A0A087WWF6_HUMAN Loading...

DNA polymerase delta subunit 2

AlphaFold DB , UniProt , Accession A0A087WWF6, Species HUMAN (Homo sapiens, Human), Gene POLD2, Length 504 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.8	Very low	30.3	Very low	246 Å²	246	127.4 Å²	127.4	100%	1.212	90%	0.899	S	S	*	*				0	123.7	0	-74.2	-165.6	-143.5	0	0	108.3
2	G	34	Very low	30.2	Very low	88 Å²	88	128.6 Å²	128.6	91%	0.907	90%	0.904	S	S	*	*			trans	61.4	134.8	162.9	0	0	0	0	0	117.2
3	G	29	Very low	30	Very low	77 Å²	77	124.2 Å²	124.2	79%	0.794	89%	0.891	S	S	*	*			cis	175.8	167.6	11.2	0	0	0	0	0	108.8
4	A	32.3	Very low	30	Very low	115 Å²	115	122.4 Å²	122.4	95%	0.95	89%	0.886	S	S	*	*			trans	-47.9	155	-169.8	0	0	0	0	0	118.5
5	G	29.4	Very low	29.8	Very low	83 Å²	83	121.9 Å²	121.9	86%	0.856	88%	0.877	S	S	*	*			trans	166.8	66.8	158.9	0	0	0	0	0	115
6	A	30.4	Very low	29.7	Very low	107 Å²	107	129.4 Å²	129.4	88%	0.884	88%	0.879	S	S	*	*			trans	-106.9	106.4	172.8	0	0	0	0	0	111.5
7	R	31.1	Very low	29.6	Very low	253 Å²	253	128.4 Å²	128.4	96%	0.955	87%	0.867	S	S	*	*			trans	-126.6	118.4	151.7	-71.1	-178.2	-179.5	-176.9	-0	103.1
8	G	26.9	Very low	29.3	Very low	75 Å²	75	129.2 Å²	129.2	77%	0.773	86%	0.861	S	S	*	*				111.8	99.5	53.8	0	0	0	0	0	105.6
9	L	30.5	Very low	29.3	Very low	180 Å²	180	130.9 Å²	130.9	94%	0.942	86%	0.861	S	S	*	*			trans	-150.1	134	167.6	-100.2	165.9	0	0	0	109.7
10	A	28.1	Very low	29.3	Very low	101 Å²	101	132.2 Å²	132.2	84%	0.835	86%	0.859	S	S	*	*			trans	-65.1	139.5	-167.4	0	0	0	0	0	114
11	G	28.1	Very low	29.6	Very low	76 Å²	76	129.1 Å²	129.1	78%	0.784	85%	0.851	S	S	*	*			trans	-122.3	116.2	161.2	0	0	0	0	0	109.1	G13	G11-G13 PolarHBondContact O-N 2.65Å
12	C	28.6	Very low	29.4	Very low	142 Å²	142	126.4 Å²	126.4	96%	0.959	84%	0.84	S	S	*	*			trans	-63.2	112.3	174.5	-68.3	0	0	0	0	110.7
13	G	27.1	Very low	29.2	Very low	71 Å²	71	125.8 Å²	125.8	73%	0.732	83%	0.834	S	S	*	*			trans	-110.7	125.9	165.8	0	0	0	0	0	109.6	G11	G11-G13 PolarHBondContact O-N 2.65Å
14	A	30.1	Very low	29.2	Very low	100 Å²	100	131.8 Å²	131.8	83%	0.826	84%	0.841	S	S	*	*			trans	-57.6	140.4	176.4	0	0	0	0	0	111.8	R16	A14-R16 PolarHBondContact O-N 3.09Å
15	P	27.4	Very low	29.2	Very low	114 Å²	114	130.8 Å²	130.8	74%	0.74	83%	0.833	S	S	*	*			trans	-79	123.4	177.8	30.2	-29.8	0	0	0	110.5	V17	P15-V17 PolarHBondContact O-N 2.84Å
16	R	27.7	Very low	29.3	Very low	243 Å²	243	132.4 Å²	132.4	92%	0.917	83%	0.826	S	S	*	*			trans	-63.4	113.4	155.4	-83.3	179.7	167.8	-179.9	-4.3	107.6	A14 N18	A14-R16 PolarHBondContact O-N 3.09Å; R16-N18 PolarHBondContact O-N 2.63Å
17	V	27.8	Very low	29.3	Very low	111 Å²	111	138 Å²	138	67%	0.673	83%	0.825	S	S	*	*			trans	-79.8	101.2	171.5	-179.6	0	0	0	0	108	P15 L19	P15-V17 PolarHBondContact O-N 2.84Å; V17-L19 HydrophobicContact CG1-CD1 3.83Å; V17-L19 HydrophobicContact CG1-CG 3.96Å; V17-L19 PolarHBondContact O-N 3.37Å
18	N	25.8	Very low	29.2	Very low	143 Å²	143	133.1 Å²	133.1	77%	0.765	82%	0.823	S	S	*	*			trans	-73.6	105.6	157	-93.4	-11.6	0	0	0	107.5	R16 L20	R16-N18 PolarHBondContact O-N 2.63Å; N18-L20 VanDerWaalsContact C-N 3.26Å; N18-L20 PolarHBondContact O-N 3.02Å
19	L	28.3	Very low	29.5	Very low	162 Å²	162	138 Å²	138	85%	0.848	82%	0.823	S	S	*	*			trans	-89.9	70.7	163.4	-95	145.6	0	0	0	108.2	V17	V17-L19 HydrophobicContact CG1-CD1 3.83Å; V17-L19 HydrophobicContact CG1-CG 3.96Å; V17-L19 PolarHBondContact O-N 3.37Å
20	L	30.5	Very low	29.5	Very low	157 Å²	157	138 Å²	138	82%	0.822	82%	0.818	S	S	*	*			trans	-115.3	122.4	159.1	-87.2	166.5	0	0	0	106.2	N18	N18-L20 VanDerWaalsContact C-N 3.26Å; N18-L20 PolarHBondContact O-N 3.02Å
21	G	34.6	Very low	29.8	Very low	67 Å²	67	140 Å²	140	69%	0.691	82%	0.819	S	S	*	*			trans	111.2	93.7	175.6	0	0	0	0	0	112
22	L	30.6	Very low	30.2	Very low	189 Å²	189	146.5 Å²	146.5	99%	0.99	82%	0.82	S	S	*	*	S	Bend	trans	175.7	91.8	140.2	-91.4	161.9	0	0	0	106.7
23	G	29.2	Very low	30.9	Very low	75 Å²	75	144.6 Å²	144.6	77%	0.773	81%	0.809	S	S	*	*	S	Bend	trans	-177	-22.2	176.5	0	0	0	0	0	116.1
24	E	29.4	Very low	32.4	Very low	204 Å²	204	143.3 Å²	143.3	95%	0.953	79%	0.786	S	S	*	*	S	Bend	trans	-100.6	10.9	-173.5	-78	-170.9	146.1	0	0	115.9
25	A	31.9	Very low	33.9	Very low	94 Å²	94	139.2 Å²	139.2	78%	0.777	75%	0.753	S	S	*	*	S	Bend	trans	-122.9	41.9	-170.3	0	0	0	0	0	114.4
26	V	30.3	Very low	36.6	Very low	117 Å²	117	135.7 Å²	135.7	71%	0.709	73%	0.727	S	S	*	*	S	Bend	trans	-148.4	135.6	155.6	-169.4	0	0	0	0	105.9
27	W	31.3	Very low	39.3	Very low	225 Å²	225	124.5 Å²	124.5	85%	0.852	69%	0.685	S	S	*	*			trans	99.5	43	178.9	-51.1	98.9	0	0	0	118.3
28	T	29.8	Very low	42.1	Very low	149 Å²	149	122 Å²	122	91%	0.914	67%	0.673	S	S	*	*			trans	-106.5	37.5	149.7	37.1	0	0	0	0	112.1
29	K	32.5	Very low	45	Very low	179 Å²	179	119.7 Å²	119.7	78%	0.778	66%	0.657	S	S	*	*	S	Bend	trans	-135.7	81.1	171.4	-82.3	-175	175.9	177.7	0	109.6
30	Q	30.1	Very low	47.6	Very low	180 Å²	180	113.3 Å²	113.3	84%	0.841	62%	0.623	S	S	*	*				173.2	39.3	128.2	-131.6	148.8	-18.3	0	0	113.1	R32	Q30-R32 PolarHBondContact O-N 3.11Å
31	V	34.2	Very low	50.2	Low	142 Å²	142	106.2 Å²	106.2	86%	0.861	59%	0.587	S	S	*	*			trans	-80.5	99.9	152.8	-176.6	0	0	0	0	104.4	S33	V31-S33 PolarHBondContact O-N 3.16Å; V31-S33 VanDerWaalsContact O-N 3.15Å
32	R	36.8	Very low	52.8	Low	212 Å²	212	106.7 Å²	106.7	80%	0.8	58%	0.584	S	S	*	*			trans	-52	123.5	160.6	-77.8	-178.8	171.7	178.1	-2.3	104.9	Q30 V34	Q30-R32 PolarHBondContact O-N 3.11Å; R32-V34 HydrophobicContact CB-CG2 4.35Å; R32-V34 WeakPolarHBondContact O-CG2 3.31Å; R32-V34 PolarHBondContact O-N 3.22Å
33	S	43.2	Very low	55.4	Low	103 Å²	103	104.1 Å²	104.1	72%	0.72	57%	0.567	S	S	*	*			trans	-62.9	100	169.5	66	0	0	0	0	105.8	V31 A35	V31-S33 PolarHBondContact O-N 3.16Å; V31-S33 VanDerWaalsContact O-N 3.15Å; S33-A35 PolarHBondContact O-N 3.06Å
34	V	58	Low	58.3	Low	43 Å²	43	105.6 Å²	105.6	26%	0.261	55%	0.549	S	S	.	.			trans	-82.5	119.3	177.3	-178.2	0	0	0	0	105.4	R32 M36	R32-V34 HydrophobicContact CB-CG2 4.35Å; R32-V34 WeakPolarHBondContact O-CG2 3.31Å; R32-V34 PolarHBondContact O-N 3.22Å; V34-M36 PolarHBondContact O-N 3.25Å
35	A	63.1	Low	61.1	Low	15 Å²	15	99.9 Å²	99.9	12%	0.124	54%	0.537	C	S	.	.			trans	-56.1	115.3	-179	0	0	0	0	0	110.3	S33 E39 Q40	S33-A35 PolarHBondContact O-N 3.06Å; A35-E39 WeakPolarHBondContact CA-OE2 3.43Å; A35-E39 HydrophobicContact CB-CB 4.11Å; A35-E39 HydrophobicContact CB-CG 3.97Å; A35-Q40 HydrophobicContact CB-CG 3.75Å; A35-Q40 PolarHBondContact O-NE2 2.85Å; A35-Q40 VanDerWaalsContact O-NE2 3.1Å
36	M	84.5	Confident	64.1	Low	40 Å²	40	103.1 Å²	103.1	20%	0.197	54%	0.536	C	S	.	.			trans	-77.6	172.3	174.5	-67.6	-60.5	-73.3	0	0	110.5	V34 S38 E39 Q40 A481 Q483	V34-M36 PolarHBondContact O-N 3.25Å; M36-S38 VanDerWaalsContact C-N 3.33Å; M36-S38 PolarHBondContact O-N 3.48Å; M36-E39 WeakPolarHBondContact O-CB 3.39Å; M36-E39 PolarHBondContact O-N 2.98Å; M36-Q40 PolarHBondContact O-N 3.4Å; M36-A481 HydrophobicContact CE-CB 3.61Å; M36-A481 HydrophobicContact SD-CB 3.32Å; M36-A481 WeakPolarHBondContact SD-CB 3.2Å; M36-Q483 HydrophobicContact CE-CB 3.49Å; M36-Q483 VanDerWaalsContact CE-CB 3.49Å
37	F	84.4	Confident	67	Low	8 Å²	8	99.9 Å²	99.9	4%	0.035	52%	0.516	C	S	.	.	H	α-helix	trans	-51.1	-48.9	-172.3	-177.6	-95.2	0	0	0	112.8	E39 Q40 A41 F230 E266 L474 I485	F37-E39 VanDerWaalsContact C-N 3.34Å; F37-E39 PolarHBondContact O-N 3.08Å; F37-Q40 PolarHBondContact O-N 2.97Å; F37-A41 WeakPolarHBondContact O-CB 3.31Å; F37-A41 PolarHBondContact O-N 3.2Å; F37-F230 HydrophobicContact CB-CE1 4.22Å; F37-F230 HydrophobicContact CB-CZ 4.5Å; F37-E266 VanDerWaalsContact CE1-OE2 3.23Å; F37-E266 WeakPolarHBondContact CE1-OE2 3.36Å; F37-L474 HydrophobicContact CB-CD1 3.63Å; F37-L474 HydrophobicContact CD1-CD1 3.94Å; F37-L474 HydrophobicContact CD2-CD1 3.28Å; F37-L474 HydrophobicContact CE1-CD1 4.44Å; F37-L474 HydrophobicContact CE2-CD1 3.84Å; F37-L474 HydrophobicContact CG-CD1 3.33Å; F37-L474 HydrophobicContact CZ-CD1 4.4Å; F37-I485 HydrophobicContact CD1-CD1 4.05Å; F37-I485 HydrophobicContact CE1-CD1 4.15Å
38	S	86.1	Confident	70.1	Confident	59 Å²	59	94.4 Å²	94.4	41%	0.413	50%	0.503	S	S	.	.	H	α-helix	trans	-66.7	-33	179.3	-53	0	0	0	0	113.5	M36 A41 A42 Q483	M36-S38 VanDerWaalsContact C-N 3.33Å; M36-S38 PolarHBondContact O-N 3.48Å; S38-A41 PolarHBondContact O-N 3.23Å; S38-A42 WeakPolarHBondContact O-CB 3.38Å; S38-A42 PolarHBondContact O-N 2.91Å; S38-Q483 PolarHBondContact OG-NE2 3.16Å
39	E	86.7	Confident	73.2	Confident	94 Å²	94	96.1 Å²	96.1	44%	0.439	51%	0.506	S	S	.	.	H	α-helix	trans	-69.4	-39.1	176.1	-171.1	-177.1	156.1	0	0	110.5	A35 M36 F37 Q43	A35-E39 WeakPolarHBondContact CA-OE2 3.43Å; A35-E39 HydrophobicContact CB-CB 4.11Å; A35-E39 HydrophobicContact CB-CG 3.97Å; M36-E39 WeakPolarHBondContact O-CB 3.39Å; M36-E39 PolarHBondContact O-N 2.98Å; F37-E39 VanDerWaalsContact C-N 3.34Å; F37-E39 PolarHBondContact O-N 3.08Å; E39-Q43 WeakPolarHBondContact O-CG 3.49Å
40	Q	83	Confident	76.2	Confident	27 Å²	27	91.2 Å²	91.2	13%	0.126	49%	0.494	C	S	.	.	H	α-helix	trans	-67.6	-40.7	174.5	-64.7	-170.6	-0.9	0	0	111.9	A35 M36 F37 A42 Q43 D228	A35-Q40 HydrophobicContact CB-CG 3.75Å; A35-Q40 PolarHBondContact O-NE2 2.85Å; A35-Q40 VanDerWaalsContact O-NE2 3.1Å; M36-Q40 PolarHBondContact O-N 3.4Å; F37-Q40 PolarHBondContact O-N 2.97Å; Q40-A42 VanDerWaalsContact C-N 3.31Å; Q40-A42 PolarHBondContact O-N 2.9Å; Q40-Q43 PolarHBondContact O-N 3.28Å; Q40-D228 VanDerWaalsContact NE2-CG 3.32Å; Q40-D228 PolarHBondContact NE2-OD2 3.41Å
41	A	85.3	Confident	79.4	Confident	8 Å²	8	87.9 Å²	87.9	7%	0.066	49%	0.488	C	S	.	.	H	α-helix	trans	-63.8	-36.3	178.3	0	0	0	0	0	112.3	F37 S38 Q43 G265 E266 S269	F37-A41 WeakPolarHBondContact O-CB 3.31Å; F37-A41 PolarHBondContact O-N 3.2Å; S38-A41 PolarHBondContact O-N 3.23Å; A41-Q43 VanDerWaalsContact C-N 3.3Å; A41-Q43 PolarHBondContact O-N 3.05Å; A41-G265 CarbonylContact O-C 3.58Å; A41-G265 WeakPolarHBondContact O-CA 3.4Å; A41-E266 HydrophobicContact CB-CG 4.24Å; A41-E266 WeakPolarHBondContact CB-OE1 3.4Å; A41-S269 WeakPolarHBondContact CA-OG 3.39Å; A41-S269 PolarHBondContact N-OG 3.05Å
42	A	88.5	Confident	82.3	Confident	77 Å²	77	87.7 Å²	87.7	64%	0.636	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-2.9	-179.3	0	0	0	0	0	115	S38 Q40 R44	S38-A42 WeakPolarHBondContact O-CB 3.38Å; S38-A42 PolarHBondContact O-N 2.91Å; Q40-A42 VanDerWaalsContact C-N 3.31Å; Q40-A42 PolarHBondContact O-N 2.9Å; A42-R44 VanDerWaalsContact C-N 3.28Å; A42-R44 PolarHBondContact O-N 3.41Å
43	Q	85.9	Confident	85	Confident	136 Å²	136	81 Å²	81	64%	0.636	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-13.6	-175.7	-80.2	171.5	16.9	0	0	114.5	E39 Q40 A41	E39-Q43 WeakPolarHBondContact O-CG 3.49Å; Q40-Q43 PolarHBondContact O-N 3.28Å; A41-Q43 VanDerWaalsContact C-N 3.3Å; A41-Q43 PolarHBondContact O-N 3.05Å
44	R	89.4	Confident	87.4	Confident	106 Å²	106	80.9 Å²	80.9	40%	0.4	48%	0.481	S	S	.	.	S	Bend	trans	-105.9	152.2	-175.5	-66.6	-173.7	173.7	-143	2.5	111.8	A42 F59 E264 C268	A42-R44 VanDerWaalsContact C-N 3.28Å; A42-R44 PolarHBondContact O-N 3.41Å; R44-F59 VanDerWaalsContact NH1-CE1 3.27Å; R44-F59 VanDerWaalsContact NH1-CZ 3.34Å; R44-E264 IonicContact NH1-OE2 2.66Å; R44-C268 PolarHBondContact NH2-SG 2.9Å
45	A	89.2	Confident	89	Confident	84 Å²	84	85.6 Å²	85.6	69%	0.694	50%	0.504	S	S	*	.			trans	-68	145.2	173	0	0	0	0	0	110.8
46	H	92.9	Very high	90.4	Very high	161 Å²	161	91.1 Å²	91.1	75%	0.745	53%	0.532	S	S	*	.			trans	-74.6	143.1	175.9	-58.8	168	0	0	0	111.2	D263	H46-D263 VanDerWaalsContact CA-OD2 3.32Å; H46-D263 WeakPolarHBondContact CA-OD2 3.32Å
47	T	93.3	Very high	90.8	Very high	50 Å²	50	91 Å²	91	31%	0.307	54%	0.537	S	S	.	.			trans	-124.6	-24.4	-175.4	65.6	0	0	0	0	112.8	L49 S50 D263 E264	T47-L49 PolarHBondContact O-N 3.42Å; T47-S50 PolarHBondContact O-OG 3.5Å; T47-D263 PolarHBondContact N-OD1 3.35Å; T47-D263 PolarHBondContact N-OD2 2.9Å; T47-D263 PolarHBondContact OG1-OD1 2.92Å; T47-E264 HydrophobicContact CG2-CG 4.38Å
48	L	94.8	Very high	91.4	Very high	110 Å²	110	97.1 Å²	97.1	58%	0.576	58%	0.576	S	S	*	*	S	Bend	trans	-77.1	-21.1	-165.8	-66.8	-179.7	0	0	0	115.4	S50 D263	L48-S50 PolarHBondContact O-N 2.94Å; L48-S50 VanDerWaalsContact O-N 3.11Å; L48-D263 HydrophobicContact CD1-CB 4Å; L48-D263 HydrophobicContact CG-CB 4.25Å; L48-D263 PolarHBondContact N-OD2 3.31Å; L48-D263 VanDerWaalsContact N-OD2 3.16Å
49	L	96.2	Very high	91.9	Very high	184 Å²	184	97.2 Å²	97.2	96%	0.963	57%	0.569	S	S	*	*	S	Bend	trans	-87.3	50.4	174.6	-64.9	179.1	0	0	0	111.4	T47	T47-L49 PolarHBondContact O-N 3.42Å
50	S	94.9	Very high	92.4	Very high	76 Å²	76	97.2 Å²	97.2	53%	0.531	59%	0.585	S	S	.	*	S	Bend	trans	-144.3	161.3	179.6	72.8	0	0	0	0	111.9	T47 L48	T47-S50 PolarHBondContact O-OG 3.5Å; L48-S50 PolarHBondContact O-N 2.94Å; L48-S50 VanDerWaalsContact O-N 3.11Å
51	P	96.4	Very high	93.1	Very high	110 Å²	110	98.9 Å²	98.9	71%	0.714	59%	0.59	S	S	*	*	S	Bend	trans	-59.7	158.1	172.4	-22.4	34	0	0	0	112.1	S53	P51-S53 PolarHBondContact O-N 3.05Å
52	P	95.8	Very high	93.5	Very high	138 Å²	138	99.2 Å²	99.2	90%	0.896	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-53.4	130.1	-178.5	-27.4	35.1	0	0	0	113.5
53	S	93.8	Very high	93.6	Very high	71 Å²	71	99.8 Å²	99.8	50%	0.497	59%	0.588	S	S	.	*	P	Polyproline II helix	trans	-93.3	151.7	172.2	174.6	0	0	0	0	110.8	P51 N55	P51-S53 PolarHBondContact O-N 3.05Å; S53-N55 VanDerWaalsContact C-N 3.31Å; S53-N55 PolarHBondContact OG-N 3.36Å; S53-N55 VanDerWaalsContact OG-N 3.12Å; S53-N55 PolarHBondContact OG-O 3.34Å
54	A	92.9	Very high	93.5	Very high	102 Å²	102	95.9 Å²	95.9	84%	0.843	57%	0.573	S	S	*	*	S	Bend	trans	-73.5	-25.6	171	0	0	0	0	0	112.6
55	N	91.3	Very high	92.8	Very high	141 Å²	141	94.4 Å²	94.4	75%	0.754	58%	0.584	S	S	*	*			trans	-110.5	114.4	-179.6	-65.4	-12.2	0	0	0	109	S53	S53-N55 VanDerWaalsContact C-N 3.31Å; S53-N55 PolarHBondContact OG-N 3.36Å; S53-N55 VanDerWaalsContact OG-N 3.12Å; S53-N55 PolarHBondContact OG-O 3.34Å
56	N	92.4	Very high	93	Very high	131 Å²	131	94.1 Å²	94.1	70%	0.701	57%	0.574	S	S	*	*			trans	-111.1	133.8	172.3	-60	-48	0	0	0	108.6
57	A	94.5	Very high	93.2	Very high	38 Å²	38	89.2 Å²	89.2	31%	0.314	55%	0.549	S	S	.	.			trans	-65.7	146.2	177.4	0	0	0	0	0	111.3	F59 E264	A57-F59 HydrophobicContact CB-CE1 4.49Å; A57-F59 HydrophobicContact CB-CE2 4.06Å; A57-F59 HydrophobicContact CB-CZ 3.78Å; A57-E264 HydrophobicContact CB-CG 4.06Å; A57-E264 WeakPolarHBondContact CB-OE1 3.44Å
58	T	96.2	Very high	93.5	Very high	136 Å²	136	90.9 Å²	90.9	83%	0.834	56%	0.56	S	S	*	*			trans	-130.3	144.4	166.1	57.8	0	0	0	0	108.5
59	F	96.9	Very high	93.6	Very high	62 Å²	62	86.9 Å²	86.9	27%	0.272	54%	0.539	S	S	.	.			trans	-118.6	128.8	-176.7	-58.5	-72	0	0	0	110.1	R44 A57 E264 Q267 C268 A271	R44-F59 VanDerWaalsContact NH1-CE1 3.27Å; R44-F59 VanDerWaalsContact NH1-CZ 3.34Å; A57-F59 HydrophobicContact CB-CE1 4.49Å; A57-F59 HydrophobicContact CB-CE2 4.06Å; A57-F59 HydrophobicContact CB-CZ 3.78Å; F59-E264 HydrophobicContact CE2-CB 4.26Å; F59-E264 HydrophobicContact CZ-CB 4.05Å; F59-E264 HydrophobicContact CZ-CG 4.41Å; F59-Q267 HydrophobicContact CD2-CB 3.83Å; F59-Q267 HydrophobicContact CE2-CB 3.89Å; F59-C268 HydrophobicContact CD1-CB 4.04Å; F59-C268 HydrophobicContact CD2-CB 4.45Å; F59-C268 HydrophobicContact CE1-CB 3.85Å; F59-C268 HydrophobicContact CE2-CB 4.28Å; F59-C268 HydrophobicContact CG-CB 4.35Å; F59-C268 HydrophobicContact CZ-CB 3.98Å; F59-A271 HydrophobicContact CB-CB 3.82Å
60	A	97.2	Very high	93.7	Very high	93 Å²	93	79.8 Å²	79.8	77%	0.769	50%	0.504	S	S	*	.	P	Polyproline II helix	trans	-75.4	131.7	170	0	0	0	0	0	109.3	V62	A60-V62 PolarHBondContact O-N 2.82Å
61	R	96.7	Very high	93.8	Very high	63 Å²	63	76.2 Å²	76.2	24%	0.238	48%	0.479	C	S	.	.	P	Polyproline II helix	trans	-57.4	138.5	170.1	-171.8	72.9	61.3	-168	-4.3	109.2	V257 A270 A271 V273 S324	R61-V257 PolarHBondContact NH1-O 2.78Å; R61-V257 PolarHBondContact NH2-O 3.13Å; R61-A270 VanDerWaalsContact NH1-C 3.32Å; R61-A270 PolarHBondContact NH1-O 2.85Å; R61-A271 WeakPolarHBondContact CD-O 3.43Å; R61-V273 WeakPolarHBondContact CD-O 3.34Å; R61-S324 PolarHBondContact NE-O 3.39Å; R61-S324 PolarHBondContact NH2-OG 2.79Å
62	V	94.9	Very high	93.8	Very high	15 Å²	15	76.1 Å²	76.1	9%	0.091	47%	0.469	C	S	.	.	P	Polyproline II helix	trans	-59.8	137.4	176.3	-68	0	0	0	0	111.3	A60 V64 R229 A271 H272	A60-V62 PolarHBondContact O-N 2.82Å; V62-V64 PolarHBondContact O-N 3.36Å; V62-R229 VanDerWaalsContact CB-NH1 3.35Å; V62-A271 WeakPolarHBondContact CG1-O 3.35Å; V62-A271 WeakPolarHBondContact CG2-O 3.38Å; V62-A271 PolarHBondContact N-O 3.47Å; V62-H272 HydrophobicContact CG1-CB 4.16Å
63	P	89.7	Confident	93.9	Very high	89 Å²	89	73.1 Å²	73.1	58%	0.578	45%	0.45	S	S	*	.	P	Polyproline II helix	trans	-64.2	136.3	179.5	-21	31.3	0	0	0	110.9	A65 R229	P63-A65 VanDerWaalsContact C-N 3.29Å; P63-A65 PolarHBondContact O-N 3.02Å; P63-R229 PolarHBondContact O-NH1 3.01Å
64	V	84	Confident	94	Very high	53 Å²	53	69.9 Å²	69.9	32%	0.321	43%	0.427	S	S	.	.			trans	-76	88	166.1	-179	0	0	0	0	107.9	V62 S274 P326	V62-V64 PolarHBondContact O-N 3.36Å; V64-S274 WeakPolarHBondContact CG2-O 3.45Å; V64-P326 HydrophobicContact CG2-CG 3.8Å
65	A	74.3	Confident	94.2	Very high	76 Å²	76	70 Å²	70	63%	0.628	41%	0.405	S	S	*	.			trans	-67.7	-43.2	-170.9	0	0	0	0	0	111.3	P63	P63-A65 VanDerWaalsContact C-N 3.29Å; P63-A65 PolarHBondContact O-N 3.02Å
66	T	93.7	Very high	94.3	Very high	78 Å²	78	64.6 Å²	64.6	48%	0.479	38%	0.376	S	S	.	.			trans	-140.3	131.9	176.5	58.1	0	0	0	0	112.1	D372	T66-D372 PolarHBondContact N-OD1 3.11Å; T66-D372 VanDerWaalsContact N-OD1 3.12Å; T66-D372 PolarHBondContact O-N 2.89Å; T66-D372 VanDerWaalsContact OG1-CA 3.31Å; T66-D372 WeakPolarHBondContact OG1-CA 3.34Å; T66-D372 PolarHBondContact OG1-OD1 3.45Å
67	Y	97.8	Very high	94	Very high	57 Å²	57	61.6 Å²	61.6	22%	0.224	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	137.3	173.7	175	-107.8	0	0	0	109.9	N69 R275 Q361 Y367 A369 T370 I371	Y67-N69 HydrophobicContact CE1-CB 4.07Å; Y67-N69 WeakPolarHBondContact OH-CB 3.34Å; Y67-R275 VanDerWaalsContact CD2-NH2 3.26Å; Y67-R275 VanDerWaalsContact CG-NH1 3.35Å; Y67-Q361 PolarHBondContact OH-NE2 3.5Å; Y67-Y367 PolarHBondContact OH-OH 3.04Å; Y67-A369 HydrophobicContact CE2-CB 3.73Å; Y67-T370 WeakPolarHBondContact CA-O 3.3Å; Y67-I371 HydrophobicContact CD2-CG1 4.21Å; Y67-I371 HydrophobicContact CE2-CG1 4.4Å
68	T	98.3	Very high	93.5	Very high	86 Å²	86	69.1 Å²	69.1	53%	0.528	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	115	171.9	-57.9	0	0	0	0	109.6	S70 A369 T370	T68-S70 PolarHBondContact O-N 3.11Å; T68-A369 CarbonylContact O-C 3.59Å; T68-A369 VanDerWaalsContact O-CA 3.25Å; T68-A369 WeakPolarHBondContact O-CA 3.15Å; T68-A369 WeakPolarHBondContact O-CB 3.34Å; T68-T370 PolarHBondContact N-O 2.92Å; T68-T370 PolarHBondContact O-N 3.12Å
69	N	98.2	Very high	93	Very high	26 Å²	26	69.4 Å²	69.4	14%	0.139	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	118.2	168.4	-170.9	-39.6	0	0	0	109.2	Y67 S71 Q361	Y67-N69 HydrophobicContact CE1-CB 4.07Å; Y67-N69 WeakPolarHBondContact OH-CB 3.34Å; N69-S71 WeakPolarHBondContact OD1-CB 3.11Å; N69-S71 PolarHBondContact OD1-N 3.08Å; N69-S71 PolarHBondContact OD1-OG 2.77Å; N69-S71 VanDerWaalsContact OD1-OG 3.04Å; N69-Q361 PolarHBondContact ND2-NE2 2.98Å; N69-Q361 VanDerWaalsContact ND2-NE2 3.14Å
70	S	97.5	Very high	92.7	Very high	35 Å²	35	68.5 Å²	68.5	25%	0.245	39%	0.392	C	S	.	.			trans	-115.9	23.6	-179.8	61.5	0	0	0	0	112.2	T68 Q72 P73 Q368	T68-S70 PolarHBondContact O-N 3.11Å; S70-Q72 PolarHBondContact O-N 3.19Å; S70-P73 WeakPolarHBondContact O-CD 3.34Å; S70-Q368 CarbonylContact C-O 3.57Å; S70-Q368 PolarHBondContact N-O 2.72Å; S70-Q368 WeakPolarHBondContact OG-CG 3.29Å; S70-Q368 PolarHBondContact OG-NE2 3.35Å; S70-Q368 PolarHBondContact OG-O 3.47Å
71	S	97.3	Very high	92.3	Very high	0 Å²	0	70 Å²	70	0%	0	38%	0.382	C	S	.	.			trans	-84.8	15.7	-179.3	87.9	0	0	0	0	113.9	N69 P73 F74 R75 T364 Q368	N69-S71 WeakPolarHBondContact OD1-CB 3.11Å; N69-S71 PolarHBondContact OD1-N 3.08Å; N69-S71 PolarHBondContact OD1-OG 2.77Å; N69-S71 VanDerWaalsContact OD1-OG 3.04Å; S71-P73 VanDerWaalsContact C-N 3.32Å; S71-F74 WeakPolarHBondContact O-CB 3.3Å; S71-F74 PolarHBondContact O-N 3.03Å; S71-R75 PolarHBondContact O-N 3.16Å; S71-T364 WeakPolarHBondContact CB-OG1 3.37Å; S71-T364 PolarHBondContact OG-OG1 2.86Å; S71-Q368 PolarHBondContact N-O 2.84Å
72	Q	97.1	Very high	91.9	Very high	108 Å²	108	72.2 Å²	72.2	51%	0.505	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-53.9	-37.8	178.4	-54.8	-56.7	-31.1	0	0	114	S70 F74 R75	S70-Q72 PolarHBondContact O-N 3.19Å; Q72-F74 PolarHBondContact O-N 3.02Å; Q72-F74 VanDerWaalsContact O-N 3.1Å; Q72-R75 PolarHBondContact O-N 3.3Å
73	P	96.6	Very high	91.7	Very high	75 Å²	75	75.2 Å²	75.2	49%	0.487	42%	0.417	S	S	.	.	G	3₁₀ helix	trans	-59.8	-20.9	175.1	-25.3	36.2	0	0	0	114.4	S70 S71 P427	S70-P73 WeakPolarHBondContact O-CD 3.34Å; S71-P73 VanDerWaalsContact C-N 3.32Å; P73-P427 HydrophobicContact CB-CB 4.36Å
74	F	97.8	Very high	91.8	Very high	4 Å²	4	78.2 Å²	78.2	2%	0.018	42%	0.423	C	S	.	.	G	3₁₀ helix	trans	-96.3	-8.5	178.9	-53	-57.5	0	0	0	113.3	S71 Q72 P342 Q344 T364 P366 Q368 I409 P427 F428	S71-F74 WeakPolarHBondContact O-CB 3.3Å; S71-F74 PolarHBondContact O-N 3.03Å; Q72-F74 PolarHBondContact O-N 3.02Å; Q72-F74 VanDerWaalsContact O-N 3.1Å; F74-P342 HydrophobicContact CB-CB 3.83Å; F74-P342 HydrophobicContact CB-CG 4.35Å; F74-P342 HydrophobicContact CD1-CB 4.27Å; F74-P342 HydrophobicContact CG-CB 4.47Å; F74-P342 WeakPolarHBondContact O-CB 3.45Å; F74-P342 VanDerWaalsContact O-CG 3.24Å; F74-P342 WeakPolarHBondContact O-CG 3.24Å; F74-Q344 PolarHBondContact O-NE2 3.25Å; F74-T364 HydrophobicContact CB-CG2 4.3Å; F74-P366 HydrophobicContact CD1-CB 4.38Å; F74-P366 HydrophobicContact CD1-CG 4.2Å; F74-P366 HydrophobicContact CD2-CB 4.17Å; F74-P366 WeakPolarHBondContact CD2-O 3.11Å; F74-P366 HydrophobicContact CE1-CB 4.15Å; F74-P366 HydrophobicContact CE1-CG 4.01Å; F74-P366 HydrophobicContact CE2-CB 3.94Å; F74-P366 HydrophobicContact CG-CB 4.39Å; F74-P366 HydrophobicContact CZ-CB 3.93Å; F74-P366 HydrophobicContact CZ-CG 4.27Å; F74-Q368 HydrophobicContact CE2-CB 4.41Å; F74-I409 HydrophobicContact CE1-CD1 4.43Å; F74-I409 HydrophobicContact CZ-CD1 4Å; F74-P427 HydrophobicContact CD1-CB 4.2Å; F74-P427 HydrophobicContact CE1-CB 4.04Å; F74-P427 WeakPolarHBondContact CE1-O 3.33Å; F74-F428 HydrophobicContact CD1-CE1 4.39Å; F74-F428 HydrophobicContact CE1-CD1 4.09Å; F74-F428 HydrophobicContact CE1-CE1 4.25Å
75	R	96.8	Very high	92.3	Very high	103 Å²	103	80.7 Å²	80.7	39%	0.389	43%	0.427	S	S	.	.			trans	-83.7	119.5	174.4	-71.7	-172.7	177.3	-172.7	-2.8	110	S71 Q72 T364	S71-R75 PolarHBondContact O-N 3.16Å; Q72-R75 PolarHBondContact O-N 3.3Å; R75-T364 HydrophobicContact CG-CG2 3.63Å
76	L	93.5	Very high	93.1	Very high	28 Å²	28	80.1 Å²	80.1	15%	0.147	42%	0.423	C	S	.	.			trans	-96.9	111.9	177.7	-59.1	177.8	0	0	0	108.8	R79 P342 Y420 F422	L76-R79 HydrophobicContact CB-CG 3.87Å; L76-R79 HydrophobicContact CD1-CG 4.42Å; L76-P342 HydrophobicContact CD1-CG 4.1Å; L76-P342 HydrophobicContact CD2-CG 4.34Å; L76-P342 HydrophobicContact CG-CG 4.08Å; L76-Y420 HydrophobicContact CD1-CD1 4.12Å; L76-Y420 HydrophobicContact CD1-CD2 3.96Å; L76-Y420 HydrophobicContact CD1-CG 3.73Å; L76-Y420 HydrophobicContact CD2-CD1 3.98Å; L76-Y420 HydrophobicContact CD2-CE1 4.19Å; L76-Y420 HydrophobicContact CD2-CG 4.44Å; L76-F422 HydrophobicContact CD2-CE1 3.66Å; L76-F422 HydrophobicContact CD2-CZ 3.83Å
77	G	85.9	Confident	93	Very high	69 Å²	69	81 Å²	81	71%	0.711	42%	0.421	S	S	*	.	S	Bend	trans	-71.1	-103.3	170.5	0	0	0	0	0	110.9	R79	G77-R79 PolarHBondContact O-N 3.47Å
78	E	83.1	Confident	92.9	Very high	195 Å²	195	78.3 Å²	78.3	91%	0.911	41%	0.411	S	S	*	.	S	Bend	trans	-71.5	119.6	174	-66.2	-171.5	172	0	0	111.2
79	R	86.4	Confident	92.8	Very high	142 Å²	142	77 Å²	77	54%	0.536	40%	0.396	S	S	.	.			trans	-99.5	122.4	-178.6	-71.6	178.5	-83.5	179.2	-4	110.1	L76 G77 F81 Y420	L76-R79 HydrophobicContact CB-CG 3.87Å; L76-R79 HydrophobicContact CD1-CG 4.42Å; G77-R79 PolarHBondContact O-N 3.47Å; R79-F81 HydrophobicContact CB-CE2 3.96Å; R79-Y420 HydrophobicContact CB-CE2 4.36Å
80	S	89.2	Confident	92.6	Very high	43 Å²	43	78 Å²	78	30%	0.301	41%	0.409	S	S	.	.			trans	-127.5	115.8	177.2	-177.6	0	0	0	0	110.6	S82 Y420	S80-S82 PolarHBondContact OG-OG 3.03Å; S80-Y420 PolarHBondContact N-OH 3.27Å; S80-Y420 PolarHBondContact O-OH 3.4Å
81	F	88.8	Confident	92.5	Very high	126 Å²	126	77.3 Å²	77.3	55%	0.553	40%	0.403	S	S	*	.			trans	-98.4	5.5	-177.7	-65.3	-87.1	0	0	0	113.7	R79 R83 Y420	R79-F81 HydrophobicContact CB-CE2 3.96Å; F81-R83 PolarHBondContact O-N 3.32Å; F81-R83 VanDerWaalsContact O-N 3.16Å; F81-Y420 HydrophobicContact CD1-CD2 4.45Å; F81-Y420 AromaticContact CE1-CD2 3.93Å; F81-Y420 HydrophobicContact CE1-CD2 3.93Å; F81-Y420 HydrophobicContact CE1-CE2 4.34Å; F81-Y420 HydrophobicContact CZ-CD2 4.2Å; F81-Y420 HydrophobicContact CZ-CE2 4.4Å
82	S	90	Very high	92.6	Very high	109 Å²	109	77.3 Å²	77.3	76%	0.762	40%	0.403	S	S	*	.			trans	-72	0.4	179.2	54.1	0	0	0	0	114.7	S80	S80-S82 PolarHBondContact OG-OG 3.03Å
83	R	89.7	Confident	92.6	Very high	77 Å²	77	72.4 Å²	72.4	29%	0.291	38%	0.38	S	S	.	.	S	Bend	trans	-99.2	150.4	-174.7	-62.3	-172.9	-177.7	117.9	1.4	111.7	F81 P421	F81-R83 PolarHBondContact O-N 3.32Å; F81-R83 VanDerWaalsContact O-N 3.16Å; R83-P421 HydrophobicContact CB-CB 4.28Å; R83-P421 HydrophobicContact CB-CG 4.43Å
84	Q	91.7	Very high	92.6	Very high	153 Å²	153	73.8 Å²	73.8	72%	0.715	38%	0.382	S	S	*	.			trans	-86.9	155.5	173.3	-64.7	-178.6	-17.8	0	0	111.6	A86	Q84-A86 VanDerWaalsContact C-N 3.29Å; Q84-A86 PolarHBondContact O-N 3.48Å
85	Y	93.8	Very high	92.6	Very high	104 Å²	104	76.4 Å²	76.4	41%	0.408	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-13.8	-178.1	-71.2	-60.9	0	0	0	114.9	H87 I88 P414 C419 P421	Y85-H87 PolarHBondContact O-N 2.99Å; Y85-H87 VanDerWaalsContact O-N 3.08Å; Y85-I88 WeakPolarHBondContact O-CG2 3.49Å; Y85-I88 PolarHBondContact O-N 3.38Å; Y85-P414 HydrophobicContact CD1-CB 3.64Å; Y85-P414 HydrophobicContact CD1-CG 3.6Å; Y85-P414 HydrophobicContact CD2-CB 4.47Å; Y85-P414 HydrophobicContact CD2-CG 4.46Å; Y85-P414 HydrophobicContact CE1-CB 3.72Å; Y85-P414 HydrophobicContact CE1-CG 4.22Å; Y85-P414 HydrophobicContact CG-CB 4.05Å; Y85-P414 HydrophobicContact CG-CG 3.75Å; Y85-C419 WeakPolarHBondContact CE1-O 3.25Å; Y85-C419 PolarHBondContact OH-O 2.96Å; Y85-P421 HydrophobicContact CD1-CB 3.94Å; Y85-P421 HydrophobicContact CE1-CB 3.87Å
86	A	91.1	Very high	92.7	Very high	65 Å²	65	71.6 Å²	71.6	54%	0.537	38%	0.377	S	S	.	.	H	α-helix	trans	-55.2	-33.1	-180	0	0	0	0	0	113.3	Q84 I88 Y89 A90	Q84-A86 VanDerWaalsContact C-N 3.29Å; Q84-A86 PolarHBondContact O-N 3.48Å; A86-I88 VanDerWaalsContact C-N 3.31Å; A86-I88 PolarHBondContact O-N 2.85Å; A86-Y89 PolarHBondContact O-N 2.76Å; A86-A90 PolarHBondContact O-N 3.49Å
87	H	92.7	Very high	92.9	Very high	96 Å²	96	71.7 Å²	71.7	44%	0.444	38%	0.375	S	S	.	.	H	α-helix	trans	-64.3	-31.1	-179.9	-62.9	-66.8	0	0	0	113.8	Y85 T91	Y85-H87 PolarHBondContact O-N 2.99Å; Y85-H87 VanDerWaalsContact O-N 3.08Å; H87-T91 WeakPolarHBondContact O-CB 3.24Å; H87-T91 PolarHBondContact O-N 2.57Å; H87-T91 PolarHBondContact O-OG1 3.11Å
88	I	95	Very high	93.5	Very high	1 Å²	1	71.9 Å²	71.9	1%	0.005	36%	0.364	C	S	.	.	H	α-helix	trans	-69.9	-44.5	-178.6	-158.6	174.1	0	0	0	110.7	Y85 A86 T91 R92 P414 F422	Y85-I88 WeakPolarHBondContact O-CG2 3.49Å; Y85-I88 PolarHBondContact O-N 3.38Å; A86-I88 VanDerWaalsContact C-N 3.31Å; A86-I88 PolarHBondContact O-N 2.85Å; I88-T91 PolarHBondContact O-N 3.37Å; I88-R92 VanDerWaalsContact O-CB 3.27Å; I88-R92 WeakPolarHBondContact O-CB 3.39Å; I88-R92 PolarHBondContact O-N 2.87Å; I88-P414 HydrophobicContact CG2-CG 3.98Å; I88-F422 HydrophobicContact CD1-CB 4.31Å; I88-F422 HydrophobicContact CD1-CD2 4.12Å; I88-F422 HydrophobicContact CG1-CB 4.3Å; I88-F422 PolarHBondContact N-O 2.96Å
89	Y	95.8	Very high	94.2	Very high	57 Å²	57	65.9 Å²	65.9	22%	0.224	34%	0.335	C	S	.	.	H	α-helix	trans	-65.5	-43.4	178.2	-69.3	-68.6	0	0	0	111.9	A86 T91 R92 L93 T131 P414	A86-Y89 PolarHBondContact O-N 2.76Å; Y89-T91 PolarHBondContact O-N 3.11Å; Y89-R92 PolarHBondContact O-N 2.87Å; Y89-L93 WeakPolarHBondContact O-CB 3.32Å; Y89-L93 PolarHBondContact O-N 2.63Å; Y89-T131 HydrophobicContact CD1-CG2 4.26Å; Y89-P414 HydrophobicContact CE2-CG 3.98Å; Y89-P414 WeakPolarHBondContact OH-CD 3.45Å
90	A	94.9	Very high	94.7	Very high	48 Å²	48	59.1 Å²	59.1	40%	0.397	31%	0.309	S	S	.	.	H	α-helix	trans	-59.5	-47.4	175.5	0	0	0	0	0	111.4	A86 R92 L93 I94	A86-A90 PolarHBondContact O-N 3.49Å; A90-R92 PolarHBondContact O-N 2.82Å; A90-L93 PolarHBondContact O-N 2.82Å; A90-I94 WeakPolarHBondContact O-CD1 3.43Å; A90-I94 WeakPolarHBondContact O-CG1 3.21Å; A90-I94 PolarHBondContact O-N 2.9Å
91	T	95.9	Very high	95.1	Very high	20 Å²	20	59.9 Å²	59.9	12%	0.123	31%	0.308	C	S	.	.	H	α-helix	trans	-62.8	-44.5	178.1	-56.5	0	0	0	0	111.3	H87 I88 Y89 I94 Q95 K424	H87-T91 WeakPolarHBondContact O-CB 3.24Å; H87-T91 PolarHBondContact O-N 2.57Å; H87-T91 PolarHBondContact O-OG1 3.11Å; I88-T91 PolarHBondContact O-N 3.37Å; Y89-T91 PolarHBondContact O-N 3.11Å; T91-I94 PolarHBondContact O-N 3.19Å; T91-Q95 HydrophobicContact CG2-CG 4.35Å; T91-Q95 WeakPolarHBondContact O-CB 3.45Å; T91-Q95 VanDerWaalsContact O-CG 3.3Å; T91-Q95 WeakPolarHBondContact O-CG 3.28Å; T91-Q95 PolarHBondContact O-N 2.89Å; T91-K424 WeakPolarHBondContact CG2-O 3.48Å
92	R	98	Very high	95.5	Very high	0 Å²	0	58 Å²	58	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-59.5	-48.4	178.8	-175.4	-176.1	-63.3	172.6	1.1	111.4	I88 Y89 A90 I94 Q95 M96 G191 V193 H408 P411 A413 D426 I429	I88-R92 VanDerWaalsContact O-CB 3.27Å; I88-R92 WeakPolarHBondContact O-CB 3.39Å; I88-R92 PolarHBondContact O-N 2.87Å; Y89-R92 PolarHBondContact O-N 2.87Å; A90-R92 PolarHBondContact O-N 2.82Å; R92-I94 PolarHBondContact O-N 3.15Å; R92-Q95 PolarHBondContact O-N 2.97Å; R92-M96 HydrophobicContact CG-CG 4.28Å; R92-M96 VanDerWaalsContact O-CB 3.27Å; R92-M96 WeakPolarHBondContact O-CB 3.32Å; R92-M96 WeakPolarHBondContact O-CG 3.09Å; R92-M96 PolarHBondContact O-N 2.91Å; R92-G191 PolarHBondContact NH1-O 3.34Å; R92-V193 HydrophobicContact CG-CG2 3.91Å; R92-H408 PolarHBondContact NE-NE2 2.8Å; R92-H408 PolarHBondContact NH2-CE1 3.47Å; R92-H408 PolarHBondContact NH2-NE2 3.17Å; R92-P411 PolarHBondContact NH1-O 3.06Å; R92-A413 PolarHBondContact NH1-O 2.87Å; R92-A413 PolarHBondContact NH2-O 3.24Å; R92-D426 HydrophobicContact CB-CB 4.5Å; R92-D426 IonicContact CZ-OD2 3.45Å; R92-D426 VanDerWaalsContact CZ-OD2 3.25Å; R92-D426 IonicContact NE-OD2 3.4Å; R92-D426 PolarHBondContact NE-OD2 2.78Å; R92-D426 IonicContact NH2-OD2 3.16Å; R92-D426 PolarHBondContact NH2-OD2 3.27Å; R92-I429 HydrophobicContact CG-CD1 4.22Å
93	L	97.7	Very high	95.8	Very high	5 Å²	5	54.2 Å²	54.2	3%	0.026	27%	0.273	C	S	.	.	H	α-helix	trans	-62.1	-45	178.9	-176	60.1	0	0	0	111.5	Y89 A90 Q95 M96 R97 V129 D172 E173 V193	Y89-L93 WeakPolarHBondContact O-CB 3.32Å; Y89-L93 PolarHBondContact O-N 2.63Å; A90-L93 PolarHBondContact O-N 2.82Å; L93-Q95 VanDerWaalsContact C-N 3.34Å; L93-Q95 PolarHBondContact O-N 3.09Å; L93-M96 PolarHBondContact O-N 2.88Å; L93-R97 VanDerWaalsContact O-CB 3.24Å; L93-R97 WeakPolarHBondContact O-CB 3.35Å; L93-R97 PolarHBondContact O-N 3.25Å; L93-V129 HydrophobicContact CD1-CG1 4.23Å; L93-D172 WeakPolarHBondContact CD2-OD1 3.28Å; L93-E173 HydrophobicContact CD2-CG 4.37Å; L93-V193 HydrophobicContact CD1-CG1 3.69Å
94	I	97.3	Very high	96.1	Very high	104 Å²	104	50.6 Å²	50.6	53%	0.533	26%	0.259	S	S	.	.	H	α-helix	trans	-59.7	-43.7	177	-68.9	164.5	0	0	0	111.4	A90 T91 R92 P98	A90-I94 WeakPolarHBondContact O-CD1 3.43Å; A90-I94 WeakPolarHBondContact O-CG1 3.21Å; A90-I94 PolarHBondContact O-N 2.9Å; T91-I94 PolarHBondContact O-N 3.19Å; R92-I94 PolarHBondContact O-N 3.15Å; I94-P98 WeakPolarHBondContact O-CD 3.42Å
95	Q	98	Very high	96.4	Very high	60 Å²	60	47.8 Å²	47.8	28%	0.28	25%	0.246	S	C	.	.	H	α-helix	trans	-71.8	-35.4	-179.4	-71.3	-176.2	-48.5	0	0	112.7	T91 R92 L93 F99 D426 I429	T91-Q95 HydrophobicContact CG2-CG 4.35Å; T91-Q95 WeakPolarHBondContact O-CB 3.45Å; T91-Q95 VanDerWaalsContact O-CG 3.3Å; T91-Q95 WeakPolarHBondContact O-CG 3.28Å; T91-Q95 PolarHBondContact O-N 2.89Å; R92-Q95 PolarHBondContact O-N 2.97Å; L93-Q95 VanDerWaalsContact C-N 3.34Å; L93-Q95 PolarHBondContact O-N 3.09Å; Q95-F99 VanDerWaalsContact O-CE2 3.27Å; Q95-F99 WeakPolarHBondContact O-CE2 3.27Å; Q95-D426 VanDerWaalsContact OE1-N 3.09Å; Q95-I429 HydrophobicContact CB-CD1 3.67Å
96	M	98.3	Very high	96.4	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.01	25%	0.252	C	S	.	.	H	α-helix	trans	-82.8	-27.1	-177.3	-71.2	-67.9	-74.9	0	0	113.6	R92 L93 F99 L100 V193 A214 V406 R407 I429	R92-M96 HydrophobicContact CG-CG 4.28Å; R92-M96 VanDerWaalsContact O-CB 3.27Å; R92-M96 WeakPolarHBondContact O-CB 3.32Å; R92-M96 WeakPolarHBondContact O-CG 3.09Å; R92-M96 PolarHBondContact O-N 2.91Å; L93-M96 PolarHBondContact O-N 2.88Å; M96-F99 WeakPolarHBondContact O-CB 3.36Å; M96-F99 PolarHBondContact O-N 2.92Å; M96-F99 VanDerWaalsContact O-N 3.11Å; M96-F99 HydrophobicContact SD-CD2 4.09Å; M96-L100 HydrophobicContact CB-CD1 4.27Å; M96-L100 PolarHBondContact O-N 3.33Å; M96-L100 VanDerWaalsContact O-N 3.11Å; M96-V193 HydrophobicContact CB-CB 4.16Å; M96-V193 HydrophobicContact CB-CG1 3.94Å; M96-V193 HydrophobicContact CB-CG2 4.47Å; M96-V193 HydrophobicContact CE-CB 4.46Å; M96-V193 HydrophobicContact CG-CB 4.35Å; M96-V193 HydrophobicContact CG-CG2 4.35Å; M96-A214 HydrophobicContact CE-CB 3.7Å; M96-V406 WeakPolarHBondContact CE-O 3.27Å; M96-R407 HydrophobicContact CE-CB 4.13Å; M96-I429 HydrophobicContact CG-CD1 3.87Å; M96-I429 HydrophobicContact CG-CG1 4.36Å; M96-I429 HydrophobicContact SD-CD1 4.14Å; M96-I429 HydrophobicContact SD-CG1 4.14Å; M96-I429 HydrophobicContact SD-CG2 3.86Å
97	R	98.1	Very high	96.7	Very high	30 Å²	30	50.1 Å²	50.1	11%	0.113	25%	0.249	C	C	.	.	H	α-helix	trans	-53.3	-49.7	-175.4	-176.4	-174.2	-59.7	-94.1	6	113.2	L93 F99 L100 E101 V129 D172 E173	L93-R97 VanDerWaalsContact O-CB 3.24Å; L93-R97 WeakPolarHBondContact O-CB 3.35Å; L93-R97 PolarHBondContact O-N 3.25Å; R97-F99 VanDerWaalsContact C-N 3.26Å; R97-F99 PolarHBondContact O-N 2.92Å; R97-L100 PolarHBondContact O-N 3.32Å; R97-E101 WeakPolarHBondContact CD-OE1 3.37Å; R97-E101 HydrophobicContact CG-CG 4.15Å; R97-E101 WeakPolarHBondContact CG-OE1 3.28Å; R97-E101 WeakPolarHBondContact O-CB 3.5Å; R97-E101 WeakPolarHBondContact O-CG 3.23Å; R97-E101 PolarHBondContact O-N 2.84Å; R97-V129 HydrophobicContact CB-CG1 4.43Å; R97-V129 HydrophobicContact CG-CG1 4.36Å; R97-D172 IonicContact CZ-OD1 2.84Å; R97-D172 IonicContact NH2-OD1 3.77Å; R97-D172 PolarHBondContact NH2-OD1 2.82Å; R97-D172 IonicContact NH2-OD2 2.85Å; R97-E173 IonicContact CZ-OE1 3.9Å; R97-E173 IonicContact NE-OE1 3.87Å; R97-E173 IonicContact NH2-OE1 2.78Å; R97-E173 PolarHBondContact NH2-OE1 2.83Å
98	P	97.7	Very high	96.9	Very high	73 Å²	73	48.2 Å²	48.2	47%	0.474	24%	0.238	S	C	.	.	H	α-helix	trans	-62.1	-31.9	-180	-22.9	34.4	0	0	0	113.7	I94 N102	I94-P98 WeakPolarHBondContact O-CD 3.42Å; P98-N102 WeakPolarHBondContact O-CB 3.2Å; P98-N102 PolarHBondContact O-N 2.84Å
99	F	97.8	Very high	96.9	Very high	69 Å²	69	49.7 Å²	49.7	30%	0.303	25%	0.254	S	S	.	.	H	α-helix	trans	-70.9	-44.4	178	-52.8	-39.8	0	0	0	111.2	Q95 M96 R97 N102 R103 A214 I429	Q95-F99 VanDerWaalsContact O-CE2 3.27Å; Q95-F99 WeakPolarHBondContact O-CE2 3.27Å; M96-F99 WeakPolarHBondContact O-CB 3.36Å; M96-F99 PolarHBondContact O-N 2.92Å; M96-F99 VanDerWaalsContact O-N 3.11Å; M96-F99 HydrophobicContact SD-CD2 4.09Å; R97-F99 VanDerWaalsContact C-N 3.26Å; R97-F99 PolarHBondContact O-N 2.92Å; F99-N102 PolarHBondContact O-N 3.07Å; F99-R103 WeakPolarHBondContact O-CG 3.48Å; F99-R103 PolarHBondContact O-N 3.03Å; F99-A214 HydrophobicContact CB-CB 4.1Å; F99-I429 HydrophobicContact CE2-CG2 4.44Å
100	L	98.2	Very high	96.6	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-70.6	-38.5	-179.1	-73.3	165.9	0	0	0	112.3	M96 R97 R103 A104 V129 V193 A195 F213 A214	M96-L100 HydrophobicContact CB-CD1 4.27Å; M96-L100 PolarHBondContact O-N 3.33Å; M96-L100 VanDerWaalsContact O-N 3.11Å; R97-L100 PolarHBondContact O-N 3.32Å; L100-R103 PolarHBondContact O-N 3.34Å; L100-A104 VanDerWaalsContact O-CB 3.23Å; L100-A104 WeakPolarHBondContact O-CB 3.47Å; L100-A104 PolarHBondContact O-N 3.06Å; L100-V129 HydrophobicContact CB-CG1 3.99Å; L100-V129 HydrophobicContact CB-CG2 4Å; L100-V129 HydrophobicContact CD1-CG1 3.67Å; L100-V129 HydrophobicContact CG-CG1 4.49Å; L100-V193 HydrophobicContact CD1-CB 4.08Å; L100-V193 HydrophobicContact CD1-CG1 3.48Å; L100-V193 VanDerWaalsContact CD1-CG1 3.48Å; L100-A195 HydrophobicContact CB-CB 4.4Å; L100-A195 HydrophobicContact CD2-CB 4.5Å; L100-F213 VanDerWaalsContact CD2-C 3.47Å; L100-A214 HydrophobicContact CD2-CB 4.1Å; L100-A214 VanDerWaalsContact CD2-N 3.34Å; L100-A214 HydrophobicContact CG-CB 4.31Å
101	E	97.6	Very high	96.4	Very high	59 Å²	59	53.9 Å²	53.9	28%	0.276	30%	0.3	S	S	.	.	H	α-helix	trans	-61.9	-44.3	174.1	-72.5	176.8	176.9	0	0	111.5	R97 A104 Q105 V114 V129	R97-E101 WeakPolarHBondContact CD-OE1 3.37Å; R97-E101 HydrophobicContact CG-CG 4.15Å; R97-E101 WeakPolarHBondContact CG-OE1 3.28Å; R97-E101 WeakPolarHBondContact O-CB 3.5Å; R97-E101 WeakPolarHBondContact O-CG 3.23Å; R97-E101 PolarHBondContact O-N 2.84Å; E101-A104 PolarHBondContact O-N 3.37Å; E101-Q105 VanDerWaalsContact O-CG 3.31Å; E101-Q105 WeakPolarHBondContact O-CG 3.21Å; E101-Q105 PolarHBondContact O-N 3.45Å; E101-V114 HydrophobicContact CG-CG1 4.06Å; E101-V114 HydrophobicContact CG-CG2 4.43Å; E101-V129 HydrophobicContact CG-CG2 4.2Å
102	N	96.4	Very high	96.2	Very high	85 Å²	85	53.8 Å²	53.8	46%	0.455	30%	0.3	S	S	.	.	H	α-helix	trans	-64.7	-44.4	176.9	-168.1	-15.4	0	0	0	111.4	P98 F99 A104 Q105 Q106	P98-N102 WeakPolarHBondContact O-CB 3.2Å; P98-N102 PolarHBondContact O-N 2.84Å; F99-N102 PolarHBondContact O-N 3.07Å; N102-A104 PolarHBondContact O-N 3.32Å; N102-Q105 PolarHBondContact O-N 3.45Å; N102-Q106 VanDerWaalsContact O-CG 3.32Å; N102-Q106 WeakPolarHBondContact O-CG 3.27Å; N102-Q106 PolarHBondContact O-N 3.34Å; N102-Q106 PolarHBondContact OD1-NE2 2.9Å
103	R	96.1	Very high	96	Very high	31 Å²	31	55.4 Å²	55.4	12%	0.117	32%	0.316	C	S	.	.	H	α-helix	trans	-63.2	-40.9	175.7	-72	-65.8	-176.2	-147.7	-3	112.4	F99 L100 Q105 Q106 H107 A214 E454	F99-R103 WeakPolarHBondContact O-CG 3.48Å; F99-R103 PolarHBondContact O-N 3.03Å; L100-R103 PolarHBondContact O-N 3.34Å; R103-Q105 PolarHBondContact O-N 3.01Å; R103-Q106 PolarHBondContact O-N 3.13Å; R103-H107 VanDerWaalsContact O-CB 3.26Å; R103-H107 WeakPolarHBondContact O-CB 3.49Å; R103-H107 PolarHBondContact O-N 3.21Å; R103-A214 PolarHBondContact NE-O 3.06Å; R103-E454 IonicContact CZ-OE1 3.18Å; R103-E454 IonicContact NH1-OE1 3.49Å; R103-E454 IonicContact NH2-OE1 3.06Å; R103-E454 PolarHBondContact NH2-OE1 3.48Å
104	A	97.3	Very high	95.9	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-61.5	-43.1	175.5	0	0	0	0	0	111.9	L100 E101 N102 Q106 H107 W108 A195	L100-A104 VanDerWaalsContact O-CB 3.23Å; L100-A104 WeakPolarHBondContact O-CB 3.47Å; L100-A104 PolarHBondContact O-N 3.06Å; E101-A104 PolarHBondContact O-N 3.37Å; N102-A104 PolarHBondContact O-N 3.32Å; A104-Q106 VanDerWaalsContact C-N 3.34Å; A104-Q106 PolarHBondContact O-N 2.74Å; A104-H107 PolarHBondContact O-N 3.41Å; A104-W108 HydrophobicContact CB-CE3 3.7Å; A104-W108 HydrophobicContact CB-CZ3 3.68Å; A104-W108 PolarHBondContact O-N 2.75Å; A104-A195 HydrophobicContact CB-CB 4.21Å
105	Q	96.5	Very high	95.9	Very high	94 Å²	94	54.3 Å²	54.3	44%	0.439	31%	0.311	S	S	.	.	H	α-helix	trans	-64.3	-36.7	175.7	-72.9	173.6	8.6	0	0	112.7	E101 N102 R103 G109 V112	E101-Q105 VanDerWaalsContact O-CG 3.31Å; E101-Q105 WeakPolarHBondContact O-CG 3.21Å; E101-Q105 PolarHBondContact O-N 3.45Å; N102-Q105 PolarHBondContact O-N 3.45Å; R103-Q105 PolarHBondContact O-N 3.01Å; Q105-G109 CarbonylContact O-C 3.58Å; Q105-G109 WeakPolarHBondContact O-CA 3.11Å; Q105-G109 PolarHBondContact O-N 2.9Å; Q105-V112 HydrophobicContact CG-CG1 4.16Å
106	Q	94.8	Very high	95.7	Very high	113 Å²	113	54.8 Å²	54.8	53%	0.528	31%	0.312	S	S	.	.	H	α-helix	trans	-70.7	-37.6	175	-68.3	171.9	14.6	0	0	112	N102 R103 A104	N102-Q106 VanDerWaalsContact O-CG 3.32Å; N102-Q106 WeakPolarHBondContact O-CG 3.27Å; N102-Q106 PolarHBondContact O-N 3.34Å; N102-Q106 PolarHBondContact OD1-NE2 2.9Å; R103-Q106 PolarHBondContact O-N 3.13Å; A104-Q106 VanDerWaalsContact C-N 3.34Å; A104-Q106 PolarHBondContact O-N 2.74Å
107	H	96.4	Very high	95.6	Very high	105 Å²	105	54.8 Å²	54.8	49%	0.486	31%	0.312	S	S	.	.	H	α-helix	trans	-82	-42.8	-173.9	-167.8	-161	0	0	0	113	R103 A104 D210	R103-H107 VanDerWaalsContact O-CB 3.26Å; R103-H107 WeakPolarHBondContact O-CB 3.49Å; R103-H107 PolarHBondContact O-N 3.21Å; A104-H107 PolarHBondContact O-N 3.41Å; H107-D210 IonicContact CE1-OD2 3.82Å; H107-D210 PolarHBondContact CE1-OD2 3.41Å; H107-D210 VanDerWaalsContact CE1-OD2 3.28Å; H107-D210 IonicContact ND1-OD2 2.73Å; H107-D210 IonicContact NE2-OD2 2.63Å
108	W	97.1	Very high	95.5	Very high	57 Å²	57	56.6 Å²	56.6	22%	0.216	33%	0.328	C	S	.	.	H	α-helix	trans	-107.9	-0.2	-176.9	-58.1	-44.1	0	0	0	114	A104 V112 C127 A195 F197 D210	A104-W108 HydrophobicContact CB-CE3 3.7Å; A104-W108 HydrophobicContact CB-CZ3 3.68Å; A104-W108 PolarHBondContact O-N 2.75Å; W108-V112 HydrophobicContact CB-CB 4.16Å; W108-V112 HydrophobicContact CB-CG2 4.11Å; W108-V112 HydrophobicContact CE3-CG2 4.06Å; W108-C127 HydrophobicContact CE3-CB 4.28Å; W108-C127 HydrophobicContact CZ3-CB 4.04Å; W108-A195 HydrophobicContact CH2-CB 4.19Å; W108-A195 HydrophobicContact CZ3-CB 4.09Å; W108-F197 HydrophobicContact CD2-CB 3.98Å; W108-F197 HydrophobicContact CD2-CD2 4.48Å; W108-F197 HydrophobicContact CD2-CG 4.32Å; W108-F197 HydrophobicContact CE3-CB 4.04Å; W108-F197 HydrophobicContact CE3-CD2 4.44Å; W108-F197 HydrophobicContact CH2-CB 3.59Å; W108-F197 HydrophobicContact CZ2-CB 3.52Å; W108-F197 HydrophobicContact CZ3-CB 3.86Å; W108-D210 HydrophobicContact CZ2-CB 4.11Å; W108-D210 PolarHBondContact NE1-OD2 3.42Å
109	G	94.9	Very high	95.4	Very high	32 Å²	32	57.9 Å²	57.9	33%	0.33	33%	0.328	S	S	.	.			trans	93.7	160.4	179	0	0	0	0	0	113.9	Q105 G111 V112	Q105-G109 CarbonylContact O-C 3.58Å; Q105-G109 WeakPolarHBondContact O-CA 3.11Å; Q105-G109 PolarHBondContact O-N 2.9Å; G109-G111 PolarHBondContact O-N 3.28Å; G109-V112 WeakPolarHBondContact O-CG1 3.35Å; G109-V112 PolarHBondContact O-N 3.11Å; G109-V112 VanDerWaalsContact O-N 3.11Å
110	S	89.7	Confident	95.3	Very high	117 Å²	117	56 Å²	56	82%	0.818	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-14.9	-174.2	62.2	0	0	0	0	114.8
111	G	89.6	Confident	95.1	Very high	75 Å²	75	61.6 Å²	61.6	77%	0.773	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	1.4	177.5	0	0	0	0	0	114.4	G109 G113	G109-G111 PolarHBondContact O-N 3.28Å; G111-G113 PolarHBondContact O-N 3.41Å
112	V	92.5	Very high	95	Very high	19 Å²	19	63.5 Å²	63.5	12%	0.115	37%	0.365	C	S	.	.			trans	-65.6	119.7	-179.4	71.9	0	0	0	0	110.6	Q105 W108 G109 V114 C127 F197	Q105-V112 HydrophobicContact CG-CG1 4.16Å; W108-V112 HydrophobicContact CB-CB 4.16Å; W108-V112 HydrophobicContact CB-CG2 4.11Å; W108-V112 HydrophobicContact CE3-CG2 4.06Å; G109-V112 WeakPolarHBondContact O-CG1 3.35Å; G109-V112 PolarHBondContact O-N 3.11Å; G109-V112 VanDerWaalsContact O-N 3.11Å; V112-V114 PolarHBondContact O-N 3.01Å; V112-V114 VanDerWaalsContact O-N 3.08Å; V112-C127 HydrophobicContact CG2-CB 3.63Å; V112-F197 HydrophobicContact CG2-CD2 4.02Å; V112-F197 HydrophobicContact CG2-CE2 4.12Å
113	G	93.9	Very high	94.9	Very high	34 Å²	34	63.9 Å²	63.9	35%	0.351	36%	0.364	S	S	.	.			trans	-74.9	97.4	179.1	0	0	0	0	0	110.9	G111 C126 C127	G111-G113 PolarHBondContact O-N 3.41Å; G113-C126 WeakPolarHBondContact O-CA 3.23Å; G113-C126 WeakPolarHBondContact O-CB 3.4Å; G113-C127 PolarHBondContact O-N 2.96Å
114	V	95.8	Very high	94.9	Very high	44 Å²	44	65.1 Å²	65.1	27%	0.267	37%	0.371	S	S	.	.	B	Isolated β-bridge	trans	-75	122.3	170.2	-176.4	0	0	0	0	108.7	E101 V112 C127	E101-V114 HydrophobicContact CG-CG1 4.06Å; E101-V114 HydrophobicContact CG-CG2 4.43Å; V112-V114 PolarHBondContact O-N 3.01Å; V112-V114 VanDerWaalsContact O-N 3.08Å; V114-C127 CarbonylContact C-O 3.04Å; V114-C127 WeakPolarHBondContact CA-O 3.38Å; V114-C127 HydrophobicContact CG2-CB 4.32Å
115	K	96.3	Very high	94.8	Very high	41 Å²	41	69 Å²	69	18%	0.178	39%	0.388	C	S	.	.			trans	-128.4	150.6	179.8	-67.6	-163.5	177.5	-167.9	0	111.7	E119 L120 E124 C126 C127	K115-E119 HydrophobicContact CB-CB 4.36Å; K115-E119 HydrophobicContact CD-CB 4.38Å; K115-L120 HydrophobicContact CB-CD2 4.33Å; K115-E124 VanDerWaalsContact CE-OE1 3.31Å; K115-E124 WeakPolarHBondContact CE-OE1 3.27Å; K115-E124 IonicContact NZ-OE1 2.91Å; K115-E124 PolarHBondContact NZ-OE1 2.83Å; K115-E124 IonicContact NZ-OE2 2.65Å; K115-E124 PolarHBondContact NZ-OE2 2.92Å; K115-C126 HydrophobicContact CB-CB 4.49Å; K115-C126 HydrophobicContact CD-CB 4.26Å; K115-C126 HydrophobicContact CG-CB 4.24Å; K115-C127 PolarHBondContact N-O 3.3Å
116	K	95.8	Very high	94.9	Very high	70 Å²	70	64.6 Å²	64.6	30%	0.304	37%	0.367	S	S	.	.			trans	-73.1	156.6	164.9	-66.6	-164.5	175.9	-158	0	110	C118 E119 E173	K116-C118 PolarHBondContact O-N 3.43Å; K116-C118 VanDerWaalsContact O-N 3.16Å; K116-E119 HydrophobicContact CB-CG 4.31Å; K116-E119 PolarHBondContact N-OE2 3.39Å; K116-E119 VanDerWaalsContact N-OE2 3.09Å; K116-E119 PolarHBondContact O-N 2.79Å; K116-E173 IonicContact NZ-OE2 2.63Å; K116-E173 PolarHBondContact NZ-OE2 2.83Å
117	L	95.9	Very high	95.1	Very high	3 Å²	3	59.2 Å²	59.2	2%	0.016	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-57.1	-33.7	179.8	-76.8	-179.7	0	0	0	113	E119 L120 V128 L170 D172 Q175 I177	L117-E119 VanDerWaalsContact C-N 3.26Å; L117-E119 PolarHBondContact O-N 3.47Å; L117-L120 HydrophobicContact CD2-CD1 3.75Å; L117-L120 WeakPolarHBondContact O-CD1 3.35Å; L117-L120 VanDerWaalsContact O-CG 3.24Å; L117-L120 WeakPolarHBondContact O-CG 3.33Å; L117-V128 HydrophobicContact CD2-CG1 3.59Å; L117-V128 HydrophobicContact CD2-CG2 4.39Å; L117-V128 HydrophobicContact CG-CG1 3.86Å; L117-L170 HydrophobicContact CD2-CD2 4.45Å; L117-D172 HydrophobicContact CB-CB 4.31Å; L117-D172 HydrophobicContact CD1-CB 3.63Å; L117-D172 HydrophobicContact CG-CB 3.92Å; L117-Q175 VanDerWaalsContact C-CD 3.43Å; L117-Q175 HydrophobicContact CB-CG 3.35Å; L117-Q175 HydrophobicContact CD1-CG 4.01Å; L117-Q175 VanDerWaalsContact CD1-O 3.28Å; L117-Q175 WeakPolarHBondContact CD1-O 3.47Å; L117-Q175 HydrophobicContact CG-CG 4.33Å; L117-Q175 PolarHBondContact O-NE2 2.9Å; L117-I177 HydrophobicContact CD1-CG2 4.32Å; L117-I177 HydrophobicContact CD2-CB 4.3Å; L117-I177 HydrophobicContact CD2-CG2 3.46Å; L117-I177 VanDerWaalsContact CD2-CG2 3.46Å
118	C	95	Very high	95.1	Very high	67 Å²	67	54.2 Å²	54.2	45%	0.453	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-73.7	-12.7	179.8	56.2	0	0	0	0	114.6	K116 Q175	K116-C118 PolarHBondContact O-N 3.43Å; K116-C118 VanDerWaalsContact O-N 3.16Å; C118-Q175 VanDerWaalsContact CB-OE1 3.28Å
119	E	95.5	Very high	95.2	Very high	100 Å²	100	51.5 Å²	51.5	47%	0.467	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-99.5	2.5	-176.7	-62.6	165.4	176.6	0	0	112.4	K115 K116 L117	K115-E119 HydrophobicContact CB-CB 4.36Å; K115-E119 HydrophobicContact CD-CB 4.38Å; K116-E119 HydrophobicContact CB-CG 4.31Å; K116-E119 PolarHBondContact N-OE2 3.39Å; K116-E119 VanDerWaalsContact N-OE2 3.09Å; K116-E119 PolarHBondContact O-N 2.79Å; L117-E119 VanDerWaalsContact C-N 3.26Å; L117-E119 PolarHBondContact O-N 3.47Å
120	L	95.2	Very high	95.4	Very high	30 Å²	30	50 Å²	50	16%	0.157	29%	0.293	C	S	.	.			trans	-69.5	131	-176.6	-63.3	180	0	0	0	111.5	K115 L117 C126 V128 I177 V200 F206	K115-L120 HydrophobicContact CB-CD2 4.33Å; L117-L120 HydrophobicContact CD2-CD1 3.75Å; L117-L120 WeakPolarHBondContact O-CD1 3.35Å; L117-L120 VanDerWaalsContact O-CG 3.24Å; L117-L120 WeakPolarHBondContact O-CG 3.33Å; L120-C126 WeakPolarHBondContact CD2-SG 3.17Å; L120-V128 HydrophobicContact CD1-CG2 4.41Å; L120-V128 HydrophobicContact CD2-CG2 3.81Å; L120-I177 HydrophobicContact CD1-CD1 4.27Å; L120-V200 HydrophobicContact CB-CG2 3.76Å; L120-V200 HydrophobicContact CD1-CG2 3.63Å; L120-V200 HydrophobicContact CG-CG2 4.24Å; L120-F206 HydrophobicContact CD1-CD2 4.1Å; L120-F206 HydrophobicContact CD1-CE2 4.25Å; L120-F206 HydrophobicContact CD2-CE2 4.34Å
121	Q	94.9	Very high	95.8	Very high	118 Å²	118	45 Å²	45	55%	0.551	26%	0.258	S	S	*	.			trans	-104.2	144.3	171.9	-57.3	-179.2	10	0	0	109.8	E123 E124	Q121-E123 PolarHBondContact O-N 3.3Å; Q121-E124 HydrophobicContact CB-CB 4.03Å; Q121-E124 WeakPolarHBondContact CB-OE2 3.09Å; Q121-E124 PolarHBondContact O-N 3.41Å
122	P	95.4	Very high	96.2	Very high	99 Å²	99	41.6 Å²	41.6	64%	0.643	22%	0.222	S	C	*	.	B	Isolated β-bridge	trans	-53.9	136.5	174.8	-25.3	34.5	0	0	0	111.4	E124	P122-E124 PolarHBondContact O-N 3.39Å
123	E	93.8	Very high	96.5	Very high	92 Å²	92	43.8 Å²	43.8	43%	0.43	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	63	5.6	177.2	-63	-63.2	149.1	0	0	116.3	Q121 V200 R201	Q121-E123 PolarHBondContact O-N 3.3Å; E123-V200 PolarHBondContact N-O 2.97Å; E123-R201 WeakPolarHBondContact OE1-CD 3.39Å; E123-R201 IonicContact OE1-CZ 3.84Å; E123-R201 IonicContact OE1-NE 3.58Å; E123-R201 IonicContact OE1-NH1 2.57Å; E123-R201 PolarHBondContact OE1-NH1 2.96Å; E123-R201 IonicContact OE2-CZ 2.87Å; E123-R201 IonicContact OE2-NH1 2.82Å; E123-R201 PolarHBondContact OE2-NH1 3.36Å
124	E	96.1	Very high	96.7	Very high	58 Å²	58	42.2 Å²	42.2	27%	0.271	21%	0.214	S	C	.	.			trans	-84.4	131.6	175.8	-172.2	-170.4	-167.2	0	0	112	K115 Q121 P122 S199	K115-E124 VanDerWaalsContact CE-OE1 3.31Å; K115-E124 WeakPolarHBondContact CE-OE1 3.27Å; K115-E124 IonicContact NZ-OE1 2.91Å; K115-E124 PolarHBondContact NZ-OE1 2.83Å; K115-E124 IonicContact NZ-OE2 2.65Å; K115-E124 PolarHBondContact NZ-OE2 2.92Å; Q121-E124 HydrophobicContact CB-CB 4.03Å; Q121-E124 WeakPolarHBondContact CB-OE2 3.09Å; Q121-E124 PolarHBondContact O-N 3.41Å; P122-E124 PolarHBondContact O-N 3.39Å; E124-S199 WeakPolarHBondContact O-CA 3.39Å; E124-S199 WeakPolarHBondContact O-CB 3.27Å
125	K	96.6	Very high	96.7	Very high	80 Å²	80	41.7 Å²	41.7	35%	0.348	21%	0.214	S	C	.	.			trans	-78.5	122.1	174.5	-67.3	-65.8	178.1	-170.5	0	111.7	F197 G198 S199 E209	K125-F197 HydrophobicContact CB-CE2 4.43Å; K125-F197 HydrophobicContact CB-CZ 4.05Å; K125-F197 HydrophobicContact CD-CE1 4.38Å; K125-F197 HydrophobicContact CD-CZ 4.34Å; K125-G198 WeakPolarHBondContact CA-O 3.2Å; K125-S199 PolarHBondContact NZ-OG 3.26Å; K125-E209 WeakPolarHBondContact CE-OE1 3.26Å; K125-E209 WeakPolarHBondContact CE-OE2 3.39Å; K125-E209 IonicContact NZ-OE1 2.76Å; K125-E209 PolarHBondContact NZ-OE1 2.82Å; K125-E209 IonicContact NZ-OE2 3.99Å; K125-E209 PolarHBondContact NZ-OE2 2.94Å
126	C	97.6	Very high	96.6	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.014	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	166.3	-179.9	56.8	0	0	0	0	111.9	G113 K115 L120 F197 G198	G113-C126 WeakPolarHBondContact O-CA 3.23Å; G113-C126 WeakPolarHBondContact O-CB 3.4Å; K115-C126 HydrophobicContact CB-CB 4.49Å; K115-C126 HydrophobicContact CD-CB 4.26Å; K115-C126 HydrophobicContact CG-CB 4.24Å; L120-C126 WeakPolarHBondContact CD2-SG 3.17Å; C126-F197 WeakPolarHBondContact O-CA 3.27Å; C126-F197 WeakPolarHBondContact O-CD2 3.38Å; C126-G198 PolarHBondContact N-O 2.76Å; C126-G198 PolarHBondContact O-N 2.74Å
127	C	98.1	Very high	96.4	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	135	170.2	167	0	0	0	0	109.5	W108 V112 G113 V114 K115 V196	W108-C127 HydrophobicContact CE3-CB 4.28Å; W108-C127 HydrophobicContact CZ3-CB 4.04Å; V112-C127 HydrophobicContact CG2-CB 3.63Å; G113-C127 PolarHBondContact O-N 2.96Å; V114-C127 CarbonylContact C-O 3.04Å; V114-C127 WeakPolarHBondContact CA-O 3.38Å; V114-C127 HydrophobicContact CG2-CB 4.32Å; K115-C127 PolarHBondContact N-O 3.3Å; C127-V196 CarbonylContact C-O 3.57Å; C127-V196 VanDerWaalsContact CA-O 3.28Å; C127-V196 WeakPolarHBondContact CA-O 3.39Å
128	V	98.1	Very high	96.1	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	133.3	173.3	-175.3	0	0	0	0	109.3	L117 L120 L170 A195 V196 F206	L117-V128 HydrophobicContact CD2-CG1 3.59Å; L117-V128 HydrophobicContact CD2-CG2 4.39Å; L117-V128 HydrophobicContact CG-CG1 3.86Å; L120-V128 HydrophobicContact CD1-CG2 4.41Å; L120-V128 HydrophobicContact CD2-CG2 3.81Å; V128-L170 HydrophobicContact CB-CD2 4.09Å; V128-L170 HydrophobicContact CG1-CD2 3.7Å; V128-A195 CarbonylContact O-C 3.6Å; V128-A195 WeakPolarHBondContact O-CA 3.25Å; V128-V196 HydrophobicContact CB-CG2 4.05Å; V128-V196 PolarHBondContact N-O 3.12Å; V128-V196 PolarHBondContact O-N 3.1Å; V128-F206 HydrophobicContact CG2-CE2 3.91Å; V128-F206 HydrophobicContact CG2-CZ 4.14Å
129	V	98.4	Very high	95.9	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.006	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	126.7	170.7	178.6	0	0	0	0	109	L93 R97 L100 E101 V193 L194 A195	L93-V129 HydrophobicContact CD1-CG1 4.23Å; R97-V129 HydrophobicContact CB-CG1 4.43Å; R97-V129 HydrophobicContact CG-CG1 4.36Å; L100-V129 HydrophobicContact CB-CG1 3.99Å; L100-V129 HydrophobicContact CB-CG2 4Å; L100-V129 HydrophobicContact CD1-CG1 3.67Å; L100-V129 HydrophobicContact CG-CG1 4.49Å; E101-V129 HydrophobicContact CG-CG2 4.2Å; V129-V193 HydrophobicContact CG1-CG1 4.41Å; V129-L194 WeakPolarHBondContact CA-O 3.49Å; V129-A195 HydrophobicContact CG2-CB 4.08Å
130	G	98.3	Very high	95.4	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	176.8	-179.1	0	0	0	0	0	113	E171 V193 L194	G130-E171 CarbonylContact C-O 3.42Å; G130-E171 WeakPolarHBondContact CA-O 3.49Å; G130-V193 WeakPolarHBondContact O-CA 3.32Å; G130-V193 WeakPolarHBondContact O-CG1 3.48Å; G130-L194 PolarHBondContact N-O 2.98Å; G130-L194 PolarHBondContact O-N 2.72Å; G130-L194 VanDerWaalsContact O-N 3.15Å
131	T	98.5	Very high	94.9	Very high	13 Å²	13	39.6 Å²	39.6	8%	0.08	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	133.4	176.6	-52.9	0	0	0	0	109.5	Y89 E171 V193	Y89-T131 HydrophobicContact CD1-CG2 4.26Å; T131-E171 PolarHBondContact N-O 3.46Å; T131-E171 PolarHBondContact O-N 3.24Å; T131-V193 HydrophobicContact CG2-CG2 4.44Å
132	L	98.4	Very high	94.2	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.01	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	135.9	174.2	-71.9	173.8	0	0	0	111.5	L168 V169 L170 L179 L188 T190 G191 T192 L194	L132-L168 HydrophobicContact CD2-CB 4.36Å; L132-V169 WeakPolarHBondContact CA-O 3.24Å; L132-L170 HydrophobicContact CD2-CD1 4.08Å; L132-L179 HydrophobicContact CD2-CD1 3.56Å; L132-L188 HydrophobicContact CD1-CB 4.17Å; L132-L188 HydrophobicContact CD1-CD2 3.61Å; L132-L188 HydrophobicContact CD1-CG 4.35Å; L132-T190 CarbonylContact O-C 3.56Å; L132-T190 WeakPolarHBondContact O-CA 3.21Å; L132-G191 PolarHBondContact O-N 3.06Å; L132-T192 PolarHBondContact N-O 3.11Å; L132-L194 HydrophobicContact CD1-CD1 4.02Å; L132-L194 HydrophobicContact CD1-CD2 3.63Å; L132-L194 HydrophobicContact CD1-CG 4.5Å; L132-L194 HydrophobicContact CD2-CD2 3.99Å; L132-L194 HydrophobicContact CG-CD2 3.43Å; L132-L194 VanDerWaalsContact CG-CD2 3.43Å
133	F	98.1	Very high	93.4	Very high	66 Å²	66	42.1 Å²	42.1	29%	0.289	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	123.8	160.9	176.1	-99	0	0	0	108.3	A135 V169 E171 T190	F133-A135 HydrophobicContact CE1-CB 3.94Å; F133-V169 HydrophobicContact CB-CB 4.4Å; F133-V169 HydrophobicContact CD1-CB 4.41Å; F133-V169 HydrophobicContact CD1-CG2 4.46Å; F133-V169 PolarHBondContact N-O 3.37Å; F133-V169 PolarHBondContact O-N 2.95Å; F133-E171 HydrophobicContact CB-CG 4.36Å; F133-T190 HydrophobicContact CD2-CG2 4.08Å
134	K	97.9	Very high	92.6	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	110.5	176.1	-170	176.9	171.3	172.1	0	108.7	M136 D166 E167 L168 V185 L188 T190 Y390	K134-M136 HydrophobicContact CB-CG 4.31Å; K134-M136 HydrophobicContact CB-SD 4.48Å; K134-M136 HydrophobicContact CD-CG 3.96Å; K134-M136 HydrophobicContact CD-SD 3.78Å; K134-M136 HydrophobicContact CG-CG 3.66Å; K134-M136 HydrophobicContact CG-SD 4.06Å; K134-M136 PolarHBondContact O-N 3.1Å; K134-D166 WeakPolarHBondContact CE-OD2 3.42Å; K134-D166 HydrophobicContact CG-CB 4.45Å; K134-D166 IonicContact NZ-OD2 3.28Å; K134-D166 PolarHBondContact NZ-OD2 2.92Å; K134-E167 CarbonylContact C-O 3.53Å; K134-E167 WeakPolarHBondContact CA-O 3.45Å; K134-L168 HydrophobicContact CB-CD2 3.91Å; K134-L168 HydrophobicContact CD-CD2 4.35Å; K134-L168 HydrophobicContact CG-CD2 3.91Å; K134-V185 VanDerWaalsContact CE-O 3.25Å; K134-V185 WeakPolarHBondContact CE-O 3.23Å; K134-V185 PolarHBondContact NZ-O 2.81Å; K134-L188 WeakPolarHBondContact CD-O 3.38Å; K134-L188 PolarHBondContact NZ-O 3.5Å; K134-T190 WeakPolarHBondContact CB-OG1 3.39Å; K134-T190 PolarHBondContact N-OG1 3.29Å; K134-Y390 PolarHBondContact NZ-O 3.03Å
135	A	96.7	Very high	91.4	Very high	33 Å²	33	47.9 Å²	47.9	27%	0.273	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	110	174.8	0	0	0	0	0	108.9	F133 D166 E167	F133-A135 HydrophobicContact CE1-CB 3.94Å; A135-D166 WeakPolarHBondContact O-CA 3.44Å; A135-E167 HydrophobicContact CB-CB 4.43Å; A135-E167 PolarHBondContact N-O 3.24Å; A135-E167 PolarHBondContact O-N 3.13Å; A135-E167 VanDerWaalsContact O-N 3.15Å
136	M	94.4	Very high	90.3	Very high	18 Å²	18	49 Å²	49	9%	0.089	26%	0.259	C	S	.	.			trans	-118.1	117.8	-173.8	-63.3	176.8	-65.9	0	0	110.2	K134 L138 Q139 Y390	K134-M136 HydrophobicContact CB-CG 4.31Å; K134-M136 HydrophobicContact CB-SD 4.48Å; K134-M136 HydrophobicContact CD-CG 3.96Å; K134-M136 HydrophobicContact CD-SD 3.78Å; K134-M136 HydrophobicContact CG-CG 3.66Å; K134-M136 HydrophobicContact CG-SD 4.06Å; K134-M136 PolarHBondContact O-N 3.1Å; M136-L138 VanDerWaalsContact C-N 3.25Å; M136-L138 PolarHBondContact O-N 2.99Å; M136-Q139 HydrophobicContact CB-CB 3.97Å; M136-Q139 HydrophobicContact CE-CB 4.21Å; M136-Q139 HydrophobicContact CE-CG 4.22Å; M136-Q139 WeakPolarHBondContact O-CB 3.36Å; M136-Q139 PolarHBondContact O-N 3.26Å; M136-Y390 HydrophobicContact CE-CD1 3.47Å; M136-Y390 VanDerWaalsContact CE-CD1 3.47Å; M136-Y390 HydrophobicContact CE-CE1 3.92Å; M136-Y390 HydrophobicContact CE-CG 4.27Å; M136-Y390 HydrophobicContact SD-CD1 3.65Å; M136-Y390 HydrophobicContact SD-CE1 4.49Å; M136-Y390 HydrophobicContact SD-CG 4.42Å
137	P	91.1	Very high	89	Confident	56 Å²	56	53 Å²	53	36%	0.364	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-26.8	-177.1	26.5	-32.6	0	0	0	113	R144 H163 D166	P137-R144 PolarHBondContact O-NH1 3.05Å; P137-H163 HydrophobicContact CG-CB 3.72Å; P137-D166 VanDerWaalsContact CD-OD1 3.28Å; P137-D166 WeakPolarHBondContact CD-OD1 3.45Å
138	L	90.9	Very high	87.4	Confident	47 Å²	47	57.7 Å²	57.7	25%	0.246	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-6.7	179.9	-63.6	-176	0	0	0	113.9	M136 Y161 H163	M136-L138 VanDerWaalsContact C-N 3.25Å; M136-L138 PolarHBondContact O-N 2.99Å; L138-Y161 VanDerWaalsContact O-CD1 3.32Å; L138-Y161 WeakPolarHBondContact O-CD1 3.33Å; L138-H163 HydrophobicContact CD1-CB 4.17Å; L138-H163 HydrophobicContact CG-CB 4.22Å
139	Q	89.9	Confident	85.2	Confident	37 Å²	37	65.3 Å²	65.3	17%	0.173	34%	0.344	C	S	.	.	S	Bend	trans	-62.5	131.7	176.9	-175	179.3	13.4	0	0	109.8	M136 Y390 D415	M136-Q139 HydrophobicContact CB-CB 3.97Å; M136-Q139 HydrophobicContact CE-CB 4.21Å; M136-Q139 HydrophobicContact CE-CG 4.22Å; M136-Q139 WeakPolarHBondContact O-CB 3.36Å; M136-Q139 PolarHBondContact O-N 3.26Å; Q139-Y390 HydrophobicContact CG-CE1 4.33Å; Q139-D415 PolarHBondContact NE2-OD2 3.42Å
140	P	85	Confident	82.9	Confident	68 Å²	68	73.5 Å²	73.5	44%	0.442	38%	0.382	S	S	.	.			trans	-62	142.7	178.6	25.4	-33.4	0	0	0	110.6
141	S	83.6	Confident	80.7	Confident	41 Å²	41	81 Å²	81	29%	0.287	42%	0.422	S	S	.	.			trans	-132.4	115.1	-177.7	-179.8	0	0	0	0	110.3	L143 R144 E145	S141-L143 PolarHBondContact O-N 3.33Å; S141-R144 PolarHBondContact O-N 3.49Å; S141-R144 VanDerWaalsContact O-N 3.07Å; S141-E145 WeakPolarHBondContact O-CG 3.38Å; S141-E145 PolarHBondContact O-N 2.9Å
142	I	81.4	Confident	78.5	Confident	131 Å²	131	86 Å²	86	67%	0.672	45%	0.448	S	S	*	.	H	α-helix	trans	-55.9	-38.1	176.6	-59.2	169.9	0	0	0	110.6	E145 V146	I142-E145 PolarHBondContact O-N 2.84Å; I142-V146 HydrophobicContact CG2-CG2 4.12Å; I142-V146 WeakPolarHBondContact O-CB 3.45Å; I142-V146 VanDerWaalsContact O-CG2 3.23Å; I142-V146 WeakPolarHBondContact O-CG2 3.12Å; I142-V146 PolarHBondContact O-N 2.77Å
143	L	79.3	Confident	76.5	Confident	140 Å²	140	93.3 Å²	93.3	73%	0.733	49%	0.486	S	S	*	.	H	α-helix	trans	-66.3	-39.4	179.5	-68.6	178	0	0	0	112.2	S141 S147	S141-L143 PolarHBondContact O-N 3.33Å; L143-S147 WeakPolarHBondContact O-CB 3.4Å; L143-S147 PolarHBondContact O-N 3.06Å; L143-S147 PolarHBondContact O-OG 3.13Å
144	R	75.4	Confident	74.6	Confident	145 Å²	145	95.8 Å²	95.8	55%	0.547	51%	0.509	S	S	.	.	H	α-helix	trans	-64.4	-49	174.8	-69.3	-177.1	179.9	166.8	-0.2	110.2	P137 S141 V146 S147 E148	P137-R144 PolarHBondContact O-NH1 3.05Å; S141-R144 PolarHBondContact O-N 3.49Å; S141-R144 VanDerWaalsContact O-N 3.07Å; R144-V146 VanDerWaalsContact C-N 3.29Å; R144-V146 PolarHBondContact O-N 3.33Å; R144-S147 WeakPolarHBondContact CA-OG 3.43Å; R144-S147 PolarHBondContact O-N 3.16Å; R144-S147 PolarHBondContact O-OG 3.38Å; R144-E148 WeakPolarHBondContact O-CB 3.38Å; R144-E148 WeakPolarHBondContact O-CG 3.46Å; R144-E148 PolarHBondContact O-N 2.81Å
145	E	71.4	Confident	72.8	Confident	126 Å²	126	102.7 Å²	102.7	59%	0.589	54%	0.541	S	S	*	.	H	α-helix	trans	-56.3	-39.6	177.4	-70	174.3	-167.9	0	0	113.1	S141 I142	S141-E145 WeakPolarHBondContact O-CG 3.38Å; S141-E145 PolarHBondContact O-N 2.9Å; I142-E145 PolarHBondContact O-N 2.84Å
146	V	74	Confident	71.3	Confident	104 Å²	104	105.9 Å²	105.9	63%	0.63	56%	0.559	S	S	*	*	H	α-helix	trans	-80.4	-36.3	179	173.8	0	0	0	0	112.2	I142 R144 E148	I142-V146 HydrophobicContact CG2-CG2 4.12Å; I142-V146 WeakPolarHBondContact O-CB 3.45Å; I142-V146 VanDerWaalsContact O-CG2 3.23Å; I142-V146 WeakPolarHBondContact O-CG2 3.12Å; I142-V146 PolarHBondContact O-N 2.77Å; R144-V146 VanDerWaalsContact C-N 3.29Å; R144-V146 PolarHBondContact O-N 3.33Å; V146-E148 VanDerWaalsContact C-N 3.35Å
147	S	69.4	Low	70.3	Confident	84 Å²	84	110.6 Å²	110.6	59%	0.587	59%	0.591	S	S	*	*	H	α-helix	trans	-70.7	-30.1	-178.9	68.3	0	0	0	0	113.4	L143 R144 E149	L143-S147 WeakPolarHBondContact O-CB 3.4Å; L143-S147 PolarHBondContact O-N 3.06Å; L143-S147 PolarHBondContact O-OG 3.13Å; R144-S147 WeakPolarHBondContact CA-OG 3.43Å; R144-S147 PolarHBondContact O-N 3.16Å; R144-S147 PolarHBondContact O-OG 3.38Å; S147-E149 PolarHBondContact O-N 3.21Å
148	E	64.8	Low	70	Confident	100 Å²	100	112.8 Å²	112.8	47%	0.467	59%	0.592	S	S	.	*	S	Bend	trans	-84	71.4	176.7	-65.5	169.4	152.3	0	0	108.4	R144 V146 H150 L152	R144-E148 WeakPolarHBondContact O-CB 3.38Å; R144-E148 WeakPolarHBondContact O-CG 3.46Å; R144-E148 PolarHBondContact O-N 2.81Å; V146-E148 VanDerWaalsContact C-N 3.35Å; E148-H150 PolarHBondContact O-N 3.47Å; E148-L152 HydrophobicContact CB-CD1 3.78Å; E148-L152 HydrophobicContact CG-CD1 3.99Å; E148-L152 WeakPolarHBondContact OE2-CD1 3.41Å
149	E	51.5	Low	69.9	Low	159 Å²	159	115.2 Å²	115.2	74%	0.743	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-42.9	115	-178.6	-76.9	-176.6	159.6	0	0	112.6	S147 N151	S147-E149 PolarHBondContact O-N 3.21Å; E149-N151 PolarHBondContact O-N 3.48Å
150	H	51.8	Low	70.1	Confident	174 Å²	174	114.9 Å²	114.9	81%	0.806	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	70.1	4.9	152.4	-63.2	70	0	0	0	120.7	E148	E148-H150 PolarHBondContact O-N 3.47Å
151	N	50.7	Low	70.6	Confident	156 Å²	156	113.1 Å²	113.1	83%	0.834	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-142.3	11.3	-176.9	-83	-46.1	0	0	0	118.3	E149	E149-N151 PolarHBondContact O-N 3.48Å
152	L	53.7	Low	71.2	Confident	119 Å²	119	113.7 Å²	113.7	62%	0.623	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-96.6	121	168.1	-72.7	167.4	0	0	0	110.2	E148	E148-L152 HydrophobicContact CB-CD1 3.78Å; E148-L152 HydrophobicContact CG-CD1 3.99Å; E148-L152 WeakPolarHBondContact OE2-CD1 3.41Å
153	L	55.1	Low	71.9	Confident	156 Å²	156	110.6 Å²	110.6	82%	0.817	58%	0.578	S	S	*	*	P	Polyproline II helix	trans	-52.7	134.7	162.2	-70	165.6	0	0	0	107.2	Q155	L153-Q155 PolarHBondContact O-N 2.79Å; L153-Q155 VanDerWaalsContact O-N 3.14Å
154	P	58.2	Low	72.6	Confident	117 Å²	117	109.9 Å²	109.9	76%	0.76	58%	0.581	S	S	*	*	P	Polyproline II helix	trans	-50.4	128.2	175	18.7	-29.3	0	0	0	108.2
155	Q	60.7	Low	73.6	Confident	146 Å²	146	108.5 Å²	108.5	68%	0.682	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-55.5	134.3	-179.4	-72.4	-144.4	13.4	0	0	108.4	L153	L153-Q155 PolarHBondContact O-N 2.79Å; L153-Q155 VanDerWaalsContact O-N 3.14Å
156	P	64.1	Low	74.8	Confident	99 Å²	99	103.1 Å²	103.1	64%	0.643	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-57.2	135	-177.6	22.4	-31.8	0	0	0	108.9	R158	P156-R158 PolarHBondContact O-N 2.85Å
157	P	74	Confident	75.9	Confident	117 Å²	117	101.8 Å²	101.8	76%	0.76	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-56.7	130.3	178.5	20.6	-29.6	0	0	0	109.2
158	R	85.5	Confident	77.3	Confident	102 Å²	102	98 Å²	98	39%	0.385	52%	0.52	S	S	.	.	P	Polyproline II helix	trans	-92.5	151.4	179.3	-61.3	178.7	178.3	-112.8	-0.9	109.5	P156 K160 Y161	P156-R158 PolarHBondContact O-N 2.85Å; R158-K160 VanDerWaalsContact CB-O 3.3Å; R158-K160 WeakPolarHBondContact CB-O 3.35Å; R158-Y161 HydrophobicContact CB-CD1 4.26Å; R158-Y161 HydrophobicContact CB-CE1 3.99Å; R158-Y161 HydrophobicContact CG-CD1 4.5Å; R158-Y161 HydrophobicContact CG-CE1 4.19Å
159	S	87.9	Confident	78.9	Confident	99 Å²	99	93.9 Å²	93.9	69%	0.692	50%	0.501	S	S	*	.	S	Bend	trans	-66.3	-41.1	168.6	51.6	0	0	0	0	111.2
160	K	95	Very high	81.1	Confident	29 Å²	29	86.3 Å²	86.3	13%	0.126	47%	0.466	C	S	.	.			trans	-137.3	151.1	175.3	-62.6	-167.3	169.6	-160.2	0	111.9	R158 I162 F388 R389 S391 M393 E394	R158-K160 VanDerWaalsContact CB-O 3.3Å; R158-K160 WeakPolarHBondContact CB-O 3.35Å; K160-I162 HydrophobicContact CB-CG1 4.36Å; K160-I162 HydrophobicContact CD-CD1 4.46Å; K160-F388 VanDerWaalsContact CE-O 3.23Å; K160-F388 WeakPolarHBondContact CE-O 3.3Å; K160-F388 HydrophobicContact CG-CE1 4.16Å; K160-R389 CarbonylContact C-O 3.53Å; K160-R389 VanDerWaalsContact CA-O 3.29Å; K160-R389 WeakPolarHBondContact CA-O 3.35Å; K160-S391 PolarHBondContact NZ-O 3.48Å; K160-M393 PolarHBondContact NZ-O 3.49Å; K160-E394 WeakPolarHBondContact CE-OE1 3.45Å; K160-E394 WeakPolarHBondContact CE-OE2 3.43Å; K160-E394 IonicContact NZ-OE1 3.44Å; K160-E394 PolarHBondContact NZ-OE1 2.88Å; K160-E394 IonicContact NZ-OE2 2.72Å; K160-E394 PolarHBondContact NZ-OE2 3.39Å
161	Y	94.7	Very high	83.3	Confident	31 Å²	31	81.3 Å²	81.3	12%	0.122	44%	0.443	C	S	.	.			trans	-111.9	10.6	-178.5	-66.2	-78.9	0	0	0	113.4	L138 R158 R389 Y390	L138-Y161 VanDerWaalsContact O-CD1 3.32Å; L138-Y161 WeakPolarHBondContact O-CD1 3.33Å; R158-Y161 HydrophobicContact CB-CD1 4.26Å; R158-Y161 HydrophobicContact CB-CE1 3.99Å; R158-Y161 HydrophobicContact CG-CD1 4.5Å; R158-Y161 HydrophobicContact CG-CE1 4.19Å; Y161-R389 HydrophobicContact CD2-CB 4.15Å; Y161-R389 PolarHBondContact N-O 3.27Å; Y161-Y390 HydrophobicContact CD2-CD1 4.35Å; Y161-Y390 AromaticContact CD2-CE1 3.69Å; Y161-Y390 HydrophobicContact CD2-CE1 3.69Å; Y161-Y390 HydrophobicContact CD2-CE2 4.47Å; Y161-Y390 AromaticContact CD2-CZ 3.75Å; Y161-Y390 HydrophobicContact CG-CD1 4.44Å; Y161-Y390 AromaticContact CG-CE1 3.82Å; Y161-Y390 HydrophobicContact CG-CE1 3.82Å
162	I	95.7	Very high	85.3	Confident	53 Å²	53	74.8 Å²	74.8	27%	0.272	41%	0.408	S	S	.	.			trans	-71.6	147.6	175.9	63.2	176.6	0	0	0	111.7	K160 D166 Y390	K160-I162 HydrophobicContact CB-CG1 4.36Å; K160-I162 HydrophobicContact CD-CD1 4.46Å; I162-D166 WeakPolarHBondContact CA-OD2 3.41Å; I162-Y390 VanDerWaalsContact CG2-C 3.45Å; I162-Y390 WeakPolarHBondContact CG2-O 3.35Å
163	H	96.3	Very high	86.9	Confident	67 Å²	67	73.6 Å²	73.6	31%	0.31	40%	0.4	S	S	.	.			trans	-136.9	149.4	175.4	-165.3	-99.1	0	0	0	111	P137 L138 D165 D166	P137-H163 HydrophobicContact CG-CB 3.72Å; L138-H163 HydrophobicContact CD1-CB 4.17Å; L138-H163 HydrophobicContact CG-CB 4.22Å; H163-D165 IonicContact CE1-OD2 3.25Å; H163-D165 PolarHBondContact CE1-OD2 2.92Å; H163-D165 WeakPolarHBondContact ND1-CB 3.36Å; H163-D165 PolarHBondContact ND1-N 2.92Å; H163-D165 VanDerWaalsContact ND1-N 3.19Å; H163-D165 IonicContact ND1-OD2 3.26Å; H163-D165 PolarHBondContact ND1-OD2 2.82Å; H163-D165 PolarHBondContact O-N 2.84Å; H163-D165 VanDerWaalsContact O-N 3.1Å; H163-D166 WeakPolarHBondContact CB-OD1 3.46Å; H163-D166 VanDerWaalsContact N-CG 3.35Å; H163-D166 PolarHBondContact N-OD1 2.66Å; H163-D166 PolarHBondContact N-OD2 2.91Å; H163-D166 WeakPolarHBondContact O-CB 3.47Å; H163-D166 PolarHBondContact O-N 2.79Å
164	P	94.3	Very high	88.6	Confident	124 Å²	124	72.4 Å²	72.4	81%	0.805	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-24.1	175.1	-28	36.5	0	0	0	114.8
165	D	96.1	Very high	90.2	Very high	117 Å²	117	70.6 Å²	70.6	63%	0.626	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	12	179.5	-56.9	-30.5	0	0	0	113.4	H163	H163-D165 IonicContact CE1-OD2 3.25Å; H163-D165 PolarHBondContact CE1-OD2 2.92Å; H163-D165 WeakPolarHBondContact ND1-CB 3.36Å; H163-D165 PolarHBondContact ND1-N 2.92Å; H163-D165 VanDerWaalsContact ND1-N 3.19Å; H163-D165 IonicContact ND1-OD2 3.26Å; H163-D165 PolarHBondContact ND1-OD2 2.82Å; H163-D165 PolarHBondContact O-N 2.84Å; H163-D165 VanDerWaalsContact O-N 3.1Å
166	D	97.1	Very high	92	Very high	13 Å²	13	72.2 Å²	72.2	7%	0.07	37%	0.374	C	S	.	.			trans	-58.3	141.2	173.5	-69.2	-15.6	0	0	0	110	K134 A135 P137 I162 H163 V185	K134-D166 WeakPolarHBondContact CE-OD2 3.42Å; K134-D166 HydrophobicContact CG-CB 4.45Å; K134-D166 IonicContact NZ-OD2 3.28Å; K134-D166 PolarHBondContact NZ-OD2 2.92Å; A135-D166 WeakPolarHBondContact O-CA 3.44Å; P137-D166 VanDerWaalsContact CD-OD1 3.28Å; P137-D166 WeakPolarHBondContact CD-OD1 3.45Å; I162-D166 WeakPolarHBondContact CA-OD2 3.41Å; H163-D166 WeakPolarHBondContact CB-OD1 3.46Å; H163-D166 VanDerWaalsContact N-CG 3.35Å; H163-D166 PolarHBondContact N-OD1 2.66Å; H163-D166 PolarHBondContact N-OD2 2.91Å; H163-D166 WeakPolarHBondContact O-CB 3.47Å; H163-D166 PolarHBondContact O-N 2.79Å; D166-V185 HydrophobicContact CB-CG1 3.62Å; D166-V185 WeakPolarHBondContact O-CG1 3.23Å
167	E	97.8	Very high	93.6	Very high	76 Å²	76	68.2 Å²	68.2	36%	0.355	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	140.7	176.9	-68.3	-172.7	125.9	0	0	110.9	K134 A135 K178	K134-E167 CarbonylContact C-O 3.53Å; K134-E167 WeakPolarHBondContact CA-O 3.45Å; A135-E167 HydrophobicContact CB-CB 4.43Å; A135-E167 PolarHBondContact N-O 3.24Å; A135-E167 PolarHBondContact O-N 3.13Å; A135-E167 VanDerWaalsContact O-N 3.15Å; E167-K178 IonicContact OE1-NZ 2.9Å; E167-K178 PolarHBondContact OE1-NZ 2.8Å; E167-K178 WeakPolarHBondContact OE2-CE 3.43Å; E167-K178 IonicContact OE2-NZ 3.88Å; E167-K178 PolarHBondContact OE2-NZ 3.25Å
168	L	98.4	Very high	94.7	Very high	3 Å²	3	66.6 Å²	66.6	2%	0.016	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	132.3	170.6	-67	179.1	0	0	0	111.1	L132 K134 L179 I183 V185 L188	L132-L168 HydrophobicContact CD2-CB 4.36Å; K134-L168 HydrophobicContact CB-CD2 3.91Å; K134-L168 HydrophobicContact CD-CD2 4.35Å; K134-L168 HydrophobicContact CG-CD2 3.91Å; L168-L179 HydrophobicContact CB-CB 4.27Å; L168-L179 HydrophobicContact CB-CD1 4.3Å; L168-L179 PolarHBondContact O-N 3.04Å; L168-I183 HydrophobicContact CD1-CD1 3.84Å; L168-I183 HydrophobicContact CD1-CG1 3.96Å; L168-I183 HydrophobicContact CD1-CG2 4.33Å; L168-V185 HydrophobicContact CD1-CB 4.43Å; L168-V185 HydrophobicContact CD1-CG2 4.09Å; L168-V185 HydrophobicContact CG-CB 4.32Å; L168-V185 HydrophobicContact CG-CG1 4.13Å; L168-V185 HydrophobicContact CG-CG2 4.05Å; L168-L188 HydrophobicContact CD1-CB 4.3Å; L168-L188 HydrophobicContact CD1-CD1 4.17Å
169	V	98.4	Very high	95.3	Very high	14 Å²	14	62.6 Å²	62.6	9%	0.085	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	131	173.4	-175.8	0	0	0	0	107.8	L132 F133 E171 R176 I177 K178	L132-V169 WeakPolarHBondContact CA-O 3.24Å; F133-V169 HydrophobicContact CB-CB 4.4Å; F133-V169 HydrophobicContact CD1-CB 4.41Å; F133-V169 HydrophobicContact CD1-CG2 4.46Å; F133-V169 PolarHBondContact N-O 3.37Å; F133-V169 PolarHBondContact O-N 2.95Å; V169-E171 HydrophobicContact CG1-CG 4.28Å; V169-R176 HydrophobicContact CG1-CB 3.72Å; V169-R176 HydrophobicContact CG1-CG 4.24Å; V169-I177 WeakPolarHBondContact CA-O 3.39Å; V169-K178 HydrophobicContact CG2-CG 4.31Å
170	L	98.4	Very high	95.7	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	125.5	171.8	-169.9	70.8	0	0	0	109.1	L117 V128 L132 R176 I177 L179 L194 V196	L117-L170 HydrophobicContact CD2-CD2 4.45Å; V128-L170 HydrophobicContact CB-CD2 4.09Å; V128-L170 HydrophobicContact CG1-CD2 3.7Å; L132-L170 HydrophobicContact CD2-CD1 4.08Å; L170-R176 CarbonylContact O-C 3.55Å; L170-R176 VanDerWaalsContact O-CA 3.27Å; L170-R176 WeakPolarHBondContact O-CA 3.15Å; L170-I177 HydrophobicContact CB-CG2 4.14Å; L170-I177 PolarHBondContact N-O 3.49Å; L170-I177 PolarHBondContact O-N 2.92Å; L170-L179 HydrophobicContact CB-CD1 4.14Å; L170-L179 HydrophobicContact CB-CD2 3.86Å; L170-L179 HydrophobicContact CB-CG 4.09Å; L170-L194 HydrophobicContact CD1-CD2 3.95Å; L170-V196 HydrophobicContact CD2-CG2 3.62Å
171	E	97.6	Very high	95.8	Very high	70 Å²	70	61.8 Å²	61.8	33%	0.327	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	134.4	178.6	-55.2	-162.5	155.8	0	0	110.7	G130 T131 F133 V169 R176	G130-E171 CarbonylContact C-O 3.42Å; G130-E171 WeakPolarHBondContact CA-O 3.49Å; T131-E171 PolarHBondContact N-O 3.46Å; T131-E171 PolarHBondContact O-N 3.24Å; F133-E171 HydrophobicContact CB-CG 4.36Å; V169-E171 HydrophobicContact CG1-CG 4.28Å; E171-R176 HydrophobicContact CG-CB 3.89Å
172	D	91.8	Very high	95.9	Very high	19 Å²	19	64.7 Å²	64.7	10%	0.102	33%	0.334	C	S	.	.			trans	-114.9	-173.6	166.2	-166.3	1.8	0	0	0	108.3	L93 R97 L117 L174 Q175	L93-D172 WeakPolarHBondContact CD2-OD1 3.28Å; R97-D172 IonicContact CZ-OD1 2.84Å; R97-D172 IonicContact NH2-OD1 3.77Å; R97-D172 PolarHBondContact NH2-OD1 2.82Å; R97-D172 IonicContact NH2-OD2 2.85Å; L117-D172 HydrophobicContact CB-CB 4.31Å; L117-D172 HydrophobicContact CD1-CB 3.63Å; L117-D172 HydrophobicContact CG-CB 3.92Å; D172-L174 PolarHBondContact O-N 3.19Å; D172-L174 VanDerWaalsContact O-N 3.11Å; D172-Q175 PolarHBondContact N-O 3.48Å
173	E	88.4	Confident	95.9	Very high	94 Å²	94	63 Å²	63	44%	0.439	33%	0.325	S	S	.	.	S	Bend	trans	-56.2	-28.6	-178.5	-64.7	146.4	-165.1	0	0	114.2	L93 R97 K116	L93-E173 HydrophobicContact CD2-CG 4.37Å; R97-E173 IonicContact CZ-OE1 3.9Å; R97-E173 IonicContact NE-OE1 3.87Å; R97-E173 IonicContact NH2-OE1 2.78Å; R97-E173 PolarHBondContact NH2-OE1 2.83Å; K116-E173 IonicContact NZ-OE2 2.63Å; K116-E173 PolarHBondContact NZ-OE2 2.83Å
174	L	89.9	Confident	96	Very high	131 Å²	131	63 Å²	63	69%	0.686	33%	0.327	S	S	*	.	S	Bend	trans	-116.8	-29.8	-167.3	-61.8	178.1	0	0	0	114.5	D172	D172-L174 PolarHBondContact O-N 3.19Å; D172-L174 VanDerWaalsContact O-N 3.11Å
175	Q	92.9	Very high	96.1	Very high	78 Å²	78	59.1 Å²	59.1	36%	0.364	30%	0.301	S	S	.	.			trans	-156	173.1	-170.3	66.4	-177.8	62.5	0	0	111.9	L117 C118 D172	L117-Q175 VanDerWaalsContact C-CD 3.43Å; L117-Q175 HydrophobicContact CB-CG 3.35Å; L117-Q175 HydrophobicContact CD1-CG 4.01Å; L117-Q175 VanDerWaalsContact CD1-O 3.28Å; L117-Q175 WeakPolarHBondContact CD1-O 3.47Å; L117-Q175 HydrophobicContact CG-CG 4.33Å; L117-Q175 PolarHBondContact O-NE2 2.9Å; C118-Q175 VanDerWaalsContact CB-OE1 3.28Å; D172-Q175 PolarHBondContact N-O 3.48Å
176	R	96.6	Very high	96.1	Very high	180 Å²	180	55.7 Å²	55.7	68%	0.679	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.5	145.4	-179.5	66.5	-176	-177.4	175.8	0.4	111.1	V169 L170 E171	V169-R176 HydrophobicContact CG1-CB 3.72Å; V169-R176 HydrophobicContact CG1-CG 4.24Å; L170-R176 CarbonylContact O-C 3.55Å; L170-R176 VanDerWaalsContact O-CA 3.27Å; L170-R176 WeakPolarHBondContact O-CA 3.15Å; E171-R176 HydrophobicContact CG-CB 3.89Å
177	I	97.9	Very high	96.2	Very high	16 Å²	16	58 Å²	58	8%	0.082	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	137.6	176.9	-166.4	161.8	0	0	0	110.6	L117 L120 V169 L170 L179 V200 F206	L117-I177 HydrophobicContact CD1-CG2 4.32Å; L117-I177 HydrophobicContact CD2-CB 4.3Å; L117-I177 HydrophobicContact CD2-CG2 3.46Å; L117-I177 VanDerWaalsContact CD2-CG2 3.46Å; L120-I177 HydrophobicContact CD1-CD1 4.27Å; V169-I177 WeakPolarHBondContact CA-O 3.39Å; L170-I177 HydrophobicContact CB-CG2 4.14Å; L170-I177 PolarHBondContact N-O 3.49Å; L170-I177 PolarHBondContact O-N 2.92Å; I177-L179 HydrophobicContact CG2-CD2 4.46Å; I177-V200 HydrophobicContact CD1-CG2 3.95Å; I177-F206 HydrophobicContact CD1-CB 3.89Å; I177-F206 HydrophobicContact CD1-CD2 4.42Å; I177-F206 HydrophobicContact CG1-CB 4.09Å; I177-F206 HydrophobicContact CG2-CB 4.2Å
178	K	98.1	Very high	96.2	Very high	82 Å²	82	54.5 Å²	54.5	36%	0.357	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	138.8	174.6	-71.8	-168.7	172.7	-160	0	110.1	E167 V169 K205 F206	E167-K178 IonicContact OE1-NZ 2.9Å; E167-K178 PolarHBondContact OE1-NZ 2.8Å; E167-K178 WeakPolarHBondContact OE2-CE 3.43Å; E167-K178 IonicContact OE2-NZ 3.88Å; E167-K178 PolarHBondContact OE2-NZ 3.25Å; V169-K178 HydrophobicContact CG2-CG 4.31Å; K178-K205 HydrophobicContact CB-CD 4.4Å; K178-K205 HydrophobicContact CB-CG 4.13Å; K178-F206 PolarHBondContact O-N 2.92Å
179	L	98.3	Very high	96.2	Very high	18 Å²	18	54.4 Å²	54.4	9%	0.094	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	144	175.9	-57.3	-175.1	0	0	0	111	L132 L168 L170 I177 I183 F206 V208	L132-L179 HydrophobicContact CD2-CD1 3.56Å; L168-L179 HydrophobicContact CB-CB 4.27Å; L168-L179 HydrophobicContact CB-CD1 4.3Å; L168-L179 PolarHBondContact O-N 3.04Å; L170-L179 HydrophobicContact CB-CD1 4.14Å; L170-L179 HydrophobicContact CB-CD2 3.86Å; L170-L179 HydrophobicContact CB-CG 4.09Å; I177-L179 HydrophobicContact CG2-CD2 4.46Å; L179-I183 HydrophobicContact CB-CG2 4.49Å; L179-I183 HydrophobicContact CD1-CD1 3.77Å; L179-F206 HydrophobicContact CD2-CB 3.87Å; L179-F206 HydrophobicContact CD2-CD1 4.21Å; L179-F206 HydrophobicContact CD2-CG 4.36Å; L179-V208 HydrophobicContact CB-CG2 4.23Å; L179-V208 HydrophobicContact CD1-CG2 4.4Å; L179-V208 HydrophobicContact CD2-CG2 4.04Å; L179-V208 HydrophobicContact CG-CG2 4.46Å
180	K	96.7	Very high	96.2	Very high	64 Å²	64	54 Å²	54	28%	0.278	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	168.4	167.4	62.8	172.8	177.7	-169.3	0	109.5	D203 K205 F206 L207 V208	K180-D203 IonicContact NZ-OD1 2.61Å; K180-D203 PolarHBondContact NZ-OD1 2.77Å; K180-D203 IonicContact NZ-OD2 3.76Å; K180-D203 PolarHBondContact NZ-OD2 3.35Å; K180-K205 HydrophobicContact CD-CB 4.04Å; K180-K205 HydrophobicContact CD-CD 4.22Å; K180-K205 HydrophobicContact CG-CB 4.13Å; K180-F206 PolarHBondContact N-O 2.72Å; K180-L207 HydrophobicContact CD-CD1 4.3Å; K180-L207 HydrophobicContact CG-CB 4.4Å; K180-L207 HydrophobicContact CG-CD1 3.95Å; K180-L207 CarbonylContact O-C 3.58Å; K180-L207 WeakPolarHBondContact O-CA 3.42Å; K180-V208 PolarHBondContact O-N 3.11Å
181	G	96.1	Very high	96.1	Very high	48 Å²	48	54.1 Å²	54.1	50%	0.495	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	105	-145.8	177.3	0	0	0	0	0	112.5	I183	G181-I183 PolarHBondContact O-N 2.76Å
182	T	95.9	Very high	96.2	Very high	92 Å²	92	50.8 Å²	50.8	56%	0.564	26%	0.262	S	S	*	.	S	Bend	trans	-83.1	61.7	-172.8	42.3	0	0	0	0	112	V208 E209	T182-V208 PolarHBondContact N-O 2.83Å; T182-V208 VanDerWaalsContact N-O 3.12Å; T182-V208 PolarHBondContact OG1-O 2.84Å; T182-V208 VanDerWaalsContact OG1-O 3.1Å; T182-E209 WeakPolarHBondContact OG1-CA 3.47Å; T182-E209 PolarHBondContact OG1-O 2.85Å
183	I	97.3	Very high	96.5	Very high	18 Å²	18	50.1 Å²	50.1	9%	0.092	26%	0.259	C	S	.	.			trans	-133.1	130.9	176.2	-167.4	170.1	0	0	0	110.8	L168 L179 G181 V185 L188 L194 V208 Y211	L168-I183 HydrophobicContact CD1-CD1 3.84Å; L168-I183 HydrophobicContact CD1-CG1 3.96Å; L168-I183 HydrophobicContact CD1-CG2 4.33Å; L179-I183 HydrophobicContact CB-CG2 4.49Å; L179-I183 HydrophobicContact CD1-CD1 3.77Å; G181-I183 PolarHBondContact O-N 2.76Å; I183-V185 PolarHBondContact O-N 2.78Å; I183-V185 VanDerWaalsContact O-N 3.16Å; I183-L188 HydrophobicContact CD1-CD1 4.03Å; I183-L188 HydrophobicContact CG1-CD1 3.54Å; I183-L194 HydrophobicContact CD1-CD1 4.44Å; I183-V208 HydrophobicContact CB-CB 4.46Å; I183-V208 HydrophobicContact CB-CG1 4.35Å; I183-V208 HydrophobicContact CG2-CG2 4.48Å; I183-Y211 HydrophobicContact CB-CD1 4.43Å; I183-Y211 HydrophobicContact CB-CE1 4.33Å; I183-Y211 HydrophobicContact CG1-CD1 4.12Å; I183-Y211 HydrophobicContact CG1-CE1 4.01Å
184	D	96.9	Very high	97	Very high	67 Å²	67	45.7 Å²	45.7	36%	0.358	24%	0.238	S	C	.	.			trans	-85.8	90.9	-173.7	-172.3	-12.9	0	0	0	112	S186 K187 L188	D184-S186 PolarHBondContact O-N 2.87Å; D184-S186 WeakPolarHBondContact OD1-CB 3.35Å; D184-S186 PolarHBondContact OD1-N 2.76Å; D184-S186 PolarHBondContact OD1-OG 3.42Å; D184-K187 HydrophobicContact CB-CB 4.04Å; D184-K187 VanDerWaalsContact CG-CB 3.5Å; D184-K187 PolarHBondContact O-N 2.98Å; D184-K187 PolarHBondContact OD1-N 2.85Å; D184-K187 VanDerWaalsContact OD1-N 3.14Å; D184-K187 WeakPolarHBondContact OD2-CB 3.31Å; D184-L188 VanDerWaalsContact O-CD1 3.32Å; D184-L188 WeakPolarHBondContact O-CD1 3.34Å; D184-L188 PolarHBondContact O-N 3.2Å; D184-L188 VanDerWaalsContact O-N 3.14Å
185	V	97.4	Very high	97.4	Very high	42 Å²	42	39.4 Å²	39.4	26%	0.255	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-35.7	177.8	-178.4	0	0	0	0	112.7	K134 D166 L168 I183	K134-V185 VanDerWaalsContact CE-O 3.25Å; K134-V185 WeakPolarHBondContact CE-O 3.23Å; K134-V185 PolarHBondContact NZ-O 2.81Å; D166-V185 HydrophobicContact CB-CG1 3.62Å; D166-V185 WeakPolarHBondContact O-CG1 3.23Å; L168-V185 HydrophobicContact CD1-CB 4.43Å; L168-V185 HydrophobicContact CD1-CG2 4.09Å; L168-V185 HydrophobicContact CG-CB 4.32Å; L168-V185 HydrophobicContact CG-CG1 4.13Å; L168-V185 HydrophobicContact CG-CG2 4.05Å; I183-V185 PolarHBondContact O-N 2.78Å; I183-V185 VanDerWaalsContact O-N 3.16Å
186	S	96.9	Very high	97.7	Very high	45 Å²	45	35.7 Å²	35.7	32%	0.315	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-35.1	-175.8	77	0	0	0	0	111.6	D184 S391 S392	D184-S186 PolarHBondContact O-N 2.87Å; D184-S186 WeakPolarHBondContact OD1-CB 3.35Å; D184-S186 PolarHBondContact OD1-N 2.76Å; D184-S186 PolarHBondContact OD1-OG 3.42Å; S186-S391 CarbonylContact O-C 3.43Å; S186-S391 VanDerWaalsContact O-CA 3.23Å; S186-S391 WeakPolarHBondContact O-CA 3.47Å; S186-S392 VanDerWaalsContact C-OG 3.24Å; S186-S392 PolarHBondContact O-N 2.64Å; S186-S392 PolarHBondContact O-OG 2.93Å; S186-S392 WeakPolarHBondContact OG-CB 3.46Å; S186-S392 PolarHBondContact OG-OG 3.1Å
187	K	97.5	Very high	97.7	Very high	61 Å²	61	29.3 Å²	29.3	27%	0.265	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-40	-177.9	-173.4	169.2	-170.2	156.9	0	113.3	D184 S391 S392 M393 E398	D184-K187 HydrophobicContact CB-CB 4.04Å; D184-K187 VanDerWaalsContact CG-CB 3.5Å; D184-K187 PolarHBondContact O-N 2.98Å; D184-K187 PolarHBondContact OD1-N 2.85Å; D184-K187 VanDerWaalsContact OD1-N 3.14Å; D184-K187 WeakPolarHBondContact OD2-CB 3.31Å; K187-S391 WeakPolarHBondContact O-CB 3.5Å; K187-S392 PolarHBondContact N-OG 2.8Å; K187-M393 HydrophobicContact CG-CE 4.45Å; K187-M393 HydrophobicContact CG-CG 4.04Å; K187-M393 HydrophobicContact CG-SD 4.09Å; K187-E398 IonicContact NZ-OE1 2.92Å; K187-E398 PolarHBondContact NZ-OE1 3.01Å
188	L	98.2	Very high	97.8	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.01	16%	0.161	C	C	.	.			trans	-77.5	149.9	-176.7	-74.4	139	0	0	0	112	L132 K134 L168 I183 D184 T192 L194 F213	L132-L188 HydrophobicContact CD1-CB 4.17Å; L132-L188 HydrophobicContact CD1-CD2 3.61Å; L132-L188 HydrophobicContact CD1-CG 4.35Å; K134-L188 WeakPolarHBondContact CD-O 3.38Å; K134-L188 PolarHBondContact NZ-O 3.5Å; L168-L188 HydrophobicContact CD1-CB 4.3Å; L168-L188 HydrophobicContact CD1-CD1 4.17Å; I183-L188 HydrophobicContact CD1-CD1 4.03Å; I183-L188 HydrophobicContact CG1-CD1 3.54Å; D184-L188 VanDerWaalsContact O-CD1 3.32Å; D184-L188 WeakPolarHBondContact O-CD1 3.34Å; D184-L188 PolarHBondContact O-N 3.2Å; D184-L188 VanDerWaalsContact O-N 3.14Å; L188-T192 HydrophobicContact CD2-CG2 4.32Å; L188-L194 HydrophobicContact CD2-CD1 4.37Å; L188-F213 HydrophobicContact CD2-CE1 3.88Å; L188-F213 HydrophobicContact CD2-CZ 3.85Å
189	V	98.3	Very high	97.7	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.006	14%	0.144	C	C	.	.			trans	-127.1	158.6	179.5	-62	0	0	0	0	112	T192 I387 W402 P411 T412	V189-T192 WeakPolarHBondContact O-CB 3.46Å; V189-T192 PolarHBondContact O-N 3.3Å; V189-T192 PolarHBondContact O-OG1 2.9Å; V189-I387 HydrophobicContact CG1-CG2 4.29Å; V189-W402 HydrophobicContact CG2-CH2 3.4Å; V189-W402 HydrophobicContact CG2-CZ2 4.35Å; V189-W402 HydrophobicContact CG2-CZ3 3.84Å; V189-P411 HydrophobicContact CG2-CG 4.34Å; V189-T412 HydrophobicContact CB-CG2 3.94Å; V189-T412 HydrophobicContact CG2-CG2 3.64Å
190	T	97.9	Very high	97.7	Very high	7 Å²	7	24.8 Å²	24.8	4%	0.043	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	143.1	174.9	-65.3	0	0	0	0	111.8	L132 F133 K134 T192 P411 D415	L132-T190 CarbonylContact O-C 3.56Å; L132-T190 WeakPolarHBondContact O-CA 3.21Å; F133-T190 HydrophobicContact CD2-CG2 4.08Å; K134-T190 WeakPolarHBondContact CB-OG1 3.39Å; K134-T190 PolarHBondContact N-OG1 3.29Å; T190-T192 VanDerWaalsContact C-N 3.31Å; T190-T192 PolarHBondContact O-N 2.9Å; T190-P411 CarbonylContact O-C 3.51Å; T190-D415 HydrophobicContact CG2-CB 4Å
191	G	97.8	Very high	97.6	Very high	1 Å²	1	25 Å²	25	1%	0.01	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.6	-2.7	176.8	0	0	0	0	0	115.1	R92 L132 P411	R92-G191 PolarHBondContact NH1-O 3.34Å; L132-G191 PolarHBondContact O-N 3.06Å; G191-P411 WeakPolarHBondContact CA-O 3.32Å
192	T	98.6	Very high	97.5	Very high	1 Å²	1	30 Å²	30	1%	0.006	16%	0.16	C	C	.	.			trans	-67.5	128.6	171.1	-52.1	0	0	0	0	110.1	L132 L188 V189 T190 F213 W402 V406	L132-T192 PolarHBondContact N-O 3.11Å; L188-T192 HydrophobicContact CD2-CG2 4.32Å; V189-T192 WeakPolarHBondContact O-CB 3.46Å; V189-T192 PolarHBondContact O-N 3.3Å; V189-T192 PolarHBondContact O-OG1 2.9Å; T190-T192 VanDerWaalsContact C-N 3.31Å; T190-T192 PolarHBondContact O-N 2.9Å; T192-F213 HydrophobicContact CG2-CD1 4.32Å; T192-F213 HydrophobicContact CG2-CE1 3.94Å; T192-W402 HydrophobicContact CG2-CH2 4.47Å; T192-W402 HydrophobicContact CG2-CZ2 4.17Å; T192-W402 WeakPolarHBondContact OG1-CH2 3.23Å; T192-V406 HydrophobicContact CG2-CB 4.35Å; T192-V406 HydrophobicContact CG2-CG1 4.03Å
193	V	98.6	Very high	97.4	Very high	5 Å²	5	29.6 Å²	29.6	3%	0.03	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	126.7	173.6	-164.6	0	0	0	0	108.9	R92 L93 M96 L100 V129 G130 T131	R92-V193 HydrophobicContact CG-CG2 3.91Å; L93-V193 HydrophobicContact CD1-CG1 3.69Å; M96-V193 HydrophobicContact CB-CB 4.16Å; M96-V193 HydrophobicContact CB-CG1 3.94Å; M96-V193 HydrophobicContact CB-CG2 4.47Å; M96-V193 HydrophobicContact CE-CB 4.46Å; M96-V193 HydrophobicContact CG-CB 4.35Å; M96-V193 HydrophobicContact CG-CG2 4.35Å; L100-V193 HydrophobicContact CD1-CB 4.08Å; L100-V193 HydrophobicContact CD1-CG1 3.48Å; L100-V193 VanDerWaalsContact CD1-CG1 3.48Å; V129-V193 HydrophobicContact CG1-CG1 4.41Å; G130-V193 WeakPolarHBondContact O-CA 3.32Å; G130-V193 WeakPolarHBondContact O-CG1 3.48Å; T131-V193 HydrophobicContact CG2-CG2 4.44Å
194	L	98.7	Very high	97.2	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	165.2	-176.6	77.7	174.9	0	0	0	111.7	V129 G130 L132 L170 I183 L188 V196 Y211 F213	V129-L194 WeakPolarHBondContact CA-O 3.49Å; G130-L194 PolarHBondContact N-O 2.98Å; G130-L194 PolarHBondContact O-N 2.72Å; G130-L194 VanDerWaalsContact O-N 3.15Å; L132-L194 HydrophobicContact CD1-CD1 4.02Å; L132-L194 HydrophobicContact CD1-CD2 3.63Å; L132-L194 HydrophobicContact CD1-CG 4.5Å; L132-L194 HydrophobicContact CD2-CD2 3.99Å; L132-L194 HydrophobicContact CG-CD2 3.43Å; L132-L194 VanDerWaalsContact CG-CD2 3.43Å; L170-L194 HydrophobicContact CD1-CD2 3.95Å; I183-L194 HydrophobicContact CD1-CD1 4.44Å; L188-L194 HydrophobicContact CD2-CD1 4.37Å; L194-V196 HydrophobicContact CD1-CG1 3.93Å; L194-V196 HydrophobicContact CD2-CG1 4.43Å; L194-V196 HydrophobicContact CG-CG1 3.9Å; L194-Y211 HydrophobicContact CD1-CD2 3.95Å; L194-Y211 HydrophobicContact CD1-CG 4.23Å; L194-F213 HydrophobicContact CB-CD1 3.86Å; L194-F213 HydrophobicContact CB-CE1 4.03Å; L194-F213 HydrophobicContact CD1-CE1 4.19Å
195	A	98.6	Very high	97.2	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	130.7	167.1	0	0	0	0	0	108.9	L100 A104 W108 V128 V129 Y211 C212	L100-A195 HydrophobicContact CB-CB 4.4Å; L100-A195 HydrophobicContact CD2-CB 4.5Å; A104-A195 HydrophobicContact CB-CB 4.21Å; W108-A195 HydrophobicContact CH2-CB 4.19Å; W108-A195 HydrophobicContact CZ3-CB 4.09Å; V128-A195 CarbonylContact O-C 3.6Å; V128-A195 WeakPolarHBondContact O-CA 3.25Å; V129-A195 HydrophobicContact CG2-CB 4.08Å; A195-Y211 CarbonylContact O-C 3.25Å; A195-Y211 WeakPolarHBondContact O-CA 3.36Å; A195-Y211 WeakPolarHBondContact O-CB 3.34Å; A195-C212 PolarHBondContact N-O 2.62Å; A195-C212 PolarHBondContact O-N 2.95Å
196	V	98.4	Very high	97.3	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	138.8	174.9	-59.2	0	0	0	0	110	C127 V128 L170 L194 F206 V208	C127-V196 CarbonylContact C-O 3.57Å; C127-V196 VanDerWaalsContact CA-O 3.28Å; C127-V196 WeakPolarHBondContact CA-O 3.39Å; V128-V196 HydrophobicContact CB-CG2 4.05Å; V128-V196 PolarHBondContact N-O 3.12Å; V128-V196 PolarHBondContact O-N 3.1Å; L170-V196 HydrophobicContact CD2-CG2 3.62Å; L194-V196 HydrophobicContact CD1-CG1 3.93Å; L194-V196 HydrophobicContact CD2-CG1 4.43Å; L194-V196 HydrophobicContact CG-CG1 3.9Å; V196-F206 HydrophobicContact CB-CE1 4.44Å; V196-F206 HydrophobicContact CG2-CD1 4.28Å; V196-F206 HydrophobicContact CG2-CE1 3.85Å; V196-F206 HydrophobicContact CG2-CZ 4.35Å; V196-V208 HydrophobicContact CB-CG1 4.49Å; V196-V208 HydrophobicContact CB-CG2 4.39Å
197	F	98.5	Very high	97.4	Very high	46 Å²	46	29 Å²	29	20%	0.202	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	132.4	175.8	-178.8	-100.6	0	0	0	110.4	W108 V112 K125 C126 E209 D210	W108-F197 HydrophobicContact CD2-CB 3.98Å; W108-F197 HydrophobicContact CD2-CD2 4.48Å; W108-F197 HydrophobicContact CD2-CG 4.32Å; W108-F197 HydrophobicContact CE3-CB 4.04Å; W108-F197 HydrophobicContact CE3-CD2 4.44Å; W108-F197 HydrophobicContact CH2-CB 3.59Å; W108-F197 HydrophobicContact CZ2-CB 3.52Å; W108-F197 HydrophobicContact CZ3-CB 3.86Å; V112-F197 HydrophobicContact CG2-CD2 4.02Å; V112-F197 HydrophobicContact CG2-CE2 4.12Å; K125-F197 HydrophobicContact CB-CE2 4.43Å; K125-F197 HydrophobicContact CB-CZ 4.05Å; K125-F197 HydrophobicContact CD-CE1 4.38Å; K125-F197 HydrophobicContact CD-CZ 4.34Å; C126-F197 WeakPolarHBondContact O-CA 3.27Å; C126-F197 WeakPolarHBondContact O-CD2 3.38Å; F197-E209 HydrophobicContact CD1-CB 4.45Å; F197-E209 PolarHBondContact O-N 3.21Å; F197-D210 PolarHBondContact N-O 3Å; F197-D210 PolarHBondContact O-N 2.77Å
198	G	98.1	Very high	97.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.1	-157.2	-175.3	0	0	0	0	0	113.5	K125 C126 F206 L207	K125-G198 WeakPolarHBondContact CA-O 3.2Å; C126-G198 PolarHBondContact N-O 2.76Å; C126-G198 PolarHBondContact O-N 2.74Å; G198-F206 VanDerWaalsContact C-CZ 3.41Å; G198-L207 WeakPolarHBondContact CA-O 3.34Å
199	S	97.7	Very high	97.4	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	153.6	179.3	55.9	0	0	0	0	112.4	E124 K125 L207	E124-S199 WeakPolarHBondContact O-CA 3.39Å; E124-S199 WeakPolarHBondContact O-CB 3.27Å; K125-S199 PolarHBondContact NZ-OG 3.26Å; S199-L207 PolarHBondContact N-O 2.64Å; S199-L207 PolarHBondContact O-N 3.06Å
200	V	97.7	Very high	97.4	Very high	21 Å²	21	33 Å²	33	13%	0.127	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	134.9	172.3	-178.5	0	0	0	0	109.5	L120 E123 I177 F206	L120-V200 HydrophobicContact CB-CG2 3.76Å; L120-V200 HydrophobicContact CD1-CG2 3.63Å; L120-V200 HydrophobicContact CG-CG2 4.24Å; E123-V200 PolarHBondContact N-O 2.97Å; I177-V200 HydrophobicContact CD1-CG2 3.95Å; V200-F206 HydrophobicContact CG2-CD2 3.98Å
201	R	95.6	Very high	97.4	Very high	67 Å²	67	35.4 Å²	35.4	25%	0.253	18%	0.184	S	C	.	.			trans	-104.2	167.3	178.4	-59.8	-56.9	-172.2	168.7	-4.7	111.4	E123 D203 G204 K205 L207	E123-R201 WeakPolarHBondContact OE1-CD 3.39Å; E123-R201 IonicContact OE1-CZ 3.84Å; E123-R201 IonicContact OE1-NE 3.58Å; E123-R201 IonicContact OE1-NH1 2.57Å; E123-R201 PolarHBondContact OE1-NH1 2.96Å; E123-R201 IonicContact OE2-CZ 2.87Å; E123-R201 IonicContact OE2-NH1 2.82Å; E123-R201 PolarHBondContact OE2-NH1 3.36Å; R201-D203 WeakPolarHBondContact CB-OD1 3.35Å; R201-D203 PolarHBondContact O-N 3.06Å; R201-D203 VanDerWaalsContact O-N 3.09Å; R201-G204 PolarHBondContact O-N 3.23Å; R201-K205 PolarHBondContact N-O 2.92Å; R201-L207 HydrophobicContact CG-CB 3.76Å; R201-L207 VanDerWaalsContact NE-CD2 3.32Å
202	D	93.5	Very high	97.4	Very high	153 Å²	153	36.1 Å²	36.1	82%	0.818	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-23.3	-178.6	-59.1	-30.5	0	0	0	114.5	G204	D202-G204 PolarHBondContact O-N 2.97Å
203	D	93.5	Very high	97.4	Very high	84 Å²	84	38.2 Å²	38.2	45%	0.449	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	6.1	175.1	69.4	-21.5	0	0	0	113.6	K180 R201 K205	K180-D203 IonicContact NZ-OD1 2.61Å; K180-D203 PolarHBondContact NZ-OD1 2.77Å; K180-D203 IonicContact NZ-OD2 3.76Å; K180-D203 PolarHBondContact NZ-OD2 3.35Å; R201-D203 WeakPolarHBondContact CB-OD1 3.35Å; R201-D203 PolarHBondContact O-N 3.06Å; R201-D203 VanDerWaalsContact O-N 3.09Å; D203-K205 PolarHBondContact O-N 3.04Å; D203-K205 PolarHBondContact OD1-N 3.14Å; D203-K205 WeakPolarHBondContact OD2-CD 3.38Å
204	G	93.3	Very high	97.4	Very high	48 Å²	48	38 Å²	38	50%	0.495	20%	0.196	S	C	.	.	S	Bend	trans	73.9	8.4	-179.7	0	0	0	0	0	114.4	R201 D202	R201-G204 PolarHBondContact O-N 3.23Å; D202-G204 PolarHBondContact O-N 2.97Å
205	K	97.1	Very high	97.3	Very high	71 Å²	71	39.7 Å²	39.7	31%	0.309	21%	0.206	S	C	.	.			trans	-97.9	150.8	177.4	-55.4	-173.2	-174.7	-179.4	0	110.8	K178 K180 R201 D203	K178-K205 HydrophobicContact CB-CD 4.4Å; K178-K205 HydrophobicContact CB-CG 4.13Å; K180-K205 HydrophobicContact CD-CB 4.04Å; K180-K205 HydrophobicContact CD-CD 4.22Å; K180-K205 HydrophobicContact CG-CB 4.13Å; R201-K205 PolarHBondContact N-O 2.92Å; D203-K205 PolarHBondContact O-N 3.04Å; D203-K205 PolarHBondContact OD1-N 3.14Å; D203-K205 WeakPolarHBondContact OD2-CD 3.38Å
206	F	98.3	Very high	97.3	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	118	173.1	-163.6	-87.4	0	0	0	109.5	L120 V128 I177 K178 L179 K180 V196 G198 V200 V208	L120-F206 HydrophobicContact CD1-CD2 4.1Å; L120-F206 HydrophobicContact CD1-CE2 4.25Å; L120-F206 HydrophobicContact CD2-CE2 4.34Å; V128-F206 HydrophobicContact CG2-CE2 3.91Å; V128-F206 HydrophobicContact CG2-CZ 4.14Å; I177-F206 HydrophobicContact CD1-CB 3.89Å; I177-F206 HydrophobicContact CD1-CD2 4.42Å; I177-F206 HydrophobicContact CG1-CB 4.09Å; I177-F206 HydrophobicContact CG2-CB 4.2Å; K178-F206 PolarHBondContact O-N 2.92Å; L179-F206 HydrophobicContact CD2-CB 3.87Å; L179-F206 HydrophobicContact CD2-CD1 4.21Å; L179-F206 HydrophobicContact CD2-CG 4.36Å; K180-F206 PolarHBondContact N-O 2.72Å; V196-F206 HydrophobicContact CB-CE1 4.44Å; V196-F206 HydrophobicContact CG2-CD1 4.28Å; V196-F206 HydrophobicContact CG2-CE1 3.85Å; V196-F206 HydrophobicContact CG2-CZ 4.35Å; G198-F206 VanDerWaalsContact C-CZ 3.41Å; V200-F206 HydrophobicContact CG2-CD2 3.98Å; F206-V208 HydrophobicContact CD1-CG2 3.96Å; F206-V208 HydrophobicContact CE1-CG2 4.43Å; F206-V208 PolarHBondContact O-N 3.19Å
207	L	98.5	Very high	97.3	Very high	41 Å²	41	39.8 Å²	39.8	22%	0.215	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	106.4	172.7	-177.6	77.3	0	0	0	109.2	K180 G198 S199 R201	K180-L207 HydrophobicContact CD-CD1 4.3Å; K180-L207 HydrophobicContact CG-CB 4.4Å; K180-L207 HydrophobicContact CG-CD1 3.95Å; K180-L207 CarbonylContact O-C 3.58Å; K180-L207 WeakPolarHBondContact O-CA 3.42Å; G198-L207 WeakPolarHBondContact CA-O 3.34Å; S199-L207 PolarHBondContact N-O 2.64Å; S199-L207 PolarHBondContact O-N 3.06Å; R201-L207 HydrophobicContact CG-CB 3.76Å; R201-L207 VanDerWaalsContact NE-CD2 3.32Å
208	V	98.5	Very high	97.2	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.012	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	129.3	173.5	-175.7	0	0	0	0	109.3	L179 K180 T182 I183 V196 F206 D210 Y211	L179-V208 HydrophobicContact CB-CG2 4.23Å; L179-V208 HydrophobicContact CD1-CG2 4.4Å; L179-V208 HydrophobicContact CD2-CG2 4.04Å; L179-V208 HydrophobicContact CG-CG2 4.46Å; K180-V208 PolarHBondContact O-N 3.11Å; T182-V208 PolarHBondContact N-O 2.83Å; T182-V208 VanDerWaalsContact N-O 3.12Å; T182-V208 PolarHBondContact OG1-O 2.84Å; T182-V208 VanDerWaalsContact OG1-O 3.1Å; I183-V208 HydrophobicContact CB-CB 4.46Å; I183-V208 HydrophobicContact CB-CG1 4.35Å; I183-V208 HydrophobicContact CG2-CG2 4.48Å; V196-V208 HydrophobicContact CB-CG1 4.49Å; V196-V208 HydrophobicContact CB-CG2 4.39Å; F206-V208 HydrophobicContact CD1-CG2 3.96Å; F206-V208 HydrophobicContact CE1-CG2 4.43Å; F206-V208 PolarHBondContact O-N 3.19Å; V208-D210 WeakPolarHBondContact CG1-O 3.32Å; V208-Y211 HydrophobicContact CG1-CD1 4.32Å
209	E	98.1	Very high	97.2	Very high	89 Å²	89	42.5 Å²	42.5	42%	0.416	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	-37.2	169.5	-70.4	-179.5	164.9	0	0	111.2	K125 T182 F197	K125-E209 WeakPolarHBondContact CE-OE1 3.26Å; K125-E209 WeakPolarHBondContact CE-OE2 3.39Å; K125-E209 IonicContact NZ-OE1 2.76Å; K125-E209 PolarHBondContact NZ-OE1 2.82Å; K125-E209 IonicContact NZ-OE2 3.99Å; K125-E209 PolarHBondContact NZ-OE2 2.94Å; T182-E209 WeakPolarHBondContact OG1-CA 3.47Å; T182-E209 PolarHBondContact OG1-O 2.85Å; F197-E209 HydrophobicContact CD1-CB 4.45Å; F197-E209 PolarHBondContact O-N 3.21Å
210	D	98.3	Very high	97	Very high	57 Å²	57	48.9 Å²	48.9	31%	0.305	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	162.8	178.1	-168.5	22.9	0	0	0	111	H107 W108 F197 V208	H107-D210 IonicContact CE1-OD2 3.82Å; H107-D210 PolarHBondContact CE1-OD2 3.41Å; H107-D210 VanDerWaalsContact CE1-OD2 3.28Å; H107-D210 IonicContact ND1-OD2 2.73Å; H107-D210 IonicContact NE2-OD2 2.63Å; W108-D210 HydrophobicContact CZ2-CB 4.11Å; W108-D210 PolarHBondContact NE1-OD2 3.42Å; F197-D210 PolarHBondContact N-O 3Å; F197-D210 PolarHBondContact O-N 2.77Å; V208-D210 WeakPolarHBondContact CG1-O 3.32Å
211	Y	98.4	Very high	96.8	Very high	58 Å²	58	53.5 Å²	53.5	23%	0.227	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	153.6	175.8	62.6	-86.9	0	0	0	111.9	I183 L194 A195 V208 F213	I183-Y211 HydrophobicContact CB-CD1 4.43Å; I183-Y211 HydrophobicContact CB-CE1 4.33Å; I183-Y211 HydrophobicContact CG1-CD1 4.12Å; I183-Y211 HydrophobicContact CG1-CE1 4.01Å; L194-Y211 HydrophobicContact CD1-CD2 3.95Å; L194-Y211 HydrophobicContact CD1-CG 4.23Å; A195-Y211 CarbonylContact O-C 3.25Å; A195-Y211 WeakPolarHBondContact O-CA 3.36Å; A195-Y211 WeakPolarHBondContact O-CB 3.34Å; V208-Y211 HydrophobicContact CG1-CD1 4.32Å; Y211-F213 HydrophobicContact CD2-CE1 4.44Å; Y211-F213 HydrophobicContact CD2-CE2 4.44Å; Y211-F213 HydrophobicContact CD2-CZ 4.08Å; Y211-F213 HydrophobicContact CE2-CE1 4.47Å; Y211-F213 HydrophobicContact CE2-CE2 4Å; Y211-F213 AromaticContact CE2-CZ 3.7Å; Y211-F213 HydrophobicContact CE2-CZ 3.7Å
212	C	98	Very high	96.7	Very high	15 Å²	15	52 Å²	52	10%	0.101	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	153.9	175.2	68.7	0	0	0	0	113.1	A195	A195-C212 PolarHBondContact N-O 2.62Å; A195-C212 PolarHBondContact O-N 2.95Å
213	F	98.3	Very high	96.8	Very high	45 Å²	45	48.3 Å²	48.3	20%	0.197	27%	0.27	C	S	.	.			trans	-100	173.8	176.5	-56.3	-63.3	0	0	0	111.7	L100 L188 T192 L194 Y211 D215 R405 V406	L100-F213 VanDerWaalsContact CD2-C 3.47Å; L188-F213 HydrophobicContact CD2-CE1 3.88Å; L188-F213 HydrophobicContact CD2-CZ 3.85Å; T192-F213 HydrophobicContact CG2-CD1 4.32Å; T192-F213 HydrophobicContact CG2-CE1 3.94Å; L194-F213 HydrophobicContact CB-CD1 3.86Å; L194-F213 HydrophobicContact CB-CE1 4.03Å; L194-F213 HydrophobicContact CD1-CE1 4.19Å; Y211-F213 HydrophobicContact CD2-CE1 4.44Å; Y211-F213 HydrophobicContact CD2-CE2 4.44Å; Y211-F213 HydrophobicContact CD2-CZ 4.08Å; Y211-F213 HydrophobicContact CE2-CE1 4.47Å; Y211-F213 HydrophobicContact CE2-CE2 4Å; Y211-F213 AromaticContact CE2-CZ 3.7Å; Y211-F213 HydrophobicContact CE2-CZ 3.7Å; F213-D215 VanDerWaalsContact C-N 3.25Å; F213-D215 PolarHBondContact O-N 3.15Å; F213-R405 WeakPolarHBondContact CB-O 3.35Å; F213-V406 HydrophobicContact CD1-CG1 3.79Å; F213-V406 HydrophobicContact CD2-CG1 4.44Å; F213-V406 HydrophobicContact CE1-CG1 3.99Å; F213-V406 HydrophobicContact CG-CG1 4.03Å; F213-V406 HydrophobicContact CZ-CG1 4.39Å
214	A	97.9	Very high	96.8	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	29%	0.287	C	S	.	.			trans	-70.5	-22.4	179.2	0	0	0	0	0	113.3	M96 F99 L100 R103 R407	M96-A214 HydrophobicContact CE-CB 3.7Å; F99-A214 HydrophobicContact CB-CB 4.1Å; L100-A214 HydrophobicContact CD2-CB 4.1Å; L100-A214 VanDerWaalsContact CD2-N 3.34Å; L100-A214 HydrophobicContact CG-CB 4.31Å; R103-A214 PolarHBondContact NE-O 3.06Å; A214-R407 HydrophobicContact CB-CB 3.83Å
215	D	97.6	Very high	96.7	Very high	36 Å²	36	49.8 Å²	49.8	19%	0.193	27%	0.273	C	S	.	.			trans	58	-169.7	-175.7	-147.1	-22.8	0	0	0	112.8	F213 R405 R407 P453	F213-D215 VanDerWaalsContact C-N 3.25Å; F213-D215 PolarHBondContact O-N 3.15Å; D215-R405 WeakPolarHBondContact CA-O 3.32Å; D215-R405 PolarHBondContact N-O 2.93Å; D215-R405 WeakPolarHBondContact OD1-CD 3.3Å; D215-R405 IonicContact OD1-CZ 2.71Å; D215-R405 IonicContact OD1-NH1 3.75Å; D215-R405 PolarHBondContact OD1-NH1 2.86Å; D215-R405 IonicContact OD2-NH1 3.76Å; D215-R407 WeakPolarHBondContact O-CB 3.3Å; D215-P453 VanDerWaalsContact OD2-CG 3.23Å; D215-P453 WeakPolarHBondContact OD2-CG 3.46Å
216	L	98.1	Very high	96.5	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.005	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-60.3	139.9	-175.4	-53.3	-165.7	0	0	0	112.3	L404 I450 Q456 V458	L216-L404 HydrophobicContact CD2-CB 4.39Å; L216-L404 HydrophobicContact CD2-CD2 3.85Å; L216-L404 HydrophobicContact CD2-CG 3.56Å; L216-I450 HydrophobicContact CD1-CD1 4.43Å; L216-I450 HydrophobicContact CD2-CD1 4.44Å; L216-Q456 HydrophobicContact CD1-CB 4.05Å; L216-V458 HydrophobicContact CD1-CG2 4.19Å
217	A	97.8	Very high	96.1	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.008	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-69	167.1	169	0	0	0	0	0	111.6	F430 C433 Q456	A217-F430 HydrophobicContact CB-CB 4.28Å; A217-C433 HydrophobicContact CB-CB 4.29Å; A217-C433 VanDerWaalsContact O-CB 3.23Å; A217-C433 WeakPolarHBondContact O-CB 3.38Å; A217-Q456 PolarHBondContact O-NE2 2.93Å
218	P	97.3	Very high	95.9	Very high	67 Å²	67	55.7 Å²	55.7	44%	0.435	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-57.9	143.4	172.5	-25.3	35.4	0	0	0	112.3	E432 C433	P218-E432 WeakPolarHBondContact O-CA 3.49Å; P218-C433 PolarHBondContact O-N 3.32Å
219	Q	97.6	Very high	95.7	Very high	37 Å²	37	57.3 Å²	57.3	17%	0.173	32%	0.317	C	S	.	.			trans	-127.3	121.6	-179.5	-162.2	-175.2	48.7	0	0	110.3	R375 C433 P434 H435 Q456 T457	Q219-R375 VanDerWaalsContact CG-NH2 3.26Å; Q219-C433 HydrophobicContact CB-CB 3.98Å; Q219-C433 HydrophobicContact CG-CB 4.22Å; Q219-P434 PolarHBondContact NE2-O 3.44Å; Q219-H435 PolarHBondContact NE2-CD2 3.43Å; Q219-Q456 HydrophobicContact CB-CB 4Å; Q219-Q456 HydrophobicContact CB-CG 3.54Å; Q219-Q456 VanDerWaalsContact OE1-CA 3.29Å; Q219-T457 PolarHBondContact NE2-O 3.15Å; Q219-T457 PolarHBondContact OE1-O 2.72Å
220	K	93.6	Very high	95.7	Very high	133 Å²	133	53.1 Å²	53.1	58%	0.578	30%	0.297	S	S	*	.	P	Polyproline II helix	trans	-78.8	130.6	167.8	-67.3	171.3	-176.2	138.1	0	108.4	R375 E432 H435	K220-R375 PolarHBondContact O-NH2 3.39Å; K220-E432 IonicContact NZ-OE1 3.76Å; K220-E432 PolarHBondContact NZ-OE1 3.01Å; K220-H435 PolarHBondContact O-CE1 3.18Å; K220-H435 VanDerWaalsContact O-CE1 3.25Å; K220-H435 PolarHBondContact O-NE2 2.96Å
221	P	94.2	Very high	95.7	Very high	118 Å²	118	50.4 Å²	50.4	77%	0.766	28%	0.283	S	S	*	.	P	Polyproline II helix	trans	-57.3	142.8	178.2	-24.8	33.8	0	0	0	112.5
222	A	93.8	Very high	95.7	Very high	37 Å²	37	47.9 Å²	47.9	31%	0.306	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-68.8	142.8	169.9	0	0	0	0	0	110.3	V374 H435	A222-V374 HydrophobicContact CB-CG2 4.41Å; A222-H435 PolarHBondContact N-CE1 2.85Å; A222-H435 PolarHBondContact N-NE2 3.04Å
223	P	94.1	Very high	95.8	Very high	75 Å²	75	47.1 Å²	47.1	49%	0.487	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-64.6	146.3	170.9	29.4	-34.1	0	0	0	110.1
224	P	93.7	Very high	95.8	Very high	123 Å²	123	45 Å²	45	80%	0.799	26%	0.259	S	S	*	.	P	Polyproline II helix	trans	-66	147.2	174	29.4	-34.4	0	0	0	110.5
225	L	92.8	Very high	95.8	Very high	40 Å²	40	45.1 Å²	45.1	21%	0.209	26%	0.259	C	S	.	.			trans	-108.5	140.5	173.1	-61.5	178.7	0	0	0	110	D372 L477 R478	L225-D372 HydrophobicContact CD1-CB 4.28Å; L225-D372 HydrophobicContact CD2-CB 4.26Å; L225-L477 HydrophobicContact CD1-CB 3.63Å; L225-R478 HydrophobicContact CB-CB 4.23Å; L225-R478 HydrophobicContact CB-CG 4.26Å; L225-R478 WeakPolarHBondContact O-CD 3.29Å; L225-R478 WeakPolarHBondContact O-CG 3.45Å
226	D	91.4	Very high	95.8	Very high	150 Å²	150	43.4 Å²	43.4	80%	0.802	25%	0.25	S	S	*	.	S	Bend	trans	-77.1	-43.8	-179.5	-59.5	-35.8	0	0	0	111.6	R478	D226-R478 PolarHBondContact O-NH1 3.48Å
227	T	91.4	Very high	95.8	Very high	69 Å²	69	43.5 Å²	43.5	42%	0.423	25%	0.251	S	S	.	.	S	Bend	trans	-109	145.5	179.9	58	0	0	0	0	111.1	R229	T227-R229 PolarHBondContact O-N 2.78Å; T227-R229 PolarHBondContact OG1-NE 2.94Å
228	D	93.2	Very high	95.6	Very high	16 Å²	16	43.8 Å²	43.8	9%	0.086	25%	0.254	C	S	.	.			trans	-62.3	136.5	171.4	-62.1	-59.3	0	0	0	110.7	Q40 F230 N476 R478	Q40-D228 VanDerWaalsContact NE2-CG 3.32Å; Q40-D228 PolarHBondContact NE2-OD2 3.41Å; D228-F230 HydrophobicContact CB-CE2 4.15Å; D228-F230 HydrophobicContact CB-CZ 4.28Å; D228-N476 VanDerWaalsContact CG-ND2 3.29Å; D228-N476 PolarHBondContact OD1-ND2 3.23Å; D228-N476 PolarHBondContact OD1-OD1 2.89Å; D228-R478 IonicContact OD1-CZ 2.84Å; D228-R478 IonicContact OD1-NE 2.76Å; D228-R478 PolarHBondContact OD1-NE 2.92Å; D228-R478 IonicContact OD1-NH2 3.8Å; D228-R478 PolarHBondContact OD1-NH2 3.03Å; D228-R478 IonicContact OD2-CZ 3.25Å; D228-R478 IonicContact OD2-NE 3.88Å; D228-R478 IonicContact OD2-NH2 2.77Å; D228-R478 PolarHBondContact OD2-NH2 3.18Å
229	R	95.2	Very high	95.4	Very high	37 Å²	37	40.8 Å²	40.8	14%	0.14	23%	0.234	C	C	.	.			trans	-132.7	138.1	175.6	-60.9	-60.5	-179.9	106.8	-6.5	107.5	V62 P63 T227 L477	V62-R229 VanDerWaalsContact CB-NH1 3.35Å; P63-R229 PolarHBondContact O-NH1 3.01Å; T227-R229 PolarHBondContact O-N 2.78Å; T227-R229 PolarHBondContact OG1-NE 2.94Å; R229-L477 HydrophobicContact CB-CB 4.37Å; R229-L477 HydrophobicContact CB-CD1 4.1Å; R229-L477 HydrophobicContact CB-CG 4.37Å; R229-L477 WeakPolarHBondContact O-CG 3.4Å; R229-L477 PolarHBondContact O-N 3.07Å
230	F	97.5	Very high	94.8	Very high	1 Å²	1	40.7 Å²	40.7	0%	0.004	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	142.7	-176.5	-59.8	-90.5	0	0	0	111.8	F37 D228 H272 V273 S274 L474 V475 N476	F37-F230 HydrophobicContact CB-CE1 4.22Å; F37-F230 HydrophobicContact CB-CZ 4.5Å; D228-F230 HydrophobicContact CB-CE2 4.15Å; D228-F230 HydrophobicContact CB-CZ 4.28Å; F230-H272 HydrophobicContact CD2-CB 3.97Å; F230-H272 HydrophobicContact CE2-CB 4.22Å; F230-H272 PolarHBondContact N-O 3.31Å; F230-V273 HydrophobicContact CB-CG2 4.16Å; F230-V273 CarbonylContact O-C 3.42Å; F230-V273 WeakPolarHBondContact O-CA 3.43Å; F230-S274 PolarHBondContact O-N 3.11Å; F230-L474 HydrophobicContact CB-CD2 4.23Å; F230-L474 HydrophobicContact CD1-CB 4.45Å; F230-V475 CarbonylContact C-O 3.59Å; F230-V475 VanDerWaalsContact CA-O 3.3Å; F230-V475 WeakPolarHBondContact CA-O 3.23Å; F230-N476 HydrophobicContact CD1-CB 4.01Å; F230-N476 HydrophobicContact CE1-CB 3.77Å
231	V	98.6	Very high	94	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	125.5	164.8	175	0	0	0	0	107.8	L233 R275 I277 I371 F376 V475 L477	V231-L233 HydrophobicContact CG1-CD2 3.97Å; V231-R275 WeakPolarHBondContact CA-O 3.25Å; V231-R275 HydrophobicContact CG2-CB 4.46Å; V231-I277 HydrophobicContact CG1-CD1 3.96Å; V231-I277 HydrophobicContact CG1-CG1 4.14Å; V231-I371 HydrophobicContact CG2-CD1 4.15Å; V231-I371 HydrophobicContact CG2-CG2 4.03Å; V231-F376 HydrophobicContact CB-CE1 4.48Å; V231-F376 HydrophobicContact CB-CZ 4.27Å; V231-F376 HydrophobicContact CG1-CE1 4.31Å; V231-F376 HydrophobicContact CG2-CZ 4.15Å; V231-V475 PolarHBondContact N-O 3.25Å; V231-V475 PolarHBondContact O-N 2.76Å; V231-L477 HydrophobicContact CG2-CD1 4.04Å; V231-L477 HydrophobicContact CG2-CD2 3.84Å; V231-L477 HydrophobicContact CG2-CG 4.17Å
232	L	98.8	Very high	92.7	Very high	4 Å²	4	33.2 Å²	33.2	2%	0.021	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	123.1	174	179.6	68.5	0	0	0	109.4	V234 L253 V257 V273 R275 V276 I277 A472 C473 L474	L232-V234 HydrophobicContact CD1-CG2 4.39Å; L232-V234 HydrophobicContact CD2-CG2 4.08Å; L232-V234 HydrophobicContact CG-CG2 3.88Å; L232-L253 HydrophobicContact CD2-CD1 3.98Å; L232-V257 HydrophobicContact CD2-CG2 3.38Å; L232-V273 HydrophobicContact CB-CG1 4.22Å; L232-R275 PolarHBondContact N-O 2.86Å; L232-V276 HydrophobicContact CB-CG2 4.26Å; L232-V276 HydrophobicContact CD2-CG1 4.23Å; L232-V276 HydrophobicContact CD2-CG2 4.15Å; L232-V276 CarbonylContact O-C 3.58Å; L232-V276 WeakPolarHBondContact O-CA 3.35Å; L232-I277 PolarHBondContact O-N 3.24Å; L232-A472 HydrophobicContact CD1-CB 3.8Å; L232-C473 WeakPolarHBondContact CA-O 3.46Å; L232-L474 HydrophobicContact CB-CD2 3.78Å; L232-L474 HydrophobicContact CD1-CD2 3.65Å; L232-L474 HydrophobicContact CD1-CG 4.15Å; L232-L474 HydrophobicContact CG-CD2 4.3Å
233	L	98.9	Very high	91.5	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	127.2	173.1	-54.6	176	0	0	0	109.1	V231 I277 F438 V461 V463 C473 V475	V231-L233 HydrophobicContact CG1-CD2 3.97Å; L233-I277 HydrophobicContact CD2-CB 3.81Å; L233-I277 HydrophobicContact CD2-CD1 3.8Å; L233-I277 HydrophobicContact CD2-CG1 4.14Å; L233-I277 HydrophobicContact CD2-CG2 4.44Å; L233-F438 HydrophobicContact CD1-CB 4.14Å; L233-F438 HydrophobicContact CD1-CG 4.23Å; L233-V461 HydrophobicContact CD1-CB 4.47Å; L233-V461 HydrophobicContact CD1-CG1 4.25Å; L233-V463 HydrophobicContact CB-CG1 4.16Å; L233-V463 HydrophobicContact CB-CG2 3.72Å; L233-V463 HydrophobicContact CD1-CG2 3.88Å; L233-V463 HydrophobicContact CG-CG2 4.43Å; L233-C473 HydrophobicContact CB-CB 4.26Å; L233-C473 PolarHBondContact N-O 3.12Å; L233-C473 PolarHBondContact O-N 3.09Å; L233-V475 HydrophobicContact CD1-CG2 3.99Å; L233-V475 HydrophobicContact CG-CG2 4.5Å
234	V	98.9	Very high	90.4	Very high	1 Å²	1	33 Å²	33	1%	0.006	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	144.2	176	-166.3	0	0	0	0	107.9	L232 L237 L253 I277 L278 A279 F466 A472	L232-V234 HydrophobicContact CD1-CG2 4.39Å; L232-V234 HydrophobicContact CD2-CG2 4.08Å; L232-V234 HydrophobicContact CG-CG2 3.88Å; V234-L237 HydrophobicContact CG1-CD2 3.99Å; V234-L253 HydrophobicContact CG1-CD2 4.03Å; V234-L253 HydrophobicContact CG2-CD1 4.47Å; V234-L253 HydrophobicContact CG2-CD2 4.11Å; V234-I277 PolarHBondContact N-O 3.38Å; V234-L278 HydrophobicContact CB-CD2 3.77Å; V234-L278 HydrophobicContact CG1-CD2 4.46Å; V234-L278 HydrophobicContact CG2-CD2 4.11Å; V234-L278 CarbonylContact O-C 3.49Å; V234-L278 WeakPolarHBondContact O-CA 3.39Å; V234-A279 PolarHBondContact O-N 2.78Å; V234-F466 HydrophobicContact CG1-CB 4.1Å; V234-F466 HydrophobicContact CG1-CD2 3.91Å; V234-F466 HydrophobicContact CG1-CG 4.12Å; V234-A472 HydrophobicContact CG2-CB 3.95Å
235	S	98.6	Very high	89.4	Confident	1 Å²	1	31.7 Å²	31.7	1%	0.007	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-141.8	157.4	172.1	49.4	0	0	0	0	110.2	A279 N441 V463 P464 F466	S235-A279 WeakPolarHBondContact CB-O 3.34Å; S235-N441 PolarHBondContact OG-N 3.12Å; S235-V463 WeakPolarHBondContact OG-CG1 3.34Å; S235-V463 PolarHBondContact OG-O 3.23Å; S235-V463 VanDerWaalsContact OG-O 3.12Å; S235-P464 PolarHBondContact OG-O 2.94Å; S235-F466 WeakPolarHBondContact O-CB 3.33Å; S235-F466 PolarHBondContact O-N 3.03Å
236	G	97.3	Very high	88.9	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	22%	0.218	C	C	.	.			trans	69.1	49.7	170	0	0	0	0	0	113.3	G238 G280 N281 N441 D465 F466 S467	G236-G238 PolarHBondContact O-N 3.06Å; G236-G280 PolarHBondContact N-O 3.03Å; G236-N281 CarbonylContact C-O 3.32Å; G236-N281 VanDerWaalsContact CA-O 3.25Å; G236-N281 WeakPolarHBondContact CA-O 3.25Å; G236-N441 WeakPolarHBondContact CA-OD1 3.28Å; G236-N441 PolarHBondContact N-OD1 2.9Å; G236-D465 WeakPolarHBondContact CA-OD1 3.35Å; G236-F466 PolarHBondContact O-N 3.45Å; G236-S467 WeakPolarHBondContact O-CB 3.37Å; G236-S467 PolarHBondContact O-N 3.47Å
237	L	96.8	Very high	88.8	Confident	3 Å²	3	27.7 Å²	27.7	2%	0.016	20%	0.203	C	C	.	.			trans	-61.8	-29.2	172.9	-64.4	179.1	0	0	0	111.4	V234 L239 T250 L278 N281 L282 L314 F466	V234-L237 HydrophobicContact CG1-CD2 3.99Å; L237-L239 VanDerWaalsContact C-N 3.28Å; L237-L239 HydrophobicContact CB-CG 4.24Å; L237-L239 PolarHBondContact O-N 2.93Å; L237-T250 HydrophobicContact CD2-CG2 4.43Å; L237-L278 HydrophobicContact CD1-CD1 4.46Å; L237-N281 PolarHBondContact N-O 3.21Å; L237-L282 HydrophobicContact CD1-CD2 4.12Å; L237-L282 HydrophobicContact CG-CD2 4.35Å; L237-L314 HydrophobicContact CD1-CD1 4.22Å; L237-F466 HydrophobicContact CD2-CD1 4.28Å; L237-F466 HydrophobicContact CD2-CG 4.49Å
238	G	94.1	Very high	88.9	Confident	7 Å²	7	28.1 Å²	28.1	7%	0.072	20%	0.202	C	C	.	.			trans	64.2	27.8	170.6	0	0	0	0	0	114.5	G236 G240 G241 N281 L282 S284	G236-G238 PolarHBondContact O-N 3.06Å; G238-G240 PolarHBondContact O-N 2.99Å; G238-G241 CarbonylContact O-C 3.48Å; G238-G241 PolarHBondContact O-N 3.44Å; G238-N281 PolarHBondContact N-O 3.29Å; G238-N281 VanDerWaalsContact N-O 3.16Å; G238-L282 PolarHBondContact N-O 3.18Å; G238-S284 WeakPolarHBondContact O-CB 3.2Å
239	L	93.2	Very high	89	Confident	5 Å²	5	27.4 Å²	27.4	3%	0.026	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-60	138	-175.9	-61.4	171.1	0	0	0	111.5	L237 G241 L247 L282 L283 S284 T287 A310 L314 I317	L237-L239 VanDerWaalsContact C-N 3.28Å; L237-L239 HydrophobicContact CB-CG 4.24Å; L237-L239 PolarHBondContact O-N 2.93Å; L239-G241 VanDerWaalsContact C-N 3.31Å; L239-L247 HydrophobicContact CD2-CD2 4.43Å; L239-L282 WeakPolarHBondContact CB-O 3.02Å; L239-L282 WeakPolarHBondContact CG-O 3.42Å; L239-L282 PolarHBondContact N-O 2.92Å; L239-L283 HydrophobicContact CB-CD2 4.26Å; L239-L283 WeakPolarHBondContact O-CA 3.31Å; L239-S284 PolarHBondContact O-N 3.22Å; L239-T287 VanDerWaalsContact O-CG2 3.32Å; L239-T287 WeakPolarHBondContact O-CG2 3.1Å; L239-A310 HydrophobicContact CB-CB 4.29Å; L239-L314 HydrophobicContact CD1-CB 3.65Å; L239-L314 HydrophobicContact CD1-CD1 3.91Å; L239-L314 HydrophobicContact CD1-CG 4.31Å; L239-I317 HydrophobicContact CD1-CD1 3.91Å; L239-I317 HydrophobicContact CD2-CD1 4.07Å
240	G	85.4	Confident	89.1	Confident	35 Å²	35	25.8 Å²	25.8	36%	0.361	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.6	0.7	-173.4	0	0	0	0	0	114.5	G238 S286	G238-G240 PolarHBondContact O-N 2.99Å; G240-S286 VanDerWaalsContact C-OG 3.3Å; G240-S286 PolarHBondContact O-OG 3.32Å
241	G	75.3	Confident	89.1	Confident	24 Å²	24	29.3 Å²	29.3	25%	0.247	21%	0.209	C	C	.	.	S	Bend	trans	-135.6	163.1	164.3	0	0	0	0	0	110.5	G238 L239 S286	G238-G241 CarbonylContact O-C 3.48Å; G238-G241 PolarHBondContact O-N 3.44Å; L239-G241 VanDerWaalsContact C-N 3.31Å; G241-S286 VanDerWaalsContact CA-OG 3.28Å; G241-S286 WeakPolarHBondContact CA-OG 3.41Å; G241-S286 PolarHBondContact N-OG 2.76Å
242	G	68.3	Low	89	Confident	69 Å²	69	31 Å²	31	71%	0.711	22%	0.218	S	C	*	.	S	Bend	trans	91.9	167.1	-177.9	0	0	0	0	0	114.9
243	G	68.9	Low	89	Confident	52 Å²	52	31.3 Å²	31.3	54%	0.536	22%	0.22	S	C	.	.			trans	-89.6	172	-179.7	0	0	0	0	0	113.5	E245 S246	G243-E245 PolarHBondContact O-N 2.85Å; G243-E245 VanDerWaalsContact O-N 3.15Å; G243-S246 WeakPolarHBondContact O-CB 3.47Å; G243-S246 PolarHBondContact O-N 2.99Å; G243-S246 VanDerWaalsContact O-N 3.09Å
244	G	70.8	Confident	89	Confident	57 Å²	57	31.4 Å²	31.4	59%	0.588	22%	0.22	S	C	*	.	H	α-helix	trans	-58.7	-26.3	-176.7	0	0	0	0	0	115.4	S246 L247 L248	G244-S246 VanDerWaalsContact C-N 3.31Å; G244-S246 PolarHBondContact O-N 3.02Å; G244-L247 WeakPolarHBondContact O-CB 3.45Å; G244-L247 PolarHBondContact O-N 3.02Å; G244-L247 VanDerWaalsContact O-N 3.15Å; G244-L248 PolarHBondContact O-N 2.98Å
245	E	72.9	Confident	89	Confident	94 Å²	94	33.2 Å²	33.2	44%	0.439	23%	0.23	S	C	.	.	H	α-helix	trans	-55.1	-42.6	172.5	-80	-106.8	147.3	0	0	112.9	G243 L247 L248 G249 Q470	G243-E245 PolarHBondContact O-N 2.85Å; G243-E245 VanDerWaalsContact O-N 3.15Å; E245-L247 PolarHBondContact O-N 2.85Å; E245-L248 PolarHBondContact O-N 3.21Å; E245-G249 PolarHBondContact O-N 3.15Å; E245-Q470 VanDerWaalsContact C-NE2 3.33Å; E245-Q470 PolarHBondContact O-NE2 3.28Å
246	S	80.8	Confident	88.9	Confident	12 Å²	12	34.4 Å²	34.4	8%	0.084	24%	0.237	C	C	.	.	H	α-helix	trans	-60.4	-34.9	179	-177.4	0	0	0	0	111.9	G243 G244 T250	G243-S246 WeakPolarHBondContact O-CB 3.47Å; G243-S246 PolarHBondContact O-N 2.99Å; G243-S246 VanDerWaalsContact O-N 3.09Å; G244-S246 VanDerWaalsContact C-N 3.31Å; G244-S246 PolarHBondContact O-N 3.02Å; S246-T250 WeakPolarHBondContact O-CB 3.47Å; S246-T250 PolarHBondContact O-N 3.42Å; S246-T250 PolarHBondContact O-OG1 3.45Å
247	L	89.5	Confident	88.9	Confident	94 Å²	94	34.7 Å²	34.7	49%	0.492	24%	0.239	S	C	.	.	H	α-helix	trans	-68.9	-41.2	177.7	-61.4	175.8	0	0	0	111.9	L239 G244 E245 T250 Q251	L239-L247 HydrophobicContact CD2-CD2 4.43Å; G244-L247 WeakPolarHBondContact O-CB 3.45Å; G244-L247 PolarHBondContact O-N 3.02Å; G244-L247 VanDerWaalsContact O-N 3.15Å; E245-L247 PolarHBondContact O-N 2.85Å; L247-T250 PolarHBondContact O-N 2.59Å; L247-Q251 PolarHBondContact O-N 3.03Å
248	L	94.2	Very high	89	Confident	79 Å²	79	35.6 Å²	35.6	41%	0.414	24%	0.244	S	C	.	.	H	α-helix	trans	-64.3	-47.4	175.7	177.3	60.9	0	0	0	111.1	G244 E245 T250 Q251 L252	G244-L248 PolarHBondContact O-N 2.98Å; E245-L248 PolarHBondContact O-N 3.21Å; L248-T250 PolarHBondContact O-N 2.93Å; L248-Q251 PolarHBondContact O-N 2.81Å; L248-Q251 VanDerWaalsContact O-N 3.12Å; L248-L252 HydrophobicContact CD1-CD1 4.43Å; L248-L252 HydrophobicContact CD1-CG 4.21Å; L248-L252 HydrophobicContact CG-CD1 4.21Å; L248-L252 HydrophobicContact CG-CG 4.42Å; L248-L252 WeakPolarHBondContact O-CG 3.36Å; L248-L252 PolarHBondContact O-N 3.22Å
249	G	95.5	Very high	89.1	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-57.1	-40.2	175.7	0	0	0	0	0	112.2	E245 L252 L253	E245-G249 PolarHBondContact O-N 3.15Å; G249-L252 PolarHBondContact O-N 3.16Å; G249-L253 WeakPolarHBondContact O-CB 3.23Å; G249-L253 PolarHBondContact O-N 3.14Å
250	T	96.3	Very high	89.3	Confident	4 Å²	4	43 Å²	43	3%	0.025	28%	0.283	C	S	.	.	H	α-helix	trans	-65.6	-42.4	175.6	-56.8	0	0	0	0	111.9	L237 S246 L247 L248 L253 V254 I317	L237-T250 HydrophobicContact CD2-CG2 4.43Å; S246-T250 WeakPolarHBondContact O-CB 3.47Å; S246-T250 PolarHBondContact O-N 3.42Å; S246-T250 PolarHBondContact O-OG1 3.45Å; L247-T250 PolarHBondContact O-N 2.59Å; L248-T250 PolarHBondContact O-N 2.93Å; T250-L253 WeakPolarHBondContact O-CB 3.45Å; T250-L253 PolarHBondContact O-N 3.14Å; T250-V254 WeakPolarHBondContact O-CG2 3.38Å; T250-V254 PolarHBondContact O-N 3.38Å; T250-I317 HydrophobicContact CG2-CD1 3.87Å
251	Q	97.4	Very high	89.8	Confident	74 Å²	74	45.1 Å²	45.1	35%	0.346	29%	0.286	S	S	.	.	H	α-helix	trans	-63.7	-44.7	176.3	-173.8	61.8	39.9	0	0	111.3	L247 L248 L253 V254 D255	L247-Q251 PolarHBondContact O-N 3.03Å; L248-Q251 PolarHBondContact O-N 2.81Å; L248-Q251 VanDerWaalsContact O-N 3.12Å; Q251-L253 VanDerWaalsContact C-N 3.31Å; Q251-L253 PolarHBondContact O-N 3.2Å; Q251-V254 PolarHBondContact O-N 3Å; Q251-V254 VanDerWaalsContact O-N 3.15Å; Q251-D255 PolarHBondContact NE2-OD1 3.16Å; Q251-D255 PolarHBondContact NE2-OD2 3.21Å; Q251-D255 WeakPolarHBondContact O-CB 3.13Å; Q251-D255 VanDerWaalsContact O-CG 3.27Å; Q251-D255 PolarHBondContact O-N 3.21Å
252	L	97.9	Very high	90.7	Very high	36 Å²	36	45.2 Å²	45.2	19%	0.188	29%	0.287	C	S	.	.	H	α-helix	trans	-60	-41.2	176.8	-67.2	173.5	0	0	0	111.9	L248 G249 D255 V256 L261 F487	L248-L252 HydrophobicContact CD1-CD1 4.43Å; L248-L252 HydrophobicContact CD1-CG 4.21Å; L248-L252 HydrophobicContact CG-CD1 4.21Å; L248-L252 HydrophobicContact CG-CG 4.42Å; L248-L252 WeakPolarHBondContact O-CG 3.36Å; L248-L252 PolarHBondContact O-N 3.22Å; G249-L252 PolarHBondContact O-N 3.16Å; L252-D255 PolarHBondContact O-N 2.96Å; L252-V256 WeakPolarHBondContact O-CG2 3.49Å; L252-V256 PolarHBondContact O-N 2.84Å; L252-L261 HydrophobicContact CD2-CD2 3.67Å; L252-F487 HydrophobicContact CB-CB 4.25Å; L252-F487 HydrophobicContact CB-CD1 3.72Å; L252-F487 HydrophobicContact CB-CG 4.31Å; L252-F487 HydrophobicContact CD1-CB 4.39Å
253	L	98.3	Very high	92	Very high	10 Å²	10	43.1 Å²	43.1	5%	0.052	26%	0.26	C	S	.	.	H	α-helix	trans	-57.2	-50.1	173.3	170.7	72.6	0	0	0	111.4	L232 V234 G249 T250 Q251 V257 F466 A472 F487	L232-L253 HydrophobicContact CD2-CD1 3.98Å; V234-L253 HydrophobicContact CG1-CD2 4.03Å; V234-L253 HydrophobicContact CG2-CD1 4.47Å; V234-L253 HydrophobicContact CG2-CD2 4.11Å; G249-L253 WeakPolarHBondContact O-CB 3.23Å; G249-L253 PolarHBondContact O-N 3.14Å; T250-L253 WeakPolarHBondContact O-CB 3.45Å; T250-L253 PolarHBondContact O-N 3.14Å; Q251-L253 VanDerWaalsContact C-N 3.31Å; Q251-L253 PolarHBondContact O-N 3.2Å; L253-V257 VanDerWaalsContact O-CG2 3.31Å; L253-V257 WeakPolarHBondContact O-CG2 3.5Å; L253-V257 PolarHBondContact O-N 3.28Å; L253-F466 HydrophobicContact CB-CE2 4.4Å; L253-F466 HydrophobicContact CB-CZ 4.01Å; L253-F466 HydrophobicContact CD1-CE2 4.5Å; L253-F466 HydrophobicContact CD2-CD2 4.39Å; L253-F466 HydrophobicContact CD2-CE2 3.85Å; L253-F466 HydrophobicContact CD2-CZ 3.93Å; L253-F466 HydrophobicContact CG-CE2 4.49Å; L253-F466 HydrophobicContact CG-CZ 4.5Å; L253-A472 HydrophobicContact CD1-CB 4.21Å; L253-F487 HydrophobicContact CB-CD2 4.19Å; L253-F487 HydrophobicContact CB-CE1 4.3Å; L253-F487 HydrophobicContact CB-CE2 3.94Å; L253-F487 HydrophobicContact CB-CZ 3.97Å; L253-F487 HydrophobicContact CD1-CD2 4.41Å; L253-F487 HydrophobicContact CD1-CE2 3.47Å; L253-F487 VanDerWaalsContact CD1-CE2 3.47Å; L253-F487 HydrophobicContact CD1-CZ 3.56Å; L253-F487 HydrophobicContact CG-CE2 4.31Å; L253-F487 HydrophobicContact CG-CZ 4.4Å
254	V	98.4	Very high	93.4	Very high	3 Å²	3	43 Å²	43	2%	0.018	25%	0.245	C	C	.	.	H	α-helix	trans	-63.7	-43.8	179.5	176	0	0	0	0	110.6	T250 Q251 V256 V257 T258 I317 Q320 L321	T250-V254 WeakPolarHBondContact O-CG2 3.38Å; T250-V254 PolarHBondContact O-N 3.38Å; Q251-V254 PolarHBondContact O-N 3Å; Q251-V254 VanDerWaalsContact O-N 3.15Å; V254-V256 PolarHBondContact O-N 3.13Å; V254-V257 PolarHBondContact O-N 2.68Å; V254-T258 HydrophobicContact CG1-CG2 3.99Å; V254-T258 VanDerWaalsContact O-CB 3.32Å; V254-T258 WeakPolarHBondContact O-CB 3.36Å; V254-T258 VanDerWaalsContact O-CG2 3.25Å; V254-T258 WeakPolarHBondContact O-CG2 3.46Å; V254-T258 PolarHBondContact O-N 3.47Å; V254-T258 PolarHBondContact O-OG1 3.15Å; V254-I317 HydrophobicContact CG2-CG2 4.03Å; V254-Q320 HydrophobicContact CG1-CB 3.83Å; V254-Q320 VanDerWaalsContact CG1-OE1 3.28Å; V254-L321 HydrophobicContact CG1-CD2 4.22Å; V254-L321 HydrophobicContact CG1-CG 4.42Å; V254-L321 HydrophobicContact CG2-CD2 4.22Å; V254-L321 HydrophobicContact CG2-CG 4.28Å
255	D	98.4	Very high	94.5	Very high	38 Å²	38	40.6 Å²	40.6	20%	0.203	22%	0.22	C	C	.	.	H	α-helix	trans	-65	-38.5	-178.8	-73	-13	0	0	0	112.5	Q251 L252 T258 G259 Q260 L261	Q251-D255 PolarHBondContact NE2-OD1 3.16Å; Q251-D255 PolarHBondContact NE2-OD2 3.21Å; Q251-D255 WeakPolarHBondContact O-CB 3.13Å; Q251-D255 VanDerWaalsContact O-CG 3.27Å; Q251-D255 PolarHBondContact O-N 3.21Å; L252-D255 PolarHBondContact O-N 2.96Å; D255-T258 WeakPolarHBondContact CA-OG1 3.34Å; D255-T258 PolarHBondContact O-OG1 2.64Å; D255-G259 PolarHBondContact O-N 3.31Å; D255-Q260 HydrophobicContact CB-CB 4.04Å; D255-Q260 PolarHBondContact O-N 2.86Å; D255-L261 HydrophobicContact CB-CB 3.98Å; D255-L261 PolarHBondContact O-N 3.49Å
256	V	97.9	Very high	95.6	Very high	27 Å²	27	39.5 Å²	39.5	16%	0.164	22%	0.215	C	C	.	.	H	α-helix	trans	-65	-47.8	174.1	167.8	0	0	0	0	110.8	L252 V254 T258 G259 L261 A270 F487	L252-V256 WeakPolarHBondContact O-CG2 3.49Å; L252-V256 PolarHBondContact O-N 2.84Å; V254-V256 PolarHBondContact O-N 3.13Å; V256-T258 PolarHBondContact O-N 3.1Å; V256-G259 PolarHBondContact O-N 3.05Å; V256-L261 HydrophobicContact CG2-CB 4.26Å; V256-L261 HydrophobicContact CG2-CD2 4.02Å; V256-L261 HydrophobicContact CG2-CG 4.48Å; V256-A270 VanDerWaalsContact O-CB 3.3Å; V256-A270 WeakPolarHBondContact O-CB 3.37Å; V256-F487 HydrophobicContact CB-CE1 4.23Å; V256-F487 HydrophobicContact CG2-CE1 3.94Å
257	V	97.5	Very high	96.4	Very high	6 Å²	6	41.1 Å²	41.1	4%	0.036	22%	0.221	C	C	.	.	H	α-helix	trans	-66.8	-40	-177.5	175.3	0	0	0	0	111.8	R61 L232 L253 V254 G259 V276 L321 V325	R61-V257 PolarHBondContact NH1-O 2.78Å; R61-V257 PolarHBondContact NH2-O 3.13Å; L232-V257 HydrophobicContact CD2-CG2 3.38Å; L253-V257 VanDerWaalsContact O-CG2 3.31Å; L253-V257 WeakPolarHBondContact O-CG2 3.5Å; L253-V257 PolarHBondContact O-N 3.28Å; V254-V257 PolarHBondContact O-N 2.68Å; V257-G259 VanDerWaalsContact C-N 3.25Å; V257-G259 PolarHBondContact O-N 3.38Å; V257-V276 HydrophobicContact CG1-CG2 3.99Å; V257-L321 HydrophobicContact CB-CD2 4.37Å; V257-L321 HydrophobicContact CG1-CD2 4.17Å; V257-V325 HydrophobicContact CG1-CG1 3.86Å
258	T	97.8	Very high	96.7	Very high	21 Å²	21	37.6 Å²	37.6	13%	0.129	20%	0.204	C	C	.	.	H	α-helix	trans	-78.8	-8.2	180	57.7	0	0	0	0	113.2	V254 D255 V256 Q260	V254-T258 HydrophobicContact CG1-CG2 3.99Å; V254-T258 VanDerWaalsContact O-CB 3.32Å; V254-T258 WeakPolarHBondContact O-CB 3.36Å; V254-T258 VanDerWaalsContact O-CG2 3.25Å; V254-T258 WeakPolarHBondContact O-CG2 3.46Å; V254-T258 PolarHBondContact O-N 3.47Å; V254-T258 PolarHBondContact O-OG1 3.15Å; D255-T258 WeakPolarHBondContact CA-OG1 3.34Å; D255-T258 PolarHBondContact O-OG1 2.64Å; V256-T258 PolarHBondContact O-N 3.1Å; T258-Q260 WeakPolarHBondContact OG1-CG 3.3Å
259	G	96.8	Very high	96.7	Very high	24 Å²	24	34 Å²	34	25%	0.247	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.4	22.3	176.5	0	0	0	0	0	114.3	D255 V256 V257	D255-G259 PolarHBondContact O-N 3.31Å; V256-G259 PolarHBondContact O-N 3.05Å; V257-G259 VanDerWaalsContact C-N 3.25Å; V257-G259 PolarHBondContact O-N 3.38Å
260	Q	96.9	Very high	96.8	Very high	143 Å²	143	34.1 Å²	34.1	67%	0.668	19%	0.187	S	C	*	.			trans	-83.1	-24.3	176.3	-56.6	-56.4	-54	0	0	112.6	D255 T258	D255-Q260 HydrophobicContact CB-CB 4.04Å; D255-Q260 PolarHBondContact O-N 2.86Å; T258-Q260 WeakPolarHBondContact OG1-CG 3.3Å
261	L	94.9	Very high	96.8	Very high	80 Å²	80	34.3 Å²	34.3	42%	0.419	19%	0.188	S	C	.	.	S	Bend	trans	-117.2	147.9	-177	-171.9	64.9	0	0	0	111.9	L252 D255 V256	L252-L261 HydrophobicContact CD2-CD2 3.67Å; D255-L261 HydrophobicContact CB-CB 3.98Å; D255-L261 PolarHBondContact O-N 3.49Å; V256-L261 HydrophobicContact CG2-CB 4.26Å; V256-L261 HydrophobicContact CG2-CD2 4.02Å; V256-L261 HydrophobicContact CG2-CG 4.48Å
262	G	95.2	Very high	96.8	Very high	26 Å²	26	33.3 Å²	33.3	27%	0.268	18%	0.184	S	C	.	.	S	Bend	trans	95.4	165	178.2	0	0	0	0	0	113.9	Q267	G262-Q267 PolarHBondContact O-NE2 2.85Å
263	D	96.5	Very high	96.8	Very high	26 Å²	26	31.8 Å²	31.8	14%	0.139	18%	0.176	C	C	.	.			trans	-76.8	177.4	173.8	-149.9	-48.1	0	0	0	110.7	H46 T47 L48 G265 E266 Q267	H46-D263 VanDerWaalsContact CA-OD2 3.32Å; H46-D263 WeakPolarHBondContact CA-OD2 3.32Å; T47-D263 PolarHBondContact N-OD1 3.35Å; T47-D263 PolarHBondContact N-OD2 2.9Å; T47-D263 PolarHBondContact OG1-OD1 2.92Å; L48-D263 HydrophobicContact CD1-CB 4Å; L48-D263 HydrophobicContact CG-CB 4.25Å; L48-D263 PolarHBondContact N-OD2 3.31Å; L48-D263 VanDerWaalsContact N-OD2 3.16Å; D263-G265 PolarHBondContact O-N 2.64Å; D263-E266 PolarHBondContact O-N 3.46Å; D263-E266 VanDerWaalsContact O-N 3.08Å; D263-Q267 WeakPolarHBondContact O-CG 3.45Å; D263-Q267 PolarHBondContact O-N 3.35Å
264	E	96.4	Very high	96.7	Very high	49 Å²	49	31.3 Å²	31.3	23%	0.229	17%	0.174	C	C	.	.	H	α-helix	trans	-54.6	-30	-176.8	-68.1	-170.4	-177.3	0	0	113.7	R44 T47 A57 F59 C268	R44-E264 IonicContact NH1-OE2 2.66Å; T47-E264 HydrophobicContact CG2-CG 4.38Å; A57-E264 HydrophobicContact CB-CG 4.06Å; A57-E264 WeakPolarHBondContact CB-OE1 3.44Å; F59-E264 HydrophobicContact CE2-CB 4.26Å; F59-E264 HydrophobicContact CZ-CB 4.05Å; F59-E264 HydrophobicContact CZ-CG 4.41Å; E264-C268 WeakPolarHBondContact O-CB 3.16Å; E264-C268 PolarHBondContact O-N 2.82Å
265	G	95.3	Very high	96.7	Very high	6 Å²	6	31.6 Å²	31.6	6%	0.062	17%	0.174	C	C	.	.	H	α-helix	trans	-62.3	-51.6	175.4	0	0	0	0	0	113.3	A41 D263 S269	A41-G265 CarbonylContact O-C 3.58Å; A41-G265 WeakPolarHBondContact O-CA 3.4Å; D263-G265 PolarHBondContact O-N 2.64Å; G265-S269 WeakPolarHBondContact O-CB 3.37Å; G265-S269 PolarHBondContact O-N 2.9Å; G265-S269 VanDerWaalsContact O-N 3.08Å; G265-S269 PolarHBondContact O-OG 2.67Å
266	E	95.5	Very high	96.7	Very high	71 Å²	71	29.9 Å²	29.9	33%	0.332	17%	0.165	S	C	.	.	H	α-helix	trans	-64.9	-46.4	176.9	-68.4	-67.4	166.7	0	0	110.7	F37 A41 D263 C268 S269 A270	F37-E266 VanDerWaalsContact CE1-OE2 3.23Å; F37-E266 WeakPolarHBondContact CE1-OE2 3.36Å; A41-E266 HydrophobicContact CB-CG 4.24Å; A41-E266 WeakPolarHBondContact CB-OE1 3.4Å; D263-E266 PolarHBondContact O-N 3.46Å; D263-E266 VanDerWaalsContact O-N 3.08Å; E266-C268 PolarHBondContact O-N 3.39Å; E266-S269 PolarHBondContact O-N 2.67Å; E266-S269 VanDerWaalsContact O-N 3.15Å; E266-A270 WeakPolarHBondContact O-CB 3.42Å; E266-A270 PolarHBondContact O-N 3.11Å
267	Q	96.9	Very high	96.8	Very high	47 Å²	47	28.6 Å²	28.6	22%	0.22	16%	0.157	C	C	.	.	H	α-helix	trans	-62.9	-41.3	-179.9	-65	174.2	5.9	0	0	112.2	F59 G262 D263 S269 A271	F59-Q267 HydrophobicContact CD2-CB 3.83Å; F59-Q267 HydrophobicContact CE2-CB 3.89Å; G262-Q267 PolarHBondContact O-NE2 2.85Å; D263-Q267 WeakPolarHBondContact O-CG 3.45Å; D263-Q267 PolarHBondContact O-N 3.35Å; Q267-S269 VanDerWaalsContact C-N 3.33Å; Q267-A271 WeakPolarHBondContact O-CB 3.42Å; Q267-A271 PolarHBondContact O-N 2.85Å
268	C	96.1	Very high	96.9	Very high	20 Å²	20	28.4 Å²	28.4	14%	0.135	16%	0.156	C	C	.	.	H	α-helix	trans	-63.9	-39.6	175.1	-178.6	0	0	0	0	111.5	R44 F59 E264 E266 A271 H272	R44-C268 PolarHBondContact NH2-SG 2.9Å; F59-C268 HydrophobicContact CD1-CB 4.04Å; F59-C268 HydrophobicContact CD2-CB 4.45Å; F59-C268 HydrophobicContact CE1-CB 3.85Å; F59-C268 HydrophobicContact CE2-CB 4.28Å; F59-C268 HydrophobicContact CG-CB 4.35Å; F59-C268 HydrophobicContact CZ-CB 3.98Å; E264-C268 WeakPolarHBondContact O-CB 3.16Å; E264-C268 PolarHBondContact O-N 2.82Å; E266-C268 PolarHBondContact O-N 3.39Å; C268-A271 WeakPolarHBondContact O-CB 3.1Å; C268-A271 PolarHBondContact O-N 3.4Å; C268-H272 PolarHBondContact O-ND1 2.99Å
269	S	95.1	Very high	96.9	Very high	4 Å²	4	27.4 Å²	27.4	3%	0.028	15%	0.15	C	C	.	.	H	α-helix	trans	-72	-42.9	178.8	-56.9	0	0	0	0	111.5	A41 G265 E266 Q267 A271 H272	A41-S269 WeakPolarHBondContact CA-OG 3.39Å; A41-S269 PolarHBondContact N-OG 3.05Å; G265-S269 WeakPolarHBondContact O-CB 3.37Å; G265-S269 PolarHBondContact O-N 2.9Å; G265-S269 VanDerWaalsContact O-N 3.08Å; G265-S269 PolarHBondContact O-OG 2.67Å; E266-S269 PolarHBondContact O-N 2.67Å; E266-S269 VanDerWaalsContact O-N 3.15Å; Q267-S269 VanDerWaalsContact C-N 3.33Å; S269-A271 VanDerWaalsContact C-N 3.26Å; S269-A271 PolarHBondContact O-N 3Å; S269-H272 WeakPolarHBondContact O-CA 3.39Å; S269-H272 WeakPolarHBondContact O-CB 3.45Å; S269-H272 PolarHBondContact O-N 3.27Å
270	A	96.8	Very high	96.9	Very high	2 Å²	2	26.3 Å²	26.3	2%	0.017	14%	0.138	C	C	.	.	H	α-helix	trans	-58.8	-38.4	173.3	0	0	0	0	0	111.3	R61 V256 E266 H272 V273	R61-A270 VanDerWaalsContact NH1-C 3.32Å; R61-A270 PolarHBondContact NH1-O 2.85Å; V256-A270 VanDerWaalsContact O-CB 3.3Å; V256-A270 WeakPolarHBondContact O-CB 3.37Å; E266-A270 WeakPolarHBondContact O-CB 3.42Å; E266-A270 PolarHBondContact O-N 3.11Å; A270-H272 PolarHBondContact O-N 3.28Å; A270-V273 VanDerWaalsContact O-CB 3.27Å; A270-V273 WeakPolarHBondContact O-CB 3.43Å; A270-V273 WeakPolarHBondContact O-CG2 3.48Å; A270-V273 PolarHBondContact O-N 3.07Å
271	A	97.3	Very high	96.9	Very high	7 Å²	7	20.6 Å²	20.6	6%	0.058	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-18.1	174.1	0	0	0	0	0	113.8	F59 R61 V62 Q267 C268 S269	F59-A271 HydrophobicContact CB-CB 3.82Å; R61-A271 WeakPolarHBondContact CD-O 3.43Å; V62-A271 WeakPolarHBondContact CG1-O 3.35Å; V62-A271 WeakPolarHBondContact CG2-O 3.38Å; V62-A271 PolarHBondContact N-O 3.47Å; Q267-A271 WeakPolarHBondContact O-CB 3.42Å; Q267-A271 PolarHBondContact O-N 2.85Å; C268-A271 WeakPolarHBondContact O-CB 3.1Å; C268-A271 PolarHBondContact O-N 3.4Å; S269-A271 VanDerWaalsContact C-N 3.26Å; S269-A271 PolarHBondContact O-N 3Å
272	H	96.5	Very high	97	Very high	54 Å²	54	16.8 Å²	16.8	25%	0.25	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-1.1	173.4	-68.5	73.8	0	0	0	114.5	V62 F230 C268 S269 A270 S274	V62-H272 HydrophobicContact CG1-CB 4.16Å; F230-H272 HydrophobicContact CD2-CB 3.97Å; F230-H272 HydrophobicContact CE2-CB 4.22Å; F230-H272 PolarHBondContact N-O 3.31Å; C268-H272 PolarHBondContact O-ND1 2.99Å; S269-H272 WeakPolarHBondContact O-CA 3.39Å; S269-H272 WeakPolarHBondContact O-CB 3.45Å; S269-H272 PolarHBondContact O-N 3.27Å; A270-H272 PolarHBondContact O-N 3.28Å; H272-S274 PolarHBondContact O-N 3.48Å
273	V	97.5	Very high	97	Very high	4 Å²	4	15.6 Å²	15.6	2%	0.024	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	109.6	166.5	-179.5	0	0	0	0	108.5	R61 F230 L232 A270 V276 L474	R61-V273 WeakPolarHBondContact CD-O 3.34Å; F230-V273 HydrophobicContact CB-CG2 4.16Å; F230-V273 CarbonylContact O-C 3.42Å; F230-V273 WeakPolarHBondContact O-CA 3.43Å; L232-V273 HydrophobicContact CB-CG1 4.22Å; A270-V273 VanDerWaalsContact O-CB 3.27Å; A270-V273 WeakPolarHBondContact O-CB 3.43Å; A270-V273 WeakPolarHBondContact O-CG2 3.48Å; A270-V273 PolarHBondContact O-N 3.07Å; V273-V276 HydrophobicContact CG1-CG2 4.47Å; V273-L474 HydrophobicContact CG2-CD2 4.24Å
274	S	97.3	Very high	96.6	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	-28.7	-178.1	176	0	0	0	0	112.7	V64 F230 H272	V64-S274 WeakPolarHBondContact CG2-O 3.45Å; F230-S274 PolarHBondContact O-N 3.11Å; H272-S274 PolarHBondContact O-N 3.48Å
275	R	98.4	Very high	96.1	Very high	8 Å²	8	16.3 Å²	16.3	3%	0.03	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	150	-173.6	-157.2	179.2	-47.1	-87.7	-11.3	111.9	Y67 V231 L232 P326 D328	Y67-R275 VanDerWaalsContact CD2-NH2 3.26Å; Y67-R275 VanDerWaalsContact CG-NH1 3.35Å; V231-R275 WeakPolarHBondContact CA-O 3.25Å; V231-R275 HydrophobicContact CG2-CB 4.46Å; L232-R275 PolarHBondContact N-O 2.86Å; R275-P326 HydrophobicContact CG-CB 4.36Å; R275-P326 WeakPolarHBondContact CG-O 3.24Å; R275-D328 WeakPolarHBondContact CD-OD2 3.46Å
276	V	98.9	Very high	95.5	Very high	2 Å²	2	19.2 Å²	19.2	1%	0.012	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	132.9	169.6	-177.7	0	0	0	0	109	L232 V257 V273 L278 V325 P326 V327 D328	L232-V276 HydrophobicContact CB-CG2 4.26Å; L232-V276 HydrophobicContact CD2-CG1 4.23Å; L232-V276 HydrophobicContact CD2-CG2 4.15Å; L232-V276 CarbonylContact O-C 3.58Å; L232-V276 WeakPolarHBondContact O-CA 3.35Å; V257-V276 HydrophobicContact CG1-CG2 3.99Å; V273-V276 HydrophobicContact CG1-CG2 4.47Å; V276-L278 HydrophobicContact CG1-CD2 3.91Å; V276-L278 HydrophobicContact CG1-CG 4.37Å; V276-V325 HydrophobicContact CG2-CG1 3.6Å; V276-V325 HydrophobicContact CG2-CG2 4.25Å; V276-P326 PolarHBondContact N-O 3.45Å; V276-V327 WeakPolarHBondContact O-CA 3.4Å; V276-D328 PolarHBondContact O-N 3.16Å
277	I	98.9	Very high	94.7	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	120.6	172.3	-54.8	178.4	0	0	0	108.1	V231 L232 L233 V234 D328 M330 Y367 I371 F438	V231-I277 HydrophobicContact CG1-CD1 3.96Å; V231-I277 HydrophobicContact CG1-CG1 4.14Å; L232-I277 PolarHBondContact O-N 3.24Å; L233-I277 HydrophobicContact CD2-CB 3.81Å; L233-I277 HydrophobicContact CD2-CD1 3.8Å; L233-I277 HydrophobicContact CD2-CG1 4.14Å; L233-I277 HydrophobicContact CD2-CG2 4.44Å; V234-I277 PolarHBondContact N-O 3.38Å; I277-D328 WeakPolarHBondContact CA-O 3.29Å; I277-D328 HydrophobicContact CG1-CB 4.35Å; I277-M330 HydrophobicContact CG2-SD 3.91Å; I277-Y367 HydrophobicContact CD1-CE1 4.12Å; I277-Y367 HydrophobicContact CG2-CD1 4.37Å; I277-Y367 HydrophobicContact CG2-CE1 4.45Å; I277-I371 HydrophobicContact CD1-CD1 4.14Å; I277-F438 HydrophobicContact CG2-CZ 4.21Å
278	L	98.9	Very high	93.6	Very high	3 Å²	3	18 Å²	18	2%	0.016	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	104.3	173.6	-55.7	-178.3	0	0	0	109	V234 L237 V276 G280 L282 L318 V327 D328 V329 M330	V234-L278 HydrophobicContact CB-CD2 3.77Å; V234-L278 HydrophobicContact CG1-CD2 4.46Å; V234-L278 HydrophobicContact CG2-CD2 4.11Å; V234-L278 CarbonylContact O-C 3.49Å; V234-L278 WeakPolarHBondContact O-CA 3.39Å; L237-L278 HydrophobicContact CD1-CD1 4.46Å; V276-L278 HydrophobicContact CG1-CD2 3.91Å; V276-L278 HydrophobicContact CG1-CG 4.37Å; L278-G280 PolarHBondContact O-N 3.01Å; L278-L282 HydrophobicContact CB-CD2 3.79Å; L278-L282 HydrophobicContact CD1-CD2 4.38Å; L278-L318 HydrophobicContact CD1-CD2 3.67Å; L278-V327 HydrophobicContact CD1-CG1 4.1Å; L278-V327 HydrophobicContact CG-CG1 4.2Å; L278-D328 PolarHBondContact N-O 3.31Å; L278-V329 HydrophobicContact CD1-CG2 4.4Å; L278-M330 WeakPolarHBondContact O-CB 3.31Å; L278-M330 PolarHBondContact O-N 3.07Å
279	A	98.7	Very high	91.8	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	62.1	-169.7	0	0	0	0	0	113.4	V234 S235 M330 F438 N441	V234-A279 PolarHBondContact O-N 2.78Å; S235-A279 WeakPolarHBondContact CB-O 3.34Å; A279-M330 HydrophobicContact CB-SD 4.03Å; A279-F438 HydrophobicContact CB-CE2 3.89Å; A279-N441 PolarHBondContact O-ND2 3.03Å; A279-N441 VanDerWaalsContact O-ND2 3.11Å
280	G	97.9	Very high	89.7	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.14	C	C	.	.	S	Bend	trans	69.8	172.3	170.5	0	0	0	0	0	116.4	G236 L278 L282 M330	G236-G280 PolarHBondContact N-O 3.03Å; L278-G280 PolarHBondContact O-N 3.01Å; G280-L282 VanDerWaalsContact C-N 3.31Å; G280-M330 VanDerWaalsContact CA-O 3.22Å; G280-M330 WeakPolarHBondContact CA-O 3.28Å; G280-M330 PolarHBondContact N-O 2.91Å; G280-M330 VanDerWaalsContact N-O 3.16Å
281	N	96.7	Very high	87.3	Confident	23 Å²	23	31.4 Å²	31.4	12%	0.123	16%	0.159	C	C	.	.			trans	56.6	46.1	-172.9	-65.3	-7.4	0	0	0	111.4	G236 L237 G238 L283 E333 D335 N441	G236-N281 CarbonylContact C-O 3.32Å; G236-N281 VanDerWaalsContact CA-O 3.25Å; G236-N281 WeakPolarHBondContact CA-O 3.25Å; L237-N281 PolarHBondContact N-O 3.21Å; G238-N281 PolarHBondContact N-O 3.29Å; G238-N281 VanDerWaalsContact N-O 3.16Å; N281-L283 VanDerWaalsContact C-N 3.3Å; N281-E333 PolarHBondContact OD1-N 3.07Å; N281-D335 PolarHBondContact N-OD2 2.94Å; N281-N441 WeakPolarHBondContact CB-OD1 3.39Å; N281-N441 VanDerWaalsContact ND2-CG 3.32Å
282	L	96.8	Very high	85	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.179	C	C	.	.			trans	-71.4	-35.6	178	-50.6	172.7	0	0	0	110	L237 G238 L239 L278 G280 L314 V329 D335 L346	L237-L282 HydrophobicContact CD1-CD2 4.12Å; L237-L282 HydrophobicContact CG-CD2 4.35Å; G238-L282 PolarHBondContact N-O 3.18Å; L239-L282 WeakPolarHBondContact CB-O 3.02Å; L239-L282 WeakPolarHBondContact CG-O 3.42Å; L239-L282 PolarHBondContact N-O 2.92Å; L278-L282 HydrophobicContact CB-CD2 3.79Å; L278-L282 HydrophobicContact CD1-CD2 4.38Å; G280-L282 VanDerWaalsContact C-N 3.31Å; L282-L314 HydrophobicContact CB-CD1 4.1Å; L282-L314 HydrophobicContact CB-CD2 3.71Å; L282-L314 HydrophobicContact CD1-CD1 4.36Å; L282-L314 HydrophobicContact CD1-CD2 3.93Å; L282-L314 HydrophobicContact CG-CD2 4.47Å; L282-V329 HydrophobicContact CD1-CG1 3.27Å; L282-D335 PolarHBondContact N-OD1 3.03Å; L282-D335 VanDerWaalsContact N-OD1 3.15Å; L282-D335 PolarHBondContact N-OD2 3.21Å; L282-L346 HydrophobicContact CD1-CD1 4.21Å
283	L	93.9	Very high	82.6	Confident	1 Å²	1	38.5 Å²	38.5	1%	0.005	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-98.4	144	170	-50.4	-176.7	0	0	0	110.3	L239 N281 T287 A310 V311 L314 D335 P336	L239-L283 HydrophobicContact CB-CD2 4.26Å; L239-L283 WeakPolarHBondContact O-CA 3.31Å; N281-L283 VanDerWaalsContact C-N 3.3Å; L283-T287 HydrophobicContact CB-CG2 4.36Å; L283-A310 HydrophobicContact CD2-CB 3.97Å; L283-V311 HydrophobicContact CD1-CG2 3.71Å; L283-V311 HydrophobicContact CD2-CG2 4.33Å; L283-L314 HydrophobicContact CD2-CD2 4.05Å; L283-D335 PolarHBondContact N-OD1 3.4Å; L283-P336 HydrophobicContact CD1-CG 4.03Å
284	S	89.8	Confident	80	Confident	24 Å²	24	45.3 Å²	45.3	17%	0.168	24%	0.238	C	C	.	.			trans	-72.9	152.7	175.9	161.5	0	0	0	0	111.9	G238 L239 S286 T287	G238-S284 WeakPolarHBondContact O-CB 3.2Å; L239-S284 PolarHBondContact O-N 3.22Å; S284-S286 WeakPolarHBondContact CB-OG 3.43Å; S284-S286 PolarHBondContact O-N 2.73Å; S284-S286 VanDerWaalsContact O-N 3.1Å; S284-S286 PolarHBondContact OG-N 3.35Å; S284-S286 PolarHBondContact OG-OG 2.85Å; S284-T287 WeakPolarHBondContact O-CB 3.47Å; S284-T287 PolarHBondContact O-N 3.49Å; S284-T287 PolarHBondContact O-OG1 2.79Å
285	H	84.5	Confident	77.4	Confident	67 Å²	67	50.4 Å²	50.4	31%	0.31	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-51.8	-29.7	167.7	173.4	-85.8	0	0	0	113	T287 Q288 R290 F334	H285-T287 PolarHBondContact O-N 3.38Å; H285-Q288 VanDerWaalsContact O-CB 3.25Å; H285-Q288 WeakPolarHBondContact O-CB 3.23Å; H285-Q288 PolarHBondContact O-N 2.61Å; H285-R290 PolarHBondContact NE2-NE 2.86Å; H285-R290 PolarHBondContact NE2-NH2 2.96Å; H285-F334 HydrophobicContact CB-CD1 3.9Å; H285-F334 HydrophobicContact CB-CD2 3.86Å; H285-F334 HydrophobicContact CB-CE1 3.9Å; H285-F334 HydrophobicContact CB-CE2 3.84Å; H285-F334 HydrophobicContact CB-CG 3.89Å; H285-F334 HydrophobicContact CB-CZ 3.86Å; H285-F334 AromaticContact CD2-CD1 3.81Å; H285-F334 AromaticContact CD2-CE1 3.45Å; H285-F334 VanDerWaalsContact CD2-CE1 3.45Å; H285-F334 WeakPolarHBondContact CD2-CE1 3.47Å
286	S	83.3	Confident	75	Confident	66 Å²	66	52 Å²	52	46%	0.462	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-62	-21	175.7	52.5	0	0	0	0	113.8	G240 G241 S284 Q288	G240-S286 VanDerWaalsContact C-OG 3.3Å; G240-S286 PolarHBondContact O-OG 3.32Å; G241-S286 VanDerWaalsContact CA-OG 3.28Å; G241-S286 WeakPolarHBondContact CA-OG 3.41Å; G241-S286 PolarHBondContact N-OG 2.76Å; S284-S286 WeakPolarHBondContact CB-OG 3.43Å; S284-S286 PolarHBondContact O-N 2.73Å; S284-S286 VanDerWaalsContact O-N 3.1Å; S284-S286 PolarHBondContact OG-N 3.35Å; S284-S286 PolarHBondContact OG-OG 2.85Å; S286-Q288 VanDerWaalsContact C-N 3.25Å
287	T	79.4	Confident	72.6	Confident	13 Å²	13	61.2 Å²	61.2	8%	0.08	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-76.1	-16.2	174.3	69.9	0	0	0	0	112.5	L239 L283 S284 H285 S289 A310	L239-T287 VanDerWaalsContact O-CG2 3.32Å; L239-T287 WeakPolarHBondContact O-CG2 3.1Å; L283-T287 HydrophobicContact CB-CG2 4.36Å; S284-T287 WeakPolarHBondContact O-CB 3.47Å; S284-T287 PolarHBondContact O-N 3.49Å; S284-T287 PolarHBondContact O-OG1 2.79Å; H285-T287 PolarHBondContact O-N 3.38Å; T287-S289 PolarHBondContact O-N 2.85Å; T287-A310 HydrophobicContact CG2-CB 3.94Å
288	Q	72.4	Confident	70.4	Confident	81 Å²	81	70.1 Å²	70.1	38%	0.379	35%	0.35	S	S	.	.	S	Bend	trans	-80.1	111	176.2	-60.1	-66.3	-33.1	0	0	109.5	H285 S286 R290 F334	H285-Q288 VanDerWaalsContact O-CB 3.25Å; H285-Q288 WeakPolarHBondContact O-CB 3.23Å; H285-Q288 PolarHBondContact O-N 2.61Å; S286-Q288 VanDerWaalsContact C-N 3.25Å; Q288-R290 PolarHBondContact O-N 3.39Å; Q288-F334 HydrophobicContact CG-CB 4.19Å; Q288-F334 HydrophobicContact CG-CD1 4.34Å; Q288-F334 PolarHBondContact NE2-O 2.72Å
289	S	59.2	Low	67.9	Low	45 Å²	45	76 Å²	76	32%	0.315	38%	0.381	S	S	.	.			trans	-70.8	89.5	179.6	-177.1	0	0	0	0	111.4	T287 D291 S292	T287-S289 PolarHBondContact O-N 2.85Å; S289-D291 PolarHBondContact O-N 2.78Å; S289-S292 PolarHBondContact O-N 3.04Å; S289-S292 PolarHBondContact O-OG 3.49Å
290	R	51.7	Low	65.6	Low	183 Å²	183	77.7 Å²	77.7	69%	0.691	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-61.8	-23.7	171.5	-81.5	-174.9	168.4	-176.1	-4.1	113.4	H285 Q288 S292	H285-R290 PolarHBondContact NE2-NE 2.86Å; H285-R290 PolarHBondContact NE2-NH2 2.96Å; Q288-R290 PolarHBondContact O-N 3.39Å; R290-S292 VanDerWaalsContact C-N 3.31Å; R290-S292 PolarHBondContact O-N 2.96Å
291	D	45.9	Very low	63.2	Low	78 Å²	78	87.1 Å²	87.1	42%	0.417	43%	0.432	S	S	.	.	G	3₁₀ helix	trans	-74.3	-17.3	179.8	-95.3	15.1	0	0	0	114.1	S289 I293 K295	S289-D291 PolarHBondContact O-N 2.78Å; D291-I293 VanDerWaalsContact C-N 3.28Å; D291-I293 PolarHBondContact O-N 2.84Å; D291-K295 PolarHBondContact O-N 3.16Å; D291-K295 IonicContact OD1-NZ 3.82Å; D291-K295 IonicContact OD2-NZ 3.96Å; D291-K295 PolarHBondContact OD2-NZ 2.74Å
292	S	47.3	Very low	60.8	Low	69 Å²	69	95.6 Å²	95.6	48%	0.483	47%	0.468	S	S	.	.	G	3₁₀ helix	trans	-74.3	-16.1	-177.8	63.5	0	0	0	0	114.4	S289 R290	S289-S292 PolarHBondContact O-N 3.04Å; S289-S292 PolarHBondContact O-OG 3.49Å; R290-S292 VanDerWaalsContact C-N 3.31Å; R290-S292 PolarHBondContact O-N 2.96Å
293	I	47	Very low	58.5	Low	142 Å²	142	99 Å²	99	73%	0.728	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-30.4	179.6	-60.8	170.4	0	0	0	111	D291	D291-I293 VanDerWaalsContact C-N 3.28Å; D291-I293 PolarHBondContact O-N 2.84Å
294	N	43.9	Very low	56.5	Low	146 Å²	146	106.6 Å²	106.6	78%	0.781	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.7	-3.6	-172.3	-71.9	-26.6	0	0	0	115.2
295	K	41.4	Very low	55.1	Low	108 Å²	108	107.6 Å²	107.6	47%	0.47	53%	0.534	S	S	.	.	S	Bend	trans	-123.2	143.3	178.6	-71.4	175.6	-175	161.5	0	112.1	D291	D291-K295 PolarHBondContact O-N 3.16Å; D291-K295 IonicContact OD1-NZ 3.82Å; D291-K295 IonicContact OD2-NZ 3.96Å; D291-K295 PolarHBondContact OD2-NZ 2.74Å
296	A	48.7	Very low	54.2	Low	40 Å²	40	107 Å²	107	33%	0.331	54%	0.54	S	S	.	.			trans	-62.1	136.7	178.2	0	0	0	0	0	111.9	Y298 L299	A296-Y298 HydrophobicContact CB-CD1 4.03Å; A296-Y298 HydrophobicContact CB-CE1 3.36Å; A296-Y298 HydrophobicContact CB-CE2 3.9Å; A296-Y298 WeakPolarHBondContact CB-OH 3.25Å; A296-Y298 PolarHBondContact O-N 2.81Å; A296-L299 PolarHBondContact O-N 2.93Å
297	K	47.2	Very low	53.9	Low	196 Å²	196	105.8 Å²	105.8	85%	0.852	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-15.7	-169.8	-70.1	179.8	177	178.1	0	116.4	T300	K297-T300 PolarHBondContact O-OG1 2.94Å
298	Y	53.6	Low	54.2	Low	187 Å²	187	109.1 Å²	109.1	73%	0.733	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.2	-14.2	178.7	45.1	-95.9	0	0	0	114.1	A296	A296-Y298 HydrophobicContact CB-CD1 4.03Å; A296-Y298 HydrophobicContact CB-CE1 3.36Å; A296-Y298 HydrophobicContact CB-CE2 3.9Å; A296-Y298 WeakPolarHBondContact CB-OH 3.25Å; A296-Y298 PolarHBondContact O-N 2.81Å
299	L	45.8	Very low	55	Low	128 Å²	128	110 Å²	110	67%	0.67	56%	0.556	S	S	*	*	S	Bend	trans	-92.4	-9.5	179.3	-78.6	158.1	0	0	0	114	A296	A296-L299 PolarHBondContact O-N 2.93Å
300	T	50.6	Low	56.5	Low	35 Å²	35	107.8 Å²	107.8	22%	0.215	54%	0.541	C	S	.	.			trans	-94.5	12.7	-172.9	52.9	0	0	0	0	114.4	K297 K302 T303	K297-T300 PolarHBondContact O-OG1 2.94Å; T300-K302 PolarHBondContact O-N 3.46Å; T300-T303 PolarHBondContact O-N 3.03Å
301	K	48.1	Very low	58.6	Low	198 Å²	198	100.1 Å²	100.1	86%	0.861	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-10.2	-171.3	-142.5	175.7	-173.8	179.2	0	115.3
302	K	46.1	Very low	60.9	Low	201 Å²	201	102.7 Å²	102.7	87%	0.874	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.5	-7	177.9	-70.6	-174.2	176.8	-177.3	0	114.7	T300	T300-K302 PolarHBondContact O-N 3.46Å
303	T	49.1	Very low	63.2	Low	72 Å²	72	102.5 Å²	102.5	44%	0.442	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-9	-169.8	-43.2	0	0	0	0	113.2	T300 A305	T300-T303 PolarHBondContact O-N 3.03Å; T303-A305 VanDerWaalsContact C-N 3.32Å; T303-A305 PolarHBondContact O-N 3.48Å
304	Q	52.4	Low	65.6	Low	159 Å²	159	95.8 Å²	95.8	74%	0.743	48%	0.48	S	S	*	.	S	Bend	trans	-75.7	-14.9	-176.5	-161.7	175.4	11.8	0	0	114.1	V308	Q304-V308 WeakPolarHBondContact O-CG2 3.48Å
305	A	59.2	Low	68.2	Low	45 Å²	45	89.1 Å²	89.1	37%	0.372	44%	0.444	S	S	.	.	H	α-helix	trans	-67.2	-55.2	-173.2	0	0	0	0	0	112.7	T303 S307 V308 E309	T303-A305 VanDerWaalsContact C-N 3.32Å; T303-A305 PolarHBondContact O-N 3.48Å; A305-S307 VanDerWaalsContact C-N 3.25Å; A305-S307 PolarHBondContact O-N 2.88Å; A305-V308 PolarHBondContact O-N 3.22Å; A305-E309 VanDerWaalsContact O-CG 3.3Å; A305-E309 WeakPolarHBondContact O-CG 3.45Å; A305-E309 PolarHBondContact O-N 2.89Å
306	A	65.9	Low	70.9	Confident	55 Å²	55	87.6 Å²	87.6	46%	0.455	44%	0.439	S	S	.	.	H	α-helix	trans	-55.2	-34.1	-168.7	0	0	0	0	0	115.4	A310	A306-A310 WeakPolarHBondContact O-CB 3.28Å; A306-A310 PolarHBondContact O-N 3.48Å
307	S	77.3	Confident	73.3	Confident	40 Å²	40	86.6 Å²	86.6	28%	0.28	43%	0.428	S	S	.	.	H	α-helix	trans	-73.5	-36.6	176.6	178	0	0	0	0	112.8	A305 A310 V311	A305-S307 VanDerWaalsContact C-N 3.25Å; A305-S307 PolarHBondContact O-N 2.88Å; S307-A310 PolarHBondContact O-N 3.3Å; S307-V311 WeakPolarHBondContact O-CG2 3.38Å; S307-V311 PolarHBondContact O-N 2.85Å
308	V	85.6	Confident	75.7	Confident	84 Å²	84	77.3 Å²	77.3	51%	0.509	39%	0.387	S	S	.	.	H	α-helix	trans	-69.1	-45.3	-179.4	173.8	0	0	0	0	110.4	Q304 A305 A310 V311 K312	Q304-V308 WeakPolarHBondContact O-CG2 3.48Å; A305-V308 PolarHBondContact O-N 3.22Å; V308-A310 VanDerWaalsContact C-N 3.31Å; V308-A310 PolarHBondContact O-N 2.58Å; V308-V311 PolarHBondContact O-N 3.35Å; V308-K312 PolarHBondContact O-N 2.86Å
309	E	88	Confident	77.9	Confident	98 Å²	98	70.8 Å²	70.8	46%	0.458	37%	0.365	S	S	.	.	H	α-helix	trans	-68.3	-33.7	179	1.6	-67	-122.6	0	0	111.2	A305 K312 M313	A305-E309 VanDerWaalsContact O-CG 3.3Å; A305-E309 WeakPolarHBondContact O-CG 3.45Å; A305-E309 PolarHBondContact O-N 2.89Å; E309-K312 PolarHBondContact O-N 2.86Å; E309-M313 WeakPolarHBondContact O-CG 3.43Å; E309-M313 PolarHBondContact O-N 3.23Å
310	A	91.8	Very high	80.4	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-63.6	-42.8	173	0	0	0	0	0	112.5	L239 L283 T287 A306 S307 V308 K312 M313 L314	L239-A310 HydrophobicContact CB-CB 4.29Å; L283-A310 HydrophobicContact CD2-CB 3.97Å; T287-A310 HydrophobicContact CG2-CB 3.94Å; A306-A310 WeakPolarHBondContact O-CB 3.28Å; A306-A310 PolarHBondContact O-N 3.48Å; S307-A310 PolarHBondContact O-N 3.3Å; V308-A310 VanDerWaalsContact C-N 3.31Å; V308-A310 PolarHBondContact O-N 2.58Å; A310-K312 VanDerWaalsContact C-N 3.34Å; A310-M313 HydrophobicContact CB-CE 4.44Å; A310-M313 PolarHBondContact O-N 2.88Å; A310-L314 WeakPolarHBondContact O-CB 3.17Å; A310-L314 PolarHBondContact O-N 3.11Å
311	V	94.8	Very high	82.7	Confident	22 Å²	22	67.3 Å²	67.3	13%	0.133	34%	0.343	C	S	.	.	H	α-helix	trans	-65.1	-38.5	174.2	171.7	0	0	0	0	111.3	L283 S307 V308 L314 D315 M350	L283-V311 HydrophobicContact CD1-CG2 3.71Å; L283-V311 HydrophobicContact CD2-CG2 4.33Å; S307-V311 WeakPolarHBondContact O-CG2 3.38Å; S307-V311 PolarHBondContact O-N 2.85Å; V308-V311 PolarHBondContact O-N 3.35Å; V311-L314 WeakPolarHBondContact O-CB 3.32Å; V311-L314 PolarHBondContact O-N 2.76Å; V311-D315 PolarHBondContact O-N 2.9Å; V311-M350 HydrophobicContact CG1-CB 4.04Å; V311-M350 HydrophobicContact CG1-CE 4.11Å; V311-M350 WeakPolarHBondContact CG1-O 3.49Å; V311-M350 HydrophobicContact CG2-CE 3.87Å
312	K	95.4	Very high	85.1	Confident	131 Å²	131	57.9 Å²	57.9	57%	0.57	30%	0.302	S	S	*	.	H	α-helix	trans	-61.8	-47.5	175.2	-173.1	-168.9	174.8	-147.7	0	111.6	V308 E309 A310 L314 D315 E316	V308-K312 PolarHBondContact O-N 2.86Å; E309-K312 PolarHBondContact O-N 2.86Å; A310-K312 VanDerWaalsContact C-N 3.34Å; K312-L314 VanDerWaalsContact C-N 3.28Å; K312-L314 PolarHBondContact O-N 3.28Å; K312-D315 PolarHBondContact O-N 3.25Å; K312-E316 WeakPolarHBondContact CE-OE1 3.34Å; K312-E316 IonicContact NZ-OE1 2.77Å; K312-E316 PolarHBondContact NZ-OE1 3.32Å; K312-E316 WeakPolarHBondContact O-CG 3.5Å; K312-E316 PolarHBondContact O-N 3.03Å
313	M	95.3	Very high	87.6	Confident	66 Å²	66	51 Å²	51	33%	0.325	28%	0.283	S	S	.	.	H	α-helix	trans	-60.7	-39.9	175.4	-71.5	-176	-66.6	0	0	111.5	E309 A310 E316 I317	E309-M313 WeakPolarHBondContact O-CG 3.43Å; E309-M313 PolarHBondContact O-N 3.23Å; A310-M313 HydrophobicContact CB-CE 4.44Å; A310-M313 PolarHBondContact O-N 2.88Å; M313-E316 PolarHBondContact O-N 3.24Å; M313-I317 WeakPolarHBondContact O-CG1 3.44Å; M313-I317 PolarHBondContact O-N 3.36Å
314	L	97.7	Very high	89.9	Confident	1 Å²	1	49.4 Å²	49.4	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-61.8	-43.9	175	-176.7	56.3	0	0	0	111.7	L237 L239 L282 L283 A310 V311 K312 E316 I317 L318 F351	L237-L314 HydrophobicContact CD1-CD1 4.22Å; L239-L314 HydrophobicContact CD1-CB 3.65Å; L239-L314 HydrophobicContact CD1-CD1 3.91Å; L239-L314 HydrophobicContact CD1-CG 4.31Å; L282-L314 HydrophobicContact CB-CD1 4.1Å; L282-L314 HydrophobicContact CB-CD2 3.71Å; L282-L314 HydrophobicContact CD1-CD1 4.36Å; L282-L314 HydrophobicContact CD1-CD2 3.93Å; L282-L314 HydrophobicContact CG-CD2 4.47Å; L283-L314 HydrophobicContact CD2-CD2 4.05Å; A310-L314 WeakPolarHBondContact O-CB 3.17Å; A310-L314 PolarHBondContact O-N 3.11Å; V311-L314 WeakPolarHBondContact O-CB 3.32Å; V311-L314 PolarHBondContact O-N 2.76Å; K312-L314 VanDerWaalsContact C-N 3.28Å; K312-L314 PolarHBondContact O-N 3.28Å; L314-E316 VanDerWaalsContact C-N 3.32Å; L314-E316 PolarHBondContact O-N 2.92Å; L314-I317 PolarHBondContact O-N 2.83Å; L314-L318 HydrophobicContact CD1-CD1 4.27Å; L314-L318 HydrophobicContact CD1-CG 4.14Å; L314-L318 HydrophobicContact CG-CD1 4.06Å; L314-L318 HydrophobicContact CG-CG 4.36Å; L314-L318 WeakPolarHBondContact O-CB 3.44Å; L314-L318 VanDerWaalsContact O-CG 3.23Å; L314-L318 WeakPolarHBondContact O-CG 3.47Å; L314-L318 PolarHBondContact O-N 2.73Å; L314-F351 HydrophobicContact CB-CE1 4.39Å; L314-F351 HydrophobicContact CD2-CE1 3.72Å; L314-F351 HydrophobicContact CD2-CZ 3.94Å; L314-F351 HydrophobicContact CG-CE1 3.84Å; L314-F351 HydrophobicContact CG-CZ 4.46Å
315	D	98.6	Very high	92	Very high	5 Å²	5	41.9 Å²	41.9	3%	0.027	24%	0.239	C	C	.	.	H	α-helix	trans	-61.4	-39.7	175.8	-168.6	29.5	0	0	0	112	V311 K312 L318 L319 F351 P352 L353 A354	V311-D315 PolarHBondContact O-N 2.9Å; K312-D315 PolarHBondContact O-N 3.25Å; D315-L318 PolarHBondContact O-N 2.97Å; D315-L319 VanDerWaalsContact O-CB 3.26Å; D315-L319 WeakPolarHBondContact O-CB 2.92Å; D315-L319 PolarHBondContact O-N 2.97Å; D315-F351 HydrophobicContact CB-CD1 4.04Å; D315-F351 VanDerWaalsContact CG-CA 3.46Å; D315-F351 VanDerWaalsContact OD1-C 3.24Å; D315-F351 WeakPolarHBondContact OD1-CA 3.16Å; D315-F351 WeakPolarHBondContact OD1-CB 3.35Å; D315-P352 WeakPolarHBondContact OD2-CD 3.4Å; D315-P352 WeakPolarHBondContact OD2-CG 3.13Å; D315-L353 PolarHBondContact OD1-N 2.91Å; D315-L353 VanDerWaalsContact OD2-CB 3.3Å; D315-L353 WeakPolarHBondContact OD2-CB 3.46Å; D315-L353 VanDerWaalsContact OD2-CG 3.27Å; D315-L353 WeakPolarHBondContact OD2-CG 3.5Å; D315-L353 PolarHBondContact OD2-N 3.06Å; D315-A354 WeakPolarHBondContact OD1-CB 3.38Å; D315-A354 PolarHBondContact OD1-N 2.89Å
316	E	98.3	Very high	93.9	Very high	76 Å²	76	41.1 Å²	41.1	36%	0.355	23%	0.231	S	C	.	.	H	α-helix	trans	-65.5	-41.7	175.6	-70.7	173.5	-171.4	0	0	112.4	K312 M313 L314 L319 Q320 L353	K312-E316 WeakPolarHBondContact CE-OE1 3.34Å; K312-E316 IonicContact NZ-OE1 2.77Å; K312-E316 PolarHBondContact NZ-OE1 3.32Å; K312-E316 WeakPolarHBondContact O-CG 3.5Å; K312-E316 PolarHBondContact O-N 3.03Å; M313-E316 PolarHBondContact O-N 3.24Å; L314-E316 VanDerWaalsContact C-N 3.32Å; L314-E316 PolarHBondContact O-N 2.92Å; E316-L319 WeakPolarHBondContact O-CB 3.49Å; E316-L319 PolarHBondContact O-N 3.38Å; E316-Q320 WeakPolarHBondContact O-CG 3.4Å; E316-Q320 PolarHBondContact O-N 3.34Å; E316-Q320 VanDerWaalsContact O-N 3.16Å; E316-L353 HydrophobicContact CG-CD1 4.16Å
317	I	98.6	Very high	95.5	Very high	20 Å²	20	38.5 Å²	38.5	10%	0.103	21%	0.209	C	C	.	.	H	α-helix	trans	-64.2	-47.1	174.1	-70.6	162.2	0	0	0	110.5	L239 T250 V254 M313 L314 L319 Q320 L321	L239-I317 HydrophobicContact CD1-CD1 3.91Å; L239-I317 HydrophobicContact CD2-CD1 4.07Å; T250-I317 HydrophobicContact CG2-CD1 3.87Å; V254-I317 HydrophobicContact CG2-CG2 4.03Å; M313-I317 WeakPolarHBondContact O-CG1 3.44Å; M313-I317 PolarHBondContact O-N 3.36Å; L314-I317 PolarHBondContact O-N 2.83Å; I317-L319 VanDerWaalsContact C-N 3.27Å; I317-L319 PolarHBondContact O-N 3.16Å; I317-Q320 PolarHBondContact O-N 3.07Å; I317-L321 HydrophobicContact CG2-CD1 3.99Å; I317-L321 PolarHBondContact O-N 3.14Å
318	L	98.8	Very high	96.5	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-63.1	-35.9	178.5	-71.3	177.2	0	0	0	111.5	L278 L314 D315 S322 V327 V329 F351 A354 L360	L278-L318 HydrophobicContact CD1-CD2 3.67Å; L314-L318 HydrophobicContact CD1-CD1 4.27Å; L314-L318 HydrophobicContact CD1-CG 4.14Å; L314-L318 HydrophobicContact CG-CD1 4.06Å; L314-L318 HydrophobicContact CG-CG 4.36Å; L314-L318 WeakPolarHBondContact O-CB 3.44Å; L314-L318 VanDerWaalsContact O-CG 3.23Å; L314-L318 WeakPolarHBondContact O-CG 3.47Å; L314-L318 PolarHBondContact O-N 2.73Å; D315-L318 PolarHBondContact O-N 2.97Å; L318-S322 WeakPolarHBondContact O-CB 3.46Å; L318-S322 PolarHBondContact O-N 2.63Å; L318-S322 PolarHBondContact O-OG 2.78Å; L318-V327 HydrophobicContact CD2-CG1 4.1Å; L318-V329 HydrophobicContact CD1-CG2 4.3Å; L318-V329 HydrophobicContact CD2-CG2 3.63Å; L318-F351 HydrophobicContact CD1-CD1 3.82Å; L318-F351 HydrophobicContact CD1-CD2 4.47Å; L318-F351 HydrophobicContact CD1-CE1 3.84Å; L318-F351 HydrophobicContact CD1-CE2 4.48Å; L318-F351 HydrophobicContact CD1-CG 4.15Å; L318-F351 HydrophobicContact CD1-CZ 4.17Å; L318-A354 HydrophobicContact CB-CB 3.51Å; L318-L360 HydrophobicContact CD1-CD1 4.39Å; L318-L360 HydrophobicContact CD2-CD1 4.16Å
319	L	98.7	Very high	97.2	Very high	51 Å²	51	32.8 Å²	32.8	27%	0.267	17%	0.172	S	C	.	.	H	α-helix	trans	-59.1	-50.6	173.6	170.7	68.6	0	0	0	111	D315 E316 I317 S322 A323 L353 A354 Y357	D315-L319 VanDerWaalsContact O-CB 3.26Å; D315-L319 WeakPolarHBondContact O-CB 2.92Å; D315-L319 PolarHBondContact O-N 2.97Å; E316-L319 WeakPolarHBondContact O-CB 3.49Å; E316-L319 PolarHBondContact O-N 3.38Å; I317-L319 VanDerWaalsContact C-N 3.27Å; I317-L319 PolarHBondContact O-N 3.16Å; L319-S322 PolarHBondContact O-N 3.16Å; L319-A323 WeakPolarHBondContact O-CB 3.4Å; L319-A323 PolarHBondContact O-N 2.83Å; L319-L353 HydrophobicContact CB-CB 4.22Å; L319-L353 HydrophobicContact CD1-CB 4.28Å; L319-L353 HydrophobicContact CD2-CB 4.12Å; L319-L353 HydrophobicContact CD2-CD1 4.19Å; L319-L353 HydrophobicContact CG-CB 4.43Å; L319-A354 HydrophobicContact CB-CB 4.47Å; L319-Y357 HydrophobicContact CD1-CD2 4.07Å; L319-Y357 HydrophobicContact CD1-CE2 3.46Å; L319-Y357 VanDerWaalsContact CD1-CE2 3.46Å
320	Q	98.5	Very high	97.7	Very high	80 Å²	80	28.1 Å²	28.1	37%	0.374	15%	0.15	S	C	.	.	H	α-helix	trans	-62	-45.5	-179.4	-68.9	-179.3	21.9	0	0	111.9	V254 E316 I317	V254-Q320 HydrophobicContact CG1-CB 3.83Å; V254-Q320 VanDerWaalsContact CG1-OE1 3.28Å; E316-Q320 WeakPolarHBondContact O-CG 3.4Å; E316-Q320 PolarHBondContact O-N 3.34Å; E316-Q320 VanDerWaalsContact O-N 3.16Å; I317-Q320 PolarHBondContact O-N 3.07Å
321	L	98.6	Very high	98	Very high	9 Å²	9	28.1 Å²	28.1	5%	0.047	15%	0.15	C	C	.	.	H	α-helix	trans	-65.4	-48.4	177.7	-69.6	171.1	0	0	0	111.6	V254 V257 I317 A323 S324 V325 V327	V254-L321 HydrophobicContact CG1-CD2 4.22Å; V254-L321 HydrophobicContact CG1-CG 4.42Å; V254-L321 HydrophobicContact CG2-CD2 4.22Å; V254-L321 HydrophobicContact CG2-CG 4.28Å; V257-L321 HydrophobicContact CB-CD2 4.37Å; V257-L321 HydrophobicContact CG1-CD2 4.17Å; I317-L321 HydrophobicContact CG2-CD1 3.99Å; I317-L321 PolarHBondContact O-N 3.14Å; L321-A323 PolarHBondContact O-N 3.06Å; L321-S324 PolarHBondContact O-N 3.3Å; L321-V325 PolarHBondContact O-N 3.19Å; L321-V327 HydrophobicContact CB-CG2 3.62Å
322	S	98.3	Very high	98.1	Very high	1 Å²	1	27 Å²	27	1%	0.007	14%	0.144	C	C	.	.	H	α-helix	trans	-65.1	-27.9	-176.1	-55.4	0	0	0	0	112.2	L318 L319 S324 T359	L318-S322 WeakPolarHBondContact O-CB 3.46Å; L318-S322 PolarHBondContact O-N 2.63Å; L318-S322 PolarHBondContact O-OG 2.78Å; L319-S322 PolarHBondContact O-N 3.16Å; S322-S324 PolarHBondContact O-N 2.74Å; S322-T359 WeakPolarHBondContact O-CB 2.97Å; S322-T359 PolarHBondContact O-OG1 2.94Å
323	A	98.1	Very high	98	Very high	57 Å²	57	24.5 Å²	24.5	47%	0.471	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-19.5	172.7	0	0	0	0	0	113.6	L319 L321 Y357	L319-A323 WeakPolarHBondContact O-CB 3.4Å; L319-A323 PolarHBondContact O-N 2.83Å; L321-A323 PolarHBondContact O-N 3.06Å; A323-Y357 HydrophobicContact CB-CE1 3.94Å; A323-Y357 HydrophobicContact CB-CE2 4.49Å
324	S	97.5	Very high	97.8	Very high	38 Å²	38	23.4 Å²	23.4	27%	0.266	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.5	-31.2	-169.6	-160.3	0	0	0	0	114.9	R61 L321 S322	R61-S324 PolarHBondContact NE-O 3.39Å; R61-S324 PolarHBondContact NH2-OG 2.79Å; L321-S324 PolarHBondContact O-N 3.3Å; S322-S324 PolarHBondContact O-N 2.74Å
325	V	98.1	Very high	97.6	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.006	13%	0.13	C	C	.	.	S	Bend	trans	-148.6	149.6	-174.8	65.5	0	0	0	0	111.1	V257 V276 L321 V327	V257-V325 HydrophobicContact CG1-CG1 3.86Å; V276-V325 HydrophobicContact CG2-CG1 3.6Å; V276-V325 HydrophobicContact CG2-CG2 4.25Å; L321-V325 PolarHBondContact O-N 3.19Å; V325-V327 HydrophobicContact CG1-CG2 4.33Å; V325-V327 WeakPolarHBondContact O-CG2 3.43Å; V325-V327 PolarHBondContact O-N 3.1Å
326	P	98.7	Very high	97.4	Very high	29 Å²	29	26.5 Å²	26.5	19%	0.188	15%	0.148	C	C	.	.			trans	-62.7	131.6	169.7	-28.2	40.5	0	0	0	113	V64 R275 V276 T359	V64-P326 HydrophobicContact CG2-CG 3.8Å; R275-P326 HydrophobicContact CG-CB 4.36Å; R275-P326 WeakPolarHBondContact CG-O 3.24Å; V276-P326 PolarHBondContact N-O 3.45Å; P326-T359 CarbonylContact C-O 3.55Å; P326-T359 WeakPolarHBondContact CA-O 3.46Å; P326-T359 HydrophobicContact CG-CG2 4.31Å
327	V	98.9	Very high	97.2	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	121.4	-175.6	-171.2	0	0	0	0	110.1	V276 L278 L318 L321 V325 V329 T359 L360 Q361	V276-V327 WeakPolarHBondContact O-CA 3.4Å; L278-V327 HydrophobicContact CD1-CG1 4.1Å; L278-V327 HydrophobicContact CG-CG1 4.2Å; L318-V327 HydrophobicContact CD2-CG1 4.1Å; L321-V327 HydrophobicContact CB-CG2 3.62Å; V325-V327 HydrophobicContact CG1-CG2 4.33Å; V325-V327 WeakPolarHBondContact O-CG2 3.43Å; V325-V327 PolarHBondContact O-N 3.1Å; V327-V329 HydrophobicContact CG1-CG2 3.99Å; V327-T359 PolarHBondContact N-O 2.75Å; V327-L360 HydrophobicContact CB-CD1 4.37Å; V327-Q361 PolarHBondContact O-N 3.06Å
328	D	98.9	Very high	97	Very high	3 Å²	3	25.6 Å²	25.6	2%	0.016	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	124	168.8	-71	-46.1	0	0	0	109.9	R275 V276 I277 L278 Q361 V363 Y367	R275-D328 WeakPolarHBondContact CD-OD2 3.46Å; V276-D328 PolarHBondContact O-N 3.16Å; I277-D328 WeakPolarHBondContact CA-O 3.29Å; I277-D328 HydrophobicContact CG1-CB 4.35Å; L278-D328 PolarHBondContact N-O 3.31Å; D328-Q361 CarbonylContact C-O 3.58Å; D328-Q361 WeakPolarHBondContact CA-O 3.38Å; D328-Q361 WeakPolarHBondContact OD1-CB 3.44Å; D328-Q361 PolarHBondContact OD1-NE2 2.94Å; D328-V363 HydrophobicContact CB-CG1 4.44Å; D328-V363 HydrophobicContact CB-CG2 4.39Å; D328-Y367 HydrophobicContact CB-CE1 4.03Å; D328-Y367 PolarHBondContact OD1-OH 3.46Å; D328-Y367 PolarHBondContact OD2-OH 3.44Å
329	V	98.9	Very high	96.6	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	112.9	-178.1	-172.9	0	0	0	0	109.9	L278 L282 L318 V327 L346 L360 Q361 L362 V363	L278-V329 HydrophobicContact CD1-CG2 4.4Å; L282-V329 HydrophobicContact CD1-CG1 3.27Å; L318-V329 HydrophobicContact CD1-CG2 4.3Å; L318-V329 HydrophobicContact CD2-CG2 3.63Å; V327-V329 HydrophobicContact CG1-CG2 3.99Å; V329-L346 HydrophobicContact CG1-CD1 4.16Å; V329-L360 HydrophobicContact CG2-CD1 3.71Å; V329-Q361 PolarHBondContact N-O 3.13Å; V329-L362 HydrophobicContact CB-CD2 3.8Å; V329-L362 HydrophobicContact CG1-CD2 4.31Å; V329-L362 HydrophobicContact CG2-CD2 4.11Å; V329-V363 WeakPolarHBondContact O-CG2 3.46Å; V329-V363 PolarHBondContact O-N 2.79Å
330	M	98.8	Very high	96.5	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	141.5	174.1	-60.1	168.6	58.9	0	0	110.1	I277 L278 A279 G280 V363 N365 Y367 F438	I277-M330 HydrophobicContact CG2-SD 3.91Å; L278-M330 WeakPolarHBondContact O-CB 3.31Å; L278-M330 PolarHBondContact O-N 3.07Å; A279-M330 HydrophobicContact CB-SD 4.03Å; G280-M330 VanDerWaalsContact CA-O 3.22Å; G280-M330 WeakPolarHBondContact CA-O 3.28Å; G280-M330 PolarHBondContact N-O 2.91Å; G280-M330 VanDerWaalsContact N-O 3.16Å; M330-V363 HydrophobicContact CB-CG2 4.31Å; M330-V363 HydrophobicContact CG-CG2 3.49Å; M330-V363 VanDerWaalsContact CG-CG2 3.49Å; M330-N365 HydrophobicContact CE-CB 4.48Å; M330-Y367 HydrophobicContact CG-CD1 4.23Å; M330-Y367 HydrophobicContact CG-CG 4.3Å; M330-Y367 HydrophobicContact SD-CD1 3.9Å; M330-Y367 HydrophobicContact SD-CG 4.2Å; M330-F438 HydrophobicContact CE-CE2 4.34Å; M330-F438 HydrophobicContact CE-CZ 4.41Å; M330-F438 HydrophobicContact SD-CE2 3.99Å; M330-F438 HydrophobicContact SD-CZ 3.83Å
331	P	98.5	Very high	96.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.157	C	C	.	.			trans	-75.8	149.3	169.1	31.9	-35.5	0	0	0	111.8	D335 T337 Q343 L346 V363 N365 S380	P331-D335 HydrophobicContact CB-CB 4.42Å; P331-T337 HydrophobicContact CB-CG2 3.47Å; P331-T337 VanDerWaalsContact CB-CG2 3.47Å; P331-T337 HydrophobicContact CG-CG2 4.05Å; P331-Q343 HydrophobicContact CB-CB 4.48Å; P331-Q343 HydrophobicContact CG-CB 3.79Å; P331-Q343 PolarHBondContact O-OE1 3.25Å; P331-L346 HydrophobicContact CB-CD2 4.11Å; P331-L346 HydrophobicContact CB-CG 4.28Å; P331-V363 WeakPolarHBondContact CD-O 3.45Å; P331-N365 HydrophobicContact CG-CB 4.01Å; P331-N365 WeakPolarHBondContact O-CB 3.23Å; P331-N365 PolarHBondContact O-ND2 2.91Å; P331-S380 WeakPolarHBondContact O-CB 3.34Å; P331-S380 PolarHBondContact O-OG 3.35Å
332	G	97	Very high	96.4	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.154	C	C	.	.			trans	-116.8	-160.7	170.4	0	0	0	0	0	113.5	D335 Q343	G332-D335 WeakPolarHBondContact CA-OD2 3.48Å; G332-D335 PolarHBondContact N-OD2 3.05Å; G332-Q343 PolarHBondContact O-NE2 2.76Å; G332-Q343 PolarHBondContact O-OE1 2.87Å
333	E	93.6	Very high	96.4	Very high	78 Å²	78	28.3 Å²	28.3	36%	0.364	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-37.4	-174.4	-172.4	177.2	167.3	0	0	112.5	N281 Q382	N281-E333 PolarHBondContact OD1-N 3.07Å; E333-Q382 HydrophobicContact CB-CG 4.24Å
334	F	90.4	Very high	96.4	Very high	43 Å²	43	26.6 Å²	26.6	19%	0.189	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	12.1	-175.2	-48.1	-52.9	0	0	0	113.6	H285 Q288	H285-F334 HydrophobicContact CB-CD1 3.9Å; H285-F334 HydrophobicContact CB-CD2 3.86Å; H285-F334 HydrophobicContact CB-CE1 3.9Å; H285-F334 HydrophobicContact CB-CE2 3.84Å; H285-F334 HydrophobicContact CB-CG 3.89Å; H285-F334 HydrophobicContact CB-CZ 3.86Å; H285-F334 AromaticContact CD2-CD1 3.81Å; H285-F334 AromaticContact CD2-CE1 3.45Å; H285-F334 VanDerWaalsContact CD2-CE1 3.45Å; H285-F334 WeakPolarHBondContact CD2-CE1 3.47Å; Q288-F334 HydrophobicContact CG-CB 4.19Å; Q288-F334 HydrophobicContact CG-CD1 4.34Å; Q288-F334 PolarHBondContact NE2-O 2.72Å
335	D	94.9	Very high	96.4	Very high	8 Å²	8	26.7 Å²	26.7	4%	0.043	14%	0.137	C	C	.	.	S	Bend	trans	-93.7	152.3	179.4	-61.4	-46.9	0	0	0	111.6	N281 L282 L283 P331 G332 T337 L346	N281-D335 PolarHBondContact N-OD2 2.94Å; L282-D335 PolarHBondContact N-OD1 3.03Å; L282-D335 VanDerWaalsContact N-OD1 3.15Å; L282-D335 PolarHBondContact N-OD2 3.21Å; L283-D335 PolarHBondContact N-OD1 3.4Å; P331-D335 HydrophobicContact CB-CB 4.42Å; G332-D335 WeakPolarHBondContact CA-OD2 3.48Å; G332-D335 PolarHBondContact N-OD2 3.05Å; D335-T337 VanDerWaalsContact C-N 3.3Å; D335-T337 PolarHBondContact O-N 3.19Å; D335-L346 HydrophobicContact CB-CD2 4Å
336	P	93.9	Very high	96.4	Very high	63 Å²	63	26.9 Å²	26.9	41%	0.409	14%	0.138	S	C	.	.	S	Bend	trans	-72	68.5	-173.5	-20.8	36.2	0	0	0	115.1	L283 M350	L283-P336 HydrophobicContact CD1-CG 4.03Å; P336-M350 HydrophobicContact CB-CE 4.13Å; P336-M350 HydrophobicContact CB-SD 4.14Å; P336-M350 HydrophobicContact CG-CE 3.61Å; P336-M350 HydrophobicContact CG-SD 4.29Å
337	T	94.1	Very high	96.4	Very high	43 Å²	43	31.2 Å²	31.2	26%	0.264	16%	0.155	S	C	.	.	S	Bend	trans	-139.2	-171.1	174.5	-169.9	0	0	0	0	111.5	P331 D335 Q343 Q344	P331-T337 HydrophobicContact CB-CG2 3.47Å; P331-T337 VanDerWaalsContact CB-CG2 3.47Å; P331-T337 HydrophobicContact CG-CG2 4.05Å; D335-T337 VanDerWaalsContact C-N 3.3Å; D335-T337 PolarHBondContact O-N 3.19Å; T337-Q343 HydrophobicContact CG2-CB 3.93Å; T337-Q343 HydrophobicContact CG2-CG 4.43Å; T337-Q344 PolarHBondContact OG1-O 2.8Å
338	N	93.8	Very high	96.3	Very high	33 Å²	33	34.5 Å²	34.5	18%	0.176	18%	0.177	C	C	.	.			trans	-65.4	144.8	173.4	59.1	-74.3	0	0	0	112	T340 P342 Q343 Q344	N338-T340 PolarHBondContact ND2-O 2.87Å; N338-T340 PolarHBondContact ND2-OG1 3.31Å; N338-P342 PolarHBondContact ND2-O 2.92Å; N338-Q343 WeakPolarHBondContact O-CG 3.34Å; N338-Q343 PolarHBondContact O-NE2 3.34Å; N338-Q343 VanDerWaalsContact O-NE2 3.11Å; N338-Q344 WeakPolarHBondContact OD1-CB 3.35Å; N338-Q344 WeakPolarHBondContact OD1-CG 3.42Å; N338-Q344 PolarHBondContact OD1-N 3.36Å
339	Y	91.5	Very high	96.3	Very high	157 Å²	157	39.1 Å²	39.1	62%	0.616	21%	0.208	S	C	*	.	S	Bend	trans	-72.4	-37.5	177.5	180	-101.8	0	0	0	112.8
340	T	94.8	Very high	96.1	Very high	30 Å²	30	40.6 Å²	40.6	18%	0.184	22%	0.215	C	C	.	.	S	Bend	trans	-72.3	144.5	-174.9	52.8	0	0	0	0	112.6	N338 P342 Q343 G418	N338-T340 PolarHBondContact ND2-O 2.87Å; N338-T340 PolarHBondContact ND2-OG1 3.31Å; T340-P342 CarbonylContact O-C 3.44Å; T340-P342 VanDerWaalsContact O-C 3.25Å; T340-Q343 PolarHBondContact O-N 2.8Å; T340-G418 WeakPolarHBondContact CA-O 3.47Å
341	L	97	Very high	96.1	Very high	8 Å²	8	40.6 Å²	40.6	4%	0.042	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-73.6	142.1	167.1	-72	177.3	0	0	0	111.5	Q343 L417 G418 C419 Y420 F428	L341-Q343 HydrophobicContact CD2-CG 4.35Å; L341-L417 HydrophobicContact CD1-CD2 3.49Å; L341-L417 VanDerWaalsContact CD1-CD2 3.49Å; L341-L417 HydrophobicContact CD1-CG 4.13Å; L341-L417 HydrophobicContact CG-CD2 4.41Å; L341-G418 PolarHBondContact N-O 3.15Å; L341-C419 HydrophobicContact CB-CB 4.22Å; L341-C419 CarbonylContact O-C 3.56Å; L341-C419 WeakPolarHBondContact O-CA 3.45Å; L341-C419 VanDerWaalsContact O-CB 3.28Å; L341-C419 WeakPolarHBondContact O-CB 3.24Å; L341-Y420 PolarHBondContact O-N 2.71Å; L341-F428 HydrophobicContact CB-CE1 4.36Å; L341-F428 HydrophobicContact CB-CE2 4.38Å; L341-F428 HydrophobicContact CB-CZ 3.64Å
342	P	97.9	Very high	96.1	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.244	C	C	.	.	S	Bend	cis	-73.8	135.5	-11	30.5	-34.8	0	0	0	112.2	F74 L76 N338 T340 Q344 N365 F422	F74-P342 HydrophobicContact CB-CB 3.83Å; F74-P342 HydrophobicContact CB-CG 4.35Å; F74-P342 HydrophobicContact CD1-CB 4.27Å; F74-P342 HydrophobicContact CG-CB 4.47Å; F74-P342 WeakPolarHBondContact O-CB 3.45Å; F74-P342 VanDerWaalsContact O-CG 3.24Å; F74-P342 WeakPolarHBondContact O-CG 3.24Å; L76-P342 HydrophobicContact CD1-CG 4.1Å; L76-P342 HydrophobicContact CD2-CG 4.34Å; L76-P342 HydrophobicContact CG-CG 4.08Å; N338-P342 PolarHBondContact ND2-O 2.92Å; T340-P342 CarbonylContact O-C 3.44Å; T340-P342 VanDerWaalsContact O-C 3.25Å; P342-Q344 PolarHBondContact O-NE2 2.99Å; P342-Q344 VanDerWaalsContact O-NE2 3.13Å; P342-N365 CarbonylContact C-O 3.57Å; P342-N365 VanDerWaalsContact CA-O 3.25Å; P342-N365 WeakPolarHBondContact CA-O 3.23Å; P342-F422 HydrophobicContact CG-CZ 4Å
343	Q	98.3	Very high	96.2	Very high	3 Å²	3	48.8 Å²	48.8	1%	0.014	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-72.1	130.2	172.4	-53.1	-175.1	-82.9	0	0	109.8	P331 G332 T337 N338 T340 L341 T364 N365	P331-Q343 HydrophobicContact CB-CB 4.48Å; P331-Q343 HydrophobicContact CG-CB 3.79Å; P331-Q343 PolarHBondContact O-OE1 3.25Å; G332-Q343 PolarHBondContact O-NE2 2.76Å; G332-Q343 PolarHBondContact O-OE1 2.87Å; T337-Q343 HydrophobicContact CG2-CB 3.93Å; T337-Q343 HydrophobicContact CG2-CG 4.43Å; N338-Q343 WeakPolarHBondContact O-CG 3.34Å; N338-Q343 PolarHBondContact O-NE2 3.34Å; N338-Q343 VanDerWaalsContact O-NE2 3.11Å; T340-Q343 PolarHBondContact O-N 2.8Å; L341-Q343 HydrophobicContact CD2-CG 4.35Å; Q343-T364 WeakPolarHBondContact O-CA 3.3Å; Q343-N365 HydrophobicContact CB-CB 4.15Å; Q343-N365 PolarHBondContact N-O 3.3Å; Q343-N365 PolarHBondContact O-N 3.06Å; Q343-N365 PolarHBondContact OE1-ND2 3.34Å
344	Q	98.2	Very high	96.4	Very high	22 Å²	22	45 Å²	45	10%	0.103	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-78.5	156.7	178.1	-59.7	-51.8	-71.3	0	0	110.5	F74 T337 N338 P342	F74-Q344 PolarHBondContact O-NE2 3.25Å; T337-Q344 PolarHBondContact OG1-O 2.8Å; N338-Q344 WeakPolarHBondContact OD1-CB 3.35Å; N338-Q344 WeakPolarHBondContact OD1-CG 3.42Å; N338-Q344 PolarHBondContact OD1-N 3.36Å; P342-Q344 PolarHBondContact O-NE2 2.99Å; P342-Q344 VanDerWaalsContact O-NE2 3.13Å
345	P	98.5	Very high	96.7	Very high	40 Å²	40	45.9 Å²	45.9	26%	0.26	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-55.6	150.9	-178.8	-23.8	34.3	0	0	0	112.9	L362 V363 T364	P345-L362 HydrophobicContact CB-CB 4.08Å; P345-V363 VanDerWaalsContact CA-O 3.31Å; P345-V363 WeakPolarHBondContact CA-O 3.27Å; P345-T364 HydrophobicContact CG-CG2 4.09Å
346	L	98.1	Very high	96.9	Very high	4 Å²	4	49.6 Å²	49.6	2%	0.021	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-58.8	150.5	170.5	-62.6	176.6	0	0	0	110.5	L282 V329 P331 D335 M350 F351 L362	L282-L346 HydrophobicContact CD1-CD1 4.21Å; V329-L346 HydrophobicContact CG1-CD1 4.16Å; P331-L346 HydrophobicContact CB-CD2 4.11Å; P331-L346 HydrophobicContact CB-CG 4.28Å; D335-L346 HydrophobicContact CB-CD2 4Å; L346-M350 HydrophobicContact CB-SD 4.45Å; L346-F351 HydrophobicContact CB-CE2 4Å; L346-F351 HydrophobicContact CD1-CE2 4.07Å; L346-F351 HydrophobicContact CD1-CZ 3.96Å; L346-L362 HydrophobicContact CB-CD1 4.39Å; L346-L362 WeakPolarHBondContact O-CD1 3.35Å
347	H	97.9	Very high	97.1	Very high	121 Å²	121	51.2 Å²	51.2	56%	0.56	29%	0.285	S	S	*	.	P	Polyproline II helix	trans	-82.5	131.3	-176.4	-165.7	-89.1	0	0	0	110.9	C349 M350	H347-C349 VanDerWaalsContact ND1-CB 3.34Å; H347-C349 WeakPolarHBondContact ND1-CB 3.43Å; H347-C349 PolarHBondContact ND1-N 3.03Å; H347-C349 PolarHBondContact ND1-SG 3.49Å; H347-C349 PolarHBondContact O-N 3.12Å; H347-M350 WeakPolarHBondContact O-CB 3.34Å; H347-M350 WeakPolarHBondContact O-CG 3.44Å; H347-M350 PolarHBondContact O-N 3.19Å; H347-M350 VanDerWaalsContact O-N 3.07Å
348	P	98.1	Very high	97.2	Very high	69 Å²	69	55.3 Å²	55.3	45%	0.448	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-56.6	-23.6	-178.1	-28.4	35.4	0	0	0	115.4	M350 F351 T355 L362	P348-M350 PolarHBondContact O-N 2.91Å; P348-M350 VanDerWaalsContact O-N 3.07Å; P348-F351 PolarHBondContact O-N 2.92Å; P348-T355 HydrophobicContact CB-CG2 3.99Å; P348-L362 HydrophobicContact CG-CD1 4.14Å
349	C	97.4	Very high	97.4	Very high	100 Å²	100	55.7 Å²	55.7	68%	0.676	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-62.7	-15.2	177.9	79.2	0	0	0	0	113.9	H347 F351	H347-C349 VanDerWaalsContact ND1-CB 3.34Å; H347-C349 WeakPolarHBondContact ND1-CB 3.43Å; H347-C349 PolarHBondContact ND1-N 3.03Å; H347-C349 PolarHBondContact ND1-SG 3.49Å; H347-C349 PolarHBondContact O-N 3.12Å; C349-F351 VanDerWaalsContact C-N 3.3Å
350	M	96.4	Very high	97.8	Very high	31 Å²	31	49.3 Å²	49.3	15%	0.153	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-75.3	-21.1	174.7	-63.7	176.6	59.8	0	0	112.7	V311 P336 L346 H347 P348 P352	V311-M350 HydrophobicContact CG1-CB 4.04Å; V311-M350 HydrophobicContact CG1-CE 4.11Å; V311-M350 WeakPolarHBondContact CG1-O 3.49Å; V311-M350 HydrophobicContact CG2-CE 3.87Å; P336-M350 HydrophobicContact CB-CE 4.13Å; P336-M350 HydrophobicContact CB-SD 4.14Å; P336-M350 HydrophobicContact CG-CE 3.61Å; P336-M350 HydrophobicContact CG-SD 4.29Å; L346-M350 HydrophobicContact CB-SD 4.45Å; H347-M350 WeakPolarHBondContact O-CB 3.34Å; H347-M350 WeakPolarHBondContact O-CG 3.44Å; H347-M350 PolarHBondContact O-N 3.19Å; H347-M350 VanDerWaalsContact O-N 3.07Å; P348-M350 PolarHBondContact O-N 2.91Å; P348-M350 VanDerWaalsContact O-N 3.07Å; M350-P352 VanDerWaalsContact C-CD 3.43Å; M350-P352 WeakPolarHBondContact O-CD 3.47Å
351	F	98	Very high	98	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	30%	0.299	C	S	.	.			trans	-128.2	60.9	-166.8	-51.7	-58.3	0	0	0	112.2	L314 D315 L318 L346 P348 C349 L353 A354 T355 L362	L314-F351 HydrophobicContact CB-CE1 4.39Å; L314-F351 HydrophobicContact CD2-CE1 3.72Å; L314-F351 HydrophobicContact CD2-CZ 3.94Å; L314-F351 HydrophobicContact CG-CE1 3.84Å; L314-F351 HydrophobicContact CG-CZ 4.46Å; D315-F351 HydrophobicContact CB-CD1 4.04Å; D315-F351 VanDerWaalsContact CG-CA 3.46Å; D315-F351 VanDerWaalsContact OD1-C 3.24Å; D315-F351 WeakPolarHBondContact OD1-CA 3.16Å; D315-F351 WeakPolarHBondContact OD1-CB 3.35Å; L318-F351 HydrophobicContact CD1-CD1 3.82Å; L318-F351 HydrophobicContact CD1-CD2 4.47Å; L318-F351 HydrophobicContact CD1-CE1 3.84Å; L318-F351 HydrophobicContact CD1-CE2 4.48Å; L318-F351 HydrophobicContact CD1-CG 4.15Å; L318-F351 HydrophobicContact CD1-CZ 4.17Å; L346-F351 HydrophobicContact CB-CE2 4Å; L346-F351 HydrophobicContact CD1-CE2 4.07Å; L346-F351 HydrophobicContact CD1-CZ 3.96Å; P348-F351 PolarHBondContact O-N 2.92Å; C349-F351 VanDerWaalsContact C-N 3.3Å; F351-L353 PolarHBondContact O-N 2.7Å; F351-A354 HydrophobicContact CB-CB 4.46Å; F351-T355 HydrophobicContact CB-CG2 4.02Å; F351-T355 WeakPolarHBondContact O-CB 3.42Å; F351-T355 WeakPolarHBondContact O-CG2 3.4Å; F351-T355 PolarHBondContact O-N 2.84Å; F351-T355 VanDerWaalsContact O-N 3.13Å; F351-T355 PolarHBondContact O-OG1 2.99Å; F351-L362 HydrophobicContact CD2-CD1 3.99Å; F351-L362 HydrophobicContact CD2-CD2 4.06Å; F351-L362 HydrophobicContact CE2-CD1 4.21Å; F351-L362 HydrophobicContact CE2-CD2 3.97Å
352	P	97.9	Very high	98	Very high	93 Å²	93	51.4 Å²	51.4	60%	0.604	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-29	-177.2	25	-35.6	0	0	0	113.9	D315 M350	D315-P352 WeakPolarHBondContact OD2-CD 3.4Å; D315-P352 WeakPolarHBondContact OD2-CG 3.13Å; M350-P352 VanDerWaalsContact C-CD 3.43Å; M350-P352 WeakPolarHBondContact O-CD 3.47Å
353	L	98.6	Very high	98.1	Very high	78 Å²	78	51.4 Å²	51.4	41%	0.408	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-52.8	179.5	-57.6	175.4	0	0	0	111.4	D315 E316 L319 F351 T355 A356	D315-L353 PolarHBondContact OD1-N 2.91Å; D315-L353 VanDerWaalsContact OD2-CB 3.3Å; D315-L353 WeakPolarHBondContact OD2-CB 3.46Å; D315-L353 VanDerWaalsContact OD2-CG 3.27Å; D315-L353 WeakPolarHBondContact OD2-CG 3.5Å; D315-L353 PolarHBondContact OD2-N 3.06Å; E316-L353 HydrophobicContact CG-CD1 4.16Å; L319-L353 HydrophobicContact CB-CB 4.22Å; L319-L353 HydrophobicContact CD1-CB 4.28Å; L319-L353 HydrophobicContact CD2-CB 4.12Å; L319-L353 HydrophobicContact CD2-CD1 4.19Å; L319-L353 HydrophobicContact CG-CB 4.43Å; F351-L353 PolarHBondContact O-N 2.7Å; L353-T355 PolarHBondContact O-N 3.02Å; L353-A356 VanDerWaalsContact O-CB 3.3Å; L353-A356 WeakPolarHBondContact O-CB 3.4Å; L353-A356 PolarHBondContact O-N 2.86Å
354	A	98.4	Very high	98.1	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-72.2	-29.7	-171.4	0	0	0	0	0	112.8	D315 L318 L319 F351 A356 Y357 L360	D315-A354 WeakPolarHBondContact OD1-CB 3.38Å; D315-A354 PolarHBondContact OD1-N 2.89Å; L318-A354 HydrophobicContact CB-CB 3.51Å; L319-A354 HydrophobicContact CB-CB 4.47Å; F351-A354 HydrophobicContact CB-CB 4.46Å; A354-A356 PolarHBondContact O-N 2.9Å; A354-A356 VanDerWaalsContact O-N 3.14Å; A354-Y357 PolarHBondContact O-N 3.24Å; A354-L360 HydrophobicContact CB-CD2 3.65Å
355	T	97.9	Very high	98.1	Very high	61 Å²	61	50.2 Å²	50.2	37%	0.374	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-67.9	-8.9	177.1	55	0	0	0	0	114.2	P348 F351 L353 Y357 L360	P348-T355 HydrophobicContact CB-CG2 3.99Å; F351-T355 HydrophobicContact CB-CG2 4.02Å; F351-T355 WeakPolarHBondContact O-CB 3.42Å; F351-T355 WeakPolarHBondContact O-CG2 3.4Å; F351-T355 PolarHBondContact O-N 2.84Å; F351-T355 VanDerWaalsContact O-N 3.13Å; F351-T355 PolarHBondContact O-OG1 2.99Å; L353-T355 PolarHBondContact O-N 3.02Å; T355-Y357 PolarHBondContact O-N 2.82Å; T355-L360 HydrophobicContact CG2-CD2 4Å
356	A	97.8	Very high	98.1	Very high	85 Å²	85	48.3 Å²	48.3	70%	0.702	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-64.8	-22.4	168.9	0	0	0	0	0	112.6	L353 A354	L353-A356 VanDerWaalsContact O-CB 3.3Å; L353-A356 WeakPolarHBondContact O-CB 3.4Å; L353-A356 PolarHBondContact O-N 2.86Å; A354-A356 PolarHBondContact O-N 2.9Å; A354-A356 VanDerWaalsContact O-N 3.14Å
357	Y	98.3	Very high	98.2	Very high	98 Å²	98	48.1 Å²	48.1	38%	0.384	29%	0.285	S	S	.	.	S	Bend	trans	-99	132.6	180	-69.2	-94.1	0	0	0	111.8	L319 A323 A354 T355 T359 L360	L319-Y357 HydrophobicContact CD1-CD2 4.07Å; L319-Y357 HydrophobicContact CD1-CE2 3.46Å; L319-Y357 VanDerWaalsContact CD1-CE2 3.46Å; A323-Y357 HydrophobicContact CB-CE1 3.94Å; A323-Y357 HydrophobicContact CB-CE2 4.49Å; A354-Y357 PolarHBondContact O-N 3.24Å; T355-Y357 PolarHBondContact O-N 2.82Å; Y357-T359 WeakPolarHBondContact CB-OG1 3.47Å; Y357-T359 PolarHBondContact O-N 3.16Å; Y357-L360 PolarHBondContact O-N 2.9Å
358	S	97.3	Very high	98.2	Very high	128 Å²	128	44.3 Å²	44.3	90%	0.895	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-4.7	175.3	61.5	0	0	0	0	114.1
359	T	97.9	Very high	98.2	Very high	42 Å²	42	41.1 Å²	41.1	26%	0.258	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-17	176.7	46.8	0	0	0	0	112.4	S322 P326 V327 Y357	S322-T359 WeakPolarHBondContact O-CB 2.97Å; S322-T359 PolarHBondContact O-OG1 2.94Å; P326-T359 CarbonylContact C-O 3.55Å; P326-T359 WeakPolarHBondContact CA-O 3.46Å; P326-T359 HydrophobicContact CG-CG2 4.31Å; V327-T359 PolarHBondContact N-O 2.75Å; Y357-T359 WeakPolarHBondContact CB-OG1 3.47Å; Y357-T359 PolarHBondContact O-N 3.16Å
360	L	98.7	Very high	98.3	Very high	22 Å²	22	38 Å²	38	12%	0.115	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	130.8	172.4	-179.3	66.3	0	0	0	110.6	L318 V327 V329 A354 T355 Y357 L362	L318-L360 HydrophobicContact CD1-CD1 4.39Å; L318-L360 HydrophobicContact CD2-CD1 4.16Å; V327-L360 HydrophobicContact CB-CD1 4.37Å; V329-L360 HydrophobicContact CG2-CD1 3.71Å; A354-L360 HydrophobicContact CB-CD2 3.65Å; T355-L360 HydrophobicContact CG2-CD2 4Å; Y357-L360 PolarHBondContact O-N 2.9Å; L360-L362 HydrophobicContact CD1-CD2 4.38Å; L360-L362 HydrophobicContact CD2-CD2 4.47Å; L360-L362 HydrophobicContact CG-CD2 4.42Å
361	Q	98.6	Very high	98.4	Very high	58 Å²	58	36.6 Å²	36.6	27%	0.271	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	124.3	172.9	-162.1	-176.8	-96.3	0	0	111.4	Y67 N69 V327 D328 V329 V363	Y67-Q361 PolarHBondContact OH-NE2 3.5Å; N69-Q361 PolarHBondContact ND2-NE2 2.98Å; N69-Q361 VanDerWaalsContact ND2-NE2 3.14Å; V327-Q361 PolarHBondContact O-N 3.06Å; D328-Q361 CarbonylContact C-O 3.58Å; D328-Q361 WeakPolarHBondContact CA-O 3.38Å; D328-Q361 WeakPolarHBondContact OD1-CB 3.44Å; D328-Q361 PolarHBondContact OD1-NE2 2.94Å; V329-Q361 PolarHBondContact N-O 3.13Å; Q361-V363 HydrophobicContact CG-CG1 3.99Å
362	L	98.8	Very high	98.3	Very high	24 Å²	24	37 Å²	37	13%	0.126	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	122.2	173.1	-50.9	178.5	0	0	0	108.5	V329 P345 L346 P348 F351 L360	V329-L362 HydrophobicContact CB-CD2 3.8Å; V329-L362 HydrophobicContact CG1-CD2 4.31Å; V329-L362 HydrophobicContact CG2-CD2 4.11Å; P345-L362 HydrophobicContact CB-CB 4.08Å; L346-L362 HydrophobicContact CB-CD1 4.39Å; L346-L362 WeakPolarHBondContact O-CD1 3.35Å; P348-L362 HydrophobicContact CG-CD1 4.14Å; F351-L362 HydrophobicContact CD2-CD1 3.99Å; F351-L362 HydrophobicContact CD2-CD2 4.06Å; F351-L362 HydrophobicContact CE2-CD1 4.21Å; F351-L362 HydrophobicContact CE2-CD2 3.97Å; L360-L362 HydrophobicContact CD1-CD2 4.38Å; L360-L362 HydrophobicContact CD2-CD2 4.47Å; L360-L362 HydrophobicContact CG-CD2 4.42Å
363	V	98.8	Very high	98.2	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	20%	0.199	C	C	.	.			trans	-121.1	172.5	-171.4	-60.6	0	0	0	0	112.4	D328 V329 M330 P331 P345 Q361 Y367	D328-V363 HydrophobicContact CB-CG1 4.44Å; D328-V363 HydrophobicContact CB-CG2 4.39Å; V329-V363 WeakPolarHBondContact O-CG2 3.46Å; V329-V363 PolarHBondContact O-N 2.79Å; M330-V363 HydrophobicContact CB-CG2 4.31Å; M330-V363 HydrophobicContact CG-CG2 3.49Å; M330-V363 VanDerWaalsContact CG-CG2 3.49Å; P331-V363 WeakPolarHBondContact CD-O 3.45Å; P345-V363 VanDerWaalsContact CA-O 3.31Å; P345-V363 WeakPolarHBondContact CA-O 3.27Å; Q361-V363 HydrophobicContact CG-CG1 3.99Å; V363-Y367 HydrophobicContact CB-CD2 3.79Å; V363-Y367 HydrophobicContact CB-CE2 3.97Å; V363-Y367 HydrophobicContact CB-CG 4.34Å; V363-Y367 HydrophobicContact CG1-CD2 4.13Å; V363-Y367 HydrophobicContact CG1-CE2 3.77Å; V363-Y367 HydrophobicContact CG2-CD1 4.18Å; V363-Y367 HydrophobicContact CG2-CD2 3.85Å; V363-Y367 HydrophobicContact CG2-CE1 4.42Å; V363-Y367 HydrophobicContact CG2-CE2 4.18Å; V363-Y367 HydrophobicContact CG2-CG 3.88Å
364	T	98.8	Very high	98.2	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.18	C	C	.	.			trans	-79.6	166.2	179.7	50.9	0	0	0	0	111.8	S71 F74 R75 Q343 P345 P366 Y367	S71-T364 WeakPolarHBondContact CB-OG1 3.37Å; S71-T364 PolarHBondContact OG-OG1 2.86Å; F74-T364 HydrophobicContact CB-CG2 4.3Å; R75-T364 HydrophobicContact CG-CG2 3.63Å; Q343-T364 WeakPolarHBondContact O-CA 3.3Å; P345-T364 HydrophobicContact CG-CG2 4.09Å; T364-P366 CarbonylContact C-O 3.58Å; T364-P366 VanDerWaalsContact C-O 3.32Å; T364-P366 WeakPolarHBondContact CB-O 3.22Å; T364-P366 CarbonylContact O-C 3.59Å; T364-P366 PolarHBondContact OG1-O 2.94Å; T364-Y367 WeakPolarHBondContact O-CB 3.5Å
365	N	98.6	Very high	98.2	Very high	0 Å²	0	31 Å²	31	0%	0	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-123	116.4	159.2	174.3	28.6	0	0	0	108.5	M330 P331 P342 Q343 T379 S380 Q382	M330-N365 HydrophobicContact CE-CB 4.48Å; P331-N365 HydrophobicContact CG-CB 4.01Å; P331-N365 WeakPolarHBondContact O-CB 3.23Å; P331-N365 PolarHBondContact O-ND2 2.91Å; P342-N365 CarbonylContact C-O 3.57Å; P342-N365 VanDerWaalsContact CA-O 3.25Å; P342-N365 WeakPolarHBondContact CA-O 3.23Å; Q343-N365 HydrophobicContact CB-CB 4.15Å; Q343-N365 PolarHBondContact N-O 3.3Å; Q343-N365 PolarHBondContact O-N 3.06Å; Q343-N365 PolarHBondContact OE1-ND2 3.34Å; N365-T379 WeakPolarHBondContact OD1-CA 3.48Å; N365-S380 WeakPolarHBondContact ND2-CB 3.36Å; N365-S380 PolarHBondContact ND2-OG 3.29Å; N365-S380 PolarHBondContact OD1-N 3.44Å; N365-S380 VanDerWaalsContact OD1-N 3.13Å; N365-Q382 PolarHBondContact ND2-OE1 2.99Å
366	P	98.8	Very high	98.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	17%	0.167	C	C	.	.	S	Bend	cis	-66.3	159.4	3.4	-22.1	35.7	0	0	0	114.8	F74 T364 T379 I409 F428	F74-P366 HydrophobicContact CD1-CB 4.38Å; F74-P366 HydrophobicContact CD1-CG 4.2Å; F74-P366 HydrophobicContact CD2-CB 4.17Å; F74-P366 WeakPolarHBondContact CD2-O 3.11Å; F74-P366 HydrophobicContact CE1-CB 4.15Å; F74-P366 HydrophobicContact CE1-CG 4.01Å; F74-P366 HydrophobicContact CE2-CB 3.94Å; F74-P366 HydrophobicContact CG-CB 4.39Å; F74-P366 HydrophobicContact CZ-CB 3.93Å; F74-P366 HydrophobicContact CZ-CG 4.27Å; T364-P366 CarbonylContact C-O 3.58Å; T364-P366 VanDerWaalsContact C-O 3.32Å; T364-P366 WeakPolarHBondContact CB-O 3.22Å; T364-P366 CarbonylContact O-C 3.59Å; T364-P366 PolarHBondContact OG1-O 2.94Å; P366-T379 HydrophobicContact CB-CG2 4.15Å; P366-T379 HydrophobicContact CG-CG2 4.18Å; P366-I409 HydrophobicContact CG-CG2 4.35Å; P366-F428 HydrophobicContact CG-CD1 4.4Å; P366-F428 HydrophobicContact CG-CE1 4.14Å
367	Y	98.9	Very high	98.3	Very high	1 Å²	1	24.3 Å²	24.3	0%	0.004	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	139.7	177.5	179	-138.9	0	0	0	111.1	Y67 I277 D328 M330 V363 T364 A369 L377 G378	Y67-Y367 PolarHBondContact OH-OH 3.04Å; I277-Y367 HydrophobicContact CD1-CE1 4.12Å; I277-Y367 HydrophobicContact CG2-CD1 4.37Å; I277-Y367 HydrophobicContact CG2-CE1 4.45Å; D328-Y367 HydrophobicContact CB-CE1 4.03Å; D328-Y367 PolarHBondContact OD1-OH 3.46Å; D328-Y367 PolarHBondContact OD2-OH 3.44Å; M330-Y367 HydrophobicContact CG-CD1 4.23Å; M330-Y367 HydrophobicContact CG-CG 4.3Å; M330-Y367 HydrophobicContact SD-CD1 3.9Å; M330-Y367 HydrophobicContact SD-CG 4.2Å; V363-Y367 HydrophobicContact CB-CD2 3.79Å; V363-Y367 HydrophobicContact CB-CE2 3.97Å; V363-Y367 HydrophobicContact CB-CG 4.34Å; V363-Y367 HydrophobicContact CG1-CD2 4.13Å; V363-Y367 HydrophobicContact CG1-CE2 3.77Å; V363-Y367 HydrophobicContact CG2-CD1 4.18Å; V363-Y367 HydrophobicContact CG2-CD2 3.85Å; V363-Y367 HydrophobicContact CG2-CE1 4.42Å; V363-Y367 HydrophobicContact CG2-CE2 4.18Å; V363-Y367 HydrophobicContact CG2-CG 3.88Å; T364-Y367 WeakPolarHBondContact O-CB 3.5Å; Y367-A369 HydrophobicContact CE1-CB 4.34Å; Y367-A369 HydrophobicContact CE2-CB 3.89Å; Y367-A369 VanDerWaalsContact OH-CB 3.27Å; Y367-A369 WeakPolarHBondContact OH-CB 3.42Å; Y367-L377 WeakPolarHBondContact O-CA 3.33Å; Y367-G378 PolarHBondContact N-O 3.03Å; Y367-G378 PolarHBondContact O-N 3.26Å
368	Q	98.7	Very high	98.3	Very high	41 Å²	41	19.7 Å²	19.7	19%	0.192	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	131.5	175.5	-166.2	-175.1	-29.7	0	0	110.3	S70 S71 F74 F376 L377	S70-Q368 CarbonylContact C-O 3.57Å; S70-Q368 PolarHBondContact N-O 2.72Å; S70-Q368 WeakPolarHBondContact OG-CG 3.29Å; S70-Q368 PolarHBondContact OG-NE2 3.35Å; S70-Q368 PolarHBondContact OG-O 3.47Å; S71-Q368 PolarHBondContact N-O 2.84Å; F74-Q368 HydrophobicContact CE2-CB 4.41Å; Q368-F376 WeakPolarHBondContact CA-O 3.37Å; Q368-F376 WeakPolarHBondContact CG-O 3.32Å; Q368-L377 HydrophobicContact CG-CB 4.42Å; Q368-L377 HydrophobicContact CG-CD1 4.36Å
369	A	98.6	Very high	98.4	Very high	1 Å²	1	13.7 Å²	13.7	1%	0.008	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	160.1	175.8	0	0	0	0	0	112.3	Y67 T68 Y367 F376	Y67-A369 HydrophobicContact CE2-CB 3.73Å; T68-A369 CarbonylContact O-C 3.59Å; T68-A369 VanDerWaalsContact O-CA 3.25Å; T68-A369 WeakPolarHBondContact O-CA 3.15Å; T68-A369 WeakPolarHBondContact O-CB 3.34Å; Y367-A369 HydrophobicContact CE1-CB 4.34Å; Y367-A369 HydrophobicContact CE2-CB 3.89Å; Y367-A369 VanDerWaalsContact OH-CB 3.27Å; Y367-A369 WeakPolarHBondContact OH-CB 3.42Å; A369-F376 PolarHBondContact N-O 3.03Å; A369-F376 PolarHBondContact O-N 2.86Å
370	T	98.6	Very high	98.4	Very high	36 Å²	36	11.8 Å²	11.8	22%	0.221	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	121.1	167.6	-52.7	0	0	0	0	108.8	Y67 T68 V374 R375	Y67-T370 WeakPolarHBondContact CA-O 3.3Å; T68-T370 PolarHBondContact N-O 2.92Å; T68-T370 PolarHBondContact O-N 3.12Å; T370-V374 CarbonylContact C-O 3.55Å; T370-V374 WeakPolarHBondContact CA-O 3.29Å; T370-R375 HydrophobicContact CG2-CG 4.27Å
371	I	98	Very high	98.4	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	112.1	-177.6	-56.2	172	0	0	0	106.8	Y67 V231 I277 G373 V374 F376 L477	Y67-I371 HydrophobicContact CD2-CG1 4.21Å; Y67-I371 HydrophobicContact CE2-CG1 4.4Å; V231-I371 HydrophobicContact CG2-CD1 4.15Å; V231-I371 HydrophobicContact CG2-CG2 4.03Å; I277-I371 HydrophobicContact CD1-CD1 4.14Å; I371-G373 PolarHBondContact O-N 3.25Å; I371-V374 PolarHBondContact N-O 2.81Å; I371-V374 WeakPolarHBondContact O-CB 3.17Å; I371-V374 PolarHBondContact O-N 2.72Å; I371-F376 HydrophobicContact CB-CD2 4.34Å; I371-F376 HydrophobicContact CB-CE2 4.35Å; I371-F376 HydrophobicContact CD1-CD2 3.94Å; I371-F376 HydrophobicContact CD1-CE2 4.23Å; I371-F376 HydrophobicContact CD1-CG 4.21Å; I371-F376 HydrophobicContact CG1-CD2 4.29Å; I371-L477 HydrophobicContact CG2-CD1 3.85Å
372	D	95.8	Very high	98.4	Very high	9 Å²	9	9 Å²	9	5%	0.048	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.2	45.2	-176.9	-67.6	-27.2	0	0	0	113	T66 L225 V374 L477	T66-D372 PolarHBondContact N-OD1 3.11Å; T66-D372 VanDerWaalsContact N-OD1 3.12Å; T66-D372 PolarHBondContact O-N 2.89Å; T66-D372 VanDerWaalsContact OG1-CA 3.31Å; T66-D372 WeakPolarHBondContact OG1-CA 3.34Å; T66-D372 PolarHBondContact OG1-OD1 3.45Å; L225-D372 HydrophobicContact CD1-CB 4.28Å; L225-D372 HydrophobicContact CD2-CB 4.26Å; D372-V374 PolarHBondContact O-N 3.06Å; D372-L477 HydrophobicContact CB-CD1 4.11Å
373	G	96	Very high	98.4	Very high	17 Å²	17	8 Å²	8	18%	0.175	5%	0.045	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.2	-11.1	-179.8	0	0	0	0	0	115.8	I371	I371-G373 PolarHBondContact O-N 3.25Å
374	V	98.2	Very high	98.4	Very high	2 Å²	2	8 Å²	8	1%	0.012	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	130.1	176.8	-175.4	0	0	0	0	109.6	A222 T370 I371 D372 F376 H435 V436 L477 L480	A222-V374 HydrophobicContact CB-CG2 4.41Å; T370-V374 CarbonylContact C-O 3.55Å; T370-V374 WeakPolarHBondContact CA-O 3.29Å; I371-V374 PolarHBondContact N-O 2.81Å; I371-V374 WeakPolarHBondContact O-CB 3.17Å; I371-V374 PolarHBondContact O-N 2.72Å; D372-V374 PolarHBondContact O-N 3.06Å; V374-F376 HydrophobicContact CB-CD2 4.43Å; V374-F376 HydrophobicContact CB-CE2 3.93Å; V374-F376 HydrophobicContact CG1-CD2 4.07Å; V374-F376 HydrophobicContact CG1-CE2 3.55Å; V374-F376 HydrophobicContact CG1-CZ 4.36Å; V374-H435 HydrophobicContact CG1-CB 3.67Å; V374-V436 HydrophobicContact CG1-CG2 3.89Å; V374-L477 HydrophobicContact CB-CD2 4.23Å; V374-L477 HydrophobicContact CG1-CD2 4.34Å; V374-L477 HydrophobicContact CG2-CB 4.08Å; V374-L477 HydrophobicContact CG2-CD2 4.28Å; V374-L480 HydrophobicContact CG1-CD2 4.02Å
375	R	98.6	Very high	98.3	Very high	25 Å²	25	9.7 Å²	9.7	9%	0.094	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	114.4	-175	-73.7	-175.4	-68.6	134.2	16.1	108.9	Q219 K220 T370 E432 C433 H435 V436	Q219-R375 VanDerWaalsContact CG-NH2 3.26Å; K220-R375 PolarHBondContact O-NH2 3.39Å; T370-R375 HydrophobicContact CG2-CG 4.27Å; R375-E432 IonicContact CZ-OE2 2.88Å; R375-E432 IonicContact NH1-OE2 3.57Å; R375-E432 PolarHBondContact NH1-OE2 3.23Å; R375-C433 PolarHBondContact NH1-O 3.16Å; R375-C433 VanDerWaalsContact NH1-O 3.13Å; R375-C433 PolarHBondContact NH2-O 2.72Å; R375-H435 PolarHBondContact N-ND1 2.72Å; R375-H435 WeakPolarHBondContact O-CA 3.43Å; R375-H435 PolarHBondContact O-N 2.92Å; R375-V436 PolarHBondContact O-N 3.43Å
376	F	98.8	Very high	98.3	Very high	2 Å²	2	10.3 Å²	10.3	1%	0.009	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	138.4	176.1	-77.1	-108.8	0	0	0	109.7	V231 Q368 A369 I371 V374 V436 F438 V475 L477	V231-F376 HydrophobicContact CB-CE1 4.48Å; V231-F376 HydrophobicContact CB-CZ 4.27Å; V231-F376 HydrophobicContact CG1-CE1 4.31Å; V231-F376 HydrophobicContact CG2-CZ 4.15Å; Q368-F376 WeakPolarHBondContact CA-O 3.37Å; Q368-F376 WeakPolarHBondContact CG-O 3.32Å; A369-F376 PolarHBondContact N-O 3.03Å; A369-F376 PolarHBondContact O-N 2.86Å; I371-F376 HydrophobicContact CB-CD2 4.34Å; I371-F376 HydrophobicContact CB-CE2 4.35Å; I371-F376 HydrophobicContact CD1-CD2 3.94Å; I371-F376 HydrophobicContact CD1-CE2 4.23Å; I371-F376 HydrophobicContact CD1-CG 4.21Å; I371-F376 HydrophobicContact CG1-CD2 4.29Å; V374-F376 HydrophobicContact CB-CD2 4.43Å; V374-F376 HydrophobicContact CB-CE2 3.93Å; V374-F376 HydrophobicContact CG1-CD2 4.07Å; V374-F376 HydrophobicContact CG1-CE2 3.55Å; V374-F376 HydrophobicContact CG1-CZ 4.36Å; F376-V436 WeakPolarHBondContact CA-O 3.49Å; F376-V436 HydrophobicContact CD1-CB 3.75Å; F376-V436 HydrophobicContact CD1-CG1 3.84Å; F376-V436 HydrophobicContact CD1-CG2 4.34Å; F376-V436 HydrophobicContact CD2-CB 4.45Å; F376-V436 HydrophobicContact CD2-CG2 4.49Å; F376-V436 HydrophobicContact CE1-CB 3.71Å; F376-V436 HydrophobicContact CE1-CG1 3.64Å; F376-V436 HydrophobicContact CE1-CG2 3.87Å; F376-V436 HydrophobicContact CE2-CB 4.4Å; F376-V436 HydrophobicContact CE2-CG2 4.04Å; F376-V436 HydrophobicContact CG-CB 4.12Å; F376-V436 HydrophobicContact CZ-CB 4.04Å; F376-V436 HydrophobicContact CZ-CG1 4.32Å; F376-V436 HydrophobicContact CZ-CG2 3.69Å; F376-F438 HydrophobicContact CD1-CD1 4.33Å; F376-F438 HydrophobicContact CD1-CE1 4.38Å; F376-V475 HydrophobicContact CZ-CG1 4.32Å; F376-L477 HydrophobicContact CE2-CD2 3.53Å; F376-L477 HydrophobicContact CZ-CD2 3.46Å; F376-L477 VanDerWaalsContact CZ-CD2 3.46Å
377	L	98.9	Very high	98.3	Very high	5 Å²	5	10.3 Å²	10.3	3%	0.026	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	138.2	164.1	-171.9	151.9	0	0	0	107.5	Y367 Q368 I409 F430 P434 V436 Y437 F438	Y367-L377 WeakPolarHBondContact O-CA 3.33Å; Q368-L377 HydrophobicContact CG-CB 4.42Å; Q368-L377 HydrophobicContact CG-CD1 4.36Å; L377-I409 HydrophobicContact CD1-CD1 4.19Å; L377-I409 HydrophobicContact CD2-CD1 4.02Å; L377-I409 HydrophobicContact CD2-CG1 4.3Å; L377-F430 HydrophobicContact CD1-CD1 4.15Å; L377-F430 HydrophobicContact CD1-CE1 4.04Å; L377-F430 HydrophobicContact CD2-CE1 3.96Å; L377-P434 HydrophobicContact CB-CB 3.86Å; L377-P434 HydrophobicContact CB-CG 4.24Å; L377-V436 PolarHBondContact N-O 3.06Å; L377-Y437 HydrophobicContact CB-CD2 4.37Å; L377-Y437 HydrophobicContact CD2-CD2 3.46Å; L377-Y437 VanDerWaalsContact CD2-CD2 3.46Å; L377-Y437 HydrophobicContact CD2-CE2 3.27Å; L377-Y437 VanDerWaalsContact O-CA 3.3Å; L377-Y437 WeakPolarHBondContact O-CA 3.43Å; L377-Y437 WeakPolarHBondContact O-CD2 3.39Å; L377-F438 WeakPolarHBondContact O-CD1 3.38Å; L377-F438 PolarHBondContact O-N 3.41Å
378	G	98.8	Very high	98.3	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.6	169.6	173	0	0	0	0	0	114.1	Y367 F438	Y367-G378 PolarHBondContact N-O 3.03Å; Y367-G378 PolarHBondContact O-N 3.26Å; G378-F438 WeakPolarHBondContact CA-O 3.36Å
379	T	98.9	Very high	98.2	Very high	3 Å²	3	14.7 Å²	14.7	2%	0.018	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	163.4	179.9	68.2	0	0	0	0	110.2	N365 P366 G381 N383 I409 F438 G440	N365-T379 WeakPolarHBondContact OD1-CA 3.48Å; P366-T379 HydrophobicContact CB-CG2 4.15Å; P366-T379 HydrophobicContact CG-CG2 4.18Å; T379-G381 PolarHBondContact O-N 3.15Å; T379-G381 PolarHBondContact OG1-N 2.82Å; T379-N383 WeakPolarHBondContact CB-OD1 3.45Å; T379-N383 PolarHBondContact OG1-OD1 2.87Å; T379-I409 HydrophobicContact CG2-CG2 3.71Å; T379-F438 PolarHBondContact N-O 3.46Å; T379-G440 PolarHBondContact O-N 3.35Å
380	S	98.8	Very high	98.2	Very high	2 Å²	2	15.4 Å²	15.4	1%	0.014	8%	0.079	C	C	.	.			trans	-79.7	14.6	170.8	-49.6	0	0	0	0	113.1	P331 N365 N441	P331-S380 WeakPolarHBondContact O-CB 3.34Å; P331-S380 PolarHBondContact O-OG 3.35Å; N365-S380 WeakPolarHBondContact ND2-CB 3.36Å; N365-S380 PolarHBondContact ND2-OG 3.29Å; N365-S380 PolarHBondContact OD1-N 3.44Å; N365-S380 VanDerWaalsContact OD1-N 3.13Å; S380-N441 PolarHBondContact O-ND2 3.4Å
381	G	98.3	Very high	98.2	Very high	1 Å²	1	13.7 Å²	13.7	1%	0.01	7%	0.068	C	C	.	.	S	Bend	trans	98.9	-15.7	168.1	0	0	0	0	0	117.6	T379 N383 V384 S385 C439 G440	T379-G381 PolarHBondContact O-N 3.15Å; T379-G381 PolarHBondContact OG1-N 2.82Å; G381-N383 VanDerWaalsContact C-N 3.26Å; G381-N383 PolarHBondContact O-N 2.99Å; G381-N383 VanDerWaalsContact O-N 3.15Å; G381-V384 PolarHBondContact O-N 3.46Å; G381-V384 VanDerWaalsContact O-N 3.13Å; G381-S385 PolarHBondContact O-N 2.9Å; G381-S385 PolarHBondContact O-OG 3.16Å; G381-C439 VanDerWaalsContact CA-SG 3.53Å; G381-G440 VanDerWaalsContact CA-O 3.27Å; G381-G440 WeakPolarHBondContact CA-O 3.25Å
382	Q	98.4	Very high	98.2	Very high	20 Å²	20	15.7 Å²	15.7	9%	0.093	8%	0.082	C	C	.	.	H	α-helix	trans	-59.2	-35.4	-173.5	-60.6	108.3	-36.9	0	0	113.7	E333 N365 D386 L417	E333-Q382 HydrophobicContact CB-CG 4.24Å; N365-Q382 PolarHBondContact ND2-OE1 2.99Å; Q382-D386 VanDerWaalsContact O-CB 3.23Å; Q382-D386 WeakPolarHBondContact O-CB 3.45Å; Q382-D386 PolarHBondContact O-N 3.18Å; Q382-L417 HydrophobicContact CB-CD1 4.21Å; Q382-L417 HydrophobicContact CB-CD2 4.19Å
383	N	98.6	Very high	98.3	Very high	2 Å²	2	15.6 Å²	15.6	1%	0.011	8%	0.081	C	C	.	.	H	α-helix	trans	-63.1	-45.5	177.8	60.3	-39.6	0	0	0	112.6	T379 G381 D386 I387 I409 L417	T379-N383 WeakPolarHBondContact CB-OD1 3.45Å; T379-N383 PolarHBondContact OG1-OD1 2.87Å; G381-N383 VanDerWaalsContact C-N 3.26Å; G381-N383 PolarHBondContact O-N 2.99Å; G381-N383 VanDerWaalsContact O-N 3.15Å; N383-D386 PolarHBondContact O-N 3.29Å; N383-I387 WeakPolarHBondContact O-CD1 3.37Å; N383-I387 VanDerWaalsContact O-CG1 3.31Å; N383-I387 WeakPolarHBondContact O-CG1 3.32Å; N383-I387 PolarHBondContact O-N 3.01Å; N383-I387 VanDerWaalsContact O-N 3.1Å; N383-I409 PolarHBondContact ND2-O 3.31Å; N383-L417 HydrophobicContact CB-CD2 4.4Å
384	V	98.8	Very high	98.4	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-69.4	-44.5	179.1	170.4	0	0	0	0	110.3	G381 D386 I387 F388 H396 I399 L400 C439	G381-V384 PolarHBondContact O-N 3.46Å; G381-V384 VanDerWaalsContact O-N 3.13Å; V384-D386 VanDerWaalsContact C-N 3.27Å; V384-D386 PolarHBondContact O-N 3.21Å; V384-I387 PolarHBondContact O-N 3.28Å; V384-F388 WeakPolarHBondContact O-CB 3.48Å; V384-F388 PolarHBondContact O-N 2.88Å; V384-H396 HydrophobicContact CG1-CB 4.02Å; V384-I399 HydrophobicContact CB-CG2 4.21Å; V384-I399 HydrophobicContact CG1-CB 3.98Å; V384-I399 HydrophobicContact CG1-CG2 3.76Å; V384-I399 HydrophobicContact CG2-CG2 4.25Å; V384-L400 HydrophobicContact CG2-CB 4.46Å; V384-L400 HydrophobicContact CG2-CD1 4.09Å; V384-C439 HydrophobicContact CG2-CB 4.21Å; V384-C439 VanDerWaalsContact CG2-SG 3.56Å
385	S	98.1	Very high	98.4	Very high	37 Å²	37	24 Å²	24	26%	0.259	12%	0.118	S	C	.	.	H	α-helix	trans	-62.1	-34.3	176.4	-57.4	0	0	0	0	112.7	G381 R389	G381-S385 PolarHBondContact O-N 2.9Å; G381-S385 PolarHBondContact O-OG 3.16Å; S385-R389 WeakPolarHBondContact O-CG 3.46Å; S385-R389 PolarHBondContact O-N 3.31Å
386	D	98.3	Very high	98.4	Very high	13 Å²	13	24 Å²	24	7%	0.07	12%	0.12	C	C	.	.	H	α-helix	trans	-69.8	-46.7	175.8	-168.7	65.4	0	0	0	111.3	Q382 N383 V384 F388 R389 Y390 T412 T416 L417	Q382-D386 VanDerWaalsContact O-CB 3.23Å; Q382-D386 WeakPolarHBondContact O-CB 3.45Å; Q382-D386 PolarHBondContact O-N 3.18Å; N383-D386 PolarHBondContact O-N 3.29Å; V384-D386 VanDerWaalsContact C-N 3.27Å; V384-D386 PolarHBondContact O-N 3.21Å; D386-F388 VanDerWaalsContact C-N 3.28Å; D386-F388 PolarHBondContact O-N 3.25Å; D386-R389 WeakPolarHBondContact O-CB 3.48Å; D386-R389 PolarHBondContact O-N 3.44Å; D386-Y390 VanDerWaalsContact O-CD2 3.25Å; D386-Y390 WeakPolarHBondContact O-CD2 3.27Å; D386-Y390 PolarHBondContact O-N 3.42Å; D386-T412 WeakPolarHBondContact OD2-CB 3.48Å; D386-T412 PolarHBondContact OD2-OG1 3.06Å; D386-T416 PolarHBondContact OD2-OG1 2.72Å; D386-L417 HydrophobicContact CB-CB 4.27Å; D386-L417 HydrophobicContact CB-CD2 4.38Å
387	I	98.7	Very high	98.4	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-59.9	-39.5	175.2	-65.1	158.9	0	0	0	111.4	V189 N383 V384 R389 Y390 S391 M393 I399 W402 T403 P411 T412	V189-I387 HydrophobicContact CG1-CG2 4.29Å; N383-I387 WeakPolarHBondContact O-CD1 3.37Å; N383-I387 VanDerWaalsContact O-CG1 3.31Å; N383-I387 WeakPolarHBondContact O-CG1 3.32Å; N383-I387 PolarHBondContact O-N 3.01Å; N383-I387 VanDerWaalsContact O-N 3.1Å; V384-I387 PolarHBondContact O-N 3.28Å; I387-R389 VanDerWaalsContact C-N 3.26Å; I387-R389 PolarHBondContact O-N 2.95Å; I387-Y390 PolarHBondContact O-N 2.88Å; I387-Y390 VanDerWaalsContact O-N 3.16Å; I387-S391 VanDerWaalsContact O-CB 3.3Å; I387-S391 WeakPolarHBondContact O-CB 3.14Å; I387-S391 PolarHBondContact O-N 3.41Å; I387-S391 PolarHBondContact O-OG 2.96Å; I387-M393 HydrophobicContact CG2-CE 3.6Å; I387-I399 HydrophobicContact CB-CG2 3.74Å; I387-I399 HydrophobicContact CD1-CG2 3.99Å; I387-I399 HydrophobicContact CG2-CG2 3.62Å; I387-W402 HydrophobicContact CD1-CE3 4.13Å; I387-W402 HydrophobicContact CD1-CZ3 3.84Å; I387-W402 HydrophobicContact CG1-CZ3 4.22Å; I387-W402 HydrophobicContact CG2-CE3 4.13Å; I387-W402 HydrophobicContact CG2-CZ3 4.02Å; I387-T403 HydrophobicContact CD1-CG2 3.28Å; I387-P411 HydrophobicContact CD1-CG 4.34Å; I387-T412 HydrophobicContact CG1-CG2 3.98Å
388	F	98.5	Very high	98.4	Very high	42 Å²	42	27.7 Å²	27.7	18%	0.184	14%	0.137	C	C	.	.	H	α-helix	trans	-56.4	-40.7	175.1	176.2	-87.6	0	0	0	112	K160 V384 D386 Y390 M393 E394 H396 I399	K160-F388 VanDerWaalsContact CE-O 3.23Å; K160-F388 WeakPolarHBondContact CE-O 3.3Å; K160-F388 HydrophobicContact CG-CE1 4.16Å; V384-F388 WeakPolarHBondContact O-CB 3.48Å; V384-F388 PolarHBondContact O-N 2.88Å; D386-F388 VanDerWaalsContact C-N 3.28Å; D386-F388 PolarHBondContact O-N 3.25Å; F388-Y390 VanDerWaalsContact C-N 3.29Å; F388-Y390 PolarHBondContact O-N 2.91Å; F388-M393 WeakPolarHBondContact CD2-O 3.4Å; F388-E394 WeakPolarHBondContact CE2-OE2 3.31Å; F388-E394 WeakPolarHBondContact CZ-OE2 3.48Å; F388-H396 AromaticContact CD2-CE1 3.74Å; F388-H396 AromaticContact CE2-CE1 3.97Å; F388-I399 HydrophobicContact CB-CD1 3.7Å; F388-I399 HydrophobicContact CD2-CD1 4.03Å; F388-I399 HydrophobicContact CG-CD1 4.38Å
389	R	97.6	Very high	98.4	Very high	92 Å²	92	27.7 Å²	27.7	35%	0.347	14%	0.137	S	C	.	.	H	α-helix	trans	-66.5	-29.4	179.8	-69.2	166.8	-169.9	-112.1	8	112.8	K160 Y161 S385 D386 I387	K160-R389 CarbonylContact C-O 3.53Å; K160-R389 VanDerWaalsContact CA-O 3.29Å; K160-R389 WeakPolarHBondContact CA-O 3.35Å; Y161-R389 HydrophobicContact CD2-CB 4.15Å; Y161-R389 PolarHBondContact N-O 3.27Å; S385-R389 WeakPolarHBondContact O-CG 3.46Å; S385-R389 PolarHBondContact O-N 3.31Å; D386-R389 WeakPolarHBondContact O-CB 3.48Å; D386-R389 PolarHBondContact O-N 3.44Å; I387-R389 VanDerWaalsContact C-N 3.26Å; I387-R389 PolarHBondContact O-N 2.95Å
390	Y	97.9	Very high	98.4	Very high	16 Å²	16	27.6 Å²	27.6	6%	0.063	14%	0.136	C	C	.	.	H	α-helix	trans	-111.5	6.6	-173.7	-62.6	-74.6	0	0	0	114.5	K134 M136 Q139 Y161 I162 D386 I387 F388 T416	K134-Y390 PolarHBondContact NZ-O 3.03Å; M136-Y390 HydrophobicContact CE-CD1 3.47Å; M136-Y390 VanDerWaalsContact CE-CD1 3.47Å; M136-Y390 HydrophobicContact CE-CE1 3.92Å; M136-Y390 HydrophobicContact CE-CG 4.27Å; M136-Y390 HydrophobicContact SD-CD1 3.65Å; M136-Y390 HydrophobicContact SD-CE1 4.49Å; M136-Y390 HydrophobicContact SD-CG 4.42Å; Q139-Y390 HydrophobicContact CG-CE1 4.33Å; Y161-Y390 HydrophobicContact CD2-CD1 4.35Å; Y161-Y390 AromaticContact CD2-CE1 3.69Å; Y161-Y390 HydrophobicContact CD2-CE1 3.69Å; Y161-Y390 HydrophobicContact CD2-CE2 4.47Å; Y161-Y390 AromaticContact CD2-CZ 3.75Å; Y161-Y390 HydrophobicContact CG-CD1 4.44Å; Y161-Y390 AromaticContact CG-CE1 3.82Å; Y161-Y390 HydrophobicContact CG-CE1 3.82Å; I162-Y390 VanDerWaalsContact CG2-C 3.45Å; I162-Y390 WeakPolarHBondContact CG2-O 3.35Å; D386-Y390 VanDerWaalsContact O-CD2 3.25Å; D386-Y390 WeakPolarHBondContact O-CD2 3.27Å; D386-Y390 PolarHBondContact O-N 3.42Å; I387-Y390 PolarHBondContact O-N 2.88Å; I387-Y390 VanDerWaalsContact O-N 3.16Å; F388-Y390 VanDerWaalsContact C-N 3.29Å; F388-Y390 PolarHBondContact O-N 2.91Å; Y390-T416 HydrophobicContact CD1-CG2 4.4Å; Y390-T416 HydrophobicContact CD2-CG2 3.95Å; Y390-T416 HydrophobicContact CE1-CG2 3.9Å; Y390-T416 HydrophobicContact CE2-CG2 3.44Å; Y390-T416 VanDerWaalsContact CE2-CG2 3.44Å; Y390-T416 HydrophobicContact CG-CG2 4.42Å
391	S	98.3	Very high	98.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.144	C	C	.	.	S	Bend	trans	-129.5	163.4	177.3	70.1	0	0	0	0	113	K160 S186 K187 I387 M393	K160-S391 PolarHBondContact NZ-O 3.48Å; S186-S391 CarbonylContact O-C 3.43Å; S186-S391 VanDerWaalsContact O-CA 3.23Å; S186-S391 WeakPolarHBondContact O-CA 3.47Å; K187-S391 WeakPolarHBondContact O-CB 3.5Å; I387-S391 VanDerWaalsContact O-CB 3.3Å; I387-S391 WeakPolarHBondContact O-CB 3.14Å; I387-S391 PolarHBondContact O-N 3.41Å; I387-S391 PolarHBondContact O-OG 2.96Å; S391-M393 VanDerWaalsContact C-N 3.25Å; S391-M393 WeakPolarHBondContact OG-CE 3.39Å; S391-M393 PolarHBondContact OG-N 3.18Å
392	S	98	Very high	98.4	Very high	42 Å²	42	30 Å²	30	29%	0.294	15%	0.147	S	C	.	.	S	Bend	trans	-78.1	-6.2	171.7	54.1	0	0	0	0	113.7	S186 K187	S186-S392 VanDerWaalsContact C-OG 3.24Å; S186-S392 PolarHBondContact O-N 2.64Å; S186-S392 PolarHBondContact O-OG 2.93Å; S186-S392 WeakPolarHBondContact OG-CB 3.46Å; S186-S392 PolarHBondContact OG-OG 3.1Å; K187-S392 PolarHBondContact N-OG 2.8Å
393	M	98.3	Very high	98.5	Very high	6 Å²	6	29 Å²	29	3%	0.03	14%	0.142	C	C	.	.			trans	-67.8	133.3	178.9	-64.7	178.1	-74.8	0	0	110.4	K160 K187 I387 F388 S391 E398 I399 W402	K160-M393 PolarHBondContact NZ-O 3.49Å; K187-M393 HydrophobicContact CG-CE 4.45Å; K187-M393 HydrophobicContact CG-CG 4.04Å; K187-M393 HydrophobicContact CG-SD 4.09Å; I387-M393 HydrophobicContact CG2-CE 3.6Å; F388-M393 WeakPolarHBondContact CD2-O 3.4Å; S391-M393 VanDerWaalsContact C-N 3.25Å; S391-M393 WeakPolarHBondContact OG-CE 3.39Å; S391-M393 PolarHBondContact OG-N 3.18Å; M393-E398 HydrophobicContact SD-CG 4.47Å; M393-I399 HydrophobicContact CB-CD1 3.93Å; M393-I399 HydrophobicContact CB-CG1 3.52Å; M393-I399 HydrophobicContact CE-CG1 4.11Å; M393-I399 HydrophobicContact CG-CG1 4.38Å; M393-I399 HydrophobicContact SD-CG1 4.07Å; M393-W402 HydrophobicContact CE-CD2 3.95Å; M393-W402 HydrophobicContact CE-CE3 4.09Å; M393-W402 HydrophobicContact CE-CG 4.16Å; M393-W402 HydrophobicContact SD-CB 4.14Å; M393-W402 HydrophobicContact SD-CD2 4.49Å; M393-W402 HydrophobicContact SD-CG 4.07Å
394	E	97.9	Very high	98.5	Very high	117 Å²	117	29 Å²	29	55%	0.547	14%	0.142	S	C	.	.			trans	-106.5	-41.5	-179.2	-60.4	-57.7	155.3	0	0	112.2	K160 F388 H396	K160-E394 WeakPolarHBondContact CE-OE1 3.45Å; K160-E394 WeakPolarHBondContact CE-OE2 3.43Å; K160-E394 IonicContact NZ-OE1 3.44Å; K160-E394 PolarHBondContact NZ-OE1 2.88Å; K160-E394 IonicContact NZ-OE2 2.72Å; K160-E394 PolarHBondContact NZ-OE2 3.39Å; F388-E394 WeakPolarHBondContact CE2-OE2 3.31Å; F388-E394 WeakPolarHBondContact CZ-OE2 3.48Å; E394-H396 PolarHBondContact O-N 3.3Å; E394-H396 PolarHBondContact O-ND1 3.41Å
395	D	98.3	Very high	98.4	Very high	78 Å²	78	31.7 Å²	31.7	42%	0.417	15%	0.152	S	C	.	.			trans	-73.4	119.2	179.5	177	33.2	0	0	0	110.7	L397 E398 I399	D395-L397 PolarHBondContact O-N 2.75Å; D395-L397 PolarHBondContact OD1-N 2.91Å; D395-L397 VanDerWaalsContact OD1-N 3.16Å; D395-L397 WeakPolarHBondContact OD2-CB 3.18Å; D395-E398 HydrophobicContact CB-CB 3.96Å; D395-E398 WeakPolarHBondContact O-CB 3.42Å; D395-E398 PolarHBondContact O-N 3.42Å; D395-E398 VanDerWaalsContact O-N 3.16Å; D395-E398 PolarHBondContact OD2-N 3.24Å; D395-I399 WeakPolarHBondContact O-CG1 3.41Å; D395-I399 PolarHBondContact O-N 3.29Å
396	H	98.6	Very high	98.5	Very high	27 Å²	27	30.1 Å²	30.1	13%	0.125	14%	0.141	C	C	.	.	H	α-helix	trans	-66.3	-27.2	179.9	-71.2	55.3	0	0	0	111.5	V384 F388 E394 I399 L400 T442 T462	V384-H396 HydrophobicContact CG1-CB 4.02Å; F388-H396 AromaticContact CD2-CE1 3.74Å; F388-H396 AromaticContact CE2-CE1 3.97Å; E394-H396 PolarHBondContact O-N 3.3Å; E394-H396 PolarHBondContact O-ND1 3.41Å; H396-I399 PolarHBondContact O-N 3.26Å; H396-L400 WeakPolarHBondContact O-CB 3.49Å; H396-L400 PolarHBondContact O-N 3.31Å; H396-T442 HydrophobicContact CB-CG2 4.13Å; H396-T462 HydrophobicContact CB-CG2 4.24Å
397	L	98.8	Very high	98.5	Very high	15 Å²	15	30.3 Å²	30.3	8%	0.079	14%	0.141	C	C	.	.	H	α-helix	trans	-73.2	-35	175.6	-174.6	65.9	0	0	0	111.4	D395 L400 E401 K448 L460 T462	D395-L397 PolarHBondContact O-N 2.75Å; D395-L397 PolarHBondContact OD1-N 2.91Å; D395-L397 VanDerWaalsContact OD1-N 3.16Å; D395-L397 WeakPolarHBondContact OD2-CB 3.18Å; L397-L400 PolarHBondContact O-N 3.14Å; L397-E401 PolarHBondContact O-N 3.49Å; L397-K448 HydrophobicContact CD2-CB 3.83Å; L397-K448 HydrophobicContact CG-CB 4.42Å; L397-L460 HydrophobicContact CD1-CB 3.66Å; L397-T462 HydrophobicContact CB-CG2 4.03Å; L397-T462 HydrophobicContact CD1-CG2 4.04Å
398	E	98.7	Very high	98.5	Very high	69 Å²	69	30.6 Å²	30.6	32%	0.322	14%	0.142	S	C	.	.	H	α-helix	trans	-62.3	-46.8	168.1	-174.8	-175.9	-177	0	0	111.3	K187 M393 D395 L400 E401 W402	K187-E398 IonicContact NZ-OE1 2.92Å; K187-E398 PolarHBondContact NZ-OE1 3.01Å; M393-E398 HydrophobicContact SD-CG 4.47Å; D395-E398 HydrophobicContact CB-CB 3.96Å; D395-E398 WeakPolarHBondContact O-CB 3.42Å; D395-E398 PolarHBondContact O-N 3.42Å; D395-E398 VanDerWaalsContact O-N 3.16Å; D395-E398 PolarHBondContact OD2-N 3.24Å; E398-L400 VanDerWaalsContact C-N 3.29Å; E398-L400 PolarHBondContact O-N 2.92Å; E398-E401 PolarHBondContact O-N 3.31Å; E398-W402 WeakPolarHBondContact O-CB 3.19Å; E398-W402 PolarHBondContact O-N 2.98Å
399	I	98.9	Very high	98.5	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-61.4	-41	178.2	-63.7	171.3	0	0	0	110.7	V384 I387 F388 M393 D395 H396 W402 T403	V384-I399 HydrophobicContact CB-CG2 4.21Å; V384-I399 HydrophobicContact CG1-CB 3.98Å; V384-I399 HydrophobicContact CG1-CG2 3.76Å; V384-I399 HydrophobicContact CG2-CG2 4.25Å; I387-I399 HydrophobicContact CB-CG2 3.74Å; I387-I399 HydrophobicContact CD1-CG2 3.99Å; I387-I399 HydrophobicContact CG2-CG2 3.62Å; F388-I399 HydrophobicContact CB-CD1 3.7Å; F388-I399 HydrophobicContact CD2-CD1 4.03Å; F388-I399 HydrophobicContact CG-CD1 4.38Å; M393-I399 HydrophobicContact CB-CD1 3.93Å; M393-I399 HydrophobicContact CB-CG1 3.52Å; M393-I399 HydrophobicContact CE-CG1 4.11Å; M393-I399 HydrophobicContact CG-CG1 4.38Å; M393-I399 HydrophobicContact SD-CG1 4.07Å; D395-I399 WeakPolarHBondContact O-CG1 3.41Å; D395-I399 PolarHBondContact O-N 3.29Å; H396-I399 PolarHBondContact O-N 3.26Å; I399-W402 WeakPolarHBondContact O-CB 3.43Å; I399-W402 PolarHBondContact O-N 3.22Å; I399-W402 VanDerWaalsContact O-N 3.15Å; I399-T403 PolarHBondContact O-N 2.96Å
400	L	98.9	Very high	98.5	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-64.9	-39.3	176.5	-172.9	63.4	0	0	0	112.5	V384 H396 L397 E398 W402 T403 L404 Y437 C439 L460 T462	V384-L400 HydrophobicContact CG2-CB 4.46Å; V384-L400 HydrophobicContact CG2-CD1 4.09Å; H396-L400 WeakPolarHBondContact O-CB 3.49Å; H396-L400 PolarHBondContact O-N 3.31Å; L397-L400 PolarHBondContact O-N 3.14Å; E398-L400 VanDerWaalsContact C-N 3.29Å; E398-L400 PolarHBondContact O-N 2.92Å; L400-W402 VanDerWaalsContact C-N 3.32Å; L400-T403 PolarHBondContact O-OG1 3.41Å; L400-L404 PolarHBondContact O-N 3.07Å; L400-Y437 HydrophobicContact CD1-CD1 3.66Å; L400-Y437 HydrophobicContact CD1-CE1 3.22Å; L400-Y437 HydrophobicContact CD1-CE2 4.16Å; L400-Y437 HydrophobicContact CD1-CG 4.32Å; L400-Y437 VanDerWaalsContact CD1-CZ 3.49Å; L400-Y437 HydrophobicContact CG-CD1 3.87Å; L400-Y437 HydrophobicContact CG-CE1 3.84Å; L400-Y437 WeakPolarHBondContact O-CE1 3.37Å; L400-C439 HydrophobicContact CD1-CB 3.86Å; L400-C439 HydrophobicContact CD2-CB 3.95Å; L400-C439 HydrophobicContact CG-CB 4.45Å; L400-L460 HydrophobicContact CD2-CB 4.37Å; L400-T462 HydrophobicContact CD2-CG2 4.11Å
401	E	98.9	Very high	98.6	Very high	38 Å²	38	23.6 Å²	23.6	18%	0.178	11%	0.114	C	C	.	.	H	α-helix	trans	-63.1	-43.9	169.9	178.5	167.7	-172.3	0	0	110.5	L397 E398 T403 L404 R405 K448 I450 L460	L397-E401 PolarHBondContact O-N 3.49Å; E398-E401 PolarHBondContact O-N 3.31Å; E401-T403 PolarHBondContact O-N 3.1Å; E401-L404 CarbonylContact O-C 3.54Å; E401-L404 WeakPolarHBondContact O-CA 3.25Å; E401-L404 WeakPolarHBondContact O-CB 3.41Å; E401-L404 PolarHBondContact O-N 3.34Å; E401-R405 HydrophobicContact CG-CG 4.01Å; E401-R405 WeakPolarHBondContact O-CG 3.16Å; E401-R405 PolarHBondContact O-N 3.15Å; E401-R405 IonicContact OE1-CZ 3.96Å; E401-R405 IonicContact OE1-NE 2.74Å; E401-R405 PolarHBondContact OE1-NE 3.2Å; E401-R405 IonicContact OE1-NH2 3.68Å; E401-R405 PolarHBondContact OE1-NH2 2.91Å; E401-K448 VanDerWaalsContact OE2-CE 3.28Å; E401-K448 WeakPolarHBondContact OE2-CE 3.17Å; E401-K448 IonicContact OE2-NZ 2.72Å; E401-K448 PolarHBondContact OE2-NZ 2.85Å; E401-I450 HydrophobicContact CG-CD1 4.11Å; E401-I450 HydrophobicContact CG-CG2 4.42Å; E401-L460 HydrophobicContact CB-CD1 3.57Å; E401-L460 HydrophobicContact CG-CD1 4.2Å
402	W	98.8	Very high	98.6	Very high	16 Å²	16	23.7 Å²	23.7	6%	0.061	12%	0.115	C	C	.	.	H	α-helix	trans	-60.7	-43.3	-176.7	-179	81.1	0	0	0	112.1	V189 T192 I387 M393 E398 I399 L400 L404 R405 V406 P411	V189-W402 HydrophobicContact CG2-CH2 3.4Å; V189-W402 HydrophobicContact CG2-CZ2 4.35Å; V189-W402 HydrophobicContact CG2-CZ3 3.84Å; T192-W402 HydrophobicContact CG2-CH2 4.47Å; T192-W402 HydrophobicContact CG2-CZ2 4.17Å; T192-W402 WeakPolarHBondContact OG1-CH2 3.23Å; I387-W402 HydrophobicContact CD1-CE3 4.13Å; I387-W402 HydrophobicContact CD1-CZ3 3.84Å; I387-W402 HydrophobicContact CG1-CZ3 4.22Å; I387-W402 HydrophobicContact CG2-CE3 4.13Å; I387-W402 HydrophobicContact CG2-CZ3 4.02Å; M393-W402 HydrophobicContact CE-CD2 3.95Å; M393-W402 HydrophobicContact CE-CE3 4.09Å; M393-W402 HydrophobicContact CE-CG 4.16Å; M393-W402 HydrophobicContact SD-CB 4.14Å; M393-W402 HydrophobicContact SD-CD2 4.49Å; M393-W402 HydrophobicContact SD-CG 4.07Å; E398-W402 WeakPolarHBondContact O-CB 3.19Å; E398-W402 PolarHBondContact O-N 2.98Å; I399-W402 WeakPolarHBondContact O-CB 3.43Å; I399-W402 PolarHBondContact O-N 3.22Å; I399-W402 VanDerWaalsContact O-N 3.15Å; L400-W402 VanDerWaalsContact C-N 3.32Å; W402-L404 PolarHBondContact O-N 2.94Å; W402-R405 PolarHBondContact O-N 3.48Å; W402-R405 VanDerWaalsContact O-N 3.11Å; W402-V406 HydrophobicContact CD2-CG1 4.11Å; W402-V406 HydrophobicContact CH2-CG1 4.19Å; W402-V406 HydrophobicContact CH2-CG2 4.35Å; W402-V406 HydrophobicContact CZ2-CG1 3.63Å; W402-V406 HydrophobicContact CZ3-CG2 4.35Å; W402-V406 WeakPolarHBondContact O-CG2 3.26Å; W402-V406 PolarHBondContact O-N 2.96Å; W402-P411 HydrophobicContact CH2-CG 3.83Å; W402-P411 HydrophobicContact CZ3-CG 3.64Å
403	T	98.9	Very high	98.5	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-58.8	-37.1	174.6	58.3	0	0	0	0	112.1	I387 I399 L400 E401 V406 R407 H408 Y437	I387-T403 HydrophobicContact CD1-CG2 3.28Å; I399-T403 PolarHBondContact O-N 2.96Å; L400-T403 PolarHBondContact O-OG1 3.41Å; E401-T403 PolarHBondContact O-N 3.1Å; T403-V406 WeakPolarHBondContact O-CG2 3.37Å; T403-R407 PolarHBondContact O-N 2.87Å; T403-H408 WeakPolarHBondContact CB-O 3.1Å; T403-H408 CarbonylContact O-C 3.59Å; T403-H408 PolarHBondContact O-N 2.94Å; T403-Y437 WeakPolarHBondContact OG1-CE1 3.45Å; T403-Y437 PolarHBondContact OG1-OH 3.24Å
404	L	98.6	Very high	98.4	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.01	10%	0.104	C	C	.	.	H	α-helix	trans	-70.9	-37.8	177.3	-163.6	66	0	0	0	111.9	L216 L400 E401 W402 R407 F430 P434 Y437 I450 V458 L460	L216-L404 HydrophobicContact CD2-CB 4.39Å; L216-L404 HydrophobicContact CD2-CD2 3.85Å; L216-L404 HydrophobicContact CD2-CG 3.56Å; L400-L404 PolarHBondContact O-N 3.07Å; E401-L404 CarbonylContact O-C 3.54Å; E401-L404 WeakPolarHBondContact O-CA 3.25Å; E401-L404 WeakPolarHBondContact O-CB 3.41Å; E401-L404 PolarHBondContact O-N 3.34Å; W402-L404 PolarHBondContact O-N 2.94Å; L404-R407 PolarHBondContact O-N 3.08Å; L404-F430 HydrophobicContact CD1-CD1 4.18Å; L404-F430 HydrophobicContact CD1-CD2 4.39Å; L404-F430 HydrophobicContact CD1-CE1 3.76Å; L404-F430 HydrophobicContact CD1-CE2 4.01Å; L404-F430 HydrophobicContact CD1-CG 4.47Å; L404-F430 HydrophobicContact CD1-CZ 3.67Å; L404-P434 HydrophobicContact CD1-CG 4.33Å; L404-Y437 HydrophobicContact CB-CD1 4.12Å; L404-Y437 HydrophobicContact CB-CE1 4.13Å; L404-Y437 HydrophobicContact CD1-CD1 4.04Å; L404-Y437 HydrophobicContact CD1-CE1 4.35Å; L404-Y437 HydrophobicContact CD2-CD1 4.2Å; L404-Y437 HydrophobicContact CG-CD1 4.34Å; L404-I450 HydrophobicContact CD2-CD1 3.8Å; L404-V458 HydrophobicContact CD2-CB 4.23Å; L404-V458 HydrophobicContact CD2-CG1 3.88Å; L404-V458 HydrophobicContact CD2-CG2 4.2Å; L404-L460 HydrophobicContact CD2-CD2 3.88Å
405	R	98.5	Very high	98.3	Very high	56 Å²	56	19.6 Å²	19.6	21%	0.211	9%	0.094	C	C	.	.	H	α-helix	trans	-69.9	-35.1	175.6	-65.2	-62.6	-178.4	-177	-0.1	113.5	F213 D215 E401 W402 R407 R451	F213-R405 WeakPolarHBondContact CB-O 3.35Å; D215-R405 WeakPolarHBondContact CA-O 3.32Å; D215-R405 PolarHBondContact N-O 2.93Å; D215-R405 WeakPolarHBondContact OD1-CD 3.3Å; D215-R405 IonicContact OD1-CZ 2.71Å; D215-R405 IonicContact OD1-NH1 3.75Å; D215-R405 PolarHBondContact OD1-NH1 2.86Å; D215-R405 IonicContact OD2-NH1 3.76Å; E401-R405 HydrophobicContact CG-CG 4.01Å; E401-R405 WeakPolarHBondContact O-CG 3.16Å; E401-R405 PolarHBondContact O-N 3.15Å; E401-R405 IonicContact OE1-CZ 3.96Å; E401-R405 IonicContact OE1-NE 2.74Å; E401-R405 PolarHBondContact OE1-NE 3.2Å; E401-R405 IonicContact OE1-NH2 3.68Å; E401-R405 PolarHBondContact OE1-NH2 2.91Å; W402-R405 PolarHBondContact O-N 3.48Å; W402-R405 VanDerWaalsContact O-N 3.11Å; R405-R407 PolarHBondContact O-N 3.27Å; R405-R451 PolarHBondContact NH1-O 3.29Å; R405-R451 PolarHBondContact NH2-O 2.8Å; R405-R451 VanDerWaalsContact NH2-O 3.09Å
406	V	98.5	Very high	98	Very high	3 Å²	3	17.2 Å²	17.2	2%	0.018	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	2.3	173.1	-55	0	0	0	0	112.7	M96 T192 F213 W402 T403 H408 P411	M96-V406 WeakPolarHBondContact CE-O 3.27Å; T192-V406 HydrophobicContact CG2-CB 4.35Å; T192-V406 HydrophobicContact CG2-CG1 4.03Å; F213-V406 HydrophobicContact CD1-CG1 3.79Å; F213-V406 HydrophobicContact CD2-CG1 4.44Å; F213-V406 HydrophobicContact CE1-CG1 3.99Å; F213-V406 HydrophobicContact CG-CG1 4.03Å; F213-V406 HydrophobicContact CZ-CG1 4.39Å; W402-V406 HydrophobicContact CD2-CG1 4.11Å; W402-V406 HydrophobicContact CH2-CG1 4.19Å; W402-V406 HydrophobicContact CH2-CG2 4.35Å; W402-V406 HydrophobicContact CZ2-CG1 3.63Å; W402-V406 HydrophobicContact CZ3-CG2 4.35Å; W402-V406 WeakPolarHBondContact O-CG2 3.26Å; W402-V406 PolarHBondContact O-N 2.96Å; T403-V406 WeakPolarHBondContact O-CG2 3.37Å; V406-H408 HydrophobicContact CG2-CB 4.24Å; V406-H408 PolarHBondContact O-N 2.77Å; V406-P411 HydrophobicContact CG2-CG 4.41Å
407	R	98.7	Very high	97.9	Very high	18 Å²	18	16.7 Å²	16.7	7%	0.068	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	37	-179.8	-156.7	178.2	174.9	162.5	-2.9	113	M96 A214 D215 T403 L404 R405 F430	M96-R407 HydrophobicContact CE-CB 4.13Å; A214-R407 HydrophobicContact CB-CB 3.83Å; D215-R407 WeakPolarHBondContact O-CB 3.3Å; T403-R407 PolarHBondContact O-N 2.87Å; L404-R407 PolarHBondContact O-N 3.08Å; R405-R407 PolarHBondContact O-N 3.27Å; R407-F430 HydrophobicContact CG-CB 4.07Å; R407-F430 HydrophobicContact CG-CD2 4.31Å; R407-F430 PolarHBondContact NE-O 3.45Å; R407-F430 VanDerWaalsContact NE-O 3.11Å; R407-F430 PolarHBondContact O-N 3.06Å
408	H	98.8	Very high	97.7	Very high	5 Å²	5	16.8 Å²	16.8	2%	0.023	9%	0.086	C	C	.	.	B	Isolated β-bridge	trans	-148	125.3	179.3	-162.5	-77.5	0	0	0	112.1	R92 T403 V406 S410 P411 D426 F428	R92-H408 PolarHBondContact NE-NE2 2.8Å; R92-H408 PolarHBondContact NH2-CE1 3.47Å; R92-H408 PolarHBondContact NH2-NE2 3.17Å; T403-H408 WeakPolarHBondContact CB-O 3.1Å; T403-H408 CarbonylContact O-C 3.59Å; T403-H408 PolarHBondContact O-N 2.94Å; V406-H408 HydrophobicContact CG2-CB 4.24Å; V406-H408 PolarHBondContact O-N 2.77Å; H408-S410 VanDerWaalsContact C-N 3.34Å; H408-S410 VanDerWaalsContact CE1-C 3.4Å; H408-S410 PolarHBondContact CE1-O 2.88Å; H408-S410 PolarHBondContact ND1-N 3.27Å; H408-S410 VanDerWaalsContact ND1-N 3.16Å; H408-S410 PolarHBondContact ND1-O 3.07Å; H408-S410 PolarHBondContact O-N 3.45Å; H408-P411 VanDerWaalsContact ND1-CA 3.33Å; H408-P411 WeakPolarHBondContact ND1-CA 3.38Å; H408-D426 IonicContact NE2-OD1 3.12Å; H408-D426 IonicContact NE2-OD2 2.74Å; H408-D426 PolarHBondContact NE2-OD2 3.3Å; H408-F428 CarbonylContact C-O 3.58Å; H408-F428 WeakPolarHBondContact CA-O 3.47Å; H408-F428 WeakPolarHBondContact CE1-CB 3.06Å
409	I	98.8	Very high	97.6	Very high	3 Å²	3	13.5 Å²	13.5	2%	0.015	7%	0.07	C	C	.	.	S	Bend	trans	-60.8	-41.4	-176.3	-63.1	169.5	0	0	0	111.6	F74 P366 L377 T379 N383 F428 F430	F74-I409 HydrophobicContact CE1-CD1 4.43Å; F74-I409 HydrophobicContact CZ-CD1 4Å; P366-I409 HydrophobicContact CG-CG2 4.35Å; L377-I409 HydrophobicContact CD1-CD1 4.19Å; L377-I409 HydrophobicContact CD2-CD1 4.02Å; L377-I409 HydrophobicContact CD2-CG1 4.3Å; T379-I409 HydrophobicContact CG2-CG2 3.71Å; N383-I409 PolarHBondContact ND2-O 3.31Å; I409-F428 HydrophobicContact CB-CB 4.18Å; I409-F428 WeakPolarHBondContact CG1-O 3.41Å; I409-F428 PolarHBondContact N-O 3.25Å; I409-F430 HydrophobicContact CB-CZ 4.41Å; I409-F430 HydrophobicContact CD1-CE1 4.39Å; I409-F430 HydrophobicContact CG1-CD1 4.4Å; I409-F430 HydrophobicContact CG1-CE1 3.73Å; I409-F430 HydrophobicContact CG1-CE2 3.96Å; I409-F430 HydrophobicContact CG1-CZ 3.47Å; I409-F430 VanDerWaalsContact CG1-CZ 3.47Å
410	S	98.5	Very high	97.5	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.073	C	C	.	.			trans	-145.9	74.3	-175.6	-166.5	0	0	0	0	112.2	H408 T412 A413 L417	H408-S410 VanDerWaalsContact C-N 3.34Å; H408-S410 VanDerWaalsContact CE1-C 3.4Å; H408-S410 PolarHBondContact CE1-O 2.88Å; H408-S410 PolarHBondContact ND1-N 3.27Å; H408-S410 VanDerWaalsContact ND1-N 3.16Å; H408-S410 PolarHBondContact ND1-O 3.07Å; H408-S410 PolarHBondContact O-N 3.45Å; S410-T412 PolarHBondContact O-N 2.83Å; S410-A413 WeakPolarHBondContact O-CB 3.47Å; S410-A413 PolarHBondContact O-N 3.27Å; S410-A413 VanDerWaalsContact O-N 3.11Å; S410-L417 WeakPolarHBondContact OG-CD2 3.47Å
411	P	98.3	Very high	97.3	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.006	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-30.3	-173.6	22.6	-33.2	0	0	0	113.2	R92 V189 T190 G191 I387 W402 V406 H408 A413	R92-P411 PolarHBondContact NH1-O 3.06Å; V189-P411 HydrophobicContact CG2-CG 4.34Å; T190-P411 CarbonylContact O-C 3.51Å; G191-P411 WeakPolarHBondContact CA-O 3.32Å; I387-P411 HydrophobicContact CD1-CG 4.34Å; W402-P411 HydrophobicContact CH2-CG 3.83Å; W402-P411 HydrophobicContact CZ3-CG 3.64Å; V406-P411 HydrophobicContact CG2-CG 4.41Å; H408-P411 VanDerWaalsContact ND1-CA 3.33Å; H408-P411 WeakPolarHBondContact ND1-CA 3.38Å; P411-A413 PolarHBondContact O-N 2.69Å
412	T	98.1	Very high	97.1	Very high	1 Å²	1	13.7 Å²	13.7	1%	0.006	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-9	179.3	58.7	0	0	0	0	114.6	V189 D386 I387 S410 D415 T416	V189-T412 HydrophobicContact CB-CG2 3.94Å; V189-T412 HydrophobicContact CG2-CG2 3.64Å; D386-T412 WeakPolarHBondContact OD2-CB 3.48Å; D386-T412 PolarHBondContact OD2-OG1 3.06Å; I387-T412 HydrophobicContact CG1-CG2 3.98Å; S410-T412 PolarHBondContact O-N 2.83Å; T412-D415 PolarHBondContact O-N 3.21Å; T412-T416 WeakPolarHBondContact CB-OG1 3.42Å; T412-T416 PolarHBondContact O-N 3.15Å; T412-T416 VanDerWaalsContact O-N 3.15Å
413	A	97.2	Very high	96.7	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	133.7	174.2	0	0	0	0	0	111	R92 S410 P411 L417 C419 F428	R92-A413 PolarHBondContact NH1-O 2.87Å; R92-A413 PolarHBondContact NH2-O 3.24Å; S410-A413 WeakPolarHBondContact O-CB 3.47Å; S410-A413 PolarHBondContact O-N 3.27Å; S410-A413 VanDerWaalsContact O-N 3.11Å; P411-A413 PolarHBondContact O-N 2.69Å; A413-L417 VanDerWaalsContact CA-O 3.28Å; A413-L417 WeakPolarHBondContact CA-O 3.32Å; A413-L417 WeakPolarHBondContact CB-O 3.35Å; A413-C419 HydrophobicContact CB-CB 4Å; A413-F428 HydrophobicContact CB-CE2 4.37Å
414	P	96.1	Very high	96.4	Very high	15 Å²	15	24.3 Å²	24.3	10%	0.097	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	cis	-90.9	-1.4	6	33.7	-37.9	0	0	0	117.2	Y85 I88 Y89 L417	Y85-P414 HydrophobicContact CD1-CB 3.64Å; Y85-P414 HydrophobicContact CD1-CG 3.6Å; Y85-P414 HydrophobicContact CD2-CB 4.47Å; Y85-P414 HydrophobicContact CD2-CG 4.46Å; Y85-P414 HydrophobicContact CE1-CB 3.72Å; Y85-P414 HydrophobicContact CE1-CG 4.22Å; Y85-P414 HydrophobicContact CG-CB 4.05Å; Y85-P414 HydrophobicContact CG-CG 3.75Å; I88-P414 HydrophobicContact CG2-CG 3.98Å; Y89-P414 HydrophobicContact CE2-CG 3.98Å; Y89-P414 WeakPolarHBondContact OH-CD 3.45Å; P414-L417 CarbonylContact C-O 3.59Å; P414-L417 WeakPolarHBondContact CA-O 3.49Å
415	D	94.9	Very high	96.3	Very high	64 Å²	64	28 Å²	28	34%	0.342	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-54	-166.4	-168.7	53.6	0	0	0	113.7	Q139 T190 T412	Q139-D415 PolarHBondContact NE2-OD2 3.42Å; T190-D415 HydrophobicContact CG2-CB 4Å; T412-D415 PolarHBondContact O-N 3.21Å
416	T	93.7	Very high	96.2	Very high	29 Å²	29	25.6 Å²	25.6	18%	0.178	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	-33.7	-178.6	52.2	0	0	0	0	112.3	D386 Y390 T412	D386-T416 PolarHBondContact OD2-OG1 2.72Å; Y390-T416 HydrophobicContact CD1-CG2 4.4Å; Y390-T416 HydrophobicContact CD2-CG2 3.95Å; Y390-T416 HydrophobicContact CE1-CG2 3.9Å; Y390-T416 HydrophobicContact CE2-CG2 3.44Å; Y390-T416 VanDerWaalsContact CE2-CG2 3.44Å; Y390-T416 HydrophobicContact CG-CG2 4.42Å; T412-T416 WeakPolarHBondContact CB-OG1 3.42Å; T412-T416 PolarHBondContact O-N 3.15Å; T412-T416 VanDerWaalsContact O-N 3.15Å
417	L	95.1	Very high	96.2	Very high	15 Å²	15	26.3 Å²	26.3	8%	0.079	13%	0.134	C	C	.	.	S	Bend	trans	-103.4	111.9	171.2	-170.2	60.6	0	0	0	110.7	L341 Q382 N383 D386 S410 A413 P414 C419	L341-L417 HydrophobicContact CD1-CD2 3.49Å; L341-L417 VanDerWaalsContact CD1-CD2 3.49Å; L341-L417 HydrophobicContact CD1-CG 4.13Å; L341-L417 HydrophobicContact CG-CD2 4.41Å; Q382-L417 HydrophobicContact CB-CD1 4.21Å; Q382-L417 HydrophobicContact CB-CD2 4.19Å; N383-L417 HydrophobicContact CB-CD2 4.4Å; D386-L417 HydrophobicContact CB-CB 4.27Å; D386-L417 HydrophobicContact CB-CD2 4.38Å; S410-L417 WeakPolarHBondContact OG-CD2 3.47Å; A413-L417 VanDerWaalsContact CA-O 3.28Å; A413-L417 WeakPolarHBondContact CA-O 3.32Å; A413-L417 WeakPolarHBondContact CB-O 3.35Å; P414-L417 CarbonylContact C-O 3.59Å; P414-L417 WeakPolarHBondContact CA-O 3.49Å; L417-C419 PolarHBondContact O-N 3.34Å
418	G	95.2	Very high	96.2	Very high	18 Å²	18	25.4 Å²	25.4	19%	0.186	13%	0.131	C	C	.	.			trans	-60.2	133	-176.9	0	0	0	0	0	113.1	T340 L341	T340-G418 WeakPolarHBondContact CA-O 3.47Å; L341-G418 PolarHBondContact N-O 3.15Å
419	C	96.4	Very high	96.2	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.134	C	C	.	.	B	Isolated β-bridge	trans	-134.3	167.5	174.3	79.1	0	0	0	0	112.5	Y85 L341 A413 L417 F428	Y85-C419 WeakPolarHBondContact CE1-O 3.25Å; Y85-C419 PolarHBondContact OH-O 2.96Å; L341-C419 HydrophobicContact CB-CB 4.22Å; L341-C419 CarbonylContact O-C 3.56Å; L341-C419 WeakPolarHBondContact O-CA 3.45Å; L341-C419 VanDerWaalsContact O-CB 3.28Å; L341-C419 WeakPolarHBondContact O-CB 3.24Å; A413-C419 HydrophobicContact CB-CB 4Å; L417-C419 PolarHBondContact O-N 3.34Å; C419-F428 HydrophobicContact CB-CE2 4Å; C419-F428 HydrophobicContact CB-CZ 4.44Å
420	Y	96.2	Very high	96.2	Very high	14 Å²	14	26 Å²	26	6%	0.055	13%	0.134	C	C	.	.			trans	-65.3	138.5	172	-179.8	-104.8	0	0	0	110.4	L76 R79 S80 F81 L341 F422	L76-Y420 HydrophobicContact CD1-CD1 4.12Å; L76-Y420 HydrophobicContact CD1-CD2 3.96Å; L76-Y420 HydrophobicContact CD1-CG 3.73Å; L76-Y420 HydrophobicContact CD2-CD1 3.98Å; L76-Y420 HydrophobicContact CD2-CE1 4.19Å; L76-Y420 HydrophobicContact CD2-CG 4.44Å; R79-Y420 HydrophobicContact CB-CE2 4.36Å; S80-Y420 PolarHBondContact N-OH 3.27Å; S80-Y420 PolarHBondContact O-OH 3.4Å; F81-Y420 HydrophobicContact CD1-CD2 4.45Å; F81-Y420 AromaticContact CE1-CD2 3.93Å; F81-Y420 HydrophobicContact CE1-CD2 3.93Å; F81-Y420 HydrophobicContact CE1-CE2 4.34Å; F81-Y420 HydrophobicContact CZ-CD2 4.2Å; F81-Y420 HydrophobicContact CZ-CE2 4.4Å; L341-Y420 PolarHBondContact O-N 2.71Å; Y420-F422 VanDerWaalsContact C-N 3.29Å; Y420-F422 AromaticContact CD1-CD1 3.78Å; Y420-F422 HydrophobicContact CD1-CD1 3.78Å; Y420-F422 HydrophobicContact CD1-CD2 4.16Å; Y420-F422 AromaticContact CD1-CE1 3.67Å; Y420-F422 HydrophobicContact CD1-CE1 3.67Å; Y420-F422 HydrophobicContact CD1-CE2 4.05Å; Y420-F422 HydrophobicContact CD1-CG 4.02Å; Y420-F422 AromaticContact CD1-CZ 3.8Å; Y420-F422 HydrophobicContact CD1-CZ 3.8Å; Y420-F422 HydrophobicContact CE1-CD1 4.24Å; Y420-F422 HydrophobicContact CE1-CE1 4.28Å; Y420-F422 HydrophobicContact CG-CE2 4.48Å; Y420-F422 HydrophobicContact CG-CZ 4.41Å; Y420-F422 WeakPolarHBondContact O-CD2 3.46Å; Y420-F422 PolarHBondContact O-N 2.84Å
421	P	95.3	Very high	96.1	Very high	4 Å²	4	30.6 Å²	30.6	3%	0.026	16%	0.164	C	C	.	.			trans	-74.9	78	-179.4	30.2	-36.5	0	0	0	111.7	R83 Y85	R83-P421 HydrophobicContact CB-CB 4.28Å; R83-P421 HydrophobicContact CB-CG 4.43Å; Y85-P421 HydrophobicContact CD1-CB 3.94Å; Y85-P421 HydrophobicContact CE1-CB 3.87Å
422	F	93.7	Very high	96	Very high	23 Å²	23	33.9 Å²	33.9	10%	0.101	18%	0.179	C	C	.	.			trans	-63.9	147.6	172.7	-64.2	-80.7	0	0	0	111.4	L76 I88 P342 Y420 P427	L76-F422 HydrophobicContact CD2-CE1 3.66Å; L76-F422 HydrophobicContact CD2-CZ 3.83Å; I88-F422 HydrophobicContact CD1-CB 4.31Å; I88-F422 HydrophobicContact CD1-CD2 4.12Å; I88-F422 HydrophobicContact CG1-CB 4.3Å; I88-F422 PolarHBondContact N-O 2.96Å; P342-F422 HydrophobicContact CG-CZ 4Å; Y420-F422 VanDerWaalsContact C-N 3.29Å; Y420-F422 AromaticContact CD1-CD1 3.78Å; Y420-F422 HydrophobicContact CD1-CD1 3.78Å; Y420-F422 HydrophobicContact CD1-CD2 4.16Å; Y420-F422 AromaticContact CD1-CE1 3.67Å; Y420-F422 HydrophobicContact CD1-CE1 3.67Å; Y420-F422 HydrophobicContact CD1-CE2 4.05Å; Y420-F422 HydrophobicContact CD1-CG 4.02Å; Y420-F422 AromaticContact CD1-CZ 3.8Å; Y420-F422 HydrophobicContact CD1-CZ 3.8Å; Y420-F422 HydrophobicContact CE1-CD1 4.24Å; Y420-F422 HydrophobicContact CE1-CE1 4.28Å; Y420-F422 HydrophobicContact CG-CE2 4.48Å; Y420-F422 HydrophobicContact CG-CZ 4.41Å; Y420-F422 WeakPolarHBondContact O-CD2 3.46Å; Y420-F422 PolarHBondContact O-N 2.84Å; F422-P427 HydrophobicContact CD1-CG 4.32Å; F422-P427 HydrophobicContact CD2-CG 4.08Å; F422-P427 HydrophobicContact CE1-CG 3.91Å; F422-P427 HydrophobicContact CE2-CG 3.65Å; F422-P427 HydrophobicContact CG-CG 4.4Å; F422-P427 HydrophobicContact CZ-CG 3.56Å
423	Y	92.1	Very high	96	Very high	92 Å²	92	33.9 Å²	33.9	36%	0.361	18%	0.179	S	C	.	.	S	Bend	trans	-136.6	-9.5	-175.2	74.5	-73	0	0	0	114.8
424	K	92.9	Very high	96	Very high	148 Å²	148	34.1 Å²	34.1	64%	0.643	18%	0.181	S	C	*	.	S	Bend	trans	-110.8	-42	-178.4	-76.2	178.9	168.6	172.7	0	112.6	T91	T91-K424 WeakPolarHBondContact CG2-O 3.48Å
425	T	95.1	Very high	96.2	Very high	80 Å²	80	33.8 Å²	33.8	49%	0.491	18%	0.178	S	C	.	.			trans	-153.1	135.3	-173.8	-54.7	0	0	0	0	106.6	P427	T425-P427 WeakPolarHBondContact O-CD 3.49Å
426	D	97.8	Very high	96.4	Very high	4 Å²	4	30.7 Å²	30.7	2%	0.021	16%	0.161	C	C	.	.			trans	-83.8	112.1	168.9	-167.4	-26.1	0	0	0	108.9	R92 Q95 H408 F428 I429	R92-D426 HydrophobicContact CB-CB 4.5Å; R92-D426 IonicContact CZ-OD2 3.45Å; R92-D426 VanDerWaalsContact CZ-OD2 3.25Å; R92-D426 IonicContact NE-OD2 3.4Å; R92-D426 PolarHBondContact NE-OD2 2.78Å; R92-D426 IonicContact NH2-OD2 3.16Å; R92-D426 PolarHBondContact NH2-OD2 3.27Å; Q95-D426 VanDerWaalsContact OE1-N 3.09Å; H408-D426 IonicContact NE2-OD1 3.12Å; H408-D426 IonicContact NE2-OD2 2.74Å; H408-D426 PolarHBondContact NE2-OD2 3.3Å; D426-F428 PolarHBondContact O-N 3.33Å; D426-F428 WeakPolarHBondContact OD1-CB 3.33Å; D426-F428 PolarHBondContact OD1-N 3.27Å; D426-I429 HydrophobicContact CB-CD1 4.04Å; D426-I429 HydrophobicContact CB-CG1 4.27Å
427	P	97.7	Very high	96.6	Very high	18 Å²	18	29.3 Å²	29.3	12%	0.117	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-7.2	-177.7	33.3	-37.3	0	0	0	113.1	P73 F74 F422 T425	P73-P427 HydrophobicContact CB-CB 4.36Å; F74-P427 HydrophobicContact CD1-CB 4.2Å; F74-P427 HydrophobicContact CE1-CB 4.04Å; F74-P427 WeakPolarHBondContact CE1-O 3.33Å; F422-P427 HydrophobicContact CD1-CG 4.32Å; F422-P427 HydrophobicContact CD2-CG 4.08Å; F422-P427 HydrophobicContact CE1-CG 3.91Å; F422-P427 HydrophobicContact CE2-CG 3.65Å; F422-P427 HydrophobicContact CG-CG 4.4Å; F422-P427 HydrophobicContact CZ-CG 3.56Å; T425-P427 WeakPolarHBondContact O-CD 3.49Å
428	F	98.6	Very high	96.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-7.6	-179.2	-57.5	-39.6	0	0	0	113.6	F74 L341 P366 H408 I409 A413 C419 D426	F74-F428 HydrophobicContact CD1-CE1 4.39Å; F74-F428 HydrophobicContact CE1-CD1 4.09Å; F74-F428 HydrophobicContact CE1-CE1 4.25Å; L341-F428 HydrophobicContact CB-CE1 4.36Å; L341-F428 HydrophobicContact CB-CE2 4.38Å; L341-F428 HydrophobicContact CB-CZ 3.64Å; P366-F428 HydrophobicContact CG-CD1 4.4Å; P366-F428 HydrophobicContact CG-CE1 4.14Å; H408-F428 CarbonylContact C-O 3.58Å; H408-F428 WeakPolarHBondContact CA-O 3.47Å; H408-F428 WeakPolarHBondContact CE1-CB 3.06Å; I409-F428 HydrophobicContact CB-CB 4.18Å; I409-F428 WeakPolarHBondContact CG1-O 3.41Å; I409-F428 PolarHBondContact N-O 3.25Å; A413-F428 HydrophobicContact CB-CE2 4.37Å; C419-F428 HydrophobicContact CB-CE2 4Å; C419-F428 HydrophobicContact CB-CZ 4.44Å; D426-F428 PolarHBondContact O-N 3.33Å; D426-F428 WeakPolarHBondContact OD1-CB 3.33Å; D426-F428 PolarHBondContact OD1-N 3.27Å
429	I	98.7	Very high	97	Very high	17 Å²	17	27.8 Å²	27.8	9%	0.087	14%	0.141	C	C	.	.	B	Isolated β-bridge	trans	-75.9	132.5	170.5	-62.4	169.8	0	0	0	108.9	R92 Q95 M96 F99 D426 P431	R92-I429 HydrophobicContact CG-CD1 4.22Å; Q95-I429 HydrophobicContact CB-CD1 3.67Å; M96-I429 HydrophobicContact CG-CD1 3.87Å; M96-I429 HydrophobicContact CG-CG1 4.36Å; M96-I429 HydrophobicContact SD-CD1 4.14Å; M96-I429 HydrophobicContact SD-CG1 4.14Å; M96-I429 HydrophobicContact SD-CG2 3.86Å; F99-I429 HydrophobicContact CE2-CG2 4.44Å; D426-I429 HydrophobicContact CB-CD1 4.04Å; D426-I429 HydrophobicContact CB-CG1 4.27Å; I429-P431 WeakPolarHBondContact O-CD 3.33Å
430	F	98.4	Very high	97.1	Very high	3 Å²	3	27.9 Å²	27.9	1%	0.013	14%	0.141	C	C	.	.			trans	-71.9	113.2	177.6	-62.5	-89.5	0	0	0	111.2	A217 L377 L404 R407 I409 Y437	A217-F430 HydrophobicContact CB-CB 4.28Å; L377-F430 HydrophobicContact CD1-CD1 4.15Å; L377-F430 HydrophobicContact CD1-CE1 4.04Å; L377-F430 HydrophobicContact CD2-CE1 3.96Å; L404-F430 HydrophobicContact CD1-CD1 4.18Å; L404-F430 HydrophobicContact CD1-CD2 4.39Å; L404-F430 HydrophobicContact CD1-CE1 3.76Å; L404-F430 HydrophobicContact CD1-CE2 4.01Å; L404-F430 HydrophobicContact CD1-CG 4.47Å; L404-F430 HydrophobicContact CD1-CZ 3.67Å; R407-F430 HydrophobicContact CG-CB 4.07Å; R407-F430 HydrophobicContact CG-CD2 4.31Å; R407-F430 PolarHBondContact NE-O 3.45Å; R407-F430 VanDerWaalsContact NE-O 3.11Å; R407-F430 PolarHBondContact O-N 3.06Å; I409-F430 HydrophobicContact CB-CZ 4.41Å; I409-F430 HydrophobicContact CD1-CE1 4.39Å; I409-F430 HydrophobicContact CG1-CD1 4.4Å; I409-F430 HydrophobicContact CG1-CE1 3.73Å; I409-F430 HydrophobicContact CG1-CE2 3.96Å; I409-F430 HydrophobicContact CG1-CZ 3.47Å; I409-F430 VanDerWaalsContact CG1-CZ 3.47Å; F430-Y437 HydrophobicContact CE1-CE2 4.37Å; F430-Y437 HydrophobicContact CZ-CE1 4.2Å; F430-Y437 HydrophobicContact CZ-CE2 4.29Å; F430-Y437 AromaticContact CZ-CZ 3.93Å
431	P	95.9	Very high	97.2	Very high	97 Å²	97	28.3 Å²	28.3	63%	0.63	14%	0.144	S	C	*	.	S	Bend	trans	-73.3	-41.3	174.9	29.7	-32.4	0	0	0	110.9	I429	I429-P431 WeakPolarHBondContact O-CD 3.33Å
432	E	96.7	Very high	97.3	Very high	70 Å²	70	28.2 Å²	28.2	33%	0.327	14%	0.144	S	C	.	.	S	Bend	trans	-132.5	154.1	173.4	-62	-174.7	157.7	0	0	108.9	P218 K220 R375	P218-E432 WeakPolarHBondContact O-CA 3.49Å; K220-E432 IonicContact NZ-OE1 3.76Å; K220-E432 PolarHBondContact NZ-OE1 3.01Å; R375-E432 IonicContact CZ-OE2 2.88Å; R375-E432 IonicContact NH1-OE2 3.57Å; R375-E432 PolarHBondContact NH1-OE2 3.23Å
433	C	98.1	Very high	97.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.165	C	C	.	.			trans	-80.5	133.1	179.9	-168.8	0	0	0	0	110.5	A217 P218 Q219 R375 V458	A217-C433 HydrophobicContact CB-CB 4.29Å; A217-C433 VanDerWaalsContact O-CB 3.23Å; A217-C433 WeakPolarHBondContact O-CB 3.38Å; P218-C433 PolarHBondContact O-N 3.32Å; Q219-C433 HydrophobicContact CB-CB 3.98Å; Q219-C433 HydrophobicContact CG-CB 4.22Å; R375-C433 PolarHBondContact NH1-O 3.16Å; R375-C433 VanDerWaalsContact NH1-O 3.13Å; R375-C433 PolarHBondContact NH2-O 2.72Å; C433-V458 WeakPolarHBondContact SG-CG2 3.3Å
434	P	98.5	Very high	97.8	Very high	6 Å²	6	30.1 Å²	30.1	4%	0.039	17%	0.171	C	C	.	.			trans	-71.9	159.9	176.8	31.6	-36.9	0	0	0	111.8	Q219 L377 L404 Y437 V458	Q219-P434 PolarHBondContact NE2-O 3.44Å; L377-P434 HydrophobicContact CB-CB 3.86Å; L377-P434 HydrophobicContact CB-CG 4.24Å; L404-P434 HydrophobicContact CD1-CG 4.33Å; P434-Y437 HydrophobicContact CG-CG 4.41Å; P434-V458 HydrophobicContact CG-CG1 4.49Å; P434-V458 WeakPolarHBondContact O-CG2 3.29Å
435	H	98.8	Very high	98	Very high	7 Å²	7	26.2 Å²	26.2	3%	0.032	15%	0.154	C	C	.	.	S	Bend	trans	-81.9	-37.2	170	-64.1	130.9	0	0	0	111.3	Q219 K220 A222 V374 R375 L459	Q219-H435 PolarHBondContact NE2-CD2 3.43Å; K220-H435 PolarHBondContact O-CE1 3.18Å; K220-H435 VanDerWaalsContact O-CE1 3.25Å; K220-H435 PolarHBondContact O-NE2 2.96Å; A222-H435 PolarHBondContact N-CE1 2.85Å; A222-H435 PolarHBondContact N-NE2 3.04Å; V374-H435 HydrophobicContact CG1-CB 3.67Å; R375-H435 PolarHBondContact N-ND1 2.72Å; R375-H435 WeakPolarHBondContact O-CA 3.43Å; R375-H435 PolarHBondContact O-N 2.92Å; H435-L459 PolarHBondContact O-N 3.26Å
436	V	98.9	Very high	98.2	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	124.1	174.1	-175.1	0	0	0	0	108.3	V374 R375 F376 L377 L459 V461 V475 L480	V374-V436 HydrophobicContact CG1-CG2 3.89Å; R375-V436 PolarHBondContact O-N 3.43Å; F376-V436 WeakPolarHBondContact CA-O 3.49Å; F376-V436 HydrophobicContact CD1-CB 3.75Å; F376-V436 HydrophobicContact CD1-CG1 3.84Å; F376-V436 HydrophobicContact CD1-CG2 4.34Å; F376-V436 HydrophobicContact CD2-CB 4.45Å; F376-V436 HydrophobicContact CD2-CG2 4.49Å; F376-V436 HydrophobicContact CE1-CB 3.71Å; F376-V436 HydrophobicContact CE1-CG1 3.64Å; F376-V436 HydrophobicContact CE1-CG2 3.87Å; F376-V436 HydrophobicContact CE2-CB 4.4Å; F376-V436 HydrophobicContact CE2-CG2 4.04Å; F376-V436 HydrophobicContact CG-CB 4.12Å; F376-V436 HydrophobicContact CZ-CB 4.04Å; F376-V436 HydrophobicContact CZ-CG1 4.32Å; F376-V436 HydrophobicContact CZ-CG2 3.69Å; L377-V436 PolarHBondContact N-O 3.06Å; V436-L459 CarbonylContact C-O 3.52Å; V436-L459 WeakPolarHBondContact CA-O 3.31Å; V436-L459 HydrophobicContact CG1-CD2 4.18Å; V436-L459 HydrophobicContact CG1-CG 4.44Å; V436-L459 HydrophobicContact CG2-CB 4.26Å; V436-L459 HydrophobicContact CG2-CD2 4.14Å; V436-V461 HydrophobicContact CG1-CG2 4.33Å; V436-V475 HydrophobicContact CG2-CG1 4.42Å; V436-L480 HydrophobicContact CG2-CD2 4.03Å
437	Y	98.9	Very high	98.3	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	117.4	174.3	-175.5	-141.1	0	0	0	109.6	L377 L400 T403 L404 F430 P434 L459 L460 V461	L377-Y437 HydrophobicContact CB-CD2 4.37Å; L377-Y437 HydrophobicContact CD2-CD2 3.46Å; L377-Y437 VanDerWaalsContact CD2-CD2 3.46Å; L377-Y437 HydrophobicContact CD2-CE2 3.27Å; L377-Y437 VanDerWaalsContact O-CA 3.3Å; L377-Y437 WeakPolarHBondContact O-CA 3.43Å; L377-Y437 WeakPolarHBondContact O-CD2 3.39Å; L400-Y437 HydrophobicContact CD1-CD1 3.66Å; L400-Y437 HydrophobicContact CD1-CE1 3.22Å; L400-Y437 HydrophobicContact CD1-CE2 4.16Å; L400-Y437 HydrophobicContact CD1-CG 4.32Å; L400-Y437 VanDerWaalsContact CD1-CZ 3.49Å; L400-Y437 HydrophobicContact CG-CD1 3.87Å; L400-Y437 HydrophobicContact CG-CE1 3.84Å; L400-Y437 WeakPolarHBondContact O-CE1 3.37Å; T403-Y437 WeakPolarHBondContact OG1-CE1 3.45Å; T403-Y437 PolarHBondContact OG1-OH 3.24Å; L404-Y437 HydrophobicContact CB-CD1 4.12Å; L404-Y437 HydrophobicContact CB-CE1 4.13Å; L404-Y437 HydrophobicContact CD1-CD1 4.04Å; L404-Y437 HydrophobicContact CD1-CE1 4.35Å; L404-Y437 HydrophobicContact CD2-CD1 4.2Å; L404-Y437 HydrophobicContact CG-CD1 4.34Å; F430-Y437 HydrophobicContact CE1-CE2 4.37Å; F430-Y437 HydrophobicContact CZ-CE1 4.2Å; F430-Y437 HydrophobicContact CZ-CE2 4.29Å; F430-Y437 AromaticContact CZ-CZ 3.93Å; P434-Y437 HydrophobicContact CG-CG 4.41Å; Y437-L459 PolarHBondContact N-O 2.77Å; Y437-L460 HydrophobicContact CD1-CD2 3.96Å; Y437-L460 HydrophobicContact CG-CD2 4.44Å; Y437-L460 WeakPolarHBondContact O-CA 3.17Å; Y437-V461 PolarHBondContact O-N 2.82Å
438	F	98.9	Very high	98.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	155.3	-175.3	72.1	-92.4	0	0	0	113.7	L233 I277 A279 M330 F376 L377 G378 T379 V461 V463	L233-F438 HydrophobicContact CD1-CB 4.14Å; L233-F438 HydrophobicContact CD1-CG 4.23Å; I277-F438 HydrophobicContact CG2-CZ 4.21Å; A279-F438 HydrophobicContact CB-CE2 3.89Å; M330-F438 HydrophobicContact CE-CE2 4.34Å; M330-F438 HydrophobicContact CE-CZ 4.41Å; M330-F438 HydrophobicContact SD-CE2 3.99Å; M330-F438 HydrophobicContact SD-CZ 3.83Å; F376-F438 HydrophobicContact CD1-CD1 4.33Å; F376-F438 HydrophobicContact CD1-CE1 4.38Å; L377-F438 WeakPolarHBondContact O-CD1 3.38Å; L377-F438 PolarHBondContact O-N 3.41Å; G378-F438 WeakPolarHBondContact CA-O 3.36Å; T379-F438 PolarHBondContact N-O 3.46Å; F438-V461 CarbonylContact C-O 3.57Å; F438-V461 WeakPolarHBondContact CA-O 3.15Å; F438-V461 HydrophobicContact CB-CB 4.12Å; F438-V461 WeakPolarHBondContact CB-O 3.44Å; F438-V463 HydrophobicContact CB-CG2 4.45Å; F438-V463 HydrophobicContact CD2-CG2 4.47Å
439	C	98.7	Very high	98.3	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.007	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	125.8	174.8	177.4	0	0	0	0	109	G381 V384 L400 T442 V461 V463	G381-C439 VanDerWaalsContact CA-SG 3.53Å; V384-C439 HydrophobicContact CG2-CB 4.21Å; V384-C439 VanDerWaalsContact CG2-SG 3.56Å; L400-C439 HydrophobicContact CD1-CB 3.86Å; L400-C439 HydrophobicContact CD2-CB 3.95Å; L400-C439 HydrophobicContact CG-CB 4.45Å; C439-T442 HydrophobicContact CB-CG2 4.43Å; C439-V461 PolarHBondContact N-O 3.45Å; C439-V463 PolarHBondContact O-N 3.32Å
440	G	98.5	Very high	98.3	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.01	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	169.1	172.8	0	0	0	0	0	113.4	T379 G381 T442 V463	T379-G440 PolarHBondContact O-N 3.35Å; G381-G440 VanDerWaalsContact CA-O 3.27Å; G381-G440 WeakPolarHBondContact CA-O 3.25Å; G440-T442 VanDerWaalsContact C-N 3.32Å; G440-T442 PolarHBondContact O-N 3.42Å; G440-V463 CarbonylContact C-O 3.59Å
441	N	98.3	Very high	98.2	Very high	23 Å²	23	39.1 Å²	39.1	12%	0.123	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	58	36.3	166.2	-56.2	-63.7	0	0	0	114.5	S235 G236 A279 N281 S380 V463	S235-N441 PolarHBondContact OG-N 3.12Å; G236-N441 WeakPolarHBondContact CA-OD1 3.28Å; G236-N441 PolarHBondContact N-OD1 2.9Å; A279-N441 PolarHBondContact O-ND2 3.03Å; A279-N441 VanDerWaalsContact O-ND2 3.11Å; N281-N441 WeakPolarHBondContact CB-OD1 3.39Å; N281-N441 VanDerWaalsContact ND2-CG 3.32Å; S380-N441 PolarHBondContact O-ND2 3.4Å; N441-V463 PolarHBondContact N-O 2.79Å; N441-V463 VanDerWaalsContact N-O 3.11Å
442	T	98.1	Very high	98.2	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.012	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	154.9	175.1	60.8	0	0	0	0	111.4	H396 C439 G440 S444 T462 V463 P464 D465	H396-T442 HydrophobicContact CB-CG2 4.13Å; C439-T442 HydrophobicContact CB-CG2 4.43Å; G440-T442 VanDerWaalsContact C-N 3.32Å; G440-T442 PolarHBondContact O-N 3.42Å; T442-S444 PolarHBondContact O-N 3.42Å; T442-S444 PolarHBondContact OG1-O 3.07Å; T442-T462 HydrophobicContact CG2-CG2 4Å; T442-T462 WeakPolarHBondContact OG1-CB 3.39Å; T442-V463 PolarHBondContact N-O 2.82Å; T442-V463 PolarHBondContact OG1-O 3.25Å; T442-V463 VanDerWaalsContact OG1-O 3.06Å; T442-P464 CarbonylContact O-C 3.58Å; T442-P464 WeakPolarHBondContact O-CA 3.28Å; T442-D465 PolarHBondContact O-N 3.39Å
443	P	97.8	Very high	98	Very high	84 Å²	84	35.3 Å²	35.3	55%	0.545	19%	0.193	S	C	.	.	S	Bend	trans	-67.8	-21.7	-180	26.4	-35.3	0	0	0	113.3
444	S	98.3	Very high	97.7	Very high	71 Å²	71	40.5 Å²	40.5	50%	0.497	22%	0.217	S	C	.	.	S	Bend	trans	-146.7	158.6	-179.5	57.2	0	0	0	0	111.3	T442	T442-S444 PolarHBondContact O-N 3.42Å; T442-S444 PolarHBondContact OG1-O 3.07Å
445	F	98.6	Very high	97.4	Very high	66 Å²	66	46.7 Å²	46.7	29%	0.289	25%	0.25	S	C	.	.			trans	-69.6	142.2	171	167.4	-107.2	0	0	0	110.7	V461 P464 C473 P484	F445-V461 HydrophobicContact CE2-CG1 4.45Å; F445-P464 HydrophobicContact CB-CG 4.16Å; F445-C473 WeakPolarHBondContact CD2-SG 3.32Å; F445-C473 HydrophobicContact CE2-CB 4.41Å; F445-P484 HydrophobicContact CD1-CB 3.96Å; F445-P484 HydrophobicContact CD1-CG 3.91Å; F445-P484 HydrophobicContact CD2-CB 4.38Å; F445-P484 HydrophobicContact CE1-CB 4.2Å; F445-P484 HydrophobicContact CE1-CG 3.86Å; F445-P484 HydrophobicContact CG-CB 4.04Å; F445-P484 HydrophobicContact CG-CG 4.49Å; F445-P484 HydrophobicContact CZ-CB 4.5Å; F445-P484 HydrophobicContact CZ-CG 4.41Å
446	G	98.5	Very high	97.4	Very high	12 Å²	12	46.5 Å²	46.5	12%	0.124	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	143.6	172.3	0	0	0	0	0	110.7	V461 T462	G446-V461 WeakPolarHBondContact O-CA 3.32Å; G446-T462 WeakPolarHBondContact CA-OG1 3.37Å; G446-T462 PolarHBondContact N-O 2.91Å; G446-T462 PolarHBondContact N-OG1 3.41Å; G446-T462 PolarHBondContact O-N 3.08Å; G446-T462 PolarHBondContact O-OG1 3.03Å
447	S	98.6	Very high	97.3	Very high	42 Å²	42	48.5 Å²	48.5	29%	0.294	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	141.7	174.5	-173.3	0	0	0	0	111.4	L459 L460 C482	S447-L459 VanDerWaalsContact OG-CD1 3.29Å; S447-L459 WeakPolarHBondContact OG-CD1 3.47Å; S447-L460 VanDerWaalsContact CA-O 3.24Å; S447-L460 WeakPolarHBondContact CA-O 3.41Å; S447-L460 PolarHBondContact OG-O 3.49Å; S447-C482 WeakPolarHBondContact OG-CB 3.39Å
448	K	98.3	Very high	97.3	Very high	69 Å²	69	48.5 Å²	48.5	30%	0.3	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	141	-179.6	174.6	174.2	54.7	178	0	109.7	L397 E401 I450 L460	L397-K448 HydrophobicContact CD2-CB 3.83Å; L397-K448 HydrophobicContact CG-CB 4.42Å; E401-K448 VanDerWaalsContact OE2-CE 3.28Å; E401-K448 WeakPolarHBondContact OE2-CE 3.17Å; E401-K448 IonicContact OE2-NZ 2.72Å; E401-K448 PolarHBondContact OE2-NZ 2.85Å; K448-I450 HydrophobicContact CD-CG2 4.07Å; K448-I450 HydrophobicContact CG-CG2 4Å; K448-L460 PolarHBondContact N-O 2.89Å; K448-L460 VanDerWaalsContact N-O 3.12Å; K448-L460 WeakPolarHBondContact O-CB 3.45Å; K448-L460 PolarHBondContact O-N 2.91Å
449	I	98.5	Very high	97.3	Very high	90 Å²	90	48.6 Å²	48.6	46%	0.462	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	128.3	167.1	-63.2	175.8	0	0	0	107.9	T457 V458 L459	I449-T457 HydrophobicContact CG2-CG2 3.57Å; I449-V458 WeakPolarHBondContact CA-O 3.32Å; I449-L459 HydrophobicContact CG1-CD1 3.93Å
450	I	98.3	Very high	97.3	Very high	9 Å²	9	48.6 Å²	48.6	5%	0.046	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	156.4	173.2	68.5	163.6	0	0	0	110.5	L216 E401 L404 K448 V458 L460	L216-I450 HydrophobicContact CD1-CD1 4.43Å; L216-I450 HydrophobicContact CD2-CD1 4.44Å; E401-I450 HydrophobicContact CG-CD1 4.11Å; E401-I450 HydrophobicContact CG-CG2 4.42Å; L404-I450 HydrophobicContact CD2-CD1 3.8Å; K448-I450 HydrophobicContact CD-CG2 4.07Å; K448-I450 HydrophobicContact CG-CG2 4Å; I450-V458 HydrophobicContact CG1-CB 3.96Å; I450-V458 PolarHBondContact N-O 2.77Å; I450-V458 PolarHBondContact O-N 3.05Å; I450-L460 HydrophobicContact CD1-CD1 4.26Å; I450-L460 HydrophobicContact CG1-CD1 4.41Å; I450-L460 HydrophobicContact CG1-CG 4.43Å; I450-L460 HydrophobicContact CG2-CD1 3.84Å; I450-L460 HydrophobicContact CG2-CG 4.4Å
451	R	97.1	Very high	97.3	Very high	172 Å²	172	48.5 Å²	48.5	65%	0.649	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115	145.5	172.6	-66.5	-173.4	178.2	-133.3	-0.3	111.6	R405 Q456	R405-R451 PolarHBondContact NH1-O 3.29Å; R405-R451 PolarHBondContact NH2-O 2.8Å; R405-R451 VanDerWaalsContact NH2-O 3.09Å; R451-Q456 CarbonylContact C-O 3.54Å; R451-Q456 VanDerWaalsContact CA-O 3.23Å; R451-Q456 WeakPolarHBondContact CA-O 3.38Å
452	G	95.4	Very high	97.4	Very high	13 Å²	13	47.5 Å²	47.5	13%	0.134	26%	0.255	C	S	.	.			trans	-97.8	173.7	173.2	0	0	0	0	0	113.4	E454 Q456	G452-E454 VanDerWaalsContact C-N 3.26Å; G452-E454 PolarHBondContact O-N 3.41Å; G452-Q456 VanDerWaalsContact C-OE1 3.27Å; G452-Q456 VanDerWaalsContact CA-OE1 3.29Å; G452-Q456 PolarHBondContact N-O 3.39Å
453	P	92.4	Very high	97.4	Very high	74 Å²	74	47.4 Å²	47.4	48%	0.481	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-22.6	178.8	-21.7	33.9	0	0	0	115	D215	D215-P453 VanDerWaalsContact OD2-CG 3.23Å; D215-P453 WeakPolarHBondContact OD2-CG 3.46Å
454	E	92.1	Very high	97.5	Very high	109 Å²	109	43.5 Å²	43.5	51%	0.509	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.9	40.5	-176.5	-59.5	162.6	-126	0	0	110.5	R103 G452 Q456	R103-E454 IonicContact CZ-OE1 3.18Å; R103-E454 IonicContact NH1-OE1 3.49Å; R103-E454 IonicContact NH2-OE1 3.06Å; R103-E454 PolarHBondContact NH2-OE1 3.48Å; G452-E454 VanDerWaalsContact C-N 3.26Å; G452-E454 PolarHBondContact O-N 3.41Å; E454-Q456 PolarHBondContact O-N 2.93Å
455	D	93.3	Very high	97.4	Very high	136 Å²	136	42.5 Å²	42.5	73%	0.727	22%	0.218	S	C	*	.	S	Bend	trans	56.5	21	-178.6	-71.8	-43.4	0	0	0	114.9
456	Q	97.5	Very high	97.4	Very high	3 Å²	3	39.4 Å²	39.4	1%	0.014	21%	0.205	C	C	.	.			trans	-62.7	141.7	170.4	-56.1	98.6	-28	0	0	109.9	L216 A217 Q219 R451 G452 E454	L216-Q456 HydrophobicContact CD1-CB 4.05Å; A217-Q456 PolarHBondContact O-NE2 2.93Å; Q219-Q456 HydrophobicContact CB-CB 4Å; Q219-Q456 HydrophobicContact CB-CG 3.54Å; Q219-Q456 VanDerWaalsContact OE1-CA 3.29Å; R451-Q456 CarbonylContact C-O 3.54Å; R451-Q456 VanDerWaalsContact CA-O 3.23Å; R451-Q456 WeakPolarHBondContact CA-O 3.38Å; G452-Q456 VanDerWaalsContact C-OE1 3.27Å; G452-Q456 VanDerWaalsContact CA-OE1 3.29Å; G452-Q456 PolarHBondContact N-O 3.39Å; E454-Q456 PolarHBondContact O-N 2.93Å
457	T	97.8	Very high	97.2	Very high	41 Å²	41	40.5 Å²	40.5	25%	0.252	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	124.2	174.4	-60.7	0	0	0	0	109.3	Q219 I449	Q219-T457 PolarHBondContact NE2-O 3.15Å; Q219-T457 PolarHBondContact OE1-O 2.72Å; I449-T457 HydrophobicContact CG2-CG2 3.57Å
458	V	98.8	Very high	97	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	127.8	-177.3	-169.1	0	0	0	0	109.9	L216 L404 C433 P434 I449 I450 L460	L216-V458 HydrophobicContact CD1-CG2 4.19Å; L404-V458 HydrophobicContact CD2-CB 4.23Å; L404-V458 HydrophobicContact CD2-CG1 3.88Å; L404-V458 HydrophobicContact CD2-CG2 4.2Å; C433-V458 WeakPolarHBondContact SG-CG2 3.3Å; P434-V458 HydrophobicContact CG-CG1 4.49Å; P434-V458 WeakPolarHBondContact O-CG2 3.29Å; I449-V458 WeakPolarHBondContact CA-O 3.32Å; I450-V458 HydrophobicContact CG1-CB 3.96Å; I450-V458 PolarHBondContact N-O 2.77Å; I450-V458 PolarHBondContact O-N 3.05Å; V458-L460 HydrophobicContact CG1-CD2 4Å
459	L	98.9	Very high	96.9	Very high	3 Å²	3	41 Å²	41	2%	0.016	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	118.2	166.7	176.3	65.6	0	0	0	109.2	H435 V436 Y437 S447 I449 V461 V475 L480 C482	H435-L459 PolarHBondContact O-N 3.26Å; V436-L459 CarbonylContact C-O 3.52Å; V436-L459 WeakPolarHBondContact CA-O 3.31Å; V436-L459 HydrophobicContact CG1-CD2 4.18Å; V436-L459 HydrophobicContact CG1-CG 4.44Å; V436-L459 HydrophobicContact CG2-CB 4.26Å; V436-L459 HydrophobicContact CG2-CD2 4.14Å; Y437-L459 PolarHBondContact N-O 2.77Å; S447-L459 VanDerWaalsContact OG-CD1 3.29Å; S447-L459 WeakPolarHBondContact OG-CD1 3.47Å; I449-L459 HydrophobicContact CG1-CD1 3.93Å; L459-V461 HydrophobicContact CD1-CG2 4.39Å; L459-V461 HydrophobicContact CD2-CG2 4.01Å; L459-V461 HydrophobicContact CG-CG2 3.84Å; L459-V475 HydrophobicContact CD2-CG1 3.61Å; L459-V475 HydrophobicContact CD2-CG2 4.32Å; L459-L480 HydrophobicContact CB-CB 4.44Å; L459-L480 WeakPolarHBondContact CD1-O 3.47Å; L459-L480 HydrophobicContact CD2-CB 4.46Å; L459-L480 WeakPolarHBondContact CD2-O 3.1Å; L459-C482 HydrophobicContact CD1-CB 4.44Å; L459-C482 HydrophobicContact CD2-CB 4.37Å
460	L	98.9	Very high	96.9	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	137.2	170.1	-55.1	-176.5	0	0	0	109.6	L397 L400 E401 L404 Y437 S447 K448 I450 V458	L397-L460 HydrophobicContact CD1-CB 3.66Å; L400-L460 HydrophobicContact CD2-CB 4.37Å; E401-L460 HydrophobicContact CB-CD1 3.57Å; E401-L460 HydrophobicContact CG-CD1 4.2Å; L404-L460 HydrophobicContact CD2-CD2 3.88Å; Y437-L460 HydrophobicContact CD1-CD2 3.96Å; Y437-L460 HydrophobicContact CG-CD2 4.44Å; Y437-L460 WeakPolarHBondContact O-CA 3.17Å; S447-L460 VanDerWaalsContact CA-O 3.24Å; S447-L460 WeakPolarHBondContact CA-O 3.41Å; S447-L460 PolarHBondContact OG-O 3.49Å; K448-L460 PolarHBondContact N-O 2.89Å; K448-L460 VanDerWaalsContact N-O 3.12Å; K448-L460 WeakPolarHBondContact O-CB 3.45Å; K448-L460 PolarHBondContact O-N 2.91Å; I450-L460 HydrophobicContact CD1-CD1 4.26Å; I450-L460 HydrophobicContact CG1-CD1 4.41Å; I450-L460 HydrophobicContact CG1-CG 4.43Å; I450-L460 HydrophobicContact CG2-CD1 3.84Å; I450-L460 HydrophobicContact CG2-CG 4.4Å; V458-L460 HydrophobicContact CG1-CD2 4Å
461	V	98.9	Very high	96.9	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	122.6	177	-170.4	0	0	0	0	110.7	L233 V436 Y437 F438 C439 F445 G446 L459 V463 C473 V475 C482	L233-V461 HydrophobicContact CD1-CB 4.47Å; L233-V461 HydrophobicContact CD1-CG1 4.25Å; V436-V461 HydrophobicContact CG1-CG2 4.33Å; Y437-V461 PolarHBondContact O-N 2.82Å; F438-V461 CarbonylContact C-O 3.57Å; F438-V461 WeakPolarHBondContact CA-O 3.15Å; F438-V461 HydrophobicContact CB-CB 4.12Å; F438-V461 WeakPolarHBondContact CB-O 3.44Å; C439-V461 PolarHBondContact N-O 3.45Å; F445-V461 HydrophobicContact CE2-CG1 4.45Å; G446-V461 WeakPolarHBondContact O-CA 3.32Å; L459-V461 HydrophobicContact CD1-CG2 4.39Å; L459-V461 HydrophobicContact CD2-CG2 4.01Å; L459-V461 HydrophobicContact CG-CG2 3.84Å; V461-V463 HydrophobicContact CG1-CG2 4.06Å; V461-C473 HydrophobicContact CG1-CB 4.21Å; V461-V475 HydrophobicContact CG2-CG2 4.35Å; V461-C482 HydrophobicContact CG2-CB 4.29Å
462	T	98.9	Very high	97	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.012	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	107.5	166.2	52.3	0	0	0	0	108.3	H396 L397 L400 T442 G446	H396-T462 HydrophobicContact CB-CG2 4.24Å; L397-T462 HydrophobicContact CB-CG2 4.03Å; L397-T462 HydrophobicContact CD1-CG2 4.04Å; L400-T462 HydrophobicContact CD2-CG2 4.11Å; T442-T462 HydrophobicContact CG2-CG2 4Å; T442-T462 WeakPolarHBondContact OG1-CB 3.39Å; G446-T462 WeakPolarHBondContact CA-OG1 3.37Å; G446-T462 PolarHBondContact N-O 2.91Å; G446-T462 PolarHBondContact N-OG1 3.41Å; G446-T462 PolarHBondContact O-N 3.08Å; G446-T462 PolarHBondContact O-OG1 3.03Å
463	V	98.9	Very high	97.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	119.4	-177.6	-172.1	0	0	0	0	107.6	L233 S235 F438 C439 G440 N441 T442 V461	L233-V463 HydrophobicContact CB-CG1 4.16Å; L233-V463 HydrophobicContact CB-CG2 3.72Å; L233-V463 HydrophobicContact CD1-CG2 3.88Å; L233-V463 HydrophobicContact CG-CG2 4.43Å; S235-V463 WeakPolarHBondContact OG-CG1 3.34Å; S235-V463 PolarHBondContact OG-O 3.23Å; S235-V463 VanDerWaalsContact OG-O 3.12Å; F438-V463 HydrophobicContact CB-CG2 4.45Å; F438-V463 HydrophobicContact CD2-CG2 4.47Å; C439-V463 PolarHBondContact O-N 3.32Å; G440-V463 CarbonylContact C-O 3.59Å; N441-V463 PolarHBondContact N-O 2.79Å; N441-V463 VanDerWaalsContact N-O 3.11Å; T442-V463 PolarHBondContact N-O 2.82Å; T442-V463 PolarHBondContact OG1-O 3.25Å; T442-V463 VanDerWaalsContact OG1-O 3.06Å; V461-V463 HydrophobicContact CG1-CG2 4.06Å
464	P	98.6	Very high	97.4	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.006	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	161.1	-173.7	29.7	-34.1	0	0	0	112.3	S235 T442 F445 F466 T469 T471	S235-P464 PolarHBondContact OG-O 2.94Å; T442-P464 CarbonylContact O-C 3.58Å; T442-P464 WeakPolarHBondContact O-CA 3.28Å; F445-P464 HydrophobicContact CB-CG 4.16Å; P464-F466 PolarHBondContact O-N 3.02Å; P464-T469 HydrophobicContact CB-CG2 4.05Å; P464-T471 HydrophobicContact CG-CG2 3.93Å; P464-T471 WeakPolarHBondContact CG-O 3.43Å
465	D	97.8	Very high	97.7	Very high	51 Å²	51	21.1 Å²	21.1	27%	0.273	13%	0.13	S	C	.	.	B	Isolated β-bridge	trans	-65.7	109.4	168.2	179	15.5	0	0	0	110	G236 T442 S467 A468 T469	G236-D465 WeakPolarHBondContact CA-OD1 3.35Å; T442-D465 PolarHBondContact O-N 3.39Å; D465-S467 VanDerWaalsContact C-N 3.28Å; D465-S467 PolarHBondContact O-N 3.38Å; D465-S467 PolarHBondContact OD1-N 2.91Å; D465-A468 PolarHBondContact O-N 3Å; D465-T469 WeakPolarHBondContact O-CB 3.3Å; D465-T469 PolarHBondContact O-N 2.89Å; D465-T469 PolarHBondContact O-OG1 2.77Å
466	F	97.7	Very high	97.9	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-64.7	-34	-176.4	-168.4	-86.7	0	0	0	111.7	V234 S235 G236 L237 L253 P464 A468 T469 Q470 T471 A472 F487	V234-F466 HydrophobicContact CG1-CB 4.1Å; V234-F466 HydrophobicContact CG1-CD2 3.91Å; V234-F466 HydrophobicContact CG1-CG 4.12Å; S235-F466 WeakPolarHBondContact O-CB 3.33Å; S235-F466 PolarHBondContact O-N 3.03Å; G236-F466 PolarHBondContact O-N 3.45Å; L237-F466 HydrophobicContact CD2-CD1 4.28Å; L237-F466 HydrophobicContact CD2-CG 4.49Å; L253-F466 HydrophobicContact CB-CE2 4.4Å; L253-F466 HydrophobicContact CB-CZ 4.01Å; L253-F466 HydrophobicContact CD1-CE2 4.5Å; L253-F466 HydrophobicContact CD2-CD2 4.39Å; L253-F466 HydrophobicContact CD2-CE2 3.85Å; L253-F466 HydrophobicContact CD2-CZ 3.93Å; L253-F466 HydrophobicContact CG-CE2 4.49Å; L253-F466 HydrophobicContact CG-CZ 4.5Å; P464-F466 PolarHBondContact O-N 3.02Å; F466-A468 PolarHBondContact O-N 2.8Å; F466-T469 PolarHBondContact O-N 3.2Å; F466-Q470 HydrophobicContact CZ-CB 4.45Å; F466-Q470 WeakPolarHBondContact O-CA 3.35Å; F466-Q470 PolarHBondContact O-N 2.99Å; F466-T471 WeakPolarHBondContact CD2-O 3.43Å; F466-A472 HydrophobicContact CD2-CB 4.49Å; F466-F487 AromaticContact CE2-CD2 3.83Å; F466-F487 HydrophobicContact CE2-CD2 3.83Å; F466-F487 HydrophobicContact CE2-CE2 4.22Å; F466-F487 AromaticContact CZ-CD2 3.95Å; F466-F487 HydrophobicContact CZ-CD2 3.95Å
467	S	95.1	Very high	97.9	Very high	36 Å²	36	14.8 Å²	14.8	25%	0.252	10%	0.096	S	C	.	.	H	α-helix	trans	-62.2	-28.2	179.8	-179.4	0	0	0	0	112.5	G236 D465	G236-S467 WeakPolarHBondContact O-CB 3.37Å; G236-S467 PolarHBondContact O-N 3.47Å; D465-S467 VanDerWaalsContact C-N 3.28Å; D465-S467 PolarHBondContact O-N 3.38Å; D465-S467 PolarHBondContact OD1-N 2.91Å
468	A	94	Very high	97.7	Very high	79 Å²	79	17.9 Å²	17.9	65%	0.653	10%	0.103	S	C	*	.	H	α-helix	trans	-98.8	-37.1	179.7	0	0	0	0	0	112.7	D465 F466	D465-A468 PolarHBondContact O-N 3Å; F466-A468 PolarHBondContact O-N 2.8Å
469	T	96.6	Very high	97.6	Very high	43 Å²	43	19.6 Å²	19.6	26%	0.264	12%	0.115	S	C	.	.	H	α-helix	trans	-107.4	-13.8	-169	66.2	0	0	0	0	114.2	P464 D465 F466 T471	P464-T469 HydrophobicContact CB-CG2 4.05Å; D465-T469 WeakPolarHBondContact O-CB 3.3Å; D465-T469 PolarHBondContact O-N 2.89Å; D465-T469 PolarHBondContact O-OG1 2.77Å; F466-T469 PolarHBondContact O-N 3.2Å; T469-T471 PolarHBondContact O-N 3.15Å; T469-T471 PolarHBondContact O-OG1 3.26Å; T469-T471 PolarHBondContact OG1-N 3.35Å
470	Q	97.4	Very high	97.4	Very high	29 Å²	29	20.9 Å²	20.9	14%	0.136	12%	0.122	C	C	.	.			trans	46	34.4	-170.8	-59.6	176.8	-38.7	0	0	112.8	E245 F466 S486 F487	E245-Q470 VanDerWaalsContact C-NE2 3.33Å; E245-Q470 PolarHBondContact O-NE2 3.28Å; F466-Q470 HydrophobicContact CZ-CB 4.45Å; F466-Q470 WeakPolarHBondContact O-CA 3.35Å; F466-Q470 PolarHBondContact O-N 2.99Å; Q470-S486 WeakPolarHBondContact O-CA 3.32Å; Q470-F487 WeakPolarHBondContact CB-O 3.19Å; Q470-F487 PolarHBondContact O-N 3.31Å; Q470-F487 PolarHBondContact OE1-O 3.11Å
471	T	98.6	Very high	97.3	Very high	15 Å²	15	22.3 Å²	22.3	9%	0.092	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	135.1	-173.3	-61.2	0	0	0	0	110.7	P464 F466 T469 P484 I485 S486	P464-T471 HydrophobicContact CG-CG2 3.93Å; P464-T471 WeakPolarHBondContact CG-O 3.43Å; F466-T471 WeakPolarHBondContact CD2-O 3.43Å; T469-T471 PolarHBondContact O-N 3.15Å; T469-T471 PolarHBondContact O-OG1 3.26Å; T469-T471 PolarHBondContact OG1-N 3.35Å; T471-P484 HydrophobicContact CG2-CB 3.82Å; T471-I485 CarbonylContact C-O 3.44Å; T471-I485 VanDerWaalsContact CA-O 3.29Å; T471-I485 WeakPolarHBondContact CA-O 3.42Å; T471-S486 PolarHBondContact OG1-OG 2.8Å
472	A	98.6	Very high	97.3	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	172.7	173.6	0	0	0	0	0	110.5	L232 V234 L253 F466 P484 I485	L232-A472 HydrophobicContact CD1-CB 3.8Å; V234-A472 HydrophobicContact CG2-CB 3.95Å; L253-A472 HydrophobicContact CD1-CB 4.21Å; F466-A472 HydrophobicContact CD2-CB 4.49Å; A472-P484 CarbonylContact O-C 3.53Å; A472-P484 VanDerWaalsContact O-CA 3.29Å; A472-P484 WeakPolarHBondContact O-CA 3.35Å; A472-I485 PolarHBondContact N-O 3.35Å; A472-I485 PolarHBondContact O-N 3.41Å
473	C	98.6	Very high	97.2	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	126.6	-178.3	-50.7	0	0	0	0	111.7	L232 L233 F445 V461	L232-C473 WeakPolarHBondContact CA-O 3.46Å; L233-C473 HydrophobicContact CB-CB 4.26Å; L233-C473 PolarHBondContact N-O 3.12Å; L233-C473 PolarHBondContact O-N 3.09Å; F445-C473 WeakPolarHBondContact CD2-SG 3.32Å; F445-C473 HydrophobicContact CE2-CB 4.41Å; V461-C473 HydrophobicContact CG1-CB 4.21Å
474	L	98.3	Very high	97.2	Very high	5 Å²	5	27.7 Å²	27.7	3%	0.026	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	121.1	168.3	-79	-172.5	0	0	0	110.9	F37 F230 L232 V273 C482 Q483 I485	F37-L474 HydrophobicContact CB-CD1 3.63Å; F37-L474 HydrophobicContact CD1-CD1 3.94Å; F37-L474 HydrophobicContact CD2-CD1 3.28Å; F37-L474 HydrophobicContact CE1-CD1 4.44Å; F37-L474 HydrophobicContact CE2-CD1 3.84Å; F37-L474 HydrophobicContact CG-CD1 3.33Å; F37-L474 HydrophobicContact CZ-CD1 4.4Å; F230-L474 HydrophobicContact CB-CD2 4.23Å; F230-L474 HydrophobicContact CD1-CB 4.45Å; L232-L474 HydrophobicContact CB-CD2 3.78Å; L232-L474 HydrophobicContact CD1-CD2 3.65Å; L232-L474 HydrophobicContact CD1-CG 4.15Å; L232-L474 HydrophobicContact CG-CD2 4.3Å; V273-L474 HydrophobicContact CG2-CD2 4.24Å; L474-C482 CarbonylContact O-C 3.54Å; L474-C482 VanDerWaalsContact O-CA 3.31Å; L474-C482 WeakPolarHBondContact O-CA 3.47Å; L474-Q483 PolarHBondContact N-O 2.97Å; L474-Q483 PolarHBondContact O-N 2.69Å; L474-I485 HydrophobicContact CD1-CD1 3.29Å; L474-I485 HydrophobicContact CD1-CG1 4.24Å; L474-I485 HydrophobicContact CG-CD1 3.63Å; L474-I485 HydrophobicContact CG-CG1 4.27Å
475	V	98.5	Very high	97.1	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	120	174.3	-179.7	0	0	0	0	109.4	F230 V231 L233 F376 V436 L459 V461 A481 C482	F230-V475 CarbonylContact C-O 3.59Å; F230-V475 VanDerWaalsContact CA-O 3.3Å; F230-V475 WeakPolarHBondContact CA-O 3.23Å; V231-V475 PolarHBondContact N-O 3.25Å; V231-V475 PolarHBondContact O-N 2.76Å; L233-V475 HydrophobicContact CD1-CG2 3.99Å; L233-V475 HydrophobicContact CG-CG2 4.5Å; F376-V475 HydrophobicContact CZ-CG1 4.32Å; V436-V475 HydrophobicContact CG2-CG1 4.42Å; L459-V475 HydrophobicContact CD2-CG1 3.61Å; L459-V475 HydrophobicContact CD2-CG2 4.32Å; V461-V475 HydrophobicContact CG2-CG2 4.35Å; V475-A481 WeakPolarHBondContact CA-O 3.41Å; V475-C482 HydrophobicContact CG2-CB 4.32Å
476	N	97.6	Very high	97.1	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	119.2	170.5	-178.4	-33.1	0	0	0	109.7	D228 F230 R478 S479 L480 A481	D228-N476 VanDerWaalsContact CG-ND2 3.29Å; D228-N476 PolarHBondContact OD1-ND2 3.23Å; D228-N476 PolarHBondContact OD1-OD1 2.89Å; F230-N476 HydrophobicContact CD1-CB 4.01Å; F230-N476 HydrophobicContact CE1-CB 3.77Å; N476-R478 VanDerWaalsContact C-N 3.3Å; N476-R478 PolarHBondContact O-N 3.12Å; N476-R478 WeakPolarHBondContact OD1-CB 3.36Å; N476-R478 PolarHBondContact OD1-N 2.86Å; N476-S479 WeakPolarHBondContact CB-OG 3.39Å; N476-S479 PolarHBondContact OD1-N 3.34Å; N476-L480 VanDerWaalsContact O-CA 3.24Å; N476-L480 WeakPolarHBondContact O-CA 3.35Å; N476-L480 PolarHBondContact O-N 3.15Å; N476-A481 PolarHBondContact N-O 3.31Å
477	L	96.6	Very high	97	Very high	6 Å²	6	31.3 Å²	31.3	3%	0.031	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-21.3	-175.6	-61.5	-171.5	0	0	0	114.2	L225 R229 V231 I371 D372 V374 F376	L225-L477 HydrophobicContact CD1-CB 3.63Å; R229-L477 HydrophobicContact CB-CB 4.37Å; R229-L477 HydrophobicContact CB-CD1 4.1Å; R229-L477 HydrophobicContact CB-CG 4.37Å; R229-L477 WeakPolarHBondContact O-CG 3.4Å; R229-L477 PolarHBondContact O-N 3.07Å; V231-L477 HydrophobicContact CG2-CD1 4.04Å; V231-L477 HydrophobicContact CG2-CD2 3.84Å; V231-L477 HydrophobicContact CG2-CG 4.17Å; I371-L477 HydrophobicContact CG2-CD1 3.85Å; D372-L477 HydrophobicContact CB-CD1 4.11Å; V374-L477 HydrophobicContact CB-CD2 4.23Å; V374-L477 HydrophobicContact CG1-CD2 4.34Å; V374-L477 HydrophobicContact CG2-CB 4.08Å; V374-L477 HydrophobicContact CG2-CD2 4.28Å; F376-L477 HydrophobicContact CE2-CD2 3.53Å; F376-L477 HydrophobicContact CZ-CD2 3.46Å; F376-L477 VanDerWaalsContact CZ-CD2 3.46Å
478	R	95.2	Very high	97	Very high	106 Å²	106	34 Å²	34	40%	0.4	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-40.1	-179.9	-172.2	175.8	67.5	163.4	3.8	112.1	L225 D226 D228 N476	L225-R478 HydrophobicContact CB-CB 4.23Å; L225-R478 HydrophobicContact CB-CG 4.26Å; L225-R478 WeakPolarHBondContact O-CD 3.29Å; L225-R478 WeakPolarHBondContact O-CG 3.45Å; D226-R478 PolarHBondContact O-NH1 3.48Å; D228-R478 IonicContact OD1-CZ 2.84Å; D228-R478 IonicContact OD1-NE 2.76Å; D228-R478 PolarHBondContact OD1-NE 2.92Å; D228-R478 IonicContact OD1-NH2 3.8Å; D228-R478 PolarHBondContact OD1-NH2 3.03Å; D228-R478 IonicContact OD2-CZ 3.25Å; D228-R478 IonicContact OD2-NE 3.88Å; D228-R478 IonicContact OD2-NH2 2.77Å; D228-R478 PolarHBondContact OD2-NH2 3.18Å; N476-R478 VanDerWaalsContact C-N 3.3Å; N476-R478 PolarHBondContact O-N 3.12Å; N476-R478 WeakPolarHBondContact OD1-CB 3.36Å; N476-R478 PolarHBondContact OD1-N 2.86Å
479	S	95.1	Very high	96.7	Very high	35 Å²	35	31.5 Å²	31.5	25%	0.245	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99	-15.4	-178.9	57.6	0	0	0	0	114.7	N476 A481	N476-S479 WeakPolarHBondContact CB-OG 3.39Å; N476-S479 PolarHBondContact OD1-N 3.34Å; S479-A481 PolarHBondContact O-N 3.39Å; S479-A481 WeakPolarHBondContact OG-CB 3.43Å; S479-A481 PolarHBondContact OG-N 3.09Å
480	L	96.3	Very high	96.3	Very high	31 Å²	31	38.8 Å²	38.8	16%	0.162	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	31	-167.7	-58.9	175.7	0	0	0	112.9	V374 V436 L459 N476	V374-L480 HydrophobicContact CG1-CD2 4.02Å; V436-L480 HydrophobicContact CG2-CD2 4.03Å; L459-L480 HydrophobicContact CB-CB 4.44Å; L459-L480 WeakPolarHBondContact CD1-O 3.47Å; L459-L480 HydrophobicContact CD2-CB 4.46Å; L459-L480 WeakPolarHBondContact CD2-O 3.1Å; N476-L480 VanDerWaalsContact O-CA 3.24Å; N476-L480 WeakPolarHBondContact O-CA 3.35Å; N476-L480 PolarHBondContact O-N 3.15Å
481	A	96.7	Very high	95.7	Very high	30 Å²	30	39 Å²	39	25%	0.248	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	141.9	171.5	0	0	0	0	0	110.5	M36 V475 N476 S479	M36-A481 HydrophobicContact CE-CB 3.61Å; M36-A481 HydrophobicContact SD-CB 3.32Å; M36-A481 WeakPolarHBondContact SD-CB 3.2Å; V475-A481 WeakPolarHBondContact CA-O 3.41Å; N476-A481 PolarHBondContact N-O 3.31Å; S479-A481 PolarHBondContact O-N 3.39Å; S479-A481 WeakPolarHBondContact OG-CB 3.43Å; S479-A481 PolarHBondContact OG-N 3.09Å
482	C	98.1	Very high	94.9	Very high	20 Å²	20	43.5 Å²	43.5	14%	0.135	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	128.3	178	-170.9	0	0	0	0	110	S447 L459 V461 L474 V475	S447-C482 WeakPolarHBondContact OG-CB 3.39Å; L459-C482 HydrophobicContact CD1-CB 4.44Å; L459-C482 HydrophobicContact CD2-CB 4.37Å; V461-C482 HydrophobicContact CG2-CB 4.29Å; L474-C482 CarbonylContact O-C 3.54Å; L474-C482 VanDerWaalsContact O-CA 3.31Å; L474-C482 WeakPolarHBondContact O-CA 3.47Å; V475-C482 HydrophobicContact CG2-CB 4.32Å
483	Q	97.1	Very high	93.8	Very high	42 Å²	42	50.8 Å²	50.8	20%	0.196	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	135.5	176.6	177.7	-177.8	-6.5	0	0	110.1	M36 S38 L474	M36-Q483 HydrophobicContact CE-CB 3.49Å; M36-Q483 VanDerWaalsContact CE-CB 3.49Å; S38-Q483 PolarHBondContact OG-NE2 3.16Å; L474-Q483 PolarHBondContact N-O 2.97Å; L474-Q483 PolarHBondContact O-N 2.69Å
484	P	98	Very high	92.7	Very high	52 Å²	52	56.5 Å²	56.5	34%	0.338	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	145.8	171.7	31.4	-33.2	0	0	0	111.1	F445 T471 A472	F445-P484 HydrophobicContact CD1-CB 3.96Å; F445-P484 HydrophobicContact CD1-CG 3.91Å; F445-P484 HydrophobicContact CD2-CB 4.38Å; F445-P484 HydrophobicContact CE1-CB 4.2Å; F445-P484 HydrophobicContact CE1-CG 3.86Å; F445-P484 HydrophobicContact CG-CB 4.04Å; F445-P484 HydrophobicContact CG-CG 4.49Å; F445-P484 HydrophobicContact CZ-CB 4.5Å; F445-P484 HydrophobicContact CZ-CG 4.41Å; T471-P484 HydrophobicContact CG2-CB 3.82Å; A472-P484 CarbonylContact O-C 3.53Å; A472-P484 VanDerWaalsContact O-CA 3.29Å; A472-P484 WeakPolarHBondContact O-CA 3.35Å
485	I	97.5	Very high	91.4	Very high	30 Å²	30	63.2 Å²	63.2	15%	0.154	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	123.2	165.2	-58.7	-173.7	0	0	0	107.6	F37 T471 A472 L474 F487	F37-I485 HydrophobicContact CD1-CD1 4.05Å; F37-I485 HydrophobicContact CE1-CD1 4.15Å; T471-I485 CarbonylContact C-O 3.44Å; T471-I485 VanDerWaalsContact CA-O 3.29Å; T471-I485 WeakPolarHBondContact CA-O 3.42Å; A472-I485 PolarHBondContact N-O 3.35Å; A472-I485 PolarHBondContact O-N 3.41Å; L474-I485 HydrophobicContact CD1-CD1 3.29Å; L474-I485 HydrophobicContact CD1-CG1 4.24Å; L474-I485 HydrophobicContact CG-CD1 3.63Å; L474-I485 HydrophobicContact CG-CG1 4.27Å; I485-F487 HydrophobicContact CB-CE2 4.2Å; I485-F487 HydrophobicContact CB-CZ 4.29Å; I485-F487 HydrophobicContact CG2-CD2 4.36Å; I485-F487 HydrophobicContact CG2-CE1 3.98Å; I485-F487 HydrophobicContact CG2-CE2 3.58Å; I485-F487 HydrophobicContact CG2-CZ 3.37Å
486	S	97.6	Very high	89.9	Confident	82 Å²	82	70.5 Å²	70.5	57%	0.573	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112	139.4	178.7	-55.4	0	0	0	0	110.1	Q470 T471	Q470-S486 WeakPolarHBondContact O-CA 3.32Å; T471-S486 PolarHBondContact OG1-OG 2.8Å
487	F	96.1	Very high	88.2	Confident	17 Å²	17	77.1 Å²	77.1	8%	0.075	44%	0.441	C	S	.	.			trans	-118.1	129.8	-178.5	-56.7	-91.4	0	0	0	108.8	L252 L253 V256 F466 Q470 I485	L252-F487 HydrophobicContact CB-CB 4.25Å; L252-F487 HydrophobicContact CB-CD1 3.72Å; L252-F487 HydrophobicContact CB-CG 4.31Å; L252-F487 HydrophobicContact CD1-CB 4.39Å; L253-F487 HydrophobicContact CB-CD2 4.19Å; L253-F487 HydrophobicContact CB-CE1 4.3Å; L253-F487 HydrophobicContact CB-CE2 3.94Å; L253-F487 HydrophobicContact CB-CZ 3.97Å; L253-F487 HydrophobicContact CD1-CD2 4.41Å; L253-F487 HydrophobicContact CD1-CE2 3.47Å; L253-F487 VanDerWaalsContact CD1-CE2 3.47Å; L253-F487 HydrophobicContact CD1-CZ 3.56Å; L253-F487 HydrophobicContact CG-CE2 4.31Å; L253-F487 HydrophobicContact CG-CZ 4.4Å; V256-F487 HydrophobicContact CB-CE1 4.23Å; V256-F487 HydrophobicContact CG2-CE1 3.94Å; F466-F487 AromaticContact CE2-CD2 3.83Å; F466-F487 HydrophobicContact CE2-CD2 3.83Å; F466-F487 HydrophobicContact CE2-CE2 4.22Å; F466-F487 AromaticContact CZ-CD2 3.95Å; F466-F487 HydrophobicContact CZ-CD2 3.95Å; Q470-F487 WeakPolarHBondContact CB-O 3.19Å; Q470-F487 PolarHBondContact O-N 3.31Å; Q470-F487 PolarHBondContact OE1-O 3.11Å; I485-F487 HydrophobicContact CB-CE2 4.2Å; I485-F487 HydrophobicContact CB-CZ 4.29Å; I485-F487 HydrophobicContact CG2-CD2 4.36Å; I485-F487 HydrophobicContact CG2-CE1 3.98Å; I485-F487 HydrophobicContact CG2-CE2 3.58Å; I485-F487 HydrophobicContact CG2-CZ 3.37Å
488	S	93.8	Very high	86.1	Confident	93 Å²	93	80.8 Å²	80.8	65%	0.65	48%	0.48	S	S	*	.			trans	-143.5	148.8	174.9	56.3	0	0	0	0	110.6
489	G	89.1	Confident	84	Confident	25 Å²	25	78.8 Å²	78.8	26%	0.258	49%	0.493	S	S	.	.			trans	-103.5	169.2	166.3	0	0	0	0	0	110.3
490	F	87.9	Confident	81.7	Confident	196 Å²	196	84.3 Å²	84.3	86%	0.86	52%	0.519	S	S	*	.			trans	-73.5	133.5	167.5	63	-88.5	0	0	0	109.2
491	G	84.4	Confident	79.7	Confident	34 Å²	34	86.4 Å²	86.4	35%	0.351	55%	0.548	S	S	.	.			trans	-89.3	-170	172.6	0	0	0	0	0	111.9	E493	G491-E493 PolarHBondContact O-N 2.92Å
492	A	81.9	Confident	77.1	Confident	109 Å²	109	92.5 Å²	92.5	90%	0.901	58%	0.575	S	S	*	*	S	Bend	trans	-75.4	70.6	166.1	0	0	0	0	0	109.9
493	E	75.6	Confident	74.4	Confident	154 Å²	154	94.6 Å²	94.6	72%	0.72	60%	0.6	S	S	*	*			trans	-95.3	109.8	169.7	-77.2	-177.7	150.2	0	0	108.8	G491	G491-E493 PolarHBondContact O-N 2.92Å
494	D	75.6	Confident	71.8	Confident	119 Å²	119	102.4 Å²	102.4	64%	0.636	66%	0.655	S	S	*	*			trans	-93.1	90.2	170.5	-73.8	-37.2	0	0	0	108.8	D496 L497	D494-D496 PolarHBondContact O-N 3.26Å; D494-L497 HydrophobicContact CB-CD1 3.7Å; D494-L497 HydrophobicContact CB-CG 3.9Å; D494-L497 PolarHBondContact O-N 3.07Å
495	D	71.1	Confident	70.5	Confident	146 Å²	146	104.9 Å²	104.9	78%	0.781	67%	0.67	S	S	*	*	G	3₁₀ helix	trans	-60.4	-15.8	177.7	-73.4	-34.5	0	0	0	113.4
496	D	66.8	Low	69.1	Low	153 Å²	153	108.8 Å²	108.8	82%	0.818	70%	0.698	S	S	*	*	G	3₁₀ helix	trans	-83.8	-8.7	-178.1	-69.8	-35.3	0	0	0	114.3	D494 G498	D494-D496 PolarHBondContact O-N 3.26Å; D496-G498 VanDerWaalsContact C-N 3.27Å; D496-G498 PolarHBondContact O-N 3.37Å
497	L	61.7	Low	67.5	Low	140 Å²	140	110.3 Å²	110.3	73%	0.733	70%	0.704	S	S	*	*	G	3₁₀ helix	trans	-80.4	-2.1	-179.7	-68.4	174.5	0	0	0	114.1	D494	D494-L497 HydrophobicContact CB-CD1 3.7Å; D494-L497 HydrophobicContact CB-CG 3.9Å; D494-L497 PolarHBondContact O-N 3.07Å
498	G	52.2	Low	65.8	Low	82 Å²	82	115.8 Å²	115.8	85%	0.845	74%	0.742	S	S	*	*	G	3₁₀ helix	trans	-82.1	-1.7	177.1	0	0	0	0	0	116.1	D496	D496-G498 VanDerWaalsContact C-N 3.27Å; D496-G498 PolarHBondContact O-N 3.37Å
499	G	50.8	Low	64	Low	65 Å²	65	117.3 Å²	117.3	67%	0.67	75%	0.747	S	S	*	*	S	Bend	trans	-108	-13.4	-171.9	0	0	0	0	0	116.9
500	L	47.6	Very low	62.4	Low	150 Å²	150	123.4 Å²	123.4	79%	0.785	78%	0.78	S	S	*	*			trans	-107.1	80.1	-178.6	-73.1	167.7	0	0	0	110.1	L502	L500-L502 PolarHBondContact O-N 2.97Å
501	G	53.3	Low	60.5	Low	75 Å²	75	118.2 Å²	118.2	77%	0.773	77%	0.774	S	S	*	*			trans	-56.5	103.4	157.6	0	0	0	0	0	109.5
502	L	42.6	Very low	58.7	Low	158 Å²	158	124.7 Å²	124.7	83%	0.827	81%	0.807	S	S	*	*			trans	-129.6	86.2	158.5	-72.6	173.8	0	0	0	107.3	L500	L500-L502 PolarHBondContact O-N 2.97Å
503	G	41.5	Very low	56.8	Low	64 Å²	64	126 Å²	126	66%	0.66	80%	0.799	S	S	*	*			trans	-79.8	167.4	138.4	0	0	0	0	0	108.9
504	P	42.4	Very low	55.1	Low	206 Å²	206	123.5 Å²	123.5	100%	1.338	81%	0.806	S	S	*	*			cis	-100.8	0	12.8	35.9	-27.6	0	0	0	115.2

Retrieved 504 of 504 residues in 246.3 ms (Link to these results)

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