HydrophobicContact SD-CD1 4.49Å; I553-Y555 VanDerWaalsContact C-N 3.34Å; I553-Y555 PolarHBondContact O-N 3.32Å; I553-K556 PolarHBondContact O-N 2.84Å; I553-M557 HydrophobicContact CG2-CG 4.48Å; I553-M557 HydrophobicContact CG2-SD 4.21Å; I553-M557 WeakPolarHBondContact O-CG 3.22Å; I553-M557 PolarHBondContact O-N 3.42Å
554	F	82.6	Confident	77.9	Confident	156 Å²	156	117 Å²	117	68%	0.684	57%	0.565	S	S	*	*	H	α-helix	trans	-61.2	-41.4	178.7	-133.3	-87.8	0	0	0	112.1	M550 L551 M557 R558	M550-F554 WeakPolarHBondContact O-CB 3.47Å; M550-F554 PolarHBondContact O-N 2.98Å; L551-F554 PolarHBondContact O-N 2.91Å; F554-M557 PolarHBondContact O-N 2.92Å; F554-R558 WeakPolarHBondContact O-CB 3.27Å; F554-R558 PolarHBondContact O-N 2.95Å
555	Y	88.4	Confident	76.3	Confident	162 Å²	162	119.1 Å²	119.1	64%	0.635	57%	0.574	S	S	*	*	H	α-helix	trans	-63.6	-43.9	174.7	-178.1	-94.6	0	0	0	112	L551 I553 R558 K559	L551-Y555 WeakPolarHBondContact O-CB 3.27Å; L551-Y555 PolarHBondContact O-N 3.4Å; I553-Y555 VanDerWaalsContact C-N 3.34Å; I553-Y555 PolarHBondContact O-N 3.32Å; Y555-R558 PolarHBondContact O-N 2.98Å; Y555-K559 WeakPolarHBondContact O-CB 3.4Å; Y555-K559 PolarHBondContact O-N 3.47Å
556	K	76.3	Confident	74.4	Confident	149 Å²	149	120.9 Å²	120.9	65%	0.648	58%	0.579	S	S	*	*	H	α-helix	trans	-61.4	-46.6	173.7	-88.5	-170.1	171.5	-176.1	0	112.2	I552 I553 R558 K559 Q560	I552-K556 PolarHBondContact O-N 3.41Å; I553-K556 PolarHBondContact O-N 2.84Å; K556-R558 PolarHBondContact O-N 2.82Å; K556-K559 PolarHBondContact O-N 2.93Å; K556-Q560 WeakPolarHBondContact O-CB 3.47Å; K556-Q560 PolarHBondContact O-N 3.38Å
557	M	72.6	Confident	72.4	Confident	121 Å²	121	123.1 Å²	123.1	60%	0.596	59%	0.588	S	S	*	*	H	α-helix	trans	-60.2	-45.4	177.2	-73.3	-175.5	66.1	0	0	111.7	I553 F554 K559 Q560 H561	I553-M557 HydrophobicContact CG2-CG 4.48Å; I553-M557 HydrophobicContact CG2-SD 4.21Å; I553-M557 WeakPolarHBondContact O-CG 3.22Å; I553-M557 PolarHBondContact O-N 3.42Å; F554-M557 PolarHBondContact O-N 2.92Å; M557-K559 PolarHBondContact O-N 2.93Å; M557-Q560 PolarHBondContact O-N 3.24Å; M557-H561 WeakPolarHBondContact O-CB 3.35Å; M557-H561 PolarHBondContact O-N 2.91Å
558	R	75.7	Confident	69.9	Low	201 Å²	201	124.9 Å²	124.9	76%	0.758	60%	0.602	S	S	*	*	H	α-helix	trans	-63	-39.9	177.4	-167.4	171.8	-175.9	165	1.5	112	F554 Y555 K556 H562	F554-R558 WeakPolarHBondContact O-CB 3.27Å; F554-R558 PolarHBondContact O-N 2.95Å; Y555-R558 PolarHBondContact O-N 2.98Å; K556-R558 PolarHBondContact O-N 2.82Å; R558-H562 PolarHBondContact O-N 3.43Å; R558-H562 VanDerWaalsContact O-N 3.11Å
559	K	75.6	Confident	67.5	Low	120 Å²	120	128.8 Å²	128.8	52%	0.522	62%	0.624	S	S	.	*	H	α-helix	trans	-66.3	-40.6	174.8	-172.8	168.7	-176.8	170.7	0	112.3	Y555 K556 M557 H562 Q563	Y555-K559 WeakPolarHBondContact O-CB 3.4Å; Y555-K559 PolarHBondContact O-N 3.47Å; K556-K559 PolarHBondContact O-N 2.93Å; M557-K559 PolarHBondContact O-N 2.93Å; K559-H562 PolarHBondContact O-N 2.91Å; K559-Q563 PolarHBondContact O-N 3.4Å; K559-Q563 VanDerWaalsContact O-N 3.1Å
560	Q	68.5	Low	64.9	Low	123 Å²	123	134.7 Å²	134.7	58%	0.575	65%	0.648	S	S	*	*	H	α-helix	trans	-67.3	-40.4	179	-167.6	169.6	5.2	0	0	112	K556 M557 H562 Q563 Q564	K556-Q560 WeakPolarHBondContact O-CB 3.47Å; K556-Q560 PolarHBondContact O-N 3.38Å; M557-Q560 PolarHBondContact O-N 3.24Å; Q560-H562 VanDerWaalsContact C-N 3.3Å; Q560-H562 PolarHBondContact O-N 3.26Å; Q560-Q563 PolarHBondContact O-N 3.29Å; Q560-Q564 PolarHBondContact O-N 3.01Å
561	H	62.6	Low	62.4	Low	124 Å²	124	141 Å²	141	57%	0.574	66%	0.664	S	S	*	*	H	α-helix	trans	-61.7	-37.1	171.2	-169.9	-52	0	0	0	111.9	M557 Q563 Q564	M557-H561 WeakPolarHBondContact O-CB 3.35Å; M557-H561 PolarHBondContact O-N 2.91Å; H561-Q563 VanDerWaalsContact C-N 3.35Å; H561-Q564 PolarHBondContact O-N 2.9Å
562	H	58.8	Low	59.8	Low	129 Å²	129	140.9 Å²	140.9	60%	0.597	67%	0.67	S	S	*	*	H	α-helix	trans	-69.4	-33.2	178.3	-152.5	1	0	0	0	112.4	R558 K559 Q560	R558-H562 PolarHBondContact O-N 3.43Å; R558-H562 VanDerWaalsContact O-N 3.11Å; K559-H562 PolarHBondContact O-N 2.91Å; Q560-H562 VanDerWaalsContact C-N 3.3Å; Q560-H562 PolarHBondContact O-N 3.26Å
563	Q	56.9	Low	57.1	Low	129 Å²	129	143.8 Å²	143.8	60%	0.603	68%	0.684	S	S	*	*	H	α-helix	trans	-72.7	-30.1	176.7	-70.7	-177.1	-66.2	0	0	113.5	K559 Q560 H561 N565 H566	K559-Q563 PolarHBondContact O-N 3.4Å; K559-Q563 VanDerWaalsContact O-N 3.1Å; Q560-Q563 PolarHBondContact O-N 3.29Å; H561-Q563 VanDerWaalsContact C-N 3.35Å; Q563-N565 VanDerWaalsContact C-N 3.31Å; Q563-N565 PolarHBondContact O-N 3.38Å; Q563-H566 PolarHBondContact O-N 3.13Å
564	Q	54.4	Low	54.4	Low	145 Å²	145	148 Å²	148	68%	0.678	70%	0.702	S	S	*	*	H	α-helix	trans	-67.9	-28.8	176.5	-74.5	-174.5	-43.8	0	0	113.1	Q560 H561 H566 H567	Q560-Q564 PolarHBondContact O-N 3.01Å; H561-Q564 PolarHBondContact O-N 2.9Å; Q564-H566 PolarHBondContact O-N 3.43Å; Q564-H567 PolarHBondContact O-N 3.11Å
565	N	49	Very low	51.9	Low	118 Å²	118	147.9 Å²	147.9	63%	0.631	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.5	-6.4	179.9	-77.2	15.9	0	0	0	114.9	Q563	Q563-N565 VanDerWaalsContact C-N 3.31Å; Q563-N565 PolarHBondContact O-N 3.38Å
566	H	46.7	Very low	49.2	Very low	144 Å²	144	147.5 Å²	147.5	67%	0.667	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.1	-0.6	179.1	-79.7	-70.8	0	0	0	114.8	Q563 Q564	Q563-H566 PolarHBondContact O-N 3.13Å; Q564-H566 PolarHBondContact O-N 3.43Å
567	H	43.6	Very low	47.2	Very low	175 Å²	175	146.2 Å²	146.2	81%	0.81	72%	0.715	S	S	*	*			trans	-129.1	67.5	-178.5	-73.9	-10.6	0	0	0	113	Q564	Q564-H567 PolarHBondContact O-N 3.11Å
568	A	34	Very low	45.1	Very low	87 Å²	87	147 Å²	147	72%	0.719	73%	0.726	S	S	*	*			trans	-125.7	121.3	159.6	0	0	0	0	0	108.7
569	P	38	Very low	43	Very low	127 Å²	127	144 Å²	144	83%	0.825	73%	0.725	S	S	*	*			trans	-77.9	133	-176.2	30.3	-33.7	0	0	0	111.5
570	Q	34.5	Very low	41.1	Very low	188 Å²	188	147.3 Å²	147.3	88%	0.879	74%	0.742	S	S	*	*			trans	-64.7	137.2	169.4	-68	174.8	-68.9	0	0	110.2
571	R	34.1	Very low	39.2	Very low	252 Å²	252	149.5 Å²	149.5	95%	0.951	76%	0.758	S	S	*	*			trans	-106.3	113.8	160.6	-82	-173.4	170	-176.9	-3.3	108.7
572	T	32.7	Very low	37.5	Very low	124 Å²	124	149 Å²	149	76%	0.761	77%	0.767	S	S	*	*			trans	-80.3	137.3	175.5	47.6	0	0	0	0	111.2
573	I	30.5	Very low	36	Very low	165 Å²	165	148.5 Å²	148.5	85%	0.846	77%	0.773	S	S	*	*			trans	-131.9	143.9	149	-62.7	-175.2	0	0	0	106.3
574	E	27.6	Very low	34.7	Very low	169 Å²	169	148.5 Å²	148.5	79%	0.79	78%	0.782	S	S	*	*			trans	-76.6	156.3	-157	-62.7	132.2	135.8	0	0	115.4
575	I	29.9	Very low	33.5	Very low	153 Å²	153	145.6 Å²	145.6	79%	0.785	79%	0.791	S	S	*	*			trans	-116.3	133.5	153.4	-64.1	174	0	0	0	106
576	I	30.9	Very low	32.3	Very low	155 Å²	155	143.6 Å²	143.6	80%	0.795	80%	0.798	S	S	*	*			trans	-105.6	119.1	170.9	-61.1	176.5	0	0	0	107.3
577	N	33.8	Very low	32.3	Very low	121 Å²	121	143.4 Å²	143.4	65%	0.647	81%	0.81	S	S	*	*			trans	-84.1	144.5	170.3	-69	12.7	0	0	0	110.5
578	V	29.6	Very low	31.6	Very low	138 Å²	138	139.6 Å²	139.6	84%	0.836	81%	0.808	S	S	*	*			trans	-139.4	149.9	139.3	-174.5	0	0	0	0	106.6
579	D	31.1	Very low	31.4	Very low	138 Å²	138	142.9 Å²	142.9	74%	0.738	81%	0.811	S	S	*	*			trans	-93.6	-157.2	-156.3	-52.5	-86	0	0	0	115.5
580	E	36.6	Very low	30.9	Very low	189 Å²	189	145 Å²	145	88%	0.883	81%	0.81	S	S	*	*			trans	-57.7	152.7	-172.4	-51.9	179	113.1	0	0	115.2
581	D	27.6	Very low	30.6	Very low	170 Å²	170	139.6 Å²	139.6	91%	0.909	80%	0.804	S	S	*	*				-155.5	171.9	123.1	-134.8	-35.6	0	0	0	112.4
582	C	26.4	Very low	30.4	Very low	112 Å²	112	136.7 Å²	136.7	76%	0.757	80%	0.801	S	S	*	*			trans	-110.9	-173.3	-161.1	-166.4	0	0	0	0	114.9
583	V	28.4	Very low	30.3	Very low	120 Å²	120	138.2 Å²	138.2	73%	0.727	80%	0.804	S	S	*	*			trans	92.6	103	158.7	-172.8	0	0	0	0	119.8
584	T	29.8	Very low	30.2	Very low	129 Å²	129	136.7 Å²	136.7	79%	0.791	80%	0.802	S	S	*	*			trans	34.2	116.7	145.5	67.4	0	0	0	0	123.5
585	G	28.2	Very low	30.2	Very low	83 Å²	83	136.6 Å²	136.6	86%	0.856	81%	0.806	S	S	*	*				79.3	63.3	96.9	0	0	0	0	0	123.5
586	G	25.4	Very low	31.4	Very low	76 Å²	76	134.6 Å²	134.6	78%	0.784	80%	0.803	S	S	*	*			trans	71.2	-172.6	152.4	0	0	0	0	0	118.1
587	P	46	Very low	32.1	Very low	141 Å²	141	132.3 Å²	132.3	92%	0.916	80%	0.798	S	S	*	*			cis	-118.5	-148.4	-4.5	42.2	-27.3	0	0	0	113.1
588	A	29.3	Very low	31.9	Very low	95 Å²	95	133.9 Å²	133.9	79%	0.785	81%	0.806	S	S	*	*			trans	-114.2	161	-166.2	0	0	0	0	0	116
589	M	28.2	Very low	32	Very low	156 Å²	156	135 Å²	135	77%	0.768	80%	0.802	S	S	*	*			trans	-174	137.4	143.2	-105.5	-178.1	166.4	0	0	110.4
590	E	28.6	Very low	32	Very low	172 Å²	172	135.9 Å²	135.9	80%	0.804	80%	0.801	S	S	*	*				58.9	141	97.2	-63.3	-177.6	-175.3	0	0	116.1
591	G	28.7	Very low	31.9	Very low	73 Å²	73	133.5 Å²	133.5	75%	0.753	79%	0.79	S	S	*	*			cis	-135.4	-148.6	-0.1	0	0	0	0	0	111.9
592	H	28.4	Very low	32.2	Very low	192 Å²	192	133.1 Å²	133.1	89%	0.889	78%	0.782	S	S	*	*			cis	-157.5	157.3	11.7	-156	-79.5	0	0	0	111
593	L	32.2	Very low	32.7	Very low	156 Å²	156	133.9 Å²	133.9	82%	0.817	78%	0.778	S	S	*	*			trans	-93.8	151.4	-177.9	-70.7	125.1	0	0	0	114.4
594	T	27.6	Very low	32.6	Very low	132 Å²	132	136 Å²	136	81%	0.81	79%	0.785	S	S	*	*			trans	-152.1	94.4	152.3	49.5	0	0	0	0	114.9
595	L	27.3	Very low	32.8	Very low	168 Å²	168	135.6 Å²	135.6	88%	0.88	77%	0.774	S	S	*	*			trans	63	161.3	134.5	-64.1	171.9	0	0	0	123.7
596	P	54.5	Low	32.7	Very low	111 Å²	111	142.1 Å²	142.1	72%	0.721	78%	0.775	S	S	*	*			trans	-115.8	-155.8	-163.3	42.3	-24.7	0	0	0	112.3
597	P	46.6	Very low	33	Very low	107 Å²	107	143.7 Å²	143.7	70%	0.695	77%	0.765	S	S	*	*			cis	-148.3	-166.5	7.6	45.1	-23.1	0	0	0	119.5
598	L	30.6	Very low	32.1	Very low	154 Å²	154	141.6 Å²	141.6	81%	0.806	75%	0.75	S	S	*	*			trans	97.9	149.5	151.5	-80.6	166.9	0	0	0	122
599	E	30.4	Very low	32	Very low	161 Å²	161	147.5 Å²	147.5	75%	0.752	75%	0.754	S	S	*	*			trans	-113	170.8	-154.2	-53.5	155.4	107.9	0	0	114.5
600	H	32.1	Very low	32	Very low	156 Å²	156	149.1 Å²	149.1	72%	0.722	76%	0.756	S	S	*	*				-178.7	127.5	128.3	-98.5	53.6	0	0	0	108.8
601	E	34	Very low	31.9	Very low	140 Å²	140	148.1 Å²	148.1	65%	0.654	76%	0.762	S	S	*	*				73.9	154.8	82.4	-79.1	-121.4	78.3	0	0	115.1
602	H	34.7	Very low	32	Very low	161 Å²	161	148.8 Å²	148.8	75%	0.745	76%	0.761	S	S	*	*			cis	-118	-144.4	6	-68.5	-69.1	0	0	0	113.3
603	L	36.5	Very low	31.8	Very low	128 Å²	128	150.9 Å²	150.9	67%	0.67	76%	0.762	S	S	*	*			trans	-159.4	151.4	-151.7	173.6	152.2	0	0	0	114	H605	L603-H605 HydrophobicContact CD2-CB 3.79Å; L603-H605 WeakPolarHBondContact CD2-ND1 3.23Å
604	N	26.6	Very low	31.5	Very low	164 Å²	164	150.4 Å²	150.4	88%	0.877	76%	0.761	S	S	*	*			trans	-155.4	116.5	166.7	-96.8	-30.7	0	0	0	108.9
605	H	32.4	Very low	31.5	Very low	121 Å²	121	152.2 Å²	152.2	56%	0.56	76%	0.76	S	S	*	*			cis	97.8	104.1	19.1	-139.8	93.3	0	0	0	115.7	L603 N607	L603-H605 HydrophobicContact CD2-CB 3.79Å; L603-H605 WeakPolarHBondContact CD2-ND1 3.23Å; H605-N607 PolarHBondContact NE2-ND2 3.32Å; H605-N607 VanDerWaalsContact NE2-ND2 3.17Å
606	Y	26.3	Very low	31.5	Very low	221 Å²	221	149.8 Å²	149.8	87%	0.867	75%	0.752	S	S	*	*				-163.3	167.3	122.3	-121.9	-90.3	0	0	0	112.8
607	N	31.4	Very low	30.1	Very low	108 Å²	108	149 Å²	149	58%	0.578	75%	0.749	S	S	*	*			trans	-115.2	-179.9	-161.8	-80.6	-74.7	0	0	0	113.3	H605	H605-N607 PolarHBondContact NE2-ND2 3.32Å; H605-N607 VanDerWaalsContact NE2-ND2 3.17Å
608	T	28.2	Very low	29.2	Very low	98 Å²	98	149.7 Å²	149.7	60%	0.601	75%	0.751	S	S	*	*			cis	177.9	173	-32.7	-74.4	0	0	0	0	107.1
609	Y	27.9	Very low	29.1	Very low	218 Å²	218	149 Å²	149	86%	0.855	75%	0.747	S	S	*	*			trans	115.5	168.4	158.3	-71.6	-77.6	0	0	0	120.2
610	K	28.1	Very low	28.9	Very low	190 Å²	190	148.3 Å²	148.3	83%	0.826	75%	0.748	S	S	*	*			trans	-162.5	127.6	-136.1	167.1	-162	179.6	-175.7	0	111.8
611	T	25.8	Very low	28.6	Very low	151 Å²	151	146.4 Å²	146.4	93%	0.926	75%	0.753	S	S	*	*			trans	-165.7	167.5	157.6	14.4	0	0	0	0	111.2
612	A	29.5	Very low	28.4	Very low	88 Å²	88	147.9 Å²	147.9	73%	0.727	76%	0.763	S	S	*	*			trans	-127.3	155.3	179.6	0	0	0	0	0	111.9
613	Y	25.7	Very low	28.1	Very low	235 Å²	235	148.9 Å²	148.9	92%	0.922	77%	0.768	S	S	*	*			trans	-160.4	168.3	157.8	-118.7	-80.8	0	0	0	111.9
614	N	25.5	Very low	27.7	Very low	147 Å²	147	147.9 Å²	147.9	79%	0.786	77%	0.771	S	S	*	*			trans	-92.7	178.5	-174.1	-81.1	-27.4	0	0	0	114.7
615	H	28.3	Very low	27.7	Very low	169 Å²	169	145.5 Å²	145.5	78%	0.782	77%	0.768	S	S	*	*			trans	97.6	101.1	156.6	-90.9	-95.7	0	0	0	121.2
616	V	25.7	Very low	27.6	Very low	117 Å²	117	144.5 Å²	144.5	71%	0.709	78%	0.78	S	S	*	*				72.5	140.9	118.4	166.3	0	0	0	0	121.7
617	S	26.8	Very low	27.7	Very low	94 Å²	94	143.3 Å²	143.3	66%	0.657	78%	0.782	S	S	*	*			trans	87.5	108.1	156.5	67.4	0	0	0	0	120.7
618	T	26.8	Very low	27.6	Very low	122 Å²	122	147 Å²	147	75%	0.748	80%	0.796	S	S	*	*				42.8	141.3	123.8	61.3	0	0	0	0	120.8
619	I	28.9	Very low	27.9	Very low	139 Å²	139	147.8 Å²	147.8	71%	0.713	80%	0.803	S	S	*	*			cis	-163.2	161.4	11.2	-126.9	164.7	0	0	0	111.8
620	N	26	Very low	27.9	Very low	148 Å²	148	145.9 Å²	145.9	79%	0.791	81%	0.806	S	S	*	*			trans	49.8	116.5	164.9	-67.4	-7.2	0	0	0	120.5
621	S	25.7	Very low	27.7	Very low	116 Å²	116	145 Å²	145	81%	0.811	81%	0.81	S	S	*	*				-162.7	150.2	103	61.2	0	0	0	0	114
622	I	29.4	Very low	27.8	Very low	171 Å²	171	145.7 Å²	145.7	88%	0.877	81%	0.806	S	S	*	*			trans	-42.6	133.3	178.2	-62	154.7	0	0	0	113.4
623	H	27.9	Very low	27.5	Very low	182 Å²	182	153.2 Å²	153.2	84%	0.843	82%	0.816	S	S	*	*			trans	-116	130.1	169.2	-130.2	-73.3	0	0	0	112
624	S	28.2	Very low	27.5	Very low	106 Å²	106	146.8 Å²	146.8	74%	0.741	81%	0.811	S	S	*	*			trans	-87.6	150.9	167.2	50.5	0	0	0	0	110.7
625	S	27.9	Very low	27.6	Very low	114 Å²	114	145.2 Å²	145.2	80%	0.797	81%	0.812	S	S	*	*			trans	-112.7	109.7	168.4	55.4	0	0	0	0	109.8
626	A	29.3	Very low	27.6	Very low	100 Å²	100	142.5 Å²	142.5	83%	0.826	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-79.7	145.1	172.9	0	0	0	0	0	110.7
627	H	29.2	Very low	27.8	Very low	196 Å²	196	146.6 Å²	146.6	91%	0.907	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-83.5	134.4	169.2	-83.5	-85.2	0	0	0	110.7
628	E	29.4	Very low	27.9	Very low	187 Å²	187	149.1 Å²	149.1	87%	0.874	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-100.8	133.8	174.1	-165.9	167.9	-136.1	0	0	110.1
629	P	33.2	Very low	28	Very low	114 Å²	114	151.1 Å²	151.1	74%	0.74	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-89.9	126.3	-171.7	33.1	-33.5	0	0	0	113.2
630	L	28.8	Very low	28	Very low	177 Å²	177	151 Å²	151	93%	0.927	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-79.5	124.8	172.4	-78.5	166.9	0	0	0	111.8
631	L	24.5	Very low	28.2	Very low	172 Å²	172	152.9 Å²	152.9	90%	0.901	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-76.4	124.5	174	-78.1	116.4	0	0	0	111.7
632	I	26.6	Very low	28.2	Very low	166 Å²	166	155.4 Å²	155.4	85%	0.851	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-83.4	125.6	168	-63.8	173.2	0	0	0	109.1
633	R	24.2	Very low	28.1	Very low	245 Å²	245	154 Å²	154	93%	0.925	84%	0.841	S	S	*	*			trans	-97.6	101.7	-178.4	-158	179.1	-164.7	174.5	4.2	109.6
634	A	25.6	Very low	28.2	Very low	100 Å²	100	153.5 Å²	153.5	83%	0.826	84%	0.839	S	S	*	*			trans	-73.9	130.2	179.5	0	0	0	0	0	111.7
635	S	26.2	Very low	28.4	Very low	115 Å²	115	160.2 Å²	160.2	80%	0.804	86%	0.864	S	S	*	*			trans	-108.1	109.1	172.3	57.2	0	0	0	0	110.5
636	S	29	Very low	28.4	Very low	111 Å²	111	162.6 Å²	162.6	78%	0.776	87%	0.867	S	S	*	*			trans	-76.4	122.3	175.6	53.7	0	0	0	0	111.6
637	K	29.6	Very low	28.4	Very low	204 Å²	204	165.8 Å²	165.8	89%	0.887	87%	0.869	S	S	*	*			trans	-148.3	93	158.5	-114.6	-172.8	178.3	-174.4	0	109.2
638	D	30.1	Very low	28.3	Very low	147 Å²	147	164.2 Å²	164.2	79%	0.786	87%	0.867	S	S	*	*			trans	-69.7	128.2	171.1	-57.8	-71.5	0	0	0	109.7
639	N	28.7	Very low	28.3	Very low	164 Å²	164	162.8 Å²	162.8	88%	0.877	87%	0.866	S	S	*	*			trans	-121.7	111.3	160.2	-94	-8.3	0	0	0	107
640	V	28.9	Very low	28	Very low	136 Å²	136	165.9 Å²	165.9	82%	0.824	87%	0.874	S	S	*	*			trans	-76	135.8	171.6	177.9	0	0	0	0	108.2
641	Q	29	Very low	27.9	Very low	188 Å²	188	165.1 Å²	165.1	88%	0.879	87%	0.871	S	S	*	*			trans	-127.8	122.6	168.1	-151.8	169.7	10.4	0	0	109.2
642	E	27	Very low	28.1	Very low	169 Å²	169	164.6 Å²	164.6	79%	0.79	87%	0.869	S	S	*	*	P	Polyproline II helix	trans	-79.7	131.4	-179.7	-62.2	179.7	115.6	0	0	110.5
643	T	26.7	Very low	28.3	Very low	142 Å²	142	164.5 Å²	164.5	87%	0.871	87%	0.87	S	S	*	*	P	Polyproline II helix	trans	-87.1	121	164.4	50.8	0	0	0	0	109.5
644	Q	29.4	Very low	28.6	Very low	171 Å²	171	157.8 Å²	157.8	80%	0.799	87%	0.866	S	S	*	*	P	Polyproline II helix	trans	-97.3	152.2	166.3	-69	-167.8	2.6	0	0	110.9
645	I	33.1	Very low	28.9	Very low	247 Å²	247	163.1 Å²	163.1	100%	1.267	87%	0.869	S	S	*	*			trans	77.1	0	-174.4	-49	-179.6	0	0	0	112.7

Retrieved 645 of 645 residues in 633.2 ms (Link to these results)

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