A0A077ZC52_TRITR Loading...

4 hydroxybutyrate coenzyme A transferase

AlphaFold DB , UniProt , Accession A0A077ZC52, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 463 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	41.5	Very low	39.9	Very low	226 Å²	226	144.4 Å²	144.4	100%	1.113	75%	0.75	S	S	*	*				0	-13.3	0	-97.5	176.4	173.1	0	0	115
2	S	45.4	Very low	40	Very low	101 Å²	101	141.2 Å²	141.2	71%	0.706	75%	0.747	S	S	*	*			trans	-83.4	-9.5	-171.4	68.6	0	0	0	0	117.1
3	L	40.3	Very low	39.9	Very low	152 Å²	152	138.5 Å²	138.5	80%	0.796	73%	0.734	S	S	*	*	S	Bend	trans	-93.3	-21.8	179.1	-96.5	130.4	0	0	0	114.5	L5	L3-L5 PolarHBondContact O-N 3.34Å
4	A	42.1	Very low	40	Very low	86 Å²	86	137.6 Å²	137.6	71%	0.711	73%	0.728	S	S	*	*	G	3₁₀ helix	trans	-76.1	-23.5	-176.7	0	0	0	0	0	113.6
5	L	39.7	Very low	40.3	Very low	141 Å²	141	134.5 Å²	134.5	74%	0.738	72%	0.722	S	S	*	*	G	3₁₀ helix	trans	-85.4	-13.2	-175.6	-80.4	157.1	0	0	0	114.5	L3	L3-L5 PolarHBondContact O-N 3.34Å
6	R	39.8	Very low	40.4	Very low	212 Å²	212	138.6 Å²	138.6	80%	0.8	72%	0.724	S	S	*	*	G	3₁₀ helix	trans	-82.3	-13.4	-179	-72.5	-169.8	-177.1	-142	1.1	114.7
7	N	38	Very low	41	Very low	119 Å²	119	134.8 Å²	134.8	64%	0.636	70%	0.704	S	S	*	*	G	3₁₀ helix	trans	-99	-1.9	178.5	-75.8	-17.1	0	0	0	114.1	S9 R10	N7-S9 PolarHBondContact O-N 3.14Å; N7-R10 PolarHBondContact O-N 3.43Å
8	A	37.2	Very low	41.4	Very low	54 Å²	54	136.4 Å²	136.4	45%	0.446	71%	0.712	S	S	.	*	G	3₁₀ helix	trans	-67.9	-20.8	177.7	0	0	0	0	0	113	R10 F11	A8-R10 VanDerWaalsContact C-N 3.26Å; A8-R10 PolarHBondContact O-N 2.75Å; A8-F11 WeakPolarHBondContact O-CB 3.42Å; A8-F11 PolarHBondContact O-N 3.44Å
9	S	38.7	Very low	42.1	Very low	102 Å²	102	131.6 Å²	131.6	71%	0.713	70%	0.695	S	S	*	*	G	3₁₀ helix	trans	-77.6	-3.3	-179.6	60.2	0	0	0	0	114.9	N7	N7-S9 PolarHBondContact O-N 3.14Å
10	R	37.9	Very low	42.8	Very low	230 Å²	230	129.9 Å²	129.9	87%	0.868	69%	0.694	S	S	*	*	G	3₁₀ helix	trans	-93.2	-4.4	168.9	-76.3	-171.8	177.1	-170.6	-0	113.5	N7 A8 C12	N7-R10 PolarHBondContact O-N 3.43Å; A8-R10 VanDerWaalsContact C-N 3.26Å; A8-R10 PolarHBondContact O-N 2.75Å; R10-C12 PolarHBondContact O-N 2.84Å
11	F	38.7	Very low	43.7	Very low	165 Å²	165	127.4 Å²	127.4	72%	0.724	69%	0.685	S	S	*	*	S	Bend	trans	-75.8	112.9	175.4	-76.7	-95.8	0	0	0	109.9	A8	A8-F11 WeakPolarHBondContact O-CB 3.42Å; A8-F11 PolarHBondContact O-N 3.44Å
12	C	41.2	Very low	44.9	Very low	106 Å²	106	123 Å²	123	72%	0.716	66%	0.66	S	S	*	*			trans	33.2	86.7	161.9	-82.3	0	0	0	0	115.9	R10 L14	R10-C12 PolarHBondContact O-N 2.84Å; C12-L14 HydrophobicContact CB-CD1 4.08Å; C12-L14 PolarHBondContact O-N 3.32Å
13	N	38.3	Very low	46.4	Very low	107 Å²	107	120 Å²	120	57%	0.572	64%	0.635	S	S	*	*			trans	-62.1	77.2	156.3	-91.5	-35.4	0	0	0	109.6	S15 R16	N13-S15 PolarHBondContact O-N 3.11Å; N13-R16 HydrophobicContact CB-CG 4.43Å; N13-R16 PolarHBondContact O-N 2.8Å; N13-R16 VanDerWaalsContact O-N 3.14Å
14	L	41.7	Very low	48.4	Very low	125 Å²	125	119.2 Å²	119.2	65%	0.654	64%	0.642	S	S	*	*	G	3₁₀ helix	trans	-58.3	-23.8	168.3	-98.6	111.6	0	0	0	111.1	C12 R16 I17	C12-L14 HydrophobicContact CB-CD1 4.08Å; C12-L14 PolarHBondContact O-N 3.32Å; L14-R16 PolarHBondContact O-N 3.34Å; L14-I17 HydrophobicContact CB-CD1 4.4Å; L14-I17 HydrophobicContact CD2-CD1 4.25Å; L14-I17 HydrophobicContact CG-CD1 3.93Å; L14-I17 VanDerWaalsContact O-CB 3.26Å; L14-I17 WeakPolarHBondContact O-CB 3.29Å; L14-I17 WeakPolarHBondContact O-CG1 3.46Å; L14-I17 PolarHBondContact O-N 3.3Å
15	S	43.7	Very low	50.5	Low	91 Å²	91	117.6 Å²	117.6	64%	0.636	62%	0.618	S	S	*	*	G	3₁₀ helix	trans	-63.7	-24.2	175.8	57.8	0	0	0	0	113.9	N13 I17	N13-S15 PolarHBondContact O-N 3.11Å; S15-I17 VanDerWaalsContact C-N 3.26Å; S15-I17 PolarHBondContact O-N 2.87Å
16	R	42.8	Very low	52.8	Low	201 Å²	201	113.7 Å²	113.7	76%	0.758	60%	0.602	S	S	*	*	G	3₁₀ helix	trans	-75.6	-12.8	171.9	-81.1	-171.4	177.1	-172.7	-1.6	113.4	N13 L14 L18 A19	N13-R16 HydrophobicContact CB-CG 4.43Å; N13-R16 PolarHBondContact O-N 2.8Å; N13-R16 VanDerWaalsContact O-N 3.14Å; L14-R16 PolarHBondContact O-N 3.34Å; R16-L18 VanDerWaalsContact C-N 3.32Å; R16-A19 PolarHBondContact O-N 3.37Å
17	I	49.3	Very low	55.3	Low	73 Å²	73	105.9 Å²	105.9	37%	0.374	58%	0.579	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.7	-25.4	-176.9	-57.9	178	0	0	0	111.2	L14 S15 A19 R142	L14-I17 HydrophobicContact CB-CD1 4.4Å; L14-I17 HydrophobicContact CD2-CD1 4.25Å; L14-I17 HydrophobicContact CG-CD1 3.93Å; L14-I17 VanDerWaalsContact O-CB 3.26Å; L14-I17 WeakPolarHBondContact O-CB 3.29Å; L14-I17 WeakPolarHBondContact O-CG1 3.46Å; L14-I17 PolarHBondContact O-N 3.3Å; S15-I17 VanDerWaalsContact C-N 3.26Å; S15-I17 PolarHBondContact O-N 2.87Å; I17-A19 PolarHBondContact O-N 3.49Å; I17-R142 HydrophobicContact CG2-CG 4.07Å
18	L	49.7	Very low	58	Low	164 Å²	164	102.9 Å²	102.9	86%	0.859	56%	0.561	S	S	*	*	S	Bend	trans	-83.8	55	166.9	-63.2	174.3	0	0	0	110.1	R16 S20	R16-L18 VanDerWaalsContact C-N 3.32Å; L18-S20 PolarHBondContact O-N 2.9Å
19	A	54.1	Low	60.8	Low	46 Å²	46	100.4 Å²	100.4	38%	0.38	54%	0.54	S	S	.	.	P	Polyproline II helix	trans	-60.8	125.8	172.4	0	0	0	0	0	108.5	R16 I17 K143	R16-A19 PolarHBondContact O-N 3.37Å; I17-A19 PolarHBondContact O-N 3.49Å; A19-K143 HydrophobicContact CB-CD 3.73Å; A19-K143 VanDerWaalsContact CB-NZ 3.33Å; A19-K143 PolarHBondContact O-NZ 2.77Å
20	S	56.9	Low	63.6	Low	96 Å²	96	99.3 Å²	99.3	67%	0.671	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-47.3	139.1	176.7	57.6	0	0	0	0	110.6	L18 F22 K143	L18-S20 PolarHBondContact O-N 2.9Å; S20-F22 PolarHBondContact O-N 3.18Å; S20-K143 PolarHBondContact O-NZ 2.87Å
21	P	61.2	Low	66.4	Low	79 Å²	79	93.5 Å²	93.5	51%	0.513	51%	0.506	S	S	.	.	P	Polyproline II helix	trans	-57.4	141.8	174.1	24.8	-31.8	0	0	0	108.9
22	F	67.1	Low	69.1	Low	133 Å²	133	88.1 Å²	88.1	58%	0.583	49%	0.487	S	S	*	.	S	Bend	trans	-65.2	-36.5	177	176.1	-96.7	0	0	0	110.6	S20 K180	S20-F22 PolarHBondContact O-N 3.18Å; F22-K180 HydrophobicContact CB-CG 4.42Å; F22-K180 HydrophobicContact CD1-CB 3.91Å; F22-K180 HydrophobicContact CD1-CD 4.47Å; F22-K180 HydrophobicContact CD1-CG 3.8Å; F22-K180 HydrophobicContact CD2-CD 3.91Å; F22-K180 HydrophobicContact CD2-CG 3.97Å; F22-K180 HydrophobicContact CE1-CB 3.76Å; F22-K180 HydrophobicContact CE1-CD 4.36Å; F22-K180 HydrophobicContact CE1-CG 3.98Å; F22-K180 HydrophobicContact CE2-CD 3.78Å; F22-K180 HydrophobicContact CE2-CG 4.15Å; F22-K180 HydrophobicContact CG-CB 4.41Å; F22-K180 HydrophobicContact CG-CD 4.26Å; F22-K180 HydrophobicContact CG-CG 3.79Å; F22-K180 HydrophobicContact CZ-CB 4.14Å; F22-K180 HydrophobicContact CZ-CD 4.02Å; F22-K180 HydrophobicContact CZ-CG 4.15Å
23	H	76.7	Confident	71.7	Confident	39 Å²	39	84.3 Å²	84.3	18%	0.181	46%	0.46	C	S	.	.	S	Bend	trans	-88.4	149.1	177.8	-58.5	-61.1	0	0	0	111.2	Y25 A179 K180	H23-Y25 HydrophobicContact CB-CD1 3.9Å; H23-Y25 HydrophobicContact CB-CD2 3.79Å; H23-Y25 HydrophobicContact CB-CE1 3.65Å; H23-Y25 HydrophobicContact CB-CE2 3.49Å; H23-Y25 VanDerWaalsContact CB-CE2 3.49Å; H23-Y25 HydrophobicContact CB-CG 3.98Å; H23-Y25 VanDerWaalsContact CB-CZ 3.43Å; H23-Y25 AromaticContact CD2-CE2 3.75Å; H23-Y25 AromaticContact CD2-CZ 3.69Å; H23-Y25 PolarHBondContact CD2-OH 2.99Å; H23-Y25 AromaticContact CE1-CZ 3.95Å; H23-Y25 PolarHBondContact CE1-OH 3.37Å; H23-Y25 AromaticContact CG-CE1 3.79Å; H23-Y25 AromaticContact CG-CE2 3.56Å; H23-Y25 AromaticContact CG-CZ 3.23Å; H23-Y25 AromaticContact ND1-CE1 3.8Å; H23-Y25 AromaticContact ND1-CZ 3.46Å; H23-Y25 PolarHBondContact ND1-OH 3.45Å; H23-Y25 PolarHBondContact NE2-OH 2.9Å; H23-Y25 PolarHBondContact O-N 2.94Å; H23-A179 PolarHBondContact NE2-O 3.05Å; H23-K180 PolarHBondContact CE1-O 2.92Å; H23-K180 VanDerWaalsContact CE1-O 3.29Å
24	S	81.9	Confident	74.3	Confident	135 Å²	135	86 Å²	86	94%	0.944	47%	0.474	S	S	*	.	S	Bend	trans	-75.9	-7	172.3	56.2	0	0	0	0	113.4
25	Y	86	Confident	76.7	Confident	52 Å²	52	84.1 Å²	84.1	20%	0.204	49%	0.485	C	S	.	.	S	Bend	trans	-107.1	167.7	178.1	56.9	-107	0	0	0	111.4	H23 I33 R36	H23-Y25 HydrophobicContact CB-CD1 3.9Å; H23-Y25 HydrophobicContact CB-CD2 3.79Å; H23-Y25 HydrophobicContact CB-CE1 3.65Å; H23-Y25 HydrophobicContact CB-CE2 3.49Å; H23-Y25 VanDerWaalsContact CB-CE2 3.49Å; H23-Y25 HydrophobicContact CB-CG 3.98Å; H23-Y25 VanDerWaalsContact CB-CZ 3.43Å; H23-Y25 AromaticContact CD2-CE2 3.75Å; H23-Y25 AromaticContact CD2-CZ 3.69Å; H23-Y25 PolarHBondContact CD2-OH 2.99Å; H23-Y25 AromaticContact CE1-CZ 3.95Å; H23-Y25 PolarHBondContact CE1-OH 3.37Å; H23-Y25 AromaticContact CG-CE1 3.79Å; H23-Y25 AromaticContact CG-CE2 3.56Å; H23-Y25 AromaticContact CG-CZ 3.23Å; H23-Y25 AromaticContact ND1-CE1 3.8Å; H23-Y25 AromaticContact ND1-CZ 3.46Å; H23-Y25 PolarHBondContact ND1-OH 3.45Å; H23-Y25 PolarHBondContact NE2-OH 2.9Å; H23-Y25 PolarHBondContact O-N 2.94Å; Y25-I33 HydrophobicContact CD1-CD1 4.09Å; Y25-I33 HydrophobicContact CD1-CG2 4.21Å; Y25-I33 HydrophobicContact CD2-CD1 3.36Å; Y25-I33 HydrophobicContact CD2-CG1 3.79Å; Y25-I33 HydrophobicContact CE1-CD1 3.96Å; Y25-I33 HydrophobicContact CE2-CD1 3.25Å; Y25-I33 HydrophobicContact CE2-CG1 4.2Å; Y25-I33 HydrophobicContact CG-CD1 3.81Å; Y25-I33 HydrophobicContact CG-CG1 3.98Å; Y25-I33 HydrophobicContact CG-CG2 4.29Å; Y25-R36 VanDerWaalsContact CZ-NH1 3.35Å; Y25-R36 PolarHBondContact OH-NH1 3.39Å
26	S	88.6	Confident	79.2	Confident	58 Å²	58	82.4 Å²	82.4	41%	0.406	46%	0.464	S	S	.	.			trans	-61.6	129.5	179	-178.6	0	0	0	0	111.7	E28 H203	S26-E28 PolarHBondContact O-N 2.91Å; S26-E28 WeakPolarHBondContact OG-CB 3.25Å; S26-E28 PolarHBondContact OG-N 3.15Å; S26-H203 PolarHBondContact O-CE1 2.59Å
27	P	90.9	Very high	81.8	Confident	49 Å²	49	81 Å²	81	32%	0.318	46%	0.464	S	S	.	.			trans	-73.3	0.5	174.1	31.4	-35.4	0	0	0	113.5	P29 Q177	P27-P29 WeakPolarHBondContact O-CD 3.18Å; P27-Q177 VanDerWaalsContact CB-O 3.25Å; P27-Q177 WeakPolarHBondContact CB-O 3.35Å
28	E	95.9	Very high	84.1	Confident	55 Å²	55	78.4 Å²	78.4	26%	0.257	45%	0.451	S	S	.	.			trans	-70.4	114.1	179.7	177.9	47.5	-124.7	0	0	111	S26 F30 Q31 R173 H203	S26-E28 PolarHBondContact O-N 2.91Å; S26-E28 WeakPolarHBondContact OG-CB 3.25Å; S26-E28 PolarHBondContact OG-N 3.15Å; E28-F30 HydrophobicContact CG-CB 4.14Å; E28-F30 PolarHBondContact O-N 3.04Å; E28-F30 WeakPolarHBondContact OE1-CB 3.28Å; E28-F30 PolarHBondContact OE1-N 3.17Å; E28-Q31 HydrophobicContact CB-CB 4.37Å; E28-Q31 PolarHBondContact O-N 3.31Å; E28-R173 VanDerWaalsContact CD-NH2 3.3Å; E28-R173 IonicContact OE1-CZ 3.72Å; E28-R173 IonicContact OE1-NH1 3.14Å; E28-R173 IonicContact OE1-NH2 3.84Å; E28-R173 PolarHBondContact OE1-NH2 2.87Å; E28-R173 IonicContact OE2-NH2 2.79Å; E28-R173 PolarHBondContact OE2-NH2 2.9Å; E28-H203 PolarHBondContact O-CE1 3.4Å; E28-H203 VanDerWaalsContact O-CE1 3.31Å; E28-H203 PolarHBondContact O-NE2 3.03Å; E28-H203 VanDerWaalsContact O-NE2 3.1Å
29	P	96.4	Very high	86.4	Confident	2 Å²	2	77 Å²	77	1%	0.013	44%	0.441	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-22.5	-176.1	-28.1	39.1	0	0	0	114.1	P27 Q31 V176 Q177 L199 H200	P27-P29 WeakPolarHBondContact O-CD 3.18Å; P29-Q31 VanDerWaalsContact C-N 3.35Å; P29-V176 HydrophobicContact CB-CG1 4.16Å; P29-V176 HydrophobicContact CG-CG1 3.68Å; P29-Q177 HydrophobicContact CG-CG 4.01Å; P29-L199 HydrophobicContact CB-CD1 3.91Å; P29-H200 PolarHBondContact O-N 2.94Å
30	F	96.5	Very high	88.5	Confident	79 Å²	79	79.5 Å²	79.5	35%	0.346	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-22.3	-180	-76	-153.9	0	0	0	112.7	E28 P32 F162 R173 G195 A198	E28-F30 HydrophobicContact CG-CB 4.14Å; E28-F30 PolarHBondContact O-N 3.04Å; E28-F30 WeakPolarHBondContact OE1-CB 3.28Å; E28-F30 PolarHBondContact OE1-N 3.17Å; F30-P32 VanDerWaalsContact O-CD 3.27Å; F30-P32 WeakPolarHBondContact O-CD 3.48Å; F30-F162 WeakPolarHBondContact O-CE1 3.34Å; F30-F162 WeakPolarHBondContact O-CZ 3.16Å; F30-R173 VanDerWaalsContact CE2-NH1 3.32Å; F30-G195 WeakPolarHBondContact CZ-O 3.47Å; F30-A198 HydrophobicContact CD2-CB 3.94Å; F30-A198 VanDerWaalsContact CD2-O 3.27Å; F30-A198 WeakPolarHBondContact CD2-O 3.27Å; F30-A198 HydrophobicContact CE2-CB 3.47Å; F30-A198 VanDerWaalsContact CE2-CB 3.47Å; F30-A198 WeakPolarHBondContact CE2-O 3.39Å; F30-A198 HydrophobicContact CZ-CB 3.84Å
31	Q	96.5	Very high	90.4	Very high	109 Å²	109	75.8 Å²	75.8	51%	0.509	42%	0.42	S	S	.	.	S	Bend	trans	-85.8	114.9	-177.3	176.5	56.6	41	0	0	109.9	E28 P29 I33 H203	E28-Q31 HydrophobicContact CB-CB 4.37Å; E28-Q31 PolarHBondContact O-N 3.31Å; P29-Q31 VanDerWaalsContact C-N 3.35Å; Q31-I33 PolarHBondContact O-N 3.43Å; Q31-H203 PolarHBondContact O-NE2 3.13Å
32	P	96.4	Very high	92.2	Very high	52 Å²	52	74.9 Å²	74.9	34%	0.338	41%	0.413	S	S	.	.			trans	-62.4	132.4	174.3	-23	36.2	0	0	0	111.3	F30 F162	F30-P32 VanDerWaalsContact O-CD 3.27Å; F30-P32 WeakPolarHBondContact O-CD 3.48Å; P32-F162 HydrophobicContact CG-CZ 4.36Å
33	I	95.9	Very high	93.7	Very high	26 Å²	26	69.8 Å²	69.8	13%	0.133	39%	0.393	C	S	.	.			trans	-86.1	115.2	167.3	-54.6	159.1	0	0	0	108.7	Y25 Q31 G35 R36 S202 H203	Y25-I33 HydrophobicContact CD1-CD1 4.09Å; Y25-I33 HydrophobicContact CD1-CG2 4.21Å; Y25-I33 HydrophobicContact CD2-CD1 3.36Å; Y25-I33 HydrophobicContact CD2-CG1 3.79Å; Y25-I33 HydrophobicContact CE1-CD1 3.96Å; Y25-I33 HydrophobicContact CE2-CD1 3.25Å; Y25-I33 HydrophobicContact CE2-CG1 4.2Å; Y25-I33 HydrophobicContact CG-CD1 3.81Å; Y25-I33 HydrophobicContact CG-CG1 3.98Å; Y25-I33 HydrophobicContact CG-CG2 4.29Å; Q31-I33 PolarHBondContact O-N 3.43Å; I33-G35 PolarHBondContact O-N 3.36Å; I33-R36 HydrophobicContact CB-CB 4.5Å; I33-R36 HydrophobicContact CG2-CB 4.19Å; I33-S202 WeakPolarHBondContact CA-OG 3.38Å; I33-S202 WeakPolarHBondContact CB-OG 3.37Å; I33-S202 WeakPolarHBondContact CD1-O 3.48Å; I33-S202 PolarHBondContact N-OG 2.97Å; I33-S202 VanDerWaalsContact O-CB 3.28Å; I33-S202 WeakPolarHBondContact O-CB 3.33Å; I33-S202 PolarHBondContact O-OG 3.49Å; I33-S202 VanDerWaalsContact O-OG 3.12Å; I33-H203 WeakPolarHBondContact CD1-ND1 3.17Å
34	T	92.8	Very high	94.7	Very high	142 Å²	142	73.3 Å²	73.3	87%	0.871	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	132.9	-177.9	-55.5	0	0	0	0	111.8	R36	T34-R36 VanDerWaalsContact C-N 3.26Å; T34-R36 PolarHBondContact O-N 3.05Å
35	G	91.8	Very high	95.5	Very high	86 Å²	86	71.2 Å²	71.2	89%	0.887	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.5	-8.2	172.8	0	0	0	0	0	115.9	I33	I33-G35 PolarHBondContact O-N 3.36Å
36	R	96.1	Very high	96.1	Very high	55 Å²	55	68.8 Å²	68.8	21%	0.208	38%	0.376	C	S	.	.			trans	-94.9	139.3	178.2	-174.2	167.5	170.9	-137.7	14.8	111.7	Y25 I33 T34 S202 D205	Y25-R36 VanDerWaalsContact CZ-NH1 3.35Å; Y25-R36 PolarHBondContact OH-NH1 3.39Å; I33-R36 HydrophobicContact CB-CB 4.5Å; I33-R36 HydrophobicContact CG2-CB 4.19Å; T34-R36 VanDerWaalsContact C-N 3.26Å; T34-R36 PolarHBondContact O-N 3.05Å; R36-S202 WeakPolarHBondContact CD-O 3.48Å; R36-S202 VanDerWaalsContact CG-O 3.25Å; R36-S202 WeakPolarHBondContact CG-O 3.41Å; R36-S202 PolarHBondContact NE-O 2.84Å; R36-S202 PolarHBondContact NH1-O 3.23Å; R36-S202 WeakPolarHBondContact O-CB 3.41Å; R36-D205 IonicContact CZ-OD1 3.72Å; R36-D205 IonicContact NH2-OD1 2.64Å; R36-D205 PolarHBondContact NH2-OD1 2.73Å; R36-D205 IonicContact NH2-OD2 3.21Å; R36-D205 PolarHBondContact NH2-OD2 3.28Å
37	K	96.3	Very high	96.5	Very high	172 Å²	172	66 Å²	66	75%	0.748	36%	0.357	S	S	*	.			trans	-140.5	150	174.7	-68.6	-174.3	178.5	-176.4	0	108.6
38	P	97.9	Very high	96.9	Very high	17 Å²	17	69.6 Å²	69.6	11%	0.11	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-67.8	144.8	177.2	28.7	-33.7	0	0	0	110.7	I204 M207	P38-I204 WeakPolarHBondContact CA-O 3.41Å; P38-I204 HydrophobicContact CB-CB 4.1Å; P38-I204 HydrophobicContact CB-CG2 3.86Å; P38-I204 WeakPolarHBondContact CB-O 3.38Å; P38-M207 HydrophobicContact CB-CB 3.8Å; P38-M207 HydrophobicContact CG-CB 4.12Å; P38-M207 HydrophobicContact CG-CE 4.03Å; P38-M207 HydrophobicContact CG-SD 4.28Å
39	Q	98.2	Very high	96.9	Very high	136 Å²	136	70 Å²	70	64%	0.636	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.4	124.5	167.6	177.9	-178.7	-2.4	0	0	109.3	D205 V206 M207	Q39-D205 PolarHBondContact N-O 3.13Å; Q39-V206 HydrophobicContact CB-CG1 4.32Å; Q39-V206 CarbonylContact O-C 3.55Å; Q39-V206 VanDerWaalsContact O-CA 3.23Å; Q39-V206 WeakPolarHBondContact O-CA 3.27Å; Q39-M207 PolarHBondContact O-N 3.1Å
40	I	98.3	Very high	97	Very high	98 Å²	98	70 Å²	70	50%	0.503	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	130.3	175	-50.7	-52	0	0	0	109.5	M207	I40-M207 VanDerWaalsContact CA-O 3.3Å; I40-M207 WeakPolarHBondContact CA-O 3.44Å; I40-M207 HydrophobicContact CD1-CB 3.83Å; I40-M207 HydrophobicContact CD1-CG 4.19Å; I40-M207 HydrophobicContact CD1-SD 4.34Å
41	C	97.8	Very high	97.1	Very high	17 Å²	17	73 Å²	73	12%	0.115	38%	0.384	C	S	.	.			trans	-153.8	177.3	178.7	68.4	0	0	0	0	113	E45 M207 I208	C41-E45 HydrophobicContact CB-CB 3.9Å; C41-E45 WeakPolarHBondContact CB-OE2 3.43Å; C41-M207 PolarHBondContact N-O 2.94Å; C41-I208 WeakPolarHBondContact O-CG1 3.32Å
42	T	98.2	Very high	97.2	Very high	61 Å²	61	71 Å²	71	37%	0.374	38%	0.382	S	S	.	.			trans	-81.4	158.9	173.4	58	0	0	0	0	112.1	E44 E45 A46	T42-E44 VanDerWaalsContact C-N 3.26Å; T42-E44 PolarHBondContact O-N 3.37Å; T42-E45 PolarHBondContact N-OE2 3.08Å; T42-E45 PolarHBondContact O-N 3.19Å; T42-E45 VanDerWaalsContact O-N 3.1Å; T42-E45 WeakPolarHBondContact OG1-CB 3.4Å; T42-E45 WeakPolarHBondContact OG1-CG 3.15Å; T42-E45 PolarHBondContact OG1-N 3.24Å; T42-E45 PolarHBondContact OG1-OE2 3.27Å; T42-A46 PolarHBondContact O-N 3.32Å
43	P	98.1	Very high	97.2	Very high	25 Å²	25	70.7 Å²	70.7	16%	0.162	39%	0.388	C	S	.	.	H	α-helix	trans	-50.7	-43.8	172.6	-26.6	34.3	0	0	0	113.5	E45 A46 V47 I67 L68 A71 I208	P43-E45 VanDerWaalsContact C-N 3.31Å; P43-E45 PolarHBondContact O-N 3.47Å; P43-A46 PolarHBondContact O-N 3.26Å; P43-V47 WeakPolarHBondContact O-CG1 3.4Å; P43-V47 WeakPolarHBondContact O-CG2 3.37Å; P43-V47 PolarHBondContact O-N 3.4Å; P43-V47 VanDerWaalsContact O-N 3.14Å; P43-I67 HydrophobicContact CG-CD1 4.33Å; P43-L68 HydrophobicContact CB-CD2 4.39Å; P43-A71 HydrophobicContact CB-CB 3.98Å; P43-I208 HydrophobicContact CB-CD1 4.32Å; P43-I208 HydrophobicContact CG-CD1 4.3Å; P43-I208 HydrophobicContact CG-CG2 4.05Å
44	E	98.2	Very high	97.4	Very high	114 Å²	114	70.6 Å²	70.6	53%	0.533	39%	0.388	S	S	.	.	H	α-helix	trans	-67.3	-30.9	-179	-63.1	72.6	-159.2	0	0	112.3	T42 K48	T42-E44 VanDerWaalsContact C-N 3.26Å; T42-E44 PolarHBondContact O-N 3.37Å; E44-K48 WeakPolarHBondContact O-CE 3.47Å; E44-K48 WeakPolarHBondContact O-CG 3.35Å
45	E	98.3	Very high	97.7	Very high	91 Å²	91	64.3 Å²	64.3	43%	0.425	35%	0.35	S	S	.	.	H	α-helix	trans	-76.3	-41.2	173.7	-73.4	166.6	146.5	0	0	112	C41 T42 P43 V47 K48	C41-E45 HydrophobicContact CB-CB 3.9Å; C41-E45 WeakPolarHBondContact CB-OE2 3.43Å; T42-E45 PolarHBondContact N-OE2 3.08Å; T42-E45 PolarHBondContact O-N 3.19Å; T42-E45 VanDerWaalsContact O-N 3.1Å; T42-E45 WeakPolarHBondContact OG1-CB 3.4Å; T42-E45 WeakPolarHBondContact OG1-CG 3.15Å; T42-E45 PolarHBondContact OG1-N 3.24Å; T42-E45 PolarHBondContact OG1-OE2 3.27Å; P43-E45 VanDerWaalsContact C-N 3.31Å; P43-E45 PolarHBondContact O-N 3.47Å; E45-V47 PolarHBondContact O-N 3.15Å; E45-K48 WeakPolarHBondContact O-CB 3.46Å; E45-K48 PolarHBondContact O-N 2.93Å
46	A	98.2	Very high	98	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-59.9	-47.6	180	0	0	0	0	0	111.9	T42 P43 K48 N49 L68 I183 V206 I208	T42-A46 PolarHBondContact O-N 3.32Å; P43-A46 PolarHBondContact O-N 3.26Å; A46-K48 PolarHBondContact O-N 2.85Å; A46-N49 PolarHBondContact O-N 3.11Å; A46-N49 PolarHBondContact O-ND2 3.2Å; A46-L68 HydrophobicContact CB-CD2 4.23Å; A46-I183 HydrophobicContact CB-CD1 4.32Å; A46-I183 HydrophobicContact CB-CG2 3.75Å; A46-V206 HydrophobicContact CB-CG2 3.92Å; A46-I208 HydrophobicContact CB-CD1 3.75Å; A46-I208 HydrophobicContact CB-CG1 4.38Å
47	V	98.4	Very high	98.1	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.006	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-69.5	-13.8	-176.3	-60.3	0	0	0	0	114	P43 E45 N49 V50 L68 A71 L72 H75 M151	P43-V47 WeakPolarHBondContact O-CG1 3.4Å; P43-V47 WeakPolarHBondContact O-CG2 3.37Å; P43-V47 PolarHBondContact O-N 3.4Å; P43-V47 VanDerWaalsContact O-N 3.14Å; E45-V47 PolarHBondContact O-N 3.15Å; V47-N49 PolarHBondContact O-N 3.07Å; V47-N49 VanDerWaalsContact O-N 3.13Å; V47-V50 WeakPolarHBondContact O-CB 3.26Å; V47-V50 PolarHBondContact O-N 3Å; V47-L68 HydrophobicContact CG1-CD2 3.95Å; V47-A71 HydrophobicContact CG1-CB 4.03Å; V47-A71 HydrophobicContact CG2-CB 4.13Å; V47-L72 HydrophobicContact CB-CB 4.47Å; V47-L72 HydrophobicContact CB-CD1 4.47Å; V47-L72 HydrophobicContact CG1-CB 4.08Å; V47-H75 HydrophobicContact CG2-CB 3.71Å; V47-H75 PolarHBondContact O-CD2 2.63Å; V47-M151 HydrophobicContact CG1-CE 4.01Å
48	K	97.9	Very high	98.3	Very high	123 Å²	123	49.5 Å²	49.5	54%	0.535	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-62.5	-16.7	173	-69.9	168.2	-169.1	168.1	0	113.3	E44 E45 A46 V50	E44-K48 WeakPolarHBondContact O-CE 3.47Å; E44-K48 WeakPolarHBondContact O-CG 3.35Å; E45-K48 WeakPolarHBondContact O-CB 3.46Å; E45-K48 PolarHBondContact O-N 2.93Å; A46-K48 PolarHBondContact O-N 2.85Å; K48-V50 VanDerWaalsContact C-N 3.28Å
49	N	96.2	Very high	98.3	Very high	64 Å²	64	48.7 Å²	48.7	34%	0.342	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-77.7	-14.5	175.5	-66.9	-75.4	0	0	0	112.9	A46 V47 F181	A46-N49 PolarHBondContact O-N 3.11Å; A46-N49 PolarHBondContact O-ND2 3.2Å; V47-N49 PolarHBondContact O-N 3.07Å; V47-N49 VanDerWaalsContact O-N 3.13Å; N49-F181 HydrophobicContact CB-CD1 4.01Å; N49-F181 HydrophobicContact CB-CE1 3.61Å; N49-F181 HydrophobicContact CB-CZ 3.9Å
50	V	98.6	Very high	98.1	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.012	23%	0.227	C	C	.	.			trans	-80.3	130.9	175.3	-175.6	0	0	0	0	110	V47 K48 D54 V56 L72 L81 V84 V149 M151	V47-V50 WeakPolarHBondContact O-CB 3.26Å; V47-V50 PolarHBondContact O-N 3Å; K48-V50 VanDerWaalsContact C-N 3.28Å; V50-D54 HydrophobicContact CG1-CB 4.25Å; V50-V56 HydrophobicContact CG1-CG2 3.99Å; V50-L72 HydrophobicContact CB-CD1 3.83Å; V50-L72 HydrophobicContact CG1-CD1 3.8Å; V50-L72 HydrophobicContact CG2-CD1 3.92Å; V50-L81 WeakPolarHBondContact O-CD1 3.43Å; V50-V84 HydrophobicContact CG1-CG1 3.94Å; V50-V84 HydrophobicContact CG1-CG2 4.38Å; V50-V149 HydrophobicContact CG2-CB 4.49Å; V50-V149 HydrophobicContact CG2-CG1 4.26Å; V50-V149 HydrophobicContact CG2-CG2 4.16Å; V50-M151 HydrophobicContact CG2-CE 3.92Å
51	K	98.2	Very high	98	Very high	141 Å²	141	37.6 Å²	37.6	61%	0.613	20%	0.204	S	C	*	.			trans	-119.7	163	-176.7	-56.7	177.2	-170.9	180	0	110.8	G53 D54 V84	K51-G53 PolarHBondContact O-N 2.88Å; K51-D54 PolarHBondContact N-OD2 2.79Å; K51-D54 WeakPolarHBondContact O-CB 3.43Å; K51-D54 PolarHBondContact O-N 3.33Å; K51-V84 WeakPolarHBondContact O-CG2 3.31Å
52	S	98.6	Very high	97.9	Very high	67 Å²	67	36.9 Å²	36.9	47%	0.469	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	132.5	171.4	-66.5	0	0	0	0	111	L81 R82	S52-L81 WeakPolarHBondContact OG-CA 3.49Å; S52-R82 CarbonylContact C-O 3.57Å; S52-R82 WeakPolarHBondContact CA-O 3.25Å; S52-R82 VanDerWaalsContact CB-O 3.27Å; S52-R82 WeakPolarHBondContact CB-O 2.85Å; S52-R82 PolarHBondContact OG-N 3.23Å
53	G	98.3	Very high	98	Very high	46 Å²	46	34 Å²	34	47%	0.474	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	90	-8.3	-179.5	0	0	0	0	0	115.3	K51 R82 G83	K51-G53 PolarHBondContact O-N 2.88Å; G53-R82 PolarHBondContact N-O 3.02Å; G53-G83 WeakPolarHBondContact CA-O 3.36Å
54	D	98.7	Very high	98	Very high	25 Å²	25	33.2 Å²	33.2	13%	0.134	18%	0.176	C	C	.	.			trans	-66.2	141.8	-178.5	-74.1	-4.2	0	0	0	112.2	V50 K51 V56 V84 K85 D148	V50-D54 HydrophobicContact CG1-CB 4.25Å; K51-D54 PolarHBondContact N-OD2 2.79Å; K51-D54 WeakPolarHBondContact O-CB 3.43Å; K51-D54 PolarHBondContact O-N 3.33Å; D54-V56 HydrophobicContact CB-CG2 4.47Å; D54-V84 WeakPolarHBondContact O-CA 3.4Å; D54-K85 PolarHBondContact O-N 2.81Å; D54-D148 HydrophobicContact CB-CB 4.02Å
55	C	98.8	Very high	98	Very high	10 Å²	10	27.9 Å²	27.9	7%	0.068	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	115.7	165.2	-66.6	0	0	0	0	109.4	K85 Y87 P146 D148 V149	C55-K85 CarbonylContact C-O 3.54Å; C55-K85 WeakPolarHBondContact CA-O 3.38Å; C55-Y87 HydrophobicContact CB-CD2 4.43Å; C55-Y87 HydrophobicContact CB-CE2 4.11Å; C55-P146 HydrophobicContact CB-CG 4.33Å; C55-P146 WeakPolarHBondContact CB-O 3.4Å; C55-D148 PolarHBondContact N-OD2 3.04Å; C55-D148 PolarHBondContact O-N 2.84Å; C55-V149 PolarHBondContact O-N 3.47Å
56	V	98.9	Very high	98	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	118.9	-176.7	-173.9	0	0	0	0	109.5	V50 D54 V58 V84 K85 L86 Y87 V149 M151	V50-V56 HydrophobicContact CG1-CG2 3.99Å; D54-V56 HydrophobicContact CB-CG2 4.47Å; V56-V58 HydrophobicContact CG1-CG2 4.26Å; V56-V84 HydrophobicContact CG2-CG1 3.87Å; V56-K85 PolarHBondContact N-O 2.82Å; V56-L86 HydrophobicContact CB-CD2 3.73Å; V56-L86 HydrophobicContact CG1-CD2 4.24Å; V56-L86 HydrophobicContact CG2-CD2 4.13Å; V56-L86 CarbonylContact O-C 3.58Å; V56-L86 VanDerWaalsContact O-CA 3.3Å; V56-L86 WeakPolarHBondContact O-CA 3.42Å; V56-Y87 PolarHBondContact O-N 2.85Å; V56-V149 CarbonylContact C-O 3.52Å; V56-V149 VanDerWaalsContact CA-O 3.24Å; V56-V149 WeakPolarHBondContact CA-O 3.48Å; V56-V149 HydrophobicContact CG1-CB 4.28Å; V56-V149 HydrophobicContact CG1-CG1 4.42Å; V56-V149 HydrophobicContact CG2-CB 4.27Å; V56-M151 HydrophobicContact CG1-CE 4.16Å; V56-M151 HydrophobicContact CG1-CG 4Å; V56-M151 HydrophobicContact CG1-SD 4.05Å
57	Y	98.8	Very high	97.9	Very high	2 Å²	2	27 Å²	27	1%	0.008	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	138.1	165.9	-179.6	-94.6	0	0	0	110.2	Y87 F140 V149 A150 M151 L152 D170 T172 A175	Y57-Y87 WeakPolarHBondContact CA-O 3.45Å; Y57-F140 HydrophobicContact CD2-CE1 4.19Å; Y57-F140 AromaticContact CD2-CE2 3.94Å; Y57-F140 HydrophobicContact CD2-CE2 3.94Å; Y57-F140 AromaticContact CD2-CZ 3.57Å; Y57-F140 HydrophobicContact CD2-CZ 3.57Å; Y57-F140 AromaticContact CE2-CE2 3.88Å; Y57-F140 HydrophobicContact CE2-CE2 3.88Å; Y57-F140 AromaticContact CE2-CZ 3.87Å; Y57-F140 HydrophobicContact CE2-CZ 3.87Å; Y57-V149 PolarHBondContact N-O 3.26Å; Y57-A150 HydrophobicContact CD1-CB 4.48Å; Y57-A150 WeakPolarHBondContact O-CA 3.39Å; Y57-M151 PolarHBondContact O-N 3.39Å; Y57-L152 HydrophobicContact CD1-CD2 4.37Å; Y57-L152 HydrophobicContact CE1-CD2 4.39Å; Y57-D170 PolarHBondContact OH-OD1 2.98Å; Y57-T172 HydrophobicContact CE1-CG2 3.89Å; Y57-T172 VanDerWaalsContact OH-CA 3.31Å; Y57-T172 WeakPolarHBondContact OH-CA 3.32Å; Y57-T172 PolarHBondContact OH-N 3.28Å; Y57-T172 PolarHBondContact OH-OG1 3.44Å; Y57-A175 HydrophobicContact CD1-CB 3.47Å; Y57-A175 VanDerWaalsContact CD1-CB 3.47Å; Y57-A175 HydrophobicContact CD2-CB 3.45Å; Y57-A175 VanDerWaalsContact CD2-CB 3.45Å; Y57-A175 HydrophobicContact CE1-CB 3.86Å; Y57-A175 HydrophobicContact CE2-CB 3.83Å; Y57-A175 HydrophobicContact CG-CB 3.25Å
58	V	98.8	Very high	97.9	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	125.7	179.5	-177.6	0	0	0	0	109.2	V56 G60 P65 L69 L86 Y87 H88 L91	V56-V58 HydrophobicContact CG1-CG2 4.26Å; V58-G60 PolarHBondContact O-N 3.4Å; V58-P65 HydrophobicContact CG1-CG 3.74Å; V58-L69 HydrophobicContact CB-CD2 4.46Å; V58-L69 HydrophobicContact CG1-CD1 3.8Å; V58-L69 HydrophobicContact CG1-CD2 3.8Å; V58-L69 HydrophobicContact CG1-CG 4.14Å; V58-L69 HydrophobicContact CG2-CD2 3.79Å; V58-L86 HydrophobicContact CG2-CB 4.25Å; V58-Y87 PolarHBondContact N-O 3.01Å; V58-H88 HydrophobicContact CB-CB 4.08Å; V58-H88 WeakPolarHBondContact O-CB 3.48Å; V58-L91 HydrophobicContact CG1-CD1 4.13Å; V58-L91 HydrophobicContact CG1-CD2 3.87Å
59	H	98.5	Very high	98	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.124	C	C	.	.			trans	-59.8	134.1	178.1	-158.4	179.4	0	0	0	111.2	L63 T64 P65 L91 M151 L152 T153 L165 S168 T172	H59-L63 WeakPolarHBondContact CE1-CD1 3.44Å; H59-T64 WeakPolarHBondContact O-CA 3.38Å; H59-P65 WeakPolarHBondContact O-CD 3.47Å; H59-L91 WeakPolarHBondContact O-CD2 3.3Å; H59-M151 WeakPolarHBondContact CB-O 3.41Å; H59-M151 PolarHBondContact N-O 3.48Å; H59-L152 HydrophobicContact CB-CD2 4.18Å; H59-T153 PolarHBondContact CE1-O 3.1Å; H59-T153 PolarHBondContact ND1-N 2.92Å; H59-T153 PolarHBondContact ND1-O 3.1Å; H59-L165 PolarHBondContact CE1-O 2.85Å; H59-S168 WeakPolarHBondContact NE2-CB 3.09Å; H59-S168 PolarHBondContact NE2-O 2.89Å; H59-T172 PolarHBondContact CD2-OG1 3.1Å
60	G	94.8	Very high	98.1	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.12	C	C	.	.			trans	-90.1	177.8	-168.9	0	0	0	0	0	115.7	V58 A62 L63 I89	V58-G60 PolarHBondContact O-N 3.4Å; G60-A62 PolarHBondContact O-N 3.03Å; G60-L63 PolarHBondContact O-N 2.87Å; G60-L63 VanDerWaalsContact O-N 3.14Å; G60-I89 VanDerWaalsContact CA-O 3.26Å; G60-I89 WeakPolarHBondContact CA-O 3.29Å
61	V	95.2	Very high	98.1	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.006	12%	0.123	C	C	.	.	B	Isolated β-bridge	trans	57.4	-129.6	164.2	-163.6	0	0	0	0	110.9	L63 T64 H90 E92 F301 L303	V61-L63 PolarHBondContact O-N 3.34Å; V61-L63 VanDerWaalsContact O-N 3.12Å; V61-T64 PolarHBondContact O-N 2.9Å; V61-T64 PolarHBondContact O-OG1 3.13Å; V61-H90 WeakPolarHBondContact CA-O 3.27Å; V61-H90 HydrophobicContact CG2-CB 4.42Å; V61-H90 PolarHBondContact N-O 3.07Å; V61-E92 WeakPolarHBondContact O-CG 3.19Å; V61-F301 HydrophobicContact CB-CD2 4.49Å; V61-F301 HydrophobicContact CG1-CD2 4.12Å; V61-F301 HydrophobicContact CG2-CD2 3.75Å; V61-F301 HydrophobicContact CG2-CE2 4.06Å; V61-F301 HydrophobicContact CG2-CG 4.27Å; V61-L303 HydrophobicContact CG1-CB 3.71Å; V61-L303 HydrophobicContact CG1-CD1 3.96Å; V61-L303 HydrophobicContact CG1-CD2 4.07Å; V61-L303 HydrophobicContact CG1-CG 4.1Å
62	A	97.3	Very high	98.1	Very high	2 Å²	2	14 Å²	14	2%	0.017	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-16.8	-175.2	0	0	0	0	0	113.4	G60 Y215 L303 Y309	G60-A62 PolarHBondContact O-N 3.03Å; A62-Y215 WeakPolarHBondContact CB-O 3.34Å; A62-Y215 PolarHBondContact O-N 3.12Å; A62-L303 HydrophobicContact CB-CD1 3.95Å; A62-Y309 HydrophobicContact CB-CE1 4.45Å; A62-Y309 HydrophobicContact CB-CE2 4.46Å; A62-Y309 WeakPolarHBondContact CB-OH 3.44Å
63	L	98.4	Very high	98.1	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.005	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	13	-173.9	-62.1	179.8	0	0	0	113	H59 G60 V61 P65 T153 L165 T167 V190 L214	H59-L63 WeakPolarHBondContact CE1-CD1 3.44Å; G60-L63 PolarHBondContact O-N 2.87Å; G60-L63 VanDerWaalsContact O-N 3.14Å; V61-L63 PolarHBondContact O-N 3.34Å; V61-L63 VanDerWaalsContact O-N 3.12Å; L63-P65 VanDerWaalsContact O-CD 3.32Å; L63-P65 WeakPolarHBondContact O-CD 3.33Å; L63-P65 VanDerWaalsContact O-N 3.09Å; L63-T153 HydrophobicContact CD2-CG2 4.31Å; L63-T153 VanDerWaalsContact O-CB 3.24Å; L63-T153 WeakPolarHBondContact O-CB 3.32Å; L63-T153 PolarHBondContact O-OG1 3.42Å; L63-L165 WeakPolarHBondContact CD1-O 3.47Å; L63-T167 WeakPolarHBondContact CG-OG1 3.49Å; L63-V190 HydrophobicContact CD1-CG1 4.5Å; L63-V190 HydrophobicContact CD2-CB 4.45Å; L63-V190 HydrophobicContact CD2-CG1 4.07Å; L63-V190 HydrophobicContact CD2-CG2 3.72Å; L63-L214 HydrophobicContact CD2-CD1 3.9Å; L63-L214 HydrophobicContact CD2-CD2 3.87Å; L63-L214 HydrophobicContact CD2-CG 4.49Å
64	T	98.4	Very high	98.1	Very high	7 Å²	7	12 Å²	12	4%	0.043	7%	0.067	C	C	.	.			trans	-49.4	115.9	175.9	-62.5	0	0	0	0	110.3	H59 V61 T66 L69 L91 E92 Y215	H59-T64 WeakPolarHBondContact O-CA 3.38Å; V61-T64 PolarHBondContact O-N 2.9Å; V61-T64 PolarHBondContact O-OG1 3.13Å; T64-T66 PolarHBondContact O-N 3.42Å; T64-L69 HydrophobicContact CG2-CD1 3.91Å; T64-L91 HydrophobicContact CG2-CB 3.99Å; T64-L91 HydrophobicContact CG2-CD2 3.96Å; T64-L91 HydrophobicContact CG2-CG 4.39Å; T64-L91 WeakPolarHBondContact OG1-CA 3.41Å; T64-E92 WeakPolarHBondContact CG2-O 3.16Å; T64-E92 PolarHBondContact OG1-N 3.42Å; T64-Y215 HydrophobicContact CG2-CE2 4.45Å
65	P	98.2	Very high	98.1	Very high	2 Å²	2	12.1 Å²	12.1	1%	0.013	7%	0.066	C	C	.	.			trans	-82.7	64.1	-173.4	34.4	-37	0	0	0	111.1	V58 H59 L63 I67 L68 L69 M151 I185	V58-P65 HydrophobicContact CG1-CG 3.74Å; H59-P65 WeakPolarHBondContact O-CD 3.47Å; L63-P65 VanDerWaalsContact O-CD 3.32Å; L63-P65 WeakPolarHBondContact O-CD 3.33Å; L63-P65 VanDerWaalsContact O-N 3.09Å; P65-I67 VanDerWaalsContact C-N 3.25Å; P65-I67 PolarHBondContact O-N 2.9Å; P65-I67 VanDerWaalsContact O-N 3.15Å; P65-L68 HydrophobicContact CB-CB 4.23Å; P65-L68 HydrophobicContact CB-CD1 4.17Å; P65-L68 WeakPolarHBondContact O-CB 3.27Å; P65-L68 PolarHBondContact O-N 3.32Å; P65-L69 HydrophobicContact CG-CG 4.48Å; P65-L69 PolarHBondContact O-N 2.97Å; P65-M151 HydrophobicContact CG-CB 4.09Å; P65-I185 HydrophobicContact CB-CD1 3.61Å
66	T	97.8	Very high	98.1	Very high	18 Å²	18	11.7 Å²	11.7	11%	0.11	6%	0.063	C	C	.	.	H	α-helix	trans	-56.5	-35.5	-171.1	-60.2	0	0	0	0	113.6	T64 L68 L69 N70 Y215	T64-T66 PolarHBondContact O-N 3.42Å; T66-L68 VanDerWaalsContact C-N 3.31Å; T66-L68 PolarHBondContact O-N 2.9Å; T66-L69 PolarHBondContact O-N 3.28Å; T66-N70 WeakPolarHBondContact O-CB 3.44Å; T66-N70 VanDerWaalsContact O-CG 3.29Å; T66-N70 PolarHBondContact O-N 3.02Å; T66-N70 PolarHBondContact O-ND2 3.4Å; T66-Y215 WeakPolarHBondContact CB-OH 3.39Å; T66-Y215 WeakPolarHBondContact OG1-CE2 3.45Å; T66-Y215 PolarHBondContact OG1-OH 3.02Å
67	I	97.6	Very high	98	Very high	55 Å²	55	15.9 Å²	15.9	28%	0.282	8%	0.082	S	C	.	.	H	α-helix	trans	-62.2	-39.3	176.3	65.3	175.6	0	0	0	111.8	P43 P65 A71 I185 I208 D210	P43-I67 HydrophobicContact CG-CD1 4.33Å; P65-I67 VanDerWaalsContact C-N 3.25Å; P65-I67 PolarHBondContact O-N 2.9Å; P65-I67 VanDerWaalsContact O-N 3.15Å; I67-A71 WeakPolarHBondContact O-CB 3.43Å; I67-A71 PolarHBondContact O-N 3.42Å; I67-I185 HydrophobicContact CD1-CD1 3.73Å; I67-I185 HydrophobicContact CD1-CG1 4.19Å; I67-I185 HydrophobicContact CD1-CG2 4.42Å; I67-I185 HydrophobicContact CG1-CD1 3.54Å; I67-I185 HydrophobicContact CG1-CG1 4.42Å; I67-I208 HydrophobicContact CD1-CG2 4.47Å; I67-D210 HydrophobicContact CD1-CB 3.79Å
68	L	98.6	Very high	98	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-73.4	-38.7	177	-80	174.6	0	0	0	111.6	P43 A46 V47 P65 T66 A71 L72 M151 I183 I185 I208	P43-L68 HydrophobicContact CB-CD2 4.39Å; A46-L68 HydrophobicContact CB-CD2 4.23Å; V47-L68 HydrophobicContact CG1-CD2 3.95Å; P65-L68 HydrophobicContact CB-CB 4.23Å; P65-L68 HydrophobicContact CB-CD1 4.17Å; P65-L68 WeakPolarHBondContact O-CB 3.27Å; P65-L68 PolarHBondContact O-N 3.32Å; T66-L68 VanDerWaalsContact C-N 3.31Å; T66-L68 PolarHBondContact O-N 2.9Å; L68-A71 PolarHBondContact O-N 3.32Å; L68-L72 VanDerWaalsContact O-CB 3.23Å; L68-L72 WeakPolarHBondContact O-CB 3.33Å; L68-L72 PolarHBondContact O-N 2.7Å; L68-M151 HydrophobicContact CB-SD 3.98Å; L68-M151 HydrophobicContact CD1-CB 4.16Å; L68-M151 HydrophobicContact CD1-CG 4.31Å; L68-I183 HydrophobicContact CD1-CB 4.47Å; L68-I183 HydrophobicContact CD1-CG2 3.54Å; L68-I183 HydrophobicContact CD2-CG2 3.78Å; L68-I183 HydrophobicContact CG-CG2 4.33Å; L68-I185 HydrophobicContact CD1-CD1 3.75Å; L68-I185 HydrophobicContact CD1-CG1 3.67Å; L68-I185 HydrophobicContact CG-CD1 3.93Å; L68-I185 HydrophobicContact CG-CG1 4.1Å; L68-I208 HydrophobicContact CD1-CD1 4.34Å; L68-I208 HydrophobicContact CD2-CD1 3.39Å; L68-I208 HydrophobicContact CG-CD1 4.05Å
69	L	98.6	Very high	97.9	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-66.3	-39.7	178	-67	169.1	0	0	0	111.9	V58 T64 P65 T66 L72 A73 L86 L91 W97	V58-L69 HydrophobicContact CB-CD2 4.46Å; V58-L69 HydrophobicContact CG1-CD1 3.8Å; V58-L69 HydrophobicContact CG1-CD2 3.8Å; V58-L69 HydrophobicContact CG1-CG 4.14Å; V58-L69 HydrophobicContact CG2-CD2 3.79Å; T64-L69 HydrophobicContact CG2-CD1 3.91Å; P65-L69 HydrophobicContact CG-CG 4.48Å; P65-L69 PolarHBondContact O-N 2.97Å; T66-L69 PolarHBondContact O-N 3.28Å; L69-L72 PolarHBondContact O-N 2.77Å; L69-A73 WeakPolarHBondContact O-CB 3.2Å; L69-A73 PolarHBondContact O-N 3.02Å; L69-L86 HydrophobicContact CD2-CD1 4.19Å; L69-L91 HydrophobicContact CD1-CD1 4.15Å; L69-W97 HydrophobicContact CB-CD2 4.15Å; L69-W97 HydrophobicContact CB-CE3 3.47Å; L69-W97 VanDerWaalsContact CB-CE3 3.47Å; L69-W97 HydrophobicContact CB-CH2 4.28Å; L69-W97 HydrophobicContact CB-CZ3 3.52Å; L69-W97 HydrophobicContact CD1-CE3 4.14Å; L69-W97 HydrophobicContact CD1-CH2 3.39Å; L69-W97 HydrophobicContact CD1-CZ2 3.88Å; L69-W97 HydrophobicContact CD1-CZ3 3.52Å; L69-W97 HydrophobicContact CG-CE3 4.28Å; L69-W97 HydrophobicContact CG-CH2 4.37Å; L69-W97 HydrophobicContact CG-CZ3 4.09Å
70	N	98.3	Very high	97.9	Very high	49 Å²	49	30.4 Å²	30.4	26%	0.262	16%	0.164	S	C	.	.	H	α-helix	trans	-66.1	-46.5	173.8	-73.7	-20.2	0	0	0	111.5	T66 L72 A73 D74 K96	T66-N70 WeakPolarHBondContact O-CB 3.44Å; T66-N70 VanDerWaalsContact O-CG 3.29Å; T66-N70 PolarHBondContact O-N 3.02Å; T66-N70 PolarHBondContact O-ND2 3.4Å; N70-L72 VanDerWaalsContact C-N 3.29Å; N70-L72 PolarHBondContact O-N 3.32Å; N70-A73 WeakPolarHBondContact O-CB 3.31Å; N70-A73 PolarHBondContact O-N 2.82Å; N70-D74 PolarHBondContact O-N 3.23Å; N70-K96 HydrophobicContact CB-CD 4.46Å; N70-K96 VanDerWaalsContact OD1-CB 3.32Å; N70-K96 WeakPolarHBondContact OD1-CB 3.31Å
71	A	98.6	Very high	98.1	Very high	8 Å²	8	31.2 Å²	31.2	7%	0.066	17%	0.168	C	C	.	.	H	α-helix	trans	-60.4	-39.7	175.5	0	0	0	0	0	111.6	P43 V47 I67 L68 D74 H75	P43-A71 HydrophobicContact CB-CB 3.98Å; V47-A71 HydrophobicContact CG1-CB 4.03Å; V47-A71 HydrophobicContact CG2-CB 4.13Å; I67-A71 WeakPolarHBondContact O-CB 3.43Å; I67-A71 PolarHBondContact O-N 3.42Å; L68-A71 PolarHBondContact O-N 3.32Å; A71-D74 PolarHBondContact O-N 2.92Å; A71-H75 WeakPolarHBondContact O-CB 3.42Å; A71-H75 PolarHBondContact O-N 3.14Å
72	L	98.8	Very high	98.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-65.2	-42.7	176.1	178	60.8	0	0	0	111.5	V47 V50 L68 L69 N70 D74 H75 A76 L86 L106 M151	V47-L72 HydrophobicContact CB-CB 4.47Å; V47-L72 HydrophobicContact CB-CD1 4.47Å; V47-L72 HydrophobicContact CG1-CB 4.08Å; V50-L72 HydrophobicContact CB-CD1 3.83Å; V50-L72 HydrophobicContact CG1-CD1 3.8Å; V50-L72 HydrophobicContact CG2-CD1 3.92Å; L68-L72 VanDerWaalsContact O-CB 3.23Å; L68-L72 WeakPolarHBondContact O-CB 3.33Å; L68-L72 PolarHBondContact O-N 2.7Å; L69-L72 PolarHBondContact O-N 2.77Å; N70-L72 VanDerWaalsContact C-N 3.29Å; N70-L72 PolarHBondContact O-N 3.32Å; L72-D74 PolarHBondContact O-N 3.43Å; L72-H75 PolarHBondContact O-N 3.22Å; L72-A76 WeakPolarHBondContact O-CB 3.49Å; L72-A76 PolarHBondContact O-N 3.14Å; L72-L86 HydrophobicContact CD2-CD2 3.77Å; L72-L106 HydrophobicContact CD2-CD2 4.38Å; L72-L106 HydrophobicContact CG-CD1 4.23Å; L72-L106 HydrophobicContact CG-CD2 4.25Å; L72-M151 HydrophobicContact CB-CE 4.22Å; L72-M151 HydrophobicContact CD1-CE 4.48Å; L72-M151 HydrophobicContact CD2-CE 3.83Å; L72-M151 HydrophobicContact CD2-SD 4.37Å; L72-M151 HydrophobicContact CG-CE 4.39Å
73	A	98.5	Very high	98.2	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-57.6	-48.8	176.1	0	0	0	0	0	111.4	L69 N70 A76 K77 W97 Y102 L106	L69-A73 WeakPolarHBondContact O-CB 3.2Å; L69-A73 PolarHBondContact O-N 3.02Å; N70-A73 WeakPolarHBondContact O-CB 3.31Å; N70-A73 PolarHBondContact O-N 2.82Å; A73-A76 PolarHBondContact O-N 3.09Å; A73-K77 WeakPolarHBondContact O-CB 3.47Å; A73-K77 PolarHBondContact O-N 3.14Å; A73-W97 HydrophobicContact CB-CB 3.98Å; A73-Y102 HydrophobicContact CB-CD1 3.78Å; A73-Y102 HydrophobicContact CB-CE1 3.73Å; A73-Y102 HydrophobicContact CB-CG 4.37Å; A73-Y102 WeakPolarHBondContact O-CD1 3.37Å; A73-Y102 VanDerWaalsContact O-CE1 3.28Å; A73-Y102 WeakPolarHBondContact O-CE1 3.44Å; A73-L106 HydrophobicContact CB-CD1 4.15Å
74	D	98.6	Very high	98.2	Very high	71 Å²	71	37.4 Å²	37.4	38%	0.38	21%	0.205	S	C	.	.	H	α-helix	trans	-68	-41.5	179.7	-66.9	-31.5	0	0	0	112	N70 A71 L72 K77 A78 K96 Y102	N70-D74 PolarHBondContact O-N 3.23Å; A71-D74 PolarHBondContact O-N 2.92Å; L72-D74 PolarHBondContact O-N 3.43Å; D74-K77 PolarHBondContact O-N 2.92Å; D74-A78 VanDerWaalsContact O-CB 3.24Å; D74-A78 WeakPolarHBondContact O-CB 3.43Å; D74-A78 PolarHBondContact O-N 2.88Å; D74-K96 WeakPolarHBondContact OD1-CE 3.36Å; D74-K96 IonicContact OD1-NZ 3.69Å; D74-K96 PolarHBondContact OD1-NZ 2.5Å; D74-K96 IonicContact OD2-NZ 3.15Å; D74-K96 PolarHBondContact OD2-NZ 3.29Å; D74-Y102 PolarHBondContact OD1-OH 3.3Å; D74-Y102 VanDerWaalsContact OD1-OH 3.1Å
75	H	98.5	Very high	98.2	Very high	28 Å²	28	41.5 Å²	41.5	13%	0.13	22%	0.222	C	C	.	.	H	α-helix	trans	-60.7	-46.3	174.5	-178.6	67.3	0	0	0	111.9	V47 A71 L72 K77 A78 K79	V47-H75 HydrophobicContact CG2-CB 3.71Å; V47-H75 PolarHBondContact O-CD2 2.63Å; A71-H75 WeakPolarHBondContact O-CB 3.42Å; A71-H75 PolarHBondContact O-N 3.14Å; L72-H75 PolarHBondContact O-N 3.22Å; H75-K77 VanDerWaalsContact C-N 3.33Å; H75-K77 PolarHBondContact O-N 3.24Å; H75-A78 PolarHBondContact O-N 2.78Å; H75-K79 VanDerWaalsContact CE1-CG 3.47Å; H75-K79 WeakPolarHBondContact CE1-CG 3.22Å; H75-K79 WeakPolarHBondContact O-CB 3.45Å; H75-K79 PolarHBondContact O-N 2.99Å
76	A	98.5	Very high	98.3	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-63.6	-39.6	-179.4	0	0	0	0	0	111.7	L72 A73 D80 L81 H105 L106	L72-A76 WeakPolarHBondContact O-CB 3.49Å; L72-A76 PolarHBondContact O-N 3.14Å; A73-A76 PolarHBondContact O-N 3.09Å; A76-D80 CarbonylContact O-C 3.56Å; A76-D80 WeakPolarHBondContact O-CA 3.34Å; A76-D80 PolarHBondContact O-N 2.98Å; A76-L81 HydrophobicContact CB-CB 4.04Å; A76-L81 HydrophobicContact CB-CD1 4.19Å; A76-L81 HydrophobicContact CB-CG 4.35Å; A76-L81 PolarHBondContact O-N 3.4Å; A76-H105 HydrophobicContact CB-CB 3.95Å; A76-H105 PolarHBondContact O-CE1 2.88Å; A76-H105 PolarHBondContact O-ND1 2.93Å; A76-L106 HydrophobicContact CB-CD1 4.29Å; A76-L106 HydrophobicContact CB-CD2 3.73Å; A76-L106 HydrophobicContact CB-CG 4Å
77	K	98.1	Very high	98.3	Very high	89 Å²	89	41.7 Å²	41.7	39%	0.387	22%	0.22	S	C	.	.	H	α-helix	trans	-65.7	-48.4	172.8	-169.3	170.8	-175.1	171.3	0	111.7	A73 D74 H75 K79 D80 D101 Y102	A73-K77 WeakPolarHBondContact O-CB 3.47Å; A73-K77 PolarHBondContact O-N 3.14Å; D74-K77 PolarHBondContact O-N 2.92Å; H75-K77 VanDerWaalsContact C-N 3.33Å; H75-K77 PolarHBondContact O-N 3.24Å; K77-K79 PolarHBondContact O-N 2.75Å; K77-D80 PolarHBondContact O-N 2.7Å; K77-D101 IonicContact NZ-OD2 3.65Å; K77-D101 PolarHBondContact NZ-OD2 2.93Å; K77-Y102 HydrophobicContact CB-CD1 4.23Å; K77-Y102 HydrophobicContact CB-CE1 3.98Å; K77-Y102 HydrophobicContact CD-CD1 4.35Å; K77-Y102 HydrophobicContact CD-CE1 3.8Å
78	A	98	Very high	98.3	Very high	83 Å²	83	39.1 Å²	39.1	69%	0.686	21%	0.207	S	C	*	.	H	α-helix	trans	-67.6	-32.6	-176.5	0	0	0	0	0	114	D74 H75	D74-A78 VanDerWaalsContact O-CB 3.24Å; D74-A78 WeakPolarHBondContact O-CB 3.43Å; D74-A78 PolarHBondContact O-N 2.88Å; H75-A78 PolarHBondContact O-N 2.78Å
79	K	97.8	Very high	98.1	Very high	144 Å²	144	39.2 Å²	39.2	63%	0.626	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.8	5.9	178.3	-64.5	-55.8	-173.3	-177.8	0	114.1	H75 K77 L81	H75-K79 VanDerWaalsContact CE1-CG 3.47Å; H75-K79 WeakPolarHBondContact CE1-CG 3.22Å; H75-K79 WeakPolarHBondContact O-CB 3.45Å; H75-K79 PolarHBondContact O-N 2.99Å; K77-K79 PolarHBondContact O-N 2.75Å; K79-L81 HydrophobicContact CB-CD2 4.07Å; K79-L81 HydrophobicContact CB-CG 4.2Å; K79-L81 PolarHBondContact O-N 2.85Å
80	D	97.7	Very high	97.7	Very high	80 Å²	80	40.7 Å²	40.7	43%	0.428	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	39.7	-177.9	-153.2	45.8	0	0	0	113.7	A76 K77 R82 H105	A76-D80 CarbonylContact O-C 3.56Å; A76-D80 WeakPolarHBondContact O-CA 3.34Å; A76-D80 PolarHBondContact O-N 2.98Å; K77-D80 PolarHBondContact O-N 2.7Å; D80-R82 VanDerWaalsContact CG-CZ 3.47Å; D80-R82 VanDerWaalsContact CG-NH1 3.26Å; D80-R82 PolarHBondContact O-NH1 2.87Å; D80-R82 IonicContact OD1-CZ 3.38Å; D80-R82 IonicContact OD1-NH1 3.72Å; D80-R82 PolarHBondContact OD1-NH1 2.89Å; D80-R82 IonicContact OD1-NH2 2.7Å; D80-R82 PolarHBondContact OD1-NH2 2.88Å; D80-R82 IonicContact OD2-CZ 3.57Å; D80-R82 IonicContact OD2-NH1 3.29Å; D80-R82 IonicContact OD2-NH2 2.64Å; D80-R82 PolarHBondContact OD2-NH2 2.76Å; D80-H105 IonicContact OD1-CE1 3.74Å; D80-H105 PolarHBondContact OD1-CE1 3.18Å; D80-H105 IonicContact OD1-ND1 2.63Å
81	L	98.5	Very high	97.6	Very high	16 Å²	16	38.4 Å²	38.4	8%	0.084	20%	0.202	C	C	.	.			trans	-60.5	147.9	178	-58.5	-173.8	0	0	0	110.3	V50 S52 A76 K79 V84 H105	V50-L81 WeakPolarHBondContact O-CD1 3.43Å; S52-L81 WeakPolarHBondContact OG-CA 3.49Å; A76-L81 HydrophobicContact CB-CB 4.04Å; A76-L81 HydrophobicContact CB-CD1 4.19Å; A76-L81 HydrophobicContact CB-CG 4.35Å; A76-L81 PolarHBondContact O-N 3.4Å; K79-L81 HydrophobicContact CB-CD2 4.07Å; K79-L81 HydrophobicContact CB-CG 4.2Å; K79-L81 PolarHBondContact O-N 2.85Å; L81-V84 HydrophobicContact CB-CG2 4.09Å; L81-V84 HydrophobicContact CD1-CG2 4.46Å; L81-H105 WeakPolarHBondContact O-CA 3.37Å; L81-H105 PolarHBondContact O-ND1 3.4Å
82	R	98	Very high	97.5	Very high	90 Å²	90	40 Å²	40	34%	0.34	21%	0.208	S	C	.	.			trans	-135.2	143.8	-176.6	-69.4	-64.7	-174.6	-88.6	-7.1	111.3	S52 G53 D80 V84 K104 H105	S52-R82 CarbonylContact C-O 3.57Å; S52-R82 WeakPolarHBondContact CA-O 3.25Å; S52-R82 VanDerWaalsContact CB-O 3.27Å; S52-R82 WeakPolarHBondContact CB-O 2.85Å; S52-R82 PolarHBondContact OG-N 3.23Å; G53-R82 PolarHBondContact N-O 3.02Å; D80-R82 VanDerWaalsContact CG-CZ 3.47Å; D80-R82 VanDerWaalsContact CG-NH1 3.26Å; D80-R82 PolarHBondContact O-NH1 2.87Å; D80-R82 IonicContact OD1-CZ 3.38Å; D80-R82 IonicContact OD1-NH1 3.72Å; D80-R82 PolarHBondContact OD1-NH1 2.89Å; D80-R82 IonicContact OD1-NH2 2.7Å; D80-R82 PolarHBondContact OD1-NH2 2.88Å; D80-R82 IonicContact OD2-CZ 3.57Å; D80-R82 IonicContact OD2-NH1 3.29Å; D80-R82 IonicContact OD2-NH2 2.64Å; D80-R82 PolarHBondContact OD2-NH2 2.76Å; R82-V84 PolarHBondContact O-N 2.79Å; R82-K104 WeakPolarHBondContact CD-O 3.25Å; R82-H105 PolarHBondContact NH1-CE1 2.97Å; R82-H105 PolarHBondContact NH1-ND1 3.31Å
83	G	96.9	Very high	97.3	Very high	44 Å²	44	41 Å²	41	45%	0.454	22%	0.219	S	C	.	.	S	Bend	trans	67.1	21.6	172.7	0	0	0	0	0	114.2	G53	G53-G83 WeakPolarHBondContact CA-O 3.36Å
84	V	98.8	Very high	97.1	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	124	172.9	-178	0	0	0	0	108.2	V50 K51 D54 V56 L81 R82 L86 H105 L106 R107	V50-V84 HydrophobicContact CG1-CG1 3.94Å; V50-V84 HydrophobicContact CG1-CG2 4.38Å; K51-V84 WeakPolarHBondContact O-CG2 3.31Å; D54-V84 WeakPolarHBondContact O-CA 3.4Å; V56-V84 HydrophobicContact CG2-CG1 3.87Å; L81-V84 HydrophobicContact CB-CG2 4.09Å; L81-V84 HydrophobicContact CD1-CG2 4.46Å; R82-V84 PolarHBondContact O-N 2.79Å; V84-L86 HydrophobicContact CG1-CD2 4.24Å; V84-H105 PolarHBondContact N-O 3.26Å; V84-L106 HydrophobicContact CB-CD2 3.62Å; V84-L106 HydrophobicContact CG1-CD2 3.72Å; V84-L106 HydrophobicContact CG2-CD2 4.24Å; V84-R107 PolarHBondContact O-N 2.92Å
85	K	98.7	Very high	97	Very high	93 Å²	93	42.7 Å²	42.7	40%	0.404	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	123.4	-175.6	-63.1	173.5	-167.9	173	0	109.6	D54 C55 V56 Y87 R107	D54-K85 PolarHBondContact O-N 2.81Å; C55-K85 CarbonylContact C-O 3.54Å; C55-K85 WeakPolarHBondContact CA-O 3.38Å; V56-K85 PolarHBondContact N-O 2.82Å; K85-Y87 HydrophobicContact CB-CD2 4.45Å; K85-Y87 HydrophobicContact CB-CE2 3.76Å; K85-R107 CarbonylContact C-O 3.44Å; K85-R107 WeakPolarHBondContact CA-O 3.2Å
86	L	98.8	Very high	96.9	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	133.4	175.4	-45.5	-177.4	0	0	0	108.9	V56 V58 L69 L72 V84 W97 R107 S108 N109	V56-L86 HydrophobicContact CB-CD2 3.73Å; V56-L86 HydrophobicContact CG1-CD2 4.24Å; V56-L86 HydrophobicContact CG2-CD2 4.13Å; V56-L86 CarbonylContact O-C 3.58Å; V56-L86 VanDerWaalsContact O-CA 3.3Å; V56-L86 WeakPolarHBondContact O-CA 3.42Å; V58-L86 HydrophobicContact CG2-CB 4.25Å; L69-L86 HydrophobicContact CD2-CD1 4.19Å; L72-L86 HydrophobicContact CD2-CD2 3.77Å; V84-L86 HydrophobicContact CG1-CD2 4.24Å; L86-W97 VanDerWaalsContact CD1-CD1 3.44Å; L86-W97 HydrophobicContact CD1-CG 4.05Å; L86-R107 PolarHBondContact N-O 3.22Å; L86-S108 CarbonylContact O-C 3.48Å; L86-N109 WeakPolarHBondContact O-CA 3.41Å; L86-N109 VanDerWaalsContact O-CB 3.32Å; L86-N109 WeakPolarHBondContact O-CB 3.09Å; L86-N109 PolarHBondContact O-N 2.91Å; L86-N109 PolarHBondContact O-ND2 2.77Å
87	Y	98.5	Very high	96.9	Very high	24 Å²	24	43.8 Å²	43.8	9%	0.094	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	129.7	174	-68	-89.7	0	0	0	110.1	C55 V56 Y57 V58 K85 N109 L129 I145	C55-Y87 HydrophobicContact CB-CD2 4.43Å; C55-Y87 HydrophobicContact CB-CE2 4.11Å; V56-Y87 PolarHBondContact O-N 2.85Å; Y57-Y87 WeakPolarHBondContact CA-O 3.45Å; V58-Y87 PolarHBondContact N-O 3.01Å; K85-Y87 HydrophobicContact CB-CD2 4.45Å; K85-Y87 HydrophobicContact CB-CE2 3.76Å; Y87-N109 WeakPolarHBondContact CA-O 3.23Å; Y87-N109 HydrophobicContact CD1-CB 3.45Å; Y87-N109 VanDerWaalsContact CD1-CB 3.45Å; Y87-N109 HydrophobicContact CE1-CB 3.46Å; Y87-N109 VanDerWaalsContact CE1-CB 3.46Å; Y87-N109 HydrophobicContact CG-CB 4.16Å; Y87-L129 HydrophobicContact CE1-CD2 4.47Å; Y87-I145 HydrophobicContact CD1-CD1 3.66Å; Y87-I145 HydrophobicContact CD1-CG1 4.44Å; Y87-I145 HydrophobicContact CD1-CG2 4.18Å; Y87-I145 HydrophobicContact CD2-CG2 3.61Å; Y87-I145 HydrophobicContact CE1-CD1 3.32Å; Y87-I145 HydrophobicContact CE1-CG1 3.85Å; Y87-I145 HydrophobicContact CE1-CG2 4.08Å; Y87-I145 HydrophobicContact CE2-CG2 3.47Å; Y87-I145 VanDerWaalsContact CE2-CG2 3.47Å; Y87-I145 HydrophobicContact CG-CD1 4.49Å; Y87-I145 HydrophobicContact CG-CG2 3.95Å
88	H	97.6	Very high	96.8	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.009	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.1	151.7	-174.4	49.6	79.1	0	0	0	113.1	V58 L91 S108 N109 L111	V58-H88 HydrophobicContact CB-CB 4.08Å; V58-H88 WeakPolarHBondContact O-CB 3.48Å; H88-L91 HydrophobicContact CB-CD1 4.14Å; H88-L91 HydrophobicContact CB-CD2 3.8Å; H88-L91 HydrophobicContact CB-CG 3.96Å; H88-L91 VanDerWaalsContact CD2-CD1 3.46Å; H88-L91 WeakPolarHBondContact CD2-CD1 3.22Å; H88-L91 VanDerWaalsContact CG-CD1 3.49Å; H88-L91 WeakPolarHBondContact ND1-CG 3.49Å; H88-S108 WeakPolarHBondContact NE2-CB 3.45Å; H88-S108 PolarHBondContact NE2-OG 2.62Å; H88-N109 PolarHBondContact N-O 2.84Å; H88-L111 PolarHBondContact O-N 3.09Å
89	I	94	Very high	96.8	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	127.9	161.7	-63.8	167.2	0	0	0	106.5	G60 L111 F112 L133 D170 C171	G60-I89 VanDerWaalsContact CA-O 3.26Å; G60-I89 WeakPolarHBondContact CA-O 3.29Å; I89-L111 HydrophobicContact CG1-CB 3.93Å; I89-L111 HydrophobicContact CG1-CD1 4.37Å; I89-F112 HydrophobicContact CG2-CB 3.9Å; I89-L133 HydrophobicContact CD1-CD1 3.61Å; I89-L133 HydrophobicContact CG1-CD1 4.17Å; I89-D170 HydrophobicContact CD1-CB 4.02Å; I89-C171 HydrophobicContact CD1-CB 4.22Å; I89-C171 WeakPolarHBondContact CD1-SG 3.43Å
90	H	91.1	Very high	96.8	Very high	33 Å²	33	37.9 Å²	37.9	15%	0.153	21%	0.209	C	C	.	.			trans	37	98.3	164.5	-170.7	98	0	0	0	115.3	V61 E92 F112 A114	V61-H90 WeakPolarHBondContact CA-O 3.27Å; V61-H90 HydrophobicContact CG2-CB 4.42Å; V61-H90 PolarHBondContact N-O 3.07Å; H90-E92 IonicContact CD2-OE1 2.78Å; H90-E92 IonicContact CE1-OE1 3.27Å; H90-E92 IonicContact NE2-OE1 2.73Å; H90-E92 PolarHBondContact NE2-OE1 3.28Å; H90-F112 HydrophobicContact CB-CD1 4.11Å; H90-F112 PolarHBondContact N-O 3.22Å; H90-A114 HydrophobicContact CB-CB 4.42Å
91	L	96	Very high	96.7	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-97	139.6	176.3	-63	-177.7	0	0	0	111.7	V58 H59 T64 L69 H88 W97 A114 N116	V58-L91 HydrophobicContact CG1-CD1 4.13Å; V58-L91 HydrophobicContact CG1-CD2 3.87Å; H59-L91 WeakPolarHBondContact O-CD2 3.3Å; T64-L91 HydrophobicContact CG2-CB 3.99Å; T64-L91 HydrophobicContact CG2-CD2 3.96Å; T64-L91 HydrophobicContact CG2-CG 4.39Å; T64-L91 WeakPolarHBondContact OG1-CA 3.41Å; L69-L91 HydrophobicContact CD1-CD1 4.15Å; H88-L91 HydrophobicContact CB-CD1 4.14Å; H88-L91 HydrophobicContact CB-CD2 3.8Å; H88-L91 HydrophobicContact CB-CG 3.96Å; H88-L91 VanDerWaalsContact CD2-CD1 3.46Å; H88-L91 WeakPolarHBondContact CD2-CD1 3.22Å; H88-L91 VanDerWaalsContact CG-CD1 3.49Å; H88-L91 WeakPolarHBondContact ND1-CG 3.49Å; L91-W97 HydrophobicContact CD1-CH2 4.15Å; L91-W97 HydrophobicContact CD1-CZ2 3.52Å; L91-A114 WeakPolarHBondContact O-CB 3.31Å; L91-N116 PolarHBondContact O-ND2 2.89Å; L91-N116 PolarHBondContact O-OD1 2.91Å
92	E	95.5	Very high	96.6	Very high	41 Å²	41	38.7 Å²	38.7	19%	0.192	21%	0.213	C	C	.	.			trans	-94.6	157.7	174.8	-74	-63	156.5	0	0	112.2	V61 T64 H90 Y215	V61-E92 WeakPolarHBondContact O-CG 3.19Å; T64-E92 WeakPolarHBondContact CG2-O 3.16Å; T64-E92 PolarHBondContact OG1-N 3.42Å; H90-E92 IonicContact CD2-OE1 2.78Å; H90-E92 IonicContact CE1-OE1 3.27Å; H90-E92 IonicContact NE2-OE1 2.73Å; H90-E92 PolarHBondContact NE2-OE1 3.28Å; E92-Y215 HydrophobicContact CB-CD1 3.93Å; E92-Y215 HydrophobicContact CB-CD2 3.6Å; E92-Y215 HydrophobicContact CB-CE2 4.2Å; E92-Y215 HydrophobicContact CB-CG 3.45Å; E92-Y215 VanDerWaalsContact CB-CG 3.45Å; E92-Y215 HydrophobicContact CG-CG 4.32Å
93	G	95	Very high	96.5	Very high	21 Å²	21	36.1 Å²	36.1	22%	0.216	21%	0.21	C	C	.	.	S	Bend	trans	79.4	-173.4	175.9	0	0	0	0	0	116	N116	G93-N116 PolarHBondContact O-ND2 3Å
94	P	95.6	Very high	96.5	Very high	93 Å²	93	40 Å²	40	60%	0.604	22%	0.215	S	C	*	.			trans	-66.7	132.5	-177.1	-20.2	33	0	0	0	112.5	K96 W97	P94-K96 PolarHBondContact O-N 3.11Å; P94-W97 VanDerWaalsContact O-CZ3 3.31Å; P94-W97 WeakPolarHBondContact O-CZ3 3.01Å
95	A	96.1	Very high	96.4	Very high	14 Å²	14	40.2 Å²	40.2	12%	0.116	22%	0.216	C	C	.	.			trans	-101.7	61.3	-176.8	0	0	0	0	0	112.5	W97 V98 N116 L117	A95-W97 HydrophobicContact CB-CH2 3.96Å; A95-W97 HydrophobicContact CB-CZ2 3.84Å; A95-W97 HydrophobicContact CB-CZ3 4.4Å; A95-W97 PolarHBondContact O-N 3.43Å; A95-V98 HydrophobicContact CB-CG2 3.76Å; A95-V98 WeakPolarHBondContact O-CG2 3.38Å; A95-V98 PolarHBondContact O-N 3.44Å; A95-V98 VanDerWaalsContact O-N 3.15Å; A95-N116 HydrophobicContact CB-CB 4.49Å; A95-L117 HydrophobicContact CB-CD2 3.42Å; A95-L117 VanDerWaalsContact CB-CD2 3.42Å
96	K	96.7	Very high	96.4	Very high	49 Å²	49	36 Å²	36	21%	0.213	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-51.6	-41.5	-177.6	178.9	-179.9	171	-177.1	0	112.8	N70 D74 P94 V98 E99 Y102	N70-K96 HydrophobicContact CB-CD 4.46Å; N70-K96 VanDerWaalsContact OD1-CB 3.32Å; N70-K96 WeakPolarHBondContact OD1-CB 3.31Å; D74-K96 WeakPolarHBondContact OD1-CE 3.36Å; D74-K96 IonicContact OD1-NZ 3.69Å; D74-K96 PolarHBondContact OD1-NZ 2.5Å; D74-K96 IonicContact OD2-NZ 3.15Å; D74-K96 PolarHBondContact OD2-NZ 3.29Å; P94-K96 PolarHBondContact O-N 3.11Å; K96-V98 PolarHBondContact O-N 2.93Å; K96-V98 VanDerWaalsContact O-N 3.14Å; K96-E99 WeakPolarHBondContact O-CB 3.33Å; K96-E99 WeakPolarHBondContact O-CG 3.35Å; K96-E99 PolarHBondContact O-N 2.66Å; K96-E99 VanDerWaalsContact O-N 3.12Å; K96-Y102 WeakPolarHBondContact CE-OH 3.18Å; K96-Y102 HydrophobicContact CG-CE2 3.92Å; K96-Y102 WeakPolarHBondContact O-CD2 3.25Å
97	W	96.9	Very high	96.4	Very high	1 Å²	1	40.4 Å²	40.4	0%	0.004	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-66.1	-15.2	-175.1	62.2	90.6	0	0	0	114.7	L69 A73 L86 L91 P94 A95 Y102 L106 S108 L117	L69-W97 HydrophobicContact CB-CD2 4.15Å; L69-W97 HydrophobicContact CB-CE3 3.47Å; L69-W97 VanDerWaalsContact CB-CE3 3.47Å; L69-W97 HydrophobicContact CB-CH2 4.28Å; L69-W97 HydrophobicContact CB-CZ3 3.52Å; L69-W97 HydrophobicContact CD1-CE3 4.14Å; L69-W97 HydrophobicContact CD1-CH2 3.39Å; L69-W97 HydrophobicContact CD1-CZ2 3.88Å; L69-W97 HydrophobicContact CD1-CZ3 3.52Å; L69-W97 HydrophobicContact CG-CE3 4.28Å; L69-W97 HydrophobicContact CG-CH2 4.37Å; L69-W97 HydrophobicContact CG-CZ3 4.09Å; A73-W97 HydrophobicContact CB-CB 3.98Å; L86-W97 VanDerWaalsContact CD1-CD1 3.44Å; L86-W97 HydrophobicContact CD1-CG 4.05Å; L91-W97 HydrophobicContact CD1-CH2 4.15Å; L91-W97 HydrophobicContact CD1-CZ2 3.52Å; P94-W97 VanDerWaalsContact O-CZ3 3.31Å; P94-W97 WeakPolarHBondContact O-CZ3 3.01Å; A95-W97 HydrophobicContact CB-CH2 3.96Å; A95-W97 HydrophobicContact CB-CZ2 3.84Å; A95-W97 HydrophobicContact CB-CZ3 4.4Å; A95-W97 PolarHBondContact O-N 3.43Å; W97-Y102 VanDerWaalsContact O-CB 3.29Å; W97-Y102 WeakPolarHBondContact O-CB 3.28Å; W97-L106 HydrophobicContact CB-CD1 3.65Å; W97-S108 PolarHBondContact NE1-OG 2.92Å; W97-L117 HydrophobicContact CZ2-CD2 4.4Å
98	V	96.8	Very high	96.4	Very high	8 Å²	8	39.3 Å²	39.3	5%	0.048	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-94.5	-12.3	175	-64.1	0	0	0	0	113.6	A95 K96 L117 A120 R125 A126	A95-V98 HydrophobicContact CB-CG2 3.76Å; A95-V98 WeakPolarHBondContact O-CG2 3.38Å; A95-V98 PolarHBondContact O-N 3.44Å; A95-V98 VanDerWaalsContact O-N 3.15Å; K96-V98 PolarHBondContact O-N 2.93Å; K96-V98 VanDerWaalsContact O-N 3.14Å; V98-L117 HydrophobicContact CB-CD1 4.33Å; V98-L117 HydrophobicContact CG1-CD1 3.47Å; V98-L117 VanDerWaalsContact CG1-CD1 3.47Å; V98-L117 HydrophobicContact CG2-CD1 4.11Å; V98-A120 HydrophobicContact CB-CB 3.84Å; V98-A120 HydrophobicContact CG1-CB 4.49Å; V98-A120 HydrophobicContact CG2-CB 3.73Å; V98-R125 VanDerWaalsContact C-NH1 3.32Å; V98-R125 PolarHBondContact O-NH1 3.42Å; V98-A126 HydrophobicContact CG1-CB 4.43Å
99	E	97.5	Very high	96.4	Very high	94 Å²	94	40 Å²	40	44%	0.439	21%	0.214	S	C	.	.	S	Bend	trans	-52.1	152.5	179.3	-66.4	171.7	-173.3	0	0	112.1	K96 D101 Y102 A103	K96-E99 WeakPolarHBondContact O-CB 3.33Å; K96-E99 WeakPolarHBondContact O-CG 3.35Å; K96-E99 PolarHBondContact O-N 2.66Å; K96-E99 VanDerWaalsContact O-N 3.12Å; E99-D101 PolarHBondContact O-N 3.37Å; E99-Y102 HydrophobicContact CB-CD2 4.09Å; E99-Y102 PolarHBondContact O-N 2.87Å; E99-A103 PolarHBondContact O-N 3.02Å
100	P	97.3	Very high	96.4	Very high	90 Å²	90	39.9 Å²	39.9	58%	0.584	21%	0.213	S	C	*	.	G	3₁₀ helix	trans	-50.1	-37	-174.1	-29.7	36.4	0	0	0	114.5	Y102 A103	P100-Y102 PolarHBondContact O-N 3.31Å; P100-A103 WeakPolarHBondContact O-CB 3.23Å; P100-A103 PolarHBondContact O-N 3.47Å
101	D	96.6	Very high	96.6	Very high	98 Å²	98	38.5 Å²	38.5	52%	0.524	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-59.8	-27	177.5	-90.2	31.6	0	0	0	114.4	K77 E99	K77-D101 IonicContact NZ-OD2 3.65Å; K77-D101 PolarHBondContact NZ-OD2 2.93Å; E99-D101 PolarHBondContact O-N 3.37Å
102	Y	97.5	Very high	96.3	Very high	16 Å²	16	40.2 Å²	40.2	6%	0.063	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-103.6	-10.2	-176.2	-60.4	-83	0	0	0	113.1	A73 D74 K77 K96 W97 E99 P100 K104 H105 L106	A73-Y102 HydrophobicContact CB-CD1 3.78Å; A73-Y102 HydrophobicContact CB-CE1 3.73Å; A73-Y102 HydrophobicContact CB-CG 4.37Å; A73-Y102 WeakPolarHBondContact O-CD1 3.37Å; A73-Y102 VanDerWaalsContact O-CE1 3.28Å; A73-Y102 WeakPolarHBondContact O-CE1 3.44Å; D74-Y102 PolarHBondContact OD1-OH 3.3Å; D74-Y102 VanDerWaalsContact OD1-OH 3.1Å; K77-Y102 HydrophobicContact CB-CD1 4.23Å; K77-Y102 HydrophobicContact CB-CE1 3.98Å; K77-Y102 HydrophobicContact CD-CD1 4.35Å; K77-Y102 HydrophobicContact CD-CE1 3.8Å; K96-Y102 WeakPolarHBondContact CE-OH 3.18Å; K96-Y102 HydrophobicContact CG-CE2 3.92Å; K96-Y102 WeakPolarHBondContact O-CD2 3.25Å; W97-Y102 VanDerWaalsContact O-CB 3.29Å; W97-Y102 WeakPolarHBondContact O-CB 3.28Å; E99-Y102 HydrophobicContact CB-CD2 4.09Å; E99-Y102 PolarHBondContact O-N 2.87Å; P100-Y102 PolarHBondContact O-N 3.31Å; Y102-K104 PolarHBondContact O-N 3.45Å; Y102-K104 VanDerWaalsContact O-N 3.08Å; Y102-H105 WeakPolarHBondContact O-CA 3.38Å; Y102-H105 WeakPolarHBondContact O-CB 3.27Å; Y102-H105 PolarHBondContact O-N 3.36Å; Y102-L106 PolarHBondContact O-N 2.91Å
103	A	95.1	Very high	96	Very high	35 Å²	35	38.9 Å²	38.9	29%	0.289	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-25.4	-172.2	0	0	0	0	0	114.6	E99 P100 H105 R125	E99-A103 PolarHBondContact O-N 3.02Å; P100-A103 WeakPolarHBondContact O-CB 3.23Å; P100-A103 PolarHBondContact O-N 3.47Å; A103-H105 VanDerWaalsContact C-N 3.31Å; A103-R125 HydrophobicContact CB-CG 4.26Å
104	K	96.1	Very high	95.6	Very high	127 Å²	127	38 Å²	38	55%	0.552	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-15.9	174.7	71.1	-179.2	-175.3	178.1	0	113.6	R82 Y102	R82-K104 WeakPolarHBondContact CD-O 3.25Å; Y102-K104 PolarHBondContact O-N 3.45Å; Y102-K104 VanDerWaalsContact O-N 3.08Å
105	H	98.4	Very high	95.3	Very high	4 Å²	4	35.9 Å²	35.9	2%	0.019	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-50.6	-173.8	-59	-83.7	0	0	0	112.1	A76 D80 L81 R82 V84 Y102 A103	A76-H105 HydrophobicContact CB-CB 3.95Å; A76-H105 PolarHBondContact O-CE1 2.88Å; A76-H105 PolarHBondContact O-ND1 2.93Å; D80-H105 IonicContact OD1-CE1 3.74Å; D80-H105 PolarHBondContact OD1-CE1 3.18Å; D80-H105 IonicContact OD1-ND1 2.63Å; L81-H105 WeakPolarHBondContact O-CA 3.37Å; L81-H105 PolarHBondContact O-ND1 3.4Å; R82-H105 PolarHBondContact NH1-CE1 2.97Å; R82-H105 PolarHBondContact NH1-ND1 3.31Å; V84-H105 PolarHBondContact N-O 3.26Å; Y102-H105 WeakPolarHBondContact O-CA 3.38Å; Y102-H105 WeakPolarHBondContact O-CB 3.27Å; Y102-H105 PolarHBondContact O-N 3.36Å; A103-H105 VanDerWaalsContact C-N 3.31Å
106	L	98.5	Very high	95	Very high	4 Å²	4	37.7 Å²	37.7	2%	0.021	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	140.1	-170.8	-57	-178.2	0	0	0	109.8	L72 A73 A76 V84 W97 Y102	L72-L106 HydrophobicContact CD2-CD2 4.38Å; L72-L106 HydrophobicContact CG-CD1 4.23Å; L72-L106 HydrophobicContact CG-CD2 4.25Å; A73-L106 HydrophobicContact CB-CD1 4.15Å; A76-L106 HydrophobicContact CB-CD1 4.29Å; A76-L106 HydrophobicContact CB-CD2 3.73Å; A76-L106 HydrophobicContact CB-CG 4Å; V84-L106 HydrophobicContact CB-CD2 3.62Å; V84-L106 HydrophobicContact CG1-CD2 3.72Å; V84-L106 HydrophobicContact CG2-CD2 4.24Å; W97-L106 HydrophobicContact CB-CD1 3.65Å; Y102-L106 PolarHBondContact O-N 2.91Å
107	R	98.1	Very high	94.9	Very high	93 Å²	93	35.4 Å²	35.4	35%	0.351	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	115.2	174.7	-167.1	163.1	-177.9	97.4	6.9	111	V84 K85 L86 N109 G124 D127	V84-R107 PolarHBondContact O-N 2.92Å; K85-R107 CarbonylContact C-O 3.44Å; K85-R107 WeakPolarHBondContact CA-O 3.2Å; L86-R107 PolarHBondContact N-O 3.22Å; R107-N109 PolarHBondContact O-ND2 2.99Å; R107-N109 VanDerWaalsContact O-ND2 3.13Å; R107-G124 PolarHBondContact NH1-O 2.8Å; R107-G124 PolarHBondContact NH2-O 3.15Å; R107-D127 IonicContact CZ-OD1 2.79Å; R107-D127 IonicContact CZ-OD2 2.95Å; R107-D127 VanDerWaalsContact CZ-OD2 3.29Å; R107-D127 IonicContact NE-OD1 2.69Å; R107-D127 IonicContact NE-OD2 3.37Å; R107-D127 PolarHBondContact NE-OD2 3.14Å; R107-D127 VanDerWaalsContact NH2-CG 3.31Å; R107-D127 IonicContact NH2-OD1 3.07Å; R107-D127 PolarHBondContact NH2-OD1 2.99Å; R107-D127 IonicContact NH2-OD2 2.89Å; R107-D127 PolarHBondContact NH2-OD2 2.92Å; R107-D127 VanDerWaalsContact NH2-OD2 3.14Å
108	S	98.1	Very high	94.6	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	135.4	175.6	-89.4	0	0	0	0	111.5	L86 H88 W97 D127	L86-S108 CarbonylContact O-C 3.48Å; H88-S108 WeakPolarHBondContact NE2-CB 3.45Å; H88-S108 PolarHBondContact NE2-OG 2.62Å; W97-S108 PolarHBondContact NE1-OG 2.92Å; S108-D127 PolarHBondContact O-N 3.35Å
109	N	97.4	Very high	94.5	Very high	16 Å²	16	46.1 Å²	46.1	9%	0.086	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	98.7	176.5	-63.8	-95.2	0	0	0	107.4	L86 Y87 H88 R107 L111 L129	L86-N109 WeakPolarHBondContact O-CA 3.41Å; L86-N109 VanDerWaalsContact O-CB 3.32Å; L86-N109 WeakPolarHBondContact O-CB 3.09Å; L86-N109 PolarHBondContact O-N 2.91Å; L86-N109 PolarHBondContact O-ND2 2.77Å; Y87-N109 WeakPolarHBondContact CA-O 3.23Å; Y87-N109 HydrophobicContact CD1-CB 3.45Å; Y87-N109 VanDerWaalsContact CD1-CB 3.45Å; Y87-N109 HydrophobicContact CE1-CB 3.46Å; Y87-N109 VanDerWaalsContact CE1-CB 3.46Å; Y87-N109 HydrophobicContact CG-CB 4.16Å; H88-N109 PolarHBondContact N-O 2.84Å; R107-N109 PolarHBondContact O-ND2 2.99Å; R107-N109 VanDerWaalsContact O-ND2 3.13Å; N109-L111 PolarHBondContact O-N 3.09Å; N109-L129 HydrophobicContact CB-CD1 3.83Å
110	C	94.8	Very high	94.4	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	121.1	-177.6	-51.7	0	0	0	0	109.3	F112 I113 D127 C128 L129	C110-F112 VanDerWaalsContact C-N 3.28Å; C110-I113 HydrophobicContact CB-CB 4.13Å; C110-I113 HydrophobicContact CB-CG1 4.47Å; C110-D127 PolarHBondContact N-O 2.94Å; C110-D127 PolarHBondContact SG-O 3.2Å; C110-C128 HydrophobicContact CB-CB 4.3Å; C110-C128 CarbonylContact O-C 3.48Å; C110-C128 WeakPolarHBondContact O-CA 3.49Å; C110-L129 PolarHBondContact O-N 3.3Å
111	L	94	Very high	94.2	Very high	4 Å²	4	39.1 Å²	39.1	2%	0.021	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	-23.5	165.2	-56.2	-179.2	0	0	0	110.9	H88 I89 N109 L129 I131 T136 L139 F140	H88-L111 PolarHBondContact O-N 3.09Å; I89-L111 HydrophobicContact CG1-CB 3.93Å; I89-L111 HydrophobicContact CG1-CD1 4.37Å; N109-L111 PolarHBondContact O-N 3.09Å; L111-L129 HydrophobicContact CD2-CB 4.37Å; L111-L129 HydrophobicContact CD2-CD2 3.86Å; L111-I131 HydrophobicContact CD2-CG2 4.5Å; L111-T136 HydrophobicContact CB-CG2 4.05Å; L111-T136 HydrophobicContact CD1-CG2 4.19Å; L111-L139 HydrophobicContact CD2-CD1 3.75Å; L111-F140 HydrophobicContact CD1-CE2 4.13Å; L111-F140 HydrophobicContact CD1-CZ 3.86Å
112	F	90.6	Very high	94	Very high	37 Å²	37	41.1 Å²	41.1	16%	0.162	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	131.1	165	-169.6	-88	0	0	0	108.2	I89 H90 C110 I358	I89-F112 HydrophobicContact CG2-CB 3.9Å; H90-F112 HydrophobicContact CB-CD1 4.11Å; H90-F112 PolarHBondContact N-O 3.22Å; C110-F112 VanDerWaalsContact C-N 3.28Å; F112-I358 WeakPolarHBondContact CE2-O 3.15Å; F112-I358 HydrophobicContact CZ-CG2 4.11Å; F112-I358 WeakPolarHBondContact CZ-O 3.4Å
113	I	88.6	Confident	93.9	Very high	12 Å²	12	45.3 Å²	45.3	6%	0.062	23%	0.23	C	C	.	.			trans	-89.5	120.6	-170	-168.3	169.7	0	0	0	112.7	C110 L117 R118 V121	C110-I113 HydrophobicContact CB-CB 4.13Å; C110-I113 HydrophobicContact CB-CG1 4.47Å; I113-L117 HydrophobicContact CG1-CB 4.2Å; I113-R118 HydrophobicContact CD1-CB 4.41Å; I113-R118 HydrophobicContact CD1-CG 3.88Å; I113-R118 HydrophobicContact CG1-CG 4.04Å; I113-V121 HydrophobicContact CD1-CB 3.87Å; I113-V121 HydrophobicContact CD1-CG1 4.28Å; I113-V121 HydrophobicContact CD1-CG2 3.53Å
114	A	87.9	Confident	93.9	Very high	3 Å²	3	45.7 Å²	45.7	3%	0.025	24%	0.237	C	C	.	.			trans	-83.3	159.9	170.9	0	0	0	0	0	111.9	H90 L91 N116 L117 R118	H90-A114 HydrophobicContact CB-CB 4.42Å; L91-A114 WeakPolarHBondContact O-CB 3.31Å; A114-N116 VanDerWaalsContact C-N 3.3Å; A114-N116 WeakPolarHBondContact CB-OD1 3.48Å; A114-N116 PolarHBondContact O-N 3.44Å; A114-L117 PolarHBondContact O-N 3.28Å; A114-L117 VanDerWaalsContact O-N 3.1Å; A114-R118 PolarHBondContact O-N 2.77Å
115	G	87.7	Confident	93.9	Very high	49 Å²	49	41.3 Å²	41.3	51%	0.505	22%	0.217	S	C	.	.	H	α-helix	trans	-59.3	-35.9	-175.8	0	0	0	0	0	114.5	L117 R118	G115-L117 PolarHBondContact O-N 3.47Å; G115-R118 PolarHBondContact O-N 2.84Å
116	N	91.1	Very high	93.8	Very high	52 Å²	52	41.2 Å²	41.2	28%	0.278	22%	0.217	S	C	.	.	H	α-helix	trans	-64.7	-21.7	176.8	57.5	-11.3	0	0	0	114	L91 G93 A95 A114	L91-N116 PolarHBondContact O-ND2 2.89Å; L91-N116 PolarHBondContact O-OD1 2.91Å; G93-N116 PolarHBondContact O-ND2 3Å; A95-N116 HydrophobicContact CB-CB 4.49Å; A114-N116 VanDerWaalsContact C-N 3.3Å; A114-N116 WeakPolarHBondContact CB-OD1 3.48Å; A114-N116 PolarHBondContact O-N 3.44Å
117	L	93.3	Very high	93.6	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-100.3	-14.9	-178	-89.9	-76.8	0	0	0	113.3	A95 W97 V98 I113 A114 G115 Q119 A120 V121 A126	A95-L117 HydrophobicContact CB-CD2 3.42Å; A95-L117 VanDerWaalsContact CB-CD2 3.42Å; W97-L117 HydrophobicContact CZ2-CD2 4.4Å; V98-L117 HydrophobicContact CB-CD1 4.33Å; V98-L117 HydrophobicContact CG1-CD1 3.47Å; V98-L117 VanDerWaalsContact CG1-CD1 3.47Å; V98-L117 HydrophobicContact CG2-CD1 4.11Å; I113-L117 HydrophobicContact CG1-CB 4.2Å; A114-L117 PolarHBondContact O-N 3.28Å; A114-L117 VanDerWaalsContact O-N 3.1Å; G115-L117 PolarHBondContact O-N 3.47Å; L117-Q119 VanDerWaalsContact C-N 3.34Å; L117-Q119 PolarHBondContact O-N 2.93Å; L117-A120 PolarHBondContact O-N 2.92Å; L117-A120 VanDerWaalsContact O-N 3.13Å; L117-V121 PolarHBondContact O-N 2.84Å; L117-A126 HydrophobicContact CD1-CB 4.23Å
118	R	91.4	Very high	93.3	Very high	109 Å²	109	41.4 Å²	41.4	41%	0.411	23%	0.229	S	C	.	.	H	α-helix	trans	-56.6	-44	-176.3	-72.6	-178	-175.8	147.3	4.7	113.5	I113 A114 G115 V121 N122	I113-R118 HydrophobicContact CD1-CB 4.41Å; I113-R118 HydrophobicContact CD1-CG 3.88Å; I113-R118 HydrophobicContact CG1-CG 4.04Å; A114-R118 PolarHBondContact O-N 2.77Å; G115-R118 PolarHBondContact O-N 2.84Å; R118-V121 PolarHBondContact O-N 3.14Å; R118-N122 WeakPolarHBondContact O-CB 3.48Å; R118-N122 VanDerWaalsContact O-CG 3.23Å; R118-N122 PolarHBondContact O-N 2.92Å; R118-N122 PolarHBondContact O-ND2 2.98Å
119	Q	93.8	Very high	93	Very high	125 Å²	125	43.6 Å²	43.6	58%	0.584	24%	0.24	S	C	*	.	H	α-helix	trans	-62.9	-44.6	178.7	-177.6	179.6	-5.9	0	0	111.2	L117 V121 N122 E123	L117-Q119 VanDerWaalsContact C-N 3.34Å; L117-Q119 PolarHBondContact O-N 2.93Å; Q119-V121 VanDerWaalsContact C-N 3.31Å; Q119-V121 PolarHBondContact O-N 3.37Å; Q119-N122 PolarHBondContact O-N 3.16Å; Q119-E123 HydrophobicContact CG-CG 4.49Å; Q119-E123 WeakPolarHBondContact CG-OE1 3.46Å; Q119-E123 PolarHBondContact NE2-OE1 2.72Å; Q119-E123 WeakPolarHBondContact O-CB 3.2Å; Q119-E123 WeakPolarHBondContact O-CG 3.28Å; Q119-E123 PolarHBondContact O-N 3.28Å
120	A	95.4	Very high	92.7	Very high	2 Å²	2	47.3 Å²	47.3	2%	0.017	27%	0.267	C	S	.	.	H	α-helix	trans	-63.6	-37	179.3	0	0	0	0	0	112.3	V98 L117 E123 G124 R125 A126	V98-A120 HydrophobicContact CB-CB 3.84Å; V98-A120 HydrophobicContact CG1-CB 4.49Å; V98-A120 HydrophobicContact CG2-CB 3.73Å; L117-A120 PolarHBondContact O-N 2.92Å; L117-A120 VanDerWaalsContact O-N 3.13Å; A120-E123 PolarHBondContact O-N 3.01Å; A120-G124 PolarHBondContact O-N 3.12Å; A120-R125 HydrophobicContact CB-CB 4.28Å; A120-R125 WeakPolarHBondContact O-CA 3.44Å; A120-R125 PolarHBondContact O-N 3.21Å; A120-A126 HydrophobicContact CB-CB 4.07Å; A120-A126 PolarHBondContact O-N 3.23Å
121	V	93.2	Very high	92.6	Very high	35 Å²	35	48.5 Å²	48.5	21%	0.212	27%	0.274	C	S	.	.	H	α-helix	trans	-66.2	-47.1	173.8	173.9	0	0	0	0	111.3	I113 L117 R118 Q119 E123 G124 A126	I113-V121 HydrophobicContact CD1-CB 3.87Å; I113-V121 HydrophobicContact CD1-CG1 4.28Å; I113-V121 HydrophobicContact CD1-CG2 3.53Å; L117-V121 PolarHBondContact O-N 2.84Å; R118-V121 PolarHBondContact O-N 3.14Å; Q119-V121 VanDerWaalsContact C-N 3.31Å; Q119-V121 PolarHBondContact O-N 3.37Å; V121-E123 PolarHBondContact O-N 2.91Å; V121-G124 PolarHBondContact O-N 2.7Å; V121-A126 WeakPolarHBondContact CA-O 3.24Å; V121-A126 HydrophobicContact CG2-CB 3.77Å
122	N	92	Very high	92.5	Very high	141 Å²	141	51.7 Å²	51.7	75%	0.754	29%	0.287	S	S	*	.	H	α-helix	trans	-62.7	-26.8	178.8	-70.3	-17.1	0	0	0	113.2	R118 Q119	R118-N122 WeakPolarHBondContact O-CB 3.48Å; R118-N122 VanDerWaalsContact O-CG 3.23Å; R118-N122 PolarHBondContact O-N 2.92Å; R118-N122 PolarHBondContact O-ND2 2.98Å; Q119-N122 PolarHBondContact O-N 3.16Å
123	E	95.7	Very high	92.6	Very high	103 Å²	103	50 Å²	50	48%	0.481	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	4.2	175.6	-67.9	174.9	-164	0	0	113.5	Q119 A120 V121 R125	Q119-E123 HydrophobicContact CG-CG 4.49Å; Q119-E123 WeakPolarHBondContact CG-OE1 3.46Å; Q119-E123 PolarHBondContact NE2-OE1 2.72Å; Q119-E123 WeakPolarHBondContact O-CB 3.2Å; Q119-E123 WeakPolarHBondContact O-CG 3.28Å; Q119-E123 PolarHBondContact O-N 3.28Å; A120-E123 PolarHBondContact O-N 3.01Å; V121-E123 PolarHBondContact O-N 2.91Å; E123-R125 VanDerWaalsContact C-N 3.3Å; E123-R125 PolarHBondContact O-N 3.33Å; E123-R125 IonicContact OE1-NH2 2.68Å; E123-R125 IonicContact OE2-CZ 3.21Å; E123-R125 IonicContact OE2-NE 3.86Å; E123-R125 PolarHBondContact OE2-NE 3.45Å; E123-R125 IonicContact OE2-NH2 3.94Å; E123-R125 PolarHBondContact OE2-NH2 2.74Å
124	G	95	Very high	92.9	Very high	43 Å²	43	50.1 Å²	50.1	44%	0.443	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.4	11	177	0	0	0	0	0	115.7	R107 A120 V121	R107-G124 PolarHBondContact NH1-O 2.8Å; R107-G124 PolarHBondContact NH2-O 3.15Å; A120-G124 PolarHBondContact O-N 3.12Å; V121-G124 PolarHBondContact O-N 2.7Å
125	R	96.1	Very high	93.3	Very high	35 Å²	35	53.3 Å²	53.3	13%	0.132	30%	0.298	C	S	.	.	S	Bend	trans	-83.9	-23.5	178.6	-65	-175.8	-77.4	124	-5.8	113	V98 A103 A120 E123	V98-R125 VanDerWaalsContact C-NH1 3.32Å; V98-R125 PolarHBondContact O-NH1 3.42Å; A103-R125 HydrophobicContact CB-CG 4.26Å; A120-R125 HydrophobicContact CB-CB 4.28Å; A120-R125 WeakPolarHBondContact O-CA 3.44Å; A120-R125 PolarHBondContact O-N 3.21Å; E123-R125 VanDerWaalsContact C-N 3.3Å; E123-R125 PolarHBondContact O-N 3.33Å; E123-R125 IonicContact OE1-NH2 2.68Å; E123-R125 IonicContact OE2-CZ 3.21Å; E123-R125 IonicContact OE2-NE 3.86Å; E123-R125 PolarHBondContact OE2-NE 3.45Å; E123-R125 IonicContact OE2-NH2 3.94Å; E123-R125 PolarHBondContact OE2-NH2 2.74Å
126	A	96.7	Very high	93.7	Very high	2 Å²	2	51 Å²	51	2%	0.017	27%	0.274	C	S	.	.	S	Bend	trans	-134.3	166.4	176	0	0	0	0	0	110.4	V98 L117 A120 V121	V98-A126 HydrophobicContact CG1-CB 4.43Å; L117-A126 HydrophobicContact CD1-CB 4.23Å; A120-A126 HydrophobicContact CB-CB 4.07Å; A120-A126 PolarHBondContact O-N 3.23Å; V121-A126 WeakPolarHBondContact CA-O 3.24Å; V121-A126 HydrophobicContact CG2-CB 3.77Å
127	D	95.1	Very high	94	Very high	53 Å²	53	48.5 Å²	48.5	28%	0.283	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	158.7	178.7	-56.5	-63.8	0	0	0	111.4	R107 S108 C110	R107-D127 IonicContact CZ-OD1 2.79Å; R107-D127 IonicContact CZ-OD2 2.95Å; R107-D127 VanDerWaalsContact CZ-OD2 3.29Å; R107-D127 IonicContact NE-OD1 2.69Å; R107-D127 IonicContact NE-OD2 3.37Å; R107-D127 PolarHBondContact NE-OD2 3.14Å; R107-D127 VanDerWaalsContact NH2-CG 3.31Å; R107-D127 IonicContact NH2-OD1 3.07Å; R107-D127 PolarHBondContact NH2-OD1 2.99Å; R107-D127 IonicContact NH2-OD2 2.89Å; R107-D127 PolarHBondContact NH2-OD2 2.92Å; R107-D127 VanDerWaalsContact NH2-OD2 3.14Å; S108-D127 PolarHBondContact O-N 3.35Å; C110-D127 PolarHBondContact N-O 2.94Å; C110-D127 PolarHBondContact SG-O 3.2Å
128	C	91.5	Very high	94.1	Very high	49 Å²	49	49.6 Å²	49.6	33%	0.331	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	130	168.3	-170.1	0	0	0	0	108.7	C110	C110-C128 HydrophobicContact CB-CB 4.3Å; C110-C128 CarbonylContact O-C 3.48Å; C110-C128 WeakPolarHBondContact O-CA 3.49Å
129	L	92	Very high	94.4	Very high	46 Å²	46	45.3 Å²	45.3	24%	0.241	25%	0.252	C	S	.	.			trans	-85.5	134.3	178.8	-82	67.1	0	0	0	109.6	Y87 N109 C110 L111 I131 L139 I145	Y87-L129 HydrophobicContact CE1-CD2 4.47Å; N109-L129 HydrophobicContact CB-CD1 3.83Å; C110-L129 PolarHBondContact O-N 3.3Å; L111-L129 HydrophobicContact CD2-CB 4.37Å; L111-L129 HydrophobicContact CD2-CD2 3.86Å; L129-I131 HydrophobicContact CB-CG2 4.21Å; L129-I131 PolarHBondContact O-N 3.14Å; L129-L139 HydrophobicContact CD2-CD1 4.38Å; L129-I145 HydrophobicContact CD2-CD1 4.08Å
130	S	90.2	Very high	94.6	Very high	94 Å²	94	39.4 Å²	39.4	66%	0.657	23%	0.225	S	C	*	.			trans	-81.4	91.9	169.1	-54.2	0	0	0	0	109.3
131	I	92.4	Very high	94.5	Very high	25 Å²	25	42.3 Å²	42.3	13%	0.128	24%	0.235	C	C	.	.			trans	-145.6	142.7	-178.1	-167.2	170.8	0	0	0	110.7	L111 L129 D135 T136 L139 F360	L111-I131 HydrophobicContact CD2-CG2 4.5Å; L129-I131 HydrophobicContact CB-CG2 4.21Å; L129-I131 PolarHBondContact O-N 3.14Å; I131-D135 HydrophobicContact CD1-CB 3.88Å; I131-D135 HydrophobicContact CG1-CB 3.74Å; I131-T136 HydrophobicContact CD1-CG2 4.45Å; I131-T136 HydrophobicContact CG2-CG2 3.85Å; I131-L139 HydrophobicContact CD1-CD1 3.38Å; I131-L139 HydrophobicContact CD1-CD2 3.81Å; I131-L139 HydrophobicContact CD1-CG 3.54Å; I131-F360 WeakPolarHBondContact O-CB 3.48Å
132	F	92.5	Very high	94.6	Very high	70 Å²	70	47 Å²	47	31%	0.307	25%	0.249	S	C	.	.			trans	-68.8	146.9	170	-60.7	-54.3	0	0	0	110.4	S134 D135 T136 F360 V364	F132-S134 VanDerWaalsContact C-N 3.28Å; F132-S134 PolarHBondContact O-N 3.15Å; F132-D135 PolarHBondContact O-N 3.12Å; F132-T136 PolarHBondContact O-N 3.47Å; F132-F360 HydrophobicContact CD1-CD1 4.12Å; F132-F360 AromaticContact CE1-CD1 3.8Å; F132-F360 HydrophobicContact CE1-CD1 3.8Å; F132-F360 HydrophobicContact CE1-CE1 4.38Å; F132-V364 HydrophobicContact CD1-CB 3.99Å; F132-V364 HydrophobicContact CD1-CG1 4.4Å; F132-V364 HydrophobicContact CD1-CG2 4.36Å; F132-V364 HydrophobicContact CE1-CB 3.7Å; F132-V364 HydrophobicContact CE1-CG1 3.83Å; F132-V364 HydrophobicContact CE1-CG2 3.77Å; F132-V364 HydrophobicContact CZ-CG1 4.15Å
133	L	93.1	Very high	94.7	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.01	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-64.1	-38.1	-177	-170.4	66.8	0	0	0	112.2	I89 D135 T136 E270 F301 V323 G361	I89-L133 HydrophobicContact CD1-CD1 3.61Å; I89-L133 HydrophobicContact CG1-CD1 4.17Å; L133-D135 PolarHBondContact O-N 3.32Å; L133-T136 HydrophobicContact CD1-CG2 4.07Å; L133-T136 WeakPolarHBondContact O-CB 3.03Å; L133-T136 PolarHBondContact O-N 3.41Å; L133-T136 PolarHBondContact O-OG1 3.3Å; L133-E270 HydrophobicContact CD2-CG 3.39Å; L133-E270 WeakPolarHBondContact CD2-OE1 3.3Å; L133-E270 WeakPolarHBondContact CD2-OE2 3.47Å; L133-F301 HydrophobicContact CD2-CE1 4.17Å; L133-V323 HydrophobicContact CD2-CG2 3.6Å; L133-V323 HydrophobicContact CG-CG1 4.38Å; L133-V323 HydrophobicContact CG-CG2 3.58Å; L133-G361 PolarHBondContact N-O 2.81Å; L133-G361 VanDerWaalsContact N-O 3.13Å
134	S	95.1	Very high	94.8	Very high	15 Å²	15	44.2 Å²	44.2	11%	0.105	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-53.8	-30.2	172.2	54.2	0	0	0	0	114	F132 P137 D365	F132-S134 VanDerWaalsContact C-N 3.28Å; F132-S134 PolarHBondContact O-N 3.15Å; S134-P137 WeakPolarHBondContact O-CD 3.4Å; S134-D365 WeakPolarHBondContact CB-OD2 3.41Å; S134-D365 PolarHBondContact N-OD2 3.13Å; S134-D365 VanDerWaalsContact OG-CG 3.26Å; S134-D365 PolarHBondContact OG-OD1 3.41Å; S134-D365 PolarHBondContact OG-OD2 3.34Å
135	D	95.6	Very high	94.9	Very high	69 Å²	69	42.7 Å²	42.7	37%	0.369	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-87.6	-12.9	-179.7	-75.3	-37.8	0	0	0	113.4	I131 F132 L133 P137 I138	I131-D135 HydrophobicContact CD1-CB 3.88Å; I131-D135 HydrophobicContact CG1-CB 3.74Å; F132-D135 PolarHBondContact O-N 3.12Å; L133-D135 PolarHBondContact O-N 3.32Å; D135-P137 VanDerWaalsContact C-CD 3.48Å; D135-I138 WeakPolarHBondContact O-CB 3.4Å; D135-I138 PolarHBondContact O-N 2.97Å; D135-I138 VanDerWaalsContact O-N 3.13Å
136	T	96.4	Very high	94.9	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-59.8	-38.5	-177	59	0	0	0	0	114.2	L111 I131 F132 L133 I138 L139 C171	L111-T136 HydrophobicContact CB-CG2 4.05Å; L111-T136 HydrophobicContact CD1-CG2 4.19Å; I131-T136 HydrophobicContact CD1-CG2 4.45Å; I131-T136 HydrophobicContact CG2-CG2 3.85Å; F132-T136 PolarHBondContact O-N 3.47Å; L133-T136 HydrophobicContact CD1-CG2 4.07Å; L133-T136 WeakPolarHBondContact O-CB 3.03Å; L133-T136 PolarHBondContact O-N 3.41Å; L133-T136 PolarHBondContact O-OG1 3.3Å; T136-I138 VanDerWaalsContact C-N 3.26Å; T136-I138 PolarHBondContact O-N 3.1Å; T136-L139 WeakPolarHBondContact O-CB 3.38Å; T136-L139 PolarHBondContact O-N 3.37Å; T136-C171 WeakPolarHBondContact OG1-CB 3.2Å
137	P	97.4	Very high	95	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-64.6	-31.8	176.8	-26	41.2	0	0	0	113	S134 D135 L139 F140 R141 C171 A174 V323 E324	S134-P137 WeakPolarHBondContact O-CD 3.4Å; D135-P137 VanDerWaalsContact C-CD 3.48Å; P137-L139 VanDerWaalsContact C-N 3.26Å; P137-L139 PolarHBondContact O-N 3.27Å; P137-F140 PolarHBondContact O-N 2.93Å; P137-R141 WeakPolarHBondContact O-CG 3.2Å; P137-R141 PolarHBondContact O-N 2.91Å; P137-C171 HydrophobicContact CB-CB 4.5Å; P137-C171 HydrophobicContact CG-CB 3.89Å; P137-A174 HydrophobicContact CB-CB 3.64Å; P137-V323 HydrophobicContact CG-CG1 3.44Å; P137-V323 VanDerWaalsContact CG-CG1 3.44Å; P137-E324 HydrophobicContact CB-CB 4.14Å; P137-E324 HydrophobicContact CG-CB 3.89Å
138	I	96	Very high	95.2	Very high	24 Å²	24	42.4 Å²	42.4	12%	0.123	22%	0.218	C	C	.	.	H	α-helix	trans	-65.3	-31.7	-179.2	-65	176.2	0	0	0	111.1	D135 T136 F140 R142	D135-I138 WeakPolarHBondContact O-CB 3.4Å; D135-I138 PolarHBondContact O-N 2.97Å; D135-I138 VanDerWaalsContact O-N 3.13Å; T136-I138 VanDerWaalsContact C-N 3.26Å; T136-I138 PolarHBondContact O-N 3.1Å; I138-F140 PolarHBondContact O-N 2.8Å; I138-R142 HydrophobicContact CG2-CB 4.46Å; I138-R142 VanDerWaalsContact CG2-CD 3.42Å; I138-R142 HydrophobicContact CG2-CG 3.77Å; I138-R142 VanDerWaalsContact O-CB 3.32Å; I138-R142 WeakPolarHBondContact O-CB 3.21Å; I138-R142 PolarHBondContact O-N 2.81Å
139	L	97.2	Very high	95.5	Very high	19 Å²	19	40.2 Å²	40.2	10%	0.099	20%	0.203	C	C	.	.	H	α-helix	trans	-54.4	-43.9	174.9	-68.3	173.8	0	0	0	111.7	L111 L129 I131 T136 P137 I144 I145	L111-L139 HydrophobicContact CD2-CD1 3.75Å; L129-L139 HydrophobicContact CD2-CD1 4.38Å; I131-L139 HydrophobicContact CD1-CD1 3.38Å; I131-L139 HydrophobicContact CD1-CD2 3.81Å; I131-L139 HydrophobicContact CD1-CG 3.54Å; T136-L139 WeakPolarHBondContact O-CB 3.38Å; T136-L139 PolarHBondContact O-N 3.37Å; P137-L139 VanDerWaalsContact C-N 3.26Å; P137-L139 PolarHBondContact O-N 3.27Å; L139-I144 HydrophobicContact CD2-CB 4.31Å; L139-I144 HydrophobicContact CD2-CD1 4.38Å; L139-I144 HydrophobicContact CD2-CG2 4.07Å; L139-I144 PolarHBondContact O-N 3.27Å; L139-I145 HydrophobicContact CB-CD1 4.11Å; L139-I145 HydrophobicContact CD1-CD1 3.85Å; L139-I145 HydrophobicContact CD2-CD1 4.2Å; L139-I145 HydrophobicContact CG-CD1 4.28Å; L139-I145 PolarHBondContact O-N 3.18Å
140	F	97.4	Very high	95.8	Very high	1 Å²	1	38 Å²	38	0%	0.004	19%	0.192	C	C	.	.	H	α-helix	trans	-81.2	-50.6	-179.6	-52.3	-55.4	0	0	0	111.1	Y57 L111 P137 I138 R142 K143 I145 V147 C171 A174 A175 Q178	Y57-F140 HydrophobicContact CD2-CE1 4.19Å; Y57-F140 AromaticContact CD2-CE2 3.94Å; Y57-F140 HydrophobicContact CD2-CE2 3.94Å; Y57-F140 AromaticContact CD2-CZ 3.57Å; Y57-F140 HydrophobicContact CD2-CZ 3.57Å; Y57-F140 AromaticContact CE2-CE2 3.88Å; Y57-F140 HydrophobicContact CE2-CE2 3.88Å; Y57-F140 AromaticContact CE2-CZ 3.87Å; Y57-F140 HydrophobicContact CE2-CZ 3.87Å; L111-F140 HydrophobicContact CD1-CE2 4.13Å; L111-F140 HydrophobicContact CD1-CZ 3.86Å; P137-F140 PolarHBondContact O-N 2.93Å; I138-F140 PolarHBondContact O-N 2.8Å; F140-R142 VanDerWaalsContact C-N 3.28Å; F140-R142 PolarHBondContact O-N 2.86Å; F140-K143 WeakPolarHBondContact O-CA 3.42Å; F140-K143 PolarHBondContact O-N 3Å; F140-I145 HydrophobicContact CD1-CB 4.29Å; F140-I145 HydrophobicContact CD1-CG2 4.16Å; F140-I145 HydrophobicContact CE1-CB 4.3Å; F140-I145 HydrophobicContact CE1-CG2 3.89Å; F140-V147 HydrophobicContact CB-CG2 4.13Å; F140-V147 HydrophobicContact CD1-CG2 3.4Å; F140-V147 VanDerWaalsContact CD1-CG2 3.4Å; F140-V147 HydrophobicContact CE1-CG2 4.07Å; F140-V147 HydrophobicContact CG-CG2 3.98Å; F140-C171 HydrophobicContact CD2-CB 4.48Å; F140-C171 HydrophobicContact CE2-CB 4.13Å; F140-A174 HydrophobicContact CB-CB 4.35Å; F140-A174 HydrophobicContact CD2-CB 4.31Å; F140-A175 HydrophobicContact CD2-CB 4.22Å; F140-A175 HydrophobicContact CE2-CB 4.4Å; F140-A175 HydrophobicContact CG-CB 4.45Å; F140-Q178 HydrophobicContact CB-CG 4.45Å; F140-Q178 WeakPolarHBondContact O-CG 3.39Å
141	R	94.9	Very high	96.2	Very high	63 Å²	63	33.6 Å²	33.6	24%	0.238	16%	0.161	C	C	.	.	H	α-helix	trans	-56.9	-39.2	-177.9	-73.8	174.7	171.9	129.6	13.7	112.9	P137 K143 A174 Q177 D322 E324	P137-R141 WeakPolarHBondContact O-CG 3.2Å; P137-R141 PolarHBondContact O-N 2.91Å; R141-K143 VanDerWaalsContact C-N 3.31Å; R141-A174 HydrophobicContact CG-CB 4Å; R141-Q177 VanDerWaalsContact NH2-OE1 3.1Å; R141-D322 IonicContact CZ-OD1 2.66Å; R141-D322 IonicContact CZ-OD2 3.46Å; R141-D322 IonicContact NH1-OD1 3.44Å; R141-D322 PolarHBondContact NH1-OD1 3.07Å; R141-D322 IonicContact NH1-OD2 2.67Å; R141-D322 PolarHBondContact NH1-OD2 3.12Å; R141-D322 IonicContact NH2-OD1 2.71Å; R141-D322 IonicContact NH2-OD2 3.77Å; R141-D322 PolarHBondContact NH2-OD2 3.44Å; R141-E324 IonicContact CZ-OE2 3Å; R141-E324 IonicContact NH1-OE2 2.83Å; R141-E324 PolarHBondContact NH1-OE2 3.28Å
142	R	95.1	Very high	96.5	Very high	133 Å²	133	32.4 Å²	32.4	50%	0.502	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	3.9	177	-61.6	-171.3	-179	160.5	3.7	113.4	I17 I138 F140 I144	I17-R142 HydrophobicContact CG2-CG 4.07Å; I138-R142 HydrophobicContact CG2-CB 4.46Å; I138-R142 VanDerWaalsContact CG2-CD 3.42Å; I138-R142 HydrophobicContact CG2-CG 3.77Å; I138-R142 VanDerWaalsContact O-CB 3.32Å; I138-R142 WeakPolarHBondContact O-CB 3.21Å; I138-R142 PolarHBondContact O-N 2.81Å; F140-R142 VanDerWaalsContact C-N 3.28Å; F140-R142 PolarHBondContact O-N 2.86Å; R142-I144 HydrophobicContact CB-CD1 4.36Å; R142-I144 HydrophobicContact CB-CG1 4.14Å; R142-I144 PolarHBondContact O-N 3.02Å; R142-I144 VanDerWaalsContact O-N 3.14Å
143	K	93.9	Very high	96.8	Very high	74 Å²	74	29.4 Å²	29.4	32%	0.322	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	31.5	-178.9	-54.9	177	-177.3	171.1	0	112.7	A19 S20 F140 R141 Q178	A19-K143 HydrophobicContact CB-CD 3.73Å; A19-K143 VanDerWaalsContact CB-NZ 3.33Å; A19-K143 PolarHBondContact O-NZ 2.77Å; S20-K143 PolarHBondContact O-NZ 2.87Å; F140-K143 WeakPolarHBondContact O-CA 3.42Å; F140-K143 PolarHBondContact O-N 3Å; R141-K143 VanDerWaalsContact C-N 3.31Å; K143-Q178 VanDerWaalsContact CE-OE1 3.24Å
144	I	96.7	Very high	97.1	Very high	111 Å²	111	29.3 Å²	29.3	57%	0.569	14%	0.141	S	C	*	.	S	Bend	trans	-63.4	-42.8	167.7	-62.1	171.9	0	0	0	107.8	L139 R142	L139-I144 HydrophobicContact CD2-CB 4.31Å; L139-I144 HydrophobicContact CD2-CD1 4.38Å; L139-I144 HydrophobicContact CD2-CG2 4.07Å; L139-I144 PolarHBondContact O-N 3.27Å; R142-I144 HydrophobicContact CB-CD1 4.36Å; R142-I144 HydrophobicContact CB-CG1 4.14Å; R142-I144 PolarHBondContact O-N 3.02Å; R142-I144 VanDerWaalsContact O-N 3.14Å
145	I	96.8	Very high	97.3	Very high	11 Å²	11	28.8 Å²	28.8	6%	0.056	14%	0.138	C	C	.	.	S	Bend	trans	-112.1	111.9	164.6	-69.4	158.2	0	0	0	107.2	Y87 L129 L139 F140	Y87-I145 HydrophobicContact CD1-CD1 3.66Å; Y87-I145 HydrophobicContact CD1-CG1 4.44Å; Y87-I145 HydrophobicContact CD1-CG2 4.18Å; Y87-I145 HydrophobicContact CD2-CG2 3.61Å; Y87-I145 HydrophobicContact CE1-CD1 3.32Å; Y87-I145 HydrophobicContact CE1-CG1 3.85Å; Y87-I145 HydrophobicContact CE1-CG2 4.08Å; Y87-I145 HydrophobicContact CE2-CG2 3.47Å; Y87-I145 VanDerWaalsContact CE2-CG2 3.47Å; Y87-I145 HydrophobicContact CG-CD1 4.49Å; Y87-I145 HydrophobicContact CG-CG2 3.95Å; L129-I145 HydrophobicContact CD2-CD1 4.08Å; L139-I145 HydrophobicContact CB-CD1 4.11Å; L139-I145 HydrophobicContact CD1-CD1 3.85Å; L139-I145 HydrophobicContact CD2-CD1 4.2Å; L139-I145 HydrophobicContact CG-CD1 4.28Å; L139-I145 PolarHBondContact O-N 3.18Å; F140-I145 HydrophobicContact CD1-CB 4.29Å; F140-I145 HydrophobicContact CD1-CG2 4.16Å; F140-I145 HydrophobicContact CE1-CB 4.3Å; F140-I145 HydrophobicContact CE1-CG2 3.89Å
146	P	97.2	Very high	97.4	Very high	55 Å²	55	27.7 Å²	27.7	36%	0.357	13%	0.134	S	C	.	.			trans	-66.2	150.5	171.7	29.3	-33.3	0	0	0	110	C55	C55-P146 HydrophobicContact CB-CG 4.33Å; C55-P146 WeakPolarHBondContact CB-O 3.4Å
147	V	98.4	Very high	97.5	Very high	5 Å²	5	29.7 Å²	29.7	3%	0.03	15%	0.147	C	C	.	.			trans	-112.6	93.6	173.7	-173.5	0	0	0	0	107.5	F140 A150 A175 Q178 A179 K180	F140-V147 HydrophobicContact CB-CG2 4.13Å; F140-V147 HydrophobicContact CD1-CG2 3.4Å; F140-V147 VanDerWaalsContact CD1-CG2 3.4Å; F140-V147 HydrophobicContact CE1-CG2 4.07Å; F140-V147 HydrophobicContact CG-CG2 3.98Å; V147-A150 HydrophobicContact CG1-CB 4.23Å; V147-A175 HydrophobicContact CG2-CB 4.44Å; V147-Q178 HydrophobicContact CG2-CB 4.4Å; V147-A179 HydrophobicContact CG1-CB 3.85Å; V147-A179 WeakPolarHBondContact O-CA 3.34Å; V147-K180 PolarHBondContact O-N 2.61Å
148	D	98.6	Very high	97.5	Very high	25 Å²	25	32.4 Å²	32.4	13%	0.134	16%	0.162	C	C	.	.	S	Bend	trans	-74.8	-42.2	178.5	-61.3	-59	0	0	0	110.1	D54 C55 K180 F181	D54-D148 HydrophobicContact CB-CB 4.02Å; C55-D148 PolarHBondContact N-OD2 3.04Å; C55-D148 PolarHBondContact O-N 2.84Å; D148-K180 WeakPolarHBondContact O-CB 3.2Å; D148-K180 WeakPolarHBondContact OD1-CE 3.44Å; D148-K180 IonicContact OD1-NZ 2.82Å; D148-K180 PolarHBondContact OD1-NZ 2.9Å; D148-F181 PolarHBondContact O-N 2.91Å; D148-F181 VanDerWaalsContact O-N 3.07Å
149	V	98.8	Very high	97.6	Very high	3 Å²	3	39.5 Å²	39.5	2%	0.018	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	139.3	176.3	-176.1	0	0	0	0	109.9	V50 C55 V56 Y57 F181 I183	V50-V149 HydrophobicContact CG2-CB 4.49Å; V50-V149 HydrophobicContact CG2-CG1 4.26Å; V50-V149 HydrophobicContact CG2-CG2 4.16Å; C55-V149 PolarHBondContact O-N 3.47Å; V56-V149 CarbonylContact C-O 3.52Å; V56-V149 VanDerWaalsContact CA-O 3.24Å; V56-V149 WeakPolarHBondContact CA-O 3.48Å; V56-V149 HydrophobicContact CG1-CB 4.28Å; V56-V149 HydrophobicContact CG1-CG1 4.42Å; V56-V149 HydrophobicContact CG2-CB 4.27Å; Y57-V149 PolarHBondContact N-O 3.26Å; V149-F181 CarbonylContact C-O 3.52Å; V149-F181 VanDerWaalsContact CA-O 3.26Å; V149-F181 WeakPolarHBondContact CA-O 3.39Å; V149-F181 HydrophobicContact CG2-CB 4.37Å; V149-I183 HydrophobicContact CG1-CD1 3.7Å; V149-I183 HydrophobicContact CG1-CG1 4.02Å
150	A	98.8	Very high	97.5	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	128.9	166.8	0	0	0	0	0	110	Y57 V147 L152 A179 F181 I182 I183	Y57-A150 HydrophobicContact CD1-CB 4.48Å; Y57-A150 WeakPolarHBondContact O-CA 3.39Å; V147-A150 HydrophobicContact CG1-CB 4.23Å; A150-L152 HydrophobicContact CB-CD2 4.41Å; A150-A179 HydrophobicContact CB-CB 3.75Å; A150-F181 PolarHBondContact N-O 2.97Å; A150-I182 HydrophobicContact CB-CG1 4.44Å; A150-I183 PolarHBondContact O-N 3.43Å
151	M	98.9	Very high	97.6	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	115.5	174.9	-67.2	-177	174	0	0	109.6	V47 V50 V56 Y57 H59 P65 L68 L72 I183	V47-M151 HydrophobicContact CG1-CE 4.01Å; V50-M151 HydrophobicContact CG2-CE 3.92Å; V56-M151 HydrophobicContact CG1-CE 4.16Å; V56-M151 HydrophobicContact CG1-CG 4Å; V56-M151 HydrophobicContact CG1-SD 4.05Å; Y57-M151 PolarHBondContact O-N 3.39Å; H59-M151 WeakPolarHBondContact CB-O 3.41Å; H59-M151 PolarHBondContact N-O 3.48Å; P65-M151 HydrophobicContact CG-CB 4.09Å; L68-M151 HydrophobicContact CB-SD 3.98Å; L68-M151 HydrophobicContact CD1-CB 4.16Å; L68-M151 HydrophobicContact CD1-CG 4.31Å; L72-M151 HydrophobicContact CB-CE 4.22Å; L72-M151 HydrophobicContact CD1-CE 4.48Å; L72-M151 HydrophobicContact CD2-CE 3.83Å; L72-M151 HydrophobicContact CD2-SD 4.37Å; L72-M151 HydrophobicContact CG-CE 4.39Å; M151-I183 WeakPolarHBondContact CA-O 3.41Å; M151-I183 HydrophobicContact CE-CD1 4.05Å; M151-I183 HydrophobicContact CG-CB 4.47Å; M151-I183 HydrophobicContact CG-CD1 4.43Å
152	L	98.8	Very high	97.8	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	141.6	-171.5	-50.8	174.4	0	0	0	111.5	Y57 H59 A150 V154 L165 T172 V176 I182 I183 A184 I185 L199	Y57-L152 HydrophobicContact CD1-CD2 4.37Å; Y57-L152 HydrophobicContact CE1-CD2 4.39Å; H59-L152 HydrophobicContact CB-CD2 4.18Å; A150-L152 HydrophobicContact CB-CD2 4.41Å; L152-V154 HydrophobicContact CB-CG1 3.93Å; L152-L165 HydrophobicContact CD1-CD2 4.47Å; L152-T172 HydrophobicContact CD2-CG2 3.69Å; L152-V176 HydrophobicContact CD1-CG2 3.65Å; L152-V176 HydrophobicContact CD2-CG2 4.17Å; L152-I182 HydrophobicContact CD1-CG2 3.65Å; L152-I182 HydrophobicContact CG-CG2 4.38Å; L152-I183 PolarHBondContact N-O 2.94Å; L152-A184 CarbonylContact O-C 3.54Å; L152-A184 WeakPolarHBondContact O-CA 3.4Å; L152-I185 PolarHBondContact O-N 3.45Å; L152-L199 HydrophobicContact CD1-CD2 3.82Å
153	T	98.8	Very high	97.9	Very high	7 Å²	7	39.1 Å²	39.1	4%	0.043	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	123.8	157.1	-49.1	0	0	0	0	108.8	H59 L63 I185 N187 V190	H59-T153 PolarHBondContact CE1-O 3.1Å; H59-T153 PolarHBondContact ND1-N 2.92Å; H59-T153 PolarHBondContact ND1-O 3.1Å; L63-T153 HydrophobicContact CD2-CG2 4.31Å; L63-T153 VanDerWaalsContact O-CB 3.24Å; L63-T153 WeakPolarHBondContact O-CB 3.32Å; L63-T153 PolarHBondContact O-OG1 3.42Å; T153-I185 HydrophobicContact CG2-CB 4.33Å; T153-I185 HydrophobicContact CG2-CG2 4.4Å; T153-N187 HydrophobicContact CG2-CB 4.02Å; T153-V190 HydrophobicContact CG2-CG2 3.84Å
154	V	98.9	Very high	98.2	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	162	-173.1	-60.5	0	0	0	0	111.1	L152 C163 S164 L165 A184 I185 A186 N187	L152-V154 HydrophobicContact CB-CG1 3.93Å; V154-C163 HydrophobicContact CB-CB 3.98Å; V154-C163 HydrophobicContact CG2-CB 3.84Å; V154-S164 CarbonylContact C-O 3.41Å; V154-S164 VanDerWaalsContact CA-O 3.25Å; V154-S164 WeakPolarHBondContact CA-O 3.36Å; V154-S164 VanDerWaalsContact CB-O 3.3Å; V154-S164 WeakPolarHBondContact CB-O 3.39Å; V154-L165 HydrophobicContact CG1-CD2 3.96Å; V154-A184 HydrophobicContact CG2-CB 4.04Å; V154-I185 PolarHBondContact N-O 3.21Å; V154-I185 VanDerWaalsContact O-O 3.13Å; V154-A186 WeakPolarHBondContact O-CA 3.44Å; V154-N187 PolarHBondContact O-N 3.1Å
155	S	98.7	Very high	98.3	Very high	4 Å²	4	30.6 Å²	30.6	3%	0.028	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-63.6	156.1	169.5	81	0	0	0	0	110.5	C163 S164 V190 R192	S155-C163 VanDerWaalsContact O-CB 3.3Å; S155-C163 WeakPolarHBondContact O-CB 2.97Å; S155-C163 PolarHBondContact O-SG 3.4Å; S155-S164 PolarHBondContact N-O 2.8Å; S155-S164 PolarHBondContact OG-N 2.87Å; S155-V190 WeakPolarHBondContact CB-O 3.47Å; S155-R192 PolarHBondContact OG-NH2 3.37Å
156	P	98.5	Very high	98.3	Very high	46 Å²	46	30 Å²	30	30%	0.299	16%	0.16	S	C	.	.	P	Polyproline II helix	trans	-55.6	151.4	166.4	-22.5	34.6	0	0	0	110.8	N187 P188 R192	P156-N187 WeakPolarHBondContact CD-O 3.45Å; P156-P188 HydrophobicContact CG-CB 4.18Å; P156-R192 PolarHBondContact O-NH2 3.27Å
157	P	98.3	Very high	98.4	Very high	42 Å²	42	27.4 Å²	27.4	27%	0.273	14%	0.143	S	C	.	.	P	Polyproline II helix	trans	-61.6	138.4	173.7	26	-32.9	0	0	0	110.2	F162 Q201	P157-F162 WeakPolarHBondContact CA-O 3.18Å; P157-Q201 HydrophobicContact CB-CB 4.32Å
158	D	97.2	Very high	98.4	Very high	58 Å²	58	27.2 Å²	27.2	31%	0.31	14%	0.142	S	C	.	.			trans	-77	-175.6	169.3	61.6	24.3	0	0	0	111.9	K160 G161 F162 R192	D158-K160 PolarHBondContact O-N 3.26Å; D158-K160 VanDerWaalsContact OD1-C 3.28Å; D158-K160 VanDerWaalsContact OD1-CA 3.28Å; D158-K160 WeakPolarHBondContact OD1-CA 3.28Å; D158-K160 WeakPolarHBondContact OD1-CB 3.49Å; D158-K160 PolarHBondContact OD1-N 2.8Å; D158-G161 WeakPolarHBondContact O-CA 3.3Å; D158-G161 PolarHBondContact O-N 2.95Å; D158-G161 PolarHBondContact OD1-N 3.4Å; D158-F162 PolarHBondContact N-O 2.88Å; D158-F162 PolarHBondContact OD1-N 3.04Å; D158-R192 IonicContact OD2-CZ 3.92Å; D158-R192 IonicContact OD2-NH1 2.65Å; D158-R192 PolarHBondContact OD2-NH1 3.23Å
159	D	97.1	Very high	98.3	Very high	172 Å²	172	26 Å²	26	92%	0.92	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-15.8	177.7	-65.1	-14	0	0	0	113.8
160	K	96.9	Very high	98.2	Very high	158 Å²	158	25.9 Å²	25.9	69%	0.687	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.5	3.1	175.7	-57.1	-54.1	-178.7	-169.5	0	112.4	D158 F162 H200	D158-K160 PolarHBondContact O-N 3.26Å; D158-K160 VanDerWaalsContact OD1-C 3.28Å; D158-K160 VanDerWaalsContact OD1-CA 3.28Å; D158-K160 WeakPolarHBondContact OD1-CA 3.28Å; D158-K160 WeakPolarHBondContact OD1-CB 3.49Å; D158-K160 PolarHBondContact OD1-N 2.8Å; K160-F162 HydrophobicContact CB-CD2 3.81Å; K160-F162 HydrophobicContact CB-CE2 4.17Å; K160-H200 PolarHBondContact O-CD2 2.89Å; K160-H200 PolarHBondContact O-NE2 3.31Å
161	G	98	Very high	98.1	Very high	3 Å²	3	25.9 Å²	25.9	3%	0.031	14%	0.135	C	C	.	.	S	Bend	trans	82.9	10.5	178.4	0	0	0	0	0	114.4	D158 H200 Q201	D158-G161 WeakPolarHBondContact O-CA 3.3Å; D158-G161 PolarHBondContact O-N 2.95Å; D158-G161 PolarHBondContact OD1-N 3.4Å; G161-H200 PolarHBondContact O-CD2 3.36Å; G161-Q201 WeakPolarHBondContact O-CB 3.32Å; G161-Q201 WeakPolarHBondContact O-CG 3.48Å; G161-Q201 PolarHBondContact O-N 2.64Å
162	F	98.6	Very high	98.1	Very high	48 Å²	48	25.9 Å²	25.9	21%	0.211	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	124.2	-179.4	-71.1	-83.9	0	0	0	112	F30 P32 P157 D158 K160 R192 A198 H200	F30-F162 WeakPolarHBondContact O-CE1 3.34Å; F30-F162 WeakPolarHBondContact O-CZ 3.16Å; P32-F162 HydrophobicContact CG-CZ 4.36Å; P157-F162 WeakPolarHBondContact CA-O 3.18Å; D158-F162 PolarHBondContact N-O 2.88Å; D158-F162 PolarHBondContact OD1-N 3.04Å; K160-F162 HydrophobicContact CB-CD2 3.81Å; K160-F162 HydrophobicContact CB-CE2 4.17Å; F162-R192 PolarHBondContact O-NH1 3.21Å; F162-R192 PolarHBondContact O-NH2 3.47Å; F162-A198 HydrophobicContact CD1-CB 4.16Å; F162-H200 HydrophobicContact CD1-CB 3.9Å; F162-H200 HydrophobicContact CE1-CB 3.68Å; F162-H200 HydrophobicContact CZ-CB 4.27Å
163	C	98.7	Very high	98	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	160.2	161.4	-54.1	0	0	0	0	109.5	V154 S155 L199	V154-C163 HydrophobicContact CB-CB 3.98Å; V154-C163 HydrophobicContact CG2-CB 3.84Å; S155-C163 VanDerWaalsContact O-CB 3.3Å; S155-C163 WeakPolarHBondContact O-CB 2.97Å; S155-C163 PolarHBondContact O-SG 3.4Å; C163-L199 WeakPolarHBondContact CB-O 3.28Å; C163-L199 PolarHBondContact N-O 2.84Å; C163-L199 PolarHBondContact O-N 3.14Å
164	S	98.8	Very high	98	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.007	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	138.4	169.9	-172.8	0	0	0	0	110.4	V154 S155 G166 T193 G197	V154-S164 CarbonylContact C-O 3.41Å; V154-S164 VanDerWaalsContact CA-O 3.25Å; V154-S164 WeakPolarHBondContact CA-O 3.36Å; V154-S164 VanDerWaalsContact CB-O 3.3Å; V154-S164 WeakPolarHBondContact CB-O 3.39Å; S155-S164 PolarHBondContact N-O 2.8Å; S155-S164 PolarHBondContact OG-N 2.87Å; S164-G166 PolarHBondContact O-N 3.44Å; S164-G166 PolarHBondContact OG-N 3.41Å; S164-G166 VanDerWaalsContact OG-N 3.08Å; S164-T193 PolarHBondContact OG-N 2.88Å; S164-T193 VanDerWaalsContact OG-N 3.08Å; S164-T193 PolarHBondContact OG-OG1 3.25Å; S164-G197 CarbonylContact C-O 3.57Å; S164-G197 WeakPolarHBondContact CA-O 3.28Å
165	L	98.7	Very high	98	Very high	4 Å²	4	26.7 Å²	26.7	2%	0.021	14%	0.137	C	C	.	.			trans	-69	-6.9	165.7	-60.3	-178.1	0	0	0	111.9	H59 L63 L152 V154 T167 S168 V169 T172 V176 G197	H59-L165 PolarHBondContact CE1-O 2.85Å; L63-L165 WeakPolarHBondContact CD1-O 3.47Å; L152-L165 HydrophobicContact CD1-CD2 4.47Å; V154-L165 HydrophobicContact CG1-CD2 3.96Å; L165-T167 PolarHBondContact O-N 3.4Å; L165-S168 WeakPolarHBondContact CB-O 3.43Å; L165-S168 PolarHBondContact O-N 3.33Å; L165-V169 HydrophobicContact CB-CG2 4.26Å; L165-V169 HydrophobicContact CD1-CG1 4.46Å; L165-T172 HydrophobicContact CD1-CG2 3.9Å; L165-T172 HydrophobicContact CD2-CG2 3.96Å; L165-T172 HydrophobicContact CG-CG2 4.49Å; L165-V176 HydrophobicContact CD2-CG2 4.48Å; L165-G197 PolarHBondContact N-O 3.39Å
166	G	98.4	Very high	97.9	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	-120	169.5	0	0	0	0	0	114.6	S164 S168 P191 T193	S164-G166 PolarHBondContact O-N 3.44Å; S164-G166 PolarHBondContact OG-N 3.41Å; S164-G166 VanDerWaalsContact OG-N 3.08Å; G166-S168 VanDerWaalsContact C-N 3.3Å; G166-S168 PolarHBondContact O-N 3.11Å; G166-P191 WeakPolarHBondContact CA-O 3.3Å; G166-T193 WeakPolarHBondContact O-CG2 3.28Å; G166-T193 PolarHBondContact O-OG1 2.73Å; G166-T193 VanDerWaalsContact O-OG1 3.12Å
167	T	98.1	Very high	97.9	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-8	-171.6	64.6	0	0	0	0	114.3	L63 L165 P191 F301 A302 Y309 M312	L63-T167 WeakPolarHBondContact CG-OG1 3.49Å; L165-T167 PolarHBondContact O-N 3.4Å; T167-P191 HydrophobicContact CG2-CG 3.52Å; T167-F301 CarbonylContact O-C 3.53Å; T167-F301 VanDerWaalsContact O-C 3.29Å; T167-F301 WeakPolarHBondContact O-CA 3.37Å; T167-F301 VanDerWaalsContact O-CB 3.31Å; T167-F301 WeakPolarHBondContact O-CB 3.1Å; T167-A302 PolarHBondContact O-N 3.49Å; T167-Y309 HydrophobicContact CG2-CD1 3.5Å; T167-Y309 VanDerWaalsContact CG2-CD1 3.5Å; T167-Y309 HydrophobicContact CG2-CE1 3.63Å; T167-Y309 HydrophobicContact CG2-CG 4.29Å; T167-M312 HydrophobicContact CG2-CE 3.94Å; T167-M312 HydrophobicContact CG2-SD 3.97Å
168	S	98.1	Very high	97.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.129	C	C	.	.	B	Isolated β-bridge	trans	-133.4	108.1	177.3	-124.2	0	0	0	0	110.1	H59 L165 G166 D170 F301	H59-S168 WeakPolarHBondContact NE2-CB 3.09Å; H59-S168 PolarHBondContact NE2-O 2.89Å; L165-S168 WeakPolarHBondContact CB-O 3.43Å; L165-S168 PolarHBondContact O-N 3.33Å; G166-S168 VanDerWaalsContact C-N 3.3Å; G166-S168 PolarHBondContact O-N 3.11Å; S168-D170 WeakPolarHBondContact CB-OD2 3.4Å; S168-D170 PolarHBondContact OG-OD2 3.37Å; S168-F301 WeakPolarHBondContact OG-CB 3.22Å
169	V	98.3	Very high	97.8	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.116	C	C	.	.			trans	-102.7	-47.5	171.3	177.8	0	0	0	0	109.6	L165 C171 T172 R173 D196 A300 M320	L165-V169 HydrophobicContact CB-CG2 4.26Å; L165-V169 HydrophobicContact CD1-CG1 4.46Å; V169-C171 PolarHBondContact O-N 2.86Å; V169-T172 WeakPolarHBondContact O-CA 3.4Å; V169-T172 WeakPolarHBondContact O-CB 3.49Å; V169-T172 PolarHBondContact O-N 3.19Å; V169-R173 HydrophobicContact CG1-CB 4.17Å; V169-R173 PolarHBondContact O-N 2.88Å; V169-R173 VanDerWaalsContact O-N 3.08Å; V169-D196 HydrophobicContact CG1-CB 4.22Å; V169-A300 PolarHBondContact N-O 3.1Å; V169-M320 HydrophobicContact CG2-CB 3.64Å
170	D	95.6	Very high	97.8	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	31.1	-124.7	168.9	59.3	45.1	0	0	0	115.4	Y57 I89 S168 T172 A300 F301 V323	Y57-D170 PolarHBondContact OH-OD1 2.98Å; I89-D170 HydrophobicContact CD1-CB 4.02Å; S168-D170 WeakPolarHBondContact CB-OD2 3.4Å; S168-D170 PolarHBondContact OG-OD2 3.37Å; D170-T172 WeakPolarHBondContact OD1-CB 3.37Å; D170-T172 PolarHBondContact OD1-N 3.27Å; D170-T172 PolarHBondContact OD1-OG1 3.14Å; D170-A300 PolarHBondContact N-O 2.88Å; D170-F301 HydrophobicContact CB-CD1 4.07Å; D170-V323 PolarHBondContact O-N 3.41Å; D170-V323 VanDerWaalsContact O-N 3.09Å
171	C	97.2	Very high	97.9	Very high	0 Å²	0	14 Å²	14	0%	0	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-3.8	168.7	71.2	0	0	0	0	112.7	I89 T136 P137 F140 V169 R173 A174 A175 V323	I89-C171 HydrophobicContact CD1-CB 4.22Å; I89-C171 WeakPolarHBondContact CD1-SG 3.43Å; T136-C171 WeakPolarHBondContact OG1-CB 3.2Å; P137-C171 HydrophobicContact CB-CB 4.5Å; P137-C171 HydrophobicContact CG-CB 3.89Å; F140-C171 HydrophobicContact CD2-CB 4.48Å; F140-C171 HydrophobicContact CE2-CB 4.13Å; V169-C171 PolarHBondContact O-N 2.86Å; C171-R173 VanDerWaalsContact C-N 3.25Å; C171-R173 PolarHBondContact O-N 3.06Å; C171-A174 WeakPolarHBondContact O-CB 3.29Å; C171-A174 PolarHBondContact O-N 3.16Å; C171-A174 VanDerWaalsContact O-N 3.08Å; C171-A175 PolarHBondContact O-N 2.83Å; C171-V323 HydrophobicContact CB-CG1 4.24Å
172	T	98.5	Very high	97.9	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-55.2	-42.7	175.9	-58	0	0	0	0	110.5	Y57 H59 L152 L165 V169 D170 A174 A175 V176	Y57-T172 HydrophobicContact CE1-CG2 3.89Å; Y57-T172 VanDerWaalsContact OH-CA 3.31Å; Y57-T172 WeakPolarHBondContact OH-CA 3.32Å; Y57-T172 PolarHBondContact OH-N 3.28Å; Y57-T172 PolarHBondContact OH-OG1 3.44Å; H59-T172 PolarHBondContact CD2-OG1 3.1Å; L152-T172 HydrophobicContact CD2-CG2 3.69Å; L165-T172 HydrophobicContact CD1-CG2 3.9Å; L165-T172 HydrophobicContact CD2-CG2 3.96Å; L165-T172 HydrophobicContact CG-CG2 4.49Å; V169-T172 WeakPolarHBondContact O-CA 3.4Å; V169-T172 WeakPolarHBondContact O-CB 3.49Å; V169-T172 PolarHBondContact O-N 3.19Å; D170-T172 WeakPolarHBondContact OD1-CB 3.37Å; D170-T172 PolarHBondContact OD1-N 3.27Å; D170-T172 PolarHBondContact OD1-OG1 3.14Å; T172-A174 VanDerWaalsContact C-N 3.32Å; T172-A174 PolarHBondContact O-N 2.94Å; T172-A175 WeakPolarHBondContact O-CB 3.42Å; T172-A175 PolarHBondContact O-N 3.06Å; T172-A175 VanDerWaalsContact O-N 3.11Å; T172-V176 HydrophobicContact CG2-CG2 4.2Å; T172-V176 VanDerWaalsContact O-CG2 3.3Å; T172-V176 WeakPolarHBondContact O-CG2 3.42Å; T172-V176 PolarHBondContact O-N 2.78Å
173	R	97.6	Very high	98	Very high	24 Å²	24	11.8 Å²	11.8	9%	0.091	5%	0.054	C	C	.	.	H	α-helix	trans	-55.3	-47.1	175.6	176.8	171.6	179	77	9.4	112.1	E28 F30 V169 C171 A175 V176 Q177 D196	E28-R173 VanDerWaalsContact CD-NH2 3.3Å; E28-R173 IonicContact OE1-CZ 3.72Å; E28-R173 IonicContact OE1-NH1 3.14Å; E28-R173 IonicContact OE1-NH2 3.84Å; E28-R173 PolarHBondContact OE1-NH2 2.87Å; E28-R173 IonicContact OE2-NH2 2.79Å; E28-R173 PolarHBondContact OE2-NH2 2.9Å; F30-R173 VanDerWaalsContact CE2-NH1 3.32Å; V169-R173 HydrophobicContact CG1-CB 4.17Å; V169-R173 PolarHBondContact O-N 2.88Å; V169-R173 VanDerWaalsContact O-N 3.08Å; C171-R173 VanDerWaalsContact C-N 3.25Å; C171-R173 PolarHBondContact O-N 3.06Å; R173-A175 VanDerWaalsContact C-N 3.33Å; R173-A175 PolarHBondContact O-N 3.26Å; R173-V176 PolarHBondContact O-N 3.21Å; R173-Q177 VanDerWaalsContact O-CG 3.32Å; R173-Q177 WeakPolarHBondContact O-CG 3.43Å; R173-Q177 PolarHBondContact O-N 2.76Å; R173-D196 PolarHBondContact NH1-O 3.38Å
174	A	98	Very high	98	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-65.1	-37.1	177.6	0	0	0	0	0	112.6	P137 F140 R141 C171 T172 Q177 Q178	P137-A174 HydrophobicContact CB-CB 3.64Å; F140-A174 HydrophobicContact CB-CB 4.35Å; F140-A174 HydrophobicContact CD2-CB 4.31Å; R141-A174 HydrophobicContact CG-CB 4Å; C171-A174 WeakPolarHBondContact O-CB 3.29Å; C171-A174 PolarHBondContact O-N 3.16Å; C171-A174 VanDerWaalsContact O-N 3.08Å; T172-A174 VanDerWaalsContact C-N 3.32Å; T172-A174 PolarHBondContact O-N 2.94Å; A174-Q177 PolarHBondContact O-N 3.08Å; A174-Q178 WeakPolarHBondContact O-CG 3.46Å; A174-Q178 PolarHBondContact O-N 3.11Å
175	A	98.2	Very high	98	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-64.5	-44.8	174.7	0	0	0	0	0	111.8	Y57 F140 V147 C171 T172 R173 Q177 Q178 A179	Y57-A175 HydrophobicContact CD1-CB 3.47Å; Y57-A175 VanDerWaalsContact CD1-CB 3.47Å; Y57-A175 HydrophobicContact CD2-CB 3.45Å; Y57-A175 VanDerWaalsContact CD2-CB 3.45Å; Y57-A175 HydrophobicContact CE1-CB 3.86Å; Y57-A175 HydrophobicContact CE2-CB 3.83Å; Y57-A175 HydrophobicContact CG-CB 3.25Å; F140-A175 HydrophobicContact CD2-CB 4.22Å; F140-A175 HydrophobicContact CE2-CB 4.4Å; F140-A175 HydrophobicContact CG-CB 4.45Å; V147-A175 HydrophobicContact CG2-CB 4.44Å; C171-A175 PolarHBondContact O-N 2.83Å; T172-A175 WeakPolarHBondContact O-CB 3.42Å; T172-A175 PolarHBondContact O-N 3.06Å; T172-A175 VanDerWaalsContact O-N 3.11Å; R173-A175 VanDerWaalsContact C-N 3.33Å; R173-A175 PolarHBondContact O-N 3.26Å; A175-Q177 VanDerWaalsContact C-N 3.35Å; A175-Q177 PolarHBondContact O-N 3.09Å; A175-Q178 CarbonylContact O-C 3.52Å; A175-Q178 PolarHBondContact O-N 3.11Å; A175-Q178 VanDerWaalsContact O-N 3.09Å; A175-A179 WeakPolarHBondContact O-CB 3.23Å; A175-A179 PolarHBondContact O-N 3.36Å
176	V	98.1	Very high	98	Very high	9 Å²	9	11.8 Å²	11.8	6%	0.055	5%	0.054	C	C	.	.	H	α-helix	trans	-58.7	-45	175.8	171.4	0	0	0	0	111.3	P29 L152 L165 T172 R173 Q178 A179 I182 L199	P29-V176 HydrophobicContact CB-CG1 4.16Å; P29-V176 HydrophobicContact CG-CG1 3.68Å; L152-V176 HydrophobicContact CD1-CG2 3.65Å; L152-V176 HydrophobicContact CD2-CG2 4.17Å; L165-V176 HydrophobicContact CD2-CG2 4.48Å; T172-V176 HydrophobicContact CG2-CG2 4.2Å; T172-V176 VanDerWaalsContact O-CG2 3.3Å; T172-V176 WeakPolarHBondContact O-CG2 3.42Å; T172-V176 PolarHBondContact O-N 2.78Å; R173-V176 PolarHBondContact O-N 3.21Å; V176-Q178 PolarHBondContact O-N 3.18Å; V176-Q178 VanDerWaalsContact O-N 3.14Å; V176-A179 PolarHBondContact O-N 3.1Å; V176-I182 HydrophobicContact CG1-CD1 4.02Å; V176-L199 HydrophobicContact CG1-CD1 3.75Å; V176-L199 HydrophobicContact CG1-CD2 4.37Å
177	Q	96.8	Very high	98	Very high	32 Å²	32	12 Å²	12	15%	0.15	6%	0.055	C	C	.	.	H	α-helix	trans	-59.4	-24.5	177.4	-75.9	174.1	-33	0	0	113.3	P27 P29 R141 R173 A174 A175	P27-Q177 VanDerWaalsContact CB-O 3.25Å; P27-Q177 WeakPolarHBondContact CB-O 3.35Å; P29-Q177 HydrophobicContact CG-CG 4.01Å; R141-Q177 VanDerWaalsContact NH2-OE1 3.1Å; R173-Q177 VanDerWaalsContact O-CG 3.32Å; R173-Q177 WeakPolarHBondContact O-CG 3.43Å; R173-Q177 PolarHBondContact O-N 2.76Å; A174-Q177 PolarHBondContact O-N 3.08Å; A175-Q177 VanDerWaalsContact C-N 3.35Å; A175-Q177 PolarHBondContact O-N 3.09Å
178	Q	97.2	Very high	98	Very high	48 Å²	48	16 Å²	16	22%	0.224	8%	0.081	C	C	.	.	H	α-helix	trans	-113.7	-5.9	-173.2	-58.7	-61	-40.5	0	0	113.7	F140 K143 V147 A174 A175 V176 K180	F140-Q178 HydrophobicContact CB-CG 4.45Å; F140-Q178 WeakPolarHBondContact O-CG 3.39Å; K143-Q178 VanDerWaalsContact CE-OE1 3.24Å; V147-Q178 HydrophobicContact CG2-CB 4.4Å; A174-Q178 WeakPolarHBondContact O-CG 3.46Å; A174-Q178 PolarHBondContact O-N 3.11Å; A175-Q178 CarbonylContact O-C 3.52Å; A175-Q178 PolarHBondContact O-N 3.11Å; A175-Q178 VanDerWaalsContact O-N 3.09Å; V176-Q178 PolarHBondContact O-N 3.18Å; V176-Q178 VanDerWaalsContact O-N 3.14Å; Q178-K180 PolarHBondContact O-N 2.67Å
179	A	98.1	Very high	98	Very high	4 Å²	4	19.5 Å²	19.5	3%	0.033	10%	0.1	C	C	.	.			trans	-66.4	130.6	-178	0	0	0	0	0	111.7	H23 V147 A150 A175 V176 I182	H23-A179 PolarHBondContact NE2-O 3.05Å; V147-A179 HydrophobicContact CG1-CB 3.85Å; V147-A179 WeakPolarHBondContact O-CA 3.34Å; A150-A179 HydrophobicContact CB-CB 3.75Å; A175-A179 WeakPolarHBondContact O-CB 3.23Å; A175-A179 PolarHBondContact O-N 3.36Å; V176-A179 PolarHBondContact O-N 3.1Å; A179-I182 HydrophobicContact CB-CD1 4.15Å; A179-I182 HydrophobicContact CB-CG1 3.63Å
180	K	97.1	Very high	98	Very high	76 Å²	76	19.7 Å²	19.7	33%	0.33	10%	0.101	S	C	.	.	S	Bend	trans	-77	-31.9	171.7	-57.3	177.3	-174.9	162.2	0	111.8	F22 H23 V147 D148 Q178	F22-K180 HydrophobicContact CB-CG 4.42Å; F22-K180 HydrophobicContact CD1-CB 3.91Å; F22-K180 HydrophobicContact CD1-CD 4.47Å; F22-K180 HydrophobicContact CD1-CG 3.8Å; F22-K180 HydrophobicContact CD2-CD 3.91Å; F22-K180 HydrophobicContact CD2-CG 3.97Å; F22-K180 HydrophobicContact CE1-CB 3.76Å; F22-K180 HydrophobicContact CE1-CD 4.36Å; F22-K180 HydrophobicContact CE1-CG 3.98Å; F22-K180 HydrophobicContact CE2-CD 3.78Å; F22-K180 HydrophobicContact CE2-CG 4.15Å; F22-K180 HydrophobicContact CG-CB 4.41Å; F22-K180 HydrophobicContact CG-CD 4.26Å; F22-K180 HydrophobicContact CG-CG 3.79Å; F22-K180 HydrophobicContact CZ-CB 4.14Å; F22-K180 HydrophobicContact CZ-CD 4.02Å; F22-K180 HydrophobicContact CZ-CG 4.15Å; H23-K180 PolarHBondContact CE1-O 2.92Å; H23-K180 VanDerWaalsContact CE1-O 3.29Å; V147-K180 PolarHBondContact O-N 2.61Å; D148-K180 WeakPolarHBondContact O-CB 3.2Å; D148-K180 WeakPolarHBondContact OD1-CE 3.44Å; D148-K180 IonicContact OD1-NZ 2.82Å; D148-K180 PolarHBondContact OD1-NZ 2.9Å; Q178-K180 PolarHBondContact O-N 2.67Å
181	F	98	Very high	98.2	Very high	44 Å²	44	19.9 Å²	19.9	19%	0.193	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	127.7	179.2	-161.9	-93.8	0	0	0	110.8	N49 D148 V149 A150 I183 D205 V206	N49-F181 HydrophobicContact CB-CD1 4.01Å; N49-F181 HydrophobicContact CB-CE1 3.61Å; N49-F181 HydrophobicContact CB-CZ 3.9Å; D148-F181 PolarHBondContact O-N 2.91Å; D148-F181 VanDerWaalsContact O-N 3.07Å; V149-F181 CarbonylContact C-O 3.52Å; V149-F181 VanDerWaalsContact CA-O 3.26Å; V149-F181 WeakPolarHBondContact CA-O 3.39Å; V149-F181 HydrophobicContact CG2-CB 4.37Å; A150-F181 PolarHBondContact N-O 2.97Å; F181-I183 HydrophobicContact CD1-CG1 3.93Å; F181-I183 HydrophobicContact CE1-CG1 3.9Å; F181-D205 VanDerWaalsContact CA-OD2 3.29Å; F181-D205 WeakPolarHBondContact CA-OD2 3.49Å; F181-D205 HydrophobicContact CD1-CB 4.14Å; F181-D205 HydrophobicContact CD2-CB 3.71Å; F181-D205 VanDerWaalsContact CD2-CG 3.48Å; F181-D205 HydrophobicContact CE1-CB 3.86Å; F181-D205 HydrophobicContact CE2-CB 3.42Å; F181-D205 VanDerWaalsContact CE2-CB 3.42Å; F181-D205 HydrophobicContact CG-CB 4.08Å; F181-D205 HydrophobicContact CZ-CB 3.5Å; F181-V206 HydrophobicContact CE1-CG1 4.17Å; F181-V206 HydrophobicContact CE1-CG2 3.83Å; F181-V206 HydrophobicContact CZ-CG1 3.82Å; F181-V206 HydrophobicContact CZ-CG2 4.33Å
182	I	98.8	Very high	98.2	Very high	6 Å²	6	22.3 Å²	22.3	3%	0.031	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	119.5	-177.8	-60.9	178.2	0	0	0	110.2	A150 L152 V176 A179 I204 D205 V206	A150-I182 HydrophobicContact CB-CG1 4.44Å; L152-I182 HydrophobicContact CD1-CG2 3.65Å; L152-I182 HydrophobicContact CG-CG2 4.38Å; V176-I182 HydrophobicContact CG1-CD1 4.02Å; A179-I182 HydrophobicContact CB-CD1 4.15Å; A179-I182 HydrophobicContact CB-CG1 3.63Å; I182-I204 HydrophobicContact CG2-CB 4.47Å; I182-I204 HydrophobicContact CG2-CG1 4.14Å; I182-I204 HydrophobicContact CG2-CG2 4.41Å; I182-D205 PolarHBondContact N-OD2 2.97Å; I182-D205 WeakPolarHBondContact O-CB 3.42Å; I182-D205 PolarHBondContact O-N 3.46Å; I182-V206 PolarHBondContact O-N 3.49Å
183	I	98.8	Very high	98.2	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	119.1	170.9	-55.8	175.4	0	0	0	107.6	A46 L68 V149 A150 M151 L152 F181 V206 I208	A46-I183 HydrophobicContact CB-CD1 4.32Å; A46-I183 HydrophobicContact CB-CG2 3.75Å; L68-I183 HydrophobicContact CD1-CB 4.47Å; L68-I183 HydrophobicContact CD1-CG2 3.54Å; L68-I183 HydrophobicContact CD2-CG2 3.78Å; L68-I183 HydrophobicContact CG-CG2 4.33Å; V149-I183 HydrophobicContact CG1-CD1 3.7Å; V149-I183 HydrophobicContact CG1-CG1 4.02Å; A150-I183 PolarHBondContact O-N 3.43Å; M151-I183 WeakPolarHBondContact CA-O 3.41Å; M151-I183 HydrophobicContact CE-CD1 4.05Å; M151-I183 HydrophobicContact CG-CB 4.47Å; M151-I183 HydrophobicContact CG-CD1 4.43Å; L152-I183 PolarHBondContact N-O 2.94Å; F181-I183 HydrophobicContact CD1-CG1 3.93Å; F181-I183 HydrophobicContact CE1-CG1 3.9Å; I183-V206 HydrophobicContact CB-CG2 3.96Å; I183-V206 HydrophobicContact CG1-CG2 3.63Å; I183-V206 HydrophobicContact CG2-CG2 3.9Å; I183-I208 HydrophobicContact CG2-CD1 4.2Å
184	A	98.9	Very high	98.2	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	135.5	179.7	0	0	0	0	0	112.5	L152 V154 I204 V206 M207 I208	L152-A184 CarbonylContact O-C 3.54Å; L152-A184 WeakPolarHBondContact O-CA 3.4Å; V154-A184 HydrophobicContact CG2-CB 4.04Å; A184-I204 HydrophobicContact CB-CD1 3.72Å; A184-I204 HydrophobicContact CB-CG1 4.14Å; A184-I204 HydrophobicContact CB-CG2 3.62Å; A184-V206 PolarHBondContact N-O 2.94Å; A184-M207 CarbonylContact O-C 3.59Å; A184-M207 VanDerWaalsContact O-CA 3.23Å; A184-M207 WeakPolarHBondContact O-CA 3.29Å; A184-I208 PolarHBondContact O-N 3.15Å
185	I	98.8	Very high	98.2	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.01	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	114	163.9	-58.3	166.9	0	0	0	106.7	P65 I67 L68 L152 T153 V154 N187 I208 D210	P65-I185 HydrophobicContact CB-CD1 3.61Å; I67-I185 HydrophobicContact CD1-CD1 3.73Å; I67-I185 HydrophobicContact CD1-CG1 4.19Å; I67-I185 HydrophobicContact CD1-CG2 4.42Å; I67-I185 HydrophobicContact CG1-CD1 3.54Å; I67-I185 HydrophobicContact CG1-CG1 4.42Å; L68-I185 HydrophobicContact CD1-CD1 3.75Å; L68-I185 HydrophobicContact CD1-CG1 3.67Å; L68-I185 HydrophobicContact CG-CD1 3.93Å; L68-I185 HydrophobicContact CG-CG1 4.1Å; L152-I185 PolarHBondContact O-N 3.45Å; T153-I185 HydrophobicContact CG2-CB 4.33Å; T153-I185 HydrophobicContact CG2-CG2 4.4Å; V154-I185 PolarHBondContact N-O 3.21Å; V154-I185 VanDerWaalsContact O-O 3.13Å; I185-N187 HydrophobicContact CG2-CB 4.26Å; I185-N187 PolarHBondContact O-N 3.09Å; I185-I208 CarbonylContact C-O 3.51Å; I185-I208 WeakPolarHBondContact CA-O 3.21Å; I185-I208 HydrophobicContact CG1-CB 4.5Å; I185-D210 HydrophobicContact CG2-CB 3.56Å
186	A	98.8	Very high	98.2	Very high	2 Å²	2	28.1 Å²	28.1	2%	0.017	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	106	169.2	0	0	0	0	0	109	V154 M207 I208 D210	V154-A186 WeakPolarHBondContact O-CA 3.44Å; A186-M207 HydrophobicContact CB-CE 4.41Å; A186-M207 HydrophobicContact CB-CG 3.91Å; A186-M207 HydrophobicContact CB-SD 3.72Å; A186-I208 PolarHBondContact N-O 3.28Å; A186-D210 PolarHBondContact O-N 2.84Å
187	N	98.8	Very high	98.1	Very high	4 Å²	4	27.7 Å²	27.7	2%	0.021	14%	0.144	C	C	.	.			trans	-121.8	118.7	-177	-177.7	-31.7	0	0	0	111.2	T153 V154 P156 I185 N189 V190 D210 S212	T153-N187 HydrophobicContact CG2-CB 4.02Å; V154-N187 PolarHBondContact O-N 3.1Å; P156-N187 WeakPolarHBondContact CD-O 3.45Å; I185-N187 HydrophobicContact CG2-CB 4.26Å; I185-N187 PolarHBondContact O-N 3.09Å; N187-N189 PolarHBondContact O-N 3.47Å; N187-N189 VanDerWaalsContact O-N 3.13Å; N187-N189 VanDerWaalsContact OD1-CB 3.28Å; N187-N189 WeakPolarHBondContact OD1-CB 3.34Å; N187-N189 PolarHBondContact OD1-N 3.14Å; N187-N189 PolarHBondContact OD1-ND2 3.27Å; N187-N189 VanDerWaalsContact OD1-ND2 3.13Å; N187-V190 HydrophobicContact CB-CG2 4Å; N187-V190 WeakPolarHBondContact O-CB 3.16Å; N187-V190 WeakPolarHBondContact O-CG2 3.48Å; N187-V190 PolarHBondContact O-N 2.81Å; N187-D210 WeakPolarHBondContact CA-O 3.49Å; N187-D210 VanDerWaalsContact CB-O 3.26Å; N187-D210 WeakPolarHBondContact CB-O 3.2Å; N187-D210 VanDerWaalsContact CG-O 3.24Å; N187-D210 PolarHBondContact ND2-OD2 3.06Å; N187-S212 PolarHBondContact ND2-O 2.78Å
188	P	98.4	Very high	98.2	Very high	85 Å²	85	27.4 Å²	27.4	55%	0.552	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-14.4	-175.6	28.5	-36	0	0	0	114.2	P156 V190 D210 N211	P156-P188 HydrophobicContact CG-CB 4.18Å; P188-V190 VanDerWaalsContact C-N 3.28Å; P188-D210 WeakPolarHBondContact CD-O 3.48Å; P188-N211 HydrophobicContact CG-CB 4.27Å
189	N	98.5	Very high	98.2	Very high	74 Å²	74	25.2 Å²	25.2	40%	0.396	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-11.4	174.8	-57.4	-55.5	0	0	0	112.7	N187 P191 N211 S212 L214	N187-N189 PolarHBondContact O-N 3.47Å; N187-N189 VanDerWaalsContact O-N 3.13Å; N187-N189 VanDerWaalsContact OD1-CB 3.28Å; N187-N189 WeakPolarHBondContact OD1-CB 3.34Å; N187-N189 PolarHBondContact OD1-N 3.14Å; N187-N189 PolarHBondContact OD1-ND2 3.27Å; N187-N189 VanDerWaalsContact OD1-ND2 3.13Å; N189-P191 WeakPolarHBondContact O-CD 3.2Å; N189-N211 PolarHBondContact ND2-O 3.17Å; N189-S212 PolarHBondContact ND2-O 2.7Å; N189-S212 VanDerWaalsContact ND2-O 3.07Å; N189-L214 HydrophobicContact CB-CD2 4.29Å; N189-L214 HydrophobicContact CB-CG 4.08Å; N189-L214 WeakPolarHBondContact O-CD1 3.5Å
190	V	98.8	Very high	98.2	Very high	3 Å²	3	26 Å²	26	2%	0.018	14%	0.14	C	C	.	.	S	Bend	trans	-72.7	117.3	175.6	-178	0	0	0	0	109.4	L63 T153 S155 N187 P188 L214	L63-V190 HydrophobicContact CD1-CG1 4.5Å; L63-V190 HydrophobicContact CD2-CB 4.45Å; L63-V190 HydrophobicContact CD2-CG1 4.07Å; L63-V190 HydrophobicContact CD2-CG2 3.72Å; T153-V190 HydrophobicContact CG2-CG2 3.84Å; S155-V190 WeakPolarHBondContact CB-O 3.47Å; N187-V190 HydrophobicContact CB-CG2 4Å; N187-V190 WeakPolarHBondContact O-CB 3.16Å; N187-V190 WeakPolarHBondContact O-CG2 3.48Å; N187-V190 PolarHBondContact O-N 2.81Å; P188-V190 VanDerWaalsContact C-N 3.28Å; V190-L214 HydrophobicContact CG2-CD2 3.97Å
191	P	98.5	Very high	98.3	Very high	4 Å²	4	24.8 Å²	24.8	3%	0.026	14%	0.135	C	C	.	.			trans	-65.9	142.5	179.7	27.8	-34.2	0	0	0	110.7	G166 T167 N189 T193 Y309 M312 N313	G166-P191 WeakPolarHBondContact CA-O 3.3Å; T167-P191 HydrophobicContact CG2-CG 3.52Å; N189-P191 WeakPolarHBondContact O-CD 3.2Å; P191-T193 PolarHBondContact O-N 3.18Å; P191-Y309 WeakPolarHBondContact CB-O 3.37Å; P191-M312 HydrophobicContact CB-CB 4.13Å; P191-M312 HydrophobicContact CG-CB 4.29Å; P191-N313 WeakPolarHBondContact CA-OD1 3.02Å; P191-N313 HydrophobicContact CB-CB 3.74Å
192	R	98.5	Very high	98.3	Very high	51 Å²	51	22.7 Å²	22.7	19%	0.192	13%	0.126	C	C	.	.			trans	-80.7	109.9	170	-177.7	170.6	-60.1	-73.9	-4	109.7	S155 P156 D158 F162 N313 D314	S155-R192 PolarHBondContact OG-NH2 3.37Å; P156-R192 PolarHBondContact O-NH2 3.27Å; D158-R192 IonicContact OD2-CZ 3.92Å; D158-R192 IonicContact OD2-NH1 2.65Å; D158-R192 PolarHBondContact OD2-NH1 3.23Å; F162-R192 PolarHBondContact O-NH1 3.21Å; F162-R192 PolarHBondContact O-NH2 3.47Å; R192-N313 PolarHBondContact N-OD1 2.78Å; R192-D314 PolarHBondContact O-N 2.85Å
193	T	98.2	Very high	98.3	Very high	8 Å²	8	22.9 Å²	22.9	5%	0.049	13%	0.127	C	C	.	.			trans	-106.3	150.4	178.8	60.2	0	0	0	0	111.7	S164 G166 P191 M312 L318 M320	S164-T193 PolarHBondContact OG-N 2.88Å; S164-T193 VanDerWaalsContact OG-N 3.08Å; S164-T193 PolarHBondContact OG-OG1 3.25Å; G166-T193 WeakPolarHBondContact O-CG2 3.28Å; G166-T193 PolarHBondContact O-OG1 2.73Å; G166-T193 VanDerWaalsContact O-OG1 3.12Å; P191-T193 PolarHBondContact O-N 3.18Å; T193-M312 HydrophobicContact CG2-CB 4.29Å; T193-M312 HydrophobicContact CG2-CE 4Å; T193-L318 HydrophobicContact CG2-CD2 3.89Å; T193-M320 HydrophobicContact CG2-CG 3.83Å
194	F	97.5	Very high	98.3	Very high	80 Å²	80	22.9 Å²	22.9	35%	0.351	13%	0.127	S	C	.	.			trans	-88.6	166.1	173.2	-58.1	-66.9	0	0	0	111.9	D314 N315 A316 M320	F194-D314 VanDerWaalsContact CZ-OD1 3.22Å; F194-D314 WeakPolarHBondContact CZ-OD1 3.2Å; F194-N315 WeakPolarHBondContact CD2-O 3.39Å; F194-A316 HydrophobicContact CE2-CB 4.42Å; F194-M320 PolarHBondContact O-N 3.33Å
195	G	97	Very high	98.3	Very high	23 Å²	23	24.5 Å²	24.5	24%	0.237	14%	0.136	C	C	.	.	B	Isolated β-bridge	trans	107.6	-138.7	-176.5	0	0	0	0	0	110.6	F30 G197 Y319 M320	F30-G195 WeakPolarHBondContact CZ-O 3.47Å; G195-G197 VanDerWaalsContact C-N 3.29Å; G195-G197 PolarHBondContact O-N 2.79Å; G195-Y319 VanDerWaalsContact CA-CE2 3.47Å; G195-M320 CarbonylContact C-O 3.45Å; G195-M320 WeakPolarHBondContact CA-O 3.47Å
196	D	97.9	Very high	98.3	Very high	35 Å²	35	24.6 Å²	24.6	19%	0.187	14%	0.136	C	C	.	.	S	Bend	trans	-86.3	-1.5	-171.5	-58.1	-44.9	0	0	0	113.5	V169 R173 A198 Y319 M320 G321 D322	V169-D196 HydrophobicContact CG1-CB 4.22Å; R173-D196 PolarHBondContact NH1-O 3.38Å; D196-A198 PolarHBondContact O-N 3.25Å; D196-Y319 VanDerWaalsContact CG-OH 3.22Å; D196-Y319 PolarHBondContact OD1-OH 2.78Å; D196-Y319 VanDerWaalsContact OD1-OH 3.08Å; D196-Y319 PolarHBondContact OD2-OH 2.95Å; D196-M320 PolarHBondContact N-O 2.76Å; D196-G321 VanDerWaalsContact OD2-CA 3.27Å; D196-G321 WeakPolarHBondContact OD2-CA 3.43Å; D196-D322 PolarHBondContact OD2-N 2.85Å; D196-D322 VanDerWaalsContact OD2-N 3.12Å
197	G	97	Very high	98.3	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.137	C	C	.	.			trans	-85.8	14.8	-170.9	0	0	0	0	0	117.1	S164 L165 G195	S164-G197 CarbonylContact C-O 3.57Å; S164-G197 WeakPolarHBondContact CA-O 3.28Å; L165-G197 PolarHBondContact N-O 3.39Å; G195-G197 VanDerWaalsContact C-N 3.29Å; G195-G197 PolarHBondContact O-N 2.79Å
198	A	97.5	Very high	98.2	Very high	27 Å²	27	24.7 Å²	24.7	22%	0.223	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	143	175.8	0	0	0	0	0	112.4	F30 F162 D196	F30-A198 HydrophobicContact CD2-CB 3.94Å; F30-A198 VanDerWaalsContact CD2-O 3.27Å; F30-A198 WeakPolarHBondContact CD2-O 3.27Å; F30-A198 HydrophobicContact CE2-CB 3.47Å; F30-A198 VanDerWaalsContact CE2-CB 3.47Å; F30-A198 WeakPolarHBondContact CE2-O 3.39Å; F30-A198 HydrophobicContact CZ-CB 3.84Å; F162-A198 HydrophobicContact CD1-CB 4.16Å; D196-A198 PolarHBondContact O-N 3.25Å
199	L	98.3	Very high	98.2	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.005	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	114.1	177.1	168.5	59.8	0	0	0	108.9	P29 L152 C163 V176 H203 I204	P29-L199 HydrophobicContact CB-CD1 3.91Å; L152-L199 HydrophobicContact CD1-CD2 3.82Å; C163-L199 WeakPolarHBondContact CB-O 3.28Å; C163-L199 PolarHBondContact N-O 2.84Å; C163-L199 PolarHBondContact O-N 3.14Å; V176-L199 HydrophobicContact CG1-CD1 3.75Å; V176-L199 HydrophobicContact CG1-CD2 4.37Å; L199-H203 HydrophobicContact CD1-CB 3.66Å; L199-I204 HydrophobicContact CD2-CD1 4.1Å; L199-I204 HydrophobicContact CD2-CG1 3.99Å; L199-I204 HydrophobicContact CG-CD1 4.42Å; L199-I204 HydrophobicContact CG-CG1 4.34Å
200	H	98.6	Very high	98.2	Very high	22 Å²	22	24.6 Å²	24.6	10%	0.102	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	133.7	174.9	-172.9	-92.2	0	0	0	110.7	P29 K160 G161 F162 S202 H203	P29-H200 PolarHBondContact O-N 2.94Å; K160-H200 PolarHBondContact O-CD2 2.89Å; K160-H200 PolarHBondContact O-NE2 3.31Å; G161-H200 PolarHBondContact O-CD2 3.36Å; F162-H200 HydrophobicContact CD1-CB 3.9Å; F162-H200 HydrophobicContact CE1-CB 3.68Å; F162-H200 HydrophobicContact CZ-CB 4.27Å; H200-S202 PolarHBondContact CE1-OG 3.21Å; H200-S202 WeakPolarHBondContact ND1-CB 3.21Å; H200-S202 PolarHBondContact ND1-N 3.38Å; H200-S202 VanDerWaalsContact ND1-N 3.19Å; H200-S202 PolarHBondContact ND1-OG 2.98Å; H200-S202 PolarHBondContact O-N 3.45Å; H200-H203 WeakPolarHBondContact O-CB 3.4Å; H200-H203 PolarHBondContact O-N 3.21Å
201	Q	98.5	Very high	98.1	Very high	49 Å²	49	30.2 Å²	30.2	23%	0.229	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-56.6	-24	-174.1	65.9	-179.7	-31.1	0	0	114.4	P157 G161 H203 I204	P157-Q201 HydrophobicContact CB-CB 4.32Å; G161-Q201 WeakPolarHBondContact O-CB 3.32Å; G161-Q201 WeakPolarHBondContact O-CG 3.48Å; G161-Q201 PolarHBondContact O-N 2.64Å; Q201-H203 PolarHBondContact O-N 3.2Å; Q201-I204 WeakPolarHBondContact O-CB 3.46Å; Q201-I204 PolarHBondContact O-N 3.44Å
202	S	98.2	Very high	98	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.007	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-71.7	-8.1	178.6	70.1	0	0	0	0	114.5	I33 R36 H200	I33-S202 WeakPolarHBondContact CA-OG 3.38Å; I33-S202 WeakPolarHBondContact CB-OG 3.37Å; I33-S202 WeakPolarHBondContact CD1-O 3.48Å; I33-S202 PolarHBondContact N-OG 2.97Å; I33-S202 VanDerWaalsContact O-CB 3.28Å; I33-S202 WeakPolarHBondContact O-CB 3.33Å; I33-S202 PolarHBondContact O-OG 3.49Å; I33-S202 VanDerWaalsContact O-OG 3.12Å; R36-S202 WeakPolarHBondContact CD-O 3.48Å; R36-S202 VanDerWaalsContact CG-O 3.25Å; R36-S202 WeakPolarHBondContact CG-O 3.41Å; R36-S202 PolarHBondContact NE-O 2.84Å; R36-S202 PolarHBondContact NH1-O 3.23Å; R36-S202 WeakPolarHBondContact O-CB 3.41Å; H200-S202 PolarHBondContact CE1-OG 3.21Å; H200-S202 WeakPolarHBondContact ND1-CB 3.21Å; H200-S202 PolarHBondContact ND1-N 3.38Å; H200-S202 VanDerWaalsContact ND1-N 3.19Å; H200-S202 PolarHBondContact ND1-OG 2.98Å; H200-S202 PolarHBondContact O-N 3.45Å
203	H	98.3	Very high	98	Very high	10 Å²	10	34.9 Å²	34.9	5%	0.046	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-82.3	-21.3	166.5	-73.2	-88.2	0	0	0	113	S26 E28 Q31 I33 L199 H200 Q201	S26-H203 PolarHBondContact O-CE1 2.59Å; E28-H203 PolarHBondContact O-CE1 3.4Å; E28-H203 VanDerWaalsContact O-CE1 3.31Å; E28-H203 PolarHBondContact O-NE2 3.03Å; E28-H203 VanDerWaalsContact O-NE2 3.1Å; Q31-H203 PolarHBondContact O-NE2 3.13Å; I33-H203 WeakPolarHBondContact CD1-ND1 3.17Å; L199-H203 HydrophobicContact CD1-CB 3.66Å; H200-H203 WeakPolarHBondContact O-CB 3.4Å; H200-H203 PolarHBondContact O-N 3.21Å; Q201-H203 PolarHBondContact O-N 3.2Å
204	I	98.7	Very high	98	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.197	C	C	.	.			trans	-80.1	129.1	-178.1	-58.7	170.4	0	0	0	108.9	P38 I182 A184 L199 Q201 V206 M207	P38-I204 WeakPolarHBondContact CA-O 3.41Å; P38-I204 HydrophobicContact CB-CB 4.1Å; P38-I204 HydrophobicContact CB-CG2 3.86Å; P38-I204 WeakPolarHBondContact CB-O 3.38Å; I182-I204 HydrophobicContact CG2-CB 4.47Å; I182-I204 HydrophobicContact CG2-CG1 4.14Å; I182-I204 HydrophobicContact CG2-CG2 4.41Å; A184-I204 HydrophobicContact CB-CD1 3.72Å; A184-I204 HydrophobicContact CB-CG1 4.14Å; A184-I204 HydrophobicContact CB-CG2 3.62Å; L199-I204 HydrophobicContact CD2-CD1 4.1Å; L199-I204 HydrophobicContact CD2-CG1 3.99Å; L199-I204 HydrophobicContact CG-CD1 4.42Å; L199-I204 HydrophobicContact CG-CG1 4.34Å; Q201-I204 WeakPolarHBondContact O-CB 3.46Å; Q201-I204 PolarHBondContact O-N 3.44Å; I204-V206 WeakPolarHBondContact CG2-O 3.46Å; I204-M207 HydrophobicContact CD1-CE 3.54Å; I204-M207 HydrophobicContact CG2-CB 4.4Å; I204-M207 HydrophobicContact CG2-CE 4.39Å
205	D	98.5	Very high	98	Very high	33 Å²	33	34.6 Å²	34.6	18%	0.176	19%	0.192	C	C	.	.	S	Bend	trans	-80.7	-49.3	178.1	-69.5	-80	0	0	0	111.6	R36 Q39 F181 I182	R36-D205 IonicContact CZ-OD1 3.72Å; R36-D205 IonicContact NH2-OD1 2.64Å; R36-D205 PolarHBondContact NH2-OD1 2.73Å; R36-D205 IonicContact NH2-OD2 3.21Å; R36-D205 PolarHBondContact NH2-OD2 3.28Å; Q39-D205 PolarHBondContact N-O 3.13Å; F181-D205 VanDerWaalsContact CA-OD2 3.29Å; F181-D205 WeakPolarHBondContact CA-OD2 3.49Å; F181-D205 HydrophobicContact CD1-CB 4.14Å; F181-D205 HydrophobicContact CD2-CB 3.71Å; F181-D205 VanDerWaalsContact CD2-CG 3.48Å; F181-D205 HydrophobicContact CE1-CB 3.86Å; F181-D205 HydrophobicContact CE2-CB 3.42Å; F181-D205 VanDerWaalsContact CE2-CB 3.42Å; F181-D205 HydrophobicContact CG-CB 4.08Å; F181-D205 HydrophobicContact CZ-CB 3.5Å; I182-D205 PolarHBondContact N-OD2 2.97Å; I182-D205 WeakPolarHBondContact O-CB 3.42Å; I182-D205 PolarHBondContact O-N 3.46Å
206	V	98.7	Very high	98	Very high	5 Å²	5	35.9 Å²	35.9	3%	0.03	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	142.3	179.1	-60.9	0	0	0	0	110.9	Q39 A46 F181 I182 I183 A184 I204	Q39-V206 HydrophobicContact CB-CG1 4.32Å; Q39-V206 CarbonylContact O-C 3.55Å; Q39-V206 VanDerWaalsContact O-CA 3.23Å; Q39-V206 WeakPolarHBondContact O-CA 3.27Å; A46-V206 HydrophobicContact CB-CG2 3.92Å; F181-V206 HydrophobicContact CE1-CG1 4.17Å; F181-V206 HydrophobicContact CE1-CG2 3.83Å; F181-V206 HydrophobicContact CZ-CG1 3.82Å; F181-V206 HydrophobicContact CZ-CG2 4.33Å; I182-V206 PolarHBondContact O-N 3.49Å; I183-V206 HydrophobicContact CB-CG2 3.96Å; I183-V206 HydrophobicContact CG1-CG2 3.63Å; I183-V206 HydrophobicContact CG2-CG2 3.9Å; A184-V206 PolarHBondContact N-O 2.94Å; I204-V206 WeakPolarHBondContact CG2-O 3.46Å
207	M	98.8	Very high	97.6	Very high	4 Å²	4	36.4 Å²	36.4	2%	0.02	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	135.1	-178.6	-177.5	173.5	-73.6	0	0	111.2	P38 Q39 I40 C41 A184 A186 I204	P38-M207 HydrophobicContact CB-CB 3.8Å; P38-M207 HydrophobicContact CG-CB 4.12Å; P38-M207 HydrophobicContact CG-CE 4.03Å; P38-M207 HydrophobicContact CG-SD 4.28Å; Q39-M207 PolarHBondContact O-N 3.1Å; I40-M207 VanDerWaalsContact CA-O 3.3Å; I40-M207 WeakPolarHBondContact CA-O 3.44Å; I40-M207 HydrophobicContact CD1-CB 3.83Å; I40-M207 HydrophobicContact CD1-CG 4.19Å; I40-M207 HydrophobicContact CD1-SD 4.34Å; C41-M207 PolarHBondContact N-O 2.94Å; A184-M207 CarbonylContact O-C 3.59Å; A184-M207 VanDerWaalsContact O-CA 3.23Å; A184-M207 WeakPolarHBondContact O-CA 3.29Å; A186-M207 HydrophobicContact CB-CE 4.41Å; A186-M207 HydrophobicContact CB-CG 3.91Å; A186-M207 HydrophobicContact CB-SD 3.72Å; I204-M207 HydrophobicContact CD1-CE 3.54Å; I204-M207 HydrophobicContact CG2-CB 4.4Å; I204-M207 HydrophobicContact CG2-CE 4.39Å
208	I	98.4	Very high	96.9	Very high	4 Å²	4	43.1 Å²	43.1	2%	0.021	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	145.9	175	-62.7	153.2	0	0	0	107.6	C41 P43 A46 I67 L68 I183 A184 I185 A186	C41-I208 WeakPolarHBondContact O-CG1 3.32Å; P43-I208 HydrophobicContact CB-CD1 4.32Å; P43-I208 HydrophobicContact CG-CD1 4.3Å; P43-I208 HydrophobicContact CG-CG2 4.05Å; A46-I208 HydrophobicContact CB-CD1 3.75Å; A46-I208 HydrophobicContact CB-CG1 4.38Å; I67-I208 HydrophobicContact CD1-CG2 4.47Å; L68-I208 HydrophobicContact CD1-CD1 4.34Å; L68-I208 HydrophobicContact CD2-CD1 3.39Å; L68-I208 HydrophobicContact CG-CD1 4.05Å; I183-I208 HydrophobicContact CG2-CD1 4.2Å; A184-I208 PolarHBondContact O-N 3.15Å; I185-I208 CarbonylContact C-O 3.51Å; I185-I208 WeakPolarHBondContact CA-O 3.21Å; I185-I208 HydrophobicContact CG1-CB 4.5Å; A186-I208 PolarHBondContact N-O 3.28Å
209	H	98.1	Very high	95.7	Very high	122 Å²	122	46.8 Å²	46.8	57%	0.565	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.1	129	170.4	-66.3	-70.2	0	0	0	110.2
210	D	97.6	Very high	94.7	Very high	34 Å²	34	56.6 Å²	56.6	18%	0.182	29%	0.29	C	S	.	.			trans	-145.4	146.2	173.5	169.8	61.4	0	0	0	108.4	I67 I185 A186 N187 P188 S212	I67-D210 HydrophobicContact CD1-CB 3.79Å; I185-D210 HydrophobicContact CG2-CB 3.56Å; A186-D210 PolarHBondContact O-N 2.84Å; N187-D210 WeakPolarHBondContact CA-O 3.49Å; N187-D210 VanDerWaalsContact CB-O 3.26Å; N187-D210 WeakPolarHBondContact CB-O 3.2Å; N187-D210 VanDerWaalsContact CG-O 3.24Å; N187-D210 PolarHBondContact ND2-OD2 3.06Å; P188-D210 WeakPolarHBondContact CD-O 3.48Å; D210-S212 PolarHBondContact OD1-N 3.17Å; D210-S212 PolarHBondContact OD1-OG 3.37Å; D210-S212 VanDerWaalsContact OD2-CB 3.23Å; D210-S212 WeakPolarHBondContact OD2-CB 3.47Å; D210-S212 PolarHBondContact OD2-N 3.23Å; D210-S212 VanDerWaalsContact OD2-N 3.16Å; D210-S212 PolarHBondContact OD2-OG 3.12Å
211	N	97	Very high	93.9	Very high	122 Å²	122	65.2 Å²	65.2	65%	0.652	33%	0.327	S	S	*	.			trans	-124.8	20.1	179.8	65.3	-15.2	0	0	0	111.8	P188 N189	P188-N211 HydrophobicContact CG-CB 4.27Å; N189-N211 PolarHBondContact ND2-O 3.17Å
212	S	97.3	Very high	93.3	Very high	51 Å²	51	66.7 Å²	66.7	36%	0.357	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-59.2	142.7	175.1	-61.8	0	0	0	0	110	N187 N189 D210	N187-S212 PolarHBondContact ND2-O 2.78Å; N189-S212 PolarHBondContact ND2-O 2.7Å; N189-S212 VanDerWaalsContact ND2-O 3.07Å; D210-S212 PolarHBondContact OD1-N 3.17Å; D210-S212 PolarHBondContact OD1-OG 3.37Å; D210-S212 VanDerWaalsContact OD2-CB 3.23Å; D210-S212 WeakPolarHBondContact OD2-CB 3.47Å; D210-S212 PolarHBondContact OD2-N 3.23Å; D210-S212 VanDerWaalsContact OD2-N 3.16Å; D210-S212 PolarHBondContact OD2-OG 3.12Å
213	P	97.6	Very high	93.1	Very high	101 Å²	101	69.1 Å²	69.1	66%	0.656	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-57	145.2	173.3	-23.7	33.8	0	0	0	111.1
214	L	98.2	Very high	92.9	Very high	16 Å²	16	76.6 Å²	76.6	8%	0.084	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-66.9	154.6	172	-54.8	-171.2	0	0	0	110.3	L63 N189 V190 T216 Y309	L63-L214 HydrophobicContact CD2-CD1 3.9Å; L63-L214 HydrophobicContact CD2-CD2 3.87Å; L63-L214 HydrophobicContact CD2-CG 4.49Å; N189-L214 HydrophobicContact CB-CD2 4.29Å; N189-L214 HydrophobicContact CB-CG 4.08Å; N189-L214 WeakPolarHBondContact O-CD1 3.5Å; V190-L214 HydrophobicContact CG2-CD2 3.97Å; L214-T216 PolarHBondContact O-N 3.03Å; L214-Y309 HydrophobicContact CB-CD2 4.17Å; L214-Y309 HydrophobicContact CB-CE2 3.9Å; L214-Y309 HydrophobicContact CD1-CD2 4Å; L214-Y309 HydrophobicContact CD1-CE2 4.27Å; L214-Y309 HydrophobicContact CD1-CG 4.41Å
215	Y	97.8	Very high	92.8	Very high	67 Å²	67	77.8 Å²	77.8	26%	0.263	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-63.5	133.8	172.9	-70.6	-74.3	0	0	0	110.2	A62 T64 T66 E92 Y309	A62-Y215 WeakPolarHBondContact CB-O 3.34Å; A62-Y215 PolarHBondContact O-N 3.12Å; T64-Y215 HydrophobicContact CG2-CE2 4.45Å; T66-Y215 WeakPolarHBondContact CB-OH 3.39Å; T66-Y215 WeakPolarHBondContact OG1-CE2 3.45Å; T66-Y215 PolarHBondContact OG1-OH 3.02Å; E92-Y215 HydrophobicContact CB-CD1 3.93Å; E92-Y215 HydrophobicContact CB-CD2 3.6Å; E92-Y215 HydrophobicContact CB-CE2 4.2Å; E92-Y215 HydrophobicContact CB-CG 3.45Å; E92-Y215 VanDerWaalsContact CB-CG 3.45Å; E92-Y215 HydrophobicContact CG-CG 4.32Å; Y215-Y309 PolarHBondContact O-OH 3.09Å
216	T	96.3	Very high	92.7	Very high	49 Å²	49	76.9 Å²	76.9	30%	0.301	39%	0.392	S	S	.	.			trans	-121.3	156.1	178.7	53.5	0	0	0	0	110.9	L214 G304 E306 Y309	L214-T216 PolarHBondContact O-N 3.03Å; T216-G304 CarbonylContact C-O 3.58Å; T216-G304 WeakPolarHBondContact CA-O 3.11Å; T216-G304 VanDerWaalsContact CB-O 3.23Å; T216-G304 WeakPolarHBondContact CB-O 3.17Å; T216-E306 HydrophobicContact CG2-CG 4.27Å; T216-Y309 HydrophobicContact CG2-CD2 4.47Å; T216-Y309 HydrophobicContact CG2-CE2 3.8Å
217	I	90.7	Very high	92.6	Very high	46 Å²	46	78.2 Å²	78.2	24%	0.236	40%	0.403	C	S	.	.			trans	-118.5	144.8	167.1	64.7	172.1	0	0	0	109.4	I248 L303 G304 T305	I217-I248 HydrophobicContact CD1-CB 4.42Å; I217-I248 HydrophobicContact CD1-CD1 4.28Å; I217-I248 HydrophobicContact CD1-CG2 3.96Å; I217-L303 HydrophobicContact CB-CG 4.44Å; I217-L303 HydrophobicContact CD1-CB 4.36Å; I217-L303 HydrophobicContact CD1-CD2 4.06Å; I217-L303 HydrophobicContact CD1-CG 3.81Å; I217-L303 HydrophobicContact CG1-CD2 4.49Å; I217-L303 HydrophobicContact CG1-CG 3.92Å; I217-L303 HydrophobicContact CG2-CD1 4.05Å; I217-L303 HydrophobicContact CG2-CD2 3.68Å; I217-L303 HydrophobicContact CG2-CG 3.74Å; I217-G304 PolarHBondContact N-O 2.97Å; I217-G304 CarbonylContact O-C 3.57Å; I217-T305 WeakPolarHBondContact O-CG2 3.18Å
218	H	82.6	Confident	92.6	Very high	141 Å²	141	80.5 Å²	80.5	65%	0.653	42%	0.418	S	S	*	.			trans	-109.6	148.4	173.2	-61.7	-69.5	0	0	0	110.1	R220	H218-R220 PolarHBondContact O-N 3.13Å
219	S	72.4	Confident	92.6	Very high	105 Å²	105	80.3 Å²	80.3	73%	0.734	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-57.8	138.7	176.2	58.6	0	0	0	0	110.4
220	R	77.1	Confident	92.6	Very high	207 Å²	207	74.5 Å²	74.5	78%	0.781	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-89.2	160.1	173.8	-67.3	179.8	-176.7	171.3	2.4	109.3	H218 M222	H218-R220 PolarHBondContact O-N 3.13Å; R220-M222 PolarHBondContact O-N 3.5Å; R220-M222 VanDerWaalsContact O-N 3.12Å
221	K	80.7	Confident	92.6	Very high	203 Å²	203	77.6 Å²	77.6	88%	0.883	40%	0.402	S	S	*	.	P	Polyproline II helix	trans	-61.6	117.9	171.2	-169.3	175.3	-179.9	-179.3	0	109.1
222	M	87.3	Confident	92.7	Very high	80 Å²	80	73.6 Å²	73.6	39%	0.394	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-69.5	134.6	176.4	-175.5	167.4	62.7	0	0	110.1	R220 D226 A227 A254	R220-M222 PolarHBondContact O-N 3.5Å; R220-M222 VanDerWaalsContact O-N 3.12Å; M222-D226 HydrophobicContact CG-CB 3.89Å; M222-A227 HydrophobicContact CE-CB 3.96Å; M222-A227 HydrophobicContact CG-CB 4.36Å; M222-A227 HydrophobicContact SD-CB 4.14Å; M222-A254 HydrophobicContact CG-CB 4.5Å; M222-A254 HydrophobicContact SD-CB 3.41Å; M222-A254 WeakPolarHBondContact SD-CB 3.36Å
223	S	92.7	Very high	92.8	Very high	51 Å²	51	71.2 Å²	71.2	36%	0.357	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-82.2	162.2	172.8	73.1	0	0	0	0	111.3	A225 D226 A227	S223-A225 VanDerWaalsContact C-N 3.28Å; S223-A225 PolarHBondContact O-N 3.18Å; S223-D226 WeakPolarHBondContact CB-OD2 3.1Å; S223-D226 PolarHBondContact N-OD2 2.81Å; S223-D226 PolarHBondContact O-N 3.2Å; S223-D226 PolarHBondContact OG-N 3.37Å; S223-D226 VanDerWaalsContact OG-N 3.11Å; S223-D226 PolarHBondContact OG-OD2 3.06Å; S223-A227 PolarHBondContact O-N 3.43Å
224	E	95.4	Very high	92.8	Very high	167 Å²	167	66.4 Å²	66.4	78%	0.78	33%	0.332	S	S	*	.	H	α-helix	trans	-63.6	-35	174.8	-174	176.5	-174.6	0	0	112.3	A227 T228	E224-A227 PolarHBondContact O-N 3.39Å; E224-T228 WeakPolarHBondContact O-CB 3.02Å; E224-T228 PolarHBondContact O-N 2.78Å; E224-T228 PolarHBondContact O-OG1 3.26Å
225	A	96.3	Very high	92.8	Very high	26 Å²	26	71.5 Å²	71.5	22%	0.215	36%	0.356	C	S	.	.	H	α-helix	trans	-63.2	-47	173.9	0	0	0	0	0	111.1	S223 A227 T228 I229 P385 E418	S223-A225 VanDerWaalsContact C-N 3.28Å; S223-A225 PolarHBondContact O-N 3.18Å; A225-A227 VanDerWaalsContact C-N 3.33Å; A225-A227 PolarHBondContact O-N 3.46Å; A225-T228 PolarHBondContact O-N 3Å; A225-I229 VanDerWaalsContact O-CG1 3.25Å; A225-I229 WeakPolarHBondContact O-CG1 3.28Å; A225-I229 PolarHBondContact O-N 2.81Å; A225-P385 HydrophobicContact CB-CB 4.43Å; A225-E418 HydrophobicContact CB-CB 4.11Å; A225-E418 HydrophobicContact CB-CG 4.04Å
226	D	95.8	Very high	92.9	Very high	14 Å²	14	72.8 Å²	72.8	8%	0.075	37%	0.367	C	S	.	.	H	α-helix	trans	-60.4	-43.7	177	-61	-42.1	0	0	0	111.1	M222 S223 I229 G230 N250 I251 A254	M222-D226 HydrophobicContact CG-CB 3.89Å; S223-D226 WeakPolarHBondContact CB-OD2 3.1Å; S223-D226 PolarHBondContact N-OD2 2.81Å; S223-D226 PolarHBondContact O-N 3.2Å; S223-D226 PolarHBondContact OG-N 3.37Å; S223-D226 VanDerWaalsContact OG-N 3.11Å; S223-D226 PolarHBondContact OG-OD2 3.06Å; D226-I229 PolarHBondContact O-N 3.18Å; D226-G230 PolarHBondContact O-N 3.26Å; D226-N250 HydrophobicContact CB-CB 3.99Å; D226-N250 VanDerWaalsContact CG-CB 3.5Å; D226-N250 WeakPolarHBondContact OD2-CB 3.44Å; D226-N250 PolarHBondContact OD2-ND2 3.14Å; D226-I251 HydrophobicContact CB-CG1 4.29Å; D226-I251 WeakPolarHBondContact OD1-CG1 3.45Å; D226-A254 WeakPolarHBondContact O-CB 3.21Å
227	A	96.9	Very high	93	Very high	32 Å²	32	71 Å²	71	26%	0.264	36%	0.355	S	S	.	.	H	α-helix	trans	-61.5	-44.6	178	0	0	0	0	0	112.1	M222 S223 E224 A225 G230 K231	M222-A227 HydrophobicContact CE-CB 3.96Å; M222-A227 HydrophobicContact CG-CB 4.36Å; M222-A227 HydrophobicContact SD-CB 4.14Å; S223-A227 PolarHBondContact O-N 3.43Å; E224-A227 PolarHBondContact O-N 3.39Å; A225-A227 VanDerWaalsContact C-N 3.33Å; A225-A227 PolarHBondContact O-N 3.46Å; A227-G230 PolarHBondContact O-N 2.88Å; A227-K231 PolarHBondContact O-N 2.8Å
228	T	98.6	Very high	93.3	Very high	52 Å²	52	69.1 Å²	69.1	32%	0.319	35%	0.346	S	S	.	.	H	α-helix	trans	-64.1	-44.1	177.3	-59.9	0	0	0	0	111.5	E224 A225 G230 K231 L232 E418	E224-T228 WeakPolarHBondContact O-CB 3.02Å; E224-T228 PolarHBondContact O-N 2.78Å; E224-T228 PolarHBondContact O-OG1 3.26Å; A225-T228 PolarHBondContact O-N 3Å; T228-G230 VanDerWaalsContact C-N 3.33Å; T228-G230 PolarHBondContact O-N 3.12Å; T228-K231 PolarHBondContact O-N 3.38Å; T228-L232 HydrophobicContact CG2-CD1 4.22Å; T228-L232 WeakPolarHBondContact O-CG 3.28Å; T228-L232 PolarHBondContact O-N 2.56Å; T228-E418 HydrophobicContact CG2-CB 3.99Å; T228-E418 WeakPolarHBondContact CG2-O 3.32Å
229	I	98.5	Very high	94.1	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-58.8	-46.8	174	-70.1	164.6	0	0	0	110.5	A225 D226 K231 L232 I233 I251 A383 P385 V416 T417 E418	A225-I229 VanDerWaalsContact O-CG1 3.25Å; A225-I229 WeakPolarHBondContact O-CG1 3.28Å; A225-I229 PolarHBondContact O-N 2.81Å; D226-I229 PolarHBondContact O-N 3.18Å; I229-K231 VanDerWaalsContact C-N 3.32Å; I229-K231 PolarHBondContact O-N 3.3Å; I229-L232 PolarHBondContact O-N 3.29Å; I229-I233 HydrophobicContact CG2-CD1 3.77Å; I229-I233 WeakPolarHBondContact O-CG1 3.44Å; I229-I233 PolarHBondContact O-N 3.06Å; I229-I251 HydrophobicContact CD1-CD1 4.05Å; I229-I251 HydrophobicContact CD1-CG1 4.5Å; I229-I251 HydrophobicContact CG2-CD1 4.38Å; I229-I251 HydrophobicContact CG2-CG1 4.4Å; I229-I251 HydrophobicContact CG2-CG2 3.71Å; I229-A383 HydrophobicContact CG2-CB 3.85Å; I229-P385 HydrophobicContact CD1-CG 4.33Å; I229-V416 HydrophobicContact CG2-CG1 4.15Å; I229-T417 VanDerWaalsContact CG1-C 3.45Å; I229-E418 HydrophobicContact CG1-CB 4.14Å; I229-E418 VanDerWaalsContact CG1-N 3.31Å
230	G	97.8	Very high	95.3	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-55.9	-46.9	178.1	0	0	0	0	0	112.3	D226 A227 T228 I233 A234	D226-G230 PolarHBondContact O-N 3.26Å; A227-G230 PolarHBondContact O-N 2.88Å; T228-G230 VanDerWaalsContact C-N 3.33Å; T228-G230 PolarHBondContact O-N 3.12Å; G230-I233 PolarHBondContact O-N 3.45Å; G230-A234 WeakPolarHBondContact O-CB 3.34Å; G230-A234 PolarHBondContact O-N 3.04Å
231	K	98.4	Very high	96.3	Very high	99 Å²	99	54.5 Å²	54.5	43%	0.43	28%	0.279	S	S	.	.	H	α-helix	trans	-61.9	-48	176.3	-173.7	-179.3	179.9	-175.9	0	112.4	A227 T228 I229 I233 A234 E235 Q258	A227-K231 PolarHBondContact O-N 2.8Å; T228-K231 PolarHBondContact O-N 3.38Å; I229-K231 VanDerWaalsContact C-N 3.32Å; I229-K231 PolarHBondContact O-N 3.3Å; K231-I233 VanDerWaalsContact C-N 3.31Å; K231-I233 PolarHBondContact O-N 3.24Å; K231-A234 PolarHBondContact O-N 3.05Å; K231-E235 WeakPolarHBondContact CE-OE1 3.25Å; K231-E235 VanDerWaalsContact CE-OE2 3.25Å; K231-E235 WeakPolarHBondContact CE-OE2 3.48Å; K231-E235 HydrophobicContact CG-CG 4.15Å; K231-E235 IonicContact NZ-OE1 3.95Å; K231-E235 WeakPolarHBondContact O-CB 3.39Å; K231-E235 WeakPolarHBondContact O-CG 3.37Å; K231-E235 PolarHBondContact O-N 3.22Å; K231-Q258 HydrophobicContact CB-CG 4.37Å
232	L	98.8	Very high	97.2	Very high	39 Å²	39	44.9 Å²	44.9	20%	0.204	24%	0.237	C	C	.	.	H	α-helix	trans	-56.9	-45.2	178.5	-76	170	0	0	0	111.7	T228 I229 N236 V416 T417 I421	T228-L232 HydrophobicContact CG2-CD1 4.22Å; T228-L232 WeakPolarHBondContact O-CG 3.28Å; T228-L232 PolarHBondContact O-N 2.56Å; I229-L232 PolarHBondContact O-N 3.29Å; L232-N236 VanDerWaalsContact O-CB 3.27Å; L232-N236 WeakPolarHBondContact O-CB 3.5Å; L232-N236 PolarHBondContact O-N 2.79Å; L232-N236 PolarHBondContact O-ND2 3.14Å; L232-V416 HydrophobicContact CB-CG1 4.13Å; L232-V416 HydrophobicContact CD1-CG1 4.3Å; L232-T417 VanDerWaalsContact CD1-O 3.23Å; L232-T417 WeakPolarHBondContact CD1-O 3.43Å; L232-I421 HydrophobicContact CB-CD1 4.38Å; L232-I421 HydrophobicContact CB-CG1 4.43Å
233	I	98.6	Very high	97.8	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-66	-48.8	178.5	-66.9	167.7	0	0	0	110.9	I229 G230 K231 L237 V238 I251 V255 I341 I381 A383 V416	I229-I233 HydrophobicContact CG2-CD1 3.77Å; I229-I233 WeakPolarHBondContact O-CG1 3.44Å; I229-I233 PolarHBondContact O-N 3.06Å; G230-I233 PolarHBondContact O-N 3.45Å; K231-I233 VanDerWaalsContact C-N 3.31Å; K231-I233 PolarHBondContact O-N 3.24Å; I233-L237 HydrophobicContact CG1-CD1 4.49Å; I233-L237 WeakPolarHBondContact O-CA 3.32Å; I233-L237 WeakPolarHBondContact O-CB 3.22Å; I233-L237 PolarHBondContact O-N 3.28Å; I233-V238 HydrophobicContact CG2-CG2 4.04Å; I233-V238 PolarHBondContact O-N 3.32Å; I233-I251 HydrophobicContact CD1-CG2 4.49Å; I233-V255 HydrophobicContact CB-CG2 3.92Å; I233-V255 HydrophobicContact CD1-CG2 3.81Å; I233-V255 HydrophobicContact CG1-CG2 4.46Å; I233-V255 HydrophobicContact CG2-CG1 4.02Å; I233-V255 HydrophobicContact CG2-CG2 3.91Å; I233-I341 HydrophobicContact CD1-CG2 4.15Å; I233-I341 HydrophobicContact CG2-CD1 3.95Å; I233-I341 HydrophobicContact CG2-CG1 4.18Å; I233-I381 HydrophobicContact CD1-CG2 4.11Å; I233-I381 HydrophobicContact CG1-CG2 4.29Å; I233-I381 HydrophobicContact CG2-CD1 4.11Å; I233-A383 HydrophobicContact CD1-CB 3.73Å; I233-V416 HydrophobicContact CD1-CB 4.43Å; I233-V416 HydrophobicContact CD1-CG1 4.46Å; I233-V416 HydrophobicContact CG1-CB 4.26Å; I233-V416 HydrophobicContact CG1-CG1 4.04Å; I233-V416 HydrophobicContact CG1-CG2 4.06Å
234	A	98.3	Very high	98	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-63	-45.1	-176.9	0	0	0	0	0	112.7	G230 K231 Q258 L259 H262	G230-A234 WeakPolarHBondContact O-CB 3.34Å; G230-A234 PolarHBondContact O-N 3.04Å; K231-A234 PolarHBondContact O-N 3.05Å; A234-Q258 HydrophobicContact CB-CB 3.49Å; A234-Q258 VanDerWaalsContact CB-CB 3.49Å; A234-L259 HydrophobicContact CB-CD2 3.73Å; A234-L259 HydrophobicContact CB-CG 4.34Å; A234-H262 PolarHBondContact O-CE1 3.43Å; A234-H262 VanDerWaalsContact O-CE1 3.3Å; A234-H262 PolarHBondContact O-NE2 3.3Å
235	E	98.3	Very high	98.1	Very high	124 Å²	124	31 Å²	31	58%	0.579	17%	0.166	S	C	*	.	H	α-helix	trans	-78.2	-29	-175.3	-68.5	-178.5	166.7	0	0	113.4	K231	K231-E235 WeakPolarHBondContact CE-OE1 3.25Å; K231-E235 VanDerWaalsContact CE-OE2 3.25Å; K231-E235 WeakPolarHBondContact CE-OE2 3.48Å; K231-E235 HydrophobicContact CG-CG 4.15Å; K231-E235 IonicContact NZ-OE1 3.95Å; K231-E235 WeakPolarHBondContact O-CB 3.39Å; K231-E235 WeakPolarHBondContact O-CG 3.37Å; K231-E235 PolarHBondContact O-N 3.22Å
236	N	98.5	Very high	97.8	Very high	94 Å²	94	30.3 Å²	30.3	50%	0.503	16%	0.158	S	C	.	.	H	α-helix	trans	-113.6	-26.3	-169.8	-58.1	-88.1	0	0	0	114	L232 I421	L232-N236 VanDerWaalsContact O-CB 3.27Å; L232-N236 WeakPolarHBondContact O-CB 3.5Å; L232-N236 PolarHBondContact O-N 2.79Å; L232-N236 PolarHBondContact O-ND2 3.14Å; N236-I421 HydrophobicContact CB-CD1 3.71Å
237	L	98.5	Very high	97	Very high	10 Å²	10	30.6 Å²	30.6	5%	0.052	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.1	-35.5	-171.3	-57.4	179.5	0	0	0	112.6	I233 K379 I381 Y414 V416 I421	I233-L237 HydrophobicContact CG1-CD1 4.49Å; I233-L237 WeakPolarHBondContact O-CA 3.32Å; I233-L237 WeakPolarHBondContact O-CB 3.22Å; I233-L237 PolarHBondContact O-N 3.28Å; L237-K379 HydrophobicContact CB-CD 4.23Å; L237-K379 WeakPolarHBondContact O-CD 3.33Å; L237-K379 WeakPolarHBondContact O-CE 3.41Å; L237-K379 PolarHBondContact O-NZ 3.08Å; L237-I381 HydrophobicContact CB-CD1 3.81Å; L237-I381 HydrophobicContact CD1-CD1 3.6Å; L237-I381 HydrophobicContact CD1-CG1 3.98Å; L237-I381 HydrophobicContact CD1-CG2 4.38Å; L237-I381 HydrophobicContact CG-CD1 4.34Å; L237-Y414 HydrophobicContact CD1-CD1 4.23Å; L237-Y414 HydrophobicContact CD1-CG 4.42Å; L237-Y414 HydrophobicContact CD2-CD1 3.77Å; L237-Y414 HydrophobicContact CD2-CE1 3.67Å; L237-V416 HydrophobicContact CD1-CG2 3.95Å; L237-I421 HydrophobicContact CD1-CD1 4.17Å; L237-I421 HydrophobicContact CD1-CG2 4.27Å; L237-I421 HydrophobicContact CD2-CD1 4.37Å; L237-I421 HydrophobicContact CD2-CG2 4.47Å; L237-I421 HydrophobicContact CG-CD1 4.08Å
238	V	98.7	Very high	96.3	Very high	7 Å²	7	32.3 Å²	32.3	4%	0.042	17%	0.169	C	C	.	.			trans	-83.9	124.5	177.2	-176.5	0	0	0	0	110.3	I233 L244 L259 H262 L265 I341	I233-V238 HydrophobicContact CG2-CG2 4.04Å; I233-V238 PolarHBondContact O-N 3.32Å; V238-L244 HydrophobicContact CG1-CD2 3.89Å; V238-L244 HydrophobicContact CG2-CD2 4.3Å; V238-L259 HydrophobicContact CB-CD2 3.75Å; V238-L259 HydrophobicContact CG1-CD1 4.45Å; V238-L259 HydrophobicContact CG1-CD2 3.61Å; V238-L259 HydrophobicContact CG2-CD2 4.04Å; V238-H262 PolarHBondContact O-NE2 2.83Å; V238-H262 VanDerWaalsContact O-NE2 3.14Å; V238-L265 HydrophobicContact CG1-CD2 3.91Å; V238-I341 HydrophobicContact CG2-CD1 4.42Å
239	E	98.3	Very high	95.7	Very high	71 Å²	71	31.3 Å²	31.3	33%	0.332	17%	0.168	S	C	.	.			trans	-106.9	159.1	175.2	-66.9	171.5	-127.7	0	0	111.4	G241 S242 K337 K379	E239-G241 PolarHBondContact O-N 2.65Å; E239-S242 PolarHBondContact N-OG 2.82Å; E239-S242 WeakPolarHBondContact O-CB 3.15Å; E239-S242 PolarHBondContact O-N 3.23Å; E239-S242 VanDerWaalsContact O-N 3.1Å; E239-S242 PolarHBondContact O-OG 2.84Å; E239-K337 HydrophobicContact CB-CD 4.09Å; E239-K337 IonicContact OE2-NZ 2.85Å; E239-K337 PolarHBondContact OE2-NZ 3.28Å; E239-K379 IonicContact OE1-NZ 3.59Å; E239-K379 PolarHBondContact OE1-NZ 3.08Å
240	D	98.6	Very high	95.3	Very high	71 Å²	71	33.3 Å²	33.3	38%	0.38	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	138.4	166.8	-72.8	-8.7	0	0	0	111.4	S242 H262 K263 K337	D240-S242 VanDerWaalsContact C-N 3.29Å; D240-H262 WeakPolarHBondContact OD1-CA 3.46Å; D240-K263 WeakPolarHBondContact CA-O 3.44Å; D240-K263 HydrophobicContact CB-CB 4.46Å; D240-K263 PolarHBondContact OD1-N 2.83Å; D240-K337 PolarHBondContact O-NZ 2.94Å
241	G	98.3	Very high	95	Very high	4 Å²	4	33.7 Å²	33.7	4%	0.041	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.5	8.7	-175.2	0	0	0	0	0	115.6	E239 K263 D264	E239-G241 PolarHBondContact O-N 2.65Å; G241-K263 PolarHBondContact N-O 3.49Å; G241-D264 WeakPolarHBondContact CA-O 3.13Å
242	S	98.7	Very high	94.7	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.014	16%	0.163	C	C	.	.			trans	-71.4	145.5	176.5	-56.9	0	0	0	0	112.5	E239 D240 G266 K337	E239-S242 PolarHBondContact N-OG 2.82Å; E239-S242 WeakPolarHBondContact O-CB 3.15Å; E239-S242 PolarHBondContact O-N 3.23Å; E239-S242 VanDerWaalsContact O-N 3.1Å; E239-S242 PolarHBondContact O-OG 2.84Å; D240-S242 VanDerWaalsContact C-N 3.29Å; S242-G266 PolarHBondContact O-N 3.04Å; S242-K337 WeakPolarHBondContact CB-O 3.42Å
243	T	98.8	Very high	94.4	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.012	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	114.5	170.4	-53.7	0	0	0	0	109.6	G266 H268 K290 N335 P336 V338 C339	T243-G266 CarbonylContact C-O 3.5Å; T243-G266 WeakPolarHBondContact CA-O 3.36Å; T243-H268 HydrophobicContact CG2-CB 3.73Å; T243-K290 HydrophobicContact CG2-CD 4.02Å; T243-K290 HydrophobicContact CG2-CG 4.37Å; T243-N335 HydrophobicContact CG2-CB 3.87Å; T243-P336 WeakPolarHBondContact CB-O 3.42Å; T243-P336 PolarHBondContact N-O 3.46Å; T243-P336 VanDerWaalsContact N-O 3.08Å; T243-P336 WeakPolarHBondContact OG1-CD 3.21Å; T243-P336 PolarHBondContact OG1-O 3.4Å; T243-P336 VanDerWaalsContact OG1-O 3.11Å; T243-V338 CarbonylContact O-C 3.5Å; T243-V338 WeakPolarHBondContact O-CA 3.43Å; T243-C339 PolarHBondContact O-N 2.94Å
244	L	98.5	Very high	94.2	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	137.3	-174.6	-51.2	179.4	0	0	0	110.9	V238 M246 L259 L265 G266 V267 H268 C339	V238-L244 HydrophobicContact CG1-CD2 3.89Å; V238-L244 HydrophobicContact CG2-CD2 4.3Å; L244-M246 HydrophobicContact CB-CE 4.19Å; L244-M246 HydrophobicContact CD1-CE 3.87Å; L244-L259 HydrophobicContact CD1-CD1 3.55Å; L244-L265 HydrophobicContact CD1-CD1 4.17Å; L244-G266 PolarHBondContact N-O 2.86Å; L244-V267 HydrophobicContact CB-CG2 4.36Å; L244-V267 WeakPolarHBondContact O-CA 3.36Å; L244-H268 PolarHBondContact O-N 3.03Å; L244-C339 HydrophobicContact CD2-CB 3.88Å
245	Q	97.6	Very high	94.2	Very high	4 Å²	4	29.8 Å²	29.8	2%	0.019	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	133.8	153.8	173.5	-92.5	-30.7	0	0	108.4	C339 I341 N342 F366	Q245-C339 PolarHBondContact N-O 2.94Å; Q245-I341 PolarHBondContact O-N 3.24Å; Q245-N342 PolarHBondContact NE2-OD1 3.45Å; Q245-N342 VanDerWaalsContact NE2-OD1 3.11Å; Q245-N342 PolarHBondContact OE1-ND2 3.31Å; Q245-F366 HydrophobicContact CB-CB 4.42Å; Q245-F366 HydrophobicContact CB-CD1 3.38Å; Q245-F366 HydrophobicContact CB-CE1 3.65Å; Q245-F366 HydrophobicContact CB-CG 3.9Å; Q245-F366 HydrophobicContact CB-CZ 4.39Å; Q245-F366 HydrophobicContact CG-CB 4.01Å; Q245-F366 HydrophobicContact CG-CD1 3.42Å; Q245-F366 VanDerWaalsContact CG-CD1 3.42Å; Q245-F366 HydrophobicContact CG-CD2 3.72Å; Q245-F366 HydrophobicContact CG-CE1 3.7Å; Q245-F366 HydrophobicContact CG-CE2 3.99Å; Q245-F366 HydrophobicContact CG-CG 3.42Å; Q245-F366 VanDerWaalsContact CG-CG 3.42Å; Q245-F366 HydrophobicContact CG-CZ 3.99Å
246	M	88.8	Confident	94	Very high	10 Å²	10	24.3 Å²	24.3	5%	0.049	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	147.2	172.9	58.5	177	75	0	0	110.4	L244 P252 L256 T269 I341	L244-M246 HydrophobicContact CB-CE 4.19Å; L244-M246 HydrophobicContact CD1-CE 3.87Å; M246-P252 HydrophobicContact CB-CB 4.17Å; M246-P252 HydrophobicContact SD-CB 4.31Å; M246-L256 HydrophobicContact CE-CD2 3.45Å; M246-L256 VanDerWaalsContact CE-CD2 3.45Å; M246-L256 HydrophobicContact CE-CG 3.78Å; M246-L256 HydrophobicContact SD-CD1 3.41Å; M246-L256 WeakPolarHBondContact SD-CD1 3.41Å; M246-L256 HydrophobicContact SD-CD2 3.33Å; M246-L256 WeakPolarHBondContact SD-CD2 3.1Å; M246-L256 HydrophobicContact SD-CG 3.21Å; M246-L256 WeakPolarHBondContact SD-CG 3.22Å; M246-T269 PolarHBondContact O-OG1 2.86Å; M246-I341 HydrophobicContact CB-CB 4.44Å; M246-I341 HydrophobicContact CE-CD1 4.22Å
247	G	78.5	Confident	93.8	Very high	21 Å²	21	22.1 Å²	22.1	22%	0.216	13%	0.133	C	C	.	.			trans	-87.3	-162.1	175.4	0	0	0	0	0	113	P252	G247-P252 WeakPolarHBondContact O-CB 3.32Å; G247-P252 WeakPolarHBondContact O-CG 3.25Å
248	I	82.4	Confident	93.7	Very high	68 Å²	68	25.4 Å²	25.4	35%	0.349	15%	0.147	S	C	.	.	S	Bend	trans	-88.6	152.5	170.1	51.6	168.4	0	0	0	112	I217 M271 L303	I217-I248 HydrophobicContact CD1-CB 4.42Å; I217-I248 HydrophobicContact CD1-CD1 4.28Å; I217-I248 HydrophobicContact CD1-CG2 3.96Å; I248-M271 HydrophobicContact CB-CE 4.11Å; I248-M271 HydrophobicContact CD1-CE 3.96Å; I248-M271 HydrophobicContact CG1-CE 3.75Å; I248-M271 HydrophobicContact CG1-SD 4.02Å; I248-M271 HydrophobicContact CG2-CE 3.38Å; I248-M271 HydrophobicContact CG2-SD 4.37Å; I248-L303 HydrophobicContact CD1-CD2 4.27Å
249	G	85.7	Confident	93.7	Very high	30 Å²	30	25 Å²	25	31%	0.309	15%	0.145	S	C	.	.	S	Bend	trans	126.6	176.5	169.6	0	0	0	0	0	113.2	I251 P252 D253	G249-I251 VanDerWaalsContact C-N 3.32Å; G249-I251 PolarHBondContact O-N 3.43Å; G249-P252 VanDerWaalsContact O-CD 3.3Å; G249-P252 WeakPolarHBondContact O-CD 3.31Å; G249-D253 WeakPolarHBondContact O-CB 3.4Å; G249-D253 VanDerWaalsContact O-CG 3.22Å; G249-D253 PolarHBondContact O-N 3.12Å
250	N	90.2	Very high	93.6	Very high	42 Å²	42	26.7 Å²	26.7	23%	0.225	15%	0.152	C	C	.	.	H	α-helix	trans	-58.2	-39.5	-170.1	-67.8	4.7	0	0	0	114	D226 A254	D226-N250 HydrophobicContact CB-CB 3.99Å; D226-N250 VanDerWaalsContact CG-CB 3.5Å; D226-N250 WeakPolarHBondContact OD2-CB 3.44Å; D226-N250 PolarHBondContact OD2-ND2 3.14Å; N250-A254 WeakPolarHBondContact O-CB 3.23Å; N250-A254 PolarHBondContact O-N 3.15Å
251	I	92.5	Very high	93.5	Very high	9 Å²	9	30.4 Å²	30.4	5%	0.046	17%	0.171	C	C	.	.	H	α-helix	trans	-71.6	-51.2	-177.9	-66.6	172.7	0	0	0	111.4	D226 I229 I233 G249 D253 A254 V255 A383	D226-I251 HydrophobicContact CB-CG1 4.29Å; D226-I251 WeakPolarHBondContact OD1-CG1 3.45Å; I229-I251 HydrophobicContact CD1-CD1 4.05Å; I229-I251 HydrophobicContact CD1-CG1 4.5Å; I229-I251 HydrophobicContact CG2-CD1 4.38Å; I229-I251 HydrophobicContact CG2-CG1 4.4Å; I229-I251 HydrophobicContact CG2-CG2 3.71Å; I233-I251 HydrophobicContact CD1-CG2 4.49Å; G249-I251 VanDerWaalsContact C-N 3.32Å; G249-I251 PolarHBondContact O-N 3.43Å; I251-D253 VanDerWaalsContact C-N 3.29Å; I251-D253 PolarHBondContact O-N 2.83Å; I251-A254 WeakPolarHBondContact O-CB 3.13Å; I251-A254 PolarHBondContact O-N 3.42Å; I251-A254 VanDerWaalsContact O-N 3.16Å; I251-V255 WeakPolarHBondContact O-CG2 3.01Å; I251-V255 PolarHBondContact O-N 3.05Å; I251-A383 HydrophobicContact CD1-CB 4.38Å; I251-A383 WeakPolarHBondContact CD1-O 3.28Å; I251-A383 HydrophobicContact CG2-CB 3.71Å
252	P	92.1	Very high	93.5	Very high	7 Å²	7	31.7 Å²	31.7	5%	0.045	18%	0.176	C	C	.	.	H	α-helix	trans	-49.8	-48.3	169.5	-32.4	36.8	0	0	0	113.6	M246 G247 G249 A254 V255 L256	M246-P252 HydrophobicContact CB-CB 4.17Å; M246-P252 HydrophobicContact SD-CB 4.31Å; G247-P252 WeakPolarHBondContact O-CB 3.32Å; G247-P252 WeakPolarHBondContact O-CG 3.25Å; G249-P252 VanDerWaalsContact O-CD 3.3Å; G249-P252 WeakPolarHBondContact O-CD 3.31Å; P252-A254 VanDerWaalsContact C-N 3.32Å; P252-A254 PolarHBondContact O-N 3.36Å; P252-V255 PolarHBondContact O-N 3.18Å; P252-L256 WeakPolarHBondContact O-CG 3.34Å; P252-L256 PolarHBondContact O-N 2.7Å
253	D	92.6	Very high	93.5	Very high	48 Å²	48	38 Å²	38	26%	0.257	20%	0.203	S	C	.	.	H	α-helix	trans	-62.3	-40.4	178.7	-66.4	-19.4	0	0	0	111.6	G249 I251 L256 S257	G249-D253 WeakPolarHBondContact O-CB 3.4Å; G249-D253 VanDerWaalsContact O-CG 3.22Å; G249-D253 PolarHBondContact O-N 3.12Å; I251-D253 VanDerWaalsContact C-N 3.29Å; I251-D253 PolarHBondContact O-N 2.83Å; D253-L256 PolarHBondContact O-N 2.98Å; D253-S257 PolarHBondContact O-N 3.41Å
254	A	95.1	Very high	93.5	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-60.3	-47.4	174.9	0	0	0	0	0	111.1	M222 D226 N250 I251 P252 S257 Q258	M222-A254 HydrophobicContact CG-CB 4.5Å; M222-A254 HydrophobicContact SD-CB 3.41Å; M222-A254 WeakPolarHBondContact SD-CB 3.36Å; D226-A254 WeakPolarHBondContact O-CB 3.21Å; N250-A254 WeakPolarHBondContact O-CB 3.23Å; N250-A254 PolarHBondContact O-N 3.15Å; I251-A254 WeakPolarHBondContact O-CB 3.13Å; I251-A254 PolarHBondContact O-N 3.42Å; I251-A254 VanDerWaalsContact O-N 3.16Å; P252-A254 VanDerWaalsContact C-N 3.32Å; P252-A254 PolarHBondContact O-N 3.36Å; A254-S257 PolarHBondContact O-N 3.19Å; A254-S257 PolarHBondContact O-OG 3.38Å; A254-Q258 WeakPolarHBondContact O-CG 3.34Å; A254-Q258 PolarHBondContact O-N 3.24Å
255	V	96.9	Very high	93.5	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-59.3	-52.4	176.5	178.1	0	0	0	0	110	I233 I251 P252 S257 Q258 L259 I341	I233-V255 HydrophobicContact CB-CG2 3.92Å; I233-V255 HydrophobicContact CD1-CG2 3.81Å; I233-V255 HydrophobicContact CG1-CG2 4.46Å; I233-V255 HydrophobicContact CG2-CG1 4.02Å; I233-V255 HydrophobicContact CG2-CG2 3.91Å; I251-V255 WeakPolarHBondContact O-CG2 3.01Å; I251-V255 PolarHBondContact O-N 3.05Å; P252-V255 PolarHBondContact O-N 3.18Å; V255-S257 PolarHBondContact O-N 3.43Å; V255-Q258 PolarHBondContact O-N 3.18Å; V255-L259 HydrophobicContact CG1-CD1 3.8Å; V255-L259 HydrophobicContact CG1-CG 4.09Å; V255-L259 WeakPolarHBondContact O-CG 3.48Å; V255-L259 PolarHBondContact O-N 2.94Å; V255-I341 HydrophobicContact CG1-CD1 3.9Å; V255-I341 HydrophobicContact CG2-CG2 4.37Å
256	L	95.2	Very high	93.5	Very high	9 Å²	9	40.3 Å²	40.3	5%	0.047	22%	0.216	C	C	.	.	H	α-helix	trans	-53.2	-42.7	179.6	-72.1	168.9	0	0	0	112.1	M246 P252 D253 Q258 L259 V276 L279	M246-L256 HydrophobicContact CE-CD2 3.45Å; M246-L256 VanDerWaalsContact CE-CD2 3.45Å; M246-L256 HydrophobicContact CE-CG 3.78Å; M246-L256 HydrophobicContact SD-CD1 3.41Å; M246-L256 WeakPolarHBondContact SD-CD1 3.41Å; M246-L256 HydrophobicContact SD-CD2 3.33Å; M246-L256 WeakPolarHBondContact SD-CD2 3.1Å; M246-L256 HydrophobicContact SD-CG 3.21Å; M246-L256 WeakPolarHBondContact SD-CG 3.22Å; P252-L256 WeakPolarHBondContact O-CG 3.34Å; P252-L256 PolarHBondContact O-N 2.7Å; D253-L256 PolarHBondContact O-N 2.98Å; L256-Q258 PolarHBondContact O-N 2.77Å; L256-Q258 VanDerWaalsContact O-N 3.15Å; L256-L259 PolarHBondContact O-N 2.87Å; L256-L259 VanDerWaalsContact O-N 3.14Å; L256-V276 HydrophobicContact CD1-CG1 4.34Å; L256-V276 HydrophobicContact CD2-CG1 4.29Å; L256-L279 HydrophobicContact CD2-CD1 3.39Å; L256-L279 HydrophobicContact CD2-CG 4.24Å; L256-L279 WeakPolarHBondContact O-CD2 3.47Å
257	S	94.2	Very high	94	Very high	49 Å²	49	40.1 Å²	40.1	34%	0.343	22%	0.216	S	C	.	.	H	α-helix	trans	-60.4	-26.6	179.7	79.8	0	0	0	0	113.7	D253 A254 V255	D253-S257 PolarHBondContact O-N 3.41Å; A254-S257 PolarHBondContact O-N 3.19Å; A254-S257 PolarHBondContact O-OG 3.38Å; V255-S257 PolarHBondContact O-N 3.43Å
258	Q	96.9	Very high	95	Very high	78 Å²	78	39.2 Å²	39.2	36%	0.364	21%	0.206	S	C	.	.	H	α-helix	trans	-94.1	-5.5	-177.8	-58.7	-56.6	-58.6	0	0	113.4	K231 A234 A254 V255 L256	K231-Q258 HydrophobicContact CB-CG 4.37Å; A234-Q258 HydrophobicContact CB-CB 3.49Å; A234-Q258 VanDerWaalsContact CB-CB 3.49Å; A254-Q258 WeakPolarHBondContact O-CG 3.34Å; A254-Q258 PolarHBondContact O-N 3.24Å; V255-Q258 PolarHBondContact O-N 3.18Å; L256-Q258 PolarHBondContact O-N 2.77Å; L256-Q258 VanDerWaalsContact O-N 3.15Å
259	L	98	Very high	95.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.19	C	C	.	.			trans	-93.1	4	-174.7	-69.6	179.4	0	0	0	114.7	A234 V238 L244 V255 L256 N261 H262 L265 L279	A234-L259 HydrophobicContact CB-CD2 3.73Å; A234-L259 HydrophobicContact CB-CG 4.34Å; V238-L259 HydrophobicContact CB-CD2 3.75Å; V238-L259 HydrophobicContact CG1-CD1 4.45Å; V238-L259 HydrophobicContact CG1-CD2 3.61Å; V238-L259 HydrophobicContact CG2-CD2 4.04Å; L244-L259 HydrophobicContact CD1-CD1 3.55Å; V255-L259 HydrophobicContact CG1-CD1 3.8Å; V255-L259 HydrophobicContact CG1-CG 4.09Å; V255-L259 WeakPolarHBondContact O-CG 3.48Å; V255-L259 PolarHBondContact O-N 2.94Å; L256-L259 PolarHBondContact O-N 2.87Å; L256-L259 VanDerWaalsContact O-N 3.14Å; L259-N261 PolarHBondContact O-N 2.88Å; L259-N261 VanDerWaalsContact O-N 3.12Å; L259-H262 WeakPolarHBondContact CD2-CE1 3.49Å; L259-H262 WeakPolarHBondContact CD2-ND1 3.38Å; L259-H262 WeakPolarHBondContact O-CB 3.22Å; L259-H262 PolarHBondContact O-N 3.07Å; L259-H262 VanDerWaalsContact O-N 3.1Å; L259-L265 HydrophobicContact CB-CD1 3.99Å; L259-L265 HydrophobicContact CD1-CD1 4.18Å; L259-L265 HydrophobicContact CG-CD1 4.49Å; L259-L279 HydrophobicContact CB-CD1 3.88Å; L259-L279 HydrophobicContact CB-CD2 3.96Å; L259-L279 HydrophobicContact CD1-CD1 4.24Å
260	K	96.6	Very high	96.1	Very high	106 Å²	106	35.5 Å²	35.5	46%	0.461	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-19.6	-175.7	-66.3	-175.6	179.8	-173.4	0	114.5	L279	K260-L279 HydrophobicContact CG-CD2 3.83Å
261	N	96.1	Very high	96.3	Very high	149 Å²	149	34.5 Å²	34.5	80%	0.797	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.8	-6.5	179.2	-66.1	-38.9	0	0	0	113.4	L259	L259-N261 PolarHBondContact O-N 2.88Å; L259-N261 VanDerWaalsContact O-N 3.12Å
262	H	98.4	Very high	96.4	Very high	31 Å²	31	34.2 Å²	34.2	14%	0.144	17%	0.172	C	C	.	.			trans	-75.4	163.3	174.2	-66.6	65.6	0	0	0	110.6	A234 V238 D240 L259 L265 A284	A234-H262 PolarHBondContact O-CE1 3.43Å; A234-H262 VanDerWaalsContact O-CE1 3.3Å; A234-H262 PolarHBondContact O-NE2 3.3Å; V238-H262 PolarHBondContact O-NE2 2.83Å; V238-H262 VanDerWaalsContact O-NE2 3.14Å; D240-H262 WeakPolarHBondContact OD1-CA 3.46Å; L259-H262 WeakPolarHBondContact CD2-CE1 3.49Å; L259-H262 WeakPolarHBondContact CD2-ND1 3.38Å; L259-H262 WeakPolarHBondContact O-CB 3.22Å; L259-H262 PolarHBondContact O-N 3.07Å; L259-H262 VanDerWaalsContact O-N 3.1Å; H262-L265 HydrophobicContact CB-CD1 3.7Å; H262-L265 HydrophobicContact CB-CD2 4.11Å; H262-L265 HydrophobicContact CB-CG 3.94Å; H262-A284 VanDerWaalsContact O-CA 3.29Å; H262-A284 WeakPolarHBondContact O-CA 3.36Å; H262-A284 WeakPolarHBondContact O-CB 3.39Å
263	K	98.4	Very high	96.5	Very high	133 Å²	133	34.8 Å²	34.8	58%	0.578	18%	0.176	S	C	*	.			trans	-127.7	144.9	-176.1	-61.4	177.8	-177.2	175.6	0	112.1	D240 G241 L265	D240-K263 WeakPolarHBondContact CA-O 3.44Å; D240-K263 HydrophobicContact CB-CB 4.46Å; D240-K263 PolarHBondContact OD1-N 2.83Å; G241-K263 PolarHBondContact N-O 3.49Å; K263-L265 PolarHBondContact O-N 2.89Å
264	D	98.4	Very high	96.5	Very high	54 Å²	54	33.6 Å²	33.6	29%	0.289	17%	0.17	S	C	.	.	S	Bend	trans	55.3	32.4	174.5	-53.9	-49.5	0	0	0	114.2	G241 A284 T286 K289	G241-D264 WeakPolarHBondContact CA-O 3.13Å; D264-A284 PolarHBondContact N-O 2.84Å; D264-T286 WeakPolarHBondContact CA-OG1 3.38Å; D264-K289 HydrophobicContact CB-CD 3.72Å; D264-K289 HydrophobicContact CB-CG 4.08Å; D264-K289 WeakPolarHBondContact OD2-CE 3.2Å; D264-K289 IonicContact OD2-NZ 2.7Å; D264-K289 PolarHBondContact OD2-NZ 2.72Å
265	L	98.8	Very high	96.4	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-63	144.4	175.2	-62.3	174.2	0	0	0	109.9	V238 L244 L259 H262 K263 L279 A284 L285 T286 N287	V238-L265 HydrophobicContact CG1-CD2 3.91Å; L244-L265 HydrophobicContact CD1-CD1 4.17Å; L259-L265 HydrophobicContact CB-CD1 3.99Å; L259-L265 HydrophobicContact CD1-CD1 4.18Å; L259-L265 HydrophobicContact CG-CD1 4.49Å; H262-L265 HydrophobicContact CB-CD1 3.7Å; H262-L265 HydrophobicContact CB-CD2 4.11Å; H262-L265 HydrophobicContact CB-CG 3.94Å; K263-L265 PolarHBondContact O-N 2.89Å; L265-L279 HydrophobicContact CD1-CD1 4.42Å; L265-A284 WeakPolarHBondContact CB-O 3.45Å; L265-A284 PolarHBondContact N-O 3.08Å; L265-L285 HydrophobicContact CB-CB 4.36Å; L265-L285 HydrophobicContact CB-CG 4.41Å; L265-L285 WeakPolarHBondContact O-CA 3.46Å; L265-T286 PolarHBondContact O-N 2.77Å; L265-N287 PolarHBondContact O-N 2.73Å
266	G	98.7	Very high	96.3	Very high	2 Å²	2	34.6 Å²	34.6	2%	0.021	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	162	171	0	0	0	0	0	111.7	S242 T243 L244 N287	S242-G266 PolarHBondContact O-N 3.04Å; T243-G266 CarbonylContact C-O 3.5Å; T243-G266 WeakPolarHBondContact CA-O 3.36Å; L244-G266 PolarHBondContact N-O 2.86Å; G266-N287 WeakPolarHBondContact CA-OD1 3.45Å
267	V	98.7	Very high	96.3	Very high	6 Å²	6	34.2 Å²	34.2	4%	0.036	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	126.5	173	170.3	0	0	0	0	110.2	L244 T269 L285 N287 K290 L297 V298	L244-V267 HydrophobicContact CB-CG2 4.36Å; L244-V267 WeakPolarHBondContact O-CA 3.36Å; V267-T269 HydrophobicContact CG1-CG2 3.6Å; V267-L285 HydrophobicContact CG2-CD1 3.56Å; V267-L285 HydrophobicContact CG2-CD2 4.43Å; V267-L285 HydrophobicContact CG2-CG 4.18Å; V267-N287 PolarHBondContact N-OD1 2.98Å; V267-K290 PolarHBondContact O-NZ 2.91Å; V267-L297 HydrophobicContact CB-CD1 4.23Å; V267-L297 HydrophobicContact CB-CG 3.99Å; V267-L297 HydrophobicContact CG1-CD1 4.22Å; V267-L297 HydrophobicContact CG1-CD2 4.3Å; V267-L297 HydrophobicContact CG1-CG 3.9Å; V267-V298 PolarHBondContact O-N 3.13Å
268	H	98.6	Very high	96.3	Very high	3 Å²	3	34.9 Å²	34.9	1%	0.014	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-138.3	104.4	166.8	-176.8	112.9	0	0	0	105.4	T243 L244 W325 I326 N335 F366	T243-H268 HydrophobicContact CG2-CB 3.73Å; L244-H268 PolarHBondContact O-N 3.03Å; H268-W325 AromaticContact CE1-CH2 3.69Å; H268-W325 AromaticContact CE1-CZ3 3.79Å; H268-I326 PolarHBondContact NE2-O 2.95Å; H268-N335 PolarHBondContact ND1-ND2 2.91Å; H268-F366 AromaticContact CD2-CE1 3.84Å; H268-F366 AromaticContact CD2-CZ 3.91Å; H268-F366 WeakPolarHBondContact O-CE1 3.24Å
269	T	97.4	Very high	96.4	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.012	16%	0.159	C	C	.	.			trans	-139.4	160.1	-167.3	-172.3	0	0	0	0	110.7	M246 V267 M271 F272 V298 S299 I326	M246-T269 PolarHBondContact O-OG1 2.86Å; V267-T269 HydrophobicContact CG1-CG2 3.6Å; T269-M271 WeakPolarHBondContact CG2-O 3.36Å; T269-M271 PolarHBondContact OG1-N 3.32Å; T269-M271 PolarHBondContact OG1-O 3.12Å; T269-F272 HydrophobicContact CG2-CB 4.13Å; T269-V298 PolarHBondContact N-O 3Å; T269-S299 VanDerWaalsContact O-CA 3.28Å; T269-S299 WeakPolarHBondContact O-CA 3.4Å; T269-I326 WeakPolarHBondContact O-CG2 3.28Å
270	E	94.4	Very high	96.4	Very high	17 Å²	17	32.4 Å²	32.4	8%	0.079	17%	0.165	C	C	.	.	S	Bend	trans	-64.6	-49.1	165.7	168.9	-174.2	150.6	0	0	110.4	L133 S299 A300 F301 G362 F366	L133-E270 HydrophobicContact CD2-CG 3.39Å; L133-E270 WeakPolarHBondContact CD2-OE1 3.3Å; L133-E270 WeakPolarHBondContact CD2-OE2 3.47Å; E270-S299 PolarHBondContact O-OG 2.82Å; E270-S299 VanDerWaalsContact O-OG 3.13Å; E270-A300 WeakPolarHBondContact O-CA 3.21Å; E270-A300 VanDerWaalsContact O-CB 3.29Å; E270-A300 WeakPolarHBondContact O-CB 3.39Å; E270-A300 PolarHBondContact O-N 2.7Å; E270-F301 HydrophobicContact CG-CD1 4.2Å; E270-F301 HydrophobicContact CG-CE1 3.31Å; E270-F301 HydrophobicContact CG-CZ 3.76Å; E270-F301 PolarHBondContact O-N 3.3Å; E270-F301 WeakPolarHBondContact OE1-CE1 3.38Å; E270-F301 WeakPolarHBondContact OE1-CZ 3.26Å; E270-G362 WeakPolarHBondContact OE2-CA 3.39Å; E270-G362 PolarHBondContact OE2-N 3.11Å; E270-F366 HydrophobicContact CB-CE2 3.95Å
271	M	93.8	Very high	96.4	Very high	21 Å²	21	32.7 Å²	32.7	10%	0.103	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	156.7	-175.5	72.2	171.1	-54.9	0	0	112.4	I248 T269 S299 F301 L303	I248-M271 HydrophobicContact CB-CE 4.11Å; I248-M271 HydrophobicContact CD1-CE 3.96Å; I248-M271 HydrophobicContact CG1-CE 3.75Å; I248-M271 HydrophobicContact CG1-SD 4.02Å; I248-M271 HydrophobicContact CG2-CE 3.38Å; I248-M271 HydrophobicContact CG2-SD 4.37Å; T269-M271 WeakPolarHBondContact CG2-O 3.36Å; T269-M271 PolarHBondContact OG1-N 3.32Å; T269-M271 PolarHBondContact OG1-O 3.12Å; M271-S299 WeakPolarHBondContact CA-OG 3.26Å; M271-F301 VanDerWaalsContact CA-O 3.31Å; M271-F301 WeakPolarHBondContact CA-O 3.3Å; M271-F301 HydrophobicContact CB-CD1 4.37Å; M271-F301 HydrophobicContact CB-CD2 3.58Å; M271-F301 HydrophobicContact CB-CE1 4.13Å; M271-F301 HydrophobicContact CB-CE2 3.31Å; M271-F301 HydrophobicContact CB-CG 4.13Å; M271-F301 HydrophobicContact CB-CZ 3.61Å; M271-F301 HydrophobicContact CE-CD2 4.31Å; M271-F301 HydrophobicContact CE-CE2 3.74Å; M271-F301 HydrophobicContact CG-CE2 4Å; M271-F301 HydrophobicContact CG-CZ 4.17Å; M271-F301 HydrophobicContact SD-CE2 3.7Å; M271-F301 HydrophobicContact SD-CZ 4.06Å; M271-L303 HydrophobicContact CE-CB 4.23Å
272	F	95	Very high	96.4	Very high	4 Å²	4	28.3 Å²	28.3	2%	0.018	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	168	171.7	76	-75.1	0	0	0	112.3	T269 V276 L297 S299 F301 A302 L303 L308 W311 M312 L318 M320	T269-F272 HydrophobicContact CG2-CB 4.13Å; F272-V276 HydrophobicContact CB-CG1 4.2Å; F272-V276 HydrophobicContact CD2-CG1 4.47Å; F272-V276 HydrophobicContact CD2-CG2 3.38Å; F272-V276 HydrophobicContact CE2-CG2 3.87Å; F272-V276 HydrophobicContact CG-CG2 4.36Å; F272-L297 HydrophobicContact CD1-CD2 3.96Å; F272-L297 HydrophobicContact CD2-CD1 4.47Å; F272-L297 HydrophobicContact CD2-CD2 4.48Å; F272-L297 HydrophobicContact CE1-CD2 3.81Å; F272-L297 HydrophobicContact CE2-CD1 4.4Å; F272-L297 HydrophobicContact CE2-CD2 4.28Å; F272-L297 HydrophobicContact CG-CD2 4.28Å; F272-L297 HydrophobicContact CZ-CD2 3.97Å; F272-S299 VanDerWaalsContact CD1-CB 3.46Å; F272-S299 WeakPolarHBondContact CD1-OG 3.4Å; F272-F301 PolarHBondContact N-O 2.76Å; F272-A302 HydrophobicContact CD1-CB 3.86Å; F272-A302 HydrophobicContact CE1-CB 3.57Å; F272-A302 HydrophobicContact CZ-CB 4.07Å; F272-A302 WeakPolarHBondContact O-CA 3.11Å; F272-L303 PolarHBondContact O-N 3.33Å; F272-L303 VanDerWaalsContact O-N 3.13Å; F272-L308 HydrophobicContact CD2-CD1 4Å; F272-L308 HydrophobicContact CE2-CD1 3.35Å; F272-L308 HydrophobicContact CZ-CD1 4Å; F272-W311 HydrophobicContact CE2-CZ3 4.14Å; F272-W311 HydrophobicContact CZ-CZ3 4.13Å; F272-M312 HydrophobicContact CE1-CE 4.36Å; F272-M312 HydrophobicContact CZ-CE 4.27Å; F272-M312 HydrophobicContact CZ-CG 4.09Å; F272-M312 HydrophobicContact CZ-SD 4.11Å; F272-L318 HydrophobicContact CE1-CD1 4Å; F272-L318 HydrophobicContact CZ-CD1 3.92Å; F272-M320 HydrophobicContact CE1-SD 4.28Å
273	S	93.6	Very high	96.4	Very high	18 Å²	18	28.9 Å²	28.9	13%	0.126	17%	0.168	C	C	.	.			trans	-138.9	-176.2	178.4	-160.7	0	0	0	0	110.8	G275 V276 L303	S273-G275 PolarHBondContact O-N 2.96Å; S273-V276 PolarHBondContact O-N 3Å; S273-L303 WeakPolarHBondContact CA-O 3.13Å; S273-L303 WeakPolarHBondContact CB-O 3.26Å; S273-L303 PolarHBondContact OG-O 2.73Å
274	D	93.7	Very high	96.4	Very high	24 Å²	24	22.7 Å²	22.7	13%	0.128	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-31.9	-171.1	-65.1	-115.5	0	0	0	114.7	V276 L277 G304 T305	D274-V276 PolarHBondContact O-N 2.88Å; D274-V276 VanDerWaalsContact O-N 3.1Å; D274-L277 VanDerWaalsContact O-CB 3.27Å; D274-L277 WeakPolarHBondContact O-CB 3.44Å; D274-L277 WeakPolarHBondContact O-CG 3.36Å; D274-L277 PolarHBondContact O-N 2.81Å; D274-G304 WeakPolarHBondContact OD2-CA 3.34Å; D274-T305 WeakPolarHBondContact OD1-CB 3.44Å; D274-T305 WeakPolarHBondContact OD1-CG2 3.46Å; D274-T305 PolarHBondContact OD1-N 3.41Å; D274-T305 PolarHBondContact OD1-OG1 3.29Å; D274-T305 PolarHBondContact OD2-N 3.46Å
275	G	91.8	Very high	96.4	Very high	16 Å²	16	20.3 Å²	20.3	17%	0.165	13%	0.128	C	C	.	.	H	α-helix	trans	-60.6	-24.3	-173.9	0	0	0	0	0	114.6	S273 L277	S273-G275 PolarHBondContact O-N 2.96Å; G275-L277 VanDerWaalsContact C-N 3.26Å; G275-L277 PolarHBondContact O-N 2.75Å
276	V	95.2	Very high	96.4	Very high	4 Å²	4	22.5 Å²	22.5	2%	0.024	14%	0.142	C	C	.	.	H	α-helix	trans	-70	-26.3	175.9	-51.2	0	0	0	0	112.1	L256 F272 S273 D274 D278 L279 I280 L285 L297	L256-V276 HydrophobicContact CD1-CG1 4.34Å; L256-V276 HydrophobicContact CD2-CG1 4.29Å; F272-V276 HydrophobicContact CB-CG1 4.2Å; F272-V276 HydrophobicContact CD2-CG1 4.47Å; F272-V276 HydrophobicContact CD2-CG2 3.38Å; F272-V276 HydrophobicContact CE2-CG2 3.87Å; F272-V276 HydrophobicContact CG-CG2 4.36Å; S273-V276 PolarHBondContact O-N 3Å; D274-V276 PolarHBondContact O-N 2.88Å; D274-V276 VanDerWaalsContact O-N 3.1Å; V276-D278 VanDerWaalsContact C-N 3.33Å; V276-L279 PolarHBondContact O-N 3.35Å; V276-I280 WeakPolarHBondContact O-CG1 3.5Å; V276-I280 PolarHBondContact O-N 3.38Å; V276-I280 VanDerWaalsContact O-N 3.09Å; V276-L285 HydrophobicContact CB-CD1 4.15Å; V276-L297 HydrophobicContact CB-CD1 4.4Å; V276-L297 HydrophobicContact CG2-CD1 3.82Å
277	L	95.8	Very high	96.4	Very high	2 Å²	2	22.4 Å²	22.4	1%	0.01	14%	0.141	C	C	.	.	H	α-helix	trans	-66.4	-39.8	-179.6	-56.4	-170.4	0	0	0	110.8	D274 G275 L279 I280 D281 R307 L308 W311	D274-L277 VanDerWaalsContact O-CB 3.27Å; D274-L277 WeakPolarHBondContact O-CB 3.44Å; D274-L277 WeakPolarHBondContact O-CG 3.36Å; D274-L277 PolarHBondContact O-N 2.81Å; G275-L277 VanDerWaalsContact C-N 3.26Å; G275-L277 PolarHBondContact O-N 2.75Å; L277-L279 PolarHBondContact O-N 2.63Å; L277-I280 HydrophobicContact CD2-CD1 4.35Å; L277-I280 WeakPolarHBondContact O-CB 3.31Å; L277-I280 PolarHBondContact O-N 3.5Å; L277-I280 VanDerWaalsContact O-N 3.1Å; L277-D281 WeakPolarHBondContact O-CB 3.32Å; L277-D281 VanDerWaalsContact O-CG 3.23Å; L277-D281 PolarHBondContact O-N 3.3Å; L277-R307 HydrophobicContact CD1-CG 4.26Å; L277-L308 HydrophobicContact CD1-CD1 4.17Å; L277-L308 HydrophobicContact CD2-CD1 4.3Å; L277-L308 HydrophobicContact CG-CD1 4.35Å; L277-W311 HydrophobicContact CD1-CB 3.9Å; L277-W311 HydrophobicContact CD1-CD2 4.49Å; L277-W311 HydrophobicContact CD1-CG 4.01Å; L277-W311 HydrophobicContact CD2-CB 4.33Å; L277-W311 HydrophobicContact CD2-CD2 3.3Å; L277-W311 HydrophobicContact CD2-CE3 3.59Å; L277-W311 HydrophobicContact CD2-CG 3.62Å; L277-W311 HydrophobicContact CD2-CH2 4.35Å; L277-W311 HydrophobicContact CD2-CZ2 4.11Å; L277-W311 HydrophobicContact CD2-CZ3 4.11Å; L277-W311 HydrophobicContact CG-CG 4.47Å
278	D	95.1	Very high	96.3	Very high	62 Å²	62	25 Å²	25	33%	0.332	16%	0.163	S	C	.	.	H	α-helix	trans	-63.2	-30.7	177.4	-65.4	-13.2	0	0	0	112	V276 S282 R307	V276-D278 VanDerWaalsContact C-N 3.33Å; D278-S282 WeakPolarHBondContact O-CB 3.45Å; D278-S282 PolarHBondContact O-N 3.08Å; D278-S282 VanDerWaalsContact O-N 3.14Å; D278-S282 PolarHBondContact O-OG 3.04Å; D278-R307 IonicContact OD1-CZ 3.91Å; D278-R307 VanDerWaalsContact OD1-CZ 3.27Å; D278-R307 IonicContact OD1-NH1 3.02Å; D278-R307 PolarHBondContact OD1-NH1 3.31Å; D278-R307 IonicContact OD1-NH2 2.84Å; D278-R307 PolarHBondContact OD1-NH2 3.42Å
279	L	97.2	Very high	96.3	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-75.2	-35.7	174.1	-67.2	-172.8	0	0	0	112.7	L256 L259 K260 L265 V276 L277 S282 G283 A284 L285	L256-L279 HydrophobicContact CD2-CD1 3.39Å; L256-L279 HydrophobicContact CD2-CG 4.24Å; L256-L279 WeakPolarHBondContact O-CD2 3.47Å; L259-L279 HydrophobicContact CB-CD1 3.88Å; L259-L279 HydrophobicContact CB-CD2 3.96Å; L259-L279 HydrophobicContact CD1-CD1 4.24Å; K260-L279 HydrophobicContact CG-CD2 3.83Å; L265-L279 HydrophobicContact CD1-CD1 4.42Å; V276-L279 PolarHBondContact O-N 3.35Å; L277-L279 PolarHBondContact O-N 2.63Å; L279-S282 WeakPolarHBondContact CA-OG 3.38Å; L279-S282 PolarHBondContact O-N 3.36Å; L279-S282 PolarHBondContact O-OG 3.1Å; L279-G283 PolarHBondContact O-N 3.43Å; L279-A284 HydrophobicContact CD2-CB 4.35Å; L279-A284 PolarHBondContact O-N 2.96Å; L279-A284 VanDerWaalsContact O-N 3.14Å; L279-L285 HydrophobicContact CB-CB 3.73Å; L279-L285 HydrophobicContact CB-CD1 4.12Å; L279-L285 PolarHBondContact O-N 3.33Å
280	I	97.9	Very high	96.4	Very high	25 Å²	25	30.1 Å²	30.1	13%	0.128	19%	0.185	C	C	.	.	H	α-helix	trans	-63.2	-49.2	172.5	-67.9	168.7	0	0	0	109.7	V276 L277 S282 G283 L285 L297 W311 M317	V276-I280 WeakPolarHBondContact O-CG1 3.5Å; V276-I280 PolarHBondContact O-N 3.38Å; V276-I280 VanDerWaalsContact O-N 3.09Å; L277-I280 HydrophobicContact CD2-CD1 4.35Å; L277-I280 WeakPolarHBondContact O-CB 3.31Å; L277-I280 PolarHBondContact O-N 3.5Å; L277-I280 VanDerWaalsContact O-N 3.1Å; I280-S282 PolarHBondContact O-N 2.92Å; I280-G283 PolarHBondContact O-N 3.17Å; I280-L285 HydrophobicContact CD1-CD2 4.48Å; I280-L285 HydrophobicContact CG1-CB 4.18Å; I280-L285 HydrophobicContact CG1-CD1 4.21Å; I280-L285 HydrophobicContact CG1-CD2 3.92Å; I280-L285 HydrophobicContact CG1-CG 4.32Å; I280-L297 HydrophobicContact CD1-CD1 4.32Å; I280-W311 HydrophobicContact CD1-CH2 4.02Å; I280-W311 HydrophobicContact CD1-CZ2 3.54Å; I280-M317 HydrophobicContact CG2-CE 4.04Å
281	D	96.8	Very high	96.5	Very high	112 Å²	112	33.7 Å²	33.7	60%	0.599	21%	0.208	S	C	*	.	H	α-helix	trans	-60.4	-33.7	-179.5	-67.7	-21	0	0	0	111.6	L277 G283 R307	L277-D281 WeakPolarHBondContact O-CB 3.32Å; L277-D281 VanDerWaalsContact O-CG 3.23Å; L277-D281 PolarHBondContact O-N 3.3Å; D281-G283 VanDerWaalsContact C-N 3.32Å; D281-R307 IonicContact OD2-NH2 2.74Å; D281-R307 PolarHBondContact OD2-NH2 2.89Å
282	S	97.4	Very high	96.7	Very high	57 Å²	57	33.9 Å²	33.9	40%	0.399	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-13.2	175.2	73.1	0	0	0	0	114.8	D278 L279 I280 A284	D278-S282 WeakPolarHBondContact O-CB 3.45Å; D278-S282 PolarHBondContact O-N 3.08Å; D278-S282 VanDerWaalsContact O-N 3.14Å; D278-S282 PolarHBondContact O-OG 3.04Å; L279-S282 WeakPolarHBondContact CA-OG 3.38Å; L279-S282 PolarHBondContact O-N 3.36Å; L279-S282 PolarHBondContact O-OG 3.1Å; I280-S282 PolarHBondContact O-N 2.92Å; S282-A284 VanDerWaalsContact C-N 3.26Å; S282-A284 PolarHBondContact O-N 2.99Å; S282-A284 WeakPolarHBondContact OG-CB 3.29Å; S282-A284 PolarHBondContact OG-N 2.92Å
283	G	97.4	Very high	96.8	Very high	44 Å²	44	36.6 Å²	36.6	45%	0.454	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.9	0.1	-173.3	0	0	0	0	0	115	L279 I280 D281 T286	L279-G283 PolarHBondContact O-N 3.43Å; I280-G283 PolarHBondContact O-N 3.17Å; D281-G283 VanDerWaalsContact C-N 3.32Å; G283-T286 VanDerWaalsContact O-CG2 3.32Å; G283-T286 WeakPolarHBondContact O-CG2 3.41Å
284	A	98.4	Very high	97	Very high	3 Å²	3	39.9 Å²	39.9	3%	0.025	24%	0.242	C	C	.	.	S	Bend	trans	-67.2	-36.1	176	0	0	0	0	0	112.3	H262 D264 L265 L279 S282	H262-A284 VanDerWaalsContact O-CA 3.29Å; H262-A284 WeakPolarHBondContact O-CA 3.36Å; H262-A284 WeakPolarHBondContact O-CB 3.39Å; D264-A284 PolarHBondContact N-O 2.84Å; L265-A284 WeakPolarHBondContact CB-O 3.45Å; L265-A284 PolarHBondContact N-O 3.08Å; L279-A284 HydrophobicContact CD2-CB 4.35Å; L279-A284 PolarHBondContact O-N 2.96Å; L279-A284 VanDerWaalsContact O-N 3.14Å; S282-A284 VanDerWaalsContact C-N 3.26Å; S282-A284 PolarHBondContact O-N 2.99Å; S282-A284 WeakPolarHBondContact OG-CB 3.29Å; S282-A284 PolarHBondContact OG-N 2.92Å
285	L	98.5	Very high	97.2	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.016	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-105.8	106.6	179.7	-166.2	175.4	0	0	0	110.3	L265 V267 V276 L279 I280 N287	L265-L285 HydrophobicContact CB-CB 4.36Å; L265-L285 HydrophobicContact CB-CG 4.41Å; L265-L285 WeakPolarHBondContact O-CA 3.46Å; V267-L285 HydrophobicContact CG2-CD1 3.56Å; V267-L285 HydrophobicContact CG2-CD2 4.43Å; V267-L285 HydrophobicContact CG2-CG 4.18Å; V276-L285 HydrophobicContact CB-CD1 4.15Å; L279-L285 HydrophobicContact CB-CB 3.73Å; L279-L285 HydrophobicContact CB-CD1 4.12Å; L279-L285 PolarHBondContact O-N 3.33Å; I280-L285 HydrophobicContact CD1-CD2 4.48Å; I280-L285 HydrophobicContact CG1-CB 4.18Å; I280-L285 HydrophobicContact CG1-CD1 4.21Å; I280-L285 HydrophobicContact CG1-CD2 3.92Å; I280-L285 HydrophobicContact CG1-CG 4.32Å; L285-N287 WeakPolarHBondContact CD2-ND2 3.09Å
286	T	98.4	Very high	97.6	Very high	46 Å²	46	42.7 Å²	42.7	28%	0.282	26%	0.258	S	S	.	.			trans	-117.5	-17.2	-177.1	68.7	0	0	0	0	113.2	D264 L265 G283 A288	D264-T286 WeakPolarHBondContact CA-OG1 3.38Å; L265-T286 PolarHBondContact O-N 2.77Å; G283-T286 VanDerWaalsContact O-CG2 3.32Å; G283-T286 WeakPolarHBondContact O-CG2 3.41Å; T286-A288 PolarHBondContact O-N 3.13Å; T286-A288 WeakPolarHBondContact OG1-CB 3.28Å; T286-A288 PolarHBondContact OG1-N 3.33Å
287	N	98.6	Very high	97.7	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	26%	0.257	C	S	.	.			trans	57	9.1	-169.8	-55.8	-73.9	0	0	0	114.8	L265 G266 V267 L285 K289 K290 G295 K296 L297	L265-N287 PolarHBondContact O-N 2.73Å; G266-N287 WeakPolarHBondContact CA-OD1 3.45Å; V267-N287 PolarHBondContact N-OD1 2.98Å; L285-N287 WeakPolarHBondContact CD2-ND2 3.09Å; N287-K289 VanDerWaalsContact C-N 3.28Å; N287-K289 PolarHBondContact O-N 2.82Å; N287-K290 HydrophobicContact CB-CD 4.18Å; N287-K290 HydrophobicContact CB-CG 4.34Å; N287-K290 PolarHBondContact O-N 3Å; N287-G295 PolarHBondContact O-N 3.33Å; N287-K296 VanDerWaalsContact CB-O 3.25Å; N287-K296 WeakPolarHBondContact CB-O 3.06Å; N287-K296 PolarHBondContact OD1-O 3.07Å; N287-L297 PolarHBondContact ND2-N 3.28Å
288	A	98.3	Very high	97.9	Very high	60 Å²	60	42.4 Å²	42.4	50%	0.496	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-29	-169.8	0	0	0	0	0	113.5	T286	T286-A288 PolarHBondContact O-N 3.13Å; T286-A288 WeakPolarHBondContact OG1-CB 3.28Å; T286-A288 PolarHBondContact OG1-N 3.33Å
289	K	98.1	Very high	98	Very high	105 Å²	105	39.5 Å²	39.5	46%	0.457	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-7.2	-177.8	-70.6	-178.5	179.8	157.7	0	114.4	D264 N287 P336	D264-K289 HydrophobicContact CB-CD 3.72Å; D264-K289 HydrophobicContact CB-CG 4.08Å; D264-K289 WeakPolarHBondContact OD2-CE 3.2Å; D264-K289 IonicContact OD2-NZ 2.7Å; D264-K289 PolarHBondContact OD2-NZ 2.72Å; N287-K289 VanDerWaalsContact C-N 3.28Å; N287-K289 PolarHBondContact O-N 2.82Å; K289-P336 WeakPolarHBondContact O-CG 3.44Å
290	K	98.5	Very high	98	Very high	8 Å²	8	39.4 Å²	39.4	4%	0.035	24%	0.24	C	C	.	.			trans	-63.3	148.5	179.9	-59.6	-164.6	-30.2	-178.3	0	110.9	T243 V267 N287 L292 H293 K296 V298	T243-K290 HydrophobicContact CG2-CD 4.02Å; T243-K290 HydrophobicContact CG2-CG 4.37Å; V267-K290 PolarHBondContact O-NZ 2.91Å; N287-K290 HydrophobicContact CB-CD 4.18Å; N287-K290 HydrophobicContact CB-CG 4.34Å; N287-K290 PolarHBondContact O-N 3Å; K290-L292 WeakPolarHBondContact CE-O 3.33Å; K290-H293 WeakPolarHBondContact CE-O 3.33Å; K290-K296 WeakPolarHBondContact CE-O 3.16Å; K290-K296 PolarHBondContact NZ-O 2.84Å; K290-V298 VanDerWaalsContact NZ-CG2 3.29Å
291	V	97.9	Very high	98	Very high	92 Å²	92	38.7 Å²	38.7	56%	0.558	24%	0.236	S	C	*	.	S	Bend	trans	-84.3	-43.2	174.2	173.2	0	0	0	0	110.2	L334 N335	V291-L334 WeakPolarHBondContact CB-O 3.46Å; V291-L334 WeakPolarHBondContact CG2-O 3.39Å; V291-N335 PolarHBondContact N-OD1 2.94Å
292	L	97.5	Very high	98	Very high	26 Å²	26	33.3 Å²	33.3	14%	0.136	21%	0.208	C	C	.	.	S	Bend	trans	-88.9	118.8	178.1	-58.7	-179.8	0	0	0	109.6	K290 W325 M331 L334 N335	K290-L292 WeakPolarHBondContact CE-O 3.33Å; L292-W325 HydrophobicContact CB-CH2 4.29Å; L292-W325 HydrophobicContact CB-CZ2 4.28Å; L292-W325 HydrophobicContact CD1-CH2 4.31Å; L292-W325 HydrophobicContact CD1-CZ2 3.84Å; L292-W325 HydrophobicContact CD2-CZ2 4.43Å; L292-W325 HydrophobicContact CG-CZ2 4.41Å; L292-M331 HydrophobicContact CD1-CB 3.92Å; L292-M331 WeakPolarHBondContact CD1-O 3.41Å; L292-L334 HydrophobicContact CD1-CB 4.42Å; L292-L334 HydrophobicContact CD2-CD1 4.16Å; L292-L334 HydrophobicContact CG-CB 4.38Å; L292-N335 PolarHBondContact N-OD1 2.98Å
293	H	97.6	Very high	97.9	Very high	60 Å²	60	30.7 Å²	30.7	28%	0.278	19%	0.189	S	C	.	.	S	Bend	trans	49.7	66.5	-175.2	-55.4	-85.6	0	0	0	113.2	K290 G295 K296 V298 Y319 W325	K290-H293 WeakPolarHBondContact CE-O 3.33Å; H293-G295 PolarHBondContact O-N 2.98Å; H293-K296 HydrophobicContact CB-CB 4Å; H293-K296 HydrophobicContact CB-CD 4.33Å; H293-K296 HydrophobicContact CB-CG 4.38Å; H293-K296 PolarHBondContact O-N 2.86Å; H293-K296 VanDerWaalsContact O-N 3.1Å; H293-V298 HydrophobicContact CB-CG2 3.91Å; H293-Y319 AromaticContact CE1-CD2 3.7Å; H293-Y319 AromaticContact CE1-CE2 3.5Å; H293-Y319 VanDerWaalsContact CE1-CE2 3.5Å; H293-Y319 WeakPolarHBondContact CE1-CE2 3.49Å; H293-Y319 AromaticContact CE1-CZ 3.92Å; H293-Y319 AromaticContact ND1-CD2 3.93Å; H293-Y319 AromaticContact NE2-CE2 3.97Å; H293-Y319 AromaticContact NE2-CZ 3.94Å; H293-W325 AromaticContact CD2-CH2 3.53Å; H293-W325 AromaticContact NE2-CH2 3.56Å
294	P	98.1	Very high	97.8	Very high	87 Å²	87	28.6 Å²	28.6	57%	0.565	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.7	137.7	175.3	23.7	-33.9	0	0	0	110.9	K296	P294-K296 PolarHBondContact O-N 3.38Å
295	G	97.9	Very high	97.7	Very high	31 Å²	31	30 Å²	30	32%	0.32	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.2	-2.5	-178.2	0	0	0	0	0	115.2	N287 H293	N287-G295 PolarHBondContact O-N 3.33Å; H293-G295 PolarHBondContact O-N 2.98Å
296	K	98.7	Very high	97.6	Very high	69 Å²	69	35.1 Å²	35.1	30%	0.3	20%	0.2	S	C	.	.			trans	-111.9	144.8	178.9	-57.8	-165.6	175.5	-161.5	0	113	N287 K290 H293 P294 A316 M317	N287-K296 VanDerWaalsContact CB-O 3.25Å; N287-K296 WeakPolarHBondContact CB-O 3.06Å; N287-K296 PolarHBondContact OD1-O 3.07Å; K290-K296 WeakPolarHBondContact CE-O 3.16Å; K290-K296 PolarHBondContact NZ-O 2.84Å; H293-K296 HydrophobicContact CB-CB 4Å; H293-K296 HydrophobicContact CB-CD 4.33Å; H293-K296 HydrophobicContact CB-CG 4.38Å; H293-K296 PolarHBondContact O-N 2.86Å; H293-K296 VanDerWaalsContact O-N 3.1Å; P294-K296 PolarHBondContact O-N 3.38Å; K296-A316 WeakPolarHBondContact CE-O 3.46Å; K296-M317 CarbonylContact C-O 3.56Å; K296-M317 WeakPolarHBondContact CA-O 3.48Å; K296-M317 WeakPolarHBondContact CB-O 3.43Å
297	L	98.6	Very high	97.5	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	131.4	161.4	-172	149.9	0	0	0	108.5	V267 F272 V276 I280 N287 W311 M317 L318 Y319	V267-L297 HydrophobicContact CB-CD1 4.23Å; V267-L297 HydrophobicContact CB-CG 3.99Å; V267-L297 HydrophobicContact CG1-CD1 4.22Å; V267-L297 HydrophobicContact CG1-CD2 4.3Å; V267-L297 HydrophobicContact CG1-CG 3.9Å; F272-L297 HydrophobicContact CD1-CD2 3.96Å; F272-L297 HydrophobicContact CD2-CD1 4.47Å; F272-L297 HydrophobicContact CD2-CD2 4.48Å; F272-L297 HydrophobicContact CE1-CD2 3.81Å; F272-L297 HydrophobicContact CE2-CD1 4.4Å; F272-L297 HydrophobicContact CE2-CD2 4.28Å; F272-L297 HydrophobicContact CG-CD2 4.28Å; F272-L297 HydrophobicContact CZ-CD2 3.97Å; V276-L297 HydrophobicContact CB-CD1 4.4Å; V276-L297 HydrophobicContact CG2-CD1 3.82Å; I280-L297 HydrophobicContact CD1-CD1 4.32Å; N287-L297 PolarHBondContact ND2-N 3.28Å; L297-W311 HydrophobicContact CD1-CH2 4.46Å; L297-M317 PolarHBondContact N-O 3.35Å; L297-L318 HydrophobicContact CB-CD1 4.42Å; L297-L318 HydrophobicContact CD2-CD1 3.53Å; L297-Y319 PolarHBondContact O-N 3.34Å
298	V	98.7	Very high	97.5	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	126	-179.9	170.6	0	0	0	0	109.6	V267 T269 K290 H293 Y319 W325 I326	V267-V298 PolarHBondContact O-N 3.13Å; T269-V298 PolarHBondContact N-O 3Å; K290-V298 VanDerWaalsContact NZ-CG2 3.29Å; H293-V298 HydrophobicContact CB-CG2 3.91Å; V298-Y319 WeakPolarHBondContact CA-O 3.31Å; V298-Y319 HydrophobicContact CG1-CD1 4.24Å; V298-Y319 HydrophobicContact CG2-CD1 4.34Å; V298-Y319 HydrophobicContact CG2-CG 4.48Å; V298-W325 HydrophobicContact CG1-CH2 4.3Å; V298-W325 HydrophobicContact CG1-CZ3 3.76Å; V298-I326 HydrophobicContact CG1-CD1 4.03Å; V298-I326 HydrophobicContact CG1-CG1 4.14Å
299	S	98.2	Very high	97.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	155.8	176.8	-162	0	0	0	0	113.7	T269 E270 M271 F272 F301 Y319 M320 G321 I326	T269-S299 VanDerWaalsContact O-CA 3.28Å; T269-S299 WeakPolarHBondContact O-CA 3.4Å; E270-S299 PolarHBondContact O-OG 2.82Å; E270-S299 VanDerWaalsContact O-OG 3.13Å; M271-S299 WeakPolarHBondContact CA-OG 3.26Å; F272-S299 VanDerWaalsContact CD1-CB 3.46Å; F272-S299 WeakPolarHBondContact CD1-OG 3.4Å; S299-F301 PolarHBondContact OG-O 2.98Å; S299-Y319 PolarHBondContact N-O 3.13Å; S299-M320 CarbonylContact O-C 3.56Å; S299-M320 WeakPolarHBondContact O-CA 3.06Å; S299-G321 PolarHBondContact O-N 3.06Å; S299-I326 WeakPolarHBondContact O-CD1 3.32Å
300	A	97.8	Very high	97.5	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.194	C	C	.	.	S	Bend	trans	-90.4	-35.5	174.7	0	0	0	0	0	112	V169 D170 E270 V323 I326	V169-A300 PolarHBondContact N-O 3.1Å; D170-A300 PolarHBondContact N-O 2.88Å; E270-A300 WeakPolarHBondContact O-CA 3.21Å; E270-A300 VanDerWaalsContact O-CB 3.29Å; E270-A300 WeakPolarHBondContact O-CB 3.39Å; E270-A300 PolarHBondContact O-N 2.7Å; A300-V323 HydrophobicContact CB-CB 4.03Å; A300-V323 HydrophobicContact CB-CG2 3.98Å; A300-I326 HydrophobicContact CB-CB 4.42Å; A300-I326 HydrophobicContact CB-CD1 3.8Å; A300-I326 HydrophobicContact CB-CG2 4.32Å; A300-I326 VanDerWaalsContact N-CD1 3.3Å
301	F	97	Very high	97.5	Very high	9 Å²	9	40 Å²	40	4%	0.039	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	175.5	172.5	59.7	-86.2	0	0	0	112.1	V61 L133 T167 S168 D170 E270 M271 F272 S299 M320	V61-F301 HydrophobicContact CB-CD2 4.49Å; V61-F301 HydrophobicContact CG1-CD2 4.12Å; V61-F301 HydrophobicContact CG2-CD2 3.75Å; V61-F301 HydrophobicContact CG2-CE2 4.06Å; V61-F301 HydrophobicContact CG2-CG 4.27Å; L133-F301 HydrophobicContact CD2-CE1 4.17Å; T167-F301 CarbonylContact O-C 3.53Å; T167-F301 VanDerWaalsContact O-C 3.29Å; T167-F301 WeakPolarHBondContact O-CA 3.37Å; T167-F301 VanDerWaalsContact O-CB 3.31Å; T167-F301 WeakPolarHBondContact O-CB 3.1Å; S168-F301 WeakPolarHBondContact OG-CB 3.22Å; D170-F301 HydrophobicContact CB-CD1 4.07Å; E270-F301 HydrophobicContact CG-CD1 4.2Å; E270-F301 HydrophobicContact CG-CE1 3.31Å; E270-F301 HydrophobicContact CG-CZ 3.76Å; E270-F301 PolarHBondContact O-N 3.3Å; E270-F301 WeakPolarHBondContact OE1-CE1 3.38Å; E270-F301 WeakPolarHBondContact OE1-CZ 3.26Å; M271-F301 VanDerWaalsContact CA-O 3.31Å; M271-F301 WeakPolarHBondContact CA-O 3.3Å; M271-F301 HydrophobicContact CB-CD1 4.37Å; M271-F301 HydrophobicContact CB-CD2 3.58Å; M271-F301 HydrophobicContact CB-CE1 4.13Å; M271-F301 HydrophobicContact CB-CE2 3.31Å; M271-F301 HydrophobicContact CB-CG 4.13Å; M271-F301 HydrophobicContact CB-CZ 3.61Å; M271-F301 HydrophobicContact CE-CD2 4.31Å; M271-F301 HydrophobicContact CE-CE2 3.74Å; M271-F301 HydrophobicContact CG-CE2 4Å; M271-F301 HydrophobicContact CG-CZ 4.17Å; M271-F301 HydrophobicContact SD-CE2 3.7Å; M271-F301 HydrophobicContact SD-CZ 4.06Å; F272-F301 PolarHBondContact N-O 2.76Å; S299-F301 PolarHBondContact OG-O 2.98Å; F301-M320 VanDerWaalsContact CA-CE 3.47Å
302	A	96.7	Very high	97.5	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	145.1	178.8	0	0	0	0	0	111.3	T167 F272 L308 M312	T167-A302 PolarHBondContact O-N 3.49Å; F272-A302 HydrophobicContact CD1-CB 3.86Å; F272-A302 HydrophobicContact CE1-CB 3.57Å; F272-A302 HydrophobicContact CZ-CB 4.07Å; F272-A302 WeakPolarHBondContact O-CA 3.11Å; A302-L308 HydrophobicContact CB-CD2 4.24Å; A302-M312 HydrophobicContact CB-CE 3.58Å; A302-M312 HydrophobicContact CB-SD 3.64Å
303	L	95.3	Very high	97.6	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.01	19%	0.189	C	C	.	.			trans	-142.7	125.3	175.9	-175.6	60.1	0	0	0	109.1	V61 A62 I217 I248 M271 F272 S273	V61-L303 HydrophobicContact CG1-CB 3.71Å; V61-L303 HydrophobicContact CG1-CD1 3.96Å; V61-L303 HydrophobicContact CG1-CD2 4.07Å; V61-L303 HydrophobicContact CG1-CG 4.1Å; A62-L303 HydrophobicContact CB-CD1 3.95Å; I217-L303 HydrophobicContact CB-CG 4.44Å; I217-L303 HydrophobicContact CD1-CB 4.36Å; I217-L303 HydrophobicContact CD1-CD2 4.06Å; I217-L303 HydrophobicContact CD1-CG 3.81Å; I217-L303 HydrophobicContact CG1-CD2 4.49Å; I217-L303 HydrophobicContact CG1-CG 3.92Å; I217-L303 HydrophobicContact CG2-CD1 4.05Å; I217-L303 HydrophobicContact CG2-CD2 3.68Å; I217-L303 HydrophobicContact CG2-CG 3.74Å; I248-L303 HydrophobicContact CD1-CD2 4.27Å; M271-L303 HydrophobicContact CE-CB 4.23Å; F272-L303 PolarHBondContact O-N 3.33Å; F272-L303 VanDerWaalsContact O-N 3.13Å; S273-L303 WeakPolarHBondContact CA-O 3.13Å; S273-L303 WeakPolarHBondContact CB-O 3.26Å; S273-L303 PolarHBondContact OG-O 2.73Å
304	G	94.8	Very high	97.6	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.202	C	C	.	.			trans	-173.8	-153.6	-172	0	0	0	0	0	112.4	T216 I217 D274 Y309	T216-G304 CarbonylContact C-O 3.58Å; T216-G304 WeakPolarHBondContact CA-O 3.11Å; T216-G304 VanDerWaalsContact CB-O 3.23Å; T216-G304 WeakPolarHBondContact CB-O 3.17Å; I217-G304 PolarHBondContact N-O 2.97Å; I217-G304 CarbonylContact O-C 3.57Å; D274-G304 WeakPolarHBondContact OD2-CA 3.34Å; G304-Y309 PolarHBondContact N-OH 2.76Å; G304-Y309 PolarHBondContact O-OH 2.75Å
305	T	96.3	Very high	97.6	Very high	33 Å²	33	37.6 Å²	37.6	20%	0.202	18%	0.183	C	C	.	.			trans	-90.5	175.4	176.8	79.8	0	0	0	0	112	I217 D274 R307 L308 Y309	I217-T305 WeakPolarHBondContact O-CG2 3.18Å; D274-T305 WeakPolarHBondContact OD1-CB 3.44Å; D274-T305 WeakPolarHBondContact OD1-CG2 3.46Å; D274-T305 PolarHBondContact OD1-N 3.41Å; D274-T305 PolarHBondContact OD1-OG1 3.29Å; D274-T305 PolarHBondContact OD2-N 3.46Å; T305-R307 PolarHBondContact O-N 2.71Å; T305-R307 WeakPolarHBondContact OG1-CB 3.42Å; T305-R307 PolarHBondContact OG1-N 3.43Å; T305-R307 VanDerWaalsContact OG1-N 3.12Å; T305-L308 WeakPolarHBondContact O-CB 3.36Å; T305-L308 PolarHBondContact O-N 3.14Å; T305-Y309 PolarHBondContact O-N 2.96Å
306	E	96.9	Very high	97.6	Very high	110 Å²	110	39.2 Å²	39.2	51%	0.514	19%	0.193	S	C	.	.	H	α-helix	trans	-58.9	-26.9	170.7	-64.2	-176.9	-171.7	0	0	113.5	T216 L308 Y309 K310	T216-E306 HydrophobicContact CG2-CG 4.27Å; E306-L308 VanDerWaalsContact C-N 3.27Å; E306-L308 PolarHBondContact O-N 3.14Å; E306-Y309 PolarHBondContact O-N 3.03Å; E306-K310 WeakPolarHBondContact O-CB 3.46Å; E306-K310 WeakPolarHBondContact O-CG 3.48Å; E306-K310 PolarHBondContact O-N 3.48Å; E306-K310 IonicContact OE2-NZ 3.61Å
307	R	96.7	Very high	97.6	Very high	109 Å²	109	39.2 Å²	39.2	41%	0.411	20%	0.195	S	C	.	.	H	α-helix	trans	-58.4	-45.3	173.9	177.9	-173.3	171.3	-157.5	-1	109.6	L277 D278 D281 T305 W311	L277-R307 HydrophobicContact CD1-CG 4.26Å; D278-R307 IonicContact OD1-CZ 3.91Å; D278-R307 VanDerWaalsContact OD1-CZ 3.27Å; D278-R307 IonicContact OD1-NH1 3.02Å; D278-R307 PolarHBondContact OD1-NH1 3.31Å; D278-R307 IonicContact OD1-NH2 2.84Å; D278-R307 PolarHBondContact OD1-NH2 3.42Å; D281-R307 IonicContact OD2-NH2 2.74Å; D281-R307 PolarHBondContact OD2-NH2 2.89Å; T305-R307 PolarHBondContact O-N 2.71Å; T305-R307 WeakPolarHBondContact OG1-CB 3.42Å; T305-R307 PolarHBondContact OG1-N 3.43Å; T305-R307 VanDerWaalsContact OG1-N 3.12Å; R307-W311 WeakPolarHBondContact O-CB 3.17Å; R307-W311 PolarHBondContact O-N 2.89Å
308	L	97.4	Very high	97.6	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-61.3	-50	177.5	176.2	62.3	0	0	0	111.4	F272 L277 A302 T305 E306 K310 W311 M312	F272-L308 HydrophobicContact CD2-CD1 4Å; F272-L308 HydrophobicContact CE2-CD1 3.35Å; F272-L308 HydrophobicContact CZ-CD1 4Å; L277-L308 HydrophobicContact CD1-CD1 4.17Å; L277-L308 HydrophobicContact CD2-CD1 4.3Å; L277-L308 HydrophobicContact CG-CD1 4.35Å; A302-L308 HydrophobicContact CB-CD2 4.24Å; T305-L308 WeakPolarHBondContact O-CB 3.36Å; T305-L308 PolarHBondContact O-N 3.14Å; E306-L308 VanDerWaalsContact C-N 3.27Å; E306-L308 PolarHBondContact O-N 3.14Å; L308-K310 VanDerWaalsContact C-N 3.33Å; L308-K310 PolarHBondContact O-N 3.06Å; L308-W311 WeakPolarHBondContact O-CB 3.29Å; L308-W311 PolarHBondContact O-N 3.44Å; L308-W311 VanDerWaalsContact O-N 3.08Å; L308-M312 HydrophobicContact CD1-CG 4.1Å; L308-M312 HydrophobicContact CD1-SD 4.12Å; L308-M312 HydrophobicContact CD2-SD 4.47Å; L308-M312 HydrophobicContact CG-CG 4.36Å; L308-M312 HydrophobicContact CG-SD 3.9Å; L308-M312 VanDerWaalsContact O-CG 3.26Å; L308-M312 WeakPolarHBondContact O-CG 3.36Å; L308-M312 PolarHBondContact O-N 2.94Å
309	Y	98.5	Very high	97.6	Very high	13 Å²	13	40.8 Å²	40.8	5%	0.051	20%	0.201	C	C	.	.	H	α-helix	trans	-64.3	-38.3	-177.1	-55	-28	0	0	0	112.5	A62 T167 P191 L214 Y215 T216 G304 T305 E306 W311 M312 N313	A62-Y309 HydrophobicContact CB-CE1 4.45Å; A62-Y309 HydrophobicContact CB-CE2 4.46Å; A62-Y309 WeakPolarHBondContact CB-OH 3.44Å; T167-Y309 HydrophobicContact CG2-CD1 3.5Å; T167-Y309 VanDerWaalsContact CG2-CD1 3.5Å; T167-Y309 HydrophobicContact CG2-CE1 3.63Å; T167-Y309 HydrophobicContact CG2-CG 4.29Å; P191-Y309 WeakPolarHBondContact CB-O 3.37Å; L214-Y309 HydrophobicContact CB-CD2 4.17Å; L214-Y309 HydrophobicContact CB-CE2 3.9Å; L214-Y309 HydrophobicContact CD1-CD2 4Å; L214-Y309 HydrophobicContact CD1-CE2 4.27Å; L214-Y309 HydrophobicContact CD1-CG 4.41Å; Y215-Y309 PolarHBondContact O-OH 3.09Å; T216-Y309 HydrophobicContact CG2-CD2 4.47Å; T216-Y309 HydrophobicContact CG2-CE2 3.8Å; G304-Y309 PolarHBondContact N-OH 2.76Å; G304-Y309 PolarHBondContact O-OH 2.75Å; T305-Y309 PolarHBondContact O-N 2.96Å; E306-Y309 PolarHBondContact O-N 3.03Å; Y309-W311 PolarHBondContact O-N 2.72Å; Y309-M312 HydrophobicContact CD1-SD 4.1Å; Y309-M312 PolarHBondContact O-N 3.17Å; Y309-N313 PolarHBondContact O-N 2.58Å; Y309-N313 VanDerWaalsContact O-N 3.17Å
310	K	98.5	Very high	97.6	Very high	152 Å²	152	40.8 Å²	40.8	66%	0.661	20%	0.201	S	C	*	.	H	α-helix	trans	-62.4	-41.3	172.1	-73.2	173.1	-176.9	166.7	0	112.1	E306 L308 M312 N313	E306-K310 WeakPolarHBondContact O-CB 3.46Å; E306-K310 WeakPolarHBondContact O-CG 3.48Å; E306-K310 PolarHBondContact O-N 3.48Å; E306-K310 IonicContact OE2-NZ 3.61Å; L308-K310 VanDerWaalsContact C-N 3.33Å; L308-K310 PolarHBondContact O-N 3.06Å; K310-M312 VanDerWaalsContact C-N 3.34Å; K310-N313 PolarHBondContact O-N 3.12Å
311	W	98.4	Very high	97.6	Very high	46 Å²	46	40.8 Å²	40.8	17%	0.174	20%	0.201	C	C	.	.	H	α-helix	trans	-66.4	-34.4	176.7	178.9	93	0	0	0	112.9	F272 L277 I280 L297 R307 L308 Y309 N315 L318	F272-W311 HydrophobicContact CE2-CZ3 4.14Å; F272-W311 HydrophobicContact CZ-CZ3 4.13Å; L277-W311 HydrophobicContact CD1-CB 3.9Å; L277-W311 HydrophobicContact CD1-CD2 4.49Å; L277-W311 HydrophobicContact CD1-CG 4.01Å; L277-W311 HydrophobicContact CD2-CB 4.33Å; L277-W311 HydrophobicContact CD2-CD2 3.3Å; L277-W311 HydrophobicContact CD2-CE3 3.59Å; L277-W311 HydrophobicContact CD2-CG 3.62Å; L277-W311 HydrophobicContact CD2-CH2 4.35Å; L277-W311 HydrophobicContact CD2-CZ2 4.11Å; L277-W311 HydrophobicContact CD2-CZ3 4.11Å; L277-W311 HydrophobicContact CG-CG 4.47Å; I280-W311 HydrophobicContact CD1-CH2 4.02Å; I280-W311 HydrophobicContact CD1-CZ2 3.54Å; L297-W311 HydrophobicContact CD1-CH2 4.46Å; R307-W311 WeakPolarHBondContact O-CB 3.17Å; R307-W311 PolarHBondContact O-N 2.89Å; L308-W311 WeakPolarHBondContact O-CB 3.29Å; L308-W311 PolarHBondContact O-N 3.44Å; L308-W311 VanDerWaalsContact O-N 3.08Å; Y309-W311 PolarHBondContact O-N 2.72Å; W311-N315 WeakPolarHBondContact CZ2-ND2 3.29Å; W311-N315 WeakPolarHBondContact O-CB 3.32Å; W311-N315 PolarHBondContact O-ND2 3.08Å; W311-L318 HydrophobicContact CH2-CB 4.43Å; W311-L318 HydrophobicContact CZ3-CB 4.3Å; W311-L318 HydrophobicContact CZ3-CD1 4.33Å; W311-L318 HydrophobicContact CZ3-CD2 4.37Å
312	M	98.7	Very high	97.6	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-71.4	-32.1	179.4	-68.5	174.6	71.1	0	0	112.9	T167 P191 T193 F272 A302 L308 Y309 K310 D314 N315 L318 M320	T167-M312 HydrophobicContact CG2-CE 3.94Å; T167-M312 HydrophobicContact CG2-SD 3.97Å; P191-M312 HydrophobicContact CB-CB 4.13Å; P191-M312 HydrophobicContact CG-CB 4.29Å; T193-M312 HydrophobicContact CG2-CB 4.29Å; T193-M312 HydrophobicContact CG2-CE 4Å; F272-M312 HydrophobicContact CE1-CE 4.36Å; F272-M312 HydrophobicContact CZ-CE 4.27Å; F272-M312 HydrophobicContact CZ-CG 4.09Å; F272-M312 HydrophobicContact CZ-SD 4.11Å; A302-M312 HydrophobicContact CB-CE 3.58Å; A302-M312 HydrophobicContact CB-SD 3.64Å; L308-M312 HydrophobicContact CD1-CG 4.1Å; L308-M312 HydrophobicContact CD1-SD 4.12Å; L308-M312 HydrophobicContact CD2-SD 4.47Å; L308-M312 HydrophobicContact CG-CG 4.36Å; L308-M312 HydrophobicContact CG-SD 3.9Å; L308-M312 VanDerWaalsContact O-CG 3.26Å; L308-M312 WeakPolarHBondContact O-CG 3.36Å; L308-M312 PolarHBondContact O-N 2.94Å; Y309-M312 HydrophobicContact CD1-SD 4.1Å; Y309-M312 PolarHBondContact O-N 3.17Å; K310-M312 VanDerWaalsContact C-N 3.34Å; M312-D314 PolarHBondContact O-N 3.4Å; M312-N315 PolarHBondContact O-N 3.4Å; M312-L318 HydrophobicContact CB-CD2 3.77Å; M312-L318 HydrophobicContact CE-CD2 3.81Å; M312-L318 HydrophobicContact CG-CD2 3.75Å; M312-M320 HydrophobicContact CE-CE 4.07Å; M312-M320 HydrophobicContact CE-SD 3.97Å
313	N	98.6	Very high	97.6	Very high	83 Å²	83	40.7 Å²	40.7	44%	0.444	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	121.3	-174.4	-175.3	70.5	0	0	0	111.9	P191 R192 Y309 K310 N315	P191-N313 WeakPolarHBondContact CA-OD1 3.02Å; P191-N313 HydrophobicContact CB-CB 3.74Å; R192-N313 PolarHBondContact N-OD1 2.78Å; Y309-N313 PolarHBondContact O-N 2.58Å; Y309-N313 VanDerWaalsContact O-N 3.17Å; K310-N313 PolarHBondContact O-N 3.12Å; N313-N315 PolarHBondContact O-N 3.4Å
314	D	98	Very high	97.7	Very high	103 Å²	103	44 Å²	44	55%	0.551	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	56	30.1	176.9	-153.3	37.5	0	0	0	114.1	R192 F194 M312	R192-D314 PolarHBondContact O-N 2.85Å; F194-D314 VanDerWaalsContact CZ-OD1 3.22Å; F194-D314 WeakPolarHBondContact CZ-OD1 3.2Å; M312-D314 PolarHBondContact O-N 3.4Å
315	N	98.3	Very high	97.8	Very high	29 Å²	29	47 Å²	47	16%	0.155	23%	0.228	C	C	.	.			trans	-99	109.4	-175.1	-171.9	-15.2	0	0	0	112.4	F194 W311 M312 N313 M317 L318	F194-N315 WeakPolarHBondContact CD2-O 3.39Å; W311-N315 WeakPolarHBondContact CZ2-ND2 3.29Å; W311-N315 WeakPolarHBondContact O-CB 3.32Å; W311-N315 PolarHBondContact O-ND2 3.08Å; M312-N315 PolarHBondContact O-N 3.4Å; N313-N315 PolarHBondContact O-N 3.4Å; N315-M317 PolarHBondContact O-N 2.95Å; N315-M317 VanDerWaalsContact O-N 3.12Å; N315-M317 VanDerWaalsContact OD1-CB 3.29Å; N315-M317 WeakPolarHBondContact OD1-CB 3.3Å; N315-M317 PolarHBondContact OD1-N 3.28Å; N315-L318 PolarHBondContact O-N 2.83Å
316	A	97.6	Very high	97.9	Very high	66 Å²	66	45.4 Å²	45.4	55%	0.545	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-18.2	-178.8	0	0	0	0	0	114.6	F194 K296 L318	F194-A316 HydrophobicContact CE2-CB 4.42Å; K296-A316 WeakPolarHBondContact CE-O 3.46Å; A316-L318 PolarHBondContact O-N 2.83Å
317	M	98	Very high	97.9	Very high	68 Å²	68	40.1 Å²	40.1	34%	0.335	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-19.1	172.5	-66.5	179.8	61.5	0	0	112.3	I280 K296 L297 N315	I280-M317 HydrophobicContact CG2-CE 4.04Å; K296-M317 CarbonylContact C-O 3.56Å; K296-M317 WeakPolarHBondContact CA-O 3.48Å; K296-M317 WeakPolarHBondContact CB-O 3.43Å; L297-M317 PolarHBondContact N-O 3.35Å; N315-M317 PolarHBondContact O-N 2.95Å; N315-M317 VanDerWaalsContact O-N 3.12Å; N315-M317 VanDerWaalsContact OD1-CB 3.29Å; N315-M317 WeakPolarHBondContact OD1-CB 3.3Å; N315-M317 PolarHBondContact OD1-N 3.28Å
318	L	98.6	Very high	97.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	135	-177.7	-179.2	64.4	0	0	0	111.4	T193 F272 L297 W311 M312 N315 A316 M320	T193-L318 HydrophobicContact CG2-CD2 3.89Å; F272-L318 HydrophobicContact CE1-CD1 4Å; F272-L318 HydrophobicContact CZ-CD1 3.92Å; L297-L318 HydrophobicContact CB-CD1 4.42Å; L297-L318 HydrophobicContact CD2-CD1 3.53Å; W311-L318 HydrophobicContact CH2-CB 4.43Å; W311-L318 HydrophobicContact CZ3-CB 4.3Å; W311-L318 HydrophobicContact CZ3-CD1 4.33Å; W311-L318 HydrophobicContact CZ3-CD2 4.37Å; M312-L318 HydrophobicContact CB-CD2 3.77Å; M312-L318 HydrophobicContact CE-CD2 3.81Å; M312-L318 HydrophobicContact CG-CD2 3.75Å; N315-L318 PolarHBondContact O-N 2.83Å; A316-L318 PolarHBondContact O-N 2.83Å; L318-M320 HydrophobicContact CD1-CG 4.41Å; L318-M320 HydrophobicContact CD1-SD 3.84Å; L318-M320 HydrophobicContact CD2-CG 3.93Å; L318-M320 HydrophobicContact CD2-SD 3.98Å; L318-M320 HydrophobicContact CG-CG 3.99Å; L318-M320 HydrophobicContact CG-SD 4.05Å
319	Y	98.6	Very high	97.9	Very high	33 Å²	33	39.1 Å²	39.1	13%	0.129	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	116.1	165.9	-176.9	-82.6	0	0	0	109	G195 D196 H293 L297 V298 S299 W325	G195-Y319 VanDerWaalsContact CA-CE2 3.47Å; D196-Y319 VanDerWaalsContact CG-OH 3.22Å; D196-Y319 PolarHBondContact OD1-OH 2.78Å; D196-Y319 VanDerWaalsContact OD1-OH 3.08Å; D196-Y319 PolarHBondContact OD2-OH 2.95Å; H293-Y319 AromaticContact CE1-CD2 3.7Å; H293-Y319 AromaticContact CE1-CE2 3.5Å; H293-Y319 VanDerWaalsContact CE1-CE2 3.5Å; H293-Y319 WeakPolarHBondContact CE1-CE2 3.49Å; H293-Y319 AromaticContact CE1-CZ 3.92Å; H293-Y319 AromaticContact ND1-CD2 3.93Å; H293-Y319 AromaticContact NE2-CE2 3.97Å; H293-Y319 AromaticContact NE2-CZ 3.94Å; L297-Y319 PolarHBondContact O-N 3.34Å; V298-Y319 WeakPolarHBondContact CA-O 3.31Å; V298-Y319 HydrophobicContact CG1-CD1 4.24Å; V298-Y319 HydrophobicContact CG2-CD1 4.34Å; V298-Y319 HydrophobicContact CG2-CG 4.48Å; S299-Y319 PolarHBondContact N-O 3.13Å; Y319-W325 HydrophobicContact CE1-CZ3 4.12Å
320	M	98.6	Very high	97.9	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	119.8	172.6	-62.1	-62.4	-70.1	0	0	109.5	V169 T193 F194 G195 D196 F272 S299 F301 M312 L318	V169-M320 HydrophobicContact CG2-CB 3.64Å; T193-M320 HydrophobicContact CG2-CG 3.83Å; F194-M320 PolarHBondContact O-N 3.33Å; G195-M320 CarbonylContact C-O 3.45Å; G195-M320 WeakPolarHBondContact CA-O 3.47Å; D196-M320 PolarHBondContact N-O 2.76Å; F272-M320 HydrophobicContact CE1-SD 4.28Å; S299-M320 CarbonylContact O-C 3.56Å; S299-M320 WeakPolarHBondContact O-CA 3.06Å; F301-M320 VanDerWaalsContact CA-CE 3.47Å; M312-M320 HydrophobicContact CE-CE 4.07Å; M312-M320 HydrophobicContact CE-SD 3.97Å; L318-M320 HydrophobicContact CD1-CG 4.41Å; L318-M320 HydrophobicContact CD1-SD 3.84Å; L318-M320 HydrophobicContact CD2-CG 3.93Å; L318-M320 HydrophobicContact CD2-SD 3.98Å; L318-M320 HydrophobicContact CG-CG 3.99Å; L318-M320 HydrophobicContact CG-SD 4.05Å
321	G	97.7	Very high	97.9	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.19	C	C	.	.			trans	-125.7	169.2	-169.1	0	0	0	0	0	115.2	D196 S299	D196-G321 VanDerWaalsContact OD2-CA 3.27Å; D196-G321 WeakPolarHBondContact OD2-CA 3.43Å; S299-G321 PolarHBondContact O-N 3.06Å
322	D	97.4	Very high	97.9	Very high	8 Å²	8	33.1 Å²	33.1	4%	0.043	18%	0.182	C	C	.	.			trans	-64.1	134.2	172	-161.8	-79.1	0	0	0	111.6	R141 D196 E324 W325 I326	R141-D322 IonicContact CZ-OD1 2.66Å; R141-D322 IonicContact CZ-OD2 3.46Å; R141-D322 IonicContact NH1-OD1 3.44Å; R141-D322 PolarHBondContact NH1-OD1 3.07Å; R141-D322 IonicContact NH1-OD2 2.67Å; R141-D322 PolarHBondContact NH1-OD2 3.12Å; R141-D322 IonicContact NH2-OD1 2.71Å; R141-D322 IonicContact NH2-OD2 3.77Å; R141-D322 PolarHBondContact NH2-OD2 3.44Å; D196-D322 PolarHBondContact OD2-N 2.85Å; D196-D322 VanDerWaalsContact OD2-N 3.12Å; D322-E324 VanDerWaalsContact C-N 3.25Å; D322-E324 PolarHBondContact O-N 3.46Å; D322-E324 VanDerWaalsContact OD1-CB 3.27Å; D322-E324 WeakPolarHBondContact OD1-CB 3.38Å; D322-E324 PolarHBondContact OD1-N 3.22Å; D322-W325 PolarHBondContact O-N 2.77Å; D322-W325 VanDerWaalsContact O-N 3.14Å; D322-I326 WeakPolarHBondContact O-CG1 2.92Å; D322-I326 PolarHBondContact O-N 3.49Å
323	V	96.6	Very high	97.9	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-69.2	-22.4	-176.4	75.5	0	0	0	0	113.4	L133 P137 D170 C171 A300 W325 N327	L133-V323 HydrophobicContact CD2-CG2 3.6Å; L133-V323 HydrophobicContact CG-CG1 4.38Å; L133-V323 HydrophobicContact CG-CG2 3.58Å; P137-V323 HydrophobicContact CG-CG1 3.44Å; P137-V323 VanDerWaalsContact CG-CG1 3.44Å; D170-V323 PolarHBondContact O-N 3.41Å; D170-V323 VanDerWaalsContact O-N 3.09Å; C171-V323 HydrophobicContact CB-CG1 4.24Å; A300-V323 HydrophobicContact CB-CB 4.03Å; A300-V323 HydrophobicContact CB-CG2 3.98Å; V323-W325 VanDerWaalsContact C-N 3.26Å; V323-W325 PolarHBondContact O-N 2.99Å; V323-N327 HydrophobicContact CG2-CB 4.16Å; V323-N327 WeakPolarHBondContact CG2-OD1 3.38Å; V323-N327 VanDerWaalsContact O-CB 3.26Å; V323-N327 WeakPolarHBondContact O-CB 3.32Å; V323-N327 PolarHBondContact O-N 3.47Å
324	E	96.8	Very high	97.9	Very high	71 Å²	71	35.7 Å²	35.7	33%	0.332	19%	0.192	S	C	.	.	H	α-helix	trans	-61.5	-38	173.3	-176.2	173	171.5	0	0	110.7	P137 R141 D322 D328	P137-E324 HydrophobicContact CB-CB 4.14Å; P137-E324 HydrophobicContact CG-CB 3.89Å; R141-E324 IonicContact CZ-OE2 3Å; R141-E324 IonicContact NH1-OE2 2.83Å; R141-E324 PolarHBondContact NH1-OE2 3.28Å; D322-E324 VanDerWaalsContact C-N 3.25Å; D322-E324 PolarHBondContact O-N 3.46Å; D322-E324 VanDerWaalsContact OD1-CB 3.27Å; D322-E324 WeakPolarHBondContact OD1-CB 3.38Å; D322-E324 PolarHBondContact OD1-N 3.22Å; E324-D328 WeakPolarHBondContact O-CB 3.47Å; E324-D328 PolarHBondContact O-N 3.5Å
325	W	97.7	Very high	97.9	Very high	62 Å²	62	31 Å²	31	24%	0.235	17%	0.167	C	C	.	.	H	α-helix	trans	-85	-43.1	179.3	176.4	81.6	0	0	0	112.3	H268 L292 H293 V298 Y319 D322 V323 N327 D328 M331	H268-W325 AromaticContact CE1-CH2 3.69Å; H268-W325 AromaticContact CE1-CZ3 3.79Å; L292-W325 HydrophobicContact CB-CH2 4.29Å; L292-W325 HydrophobicContact CB-CZ2 4.28Å; L292-W325 HydrophobicContact CD1-CH2 4.31Å; L292-W325 HydrophobicContact CD1-CZ2 3.84Å; L292-W325 HydrophobicContact CD2-CZ2 4.43Å; L292-W325 HydrophobicContact CG-CZ2 4.41Å; H293-W325 AromaticContact CD2-CH2 3.53Å; H293-W325 AromaticContact NE2-CH2 3.56Å; V298-W325 HydrophobicContact CG1-CH2 4.3Å; V298-W325 HydrophobicContact CG1-CZ3 3.76Å; Y319-W325 HydrophobicContact CE1-CZ3 4.12Å; D322-W325 PolarHBondContact O-N 2.77Å; D322-W325 VanDerWaalsContact O-N 3.14Å; V323-W325 VanDerWaalsContact C-N 3.26Å; V323-W325 PolarHBondContact O-N 2.99Å; W325-N327 VanDerWaalsContact C-N 3.3Å; W325-N327 PolarHBondContact O-N 3.12Å; W325-D328 PolarHBondContact O-N 3.31Å; W325-M331 HydrophobicContact CG-CG 4.41Å; W325-M331 PolarHBondContact NE1-SD 2.85Å
326	I	98.1	Very high	97.9	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-62.5	-42.3	-178.3	-70.4	-173.7	0	0	0	111	H268 T269 V298 S299 A300 D322 I332 F366	H268-I326 PolarHBondContact NE2-O 2.95Å; T269-I326 WeakPolarHBondContact O-CG2 3.28Å; V298-I326 HydrophobicContact CG1-CD1 4.03Å; V298-I326 HydrophobicContact CG1-CG1 4.14Å; S299-I326 WeakPolarHBondContact O-CD1 3.32Å; A300-I326 HydrophobicContact CB-CB 4.42Å; A300-I326 HydrophobicContact CB-CD1 3.8Å; A300-I326 HydrophobicContact CB-CG2 4.32Å; A300-I326 VanDerWaalsContact N-CD1 3.3Å; D322-I326 WeakPolarHBondContact O-CG1 2.92Å; D322-I326 PolarHBondContact O-N 3.49Å; I326-I332 WeakPolarHBondContact O-CG1 3.37Å; I326-F366 HydrophobicContact CG2-CZ 4.34Å
327	N	97.1	Very high	97.9	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	3.5	-177.7	-72.7	39.8	0	0	0	113.2	V323 W325 P329 G362 D365	V323-N327 HydrophobicContact CG2-CB 4.16Å; V323-N327 WeakPolarHBondContact CG2-OD1 3.38Å; V323-N327 VanDerWaalsContact O-CB 3.26Å; V323-N327 WeakPolarHBondContact O-CB 3.32Å; V323-N327 PolarHBondContact O-N 3.47Å; W325-N327 VanDerWaalsContact C-N 3.3Å; W325-N327 PolarHBondContact O-N 3.12Å; N327-P329 WeakPolarHBondContact O-CD 3.48Å; N327-G362 VanDerWaalsContact ND2-CA 3.28Å; N327-G362 WeakPolarHBondContact ND2-CA 3.44Å; N327-D365 HydrophobicContact CB-CB 3.94Å; N327-D365 WeakPolarHBondContact CB-OD2 3.24Å; N327-D365 PolarHBondContact ND2-OD2 3.03Å; N327-D365 VanDerWaalsContact O-CB 3.25Å; N327-D365 WeakPolarHBondContact O-CB 3.12Å
328	D	97.7	Very high	98	Very high	60 Å²	60	26.6 Å²	26.6	32%	0.321	14%	0.135	S	C	.	.			trans	-67.3	118	176.1	178.7	4.7	0	0	0	110.1	E324 W325 G330 M331 I332	E324-D328 WeakPolarHBondContact O-CB 3.47Å; E324-D328 PolarHBondContact O-N 3.5Å; W325-D328 PolarHBondContact O-N 3.31Å; D328-G330 PolarHBondContact O-N 3.44Å; D328-G330 VanDerWaalsContact O-N 3.07Å; D328-G330 WeakPolarHBondContact OD1-CA 3.45Å; D328-G330 PolarHBondContact OD1-N 3.23Å; D328-M331 HydrophobicContact CB-CB 4.21Å; D328-M331 HydrophobicContact CB-CG 3.93Å; D328-M331 WeakPolarHBondContact O-CA 3.46Å; D328-M331 PolarHBondContact O-N 3.27Å; D328-I332 WeakPolarHBondContact O-CG1 3.46Å; D328-I332 PolarHBondContact O-N 3.31Å
329	P	97.3	Very high	98	Very high	28 Å²	28	26.6 Å²	26.6	18%	0.182	14%	0.136	C	C	.	.	H	α-helix	trans	-55.7	-27.4	174.4	-24.9	36	0	0	0	113.3	N327 M331 K333 R368 I372	N327-P329 WeakPolarHBondContact O-CD 3.48Å; P329-M331 VanDerWaalsContact C-N 3.32Å; P329-K333 WeakPolarHBondContact O-CB 3.41Å; P329-K333 VanDerWaalsContact O-CG 3.28Å; P329-K333 WeakPolarHBondContact O-CG 3.32Å; P329-K333 PolarHBondContact O-N 2.68Å; P329-R368 HydrophobicContact CB-CB 4.46Å; P329-R368 HydrophobicContact CB-CG 4.17Å; P329-R368 HydrophobicContact CG-CB 4.39Å; P329-R368 HydrophobicContact CG-CG 4.36Å; P329-I372 HydrophobicContact CB-CD1 4.34Å
330	G	97.7	Very high	97.9	Very high	26 Å²	26	25 Å²	25	27%	0.268	13%	0.13	S	C	.	.	H	α-helix	trans	-65.1	-31.1	173.8	0	0	0	0	0	113.8	D328 K333 L334	D328-G330 PolarHBondContact O-N 3.44Å; D328-G330 VanDerWaalsContact O-N 3.07Å; D328-G330 WeakPolarHBondContact OD1-CA 3.45Å; D328-G330 PolarHBondContact OD1-N 3.23Å; G330-K333 WeakPolarHBondContact O-CG 3.33Å; G330-L334 WeakPolarHBondContact O-CG 3.31Å
331	M	98.2	Very high	97.8	Very high	57 Å²	57	25.1 Å²	25.1	28%	0.281	13%	0.13	S	C	.	.	H	α-helix	trans	-89	-46.8	174.8	-61.8	-60.8	163.7	0	0	111.1	L292 W325 D328 P329 K333 L334	L292-M331 HydrophobicContact CD1-CB 3.92Å; L292-M331 WeakPolarHBondContact CD1-O 3.41Å; W325-M331 HydrophobicContact CG-CG 4.41Å; W325-M331 PolarHBondContact NE1-SD 2.85Å; D328-M331 HydrophobicContact CB-CB 4.21Å; D328-M331 HydrophobicContact CB-CG 3.93Å; D328-M331 WeakPolarHBondContact O-CA 3.46Å; D328-M331 PolarHBondContact O-N 3.27Å; P329-M331 VanDerWaalsContact C-N 3.32Å; M331-K333 VanDerWaalsContact C-N 3.28Å; M331-K333 PolarHBondContact O-N 3.21Å; M331-L334 WeakPolarHBondContact O-CB 3.27Å; M331-L334 PolarHBondContact O-N 3.38Å; M331-L334 HydrophobicContact SD-CD1 4.26Å
332	I	98.6	Very high	97.6	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	13%	0.134	C	C	.	.	H	α-helix	trans	-51.3	-49.2	-179.8	-67.3	163.9	0	0	0	110.6	I326 D328 L334 N335 V338 F366	I326-I332 WeakPolarHBondContact O-CG1 3.37Å; D328-I332 WeakPolarHBondContact O-CG1 3.46Å; D328-I332 PolarHBondContact O-N 3.31Å; I332-L334 PolarHBondContact O-N 3.01Å; I332-N335 PolarHBondContact O-N 2.69Å; I332-N335 VanDerWaalsContact O-N 3.12Å; I332-V338 HydrophobicContact CG2-CG1 3.75Å; I332-V338 HydrophobicContact CG2-CG2 4.25Å; I332-V338 VanDerWaalsContact O-CG2 3.28Å; I332-V338 WeakPolarHBondContact O-CG2 3.39Å; I332-F366 HydrophobicContact CD1-CD1 3.64Å; I332-F366 HydrophobicContact CD1-CD2 4.13Å; I332-F366 HydrophobicContact CD1-CE1 3.66Å; I332-F366 HydrophobicContact CD1-CE2 4.14Å; I332-F366 HydrophobicContact CD1-CG 3.89Å; I332-F366 HydrophobicContact CD1-CZ 3.92Å; I332-F366 HydrophobicContact CG1-CD1 4.05Å; I332-F366 HydrophobicContact CG1-CE1 3.72Å; I332-F366 HydrophobicContact CG1-CZ 4.15Å; I332-F366 HydrophobicContact CG2-CD1 3.93Å; I332-F366 HydrophobicContact CG2-CE1 4.15Å
333	K	98.4	Very high	97.3	Very high	71 Å²	71	27.7 Å²	27.7	31%	0.309	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-13.1	-176.4	75.4	176.8	-171	176.6	0	115.1	P329 G330 M331 N335 I372 T374	P329-K333 WeakPolarHBondContact O-CB 3.41Å; P329-K333 VanDerWaalsContact O-CG 3.28Å; P329-K333 WeakPolarHBondContact O-CG 3.32Å; P329-K333 PolarHBondContact O-N 2.68Å; G330-K333 WeakPolarHBondContact O-CG 3.33Å; M331-K333 VanDerWaalsContact C-N 3.28Å; M331-K333 PolarHBondContact O-N 3.21Å; K333-N335 VanDerWaalsContact C-N 3.34Å; K333-I372 HydrophobicContact CB-CG1 3.97Å; K333-I372 HydrophobicContact CD-CD1 4.03Å; K333-I372 HydrophobicContact CD-CG1 3.97Å; K333-T374 WeakPolarHBondContact O-CB 3.3Å; K333-T374 PolarHBondContact O-N 3.13Å; K333-T374 PolarHBondContact O-OG1 3.13Å
334	L	98.5	Very high	97	Very high	67 Å²	67	28.1 Å²	28.1	35%	0.351	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-24	179.7	-59.8	177.9	0	0	0	111.6	V291 L292 G330 M331 I332	V291-L334 WeakPolarHBondContact CB-O 3.46Å; V291-L334 WeakPolarHBondContact CG2-O 3.39Å; L292-L334 HydrophobicContact CD1-CB 4.42Å; L292-L334 HydrophobicContact CD2-CD1 4.16Å; L292-L334 HydrophobicContact CG-CB 4.38Å; G330-L334 WeakPolarHBondContact O-CG 3.31Å; M331-L334 WeakPolarHBondContact O-CB 3.27Å; M331-L334 PolarHBondContact O-N 3.38Å; M331-L334 HydrophobicContact SD-CD1 4.26Å; I332-L334 PolarHBondContact O-N 3.01Å
335	N	98.6	Very high	96.7	Very high	3 Å²	3	27.2 Å²	27.2	2%	0.016	15%	0.148	C	C	.	.	S	Bend	trans	-72.4	150	175.2	-72.4	-53.3	0	0	0	111.1	T243 H268 V291 L292 I332 K333 V338 C373	T243-N335 HydrophobicContact CG2-CB 3.87Å; H268-N335 PolarHBondContact ND1-ND2 2.91Å; V291-N335 PolarHBondContact N-OD1 2.94Å; L292-N335 PolarHBondContact N-OD1 2.98Å; I332-N335 PolarHBondContact O-N 2.69Å; I332-N335 VanDerWaalsContact O-N 3.12Å; K333-N335 VanDerWaalsContact C-N 3.34Å; N335-V338 HydrophobicContact CB-CG2 3.9Å; N335-V338 WeakPolarHBondContact O-CG2 3.24Å; N335-C373 PolarHBondContact O-SG 3.26Å
336	P	98.1	Very high	96.6	Very high	27 Å²	27	24.7 Å²	24.7	18%	0.175	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	142.5	-178.9	31.3	-37	0	0	0	111.7	T243 K289 V338	T243-P336 WeakPolarHBondContact CB-O 3.42Å; T243-P336 PolarHBondContact N-O 3.46Å; T243-P336 VanDerWaalsContact N-O 3.08Å; T243-P336 WeakPolarHBondContact OG1-CD 3.21Å; T243-P336 PolarHBondContact OG1-O 3.4Å; T243-P336 VanDerWaalsContact OG1-O 3.11Å; K289-P336 WeakPolarHBondContact O-CG 3.44Å; P336-V338 PolarHBondContact O-N 2.99Å; P336-V338 VanDerWaalsContact O-N 3.11Å
337	K	98.5	Very high	96.5	Very high	41 Å²	41	24.7 Å²	24.7	18%	0.178	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	40.3	52	172.6	-43.4	178	-177.1	-174.3	0	112.4	E239 D240 S242 C339 D375 K377	E239-K337 HydrophobicContact CB-CD 4.09Å; E239-K337 IonicContact OE2-NZ 2.85Å; E239-K337 PolarHBondContact OE2-NZ 3.28Å; D240-K337 PolarHBondContact O-NZ 2.94Å; S242-K337 WeakPolarHBondContact CB-O 3.42Å; K337-C339 PolarHBondContact O-N 3.14Å; K337-D375 PolarHBondContact N-OD2 3.04Å; K337-K377 HydrophobicContact CB-CB 4.23Å; K337-K377 HydrophobicContact CD-CD 4.47Å; K337-K377 HydrophobicContact CG-CB 3.87Å; K337-K377 HydrophobicContact CG-CD 4.08Å
338	V	98.7	Very high	96.6	Very high	3 Å²	3	24.7 Å²	24.7	2%	0.018	14%	0.139	C	C	.	.			trans	-57.5	119.1	-175.6	179.3	0	0	0	0	109.6	T243 I332 N335 P336 A370 G378 K379	T243-V338 CarbonylContact O-C 3.5Å; T243-V338 WeakPolarHBondContact O-CA 3.43Å; I332-V338 HydrophobicContact CG2-CG1 3.75Å; I332-V338 HydrophobicContact CG2-CG2 4.25Å; I332-V338 VanDerWaalsContact O-CG2 3.28Å; I332-V338 WeakPolarHBondContact O-CG2 3.39Å; N335-V338 HydrophobicContact CB-CG2 3.9Å; N335-V338 WeakPolarHBondContact O-CG2 3.24Å; P336-V338 PolarHBondContact O-N 2.99Å; P336-V338 VanDerWaalsContact O-N 3.11Å; V338-A370 HydrophobicContact CB-CB 4.16Å; V338-A370 HydrophobicContact CG1-CB 3.85Å; V338-A370 WeakPolarHBondContact O-CB 3.48Å; V338-G378 CarbonylContact O-C 3.59Å; V338-G378 WeakPolarHBondContact O-CA 3.27Å; V338-K379 PolarHBondContact O-N 3.4Å
339	C	98.5	Very high	96.5	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.007	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	98.2	178.5	-165	0	0	0	0	108.2	T243 L244 Q245 K337 K379 I381	T243-C339 PolarHBondContact O-N 2.94Å; L244-C339 HydrophobicContact CD2-CB 3.88Å; Q245-C339 PolarHBondContact N-O 2.94Å; K337-C339 PolarHBondContact O-N 3.14Å; C339-K379 WeakPolarHBondContact CA-O 3.25Å; C339-I381 WeakPolarHBondContact SG-CD1 3.17Å
340	A	97.7	Very high	96.5	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	106	-178.3	0	0	0	0	0	109.4	F366 A370 K379 I381	A340-F366 HydrophobicContact CB-CB 3.89Å; A340-F366 WeakPolarHBondContact CB-O 3.45Å; A340-A370 HydrophobicContact CB-CB 3.79Å; A340-K379 PolarHBondContact N-O 3.32Å; A340-I381 WeakPolarHBondContact O-CA 3.26Å; A340-I381 PolarHBondContact O-N 2.84Å
341	I	96.5	Very high	96.4	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.005	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	107.3	-174.4	-58.4	156.3	0	0	0	108.8	I233 V238 Q245 M246 V255 I381	I233-I341 HydrophobicContact CD1-CG2 4.15Å; I233-I341 HydrophobicContact CG2-CD1 3.95Å; I233-I341 HydrophobicContact CG2-CG1 4.18Å; V238-I341 HydrophobicContact CG2-CD1 4.42Å; Q245-I341 PolarHBondContact O-N 3.24Å; M246-I341 HydrophobicContact CB-CB 4.44Å; M246-I341 HydrophobicContact CE-CD1 4.22Å; V255-I341 HydrophobicContact CG1-CD1 3.9Å; V255-I341 HydrophobicContact CG2-CG2 4.37Å; I341-I381 HydrophobicContact CG1-CB 4.49Å; I341-I381 HydrophobicContact CG1-CD1 4.07Å
342	N	93.9	Very high	96.3	Very high	17 Å²	17	18.5 Å²	18.5	9%	0.091	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	165.9	-176.2	-68	-79	0	0	0	111.2	Q245 Q363 I381 M382 A383	Q245-N342 PolarHBondContact NE2-OD1 3.45Å; Q245-N342 VanDerWaalsContact NE2-OD1 3.11Å; Q245-N342 PolarHBondContact OE1-ND2 3.31Å; N342-Q363 HydrophobicContact CB-CG 3.97Å; N342-I381 PolarHBondContact N-O 3.14Å; N342-M382 HydrophobicContact CB-CE 3.91Å; N342-M382 HydrophobicContact CB-SD 4.42Å; N342-M382 CarbonylContact O-C 3.37Å; N342-M382 WeakPolarHBondContact O-CA 3.45Å; N342-A383 PolarHBondContact O-N 2.75Å
343	S	91.2	Very high	96.1	Very high	46 Å²	46	18.4 Å²	18.4	32%	0.322	10%	0.098	S	C	.	.			trans	-123.8	151.6	176.1	-66.8	0	0	0	0	112.1	Q363 A383	S343-Q363 PolarHBondContact O-NE2 3.01Å; S343-A383 VanDerWaalsContact CA-O 3.28Å; S343-A383 WeakPolarHBondContact CA-O 3.44Å; S343-A383 VanDerWaalsContact CB-O 3.3Å; S343-A383 WeakPolarHBondContact CB-O 3.37Å; S343-A383 PolarHBondContact OG-O 3.47Å
344	G	88.9	Confident	95.8	Very high	8 Å²	8	15.3 Å²	15.3	8%	0.082	9%	0.085	C	C	.	.			trans	-129	171.5	178.8	0	0	0	0	0	111.4	M382	G344-M382 PolarHBondContact N-SD 3.2Å
345	I	91	Very high	95.2	Very high	53 Å²	53	12.3 Å²	12.3	27%	0.272	7%	0.07	S	C	.	.	S	Bend	trans	-84.3	-52.8	177.7	-59.5	166.4	0	0	0	109.4	V354 S357 I358	I345-V354 HydrophobicContact CB-CG1 4.49Å; I345-V354 WeakPolarHBondContact CB-O 3.43Å; I345-V354 HydrophobicContact CD1-CG1 4.45Å; I345-V354 PolarHBondContact N-O 3.44Å; I345-S357 WeakPolarHBondContact CD1-OG 3.44Å; I345-I358 HydrophobicContact CD1-CD1 4.17Å; I345-I358 HydrophobicContact CD1-CG1 4.11Å; I345-I358 HydrophobicContact CG1-CD1 3.62Å; I345-I358 HydrophobicContact CG1-CG1 4.1Å
346	E	94.8	Very high	94.1	Very high	8 Å²	8	15 Å²	15	4%	0.037	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	154.1	178.7	59.6	-175.6	-153	0	0	110.4	V354 K394 V396 P399 K400	E346-V354 HydrophobicContact CG-CB 3.49Å; E346-V354 VanDerWaalsContact CG-CB 3.49Å; E346-V354 HydrophobicContact CG-CG1 3.96Å; E346-V354 HydrophobicContact CG-CG2 3.69Å; E346-V354 PolarHBondContact O-N 3.01Å; E346-K394 CarbonylContact C-O 3.54Å; E346-K394 WeakPolarHBondContact CA-O 3.22Å; E346-K394 WeakPolarHBondContact CB-O 3.48Å; E346-V396 HydrophobicContact CB-CG1 4.28Å; E346-V396 HydrophobicContact CB-CG2 4.26Å; E346-V396 HydrophobicContact CG-CG2 4.32Å; E346-P399 VanDerWaalsContact OE1-CA 3.23Å; E346-P399 WeakPolarHBondContact OE1-CA 3.35Å; E346-K400 PolarHBondContact OE1-N 2.87Å
347	V	97.7	Very high	92.4	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	124.4	172.9	-178.1	0	0	0	0	107.7	Q352 I353 M382 L384 K394 I395 V396 I415 L436	V347-Q352 CarbonylContact C-O 3.48Å; V347-Q352 VanDerWaalsContact CA-O 3.31Å; V347-Q352 WeakPolarHBondContact CA-O 3.42Å; V347-I353 HydrophobicContact CG1-CG1 4.45Å; V347-I353 HydrophobicContact CG2-CG1 4.13Å; V347-I353 HydrophobicContact CG2-CG2 4.41Å; V347-M382 HydrophobicContact CG2-CG 4.5Å; V347-L384 HydrophobicContact CG2-CD1 3.88Å; V347-L384 HydrophobicContact CG2-CD2 4Å; V347-K394 PolarHBondContact N-O 2.86Å; V347-I395 CarbonylContact O-C 3.6Å; V347-I395 VanDerWaalsContact O-CA 3.3Å; V347-I395 WeakPolarHBondContact O-CA 3.34Å; V347-V396 PolarHBondContact O-N 3.02Å; V347-I415 HydrophobicContact CG1-CD1 4.35Å; V347-I415 HydrophobicContact CG1-CG1 4.48Å; V347-I415 HydrophobicContact CG2-CD1 4.43Å; V347-I415 HydrophobicContact CG2-CG2 4.26Å; V347-L436 HydrophobicContact CG1-CD2 4.05Å
348	D	97.4	Very high	90.5	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	163.8	175.8	89.5	-4	0	0	0	111.8	T350 G351 Q352 V396 P399 L436	D348-T350 VanDerWaalsContact CG-OG1 3.28Å; D348-T350 PolarHBondContact O-N 2.78Å; D348-T350 VanDerWaalsContact OD1-CA 3.29Å; D348-T350 WeakPolarHBondContact OD1-CA 3.5Å; D348-T350 WeakPolarHBondContact OD1-CB 3.23Å; D348-T350 PolarHBondContact OD1-N 2.71Å; D348-T350 PolarHBondContact OD1-OG1 3.45Å; D348-T350 PolarHBondContact OD2-OG1 2.66Å; D348-G351 WeakPolarHBondContact O-CA 2.86Å; D348-G351 PolarHBondContact O-N 2.95Å; D348-G351 PolarHBondContact OD1-N 3.07Å; D348-Q352 PolarHBondContact N-O 3.4Å; D348-Q352 WeakPolarHBondContact OD1-CB 3.45Å; D348-Q352 PolarHBondContact OD1-N 3.19Å; D348-Q352 PolarHBondContact OD2-NE2 3.22Å; D348-V396 CarbonylContact C-O 3.3Å; D348-V396 VanDerWaalsContact C-O 3.3Å; D348-V396 WeakPolarHBondContact CA-O 3.27Å; D348-V396 HydrophobicContact CB-CG2 4.21Å; D348-P399 HydrophobicContact CB-CG 3.9Å; D348-L436 WeakPolarHBondContact O-CD1 3.24Å
349	I	97.4	Very high	88.6	Confident	1 Å²	1	19.1 Å²	19.1	1%	0.005	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-13.2	-177.3	-158.3	59.2	0	0	0	113.6	V396 A397 A433 L436 I437 L448 F452 F456	I349-V396 PolarHBondContact N-O 2.88Å; I349-A397 VanDerWaalsContact CG2-O 3.25Å; I349-A397 WeakPolarHBondContact CG2-O 3.18Å; I349-A433 HydrophobicContact CD1-CB 4.13Å; I349-A433 HydrophobicContact CG1-CB 3.82Å; I349-L436 HydrophobicContact CD1-CB 4.34Å; I349-L436 WeakPolarHBondContact O-CD1 3.37Å; I349-I437 HydrophobicContact CD1-CD1 4.01Å; I349-I437 HydrophobicContact CD1-CG1 3.72Å; I349-L448 HydrophobicContact CD1-CB 4.35Å; I349-L448 HydrophobicContact CD1-CD2 4.42Å; I349-F452 HydrophobicContact CG1-CB 4.43Å; I349-F452 HydrophobicContact CG1-CD2 3.98Å; I349-F452 HydrophobicContact CG2-CD2 4.32Å; I349-F456 HydrophobicContact CG2-CE2 4.47Å
350	T	95.6	Very high	87.1	Confident	2 Å²	2	21.1 Å²	21.1	1%	0.012	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-6.2	173.8	77.6	0	0	0	0	112.3	D348 R409 M429 R432 F456	D348-T350 VanDerWaalsContact CG-OG1 3.28Å; D348-T350 PolarHBondContact O-N 2.78Å; D348-T350 VanDerWaalsContact OD1-CA 3.29Å; D348-T350 WeakPolarHBondContact OD1-CA 3.5Å; D348-T350 WeakPolarHBondContact OD1-CB 3.23Å; D348-T350 PolarHBondContact OD1-N 2.71Å; D348-T350 PolarHBondContact OD1-OG1 3.45Å; D348-T350 PolarHBondContact OD2-OG1 2.66Å; T350-R409 WeakPolarHBondContact O-CB 3.38Å; T350-R409 PolarHBondContact OG1-NE 2.88Å; T350-M429 HydrophobicContact CG2-SD 4.07Å; T350-R432 WeakPolarHBondContact O-CD 3.41Å; T350-R432 PolarHBondContact O-NH1 3.48Å; T350-F456 HydrophobicContact CG2-CE2 4.29Å; T350-F456 HydrophobicContact CG2-CZ 3.85Å
351	G	96.6	Very high	86.3	Confident	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.126	C	C	.	.			trans	84.9	19.7	-177.4	0	0	0	0	0	114.8	D348 R409 A412	D348-G351 WeakPolarHBondContact O-CA 2.86Å; D348-G351 PolarHBondContact O-N 2.95Å; D348-G351 PolarHBondContact OD1-N 3.07Å; G351-R409 WeakPolarHBondContact O-CA 3.44Å; G351-A412 VanDerWaalsContact O-CB 3.24Å; G351-A412 WeakPolarHBondContact O-CB 3.11Å
352	Q	95.5	Very high	85.8	Confident	38 Å²	38	21.3 Å²	21.3	18%	0.178	13%	0.125	C	C	.	.			trans	-73.3	139.9	166.7	-63.4	-173.2	112.7	0	0	109.6	V347 D348 V405 R409	V347-Q352 CarbonylContact C-O 3.48Å; V347-Q352 VanDerWaalsContact CA-O 3.31Å; V347-Q352 WeakPolarHBondContact CA-O 3.42Å; D348-Q352 PolarHBondContact N-O 3.4Å; D348-Q352 WeakPolarHBondContact OD1-CB 3.45Å; D348-Q352 PolarHBondContact OD1-N 3.19Å; D348-Q352 PolarHBondContact OD2-NE2 3.22Å; Q352-V405 HydrophobicContact CB-CG1 3.93Å; Q352-V405 HydrophobicContact CB-CG2 4.08Å; Q352-V405 HydrophobicContact CG-CG1 4.35Å; Q352-R409 HydrophobicContact CG-CB 3.78Å; Q352-R409 HydrophobicContact CG-CG 4.31Å
353	I	94.6	Very high	85.5	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	122.5	-176.3	-52.5	163.9	0	0	0	108.7	V347 M382 V406 T407 A412 I415	V347-I353 HydrophobicContact CG1-CG1 4.45Å; V347-I353 HydrophobicContact CG2-CG1 4.13Å; V347-I353 HydrophobicContact CG2-CG2 4.41Å; I353-M382 HydrophobicContact CD1-CB 3.82Å; I353-M382 HydrophobicContact CD1-CE 3.76Å; I353-M382 HydrophobicContact CD1-CG 3.74Å; I353-M382 HydrophobicContact CD1-SD 4.43Å; I353-M382 HydrophobicContact CG1-CG 4.24Å; I353-M382 HydrophobicContact CG2-CE 3.97Å; I353-M382 HydrophobicContact CG2-CG 3.91Å; I353-M382 HydrophobicContact CG2-SD 3.86Å; I353-V406 PolarHBondContact O-N 3.29Å; I353-V406 VanDerWaalsContact O-N 3.13Å; I353-T407 HydrophobicContact CD1-CG2 3.81Å; I353-T407 PolarHBondContact N-O 2.93Å; I353-T407 PolarHBondContact O-N 2.89Å; I353-A412 HydrophobicContact CD1-CB 4.03Å; I353-I415 HydrophobicContact CD1-CD1 4.02Å; I353-I415 HydrophobicContact CG1-CD1 4.37Å
354	V	92.8	Very high	85.6	Confident	6 Å²	6	19.7 Å²	19.7	4%	0.036	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	123.8	174.9	174	0	0	0	0	108.4	I345 E346 P399 A403 G404 V405	I345-V354 HydrophobicContact CB-CG1 4.49Å; I345-V354 WeakPolarHBondContact CB-O 3.43Å; I345-V354 HydrophobicContact CD1-CG1 4.45Å; I345-V354 PolarHBondContact N-O 3.44Å; E346-V354 HydrophobicContact CG-CB 3.49Å; E346-V354 VanDerWaalsContact CG-CB 3.49Å; E346-V354 HydrophobicContact CG-CG1 3.96Å; E346-V354 HydrophobicContact CG-CG2 3.69Å; E346-V354 PolarHBondContact O-N 3.01Å; V354-P399 HydrophobicContact CG2-CB 3.94Å; V354-P399 HydrophobicContact CG2-CG 4.21Å; V354-A403 HydrophobicContact CG1-CB 3.82Å; V354-A403 HydrophobicContact CG2-CB 4.22Å; V354-G404 WeakPolarHBondContact CA-O 3.5Å; V354-V405 HydrophobicContact CG2-CG2 4.36Å
355	A	86	Confident	85.9	Confident	3 Å²	3	19.7 Å²	19.7	3%	0.025	11%	0.111	C	C	.	.			trans	-142.8	3.6	176.2	0	0	0	0	0	113	S357 I358 G359 V406	A355-S357 VanDerWaalsContact C-N 3.34Å; A355-S357 PolarHBondContact O-N 3.4Å; A355-I358 WeakPolarHBondContact O-CA 3.5Å; A355-I358 VanDerWaalsContact O-CB 3.29Å; A355-I358 WeakPolarHBondContact O-CB 3.43Å; A355-I358 PolarHBondContact O-N 3.4Å; A355-G359 PolarHBondContact O-N 3.44Å; A355-V406 HydrophobicContact CB-CB 4.09Å; A355-V406 HydrophobicContact CB-CG2 4.01Å
356	D	74.9	Confident	86.1	Confident	61 Å²	61	17.1 Å²	17.1	33%	0.326	10%	0.098	S	C	.	.	G	3₁₀ helix	trans	-61.8	-35.6	-165.5	-171.9	35.7	0	0	0	114.2	I358 G359 F360 G404 V406	D356-I358 PolarHBondContact O-N 2.79Å; D356-G359 WeakPolarHBondContact O-CA 3.34Å; D356-G359 PolarHBondContact O-N 2.85Å; D356-F360 VanDerWaalsContact OD1-CE2 3.23Å; D356-F360 WeakPolarHBondContact OD1-CE2 3.39Å; D356-G404 WeakPolarHBondContact CB-O 3.45Å; D356-V406 HydrophobicContact CB-CG2 3.91Å
357	S	62.3	Low	86.1	Confident	83 Å²	83	16.8 Å²	16.8	58%	0.58	10%	0.096	S	C	*	.	G	3₁₀ helix	trans	-70.1	-4.8	176.3	79.6	0	0	0	0	114	I345 A355	I345-S357 WeakPolarHBondContact CD1-OG 3.44Å; A355-S357 VanDerWaalsContact C-N 3.34Å; A355-S357 PolarHBondContact O-N 3.4Å
358	I	59.5	Low	86.1	Confident	66 Å²	66	22.3 Å²	22.3	34%	0.338	12%	0.117	S	C	.	.	G	3₁₀ helix	trans	-96.7	-23.1	169.4	-57.3	168	0	0	0	110.3	F112 I345 A355 D356	F112-I358 WeakPolarHBondContact CE2-O 3.15Å; F112-I358 HydrophobicContact CZ-CG2 4.11Å; F112-I358 WeakPolarHBondContact CZ-O 3.4Å; I345-I358 HydrophobicContact CD1-CD1 4.17Å; I345-I358 HydrophobicContact CD1-CG1 4.11Å; I345-I358 HydrophobicContact CG1-CD1 3.62Å; I345-I358 HydrophobicContact CG1-CG1 4.1Å; A355-I358 WeakPolarHBondContact O-CA 3.5Å; A355-I358 VanDerWaalsContact O-CB 3.29Å; A355-I358 WeakPolarHBondContact O-CB 3.43Å; A355-I358 PolarHBondContact O-N 3.4Å; D356-I358 PolarHBondContact O-N 2.79Å
359	G	58.6	Low	86.1	Confident	8 Å²	8	22.3 Å²	22.3	8%	0.082	12%	0.117	C	C	.	.			trans	108.2	158.9	-175.2	0	0	0	0	0	112.4	A355 D356 G361	A355-G359 PolarHBondContact O-N 3.44Å; D356-G359 WeakPolarHBondContact O-CA 3.34Å; D356-G359 PolarHBondContact O-N 2.85Å; G359-G361 VanDerWaalsContact C-N 3.33Å; G359-G361 PolarHBondContact O-N 2.85Å
360	F	66.7	Low	86.1	Confident	42 Å²	42	22.3 Å²	22.3	18%	0.184	12%	0.117	C	C	.	.	S	Bend	trans	-67	-32.4	-179.4	-88.4	-107.9	0	0	0	112.6	I131 F132 D356 V406	I131-F360 WeakPolarHBondContact O-CB 3.48Å; F132-F360 HydrophobicContact CD1-CD1 4.12Å; F132-F360 AromaticContact CE1-CD1 3.8Å; F132-F360 HydrophobicContact CE1-CD1 3.8Å; F132-F360 HydrophobicContact CE1-CE1 4.38Å; D356-F360 VanDerWaalsContact OD1-CE2 3.23Å; D356-F360 WeakPolarHBondContact OD1-CE2 3.39Å; F360-V406 HydrophobicContact CD1-CG1 3.99Å; F360-V406 HydrophobicContact CD2-CG2 4.37Å; F360-V406 HydrophobicContact CE1-CG1 4.38Å; F360-V406 HydrophobicContact CE2-CG2 4.31Å; F360-V406 HydrophobicContact CG-CG1 4.28Å; F360-V406 HydrophobicContact CZ-CG2 4.39Å
361	G	79.8	Confident	86.2	Confident	6 Å²	6	23.6 Å²	23.6	6%	0.062	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.8	-164.6	173.2	0	0	0	0	0	114.7	L133 G359 Q363	L133-G361 PolarHBondContact N-O 2.81Å; L133-G361 VanDerWaalsContact N-O 3.13Å; G359-G361 VanDerWaalsContact C-N 3.33Å; G359-G361 PolarHBondContact O-N 2.85Å; G361-Q363 VanDerWaalsContact C-N 3.31Å
362	G	86	Confident	86.3	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	12.6	167.5	0	0	0	0	0	114.2	E270 N327 V364 D365 F366	E270-G362 WeakPolarHBondContact OE2-CA 3.39Å; E270-G362 PolarHBondContact OE2-N 3.11Å; N327-G362 VanDerWaalsContact ND2-CA 3.28Å; N327-G362 WeakPolarHBondContact ND2-CA 3.44Å; G362-V364 VanDerWaalsContact C-N 3.35Å; G362-V364 PolarHBondContact O-N 3.36Å; G362-D365 WeakPolarHBondContact CA-OD2 3.01Å; G362-D365 WeakPolarHBondContact O-CB 3.45Å; G362-D365 PolarHBondContact O-N 2.63Å; G362-F366 WeakPolarHBondContact O-CD2 3.32Å; G362-F366 PolarHBondContact O-N 3.02Å
363	Q	89	Confident	86.4	Confident	17 Å²	17	24.9 Å²	24.9	8%	0.079	14%	0.136	C	C	.	.	H	α-helix	trans	-56.3	-50.2	-179.6	176	178.2	107.4	0	0	110.9	N342 S343 G361 D365 M367 M382 T407	N342-Q363 HydrophobicContact CB-CG 3.97Å; S343-Q363 PolarHBondContact O-NE2 3.01Å; G361-Q363 VanDerWaalsContact C-N 3.31Å; Q363-D365 VanDerWaalsContact C-N 3.33Å; Q363-D365 PolarHBondContact O-N 3.38Å; Q363-M367 HydrophobicContact CG-CG 4.09Å; Q363-M367 WeakPolarHBondContact O-CB 3.21Å; Q363-M367 WeakPolarHBondContact O-CG 3.23Å; Q363-M367 PolarHBondContact O-N 3.49Å; Q363-M382 HydrophobicContact CG-CE 3.99Å; Q363-T407 PolarHBondContact OE1-OG1 3.08Å
364	V	92	Very high	86.5	Confident	12 Å²	12	29.5 Å²	29.5	7%	0.073	17%	0.165	C	C	.	.	H	α-helix	trans	-67.2	-38.1	-178	176.1	0	0	0	0	111.3	F132 G362 R368 V406	F132-V364 HydrophobicContact CD1-CB 3.99Å; F132-V364 HydrophobicContact CD1-CG1 4.4Å; F132-V364 HydrophobicContact CD1-CG2 4.36Å; F132-V364 HydrophobicContact CE1-CB 3.7Å; F132-V364 HydrophobicContact CE1-CG1 3.83Å; F132-V364 HydrophobicContact CE1-CG2 3.77Å; F132-V364 HydrophobicContact CZ-CG1 4.15Å; G362-V364 VanDerWaalsContact C-N 3.35Å; G362-V364 PolarHBondContact O-N 3.36Å; V364-R368 WeakPolarHBondContact O-CB 3.49Å; V364-R368 PolarHBondContact O-N 3.34Å; V364-V406 HydrophobicContact CG2-CG1 3.87Å
365	D	94.9	Very high	86.7	Confident	7 Å²	7	32.4 Å²	32.4	4%	0.037	18%	0.18	C	C	.	.	H	α-helix	trans	-54.7	-54.8	177	-66	-29.5	0	0	0	111.1	S134 N327 G362 Q363 R368 G369	S134-D365 WeakPolarHBondContact CB-OD2 3.41Å; S134-D365 PolarHBondContact N-OD2 3.13Å; S134-D365 VanDerWaalsContact OG-CG 3.26Å; S134-D365 PolarHBondContact OG-OD1 3.41Å; S134-D365 PolarHBondContact OG-OD2 3.34Å; N327-D365 HydrophobicContact CB-CB 3.94Å; N327-D365 WeakPolarHBondContact CB-OD2 3.24Å; N327-D365 PolarHBondContact ND2-OD2 3.03Å; N327-D365 VanDerWaalsContact O-CB 3.25Å; N327-D365 WeakPolarHBondContact O-CB 3.12Å; G362-D365 WeakPolarHBondContact CA-OD2 3.01Å; G362-D365 WeakPolarHBondContact O-CB 3.45Å; G362-D365 PolarHBondContact O-N 2.63Å; Q363-D365 VanDerWaalsContact C-N 3.33Å; Q363-D365 PolarHBondContact O-N 3.38Å; D365-R368 PolarHBondContact O-N 3.15Å; D365-G369 PolarHBondContact O-N 2.92Å
366	F	96.2	Very high	87.2	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-74.9	-37.1	-178.8	-82.1	-81.3	0	0	0	113.7	Q245 H268 E270 I326 I332 A340 G362 R368 G369 A370	Q245-F366 HydrophobicContact CB-CB 4.42Å; Q245-F366 HydrophobicContact CB-CD1 3.38Å; Q245-F366 HydrophobicContact CB-CE1 3.65Å; Q245-F366 HydrophobicContact CB-CG 3.9Å; Q245-F366 HydrophobicContact CB-CZ 4.39Å; Q245-F366 HydrophobicContact CG-CB 4.01Å; Q245-F366 HydrophobicContact CG-CD1 3.42Å; Q245-F366 VanDerWaalsContact CG-CD1 3.42Å; Q245-F366 HydrophobicContact CG-CD2 3.72Å; Q245-F366 HydrophobicContact CG-CE1 3.7Å; Q245-F366 HydrophobicContact CG-CE2 3.99Å; Q245-F366 HydrophobicContact CG-CG 3.42Å; Q245-F366 VanDerWaalsContact CG-CG 3.42Å; Q245-F366 HydrophobicContact CG-CZ 3.99Å; H268-F366 AromaticContact CD2-CE1 3.84Å; H268-F366 AromaticContact CD2-CZ 3.91Å; H268-F366 WeakPolarHBondContact O-CE1 3.24Å; E270-F366 HydrophobicContact CB-CE2 3.95Å; I326-F366 HydrophobicContact CG2-CZ 4.34Å; I332-F366 HydrophobicContact CD1-CD1 3.64Å; I332-F366 HydrophobicContact CD1-CD2 4.13Å; I332-F366 HydrophobicContact CD1-CE1 3.66Å; I332-F366 HydrophobicContact CD1-CE2 4.14Å; I332-F366 HydrophobicContact CD1-CG 3.89Å; I332-F366 HydrophobicContact CD1-CZ 3.92Å; I332-F366 HydrophobicContact CG1-CD1 4.05Å; I332-F366 HydrophobicContact CG1-CE1 3.72Å; I332-F366 HydrophobicContact CG1-CZ 4.15Å; I332-F366 HydrophobicContact CG2-CD1 3.93Å; I332-F366 HydrophobicContact CG2-CE1 4.15Å; A340-F366 HydrophobicContact CB-CB 3.89Å; A340-F366 WeakPolarHBondContact CB-O 3.45Å; G362-F366 WeakPolarHBondContact O-CD2 3.32Å; G362-F366 PolarHBondContact O-N 3.02Å; F366-R368 VanDerWaalsContact C-N 3.27Å; F366-R368 PolarHBondContact O-N 2.87Å; F366-G369 PolarHBondContact O-N 2.83Å; F366-A370 VanDerWaalsContact O-CB 3.28Å; F366-A370 WeakPolarHBondContact O-CB 3.47Å; F366-A370 PolarHBondContact O-N 2.96Å
367	M	95.2	Very high	88.3	Confident	1 Å²	1	37.8 Å²	37.8	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-59.8	-42.3	173.1	-71.7	-70.6	-72.5	0	0	110.5	Q363 A371 P380 M382 T407	Q363-M367 HydrophobicContact CG-CG 4.09Å; Q363-M367 WeakPolarHBondContact O-CB 3.21Å; Q363-M367 WeakPolarHBondContact O-CG 3.23Å; Q363-M367 PolarHBondContact O-N 3.49Å; M367-A371 WeakPolarHBondContact O-CB 3.43Å; M367-A371 PolarHBondContact O-N 2.94Å; M367-P380 HydrophobicContact CB-CB 4.23Å; M367-P380 HydrophobicContact CE-CB 3.73Å; M367-P380 VanDerWaalsContact O-CB 3.3Å; M367-P380 WeakPolarHBondContact O-CB 3.39Å; M367-P380 HydrophobicContact SD-CB 3.57Å; M367-P380 VanDerWaalsContact SD-CB 3.57Å; M367-M382 HydrophobicContact CE-CE 4.29Å; M367-M382 HydrophobicContact SD-CE 4.42Å; M367-T407 HydrophobicContact CE-CG2 4.49Å
368	R	96.4	Very high	90	Very high	116 Å²	116	34.5 Å²	34.5	44%	0.438	20%	0.199	S	C	.	.	H	α-helix	trans	-69.9	-47.2	176.7	-177.8	56.8	177.6	173.1	0.7	111.6	P329 V364 D365 F366 A370 A371 I372	P329-R368 HydrophobicContact CB-CB 4.46Å; P329-R368 HydrophobicContact CB-CG 4.17Å; P329-R368 HydrophobicContact CG-CB 4.39Å; P329-R368 HydrophobicContact CG-CG 4.36Å; V364-R368 WeakPolarHBondContact O-CB 3.49Å; V364-R368 PolarHBondContact O-N 3.34Å; D365-R368 PolarHBondContact O-N 3.15Å; F366-R368 VanDerWaalsContact C-N 3.27Å; F366-R368 PolarHBondContact O-N 2.87Å; R368-A370 VanDerWaalsContact C-N 3.32Å; R368-A370 PolarHBondContact O-N 3.2Å; R368-A371 WeakPolarHBondContact O-CB 3.43Å; R368-A371 PolarHBondContact O-N 3.37Å; R368-A371 VanDerWaalsContact O-N 3.14Å; R368-I372 HydrophobicContact CG-CD1 4.4Å; R368-I372 WeakPolarHBondContact O-CG1 3.38Å; R368-I372 PolarHBondContact O-N 2.73Å; R368-I372 VanDerWaalsContact O-N 3.1Å
369	G	97.7	Very high	91.9	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-57.5	-42.9	179.3	0	0	0	0	0	112.7	D365 F366 C373	D365-G369 PolarHBondContact O-N 2.92Å; F366-G369 PolarHBondContact O-N 2.83Å; G369-C373 PolarHBondContact O-N 3.4Å
370	A	98.2	Very high	93.7	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.008	18%	0.184	C	C	.	.	H	α-helix	trans	-66.9	-41.7	173.6	0	0	0	0	0	112.4	V338 A340 F366 R368 I372 C373 G378 P380	V338-A370 HydrophobicContact CB-CB 4.16Å; V338-A370 HydrophobicContact CG1-CB 3.85Å; V338-A370 WeakPolarHBondContact O-CB 3.48Å; A340-A370 HydrophobicContact CB-CB 3.79Å; F366-A370 VanDerWaalsContact O-CB 3.28Å; F366-A370 WeakPolarHBondContact O-CB 3.47Å; F366-A370 PolarHBondContact O-N 2.96Å; R368-A370 VanDerWaalsContact C-N 3.32Å; R368-A370 PolarHBondContact O-N 3.2Å; A370-I372 PolarHBondContact O-N 2.78Å; A370-C373 VanDerWaalsContact O-CB 3.28Å; A370-C373 WeakPolarHBondContact O-CB 3.44Å; A370-C373 PolarHBondContact O-N 3.44Å; A370-G378 CarbonylContact O-C 3.49Å; A370-G378 VanDerWaalsContact O-CA 3.27Å; A370-G378 WeakPolarHBondContact O-CA 3.32Å; A370-P380 HydrophobicContact CB-CB 4.04Å; A370-P380 HydrophobicContact CB-CG 4.38Å
371	A	97.7	Very high	95.2	Very high	29 Å²	29	30.2 Å²	30.2	24%	0.24	18%	0.175	C	C	.	.	H	α-helix	trans	-60.3	-33.5	178.9	0	0	0	0	0	113.3	M367 R368 P380	M367-A371 WeakPolarHBondContact O-CB 3.43Å; M367-A371 PolarHBondContact O-N 2.94Å; R368-A371 WeakPolarHBondContact O-CB 3.43Å; R368-A371 PolarHBondContact O-N 3.37Å; R368-A371 VanDerWaalsContact O-N 3.14Å; A371-P380 HydrophobicContact CB-CG 3.92Å
372	I	97.5	Very high	96	Very high	58 Å²	58	30 Å²	30	30%	0.297	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.1	17.3	-177.5	72	-177.1	0	0	0	113.2	P329 K333 R368 A370 T374	P329-I372 HydrophobicContact CB-CD1 4.34Å; K333-I372 HydrophobicContact CB-CG1 3.97Å; K333-I372 HydrophobicContact CD-CD1 4.03Å; K333-I372 HydrophobicContact CD-CG1 3.97Å; R368-I372 HydrophobicContact CG-CD1 4.4Å; R368-I372 WeakPolarHBondContact O-CG1 3.38Å; R368-I372 PolarHBondContact O-N 2.73Å; R368-I372 VanDerWaalsContact O-N 3.1Å; A370-I372 PolarHBondContact O-N 2.78Å; I372-T374 PolarHBondContact O-N 2.9Å
373	C	97.7	Very high	96.6	Very high	7 Å²	7	30 Å²	30	5%	0.047	17%	0.172	C	C	.	.			trans	-47.8	132.4	-179.5	-167.2	0	0	0	0	111.1	N335 G369 A370 D375 G376	N335-C373 PolarHBondContact O-SG 3.26Å; G369-C373 PolarHBondContact O-N 3.4Å; A370-C373 VanDerWaalsContact O-CB 3.28Å; A370-C373 WeakPolarHBondContact O-CB 3.44Å; A370-C373 PolarHBondContact O-N 3.44Å; C373-D375 PolarHBondContact O-N 3.08Å; C373-D375 VanDerWaalsContact O-N 3.16Å; C373-D375 PolarHBondContact SG-OD1 3.2Å; C373-G376 PolarHBondContact O-N 3.16Å
374	T	97.2	Very high	96.9	Very high	97 Å²	97	29.2 Å²	29.2	60%	0.595	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-30.2	-167.7	-55.6	0	0	0	0	112.5	K333 I372 G376	K333-T374 WeakPolarHBondContact O-CB 3.3Å; K333-T374 PolarHBondContact O-N 3.13Å; K333-T374 PolarHBondContact O-OG1 3.13Å; I372-T374 PolarHBondContact O-N 2.9Å; T374-G376 VanDerWaalsContact C-N 3.3Å
375	D	97.5	Very high	97.2	Very high	66 Å²	66	29.7 Å²	29.7	35%	0.353	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-2.7	177.7	67.9	1.1	0	0	0	114.1	K337 C373 K377	K337-D375 PolarHBondContact N-OD2 3.04Å; C373-D375 PolarHBondContact O-N 3.08Å; C373-D375 VanDerWaalsContact O-N 3.16Å; C373-D375 PolarHBondContact SG-OD1 3.2Å; D375-K377 PolarHBondContact O-N 2.86Å; D375-K377 PolarHBondContact OD1-N 2.96Å
376	G	96.5	Very high	97.3	Very high	70 Å²	70	29.3 Å²	29.3	72%	0.722	17%	0.17	S	C	*	.	S	Bend	trans	69.6	8.3	-177.1	0	0	0	0	0	115	C373 T374	C373-G376 PolarHBondContact O-N 3.16Å; T374-G376 VanDerWaalsContact C-N 3.3Å
377	K	98.1	Very high	97.4	Very high	108 Å²	108	30.6 Å²	30.6	47%	0.47	18%	0.178	S	C	.	.			trans	-108	3.7	-175.4	-63.1	-179.1	-178.1	-177.1	0	113.8	K337 D375	K337-K377 HydrophobicContact CB-CB 4.23Å; K337-K377 HydrophobicContact CD-CD 4.47Å; K337-K377 HydrophobicContact CG-CB 3.87Å; K337-K377 HydrophobicContact CG-CD 4.08Å; D375-K377 PolarHBondContact O-N 2.86Å; D375-K377 PolarHBondContact OD1-N 2.96Å
378	G	98.2	Very high	97.3	Very high	14 Å²	14	32.6 Å²	32.6	14%	0.144	19%	0.191	C	C	.	.			trans	-66.8	145.1	178.4	0	0	0	0	0	112.7	V338 A370	V338-G378 CarbonylContact O-C 3.59Å; V338-G378 WeakPolarHBondContact O-CA 3.27Å; A370-G378 CarbonylContact O-C 3.49Å; A370-G378 VanDerWaalsContact O-CA 3.27Å; A370-G378 WeakPolarHBondContact O-CA 3.32Å
379	K	98.4	Very high	97	Very high	26 Å²	26	35.7 Å²	35.7	11%	0.113	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	101.1	-173.9	-66.8	171.9	-168.4	171.6	0	109.4	L237 E239 V338 C339 A340 I381 Y414	L237-K379 HydrophobicContact CB-CD 4.23Å; L237-K379 WeakPolarHBondContact O-CD 3.33Å; L237-K379 WeakPolarHBondContact O-CE 3.41Å; L237-K379 PolarHBondContact O-NZ 3.08Å; E239-K379 IonicContact OE1-NZ 3.59Å; E239-K379 PolarHBondContact OE1-NZ 3.08Å; V338-K379 PolarHBondContact O-N 3.4Å; C339-K379 WeakPolarHBondContact CA-O 3.25Å; A340-K379 PolarHBondContact N-O 3.32Å; K379-I381 HydrophobicContact CB-CD1 4.27Å; K379-I381 HydrophobicContact CB-CG1 4.26Å; K379-Y414 HydrophobicContact CB-CD2 4.26Å; K379-Y414 HydrophobicContact CB-CE2 4.04Å; K379-Y414 HydrophobicContact CG-CE2 3.89Å
380	P	97.8	Very high	96.8	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	115.7	170.4	24.7	-18.5	0	0	0	110	M367 A370 A371 H413 Y414	M367-P380 HydrophobicContact CB-CB 4.23Å; M367-P380 HydrophobicContact CE-CB 3.73Å; M367-P380 VanDerWaalsContact O-CB 3.3Å; M367-P380 WeakPolarHBondContact O-CB 3.39Å; M367-P380 HydrophobicContact SD-CB 3.57Å; M367-P380 VanDerWaalsContact SD-CB 3.57Å; A370-P380 HydrophobicContact CB-CB 4.04Å; A370-P380 HydrophobicContact CB-CG 4.38Å; A371-P380 HydrophobicContact CB-CG 3.92Å; P380-H413 HydrophobicContact CG-CB 3.76Å; P380-Y414 PolarHBondContact O-N 3.36Å; P380-Y414 VanDerWaalsContact O-N 3.14Å
381	I	98.1	Very high	96.6	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	124.9	-168.8	-57.6	169.6	0	0	0	109.6	I233 L237 C339 A340 I341 N342 K379 Y414 V416	I233-I381 HydrophobicContact CD1-CG2 4.11Å; I233-I381 HydrophobicContact CG1-CG2 4.29Å; I233-I381 HydrophobicContact CG2-CD1 4.11Å; L237-I381 HydrophobicContact CB-CD1 3.81Å; L237-I381 HydrophobicContact CD1-CD1 3.6Å; L237-I381 HydrophobicContact CD1-CG1 3.98Å; L237-I381 HydrophobicContact CD1-CG2 4.38Å; L237-I381 HydrophobicContact CG-CD1 4.34Å; C339-I381 WeakPolarHBondContact SG-CD1 3.17Å; A340-I381 WeakPolarHBondContact O-CA 3.26Å; A340-I381 PolarHBondContact O-N 2.84Å; I341-I381 HydrophobicContact CG1-CB 4.49Å; I341-I381 HydrophobicContact CG1-CD1 4.07Å; N342-I381 PolarHBondContact N-O 3.14Å; K379-I381 HydrophobicContact CB-CD1 4.27Å; K379-I381 HydrophobicContact CB-CG1 4.26Å; I381-Y414 HydrophobicContact CG1-CD2 4.45Å; I381-Y414 HydrophobicContact CG1-CG 4.43Å; I381-V416 HydrophobicContact CG2-CG2 3.81Å
382	M	96.6	Very high	96.5	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	121.5	166.5	-168.9	57.4	51.9	0	0	109.4	N342 G344 V347 I353 Q363 M367 Y414 I415 V416	N342-M382 HydrophobicContact CB-CE 3.91Å; N342-M382 HydrophobicContact CB-SD 4.42Å; N342-M382 CarbonylContact O-C 3.37Å; N342-M382 WeakPolarHBondContact O-CA 3.45Å; G344-M382 PolarHBondContact N-SD 3.2Å; V347-M382 HydrophobicContact CG2-CG 4.5Å; I353-M382 HydrophobicContact CD1-CB 3.82Å; I353-M382 HydrophobicContact CD1-CE 3.76Å; I353-M382 HydrophobicContact CD1-CG 3.74Å; I353-M382 HydrophobicContact CD1-SD 4.43Å; I353-M382 HydrophobicContact CG1-CG 4.24Å; I353-M382 HydrophobicContact CG2-CE 3.97Å; I353-M382 HydrophobicContact CG2-CG 3.91Å; I353-M382 HydrophobicContact CG2-SD 3.86Å; Q363-M382 HydrophobicContact CG-CE 3.99Å; M367-M382 HydrophobicContact CE-CE 4.29Å; M367-M382 HydrophobicContact SD-CE 4.42Å; M382-Y414 PolarHBondContact N-O 3.09Å; M382-I415 HydrophobicContact CB-CD1 3.61Å; M382-I415 HydrophobicContact CG-CD1 4.28Å; M382-I415 CarbonylContact O-C 3.55Å; M382-I415 VanDerWaalsContact O-CA 3.28Å; M382-I415 WeakPolarHBondContact O-CA 3.34Å; M382-V416 PolarHBondContact O-N 3.35Å
383	A	96.8	Very high	96.5	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	126.9	-174.4	0	0	0	0	0	110.8	I229 I233 I251 N342 S343 V416	I229-A383 HydrophobicContact CG2-CB 3.85Å; I233-A383 HydrophobicContact CD1-CB 3.73Å; I251-A383 HydrophobicContact CD1-CB 4.38Å; I251-A383 WeakPolarHBondContact CD1-O 3.28Å; I251-A383 HydrophobicContact CG2-CB 3.71Å; N342-A383 PolarHBondContact O-N 2.75Å; S343-A383 VanDerWaalsContact CA-O 3.28Å; S343-A383 WeakPolarHBondContact CA-O 3.44Å; S343-A383 VanDerWaalsContact CB-O 3.3Å; S343-A383 WeakPolarHBondContact CB-O 3.37Å; S343-A383 PolarHBondContact OG-O 3.47Å; A383-V416 WeakPolarHBondContact CA-O 3.45Å; A383-V416 HydrophobicContact CB-CB 4.47Å
384	L	96.4	Very high	96.5	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.005	28%	0.281	C	S	.	.			trans	-156.7	147.1	-179.6	67.6	175.5	0	0	0	110	V347 K394 I415 V416 T417	V347-L384 HydrophobicContact CG2-CD1 3.88Å; V347-L384 HydrophobicContact CG2-CD2 4Å; L384-K394 HydrophobicContact CD1-CB 3.94Å; L384-K394 HydrophobicContact CD1-CD 4.45Å; L384-I415 HydrophobicContact CD2-CG2 3.89Å; L384-V416 PolarHBondContact N-O 3.47Å; L384-V416 VanDerWaalsContact O-O 3.13Å; L384-T417 VanDerWaalsContact O-CA 3.28Å; L384-T417 WeakPolarHBondContact O-CA 3.36Å; L384-T417 WeakPolarHBondContact O-CG2 3.26Å
385	P	97.2	Very high	96.5	Very high	22 Å²	22	46.1 Å²	46.1	14%	0.143	25%	0.252	C	S	.	.			trans	-57.5	153	169.2	-22.1	34.6	0	0	0	110.8	A225 I229 V387 K394 E418	A225-P385 HydrophobicContact CB-CB 4.43Å; I229-P385 HydrophobicContact CD1-CG 4.33Å; P385-V387 VanDerWaalsContact C-N 3.27Å; P385-V387 PolarHBondContact O-N 3.29Å; P385-K394 HydrophobicContact CB-CD 4.46Å; P385-K394 VanDerWaalsContact O-CB 3.31Å; P385-K394 WeakPolarHBondContact O-CB 3.47Å; P385-K394 WeakPolarHBondContact O-CD 3.26Å; P385-E418 WeakPolarHBondContact CA-OE2 3.45Å
386	S	97.9	Very high	96.6	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.241	C	C	.	.	S	Bend	trans	-73.4	-20.7	179.3	75.9	0	0	0	0	113.3	K394 E418 H441	S386-K394 PolarHBondContact O-N 3.2Å; S386-E418 WeakPolarHBondContact CB-OE1 3.39Å; S386-E418 PolarHBondContact N-OE2 2.98Å; S386-E418 PolarHBondContact OG-OE1 3.39Å; S386-H441 VanDerWaalsContact OG-CB 3.31Å; S386-H441 WeakPolarHBondContact OG-CB 3.3Å
387	V	97.6	Very high	96.5	Very high	27 Å²	27	41.5 Å²	41.5	16%	0.164	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-136	161.7	177.3	-72.1	0	0	0	0	113.2	P385 E392 H441 H444	P385-V387 VanDerWaalsContact C-N 3.27Å; P385-V387 PolarHBondContact O-N 3.29Å; V387-E392 CarbonylContact C-O 3.45Å; V387-E392 WeakPolarHBondContact CA-O 3.49Å; V387-H441 HydrophobicContact CG1-CB 3.62Å; V387-H444 WeakPolarHBondContact CG1-NE2 3.36Å
388	T	94.4	Very high	96.4	Very high	43 Å²	43	40.6 Å²	40.6	26%	0.264	22%	0.218	S	C	.	.			trans	-82.7	171.1	166.1	72.4	0	0	0	0	111.5	K390 N391 E392 K394	T388-K390 PolarHBondContact O-N 3.36Å; T388-K390 PolarHBondContact OG1-N 3.06Å; T388-N391 PolarHBondContact O-N 3Å; T388-E392 HydrophobicContact CG2-CB 4.1Å; T388-E392 PolarHBondContact N-O 2.87Å; T388-E392 WeakPolarHBondContact OG1-CB 3.47Å; T388-E392 PolarHBondContact OG1-N 2.86Å; T388-K394 HydrophobicContact CG2-CG 4.19Å
389	N	89.8	Confident	96.2	Very high	180 Å²	180	41.2 Å²	41.2	96%	0.963	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-14.4	172.7	-62.9	-5.8	0	0	0	113.8
390	K	93.6	Very high	95.8	Very high	175 Å²	175	45.6 Å²	45.6	76%	0.761	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.1	12.8	175.5	-63.3	-175.9	179.4	-179.4	0	112.8	T388 E392	T388-K390 PolarHBondContact O-N 3.36Å; T388-K390 PolarHBondContact OG1-N 3.06Å; K390-E392 HydrophobicContact CB-CG 4.49Å; K390-E392 PolarHBondContact O-N 3.26Å
391	N	93.6	Very high	95.5	Very high	80 Å²	80	52.1 Å²	52.1	43%	0.428	28%	0.284	S	S	.	.	S	Bend	trans	58.6	31.1	-174.8	-152.7	40.4	0	0	0	113.7	T388 H444	T388-N391 PolarHBondContact O-N 3Å; N391-H444 PolarHBondContact O-CE1 2.8Å; N391-H444 PolarHBondContact O-NE2 3.31Å; N391-H444 VanDerWaalsContact O-NE2 3.13Å
392	E	95.8	Very high	94.9	Very high	87 Å²	87	56 Å²	56	41%	0.407	32%	0.324	S	S	.	.			trans	-86.8	132.8	168.9	-64.5	179.1	-164.6	0	0	109.5	V387 T388 K390 K400	V387-E392 CarbonylContact C-O 3.45Å; V387-E392 WeakPolarHBondContact CA-O 3.49Å; T388-E392 HydrophobicContact CG2-CB 4.1Å; T388-E392 PolarHBondContact N-O 2.87Å; T388-E392 WeakPolarHBondContact OG1-CB 3.47Å; T388-E392 PolarHBondContact OG1-N 2.86Å; K390-E392 HydrophobicContact CB-CG 4.49Å; K390-E392 PolarHBondContact O-N 3.26Å; E392-K400 IonicContact OE2-NZ 3.32Å; E392-K400 PolarHBondContact OE2-NZ 2.79Å
393	S	97.7	Very high	94.4	Very high	24 Å²	24	57.8 Å²	57.8	17%	0.168	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-62.3	138	177	-157.8	0	0	0	0	112.7	I395 H444	S393-I395 WeakPolarHBondContact CB-O 3.39Å; S393-I395 PolarHBondContact OG-N 3.36Å; S393-I395 PolarHBondContact OG-O 2.86Å; S393-H444 WeakPolarHBondContact CB-CD2 3.15Å; S393-H444 PolarHBondContact N-NE2 3.41Å
394	K	97.2	Very high	93.9	Very high	45 Å²	45	58.7 Å²	58.7	20%	0.196	35%	0.348	C	S	.	.	S	Bend	trans	-94.8	-10.8	170.2	-74.9	-178.2	159.7	-173.2	0	113.2	E346 V347 L384 P385 S386 T388	E346-K394 CarbonylContact C-O 3.54Å; E346-K394 WeakPolarHBondContact CA-O 3.22Å; E346-K394 WeakPolarHBondContact CB-O 3.48Å; V347-K394 PolarHBondContact N-O 2.86Å; L384-K394 HydrophobicContact CD1-CB 3.94Å; L384-K394 HydrophobicContact CD1-CD 4.45Å; P385-K394 HydrophobicContact CB-CD 4.46Å; P385-K394 VanDerWaalsContact O-CB 3.31Å; P385-K394 WeakPolarHBondContact O-CB 3.47Å; P385-K394 WeakPolarHBondContact O-CD 3.26Å; S386-K394 PolarHBondContact O-N 3.2Å; T388-K394 HydrophobicContact CG2-CG 4.19Å
395	I	98.3	Very high	93.7	Very high	0 Å²	0	61 Å²	61	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	112.5	163.8	-61.8	-176.5	0	0	0	106.7	V347 S393 T417 L436 I439 A440 L448	V347-I395 CarbonylContact O-C 3.6Å; V347-I395 VanDerWaalsContact O-CA 3.3Å; V347-I395 WeakPolarHBondContact O-CA 3.34Å; S393-I395 WeakPolarHBondContact CB-O 3.39Å; S393-I395 PolarHBondContact OG-N 3.36Å; S393-I395 PolarHBondContact OG-O 2.86Å; I395-T417 HydrophobicContact CD1-CG2 4.15Å; I395-L436 HydrophobicContact CD1-CD2 4.41Å; I395-L436 VanDerWaalsContact CD1-O 3.27Å; I395-L436 WeakPolarHBondContact CD1-O 3.25Å; I395-L436 HydrophobicContact CG2-CB 4.19Å; I395-I439 HydrophobicContact CD1-CD1 4.12Å; I395-I439 HydrophobicContact CD1-CG1 3.72Å; I395-A440 HydrophobicContact CB-CB 4.22Å; I395-A440 HydrophobicContact CD1-CB 4.1Å; I395-A440 HydrophobicContact CG2-CB 4.5Å; I395-L448 HydrophobicContact CB-CD1 4.27Å; I395-L448 HydrophobicContact CG2-CD1 3.9Å; I395-L448 WeakPolarHBondContact O-CD2 3.45Å
396	V	97.7	Very high	93.3	Very high	19 Å²	19	60.5 Å²	60.5	12%	0.115	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	151.2	-168.4	-61.5	0	0	0	0	111.6	E346 V347 D348 I349 V398	E346-V396 HydrophobicContact CB-CG1 4.28Å; E346-V396 HydrophobicContact CB-CG2 4.26Å; E346-V396 HydrophobicContact CG-CG2 4.32Å; V347-V396 PolarHBondContact O-N 3.02Å; D348-V396 CarbonylContact C-O 3.3Å; D348-V396 VanDerWaalsContact C-O 3.3Å; D348-V396 WeakPolarHBondContact CA-O 3.27Å; D348-V396 HydrophobicContact CB-CG2 4.21Å; I349-V396 PolarHBondContact N-O 2.88Å; V396-V398 VanDerWaalsContact C-N 3.34Å; V396-V398 WeakPolarHBondContact CG2-O 3.46Å
397	A	96	Very high	93	Very high	20 Å²	20	60.5 Å²	60.5	17%	0.165	36%	0.359	C	S	.	.	S	Bend	trans	-66.3	-38.7	176.7	0	0	0	0	0	112.6	I349 L448 A451 R455	I349-A397 VanDerWaalsContact CG2-O 3.25Å; I349-A397 WeakPolarHBondContact CG2-O 3.18Å; A397-L448 HydrophobicContact CB-CD2 4.46Å; A397-A451 HydrophobicContact CB-CB 3.47Å; A397-A451 VanDerWaalsContact CB-CB 3.47Å; A397-R455 PolarHBondContact O-NH1 2.8Å
398	V	95	Very high	92.8	Very high	89 Å²	89	61.1 Å²	61.1	54%	0.539	36%	0.364	S	S	.	.	S	Bend	trans	-144.7	142.4	178.1	-176.4	0	0	0	0	107	V396	V396-V398 VanDerWaalsContact C-N 3.34Å; V396-V398 WeakPolarHBondContact CG2-O 3.46Å
399	P	93.4	Very high	92.8	Very high	28 Å²	28	63.2 Å²	63.2	18%	0.182	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-53.4	149.3	172.6	-27.6	36.8	0	0	0	112.7	E346 D348 V354 A403 V405	E346-P399 VanDerWaalsContact OE1-CA 3.23Å; E346-P399 WeakPolarHBondContact OE1-CA 3.35Å; D348-P399 HydrophobicContact CB-CG 3.9Å; V354-P399 HydrophobicContact CG2-CB 3.94Å; V354-P399 HydrophobicContact CG2-CG 4.21Å; P399-A403 HydrophobicContact CB-CB 4.15Å; P399-V405 HydrophobicContact CG-CG2 4.5Å
400	K	91.2	Very high	93	Very high	118 Å²	118	58.2 Å²	58.2	51%	0.513	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-56.9	146.7	174.4	-68.8	177.7	-177.2	-173	0	110.3	E346 E392 G402 A403	E346-K400 PolarHBondContact OE1-N 2.87Å; E392-K400 IonicContact OE2-NZ 3.32Å; E392-K400 PolarHBondContact OE2-NZ 2.79Å; K400-G402 PolarHBondContact O-N 3.27Å; K400-A403 HydrophobicContact CB-CB 4.33Å; K400-A403 WeakPolarHBondContact O-CB 3.42Å; K400-A403 PolarHBondContact O-N 3.42Å
401	S	90.4	Very high	93	Very high	136 Å²	136	52.4 Å²	52.4	95%	0.951	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	126.8	178.8	-176.5	0	0	0	0	110.7	A403	S401-A403 VanDerWaalsContact C-N 3.33Å
402	G	85.7	Confident	93.1	Very high	82 Å²	82	48.6 Å²	48.6	85%	0.845	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.2	-0.8	-175.9	0	0	0	0	0	115.1	K400	K400-G402 PolarHBondContact O-N 3.27Å
403	A	87.1	Confident	93.2	Very high	37 Å²	37	45.1 Å²	45.1	31%	0.306	29%	0.29	S	S	.	.			trans	-70.3	131.9	175.9	0	0	0	0	0	111.9	V354 P399 K400 S401	V354-A403 HydrophobicContact CG1-CB 3.82Å; V354-A403 HydrophobicContact CG2-CB 4.22Å; P399-A403 HydrophobicContact CB-CB 4.15Å; K400-A403 HydrophobicContact CB-CB 4.33Å; K400-A403 WeakPolarHBondContact O-CB 3.42Å; K400-A403 PolarHBondContact O-N 3.42Å; S401-A403 VanDerWaalsContact C-N 3.33Å
404	G	86.7	Confident	93.2	Very high	19 Å²	19	46.1 Å²	46.1	20%	0.196	29%	0.29	C	S	.	.			trans	-86.1	124.1	175.8	0	0	0	0	0	112.7	V354 D356 V406	V354-G404 WeakPolarHBondContact CA-O 3.5Å; D356-G404 WeakPolarHBondContact CB-O 3.45Å; G404-V406 PolarHBondContact O-N 2.77Å
405	V	91.1	Very high	93.3	Very high	50 Å²	50	44 Å²	44	30%	0.303	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	114.9	169.3	175.5	0	0	0	0	108.5	Q352 V354 P399	Q352-V405 HydrophobicContact CB-CG1 3.93Å; Q352-V405 HydrophobicContact CB-CG2 4.08Å; Q352-V405 HydrophobicContact CG-CG1 4.35Å; V354-V405 HydrophobicContact CG2-CG2 4.36Å; P399-V405 HydrophobicContact CG-CG2 4.5Å
406	V	89.2	Confident	93.3	Very high	11 Å²	11	44 Å²	44	7%	0.067	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	-49.1	178.2	176.4	0	0	0	0	109.6	I353 A355 D356 F360 V364 G404	I353-V406 PolarHBondContact O-N 3.29Å; I353-V406 VanDerWaalsContact O-N 3.13Å; A355-V406 HydrophobicContact CB-CB 4.09Å; A355-V406 HydrophobicContact CB-CG2 4.01Å; D356-V406 HydrophobicContact CB-CG2 3.91Å; F360-V406 HydrophobicContact CD1-CG1 3.99Å; F360-V406 HydrophobicContact CD2-CG2 4.37Å; F360-V406 HydrophobicContact CE1-CG1 4.38Å; F360-V406 HydrophobicContact CE2-CG2 4.31Å; F360-V406 HydrophobicContact CG-CG1 4.28Å; F360-V406 HydrophobicContact CZ-CG2 4.39Å; V364-V406 HydrophobicContact CG2-CG1 3.87Å; G404-V406 PolarHBondContact O-N 2.77Å
407	T	92.2	Very high	93.3	Very high	0 Å²	0	43 Å²	43	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	109	178.3	-60.6	0	0	0	0	109.4	I353 Q363 M367 H411	I353-T407 HydrophobicContact CD1-CG2 3.81Å; I353-T407 PolarHBondContact N-O 2.93Å; I353-T407 PolarHBondContact O-N 2.89Å; Q363-T407 PolarHBondContact OE1-OG1 3.08Å; M367-T407 HydrophobicContact CE-CG2 4.49Å; T407-H411 HydrophobicContact CG2-CB 3.48Å; T407-H411 VanDerWaalsContact CG2-CB 3.48Å
408	S	93.6	Very high	93.4	Very high	40 Å²	40	43.8 Å²	43.8	28%	0.28	28%	0.275	S	S	.	.			trans	-60.9	158.8	-179.1	83.8	0	0	0	0	112.2	A410 H411 A412	S408-A410 PolarHBondContact O-N 3.02Å; S408-A410 VanDerWaalsContact O-N 3.1Å; S408-A410 PolarHBondContact OG-N 3.02Å; S408-H411 PolarHBondContact O-N 3.49Å; S408-H411 PolarHBondContact OG-ND1 3.13Å; S408-A412 PolarHBondContact O-N 3.44Å
409	R	94.1	Very high	93.6	Very high	87 Å²	87	43 Å²	43	33%	0.328	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-28.3	175.4	66	-179.4	75.1	99.8	2.4	113.4	T350 G351 Q352 H411 A412 R432	T350-R409 WeakPolarHBondContact O-CB 3.38Å; T350-R409 PolarHBondContact OG1-NE 2.88Å; G351-R409 WeakPolarHBondContact O-CA 3.44Å; Q352-R409 HydrophobicContact CG-CB 3.78Å; Q352-R409 HydrophobicContact CG-CG 4.31Å; R409-H411 VanDerWaalsContact C-N 3.29Å; R409-H411 PolarHBondContact O-N 2.9Å; R409-A412 PolarHBondContact O-N 3.43Å; R409-R432 PolarHBondContact O-NH1 2.77Å; R409-R432 VanDerWaalsContact O-NH1 3.09Å; R409-R432 PolarHBondContact O-NH2 3.44Å
410	A	92.8	Very high	93.9	Very high	75 Å²	75	42.3 Å²	42.3	62%	0.62	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-21.9	178.3	0	0	0	0	0	113.3	S408	S408-A410 PolarHBondContact O-N 3.02Å; S408-A410 VanDerWaalsContact O-N 3.1Å; S408-A410 PolarHBondContact OG-N 3.02Å
411	H	94.1	Very high	94.2	Very high	54 Å²	54	39 Å²	39	25%	0.25	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-22.7	176	-62.8	145.9	0	0	0	113	T407 S408 R409 H413	T407-H411 HydrophobicContact CG2-CB 3.48Å; T407-H411 VanDerWaalsContact CG2-CB 3.48Å; S408-H411 PolarHBondContact O-N 3.49Å; S408-H411 PolarHBondContact OG-ND1 3.13Å; R409-H411 VanDerWaalsContact C-N 3.29Å; R409-H411 PolarHBondContact O-N 2.9Å; H411-H413 PolarHBondContact O-CD2 2.86Å; H411-H413 PolarHBondContact O-N 3.14Å
412	A	94.8	Very high	94.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	21%	0.206	C	C	.	.			trans	-71.7	116.5	-176.4	0	0	0	0	0	111.8	G351 I353 S408 R409 I415 L424 R432	G351-A412 VanDerWaalsContact O-CB 3.24Å; G351-A412 WeakPolarHBondContact O-CB 3.11Å; I353-A412 HydrophobicContact CD1-CB 4.03Å; S408-A412 PolarHBondContact O-N 3.44Å; R409-A412 PolarHBondContact O-N 3.43Å; A412-I415 HydrophobicContact CB-CD1 4.29Å; A412-L424 HydrophobicContact CB-CD1 4.24Å; A412-R432 PolarHBondContact O-NH2 2.89Å
413	H	98	Very high	95.2	Very high	14 Å²	14	32.5 Å²	32.5	7%	0.065	18%	0.181	C	C	.	.			trans	-107	-71.2	172.3	-68.9	-154.2	0	0	0	110.6	P380 H411 Y423 L424 F425	P380-H413 HydrophobicContact CG-CB 3.76Å; H411-H413 PolarHBondContact O-CD2 2.86Å; H411-H413 PolarHBondContact O-N 3.14Å; H413-Y423 HydrophobicContact CB-CD2 4.49Å; H413-Y423 HydrophobicContact CB-CE2 4.14Å; H413-Y423 CarbonylContact O-C 3.29Å; H413-Y423 WeakPolarHBondContact O-CA 3.37Å; H413-L424 PolarHBondContact O-N 3.42Å; H413-F425 HydrophobicContact CB-CB 4.39Å; H413-F425 AromaticContact CD2-CD2 3.83Å; H413-F425 AromaticContact CE1-CD2 3.57Å; H413-F425 AromaticContact CE1-CG 3.7Å; H413-F425 AromaticContact NE2-CD2 3.2Å; H413-F425 WeakPolarHBondContact NE2-CD2 3.3Å; H413-F425 AromaticContact NE2-CE2 3.8Å; H413-F425 AromaticContact NE2-CG 3.72Å
414	Y	98.6	Very high	95.7	Very high	44 Å²	44	30.7 Å²	30.7	17%	0.173	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	126.9	-179.5	-63.5	-89.4	0	0	0	110.3	L237 K379 P380 I381 M382 I421 A422 Y423	L237-Y414 HydrophobicContact CD1-CD1 4.23Å; L237-Y414 HydrophobicContact CD1-CG 4.42Å; L237-Y414 HydrophobicContact CD2-CD1 3.77Å; L237-Y414 HydrophobicContact CD2-CE1 3.67Å; K379-Y414 HydrophobicContact CB-CD2 4.26Å; K379-Y414 HydrophobicContact CB-CE2 4.04Å; K379-Y414 HydrophobicContact CG-CE2 3.89Å; P380-Y414 PolarHBondContact O-N 3.36Å; P380-Y414 VanDerWaalsContact O-N 3.14Å; I381-Y414 HydrophobicContact CG1-CD2 4.45Å; I381-Y414 HydrophobicContact CG1-CG 4.43Å; M382-Y414 PolarHBondContact N-O 3.09Å; Y414-I421 HydrophobicContact CD1-CG2 3.97Å; Y414-A422 CarbonylContact C-O 3.54Å; Y414-A422 WeakPolarHBondContact CA-O 3.46Å; Y414-Y423 AromaticContact CD1-CD2 3.73Å; Y414-Y423 HydrophobicContact CD1-CD2 3.73Å; Y414-Y423 HydrophobicContact CD2-CD2 4.09Å; Y414-Y423 HydrophobicContact CD2-CE2 4.24Å; Y414-Y423 AromaticContact CE1-CD2 3.38Å; Y414-Y423 HydrophobicContact CE1-CD2 3.38Å; Y414-Y423 AromaticContact CE1-CE2 3.99Å; Y414-Y423 HydrophobicContact CE1-CE2 3.99Å; Y414-Y423 HydrophobicContact CE1-CG 4.19Å; Y414-Y423 AromaticContact CE2-CD2 3.76Å; Y414-Y423 HydrophobicContact CE2-CD2 3.76Å; Y414-Y423 AromaticContact CE2-CE2 3.62Å; Y414-Y423 HydrophobicContact CE2-CE2 3.62Å; Y414-Y423 HydrophobicContact CG-CD2 4.07Å; Y414-Y423 AromaticContact CZ-CD2 3.39Å; Y414-Y423 AromaticContact CZ-CE2 3.47Å; Y414-Y423 VanDerWaalsContact CZ-CE2 3.47Å
415	I	98.6	Very high	96.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	129.7	167.1	-49.3	-60.3	0	0	0	107.4	V347 I353 M382 L384 A412 A422 L424 L436 I439	V347-I415 HydrophobicContact CG1-CD1 4.35Å; V347-I415 HydrophobicContact CG1-CG1 4.48Å; V347-I415 HydrophobicContact CG2-CD1 4.43Å; V347-I415 HydrophobicContact CG2-CG2 4.26Å; I353-I415 HydrophobicContact CD1-CD1 4.02Å; I353-I415 HydrophobicContact CG1-CD1 4.37Å; M382-I415 HydrophobicContact CB-CD1 3.61Å; M382-I415 HydrophobicContact CG-CD1 4.28Å; M382-I415 CarbonylContact O-C 3.55Å; M382-I415 VanDerWaalsContact O-CA 3.28Å; M382-I415 WeakPolarHBondContact O-CA 3.34Å; L384-I415 HydrophobicContact CD2-CG2 3.89Å; A412-I415 HydrophobicContact CB-CD1 4.29Å; I415-A422 HydrophobicContact CB-CB 4.37Å; I415-A422 PolarHBondContact N-O 3.3Å; I415-A422 PolarHBondContact O-N 3.44Å; I415-L424 HydrophobicContact CD1-CD1 4.34Å; I415-L424 HydrophobicContact CG1-CD1 3.63Å; I415-L424 HydrophobicContact CG1-CG 4.3Å; I415-L436 HydrophobicContact CB-CD2 4.23Å; I415-L436 HydrophobicContact CG1-CD2 3.99Å; I415-L436 HydrophobicContact CG2-CD2 4.26Å; I415-I439 HydrophobicContact CB-CD1 3.92Å; I415-I439 HydrophobicContact CG2-CD1 3.76Å; I415-I439 WeakPolarHBondContact O-CD1 3.46Å
416	V	98.7	Very high	96.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	126.7	-178	-171	0	0	0	0	109.8	I229 L232 I233 L237 I381 M382 A383 L384 I421	I229-V416 HydrophobicContact CG2-CG1 4.15Å; L232-V416 HydrophobicContact CB-CG1 4.13Å; L232-V416 HydrophobicContact CD1-CG1 4.3Å; I233-V416 HydrophobicContact CD1-CB 4.43Å; I233-V416 HydrophobicContact CD1-CG1 4.46Å; I233-V416 HydrophobicContact CG1-CB 4.26Å; I233-V416 HydrophobicContact CG1-CG1 4.04Å; I233-V416 HydrophobicContact CG1-CG2 4.06Å; L237-V416 HydrophobicContact CD1-CG2 3.95Å; I381-V416 HydrophobicContact CG2-CG2 3.81Å; M382-V416 PolarHBondContact O-N 3.35Å; A383-V416 WeakPolarHBondContact CA-O 3.45Å; A383-V416 HydrophobicContact CB-CB 4.47Å; L384-V416 PolarHBondContact N-O 3.47Å; L384-V416 VanDerWaalsContact O-O 3.13Å; V416-I421 HydrophobicContact CG1-CG1 4.08Å; V416-I421 HydrophobicContact CG2-CG1 4.08Å; V416-I421 HydrophobicContact CG2-CG2 4.21Å
417	T	98.7	Very high	96.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	175	166.7	68.5	0	0	0	0	108.6	I229 L232 L384 I395 Q419 G420 I439	I229-T417 VanDerWaalsContact CG1-C 3.45Å; L232-T417 VanDerWaalsContact CD1-O 3.23Å; L232-T417 WeakPolarHBondContact CD1-O 3.43Å; L384-T417 VanDerWaalsContact O-CA 3.28Å; L384-T417 WeakPolarHBondContact O-CA 3.36Å; L384-T417 WeakPolarHBondContact O-CG2 3.26Å; I395-T417 HydrophobicContact CD1-CG2 4.15Å; T417-Q419 PolarHBondContact O-N 3.28Å; T417-Q419 VanDerWaalsContact O-N 3.09Å; T417-Q419 WeakPolarHBondContact OG1-CB 3.42Å; T417-Q419 PolarHBondContact OG1-N 3.01Å; T417-Q419 VanDerWaalsContact OG1-N 3.14Å; T417-G420 PolarHBondContact N-O 3.48Å; T417-G420 VanDerWaalsContact N-O 3.07Å; T417-G420 PolarHBondContact O-N 3.14Å; T417-G420 VanDerWaalsContact O-N 3.14Å; T417-G420 VanDerWaalsContact O-O 3.12Å; T417-I439 WeakPolarHBondContact CB-O 3.49Å; T417-I439 HydrophobicContact CG2-CD1 4.1Å; T417-I439 HydrophobicContact CG2-CG1 4.43Å; T417-I439 WeakPolarHBondContact CG2-O 3.47Å; T417-I439 PolarHBondContact OG1-O 2.95Å
418	E	98.2	Very high	97	Very high	35 Å²	35	42.1 Å²	42.1	16%	0.164	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-9.8	173.1	77.7	-64.9	159.8	0	0	113.1	A225 T228 I229 P385 S386	A225-E418 HydrophobicContact CB-CB 4.11Å; A225-E418 HydrophobicContact CB-CG 4.04Å; T228-E418 HydrophobicContact CG2-CB 3.99Å; T228-E418 WeakPolarHBondContact CG2-O 3.32Å; I229-E418 HydrophobicContact CG1-CB 4.14Å; I229-E418 VanDerWaalsContact CG1-N 3.31Å; P385-E418 WeakPolarHBondContact CA-OE2 3.45Å; S386-E418 WeakPolarHBondContact CB-OE1 3.39Å; S386-E418 PolarHBondContact N-OE2 2.98Å; S386-E418 PolarHBondContact OG-OE1 3.39Å
419	Q	98.5	Very high	97.2	Very high	72 Å²	72	43.2 Å²	43.2	34%	0.336	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-11.7	176.9	-52.4	-62.6	-39.9	0	0	113.2	T417 I439	T417-Q419 PolarHBondContact O-N 3.28Å; T417-Q419 VanDerWaalsContact O-N 3.09Å; T417-Q419 WeakPolarHBondContact OG1-CB 3.42Å; T417-Q419 PolarHBondContact OG1-N 3.01Å; T417-Q419 VanDerWaalsContact OG1-N 3.14Å; Q419-I439 WeakPolarHBondContact CB-O 3.44Å
420	G	98.6	Very high	97.4	Very high	14 Å²	14	43.9 Å²	43.9	14%	0.144	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	142.2	-163.4	178.1	0	0	0	0	0	114.4	T417 I439	T417-G420 PolarHBondContact N-O 3.48Å; T417-G420 VanDerWaalsContact N-O 3.07Å; T417-G420 PolarHBondContact O-N 3.14Å; T417-G420 VanDerWaalsContact O-N 3.14Å; T417-G420 VanDerWaalsContact O-O 3.12Å; G420-I439 VanDerWaalsContact C-CG2 3.48Å
421	I	98.8	Very high	97.7	Very high	48 Å²	48	41.9 Å²	41.9	25%	0.246	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	123.9	-173.9	-56.3	170.7	0	0	0	109.5	L232 N236 L237 Y414 V416	L232-I421 HydrophobicContact CB-CD1 4.38Å; L232-I421 HydrophobicContact CB-CG1 4.43Å; N236-I421 HydrophobicContact CB-CD1 3.71Å; L237-I421 HydrophobicContact CD1-CD1 4.17Å; L237-I421 HydrophobicContact CD1-CG2 4.27Å; L237-I421 HydrophobicContact CD2-CD1 4.37Å; L237-I421 HydrophobicContact CD2-CG2 4.47Å; L237-I421 HydrophobicContact CG-CD1 4.08Å; Y414-I421 HydrophobicContact CD1-CG2 3.97Å; V416-I421 HydrophobicContact CG1-CG1 4.08Å; V416-I421 HydrophobicContact CG2-CG1 4.08Å; V416-I421 HydrophobicContact CG2-CG2 4.21Å
422	A	98.7	Very high	97.9	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	128.8	170.5	0	0	0	0	0	110.2	Y414 I415 L424 E435 I439	Y414-A422 CarbonylContact C-O 3.54Å; Y414-A422 WeakPolarHBondContact CA-O 3.46Å; I415-A422 HydrophobicContact CB-CB 4.37Å; I415-A422 PolarHBondContact N-O 3.3Å; I415-A422 PolarHBondContact O-N 3.44Å; A422-L424 HydrophobicContact CB-CD2 4.28Å; A422-E435 HydrophobicContact CB-CB 3.8Å; A422-I439 HydrophobicContact CB-CD1 3.45Å; A422-I439 VanDerWaalsContact CB-CD1 3.45Å; A422-I439 HydrophobicContact CB-CG1 3.92Å; A422-I439 HydrophobicContact CB-CG2 4.24Å
423	Y	98.3	Very high	98	Very high	82 Å²	82	39.9 Å²	39.9	32%	0.322	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	127.5	171	-176.8	-109.4	0	0	0	110.3	H413 Y414 F425 K427	H413-Y423 HydrophobicContact CB-CD2 4.49Å; H413-Y423 HydrophobicContact CB-CE2 4.14Å; H413-Y423 CarbonylContact O-C 3.29Å; H413-Y423 WeakPolarHBondContact O-CA 3.37Å; Y414-Y423 AromaticContact CD1-CD2 3.73Å; Y414-Y423 HydrophobicContact CD1-CD2 3.73Å; Y414-Y423 HydrophobicContact CD2-CD2 4.09Å; Y414-Y423 HydrophobicContact CD2-CE2 4.24Å; Y414-Y423 AromaticContact CE1-CD2 3.38Å; Y414-Y423 HydrophobicContact CE1-CD2 3.38Å; Y414-Y423 AromaticContact CE1-CE2 3.99Å; Y414-Y423 HydrophobicContact CE1-CE2 3.99Å; Y414-Y423 HydrophobicContact CE1-CG 4.19Å; Y414-Y423 AromaticContact CE2-CD2 3.76Å; Y414-Y423 HydrophobicContact CE2-CD2 3.76Å; Y414-Y423 AromaticContact CE2-CE2 3.62Å; Y414-Y423 HydrophobicContact CE2-CE2 3.62Å; Y414-Y423 HydrophobicContact CG-CD2 4.07Å; Y414-Y423 AromaticContact CZ-CD2 3.39Å; Y414-Y423 AromaticContact CZ-CE2 3.47Å; Y414-Y423 VanDerWaalsContact CZ-CE2 3.47Å; Y423-F425 HydrophobicContact CE1-CB 4.07Å; Y423-F425 HydrophobicContact CE2-CB 4.1Å; Y423-K427 WeakPolarHBondContact O-CD 3.38Å; Y423-K427 WeakPolarHBondContact O-CE 3.23Å; Y423-K427 PolarHBondContact O-NZ 3Å
424	L	98.4	Very high	98.1	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.212	C	C	.	.			trans	-121.4	-8.4	-166.9	-53.9	-175.9	0	0	0	114.9	A412 H413 I415 A422 K427 R432 E435 L436	A412-L424 HydrophobicContact CB-CD1 4.24Å; H413-L424 PolarHBondContact O-N 3.42Å; I415-L424 HydrophobicContact CD1-CD1 4.34Å; I415-L424 HydrophobicContact CG1-CD1 3.63Å; I415-L424 HydrophobicContact CG1-CG 4.3Å; A422-L424 HydrophobicContact CB-CD2 4.28Å; L424-K427 PolarHBondContact O-N 2.96Å; L424-R432 HydrophobicContact CB-CG 4.25Å; L424-R432 VanDerWaalsContact CB-NH2 3.34Å; L424-R432 HydrophobicContact CD2-CB 4.25Å; L424-R432 HydrophobicContact CD2-CG 4.15Å; L424-R432 PolarHBondContact O-NE 3.42Å; L424-R432 PolarHBondContact O-NH2 2.99Å; L424-R432 VanDerWaalsContact O-NH2 3.09Å; L424-E435 HydrophobicContact CD2-CB 4.07Å; L424-L436 HydrophobicContact CD1-CD1 4.31Å; L424-L436 HydrophobicContact CD1-CD2 4.14Å; L424-L436 HydrophobicContact CD1-CG 4.3Å; L424-L436 HydrophobicContact CD2-CD2 4.49Å; L424-L436 HydrophobicContact CD2-CG 4.09Å
425	F	96.7	Very high	98.1	Very high	115 Å²	115	41.1 Å²	41.1	50%	0.504	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	137.6	178.8	-177.5	-108.2	0	0	0	110.4	H413 Y423 K427	H413-F425 HydrophobicContact CB-CB 4.39Å; H413-F425 AromaticContact CD2-CD2 3.83Å; H413-F425 AromaticContact CE1-CD2 3.57Å; H413-F425 AromaticContact CE1-CG 3.7Å; H413-F425 AromaticContact NE2-CD2 3.2Å; H413-F425 WeakPolarHBondContact NE2-CD2 3.3Å; H413-F425 AromaticContact NE2-CE2 3.8Å; H413-F425 AromaticContact NE2-CG 3.72Å; Y423-F425 HydrophobicContact CE1-CB 4.07Å; Y423-F425 HydrophobicContact CE2-CB 4.1Å; F425-K427 PolarHBondContact O-N 2.85Å
426	G	95.4	Very high	98.1	Very high	77 Å²	77	41.1 Å²	41.1	79%	0.794	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.3	-1.9	-176.1	0	0	0	0	0	115.8
427	K	97.9	Very high	98.1	Very high	54 Å²	54	41.4 Å²	41.4	24%	0.235	21%	0.212	C	C	.	.			trans	-92.3	140.8	-177.6	-70.8	-174.9	-175.1	172.1	0	113.1	Y423 L424 F425 Q431 R432 E435	Y423-K427 WeakPolarHBondContact O-CD 3.38Å; Y423-K427 WeakPolarHBondContact O-CE 3.23Å; Y423-K427 PolarHBondContact O-NZ 3Å; L424-K427 PolarHBondContact O-N 2.96Å; F425-K427 PolarHBondContact O-N 2.85Å; K427-Q431 HydrophobicContact CB-CB 3.73Å; K427-Q431 HydrophobicContact CD-CB 4.07Å; K427-Q431 HydrophobicContact CG-CB 3.99Å; K427-R432 HydrophobicContact CB-CG 3.81Å; K427-E435 HydrophobicContact CD-CG 4.09Å; K427-E435 VanDerWaalsContact NZ-CD 3.29Å; K427-E435 IonicContact NZ-OE1 2.85Å; K427-E435 PolarHBondContact NZ-OE1 3.27Å
428	N	96.5	Very high	98	Very high	73 Å²	73	46.3 Å²	46.3	39%	0.39	23%	0.233	S	C	.	.			trans	-73.9	175.9	171.3	73.1	50.8	0	0	0	111.5	R430 Q431 R432	N428-R430 VanDerWaalsContact C-N 3.33Å; N428-R430 PolarHBondContact O-N 3.19Å; N428-R430 WeakPolarHBondContact OD1-CA 3.49Å; N428-R430 WeakPolarHBondContact OD1-CB 3.16Å; N428-R430 PolarHBondContact OD1-N 2.83Å; N428-Q431 PolarHBondContact ND2-OE1 2.83Å; N428-Q431 PolarHBondContact O-N 3.43Å; N428-Q431 PolarHBondContact OD1-N 2.86Å; N428-R432 WeakPolarHBondContact O-CB 3.3Å; N428-R432 VanDerWaalsContact O-CG 3.27Å; N428-R432 WeakPolarHBondContact O-CG 3.38Å; N428-R432 PolarHBondContact O-N 2.92Å
429	M	96.5	Very high	98.1	Very high	63 Å²	63	44.9 Å²	44.9	31%	0.31	23%	0.227	S	C	.	.	H	α-helix	trans	-62.6	-34.5	-176	-64.9	-60.5	119.6	0	0	113.9	T350 A433 F452 F456	T350-M429 HydrophobicContact CG2-SD 4.07Å; M429-A433 WeakPolarHBondContact O-CB 3.47Å; M429-A433 PolarHBondContact O-N 3.07Å; M429-F452 WeakPolarHBondContact O-CE2 3.28Å; M429-F456 HydrophobicContact CB-CE1 4.11Å; M429-F456 HydrophobicContact CB-CZ 4.48Å; M429-F456 HydrophobicContact CG-CE1 4.1Å; M429-F456 HydrophobicContact CG-CZ 4.5Å
430	R	98.2	Very high	98.1	Very high	102 Å²	102	41.5 Å²	41.5	39%	0.385	21%	0.211	S	C	.	.	H	α-helix	trans	-70.7	-43	178.8	-60.8	172.4	64.8	-156.6	-2.6	111.1	N428 A433 H434 F452 M459 T461	N428-R430 VanDerWaalsContact C-N 3.33Å; N428-R430 PolarHBondContact O-N 3.19Å; N428-R430 WeakPolarHBondContact OD1-CA 3.49Å; N428-R430 WeakPolarHBondContact OD1-CB 3.16Å; N428-R430 PolarHBondContact OD1-N 2.83Å; R430-A433 PolarHBondContact O-N 2.81Å; R430-H434 WeakPolarHBondContact O-CB 3.27Å; R430-H434 PolarHBondContact O-N 3.46Å; R430-F452 HydrophobicContact CB-CZ 4.3Å; R430-F452 HydrophobicContact CG-CE1 4.18Å; R430-F452 HydrophobicContact CG-CZ 3.94Å; R430-M459 PolarHBondContact NE-O 3.33Å; R430-M459 PolarHBondContact NH2-O 2.78Å; R430-T461 CarbonylContact C-O 3.52Å; R430-T461 HydrophobicContact CB-CG2 4.09Å; R430-T461 VanDerWaalsContact CZ-CG2 3.44Å; R430-T461 VanDerWaalsContact NH2-CG2 3.3Å; R430-T461 PolarHBondContact O-N 2.83Å
431	Q	98.5	Very high	98.1	Very high	33 Å²	33	42.7 Å²	42.7	15%	0.154	21%	0.212	C	C	.	.	H	α-helix	trans	-64.9	-42.4	175.7	-69.5	171.1	-22.9	0	0	112.1	K427 N428 H434 E435 T461 D463	K427-Q431 HydrophobicContact CB-CB 3.73Å; K427-Q431 HydrophobicContact CD-CB 4.07Å; K427-Q431 HydrophobicContact CG-CB 3.99Å; N428-Q431 PolarHBondContact ND2-OE1 2.83Å; N428-Q431 PolarHBondContact O-N 3.43Å; N428-Q431 PolarHBondContact OD1-N 2.86Å; Q431-H434 PolarHBondContact O-N 2.83Å; Q431-E435 WeakPolarHBondContact O-CG 3.43Å; Q431-E435 PolarHBondContact O-N 2.94Å; Q431-E435 VanDerWaalsContact O-N 3.14Å; Q431-T461 WeakPolarHBondContact CA-O 3.02Å; Q431-T461 PolarHBondContact N-O 3.19Å; Q431-D463 WeakPolarHBondContact CG-O 3.41Å; Q431-D463 PolarHBondContact NE2-O 3.28Å; Q431-D463 PolarHBondContact NE2-OXT 2.8Å; Q431-D463 VanDerWaalsContact NE2-OXT 3.12Å
432	R	98.4	Very high	98	Very high	12 Å²	12	43.5 Å²	43.5	5%	0.045	22%	0.221	C	C	.	.	H	α-helix	trans	-61.6	-48.5	174.9	-75.6	179.1	148	-109	-10.9	112.1	T350 R409 A412 L424 K427 N428 H434 E435 L436	T350-R432 WeakPolarHBondContact O-CD 3.41Å; T350-R432 PolarHBondContact O-NH1 3.48Å; R409-R432 PolarHBondContact O-NH1 2.77Å; R409-R432 VanDerWaalsContact O-NH1 3.09Å; R409-R432 PolarHBondContact O-NH2 3.44Å; A412-R432 PolarHBondContact O-NH2 2.89Å; L424-R432 HydrophobicContact CB-CG 4.25Å; L424-R432 VanDerWaalsContact CB-NH2 3.34Å; L424-R432 HydrophobicContact CD2-CB 4.25Å; L424-R432 HydrophobicContact CD2-CG 4.15Å; L424-R432 PolarHBondContact O-NE 3.42Å; L424-R432 PolarHBondContact O-NH2 2.99Å; L424-R432 VanDerWaalsContact O-NH2 3.09Å; K427-R432 HydrophobicContact CB-CG 3.81Å; N428-R432 WeakPolarHBondContact O-CB 3.3Å; N428-R432 VanDerWaalsContact O-CG 3.27Å; N428-R432 WeakPolarHBondContact O-CG 3.38Å; N428-R432 PolarHBondContact O-N 2.92Å; R432-H434 VanDerWaalsContact C-N 3.31Å; R432-H434 PolarHBondContact O-N 2.67Å; R432-E435 PolarHBondContact O-N 3.4Å; R432-L436 WeakPolarHBondContact O-CB 3.29Å; R432-L436 WeakPolarHBondContact O-CG 3.41Å; R432-L436 PolarHBondContact O-N 3.07Å
433	A	98.4	Very high	98	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-60.1	-43	178	0	0	0	0	0	111.4	I349 M429 R430 E435 L436 I437 F452 P460	I349-A433 HydrophobicContact CD1-CB 4.13Å; I349-A433 HydrophobicContact CG1-CB 3.82Å; M429-A433 WeakPolarHBondContact O-CB 3.47Å; M429-A433 PolarHBondContact O-N 3.07Å; R430-A433 PolarHBondContact O-N 2.81Å; A433-E435 PolarHBondContact O-N 3.18Å; A433-L436 PolarHBondContact O-N 3.04Å; A433-I437 HydrophobicContact CB-CD1 4.48Å; A433-I437 WeakPolarHBondContact O-CB 3.38Å; A433-I437 WeakPolarHBondContact O-CD1 3.48Å; A433-I437 WeakPolarHBondContact O-CG1 3.23Å; A433-I437 PolarHBondContact O-N 3.33Å; A433-F452 HydrophobicContact CB-CD2 3.29Å; A433-F452 HydrophobicContact CB-CE2 3.3Å; A433-F452 HydrophobicContact CB-CG 3.98Å; A433-F452 HydrophobicContact CB-CZ 4Å; A433-P460 HydrophobicContact CB-CB 3.98Å; A433-P460 HydrophobicContact CB-CG 4.12Å
434	H	98.5	Very high	98	Very high	54 Å²	54	46.4 Å²	46.4	25%	0.25	24%	0.241	C	C	.	.	H	α-helix	trans	-57.4	-47.4	177.6	178	76.1	0	0	0	112.2	R430 Q431 R432 K438 P460 T461	R430-H434 WeakPolarHBondContact O-CB 3.27Å; R430-H434 PolarHBondContact O-N 3.46Å; Q431-H434 PolarHBondContact O-N 2.83Å; R432-H434 VanDerWaalsContact C-N 3.31Å; R432-H434 PolarHBondContact O-N 2.67Å; H434-K438 WeakPolarHBondContact NE2-CD 3.37Å; H434-K438 WeakPolarHBondContact O-CG 3.44Å; H434-K438 PolarHBondContact O-N 3.32Å; H434-P460 HydrophobicContact CB-CB 4.03Å; H434-T461 WeakPolarHBondContact CB-O 3.28Å
435	E	98.7	Very high	98	Very high	30 Å²	30	50.1 Å²	50.1	14%	0.14	26%	0.255	C	S	.	.	H	α-helix	trans	-68.5	-40.5	178.8	-62.3	-68.6	-174	0	0	113.1	A422 L424 K427 Q431 R432 A433 I437 K438 I439	A422-E435 HydrophobicContact CB-CB 3.8Å; L424-E435 HydrophobicContact CD2-CB 4.07Å; K427-E435 HydrophobicContact CD-CG 4.09Å; K427-E435 VanDerWaalsContact NZ-CD 3.29Å; K427-E435 IonicContact NZ-OE1 2.85Å; K427-E435 PolarHBondContact NZ-OE1 3.27Å; Q431-E435 WeakPolarHBondContact O-CG 3.43Å; Q431-E435 PolarHBondContact O-N 2.94Å; Q431-E435 VanDerWaalsContact O-N 3.14Å; R432-E435 PolarHBondContact O-N 3.4Å; A433-E435 PolarHBondContact O-N 3.18Å; E435-I437 VanDerWaalsContact C-N 3.35Å; E435-K438 PolarHBondContact O-N 3.33Å; E435-K438 IonicContact OE2-NZ 3.88Å; E435-K438 PolarHBondContact OE2-NZ 3.1Å; E435-I439 PolarHBondContact O-N 3.45Å
436	L	98.8	Very high	98.1	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-64.8	-39.7	178.4	-74.3	169.1	0	0	0	111.7	V347 D348 I349 I395 I415 L424 R432 A433 I439 A440	V347-L436 HydrophobicContact CG1-CD2 4.05Å; D348-L436 WeakPolarHBondContact O-CD1 3.24Å; I349-L436 HydrophobicContact CD1-CB 4.34Å; I349-L436 WeakPolarHBondContact O-CD1 3.37Å; I395-L436 HydrophobicContact CD1-CD2 4.41Å; I395-L436 VanDerWaalsContact CD1-O 3.27Å; I395-L436 WeakPolarHBondContact CD1-O 3.25Å; I395-L436 HydrophobicContact CG2-CB 4.19Å; I415-L436 HydrophobicContact CB-CD2 4.23Å; I415-L436 HydrophobicContact CG1-CD2 3.99Å; I415-L436 HydrophobicContact CG2-CD2 4.26Å; L424-L436 HydrophobicContact CD1-CD1 4.31Å; L424-L436 HydrophobicContact CD1-CD2 4.14Å; L424-L436 HydrophobicContact CD1-CG 4.3Å; L424-L436 HydrophobicContact CD2-CD2 4.49Å; L424-L436 HydrophobicContact CD2-CG 4.09Å; R432-L436 WeakPolarHBondContact O-CB 3.29Å; R432-L436 WeakPolarHBondContact O-CG 3.41Å; R432-L436 PolarHBondContact O-N 3.07Å; A433-L436 PolarHBondContact O-N 3.04Å; L436-I439 CarbonylContact O-C 3.56Å; L436-I439 WeakPolarHBondContact O-CG1 3.2Å; L436-I439 PolarHBondContact O-N 3.25Å; L436-A440 PolarHBondContact O-N 3.21Å
437	I	98.6	Very high	98.2	Very high	6 Å²	6	54.6 Å²	54.6	3%	0.031	26%	0.257	C	S	.	.	H	α-helix	trans	-66.3	-39.1	178.2	-69.5	163.9	0	0	0	110.8	I349 A433 E435 I439 A440 R445 L448 E449 P460	I349-I437 HydrophobicContact CD1-CD1 4.01Å; I349-I437 HydrophobicContact CD1-CG1 3.72Å; A433-I437 HydrophobicContact CB-CD1 4.48Å; A433-I437 WeakPolarHBondContact O-CB 3.38Å; A433-I437 WeakPolarHBondContact O-CD1 3.48Å; A433-I437 WeakPolarHBondContact O-CG1 3.23Å; A433-I437 PolarHBondContact O-N 3.33Å; E435-I437 VanDerWaalsContact C-N 3.35Å; I437-I439 PolarHBondContact O-N 2.82Å; I437-A440 WeakPolarHBondContact O-CB 3.17Å; I437-A440 PolarHBondContact O-N 3.29Å; I437-A440 VanDerWaalsContact O-N 3.08Å; I437-R445 HydrophobicContact CG2-CB 3.85Å; I437-R445 HydrophobicContact CG2-CG 4.08Å; I437-R445 WeakPolarHBondContact O-CD 3.42Å; I437-R445 WeakPolarHBondContact O-CG 3.35Å; I437-R445 PolarHBondContact O-NE 3.03Å; I437-L448 HydrophobicContact CD1-CB 4.26Å; I437-L448 HydrophobicContact CG1-CB 3.85Å; I437-L448 HydrophobicContact CG1-CD1 4.47Å; I437-E449 HydrophobicContact CD1-CG 3.74Å; I437-E449 HydrophobicContact CG2-CG 4.04Å; I437-P460 HydrophobicContact CD1-CB 4.23Å; I437-P460 HydrophobicContact CD1-CG 3.68Å
438	K	98.3	Very high	98.2	Very high	103 Å²	103	52.2 Å²	52.2	45%	0.448	25%	0.246	S	C	.	.	H	α-helix	trans	-57.4	-35	175.6	-78.5	168.5	55.8	-162.9	0	113	H434 E435 R445	H434-K438 WeakPolarHBondContact NE2-CD 3.37Å; H434-K438 WeakPolarHBondContact O-CG 3.44Å; H434-K438 PolarHBondContact O-N 3.32Å; E435-K438 PolarHBondContact O-N 3.33Å; E435-K438 IonicContact OE2-NZ 3.88Å; E435-K438 PolarHBondContact OE2-NZ 3.1Å; K438-R445 PolarHBondContact O-NH2 3.2Å
439	I	98.6	Very high	98.3	Very high	5 Å²	5	52.5 Å²	52.5	3%	0.026	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	4.1	179.3	69.3	161.1	0	0	0	113.2	I395 I415 T417 Q419 G420 A422 E435 L436 I437	I395-I439 HydrophobicContact CD1-CD1 4.12Å; I395-I439 HydrophobicContact CD1-CG1 3.72Å; I415-I439 HydrophobicContact CB-CD1 3.92Å; I415-I439 HydrophobicContact CG2-CD1 3.76Å; I415-I439 WeakPolarHBondContact O-CD1 3.46Å; T417-I439 WeakPolarHBondContact CB-O 3.49Å; T417-I439 HydrophobicContact CG2-CD1 4.1Å; T417-I439 HydrophobicContact CG2-CG1 4.43Å; T417-I439 WeakPolarHBondContact CG2-O 3.47Å; T417-I439 PolarHBondContact OG1-O 2.95Å; Q419-I439 WeakPolarHBondContact CB-O 3.44Å; G420-I439 VanDerWaalsContact C-CG2 3.48Å; A422-I439 HydrophobicContact CB-CD1 3.45Å; A422-I439 VanDerWaalsContact CB-CD1 3.45Å; A422-I439 HydrophobicContact CB-CG1 3.92Å; A422-I439 HydrophobicContact CB-CG2 4.24Å; E435-I439 PolarHBondContact O-N 3.45Å; L436-I439 CarbonylContact O-C 3.56Å; L436-I439 WeakPolarHBondContact O-CG1 3.2Å; L436-I439 PolarHBondContact O-N 3.25Å; I437-I439 PolarHBondContact O-N 2.82Å
440	A	98.6	Very high	98.4	Very high	0 Å²	0	56 Å²	56	0%	0	26%	0.259	C	S	.	.	S	Bend	trans	-76.4	157.3	169.7	0	0	0	0	0	110.2	I395 L436 I437 R445 L448	I395-A440 HydrophobicContact CB-CB 4.22Å; I395-A440 HydrophobicContact CD1-CB 4.1Å; I395-A440 HydrophobicContact CG2-CB 4.5Å; L436-A440 PolarHBondContact O-N 3.21Å; I437-A440 WeakPolarHBondContact O-CB 3.17Å; I437-A440 PolarHBondContact O-N 3.29Å; I437-A440 VanDerWaalsContact O-N 3.08Å; A440-R445 HydrophobicContact CB-CG 4.31Å; A440-R445 PolarHBondContact O-NE 3.28Å; A440-R445 PolarHBondContact O-NH2 2.77Å; A440-R445 VanDerWaalsContact O-NH2 3.07Å; A440-L448 HydrophobicContact CB-CD1 3.55Å
441	H	98.4	Very high	98.4	Very high	39 Å²	39	52.3 Å²	52.3	18%	0.181	25%	0.25	C	C	.	.			trans	-55.8	136.3	173.3	-164.7	-94.1	0	0	0	109.9	S386 V387 D443 H444 R445	S386-H441 VanDerWaalsContact OG-CB 3.31Å; S386-H441 WeakPolarHBondContact OG-CB 3.3Å; V387-H441 HydrophobicContact CG1-CB 3.62Å; H441-D443 IonicContact CE1-OD1 3.86Å; H441-D443 IonicContact CE1-OD2 3.03Å; H441-D443 PolarHBondContact CE1-OD2 2.99Å; H441-D443 PolarHBondContact ND1-N 3.21Å; H441-D443 IonicContact ND1-OD1 3.76Å; H441-D443 IonicContact ND1-OD2 2.71Å; H441-D443 PolarHBondContact O-N 3.21Å; H441-D443 VanDerWaalsContact O-N 3.15Å; H441-H444 PolarHBondContact O-N 3Å; H441-R445 PolarHBondContact O-N 3.01Å
442	P	98.4	Very high	98.4	Very high	66 Å²	66	50.8 Å²	50.8	43%	0.429	24%	0.243	S	C	.	.	H	α-helix	trans	-47.8	-44.7	-178	-30.9	36.6	0	0	0	113.8	H444 R445	P442-H444 PolarHBondContact O-N 3.1Å; P442-R445 PolarHBondContact O-N 3.06Å
443	D	98	Very high	98.4	Very high	108 Å²	108	54.7 Å²	54.7	58%	0.578	26%	0.26	S	S	*	.	H	α-helix	trans	-61.8	-16.2	-179.3	-59	-4.2	0	0	0	114.8	H441	H441-D443 IonicContact CE1-OD1 3.86Å; H441-D443 IonicContact CE1-OD2 3.03Å; H441-D443 PolarHBondContact CE1-OD2 2.99Å; H441-D443 PolarHBondContact ND1-N 3.21Å; H441-D443 IonicContact ND1-OD1 3.76Å; H441-D443 IonicContact ND1-OD2 2.71Å; H441-D443 PolarHBondContact O-N 3.21Å; H441-D443 VanDerWaalsContact O-N 3.15Å
444	H	98.3	Very high	98.4	Very high	34 Å²	34	58.7 Å²	58.7	16%	0.157	28%	0.282	C	S	.	.	H	α-helix	trans	-110.4	-6.7	-175.9	-61.2	-48.9	0	0	0	113.6	V387 N391 S393 H441 P442 H447 L448	V387-H444 WeakPolarHBondContact CG1-NE2 3.36Å; N391-H444 PolarHBondContact O-CE1 2.8Å; N391-H444 PolarHBondContact O-NE2 3.31Å; N391-H444 VanDerWaalsContact O-NE2 3.13Å; S393-H444 WeakPolarHBondContact CB-CD2 3.15Å; S393-H444 PolarHBondContact N-NE2 3.41Å; H441-H444 PolarHBondContact O-N 3Å; P442-H444 PolarHBondContact O-N 3.1Å; H444-H447 PolarHBondContact O-N 2.88Å; H444-L448 VanDerWaalsContact O-CG 3.32Å; H444-L448 WeakPolarHBondContact O-CG 3.36Å; H444-L448 PolarHBondContact O-N 3.01Å
445	R	98.4	Very high	98.3	Very high	78 Å²	78	61.4 Å²	61.4	29%	0.294	29%	0.289	S	S	.	.	H	α-helix	trans	-63.5	-48.3	-174.1	-64.7	-173.5	-175.9	165.2	2.4	112.7	I437 K438 A440 H441 P442 H447 L448 E449	I437-R445 HydrophobicContact CG2-CB 3.85Å; I437-R445 HydrophobicContact CG2-CG 4.08Å; I437-R445 WeakPolarHBondContact O-CD 3.42Å; I437-R445 WeakPolarHBondContact O-CG 3.35Å; I437-R445 PolarHBondContact O-NE 3.03Å; K438-R445 PolarHBondContact O-NH2 3.2Å; A440-R445 HydrophobicContact CB-CG 4.31Å; A440-R445 PolarHBondContact O-NE 3.28Å; A440-R445 PolarHBondContact O-NH2 2.77Å; A440-R445 VanDerWaalsContact O-NH2 3.07Å; H441-R445 PolarHBondContact O-N 3.01Å; P442-R445 PolarHBondContact O-N 3.06Å; R445-H447 VanDerWaalsContact C-N 3.31Å; R445-H447 PolarHBondContact O-N 3.24Å; R445-L448 PolarHBondContact O-N 2.81Å; R445-L448 VanDerWaalsContact O-N 3.15Å; R445-E449 WeakPolarHBondContact O-CG 3.27Å; R445-E449 PolarHBondContact O-N 2.98Å
446	E	98.1	Very high	98.2	Very high	161 Å²	161	63 Å²	63	75%	0.752	30%	0.296	S	S	*	.	H	α-helix	trans	-60	-42.7	178.6	-175.4	-175.6	178.8	0	0	111.5	L448 E449 K450	E446-L448 VanDerWaalsContact C-N 3.33Å; E446-L448 PolarHBondContact O-N 2.92Å; E446-E449 PolarHBondContact O-N 3.04Å; E446-K450 WeakPolarHBondContact O-CB 3.4Å; E446-K450 PolarHBondContact O-N 3.44Å
447	H	98	Very high	98.1	Very high	126 Å²	126	70.5 Å²	70.5	58%	0.583	33%	0.329	S	S	*	.	H	α-helix	trans	-61.4	-42	176.7	178.5	74.5	0	0	0	111.8	H444 R445 A451	H444-H447 PolarHBondContact O-N 2.88Å; R445-H447 VanDerWaalsContact C-N 3.31Å; R445-H447 PolarHBondContact O-N 3.24Å; H447-A451 VanDerWaalsContact O-CB 3.26Å; H447-A451 WeakPolarHBondContact O-CB 3.49Å; H447-A451 PolarHBondContact O-N 2.88Å
448	L	98.5	Very high	98.1	Very high	3 Å²	3	72.1 Å²	72.1	2%	0.016	34%	0.34	C	S	.	.	H	α-helix	trans	-68.3	-39.5	177.8	-69.6	169.6	0	0	0	112.4	I349 I395 A397 I437 A440 H444 R445 E446 A451 F452	I349-L448 HydrophobicContact CD1-CB 4.35Å; I349-L448 HydrophobicContact CD1-CD2 4.42Å; I395-L448 HydrophobicContact CB-CD1 4.27Å; I395-L448 HydrophobicContact CG2-CD1 3.9Å; I395-L448 WeakPolarHBondContact O-CD2 3.45Å; A397-L448 HydrophobicContact CB-CD2 4.46Å; I437-L448 HydrophobicContact CD1-CB 4.26Å; I437-L448 HydrophobicContact CG1-CB 3.85Å; I437-L448 HydrophobicContact CG1-CD1 4.47Å; A440-L448 HydrophobicContact CB-CD1 3.55Å; H444-L448 VanDerWaalsContact O-CG 3.32Å; H444-L448 WeakPolarHBondContact O-CG 3.36Å; H444-L448 PolarHBondContact O-N 3.01Å; R445-L448 PolarHBondContact O-N 2.81Å; R445-L448 VanDerWaalsContact O-N 3.15Å; E446-L448 VanDerWaalsContact C-N 3.33Å; E446-L448 PolarHBondContact O-N 2.92Å; L448-A451 PolarHBondContact O-N 3.3Å; L448-F452 VanDerWaalsContact O-CB 3.31Å; L448-F452 WeakPolarHBondContact O-CB 3.41Å; L448-F452 PolarHBondContact O-N 2.85Å
449	E	98.2	Very high	98	Very high	79 Å²	79	71.6 Å²	71.6	37%	0.369	34%	0.34	S	S	.	.	H	α-helix	trans	-61.3	-48.5	174.1	-74.3	-178.7	171.7	0	0	111.4	I437 R445 E446 F452 F453	I437-E449 HydrophobicContact CD1-CG 3.74Å; I437-E449 HydrophobicContact CG2-CG 4.04Å; R445-E449 WeakPolarHBondContact O-CG 3.27Å; R445-E449 PolarHBondContact O-N 2.98Å; E446-E449 PolarHBondContact O-N 3.04Å; E449-F452 PolarHBondContact O-N 3.04Å; E449-F453 PolarHBondContact O-N 2.94Å
450	K	98.4	Very high	97.9	Very high	138 Å²	138	72.2 Å²	72.2	60%	0.6	34%	0.344	S	S	*	.	H	α-helix	trans	-60.6	-48.6	176.9	-177.1	177	179.2	178.3	0	111.4	E446 F452 F453 D454	E446-K450 WeakPolarHBondContact O-CB 3.4Å; E446-K450 PolarHBondContact O-N 3.44Å; K450-F452 VanDerWaalsContact C-N 3.29Å; K450-F452 PolarHBondContact O-N 3Å; K450-F453 PolarHBondContact O-N 3.35Å; K450-D454 WeakPolarHBondContact O-CB 3.38Å; K450-D454 VanDerWaalsContact O-CG 3.3Å; K450-D454 PolarHBondContact O-N 3.4Å
451	A	98.2	Very high	97.9	Very high	23 Å²	23	73.2 Å²	73.2	19%	0.19	35%	0.351	C	S	.	.	H	α-helix	trans	-64	-35	179.5	0	0	0	0	0	112.3	A397 H447 L448 R455	A397-A451 HydrophobicContact CB-CB 3.47Å; A397-A451 VanDerWaalsContact CB-CB 3.47Å; H447-A451 VanDerWaalsContact O-CB 3.26Å; H447-A451 WeakPolarHBondContact O-CB 3.49Å; H447-A451 PolarHBondContact O-N 2.88Å; L448-A451 PolarHBondContact O-N 3.3Å; A451-R455 WeakPolarHBondContact O-CB 3.49Å; A451-R455 PolarHBondContact O-N 3.06Å; A451-R455 VanDerWaalsContact O-N 3.11Å
452	F	98.4	Very high	97.7	Very high	1 Å²	1	74.2 Å²	74.2	0%	0.004	37%	0.366	C	S	.	.	H	α-helix	trans	-64.7	-48.1	172.2	-177	-86.9	0	0	0	111.3	I349 M429 R430 A433 L448 E449 K450 D454 R455 F456 C458 P460	I349-F452 HydrophobicContact CG1-CB 4.43Å; I349-F452 HydrophobicContact CG1-CD2 3.98Å; I349-F452 HydrophobicContact CG2-CD2 4.32Å; M429-F452 WeakPolarHBondContact O-CE2 3.28Å; R430-F452 HydrophobicContact CB-CZ 4.3Å; R430-F452 HydrophobicContact CG-CE1 4.18Å; R430-F452 HydrophobicContact CG-CZ 3.94Å; A433-F452 HydrophobicContact CB-CD2 3.29Å; A433-F452 HydrophobicContact CB-CE2 3.3Å; A433-F452 HydrophobicContact CB-CG 3.98Å; A433-F452 HydrophobicContact CB-CZ 4Å; L448-F452 VanDerWaalsContact O-CB 3.31Å; L448-F452 WeakPolarHBondContact O-CB 3.41Å; L448-F452 PolarHBondContact O-N 2.85Å; E449-F452 PolarHBondContact O-N 3.04Å; K450-F452 VanDerWaalsContact C-N 3.29Å; K450-F452 PolarHBondContact O-N 3Å; F452-D454 VanDerWaalsContact C-N 3.33Å; F452-D454 PolarHBondContact O-N 3.11Å; F452-R455 PolarHBondContact O-N 3.35Å; F452-F456 HydrophobicContact CD1-CB 4.27Å; F452-F456 HydrophobicContact CD1-CD2 4.42Å; F452-F456 AromaticContact CD2-CD2 3.47Å; F452-F456 HydrophobicContact CD2-CD2 3.47Å; F452-F456 VanDerWaalsContact CD2-CD2 3.47Å; F452-F456 AromaticContact CD2-CE2 3.86Å; F452-F456 HydrophobicContact CD2-CE2 3.86Å; F452-F456 HydrophobicContact CD2-CG 4.3Å; F452-F456 HydrophobicContact CE1-CB 3.83Å; F452-F456 HydrophobicContact CE1-CD2 4.34Å; F452-F456 HydrophobicContact CE1-CG 4.29Å; F452-F456 HydrophobicContact CE2-CB 4.27Å; F452-F456 AromaticContact CE2-CD2 3.35Å; F452-F456 HydrophobicContact CE2-CD2 3.35Å; F452-F456 AromaticContact CE2-CE2 3.71Å; F452-F456 HydrophobicContact CE2-CE2 3.71Å; F452-F456 AromaticContact CE2-CG 3.82Å; F452-F456 HydrophobicContact CE2-CG 3.82Å; F452-F456 HydrophobicContact CE2-CZ 4.45Å; F452-F456 HydrophobicContact CG-CD2 4.03Å; F452-F456 HydrophobicContact CZ-CB 3.83Å; F452-F456 AromaticContact CZ-CD2 3.82Å; F452-F456 HydrophobicContact CZ-CD2 3.82Å; F452-F456 AromaticContact CZ-CG 3.82Å; F452-F456 HydrophobicContact CZ-CG 3.82Å; F452-F456 WeakPolarHBondContact O-CB 3.13Å; F452-F456 PolarHBondContact O-N 2.9Å; F452-C458 VanDerWaalsContact CD1-O 3.25Å; F452-C458 WeakPolarHBondContact CD1-O 3.49Å; F452-C458 VanDerWaalsContact CE1-O 3.28Å; F452-C458 WeakPolarHBondContact CE1-O 3.48Å; F452-P460 HydrophobicContact CB-CG 4.12Å; F452-P460 HydrophobicContact CD1-CB 4.45Å; F452-P460 VanDerWaalsContact CD1-CD 3.48Å; F452-P460 HydrophobicContact CD1-CG 3.55Å; F452-P460 HydrophobicContact CE1-CG 4.1Å; F452-P460 HydrophobicContact CG-CG 3.83Å
453	F	98.3	Very high	97.3	Very high	95 Å²	95	78.9 Å²	78.9	42%	0.417	39%	0.387	S	S	.	.	H	α-helix	trans	-59.1	-44.3	176.9	-179.6	-92.9	0	0	0	111.6	E449 K450 R455 K457 M459	E449-F453 PolarHBondContact O-N 2.94Å; K450-F453 PolarHBondContact O-N 3.35Å; F453-R455 VanDerWaalsContact C-N 3.27Å; F453-R455 PolarHBondContact O-N 2.86Å; F453-K457 WeakPolarHBondContact O-CA 3.25Å; F453-K457 PolarHBondContact O-N 2.64Å; F453-M459 HydrophobicContact CB-SD 4.2Å; F453-M459 HydrophobicContact CD2-CG 4.37Å; F453-M459 HydrophobicContact CD2-SD 3.73Å; F453-M459 HydrophobicContact CG-SD 4.27Å
454	D	98.1	Very high	97.3	Very high	84 Å²	84	77.5 Å²	77.5	45%	0.449	38%	0.378	S	S	.	.	H	α-helix	trans	-61	-37.1	178.5	-73.3	-22.6	0	0	0	111.9	K450 F452 K457	K450-D454 WeakPolarHBondContact O-CB 3.38Å; K450-D454 VanDerWaalsContact O-CG 3.3Å; K450-D454 PolarHBondContact O-N 3.4Å; F452-D454 VanDerWaalsContact C-N 3.33Å; F452-D454 PolarHBondContact O-N 3.11Å; D454-K457 VanDerWaalsContact O-CE 3.29Å; D454-K457 WeakPolarHBondContact O-CE 3.47Å; D454-K457 PolarHBondContact O-NZ 2.94Å
455	R	96.9	Very high	97.2	Very high	110 Å²	110	79.7 Å²	79.7	42%	0.415	39%	0.389	S	S	.	.	H	α-helix	trans	-82.7	-44.5	-179.2	-178.1	175.4	174.2	-172.6	0.8	113.8	A397 A451 F452 F453	A397-R455 PolarHBondContact O-NH1 2.8Å; A451-R455 WeakPolarHBondContact O-CB 3.49Å; A451-R455 PolarHBondContact O-N 3.06Å; A451-R455 VanDerWaalsContact O-N 3.11Å; F452-R455 PolarHBondContact O-N 3.35Å; F453-R455 VanDerWaalsContact C-N 3.27Å; F453-R455 PolarHBondContact O-N 2.86Å
456	F	96.9	Very high	97.1	Very high	64 Å²	64	79.8 Å²	79.8	28%	0.281	40%	0.395	S	S	.	.	H	α-helix	trans	-106.2	-2.4	-170.4	-69.9	-86	0	0	0	113.9	I349 T350 M429 F452 C458	I349-F456 HydrophobicContact CG2-CE2 4.47Å; T350-F456 HydrophobicContact CG2-CE2 4.29Å; T350-F456 HydrophobicContact CG2-CZ 3.85Å; M429-F456 HydrophobicContact CB-CE1 4.11Å; M429-F456 HydrophobicContact CB-CZ 4.48Å; M429-F456 HydrophobicContact CG-CE1 4.1Å; M429-F456 HydrophobicContact CG-CZ 4.5Å; F452-F456 HydrophobicContact CD1-CB 4.27Å; F452-F456 HydrophobicContact CD1-CD2 4.42Å; F452-F456 AromaticContact CD2-CD2 3.47Å; F452-F456 HydrophobicContact CD2-CD2 3.47Å; F452-F456 VanDerWaalsContact CD2-CD2 3.47Å; F452-F456 AromaticContact CD2-CE2 3.86Å; F452-F456 HydrophobicContact CD2-CE2 3.86Å; F452-F456 HydrophobicContact CD2-CG 4.3Å; F452-F456 HydrophobicContact CE1-CB 3.83Å; F452-F456 HydrophobicContact CE1-CD2 4.34Å; F452-F456 HydrophobicContact CE1-CG 4.29Å; F452-F456 HydrophobicContact CE2-CB 4.27Å; F452-F456 AromaticContact CE2-CD2 3.35Å; F452-F456 HydrophobicContact CE2-CD2 3.35Å; F452-F456 AromaticContact CE2-CE2 3.71Å; F452-F456 HydrophobicContact CE2-CE2 3.71Å; F452-F456 AromaticContact CE2-CG 3.82Å; F452-F456 HydrophobicContact CE2-CG 3.82Å; F452-F456 HydrophobicContact CE2-CZ 4.45Å; F452-F456 HydrophobicContact CG-CD2 4.03Å; F452-F456 HydrophobicContact CZ-CB 3.83Å; F452-F456 AromaticContact CZ-CD2 3.82Å; F452-F456 HydrophobicContact CZ-CD2 3.82Å; F452-F456 AromaticContact CZ-CG 3.82Å; F452-F456 HydrophobicContact CZ-CG 3.82Å; F452-F456 WeakPolarHBondContact O-CB 3.13Å; F452-F456 PolarHBondContact O-N 2.9Å; F456-C458 PolarHBondContact O-N 3.4Å; F456-C458 VanDerWaalsContact O-N 3.11Å; F456-C458 PolarHBondContact O-SG 3.12Å; F456-C458 VanDerWaalsContact O-SG 3.34Å
457	K	97.5	Very high	97.1	Very high	158 Å²	158	75.1 Å²	75.1	69%	0.687	37%	0.374	S	S	*	.	S	Bend	trans	55.8	26.9	176.9	-51.1	-52.7	-173.6	-168.5	0	114.1	F453 D454	F453-K457 WeakPolarHBondContact O-CA 3.25Å; F453-K457 PolarHBondContact O-N 2.64Å; D454-K457 VanDerWaalsContact O-CE 3.29Å; D454-K457 WeakPolarHBondContact O-CE 3.47Å; D454-K457 PolarHBondContact O-NZ 2.94Å
458	C	97.1	Very high	97	Very high	39 Å²	39	71.9 Å²	71.9	26%	0.264	36%	0.36	S	S	.	.	S	Bend	trans	-155.8	161.3	175.8	59.5	0	0	0	0	110	F452 F456	F452-C458 VanDerWaalsContact CD1-O 3.25Å; F452-C458 WeakPolarHBondContact CD1-O 3.49Å; F452-C458 VanDerWaalsContact CE1-O 3.28Å; F452-C458 WeakPolarHBondContact CE1-O 3.48Å; F456-C458 PolarHBondContact O-N 3.4Å; F456-C458 VanDerWaalsContact O-N 3.11Å; F456-C458 PolarHBondContact O-SG 3.12Å; F456-C458 VanDerWaalsContact O-SG 3.34Å
459	M	97.4	Very high	96.9	Very high	93 Å²	93	76.5 Å²	76.5	46%	0.458	38%	0.383	S	S	.	.			trans	-78.2	146.5	177.3	-65.7	-58.1	-70.1	0	0	111.6	R430 F453	R430-M459 PolarHBondContact NE-O 3.33Å; R430-M459 PolarHBondContact NH2-O 2.78Å; F453-M459 HydrophobicContact CB-SD 4.2Å; F453-M459 HydrophobicContact CD2-CG 4.37Å; F453-M459 HydrophobicContact CD2-SD 3.73Å; F453-M459 HydrophobicContact CG-SD 4.27Å
460	P	97.2	Very high	96.8	Very high	17 Å²	17	76.3 Å²	76.3	11%	0.11	38%	0.384	C	S	.	.			trans	-54.1	143.7	160.9	-17.5	30.6	0	0	0	109.7	A433 H434 I437 F452	A433-P460 HydrophobicContact CB-CB 3.98Å; A433-P460 HydrophobicContact CB-CG 4.12Å; H434-P460 HydrophobicContact CB-CB 4.03Å; I437-P460 HydrophobicContact CD1-CB 4.23Å; I437-P460 HydrophobicContact CD1-CG 3.68Å; F452-P460 HydrophobicContact CB-CG 4.12Å; F452-P460 HydrophobicContact CD1-CB 4.45Å; F452-P460 VanDerWaalsContact CD1-CD 3.48Å; F452-P460 HydrophobicContact CD1-CG 3.55Å; F452-P460 HydrophobicContact CE1-CG 4.1Å; F452-P460 HydrophobicContact CG-CG 3.83Å
461	T	97.1	Very high	96.7	Very high	21 Å²	21	71.5 Å²	71.5	13%	0.129	37%	0.368	C	S	.	.			trans	-147.6	154.3	176.8	-173.1	0	0	0	0	110.3	R430 Q431 H434 D463	R430-T461 CarbonylContact C-O 3.52Å; R430-T461 HydrophobicContact CB-CG2 4.09Å; R430-T461 VanDerWaalsContact CZ-CG2 3.44Å; R430-T461 VanDerWaalsContact NH2-CG2 3.3Å; R430-T461 PolarHBondContact O-N 2.83Å; Q431-T461 WeakPolarHBondContact CA-O 3.02Å; Q431-T461 PolarHBondContact N-O 3.19Å; H434-T461 WeakPolarHBondContact CB-O 3.28Å; T461-D463 VanDerWaalsContact C-N 3.3Å; T461-D463 HydrophobicContact CG2-CB 4.11Å; T461-D463 PolarHBondContact OG1-N 3.37Å; T461-D463 VanDerWaalsContact OG1-N 3.17Å; T461-D463 PolarHBondContact OG1-OD2 3.49Å
462	A	94.9	Very high	96.6	Very high	60 Å²	60	75.6 Å²	75.6	50%	0.496	38%	0.383	S	S	.	.			trans	-74.8	-22.6	168.3	0	0	0	0	0	112.7
463	D	89.4	Confident	96.4	Very high	165 Å²	165	82.4 Å²	82.4	88%	0.882	42%	0.417	S	S	*	.			trans	-68.1	0	-172.7	-54.6	-37.7	0	0	0	114.5	Q431 T461	Q431-D463 WeakPolarHBondContact CG-O 3.41Å; Q431-D463 PolarHBondContact NE2-O 3.28Å; Q431-D463 PolarHBondContact NE2-OXT 2.8Å; Q431-D463 VanDerWaalsContact NE2-OXT 3.12Å; T461-D463 VanDerWaalsContact C-N 3.3Å; T461-D463 HydrophobicContact CG2-CB 4.11Å; T461-D463 PolarHBondContact OG1-N 3.37Å; T461-D463 VanDerWaalsContact OG1-N 3.17Å; T461-D463 PolarHBondContact OG1-OD2 3.49Å

Retrieved 463 of 463 residues in 1253.8 ms (Link to these results)

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