A0A077ZAX3_TRITR Loading...

SH2 domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZAX3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 599 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.3	Very low	32.8	Very low	253 Å²	253	173.1 Å²	173.1	100%	1.246	85%	0.854	S	S	*	*				0	115.3	0	-68.6	174.6	178.6	0	0	107.6
2	G	37.1	Very low	32.2	Very low	74 Å²	74	177.7 Å²	177.7	76%	0.763	86%	0.855	S	S	*	*			trans	-99.6	-177.8	161.3	0	0	0	0	0	109.6
3	P	50	Low	32.1	Very low	126 Å²	126	173.5 Å²	173.5	82%	0.818	85%	0.853	S	S	*	*			cis	-131.8	-148.3	5.6	43.8	-24.5	0	0	0	110.5
4	P	45.5	Very low	31.7	Very low	108 Å²	108	167.8 Å²	167.8	70%	0.701	85%	0.848	S	S	*	*			cis	-128.8	153.5	-14.7	34.5	-14.3	0	0	0	114.4
5	K	28.9	Very low	31.6	Very low	194 Å²	194	170.2 Å²	170.2	84%	0.843	85%	0.851	S	S	*	*				43.7	115.1	86	-72.1	-172.7	179.2	-179.2	0	117.1
6	R	31.9	Very low	31.3	Very low	234 Å²	234	169.6 Å²	169.6	88%	0.883	85%	0.845	S	S	*	*				172.4	127.4	109.9	-94.2	176.4	-179.5	178.1	0.6	113.2
7	Y	25.2	Very low	30.9	Very low	226 Å²	226	168.8 Å²	168.8	89%	0.886	84%	0.84	S	S	*	*			trans	-77.7	148.7	157.4	-76.8	-103	0	0	0	110
8	I	31.1	Very low	30.8	Very low	154 Å²	154	169.3 Å²	169.3	79%	0.79	84%	0.842	S	S	*	*			trans	-164.1	105	147.6	-81.9	130.2	0	0	0	105.8
9	F	24.4	Very low	30.3	Very low	198 Å²	198	165.9 Å²	165.9	87%	0.868	84%	0.835	S	S	*	*				76.6	116.2	84.5	-122.5	-92.9	0	0	0	115.7
10	W	19.8	Very low	30.2	Very low	218 Å²	218	165.4 Å²	165.4	83%	0.826	83%	0.834	S	S	*	*			trans	-65.1	148.2	167.4	-79.9	29.6	0	0	0	112.2
11	P	31.1	Very low	29.9	Very low	119 Å²	119	166 Å²	166	77%	0.773	84%	0.836	S	S	*	*			trans	-114.9	117	151.8	30	-15.2	0	0	0	111.2
12	R	25.5	Very low	29.7	Very low	228 Å²	228	161.7 Å²	161.7	86%	0.86	82%	0.817	S	S	*	*			trans	-81.1	116	149.2	-84.9	179.2	166.3	-178.5	-3.7	107.2
13	C	30.5	Very low	29.4	Very low	123 Å²	123	164.1 Å²	164.1	83%	0.831	82%	0.817	S	S	*	*			trans	-138.4	109.2	155.6	-86.8	0	0	0	0	108.8
14	A	26.1	Very low	28.4	Very low	94 Å²	94	168.1 Å²	168.1	78%	0.777	82%	0.821	S	S	*	*			trans	-68.4	136.8	157.1	0	0	0	0	0	108.7
15	F	31.3	Very low	27.6	Very low	204 Å²	204	166.7 Å²	166.7	90%	0.895	82%	0.819	S	S	*	*			trans	-146.5	123.2	151	-116.7	-84.2	0	0	0	111.2
16	Q	25.8	Very low	27.5	Very low	161 Å²	161	163.3 Å²	163.3	75%	0.752	82%	0.817	S	S	*	*			trans	-42.5	151.6	168.2	-110.7	156.2	-42.7	0	0	117
17	M	24.7	Very low	27.3	Very low	156 Å²	156	160 Å²	160	77%	0.768	82%	0.816	S	S	*	*			trans	53	103.6	140.4	-78.8	170.7	89.9	0	0	118.5
18	M	28.8	Very low	27.4	Very low	177 Å²	177	157.5 Å²	157.5	87%	0.872	81%	0.812	S	S	*	*			trans	-128.9	95.1	143.9	-143	174.3	119.7	0	0	109.2
19	C	22.2	Very low	27.3	Very low	106 Å²	106	158.3 Å²	158.3	72%	0.716	82%	0.817	S	S	*	*			trans	-68.4	121.3	157.3	-76.4	0	0	0	0	108.1
20	L	28.9	Very low	27.4	Very low	155 Å²	155	156.1 Å²	156.1	81%	0.812	81%	0.814	S	S	*	*			trans	-157.4	118.2	146.7	-113.6	139.3	0	0	0	110.8
21	M	23.8	Very low	27.7	Very low	177 Å²	177	150.7 Å²	150.7	87%	0.872	81%	0.806	S	S	*	*			trans	-58.2	129.1	173.8	-57.4	-169.4	-73.5	0	0	111.1
22	L	31.9	Very low	27.5	Very low	163 Å²	163	156.9 Å²	156.9	85%	0.853	81%	0.814	S	S	*	*			trans	-148.1	109.3	150.5	-89.8	172.8	0	0	0	110.7
23	V	30.9	Very low	27.7	Very low	125 Å²	125	151.6 Å²	151.6	76%	0.758	81%	0.808	S	S	*	*			trans	69.8	113.3	141.6	-167.5	0	0	0	0	119.4	A25	V23-A25 PolarHBondContact O-N 3.44Å
24	K	27.8	Very low	27.8	Very low	210 Å²	210	152.5 Å²	152.5	91%	0.913	80%	0.797	S	S	*	*			trans	-42.7	109.2	159.8	-65	172.7	174.8	179	0	112.1
25	A	29	Very low	27.9	Very low	79 Å²	79	153.3 Å²	153.3	65%	0.653	80%	0.795	S	S	*	*			trans	-127.1	128.2	141.9	0	0	0	0	0	106.1	V23 L27	V23-A25 PolarHBondContact O-N 3.44Å; A25-L27 PolarHBondContact O-N 3.43Å
26	P	27.5	Very low	28	Very low	122 Å²	122	149 Å²	149	79%	0.792	78%	0.778	S	S	*	*			trans	-62.2	107.9	170.9	26.2	-29.1	0	0	0	106.2	Q28	P26-Q28 PolarHBondContact O-N 3.17Å
27	L	27	Very low	28.4	Very low	165 Å²	165	151.5 Å²	151.5	86%	0.864	78%	0.78	S	S	*	*			trans	-55.4	98.5	161.6	-106.3	134.4	0	0	0	105	A25 L29	A25-L27 PolarHBondContact O-N 3.43Å; L27-L29 PolarHBondContact O-N 2.97Å
28	Q	28.4	Very low	28.7	Very low	173 Å²	173	154.6 Å²	154.6	81%	0.808	78%	0.783	S	S	*	*			trans	-48.5	115.2	161.4	-74.1	-179.9	-17.1	0	0	104.8	P26 L30	P26-Q28 PolarHBondContact O-N 3.17Å; Q28-L30 PolarHBondContact O-N 2.61Å
29	L	27.8	Very low	29.1	Very low	171 Å²	171	148.6 Å²	148.6	90%	0.895	76%	0.758	S	S	*	*			trans	-54.4	94.4	165.7	-76.6	154.3	0	0	0	105.2	L27 P31	L27-L29 PolarHBondContact O-N 2.97Å; L29-P31 VanDerWaalsContact O-N 3.15Å
30	L	27	Very low	29.8	Very low	153 Å²	153	150 Å²	150	80%	0.801	77%	0.769	S	S	*	*			trans	-49.7	124.5	161.2	-81.3	163.1	0	0	0	104.7	Q28 R32	Q28-L30 PolarHBondContact O-N 2.61Å; L30-R32 PolarHBondContact O-N 2.79Å
31	P	26.8	Very low	30.3	Very low	103 Å²	103	147.8 Å²	147.8	67%	0.669	76%	0.757	S	S	*	*			trans	-52	126.8	176.3	-3.4	6.3	0	0	0	106.1	L29 T33	L29-P31 VanDerWaalsContact O-N 3.15Å; P31-T33 PolarHBondContact O-N 3.2Å
32	R	26.2	Very low	30.6	Very low	249 Å²	249	142.7 Å²	142.7	94%	0.94	75%	0.751	S	S	*	*			trans	-64.3	76.1	169.4	-74.2	179.8	169	-179.8	-2.9	107	L30 K34	L30-R32 PolarHBondContact O-N 2.79Å; R32-K34 PolarHBondContact O-N 2.87Å
33	T	30.3	Very low	30.7	Very low	117 Å²	117	140.9 Å²	140.9	72%	0.718	74%	0.738	S	S	*	*			trans	-60.5	108.7	158.6	49.4	0	0	0	0	104.4	P31 P35	P31-T33 PolarHBondContact O-N 3.2Å; T33-P35 WeakPolarHBondContact O-CD 3.13Å; T33-P35 VanDerWaalsContact O-N 3.08Å
34	K	31.5	Very low	30.8	Very low	142 Å²	142	143.5 Å²	143.5	62%	0.617	73%	0.734	S	S	*	*			trans	-43.9	121.4	172.6	-91.2	178.5	172.5	175.9	0	106.7	R32 E36 E157	R32-K34 PolarHBondContact O-N 2.87Å; K34-E36 PolarHBondContact O-N 3.39Å; K34-E157 VanDerWaalsContact NZ-CD 3.31Å; K34-E157 IonicContact NZ-OE1 2.75Å; K34-E157 PolarHBondContact NZ-OE1 3.22Å; K34-E157 IonicContact NZ-OE2 2.71Å; K34-E157 PolarHBondContact NZ-OE2 3.45Å
35	P	28.2	Very low	31.4	Very low	112 Å²	112	134 Å²	134	73%	0.727	69%	0.694	S	S	*	*			trans	-59.9	131.2	178.1	20.7	-29.3	0	0	0	109	T33 R37	T33-P35 WeakPolarHBondContact O-CD 3.13Å; T33-P35 VanDerWaalsContact O-N 3.08Å; P35-R37 PolarHBondContact O-N 3.08Å
36	E	34.5	Very low	31.9	Very low	114 Å²	114	131.9 Å²	131.9	53%	0.533	67%	0.67	S	S	.	*			trans	-49	99.3	172.8	-91.6	175.5	168.7	0	0	109	K34 R38 K51	K34-E36 PolarHBondContact O-N 3.39Å; E36-R38 PolarHBondContact O-N 2.93Å; E36-K51 IonicContact OE1-NZ 3.59Å; E36-K51 PolarHBondContact OE1-NZ 3.16Å
37	R	34.1	Very low	32.5	Very low	213 Å²	213	128.8 Å²	128.8	80%	0.804	65%	0.647	S	S	*	*			trans	-71.3	102.5	169.6	-79.1	-173.9	175.4	179.9	0.4	107.1	P35 P39	P35-R37 PolarHBondContact O-N 3.08Å; R37-P39 WeakPolarHBondContact O-CD 3.37Å
38	R	30.9	Very low	33	Very low	220 Å²	220	122.3 Å²	122.3	83%	0.83	62%	0.615	S	S	*	*			trans	-63.7	125.1	163.6	-68.1	-175	179.8	-174.4	-0.9	108.1	E36 S40	E36-R38 PolarHBondContact O-N 2.93Å; R38-S40 PolarHBondContact O-N 2.88Å
39	P	36.2	Very low	33.7	Very low	52 Å²	52	117.8 Å²	117.8	34%	0.338	59%	0.591	S	S	.	*			trans	-56	135.3	167.7	-24.6	35.5	0	0	0	109.9	R37 D41	R37-P39 WeakPolarHBondContact O-CD 3.37Å; P39-D41 WeakPolarHBondContact CB-OD1 3.45Å; P39-D41 PolarHBondContact O-N 3.08Å
40	S	37	Very low	34.3	Very low	135 Å²	135	110.4 Å²	110.4	94%	0.944	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.7	-5.5	-179.8	50	0	0	0	0	113.9	R38	R38-S40 PolarHBondContact O-N 2.88Å
41	D	39.8	Very low	34.9	Very low	108 Å²	108	110.3 Å²	110.3	58%	0.578	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	7.2	-176	60.3	1.4	0	0	0	113.8	P39 H43	P39-D41 WeakPolarHBondContact CB-OD1 3.45Å; P39-D41 PolarHBondContact O-N 3.08Å; D41-H43 PolarHBondContact O-N 3.23Å; D41-H43 PolarHBondContact OD1-N 2.92Å
42	G	31	Very low	35.5	Very low	71 Å²	71	108.9 Å²	108.9	73%	0.732	54%	0.543	S	S	*	.	S	Bend	trans	74.1	4.1	174.3	0	0	0	0	0	114.7
43	H	33.8	Very low	36.3	Very low	125 Å²	125	100.1 Å²	100.1	58%	0.579	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-80.8	133.9	170.4	-79	-73.7	0	0	0	110.9	D41 S45	D41-H43 PolarHBondContact O-N 3.23Å; D41-H43 PolarHBondContact OD1-N 2.92Å; H43-S45 PolarHBondContact O-N 3.44Å
44	W	32.7	Very low	36.6	Very low	179 Å²	179	97.4 Å²	97.4	68%	0.678	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-53.7	122.9	171.8	-70.2	88.5	0	0	0	109.9	R49	W44-R49 HydrophobicContact CB-CG 3.95Å; W44-R49 PolarHBondContact O-NE 3.13Å
45	S	40.6	Very low	37	Very low	11 Å²	11	94.2 Å²	94.2	8%	0.077	50%	0.499	C	S	.	.	P	Polyproline II helix	trans	-63.5	151.7	176.1	89.7	0	0	0	0	110.7	H43 L47 S48 R49 Y155	H43-S45 PolarHBondContact O-N 3.44Å; S45-L47 VanDerWaalsContact C-N 3.26Å; S45-L47 PolarHBondContact O-N 2.88Å; S45-S48 WeakPolarHBondContact O-CA 3.37Å; S45-S48 WeakPolarHBondContact O-CB 3.42Å; S45-S48 PolarHBondContact O-N 3.12Å; S45-S48 PolarHBondContact OG-N 3.04Å; S45-S48 PolarHBondContact OG-OG 3.5Å; S45-R49 PolarHBondContact O-N 3.31Å; S45-R49 VanDerWaalsContact O-N 3.09Å; S45-Y155 WeakPolarHBondContact CB-OH 3.49Å
46	F	39.3	Very low	37.5	Very low	35 Å²	35	93.8 Å²	93.8	15%	0.154	49%	0.494	C	S	.	.	H	α-helix	trans	-44	-49.3	177	178.2	-93.4	0	0	0	112.2	S48 R49 V50 C59 F142 Y151 Y155	F46-S48 PolarHBondContact O-N 3.28Å; F46-R49 PolarHBondContact O-N 3.36Å; F46-V50 WeakPolarHBondContact O-CG2 3.47Å; F46-V50 PolarHBondContact O-N 2.92Å; F46-C59 HydrophobicContact CE1-CB 4.01Å; F46-C59 VanDerWaalsContact CZ-C 3.5Å; F46-C59 HydrophobicContact CZ-CB 3.74Å; F46-C59 VanDerWaalsContact CZ-O 3.31Å; F46-C59 WeakPolarHBondContact CZ-O 3.42Å; F46-F142 AromaticContact CE1-CE1 3.93Å; F46-F142 HydrophobicContact CE1-CE1 3.93Å; F46-F142 HydrophobicContact CE1-CZ 4.45Å; F46-F142 HydrophobicContact CZ-CD1 4.43Å; F46-F142 AromaticContact CZ-CE1 3.65Å; F46-F142 HydrophobicContact CZ-CE1 3.65Å; F46-Y151 AromaticContact CD1-CD2 3.75Å; F46-Y151 HydrophobicContact CD1-CD2 3.75Å; F46-Y151 HydrophobicContact CD1-CE2 4.31Å; F46-Y151 AromaticContact CE1-CD2 3.81Å; F46-Y151 HydrophobicContact CE1-CD2 3.81Å; F46-Y151 HydrophobicContact CG-CD2 4.43Å; F46-Y155 HydrophobicContact CB-CE2 3.64Å; F46-Y155 VanDerWaalsContact CB-OH 3.24Å; F46-Y155 WeakPolarHBondContact CB-OH 3.45Å; F46-Y155 HydrophobicContact CD1-CE2 4.36Å; F46-Y155 HydrophobicContact CG-CE2 4.23Å; F46-Y155 PolarHBondContact N-OH 3.22Å
47	L	38.8	Very low	38	Very low	56 Å²	56	90.7 Å²	90.7	29%	0.293	48%	0.481	S	S	.	.	H	α-helix	trans	-70.3	-30.3	178.3	-65.8	172.2	0	0	0	113.6	S45 R49 V50 K51 L140	S45-L47 VanDerWaalsContact C-N 3.26Å; S45-L47 PolarHBondContact O-N 2.88Å; L47-R49 VanDerWaalsContact C-N 3.3Å; L47-V50 PolarHBondContact O-N 3.13Å; L47-K51 PolarHBondContact O-N 2.87Å; L47-L140 HydrophobicContact CD2-CD2 4.28Å
48	S	38.7	Very low	38.7	Very low	29 Å²	29	81.8 Å²	81.8	20%	0.203	45%	0.45	C	S	.	.	H	α-helix	trans	-70.4	-28.7	176.7	-48.6	0	0	0	0	111.8	S45 F46 A52	S45-S48 WeakPolarHBondContact O-CA 3.37Å; S45-S48 WeakPolarHBondContact O-CB 3.42Å; S45-S48 PolarHBondContact O-N 3.12Å; S45-S48 PolarHBondContact OG-N 3.04Å; S45-S48 PolarHBondContact OG-OG 3.5Å; F46-S48 PolarHBondContact O-N 3.28Å; S48-A52 WeakPolarHBondContact O-CB 3.48Å; S48-A52 PolarHBondContact O-N 2.93Å; S48-A52 VanDerWaalsContact O-N 3.08Å
49	R	42	Very low	39.3	Very low	78 Å²	78	71.8 Å²	71.8	29%	0.294	41%	0.414	S	S	.	.	H	α-helix	trans	-73.1	-39.2	173.6	-65.7	-173.4	-158.7	-171.9	4.1	112.4	W44 S45 F46 L47 K51 A52 T53	W44-R49 HydrophobicContact CB-CG 3.95Å; W44-R49 PolarHBondContact O-NE 3.13Å; S45-R49 PolarHBondContact O-N 3.31Å; S45-R49 VanDerWaalsContact O-N 3.09Å; F46-R49 PolarHBondContact O-N 3.36Å; L47-R49 VanDerWaalsContact C-N 3.3Å; R49-K51 VanDerWaalsContact C-N 3.29Å; R49-K51 PolarHBondContact O-N 2.83Å; R49-A52 PolarHBondContact O-N 3.26Å; R49-T53 WeakPolarHBondContact O-CG2 3.23Å; R49-T53 PolarHBondContact O-N 3.33Å; R49-T53 PolarHBondContact O-OG1 3.32Å
50	V	40.4	Very low	40	Very low	16 Å²	16	69.8 Å²	69.8	10%	0.097	40%	0.402	C	S	.	.	H	α-helix	trans	-58.4	-42.2	174	176.4	0	0	0	0	111	F46 L47	F46-V50 WeakPolarHBondContact O-CG2 3.47Å; F46-V50 PolarHBondContact O-N 2.92Å; L47-V50 PolarHBondContact O-N 3.13Å
51	K	39.5	Very low	40.7	Very low	152 Å²	152	63.8 Å²	63.8	66%	0.661	36%	0.359	S	S	*	.	H	α-helix	trans	-71.6	-37	175.3	-72.4	-178.3	-176.8	170.3	0	113.7	E36 L47 R49	E36-K51 IonicContact OE1-NZ 3.59Å; E36-K51 PolarHBondContact OE1-NZ 3.16Å; L47-K51 PolarHBondContact O-N 2.87Å; R49-K51 VanDerWaalsContact C-N 3.29Å; R49-K51 PolarHBondContact O-N 2.83Å
52	A	41	Very low	41.5	Very low	73 Å²	73	59.9 Å²	59.9	60%	0.603	34%	0.338	S	S	*	.	H	α-helix	trans	-73.8	-28.4	-176.7	0	0	0	0	0	113.4	S48 R49	S48-A52 WeakPolarHBondContact O-CB 3.48Å; S48-A52 PolarHBondContact O-N 2.93Å; S48-A52 VanDerWaalsContact O-N 3.08Å; R49-A52 PolarHBondContact O-N 3.26Å
53	T	42.6	Very low	43.1	Very low	65 Å²	65	64.7 Å²	64.7	40%	0.399	34%	0.335	S	S	.	.	S	Bend	trans	-89.3	-6	-179	52.7	0	0	0	0	113.6	R49 H55	R49-T53 WeakPolarHBondContact O-CG2 3.23Å; R49-T53 PolarHBondContact O-N 3.33Å; R49-T53 PolarHBondContact O-OG1 3.32Å; T53-H55 PolarHBondContact O-CD2 3.47Å; T53-H55 PolarHBondContact O-N 3.08Å
54	G	35.1	Very low	45.1	Very low	59 Å²	59	63 Å²	63	61%	0.608	33%	0.327	S	S	*	.	S	Bend	trans	69	-13	-178	0	0	0	0	0	114.7	V56	G54-V56 PolarHBondContact O-N 3.33Å; G54-V56 VanDerWaalsContact O-N 3.08Å
55	H	41.9	Very low	47.5	Very low	75 Å²	75	56.1 Å²	56.1	35%	0.347	30%	0.304	S	S	.	.			trans	-80.3	84.2	171.2	-61	-68.2	0	0	0	109.9	T53 D57 D58 D475	T53-H55 PolarHBondContact O-CD2 3.47Å; T53-H55 PolarHBondContact O-N 3.08Å; H55-D57 PolarHBondContact O-N 3.13Å; H55-D58 HydrophobicContact CB-CB 3.63Å; H55-D58 PolarHBondContact O-N 3.22Å; H55-D58 VanDerWaalsContact O-N 3.13Å; H55-D475 IonicContact CE1-OD1 2.83Å; H55-D475 PolarHBondContact CE1-OD1 2.91Å; H55-D475 VanDerWaalsContact CE1-OD1 3.27Å; H55-D475 IonicContact NE2-OD1 3.25Å
56	V	37.8	Very low	49.7	Very low	103 Å²	103	55.7 Å²	55.7	62%	0.624	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-22.5	175	-178.5	0	0	0	0	112.2	G54	G54-V56 PolarHBondContact O-N 3.33Å; G54-V56 VanDerWaalsContact O-N 3.08Å
57	D	45.5	Very low	52.1	Low	50 Å²	50	54.1 Å²	54.1	27%	0.267	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-5.1	-175.9	-64	-35.9	0	0	0	114.6	H55 C59 R141 F551	H55-D57 PolarHBondContact O-N 3.13Å; D57-C59 PolarHBondContact O-N 2.94Å; D57-R141 WeakPolarHBondContact OD1-CD 3.43Å; D57-R141 IonicContact OD1-CZ 2.66Å; D57-R141 IonicContact OD1-NE 2.81Å; D57-R141 IonicContact OD1-NH1 3.49Å; D57-R141 PolarHBondContact OD1-NH1 3.37Å; D57-R141 IonicContact OD2-NH1 2.93Å; D57-F551 HydrophobicContact CB-CD1 4.41Å; D57-F551 HydrophobicContact CB-CE1 3.56Å; D57-F551 HydrophobicContact CB-CE2 4.24Å; D57-F551 HydrophobicContact CB-CZ 3.47Å; D57-F551 VanDerWaalsContact CB-CZ 3.47Å; D57-F551 WeakPolarHBondContact O-CE2 3.43Å; D57-F551 WeakPolarHBondContact O-CZ 3.24Å
58	D	47.4	Very low	54.6	Low	25 Å²	25	55.1 Å²	55.1	13%	0.134	30%	0.295	C	S	.	.			trans	-97.6	63.1	-179.7	-158.5	29.5	0	0	0	110.4	H55 G60 Q555	H55-D58 HydrophobicContact CB-CB 3.63Å; H55-D58 PolarHBondContact O-N 3.22Å; H55-D58 VanDerWaalsContact O-N 3.13Å; D58-G60 PolarHBondContact O-N 3.39Å; D58-Q555 PolarHBondContact OD1-NE2 2.8Å; D58-Q555 PolarHBondContact OD2-NE2 2.65Å
59	C	45.1	Very low	57.2	Low	11 Å²	11	53.9 Å²	53.9	7%	0.074	29%	0.286	C	S	.	.			trans	-60.3	78	173.5	-88.5	0	0	0	0	111.7	F46 D57 L140 F142	F46-C59 HydrophobicContact CE1-CB 4.01Å; F46-C59 VanDerWaalsContact CZ-C 3.5Å; F46-C59 HydrophobicContact CZ-CB 3.74Å; F46-C59 VanDerWaalsContact CZ-O 3.31Å; F46-C59 WeakPolarHBondContact CZ-O 3.42Å; D57-C59 PolarHBondContact O-N 2.94Å; C59-L140 PolarHBondContact SG-O 3.09Å; C59-F142 HydrophobicContact CB-CD1 4.43Å
60	G	51.1	Low	59.7	Low	9 Å²	9	50.6 Å²	50.6	9%	0.093	27%	0.274	C	S	.	.			trans	75.8	88.3	153.7	0	0	0	0	0	115.7	D58 L62	D58-G60 PolarHBondContact O-N 3.39Å; G60-L62 PolarHBondContact O-N 3.27Å
61	L	50.9	Low	62.1	Low	9 Å²	9	51 Å²	51	5%	0.047	28%	0.275	C	S	.	.			trans	-53.3	126.1	149	-72.9	163.9	0	0	0	109.4	Y63 L65 V471 Y473 Q555	L61-Y63 PolarHBondContact O-N 3.27Å; L61-L65 WeakPolarHBondContact CD2-O 3.41Å; L61-V471 HydrophobicContact CD1-CB 3.84Å; L61-V471 HydrophobicContact CD1-CG1 3.71Å; L61-V471 HydrophobicContact CD1-CG2 4.34Å; L61-V471 HydrophobicContact CD2-CB 4.06Å; L61-V471 HydrophobicContact CD2-CG1 4.32Å; L61-V471 HydrophobicContact CD2-CG2 3.62Å; L61-Y473 WeakPolarHBondContact CB-OH 3.28Å; L61-Y473 HydrophobicContact CD1-CD1 4.22Å; L61-Y473 HydrophobicContact CD1-CE1 3.3Å; L61-Y473 HydrophobicContact CD1-CE2 4.13Å; L61-Y473 WeakPolarHBondContact CD1-OH 3.31Å; L61-Q555 HydrophobicContact CD2-CG 4.21Å
62	L	57	Low	64.6	Low	26 Å²	26	46.3 Å²	46.3	14%	0.136	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-69.9	92.9	176.4	-68.9	158.8	0	0	0	109.8	G60 H64 L65 E146 E150	G60-L62 PolarHBondContact O-N 3.27Å; L62-H64 PolarHBondContact O-N 3.41Å; L62-H64 VanDerWaalsContact O-N 3.16Å; L62-L65 HydrophobicContact CB-CB 4.32Å; L62-L65 PolarHBondContact N-O 3.01Å; L62-L65 VanDerWaalsContact O-CB 3.26Å; L62-L65 WeakPolarHBondContact O-CB 3.36Å; L62-L65 WeakPolarHBondContact O-CG 3.33Å; L62-L65 PolarHBondContact O-N 3.08Å; L62-E146 HydrophobicContact CD1-CG 4.39Å; L62-E150 WeakPolarHBondContact CD1-OE1 3.29Å; L62-E150 WeakPolarHBondContact CD1-OE2 3.09Å; L62-E150 HydrophobicContact CD2-CB 4Å; L62-E150 HydrophobicContact CD2-CG 4Å; L62-E150 VanDerWaalsContact CD2-OE1 3.25Å; L62-E150 WeakPolarHBondContact CD2-OE1 3.36Å; L62-E150 WeakPolarHBondContact CD2-OE2 3.34Å; L62-E150 WeakPolarHBondContact CG-OE2 3.48Å
63	Y	64.3	Low	67	Low	172 Å²	172	42.9 Å²	42.9	68%	0.675	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.8	40.2	-179.6	-50.1	-88.3	0	0	0	111.8	L61 L65	L61-Y63 PolarHBondContact O-N 3.27Å; Y63-L65 VanDerWaalsContact C-N 3.32Å; Y63-L65 PolarHBondContact O-N 3.13Å
64	H	75.2	Confident	69.3	Low	89 Å²	89	41.2 Å²	41.2	41%	0.412	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.3	9.3	-175.8	-42.4	-68.5	0	0	0	115.8	L62 N470 V471 Y473	L62-H64 PolarHBondContact O-N 3.41Å; L62-H64 VanDerWaalsContact O-N 3.16Å; H64-N470 WeakPolarHBondContact O-CA 3.21Å; H64-V471 PolarHBondContact O-N 3.38Å; H64-Y473 HydrophobicContact CB-CE2 4.32Å; H64-Y473 AromaticContact CE1-CE2 3.97Å; H64-Y473 AromaticContact ND1-CE2 3.13Å; H64-Y473 WeakPolarHBondContact ND1-CE2 3.48Å; H64-Y473 AromaticContact ND1-CZ 3.41Å; H64-Y473 PolarHBondContact ND1-OH 3.46Å
65	L	83.6	Confident	72	Confident	36 Å²	36	39 Å²	39	19%	0.188	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-90.5	141.2	173.3	-60.6	175.8	0	0	0	111.7	L61 L62 Y63 I469	L61-L65 WeakPolarHBondContact CD2-O 3.41Å; L62-L65 HydrophobicContact CB-CB 4.32Å; L62-L65 PolarHBondContact N-O 3.01Å; L62-L65 VanDerWaalsContact O-CB 3.26Å; L62-L65 WeakPolarHBondContact O-CB 3.36Å; L62-L65 WeakPolarHBondContact O-CG 3.33Å; L62-L65 PolarHBondContact O-N 3.08Å; Y63-L65 VanDerWaalsContact C-N 3.32Å; Y63-L65 PolarHBondContact O-N 3.13Å; L65-I469 HydrophobicContact CD2-CB 4.25Å; L65-I469 HydrophobicContact CD2-CD1 3.51Å; L65-I469 HydrophobicContact CD2-CG1 3.68Å
66	P	87.7	Confident	74.5	Confident	1 Å²	1	36.6 Å²	36.6	1%	0.006	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-73.5	144.8	174.6	34.2	-37.8	0	0	0	110	I469 V471 Q555 K558 A559 R562	P66-I469 WeakPolarHBondContact CD-O 3.5Å; P66-V471 HydrophobicContact CB-CG2 3.89Å; P66-V471 HydrophobicContact CG-CG2 4.28Å; P66-Q555 WeakPolarHBondContact CB-O 3.14Å; P66-K558 HydrophobicContact CB-CB 4.16Å; P66-K558 HydrophobicContact CG-CB 3.6Å; P66-K558 WeakPolarHBondContact CG-O 2.99Å; P66-A559 HydrophobicContact CB-CB 4.11Å; P66-A559 HydrophobicContact CG-CB 4.29Å; P66-R562 HydrophobicContact CG-CB 4.32Å; P66-R562 WeakPolarHBondContact O-CD 3.38Å; P66-R562 PolarHBondContact O-NH1 2.92Å
67	G	88.4	Confident	77.1	Confident	2 Å²	2	32.7 Å²	32.7	2%	0.021	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-60.8	143	176.3	0	0	0	0	0	112.8	E146 H147	G67-E146 WeakPolarHBondContact CA-OE2 3.41Å; G67-H147 VanDerWaalsContact CA-NE2 3.28Å; G67-H147 WeakPolarHBondContact CA-NE2 3.49Å; G67-H147 PolarHBondContact N-NE2 2.71Å
68	R	92	Very high	79.3	Confident	78 Å²	78	31.2 Å²	31.2	29%	0.294	15%	0.152	S	C	.	.	P	Polyproline II helix	trans	-80.1	139.5	172.4	-64.4	-174.8	174.3	129.3	-3.8	110.1	E72 L73 E146 R562	R68-E72 HydrophobicContact CB-CB 4.47Å; R68-L73 HydrophobicContact CB-CD2 3.78Å; R68-E146 PolarHBondContact N-OE2 2.82Å; R68-E146 IonicContact NH1-OE1 3.1Å; R68-R562 VanDerWaalsContact CZ-NH2 3.31Å
69	P	93.1	Very high	81.5	Confident	3 Å²	3	32.1 Å²	32.1	2%	0.019	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-61.3	150.7	167.7	26.1	-31.9	0	0	0	110.7	L71 E72 L73 L538 E548	P69-L71 HydrophobicContact CB-CD2 4.46Å; P69-L71 HydrophobicContact CB-CG 4.46Å; P69-L71 HydrophobicContact CG-CG 4.48Å; P69-L71 PolarHBondContact O-N 3.08Å; P69-L71 VanDerWaalsContact O-N 3.13Å; P69-E72 HydrophobicContact CG-CB 4Å; P69-E72 HydrophobicContact CG-CG 3.79Å; P69-E72 WeakPolarHBondContact O-CA 3.12Å; P69-E72 WeakPolarHBondContact O-CB 3.49Å; P69-E72 PolarHBondContact O-N 2.78Å; P69-L73 PolarHBondContact O-N 3.01Å; P69-L538 HydrophobicContact CB-CB 4.26Å; P69-E548 WeakPolarHBondContact CA-OE2 3.43Å
70	L	94.6	Very high	83.8	Confident	9 Å²	9	32.9 Å²	32.9	5%	0.047	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-49	-44.2	-177.8	175.5	62.8	0	0	0	111.9	E72 L73 F76 I97 T107 I145 P546 E548	L70-E72 PolarHBondContact O-N 2.69Å; L70-L73 HydrophobicContact CD1-CD1 4.04Å; L70-L73 WeakPolarHBondContact O-CB 3.25Å; L70-L73 PolarHBondContact O-N 2.75Å; L70-L73 VanDerWaalsContact O-N 3.08Å; L70-F76 HydrophobicContact CD1-CB 4.16Å; L70-F76 HydrophobicContact CD1-CD2 3.52Å; L70-F76 HydrophobicContact CD1-CE2 4.06Å; L70-F76 HydrophobicContact CD1-CG 3.92Å; L70-F76 HydrophobicContact CD2-CD2 4.18Å; L70-F76 HydrophobicContact CD2-CE2 3.84Å; L70-F76 HydrophobicContact CD2-CZ 4.22Å; L70-F76 HydrophobicContact CG-CD1 4.4Å; L70-F76 HydrophobicContact CG-CD2 3.73Å; L70-F76 HydrophobicContact CG-CE2 3.86Å; L70-F76 HydrophobicContact CG-CG 4.01Å; L70-F76 HydrophobicContact CG-CZ 4.24Å; L70-F76 WeakPolarHBondContact O-CB 3.39Å; L70-F76 WeakPolarHBondContact O-CD1 3.31Å; L70-F76 WeakPolarHBondContact O-CG 3.43Å; L70-I97 HydrophobicContact CD1-CB 4.42Å; L70-I97 HydrophobicContact CD1-CG2 3.8Å; L70-T107 HydrophobicContact CD2-CG2 4.17Å; L70-I145 HydrophobicContact CB-CD1 4.44Å; L70-I145 HydrophobicContact CD1-CD1 4.13Å; L70-I145 HydrophobicContact CD1-CG2 4.45Å; L70-I145 HydrophobicContact CD2-CD1 4.04Å; L70-I145 HydrophobicContact CG-CD1 4.43Å; L70-P546 HydrophobicContact CD2-CG 3.58Å; L70-E548 WeakPolarHBondContact CB-OE2 3.07Å; L70-E548 PolarHBondContact N-OE2 2.94Å
71	L	90.8	Very high	85.9	Confident	24 Å²	24	33.9 Å²	33.9	13%	0.126	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-61.8	-27	-179.2	77.6	96.4	0	0	0	112.6	P69 K178 P539 Y565	P69-L71 HydrophobicContact CB-CD2 4.46Å; P69-L71 HydrophobicContact CB-CG 4.46Å; P69-L71 HydrophobicContact CG-CG 4.48Å; P69-L71 PolarHBondContact O-N 3.08Å; P69-L71 VanDerWaalsContact O-N 3.13Å; L71-K178 WeakPolarHBondContact O-CE 3.46Å; L71-K178 PolarHBondContact O-NZ 3.23Å; L71-P539 WeakPolarHBondContact CD2-O 3.39Å; L71-Y565 HydrophobicContact CD1-CD2 4.49Å; L71-Y565 HydrophobicContact CD1-CE2 3.97Å; L71-Y565 HydrophobicContact CD2-CE2 4.2Å
72	E	90.7	Very high	87.9	Confident	54 Å²	54	35.7 Å²	35.7	25%	0.252	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-92.7	-10.2	179.6	-67.5	-59.9	159.6	0	0	112.8	R68 P69 L70 K178 C563 Y565	R68-E72 HydrophobicContact CB-CB 4.47Å; P69-E72 HydrophobicContact CG-CB 4Å; P69-E72 HydrophobicContact CG-CG 3.79Å; P69-E72 WeakPolarHBondContact O-CA 3.12Å; P69-E72 WeakPolarHBondContact O-CB 3.49Å; P69-E72 PolarHBondContact O-N 2.78Å; L70-E72 PolarHBondContact O-N 2.69Å; E72-K178 PolarHBondContact O-NZ 3.06Å; E72-K178 VanDerWaalsContact O-NZ 3.12Å; E72-C563 HydrophobicContact CB-CB 4.3Å; E72-C563 HydrophobicContact CG-CB 3.85Å; E72-Y565 HydrophobicContact CG-CD2 4.47Å
73	L	92.4	Very high	89.6	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.205	C	C	.	.			trans	-62.7	132.2	176.6	-64.7	179	0	0	0	111.5	R68 P69 L70 Y75 F76 I145 E146 K178	R68-L73 HydrophobicContact CB-CD2 3.78Å; P69-L73 PolarHBondContact O-N 3.01Å; L70-L73 HydrophobicContact CD1-CD1 4.04Å; L70-L73 WeakPolarHBondContact O-CB 3.25Å; L70-L73 PolarHBondContact O-N 2.75Å; L70-L73 VanDerWaalsContact O-N 3.08Å; L73-Y75 HydrophobicContact CB-CD2 4.38Å; L73-Y75 HydrophobicContact CB-CE2 4.11Å; L73-Y75 HydrophobicContact CD1-CE2 3.75Å; L73-Y75 HydrophobicContact CG-CE2 4.37Å; L73-Y75 PolarHBondContact O-N 2.98Å; L73-F76 HydrophobicContact CB-CB 4.12Å; L73-F76 PolarHBondContact O-N 2.91Å; L73-I145 HydrophobicContact CD1-CG2 4.32Å; L73-E146 HydrophobicContact CD2-CB 3.83Å; L73-E146 HydrophobicContact CD2-CG 3.61Å; L73-K178 PolarHBondContact O-NZ 3.25Å
74	P	90.3	Very high	91	Very high	31 Å²	31	36.8 Å²	36.8	20%	0.201	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-26.1	-177.7	21.2	-29.2	0	0	0	112.7	H174 N175	P74-H174 WeakPolarHBondContact CB-ND1 3.2Å; P74-H174 CarbonylContact O-C 3.6Å; P74-H174 WeakPolarHBondContact O-CA 3.45Å; P74-N175 PolarHBondContact O-N 3.41Å
75	Y	92.9	Very high	91.7	Very high	13 Å²	13	32.5 Å²	32.5	5%	0.051	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	15.8	179.7	49.8	-97.8	0	0	0	113.8	L73 H77 F95 I97 I149 P172 I173	L73-Y75 HydrophobicContact CB-CD2 4.38Å; L73-Y75 HydrophobicContact CB-CE2 4.11Å; L73-Y75 HydrophobicContact CD1-CE2 3.75Å; L73-Y75 HydrophobicContact CG-CE2 4.37Å; L73-Y75 PolarHBondContact O-N 2.98Å; Y75-H77 PolarHBondContact O-CD2 2.82Å; Y75-F95 HydrophobicContact CD1-CE2 4.46Å; Y75-F95 AromaticContact CD2-CE2 3.92Å; Y75-F95 HydrophobicContact CD2-CE2 3.92Å; Y75-F95 HydrophobicContact CE2-CE2 4.12Å; Y75-F95 HydrophobicContact CG-CE2 4.1Å; Y75-I97 HydrophobicContact CD2-CD1 4.09Å; Y75-I97 HydrophobicContact CD2-CG1 4.13Å; Y75-I97 HydrophobicContact CE2-CD1 3.76Å; Y75-I97 HydrophobicContact CE2-CG1 4.31Å; Y75-I97 PolarHBondContact O-N 2.79Å; Y75-I149 HydrophobicContact CE2-CG1 4.41Å; Y75-I149 HydrophobicContact CE2-CG2 4.34Å; Y75-P172 HydrophobicContact CD1-CB 3.4Å; Y75-P172 VanDerWaalsContact CD1-CB 3.4Å; Y75-P172 HydrophobicContact CD1-CG 4.23Å; Y75-P172 HydrophobicContact CE1-CB 4.28Å; Y75-P172 HydrophobicContact CG-CB 3.79Å; Y75-I173 VanDerWaalsContact CA-O 3.29Å; Y75-I173 WeakPolarHBondContact CA-O 3.44Å; Y75-I173 WeakPolarHBondContact CB-O 3.4Å
76	F	94.1	Very high	91.9	Very high	23 Å²	23	34.2 Å²	34.2	10%	0.101	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	121.6	167.7	178.4	-116.1	0	0	0	110.8	L70 L73 I97 L99 N175	L70-F76 HydrophobicContact CD1-CB 4.16Å; L70-F76 HydrophobicContact CD1-CD2 3.52Å; L70-F76 HydrophobicContact CD1-CE2 4.06Å; L70-F76 HydrophobicContact CD1-CG 3.92Å; L70-F76 HydrophobicContact CD2-CD2 4.18Å; L70-F76 HydrophobicContact CD2-CE2 3.84Å; L70-F76 HydrophobicContact CD2-CZ 4.22Å; L70-F76 HydrophobicContact CG-CD1 4.4Å; L70-F76 HydrophobicContact CG-CD2 3.73Å; L70-F76 HydrophobicContact CG-CE2 3.86Å; L70-F76 HydrophobicContact CG-CG 4.01Å; L70-F76 HydrophobicContact CG-CZ 4.24Å; L70-F76 WeakPolarHBondContact O-CB 3.39Å; L70-F76 WeakPolarHBondContact O-CD1 3.31Å; L70-F76 WeakPolarHBondContact O-CG 3.43Å; L73-F76 HydrophobicContact CB-CB 4.12Å; L73-F76 PolarHBondContact O-N 2.91Å; F76-I97 CarbonylContact C-O 3.49Å; F76-I97 WeakPolarHBondContact CA-O 3.3Å; F76-I97 HydrophobicContact CD2-CB 4.4Å; F76-I97 HydrophobicContact CD2-CG2 4.17Å; F76-I97 WeakPolarHBondContact CD2-O 3.43Å; F76-L99 HydrophobicContact CE2-CD2 4.4Å; F76-L99 HydrophobicContact CE2-CG 4.06Å; F76-L99 HydrophobicContact CZ-CD1 4.24Å; F76-L99 HydrophobicContact CZ-CG 3.95Å; F76-N175 WeakPolarHBondContact O-CB 3.46Å; F76-N175 PolarHBondContact O-ND2 3.46Å
77	H	92.5	Very high	91.8	Very high	21 Å²	21	40.5 Å²	40.5	10%	0.097	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	4.6	-173.7	-72.2	-121.1	0	0	0	114	Y75 M80 I97 I173	Y75-H77 PolarHBondContact O-CD2 2.82Å; H77-M80 HydrophobicContact CB-CG 4.5Å; H77-M80 HydrophobicContact CB-SD 3.46Å; H77-M80 WeakPolarHBondContact CB-SD 3.48Å; H77-I97 PolarHBondContact N-O 2.76Å; H77-I173 PolarHBondContact NE2-O 2.87Å
78	G	91.8	Very high	91.5	Very high	20 Å²	20	43.1 Å²	43.1	21%	0.206	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	74.2	-146.4	-176.7	0	0	0	0	0	111.6	F98 L99	G78-F98 CarbonylContact O-C 3.52Å; G78-F98 VanDerWaalsContact O-CA 3.31Å; G78-F98 WeakPolarHBondContact O-CA 3.43Å; G78-F98 WeakPolarHBondContact O-CB 3.48Å; G78-L99 PolarHBondContact O-N 3.08Å
79	A	93.1	Very high	90.4	Very high	44 Å²	44	45.2 Å²	45.2	36%	0.364	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	120.7	-176.6	0	0	0	0	0	112.5	L99 K101 L105	A79-L99 VanDerWaalsContact CA-O 3.32Å; A79-L99 WeakPolarHBondContact CA-O 3.33Å; A79-L99 HydrophobicContact CB-CB 4.35Å; A79-K101 HydrophobicContact CB-CG 4.26Å; A79-K101 WeakPolarHBondContact O-CE 3.33Å; A79-K101 PolarHBondContact O-NZ 2.96Å; A79-L105 HydrophobicContact CB-CD2 3.88Å
80	M	94	Very high	89.5	Confident	27 Å²	27	46 Å²	46	13%	0.133	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	157.1	-178	-60.5	-177.3	72.2	0	0	112	H77 E84 V85 L88 F98 L99 N100 K101	H77-M80 HydrophobicContact CB-CG 4.5Å; H77-M80 HydrophobicContact CB-SD 3.46Å; H77-M80 WeakPolarHBondContact CB-SD 3.48Å; M80-E84 WeakPolarHBondContact CA-OE2 3.43Å; M80-E84 HydrophobicContact CE-CB 3.66Å; M80-V85 HydrophobicContact CB-CG2 4.22Å; M80-V85 HydrophobicContact CE-CG2 4.13Å; M80-V85 HydrophobicContact SD-CG2 4.27Å; M80-L88 HydrophobicContact CE-CD1 4.36Å; M80-F98 HydrophobicContact CB-CB 4.32Å; M80-F98 HydrophobicContact CB-CD2 3.75Å; M80-F98 HydrophobicContact CB-CE2 4.42Å; M80-F98 HydrophobicContact CB-CG 4.3Å; M80-F98 HydrophobicContact CG-CB 4.46Å; M80-F98 WeakPolarHBondContact O-CD2 3.4Å; M80-F98 WeakPolarHBondContact O-CE2 3.36Å; M80-L99 PolarHBondContact N-O 2.65Å; M80-N100 WeakPolarHBondContact O-CA 3.32Å; M80-K101 PolarHBondContact O-N 2.84Å
81	T	95	Very high	89.1	Confident	30 Å²	30	53.3 Å²	53.3	18%	0.184	28%	0.277	C	S	.	.			trans	-87	156.9	165.8	61.3	0	0	0	0	109.9	K83 E84 V85 K101 D102	T81-K83 PolarHBondContact O-N 3.44Å; T81-E84 PolarHBondContact N-OE2 2.8Å; T81-E84 PolarHBondContact O-N 2.93Å; T81-E84 VanDerWaalsContact O-N 3.16Å; T81-E84 VanDerWaalsContact OG1-CG 3.24Å; T81-E84 WeakPolarHBondContact OG1-CG 3.18Å; T81-E84 PolarHBondContact OG1-N 3.01Å; T81-E84 PolarHBondContact OG1-OE2 2.89Å; T81-V85 PolarHBondContact O-N 3.05Å; T81-K101 HydrophobicContact CG2-CB 3.91Å; T81-K101 HydrophobicContact CG2-CD 4.08Å; T81-D102 WeakPolarHBondContact CA-OD2 3.37Å; T81-D102 WeakPolarHBondContact CB-OD2 3.13Å
82	V	92.4	Very high	88.9	Confident	47 Å²	47	54.7 Å²	54.7	29%	0.285	29%	0.292	S	S	.	.	H	α-helix	trans	-59.7	-34.8	174.3	178	0	0	0	0	110.6	E84 V85 T86 F98 D102	V82-E84 PolarHBondContact O-N 2.93Å; V82-V85 PolarHBondContact O-N 2.94Å; V82-T86 HydrophobicContact CG1-CG2 4.3Å; V82-T86 WeakPolarHBondContact O-CG2 3.19Å; V82-T86 PolarHBondContact O-N 2.87Å; V82-T86 PolarHBondContact O-OG1 2.71Å; V82-F98 HydrophobicContact CG2-CZ 4.48Å; V82-D102 PolarHBondContact N-OD2 3.43Å
83	K	93.2	Very high	88.9	Confident	147 Å²	147	52.5 Å²	52.5	64%	0.639	28%	0.284	S	S	*	.	H	α-helix	trans	-63.1	-40.2	176.7	-175.1	-177.2	176.8	-174.3	0	112.9	T81 V85 T86 Q87	T81-K83 PolarHBondContact O-N 3.44Å; K83-V85 VanDerWaalsContact C-N 3.3Å; K83-T86 PolarHBondContact O-OG1 3Å; K83-T86 VanDerWaalsContact O-OG1 3.07Å; K83-Q87 VanDerWaalsContact O-CG 3.26Å; K83-Q87 WeakPolarHBondContact O-CG 3.39Å; K83-Q87 PolarHBondContact O-N 2.84Å
84	E	92.2	Very high	88.9	Confident	73 Å²	73	53.3 Å²	53.3	34%	0.341	29%	0.287	S	S	.	.	H	α-helix	trans	-66.6	-36.3	175.4	-71.9	162.2	144.9	0	0	110.9	M80 T81 V82 Q87	M80-E84 WeakPolarHBondContact CA-OE2 3.43Å; M80-E84 HydrophobicContact CE-CB 3.66Å; T81-E84 PolarHBondContact N-OE2 2.8Å; T81-E84 PolarHBondContact O-N 2.93Å; T81-E84 VanDerWaalsContact O-N 3.16Å; T81-E84 VanDerWaalsContact OG1-CG 3.24Å; T81-E84 WeakPolarHBondContact OG1-CG 3.18Å; T81-E84 PolarHBondContact OG1-N 3.01Å; T81-E84 PolarHBondContact OG1-OE2 2.89Å; V82-E84 PolarHBondContact O-N 2.93Å; E84-Q87 PolarHBondContact O-N 3.23Å
85	V	90.3	Very high	89.1	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-67.8	-44	177	175.5	0	0	0	0	111.7	M80 T81 V82 K83 Q87 L88 L90 L96 F98 A110 V118	M80-V85 HydrophobicContact CB-CG2 4.22Å; M80-V85 HydrophobicContact CE-CG2 4.13Å; M80-V85 HydrophobicContact SD-CG2 4.27Å; T81-V85 PolarHBondContact O-N 3.05Å; V82-V85 PolarHBondContact O-N 2.94Å; K83-V85 VanDerWaalsContact C-N 3.3Å; V85-Q87 PolarHBondContact O-N 2.8Å; V85-L88 VanDerWaalsContact O-CB 3.3Å; V85-L88 WeakPolarHBondContact O-CB 3.43Å; V85-L88 PolarHBondContact O-N 3.03Å; V85-L90 HydrophobicContact CG1-CD1 4.43Å; V85-L96 HydrophobicContact CG1-CD1 4.33Å; V85-L96 HydrophobicContact CG1-CD2 4.38Å; V85-L96 HydrophobicContact CG2-CD1 4.3Å; V85-F98 HydrophobicContact CG2-CD1 4.12Å; V85-F98 HydrophobicContact CG2-CD2 4.3Å; V85-F98 HydrophobicContact CG2-CE1 3.98Å; V85-F98 HydrophobicContact CG2-CE2 4.14Å; V85-F98 HydrophobicContact CG2-CG 4.28Å; V85-F98 HydrophobicContact CG2-CZ 3.98Å; V85-A110 HydrophobicContact CG1-CB 3.65Å; V85-V118 HydrophobicContact CG1-CG1 4.23Å
86	T	87.7	Confident	89.3	Confident	72 Å²	72	51.3 Å²	51.3	44%	0.442	28%	0.276	S	S	.	.	H	α-helix	trans	-67.6	-18.6	178.4	57.4	0	0	0	0	113.7	V82 K83 L88 V118	V82-T86 HydrophobicContact CG1-CG2 4.3Å; V82-T86 WeakPolarHBondContact O-CG2 3.19Å; V82-T86 PolarHBondContact O-N 2.87Å; V82-T86 PolarHBondContact O-OG1 2.71Å; K83-T86 PolarHBondContact O-OG1 3Å; K83-T86 VanDerWaalsContact O-OG1 3.07Å; T86-L88 VanDerWaalsContact C-N 3.3Å; T86-V118 HydrophobicContact CG2-CB 4.03Å; T86-V118 HydrophobicContact CG2-CG1 4.49Å; T86-V118 HydrophobicContact CG2-CG2 3.85Å
87	Q	86.2	Confident	89.4	Confident	132 Å²	132	50.2 Å²	50.2	62%	0.617	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-14	173.2	-73.5	173.5	-5.1	0	0	113.3	K83 E84 V85	K83-Q87 VanDerWaalsContact O-CG 3.26Å; K83-Q87 WeakPolarHBondContact O-CG 3.39Å; K83-Q87 PolarHBondContact O-N 2.84Å; E84-Q87 PolarHBondContact O-N 3.23Å; V85-Q87 PolarHBondContact O-N 2.8Å
88	L	81.8	Confident	89.5	Confident	57 Å²	57	49.2 Å²	49.2	30%	0.298	27%	0.266	S	S	.	.	S	Bend	trans	-70.6	138.7	171.2	-59.5	173.8	0	0	0	108.7	M80 V85 T86 L90 L96	M80-L88 HydrophobicContact CE-CD1 4.36Å; V85-L88 VanDerWaalsContact O-CB 3.3Å; V85-L88 WeakPolarHBondContact O-CB 3.43Å; V85-L88 PolarHBondContact O-N 3.03Å; T86-L88 VanDerWaalsContact C-N 3.3Å; L88-L90 HydrophobicContact CB-CD2 3.69Å; L88-L90 HydrophobicContact CB-CG 4.07Å; L88-L90 WeakPolarHBondContact O-CG 3.41Å; L88-L90 PolarHBondContact O-N 2.79Å; L88-L90 VanDerWaalsContact O-N 3.13Å; L88-L96 HydrophobicContact CD1-CD2 3.45Å; L88-L96 VanDerWaalsContact CD1-CD2 3.45Å
89	V	69.8	Low	89.7	Confident	122 Å²	122	49 Å²	49	74%	0.739	26%	0.261	S	S	*	.			trans	-78.2	100.6	173	-177.5	0	0	0	0	107.3
90	L	73.5	Confident	89.8	Confident	20 Å²	20	47.2 Å²	47.2	11%	0.105	25%	0.245	C	C	.	.			trans	-108.1	133.6	-177.5	-51.2	177.3	0	0	0	109.2	V85 L88 V112 V118 I173	V85-L90 HydrophobicContact CG1-CD1 4.43Å; L88-L90 HydrophobicContact CB-CD2 3.69Å; L88-L90 HydrophobicContact CB-CG 4.07Å; L88-L90 WeakPolarHBondContact O-CG 3.41Å; L88-L90 PolarHBondContact O-N 2.79Å; L88-L90 VanDerWaalsContact O-N 3.13Å; L90-V112 HydrophobicContact CB-CB 4.05Å; L90-V112 HydrophobicContact CB-CG2 3.23Å; L90-V112 HydrophobicContact CD1-CG2 3.34Å; L90-V112 HydrophobicContact CG-CG2 3.86Å; L90-V118 HydrophobicContact CD1-CG1 4.41Å; L90-V118 HydrophobicContact CD1-CG2 3.99Å; L90-I173 HydrophobicContact CB-CD1 4.46Å; L90-I173 HydrophobicContact CD2-CD1 2.96Å; L90-I173 HydrophobicContact CD2-CG1 4.44Å; L90-I173 HydrophobicContact CG-CD1 4.25Å
91	Y	86	Confident	89.9	Confident	162 Å²	162	50.8 Å²	50.8	64%	0.635	26%	0.26	S	S	*	.			trans	-93.2	161.2	169.1	-62.3	-79.8	0	0	0	111.5	G93 E94	Y91-G93 PolarHBondContact O-N 3.44Å; Y91-E94 WeakPolarHBondContact CD2-OE2 3.35Å; Y91-E94 PolarHBondContact N-OE2 3.13Å; Y91-E94 WeakPolarHBondContact O-CB 3.11Å; Y91-E94 WeakPolarHBondContact O-CG 3.36Å; Y91-E94 PolarHBondContact O-N 3.47Å
92	A	88.1	Confident	89.9	Confident	54 Å²	54	53.5 Å²	53.5	45%	0.446	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	130.4	178	0	0	0	0	0	112.4	E94 D113	A92-E94 PolarHBondContact O-N 3.3Å; A92-D113 WeakPolarHBondContact CB-O 3.27Å
93	G	89.8	Confident	89.9	Confident	7 Å²	7	57.5 Å²	57.5	7%	0.072	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.8	-4.6	-175.4	0	0	0	0	0	115.2	Y91 V112 V168 S170 K171	Y91-G93 PolarHBondContact O-N 3.44Å; G93-V112 PolarHBondContact N-O 3.09Å; G93-V168 WeakPolarHBondContact CA-O 3.44Å; G93-S170 WeakPolarHBondContact CA-OG 3.48Å; G93-S170 PolarHBondContact O-N 3.4Å; G93-S170 PolarHBondContact O-OG 2.87Å; G93-S170 VanDerWaalsContact O-OG 3.05Å; G93-K171 PolarHBondContact O-N 2.72Å
94	E	92.6	Very high	89.9	Confident	17 Å²	17	58.1 Å²	58.1	8%	0.079	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	140.2	169.2	-63.6	-167.9	144.8	0	0	110.7	Y91 A92 V111 V112 K171 I173	Y91-E94 WeakPolarHBondContact CD2-OE2 3.35Å; Y91-E94 PolarHBondContact N-OE2 3.13Å; Y91-E94 WeakPolarHBondContact O-CB 3.11Å; Y91-E94 WeakPolarHBondContact O-CG 3.36Å; Y91-E94 PolarHBondContact O-N 3.47Å; A92-E94 PolarHBondContact O-N 3.3Å; E94-V111 WeakPolarHBondContact O-CA 3.3Å; E94-V112 PolarHBondContact O-N 3.32Å; E94-V112 VanDerWaalsContact O-N 3.16Å; E94-K171 WeakPolarHBondContact CA-O 3.42Å; E94-K171 HydrophobicContact CG-CB 4.26Å; E94-K171 HydrophobicContact CG-CD 4.43Å; E94-K171 IonicContact OE1-NZ 2.82Å; E94-K171 PolarHBondContact OE1-NZ 2.9Å; E94-I173 HydrophobicContact CB-CD1 3.67Å; E94-I173 HydrophobicContact CB-CG1 3.89Å; E94-I173 HydrophobicContact CG-CG1 4.5Å
95	F	94.9	Very high	89.9	Confident	1 Å²	1	57.3 Å²	57.3	0%	0.004	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	161.4	-172.1	73.5	-89.9	0	0	0	113.6	Y75 L109 A110 V111 I149 I153 L169 K171 P172 I173	Y75-F95 HydrophobicContact CD1-CE2 4.46Å; Y75-F95 AromaticContact CD2-CE2 3.92Å; Y75-F95 HydrophobicContact CD2-CE2 3.92Å; Y75-F95 HydrophobicContact CE2-CE2 4.12Å; Y75-F95 HydrophobicContact CG-CE2 4.1Å; F95-L109 HydrophobicContact CB-CD1 4.21Å; F95-L109 HydrophobicContact CD2-CD1 3.91Å; F95-L109 HydrophobicContact CG-CD1 4.42Å; F95-A110 CarbonylContact C-O 3.58Å; F95-A110 WeakPolarHBondContact CA-O 3.13Å; F95-A110 VanDerWaalsContact CB-O 3.28Å; F95-A110 WeakPolarHBondContact CB-O 3.45Å; F95-V111 HydrophobicContact CB-CB 4.02Å; F95-V111 HydrophobicContact CB-CG2 4.18Å; F95-I149 HydrophobicContact CE2-CG2 3.73Å; F95-I149 HydrophobicContact CZ-CG2 3.8Å; F95-I153 HydrophobicContact CE1-CD1 3.92Å; F95-I153 HydrophobicContact CE1-CG1 4.38Å; F95-I153 HydrophobicContact CZ-CD1 3.76Å; F95-L169 HydrophobicContact CB-CD2 3.74Å; F95-L169 HydrophobicContact CD1-CB 3.89Å; F95-L169 HydrophobicContact CD1-CD2 4.06Å; F95-L169 HydrophobicContact CD1-CG 4.44Å; F95-L169 HydrophobicContact CD2-CD2 4.48Å; F95-L169 HydrophobicContact CE1-CB 4.05Å; F95-L169 HydrophobicContact CG-CB 4.48Å; F95-L169 HydrophobicContact CG-CD2 3.85Å; F95-K171 WeakPolarHBondContact CD1-O 3.5Å; F95-K171 VanDerWaalsContact CE1-C 3.42Å; F95-K171 PolarHBondContact N-O 3.35Å; F95-K171 VanDerWaalsContact N-O 3.07Å; F95-P172 HydrophobicContact CE1-CB 4.07Å; F95-P172 HydrophobicContact CE2-CB 4.11Å; F95-P172 HydrophobicContact CZ-CB 3.66Å; F95-P172 HydrophobicContact CZ-CG 4.35Å; F95-I173 PolarHBondContact O-N 2.95Å
96	L	95.7	Very high	90.1	Very high	1 Å²	1	61.3 Å²	61.3	1%	0.005	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	165.8	172.7	62.4	83.4	0	0	0	111.7	V85 L88 F98 A110	V85-L96 HydrophobicContact CG1-CD1 4.33Å; V85-L96 HydrophobicContact CG1-CD2 4.38Å; V85-L96 HydrophobicContact CG2-CD1 4.3Å; L88-L96 HydrophobicContact CD1-CD2 3.45Å; L88-L96 VanDerWaalsContact CD1-CD2 3.45Å; L96-F98 HydrophobicContact CD1-CB 4.3Å; L96-F98 HydrophobicContact CD1-CD1 3.6Å; L96-F98 HydrophobicContact CD1-CE1 4.35Å; L96-F98 HydrophobicContact CD1-CG 4.29Å; L96-A110 HydrophobicContact CD1-CB 4.03Å; L96-A110 HydrophobicContact CG-CB 4.25Å; L96-A110 PolarHBondContact N-O 3.19Å; L96-A110 PolarHBondContact O-N 3.47Å
97	I	96.2	Very high	90.5	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	141.5	174	-56	179.2	0	0	0	109.7	L70 Y75 F76 H77 T107 T108 L109 I123 I145 I149	L70-I97 HydrophobicContact CD1-CB 4.42Å; L70-I97 HydrophobicContact CD1-CG2 3.8Å; Y75-I97 HydrophobicContact CD2-CD1 4.09Å; Y75-I97 HydrophobicContact CD2-CG1 4.13Å; Y75-I97 HydrophobicContact CE2-CD1 3.76Å; Y75-I97 HydrophobicContact CE2-CG1 4.31Å; Y75-I97 PolarHBondContact O-N 2.79Å; F76-I97 CarbonylContact C-O 3.49Å; F76-I97 WeakPolarHBondContact CA-O 3.3Å; F76-I97 HydrophobicContact CD2-CB 4.4Å; F76-I97 HydrophobicContact CD2-CG2 4.17Å; F76-I97 WeakPolarHBondContact CD2-O 3.43Å; H77-I97 PolarHBondContact N-O 2.76Å; I97-T107 HydrophobicContact CG2-CG2 3.87Å; I97-T108 WeakPolarHBondContact CA-O 3.41Å; I97-L109 HydrophobicContact CG1-CD1 4.11Å; I97-I123 HydrophobicContact CD1-CD1 4.05Å; I97-I123 HydrophobicContact CG1-CD1 4.45Å; I97-I123 HydrophobicContact CG2-CD1 4.23Å; I97-I145 HydrophobicContact CD1-CG2 3.53Å; I97-I149 HydrophobicContact CD1-CD1 3.84Å; I97-I149 HydrophobicContact CD1-CG1 3.81Å
98	F	95.4	Very high	91	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	164.4	179	69.2	-73	0	0	0	111.3	G78 M80 V82 V85 L96 N100 T108 A110	G78-F98 CarbonylContact O-C 3.52Å; G78-F98 VanDerWaalsContact O-CA 3.31Å; G78-F98 WeakPolarHBondContact O-CA 3.43Å; G78-F98 WeakPolarHBondContact O-CB 3.48Å; M80-F98 HydrophobicContact CB-CB 4.32Å; M80-F98 HydrophobicContact CB-CD2 3.75Å; M80-F98 HydrophobicContact CB-CE2 4.42Å; M80-F98 HydrophobicContact CB-CG 4.3Å; M80-F98 HydrophobicContact CG-CB 4.46Å; M80-F98 WeakPolarHBondContact O-CD2 3.4Å; M80-F98 WeakPolarHBondContact O-CE2 3.36Å; V82-F98 HydrophobicContact CG2-CZ 4.48Å; V85-F98 HydrophobicContact CG2-CD1 4.12Å; V85-F98 HydrophobicContact CG2-CD2 4.3Å; V85-F98 HydrophobicContact CG2-CE1 3.98Å; V85-F98 HydrophobicContact CG2-CE2 4.14Å; V85-F98 HydrophobicContact CG2-CG 4.28Å; V85-F98 HydrophobicContact CG2-CZ 3.98Å; L96-F98 HydrophobicContact CD1-CB 4.3Å; L96-F98 HydrophobicContact CD1-CD1 3.6Å; L96-F98 HydrophobicContact CD1-CE1 4.35Å; L96-F98 HydrophobicContact CD1-CG 4.29Å; F98-N100 HydrophobicContact CD2-CB 4.2Å; F98-N100 HydrophobicContact CE2-CB 3.62Å; F98-N100 HydrophobicContact CZ-CB 4.2Å; F98-T108 HydrophobicContact CD1-CG2 4.46Å; F98-T108 WeakPolarHBondContact CD1-O 3.34Å; F98-T108 HydrophobicContact CE1-CG2 3.56Å; F98-T108 HydrophobicContact CZ-CG2 3.69Å; F98-T108 PolarHBondContact N-O 3.34Å; F98-T108 PolarHBondContact O-N 2.83Å; F98-A110 HydrophobicContact CE1-CB 3.99Å
99	L	95.5	Very high	91.7	Very high	16 Å²	16	49.5 Å²	49.5	8%	0.084	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	116.2	167.7	-57.9	178.5	0	0	0	108.4	F76 G78 A79 M80 K101 L105	F76-L99 HydrophobicContact CE2-CD2 4.4Å; F76-L99 HydrophobicContact CE2-CG 4.06Å; F76-L99 HydrophobicContact CZ-CD1 4.24Å; F76-L99 HydrophobicContact CZ-CG 3.95Å; G78-L99 PolarHBondContact O-N 3.08Å; A79-L99 VanDerWaalsContact CA-O 3.32Å; A79-L99 WeakPolarHBondContact CA-O 3.33Å; A79-L99 HydrophobicContact CB-CB 4.35Å; M80-L99 PolarHBondContact N-O 2.65Å; L99-K101 PolarHBondContact O-N 3.45Å; L99-L105 HydrophobicContact CB-CB 4.15Å; L99-L105 HydrophobicContact CB-CD2 4.14Å
100	N	95.8	Very high	92.9	Very high	7 Å²	7	43.7 Å²	43.7	4%	0.037	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	105.4	-168.7	-173.5	-11.9	0	0	0	112.3	M80 F98 D102 K103 N104 L105 E106 T108	M80-N100 WeakPolarHBondContact O-CA 3.32Å; F98-N100 HydrophobicContact CD2-CB 4.2Å; F98-N100 HydrophobicContact CE2-CB 3.62Å; F98-N100 HydrophobicContact CZ-CB 4.2Å; N100-D102 PolarHBondContact O-N 3.12Å; N100-D102 WeakPolarHBondContact OD1-CB 3.31Å; N100-D102 PolarHBondContact OD1-N 3.1Å; N100-K103 HydrophobicContact CB-CB 4.17Å; N100-K103 CarbonylContact O-C 3.54Å; N100-K103 VanDerWaalsContact O-C 3.29Å; N100-K103 PolarHBondContact O-N 2.86Å; N100-N104 PolarHBondContact O-N 3.02Å; N100-L105 VanDerWaalsContact O-CA 3.27Å; N100-L105 WeakPolarHBondContact O-CA 3.14Å; N100-L105 PolarHBondContact O-N 2.69Å; N100-E106 WeakPolarHBondContact CB-O 3.4Å; N100-E106 PolarHBondContact N-O 2.67Å; N100-T108 VanDerWaalsContact CB-OG1 3.31Å; N100-T108 WeakPolarHBondContact CB-OG1 3.21Å
101	K	95.6	Very high	93.9	Very high	101 Å²	101	42.8 Å²	42.8	44%	0.439	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-58.6	-30.4	177.8	-72.4	175.8	179.7	162.2	0	112.9	A79 M80 T81 L99 K103 L105	A79-K101 HydrophobicContact CB-CG 4.26Å; A79-K101 WeakPolarHBondContact O-CE 3.33Å; A79-K101 PolarHBondContact O-NZ 2.96Å; M80-K101 PolarHBondContact O-N 2.84Å; T81-K101 HydrophobicContact CG2-CB 3.91Å; T81-K101 HydrophobicContact CG2-CD 4.08Å; L99-K101 PolarHBondContact O-N 3.45Å; K101-K103 PolarHBondContact O-N 3.02Å; K101-L105 HydrophobicContact CG-CD2 4.03Å
102	D	95.1	Very high	94.2	Very high	87 Å²	87	35.1 Å²	35.1	47%	0.465	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-77.2	-10.1	179.2	-52.6	-46.5	0	0	0	112.5	T81 V82 N100	T81-D102 WeakPolarHBondContact CA-OD2 3.37Å; T81-D102 WeakPolarHBondContact CB-OD2 3.13Å; V82-D102 PolarHBondContact N-OD2 3.43Å; N100-D102 PolarHBondContact O-N 3.12Å; N100-D102 WeakPolarHBondContact OD1-CB 3.31Å; N100-D102 PolarHBondContact OD1-N 3.1Å
103	K	93.1	Very high	94.3	Very high	131 Å²	131	32.8 Å²	32.8	57%	0.57	16%	0.163	S	C	*	.	G	3₁₀ helix	trans	-133.9	46.1	-176.4	-61.6	-65.6	178	-175.1	0	111.7	N100 K101 L105 E106	N100-K103 HydrophobicContact CB-CB 4.17Å; N100-K103 CarbonylContact O-C 3.54Å; N100-K103 VanDerWaalsContact O-C 3.29Å; N100-K103 PolarHBondContact O-N 2.86Å; K101-K103 PolarHBondContact O-N 3.02Å; K103-L105 VanDerWaalsContact C-N 3.28Å; K103-L105 PolarHBondContact O-N 3.32Å; K103-E106 HydrophobicContact CB-CB 4.14Å; K103-E106 VanDerWaalsContact O-CB 3.24Å; K103-E106 WeakPolarHBondContact O-CB 3.49Å; K103-E106 PolarHBondContact O-N 3.21Å
104	N	92.2	Very high	94.2	Very high	160 Å²	160	41.2 Å²	41.2	86%	0.856	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	53	40.5	175.9	-64.1	-16.2	0	0	0	114.2	N100 E106	N100-N104 PolarHBondContact O-N 3.02Å; N104-E106 PolarHBondContact O-N 3.28Å
105	L	93.4	Very high	93.9	Very high	57 Å²	57	48.1 Å²	48.1	30%	0.298	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.8	24.8	-178.3	-56.1	176.4	0	0	0	114.4	A79 L99 N100 K101 K103 T107 A544	A79-L105 HydrophobicContact CB-CD2 3.88Å; L99-L105 HydrophobicContact CB-CB 4.15Å; L99-L105 HydrophobicContact CB-CD2 4.14Å; N100-L105 VanDerWaalsContact O-CA 3.27Å; N100-L105 WeakPolarHBondContact O-CA 3.14Å; N100-L105 PolarHBondContact O-N 2.69Å; K101-L105 HydrophobicContact CG-CD2 4.03Å; K103-L105 VanDerWaalsContact C-N 3.28Å; K103-L105 PolarHBondContact O-N 3.32Å; L105-T107 PolarHBondContact O-N 3.02Å; L105-A544 HydrophobicContact CB-CB 4.48Å; L105-A544 HydrophobicContact CD1-CB 3.82Å
106	E	94.3	Very high	93.4	Very high	83 Å²	83	52.4 Å²	52.4	39%	0.388	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	133.5	172	-177.3	177.6	-128.2	0	0	111.2	N100 K103 N104 T108 A122	N100-E106 WeakPolarHBondContact CB-O 3.4Å; N100-E106 PolarHBondContact N-O 2.67Å; K103-E106 HydrophobicContact CB-CB 4.14Å; K103-E106 VanDerWaalsContact O-CB 3.24Å; K103-E106 WeakPolarHBondContact O-CB 3.49Å; K103-E106 PolarHBondContact O-N 3.21Å; N104-E106 PolarHBondContact O-N 3.28Å; E106-T108 PolarHBondContact O-N 3.41Å; E106-T108 PolarHBondContact O-OG1 3.36Å; E106-T108 VanDerWaalsContact O-OG1 3.05Å; E106-A122 HydrophobicContact CG-CB 4.09Å; E106-A122 WeakPolarHBondContact OE1-CB 3.47Å; E106-A122 WeakPolarHBondContact OE2-CB 3.32Å
107	T	96	Very high	93.1	Very high	10 Å²	10	57.8 Å²	57.8	6%	0.061	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	119.8	178.4	-56.7	0	0	0	0	109.3	L70 I97 L105 I123 I145 P546	L70-T107 HydrophobicContact CD2-CG2 4.17Å; I97-T107 HydrophobicContact CG2-CG2 3.87Å; L105-T107 PolarHBondContact O-N 3.02Å; T107-I123 HydrophobicContact CG2-CB 4.15Å; T107-I123 HydrophobicContact CG2-CD1 4.08Å; T107-I123 HydrophobicContact CG2-CG1 4.49Å; T107-I123 PolarHBondContact O-N 3.22Å; T107-I145 HydrophobicContact CG2-CD1 3.99Å; T107-P546 HydrophobicContact CG2-CG 4.43Å; T107-P546 WeakPolarHBondContact OG1-CD 3.46Å; T107-P546 WeakPolarHBondContact OG1-CG 3.31Å
108	T	96.4	Very high	92.8	Very high	3 Å²	3	59.4 Å²	59.4	2%	0.018	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	132.4	-170.5	-59.2	0	0	0	0	110.5	I97 F98 N100 E106 C120 K121	I97-T108 WeakPolarHBondContact CA-O 3.41Å; F98-T108 HydrophobicContact CD1-CG2 4.46Å; F98-T108 WeakPolarHBondContact CD1-O 3.34Å; F98-T108 HydrophobicContact CE1-CG2 3.56Å; F98-T108 HydrophobicContact CZ-CG2 3.69Å; F98-T108 PolarHBondContact N-O 3.34Å; F98-T108 PolarHBondContact O-N 2.83Å; N100-T108 VanDerWaalsContact CB-OG1 3.31Å; N100-T108 WeakPolarHBondContact CB-OG1 3.21Å; E106-T108 PolarHBondContact O-N 3.41Å; E106-T108 PolarHBondContact O-OG1 3.36Å; E106-T108 VanDerWaalsContact O-OG1 3.05Å; T108-C120 HydrophobicContact CG2-CB 3.96Å; T108-K121 CarbonylContact C-O 3.58Å; T108-K121 WeakPolarHBondContact CA-O 3.18Å
109	L	96.7	Very high	92.6	Very high	1 Å²	1	59.4 Å²	59.4	1%	0.005	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	126.8	166.4	175.2	67.2	0	0	0	108.9	F95 I97 C120 K121 I123 I133 I149 I159 L169	F95-L109 HydrophobicContact CB-CD1 4.21Å; F95-L109 HydrophobicContact CD2-CD1 3.91Å; F95-L109 HydrophobicContact CG-CD1 4.42Å; I97-L109 HydrophobicContact CG1-CD1 4.11Å; L109-C120 CarbonylContact O-C 3.57Å; L109-C120 WeakPolarHBondContact O-CA 3.21Å; L109-K121 PolarHBondContact N-O 3.26Å; L109-K121 PolarHBondContact O-N 3.12Å; L109-I123 HydrophobicContact CB-CD1 4.26Å; L109-I123 HydrophobicContact CB-CG1 4.26Å; L109-I133 HydrophobicContact CD2-CD1 3.52Å; L109-I149 HydrophobicContact CD1-CD1 4.06Å; L109-I149 HydrophobicContact CD2-CD1 4.47Å; L109-I159 HydrophobicContact CD2-CD1 3.96Å; L109-I159 HydrophobicContact CD2-CG1 4.24Å; L109-L169 HydrophobicContact CD1-CD2 4.27Å; L109-L169 HydrophobicContact CD2-CD1 4.19Å; L109-L169 HydrophobicContact CD2-CD2 4.08Å
110	A	95.2	Very high	92.5	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	133.4	167.2	0	0	0	0	0	109.7	V85 F95 L96 F98 V118 I119	V85-A110 HydrophobicContact CG1-CB 3.65Å; F95-A110 CarbonylContact C-O 3.58Å; F95-A110 WeakPolarHBondContact CA-O 3.13Å; F95-A110 VanDerWaalsContact CB-O 3.28Å; F95-A110 WeakPolarHBondContact CB-O 3.45Å; L96-A110 HydrophobicContact CD1-CB 4.03Å; L96-A110 HydrophobicContact CG-CB 4.25Å; L96-A110 PolarHBondContact N-O 3.19Å; L96-A110 PolarHBondContact O-N 3.47Å; F98-A110 HydrophobicContact CE1-CB 3.99Å; A110-V118 HydrophobicContact CB-CG1 4.21Å; A110-I119 WeakPolarHBondContact CA-O 3.01Å
111	V	94.6	Very high	92.5	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	147.8	175.9	59.1	0	0	0	0	109.5	E94 F95 I119 I159 A167 L169	E94-V111 WeakPolarHBondContact O-CA 3.3Å; F95-V111 HydrophobicContact CB-CB 4.02Å; F95-V111 HydrophobicContact CB-CG2 4.18Å; V111-I119 HydrophobicContact CG1-CB 4.01Å; V111-I119 PolarHBondContact N-O 3.27Å; V111-I119 PolarHBondContact O-N 2.67Å; V111-I159 HydrophobicContact CG1-CB 4.08Å; V111-I159 HydrophobicContact CG1-CG1 4.39Å; V111-I159 HydrophobicContact CG1-CG2 3.97Å; V111-A167 HydrophobicContact CB-CB 4.47Å; V111-A167 HydrophobicContact CG1-CB 3.91Å; V111-A167 HydrophobicContact CG2-CB 3.72Å; V111-L169 HydrophobicContact CB-CD2 3.88Å; V111-L169 HydrophobicContact CG1-CD2 4.39Å; V111-L169 HydrophobicContact CG2-CD2 3.78Å
112	V	91	Very high	92.5	Very high	2 Å²	2	59 Å²	59	1%	0.012	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	136.3	175.9	176.1	0	0	0	0	112.2	L90 G93 E94 E117 V118	L90-V112 HydrophobicContact CB-CB 4.05Å; L90-V112 HydrophobicContact CB-CG2 3.23Å; L90-V112 HydrophobicContact CD1-CG2 3.34Å; L90-V112 HydrophobicContact CG-CG2 3.86Å; G93-V112 PolarHBondContact N-O 3.09Å; E94-V112 PolarHBondContact O-N 3.32Å; E94-V112 VanDerWaalsContact O-N 3.16Å; V112-E117 WeakPolarHBondContact CA-O 3.13Å; V112-V118 HydrophobicContact CG2-CB 4.48Å; V112-V118 HydrophobicContact CG2-CG2 3.88Å
113	D	90	Very high	92.5	Very high	5 Å²	5	55.2 Å²	55.2	3%	0.027	28%	0.275	C	S	.	.			trans	-85.6	-179	176.8	75.5	6	0	0	0	112.8	A92 R115 S116 E117 I119 F165 A167	A92-D113 WeakPolarHBondContact CB-O 3.27Å; D113-R115 PolarHBondContact O-N 3.49Å; D113-R115 VanDerWaalsContact OD1-CA 3.29Å; D113-R115 WeakPolarHBondContact OD1-CA 3.5Å; D113-R115 WeakPolarHBondContact OD1-CB 3.42Å; D113-R115 PolarHBondContact OD1-N 3.32Å; D113-S116 PolarHBondContact O-N 2.89Å; D113-S116 PolarHBondContact OD1-N 2.74Å; D113-S116 VanDerWaalsContact OD1-N 3.08Å; D113-E117 PolarHBondContact N-O 3.05Å; D113-E117 PolarHBondContact OD1-N 3.29Å; D113-I119 HydrophobicContact CB-CD1 4.07Å; D113-F165 VanDerWaalsContact OD2-CD1 3.23Å; D113-F165 WeakPolarHBondContact OD2-CD1 3.24Å; D113-A167 HydrophobicContact CB-CB 4.1Å
114	E	87.4	Confident	92.6	Very high	184 Å²	184	55.4 Å²	55.4	86%	0.86	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-14.8	178.5	-62.2	-172.3	164.3	0	0	113.9
115	R	86.5	Confident	92.7	Very high	162 Å²	162	51 Å²	51	61%	0.611	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.9	6.4	178.6	-64.8	-179.9	177.9	-176.7	4.6	112.6	D113 E117	D113-R115 PolarHBondContact O-N 3.49Å; D113-R115 VanDerWaalsContact OD1-CA 3.29Å; D113-R115 WeakPolarHBondContact OD1-CA 3.5Å; D113-R115 WeakPolarHBondContact OD1-CB 3.42Å; D113-R115 PolarHBondContact OD1-N 3.32Å; R115-E117 HydrophobicContact CB-CG 4.48Å; R115-E117 PolarHBondContact O-N 3Å
116	S	85.6	Confident	92.6	Very high	91 Å²	91	50.1 Å²	50.1	64%	0.636	24%	0.242	S	C	*	.	S	Bend	trans	66.6	19.7	-174.4	-44	0	0	0	0	114.2	D113	D113-S116 PolarHBondContact O-N 2.89Å; D113-S116 PolarHBondContact OD1-N 2.74Å; D113-S116 VanDerWaalsContact OD1-N 3.08Å
117	E	88.1	Confident	92.3	Very high	114 Å²	114	56.4 Å²	56.4	53%	0.533	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-88.4	139.3	174.3	-68.1	-64.4	147.2	0	0	110.5	V112 D113 R115	V112-E117 WeakPolarHBondContact CA-O 3.13Å; D113-E117 PolarHBondContact N-O 3.05Å; D113-E117 PolarHBondContact OD1-N 3.29Å; R115-E117 HydrophobicContact CB-CG 4.48Å; R115-E117 PolarHBondContact O-N 3Å
118	V	90.4	Very high	91.8	Very high	33 Å²	33	57.3 Å²	57.3	20%	0.2	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	116	179.2	-173.6	0	0	0	0	109.9	V85 T86 L90 A110 V112	V85-V118 HydrophobicContact CG1-CG1 4.23Å; T86-V118 HydrophobicContact CG2-CB 4.03Å; T86-V118 HydrophobicContact CG2-CG1 4.49Å; T86-V118 HydrophobicContact CG2-CG2 3.85Å; L90-V118 HydrophobicContact CD1-CG1 4.41Å; L90-V118 HydrophobicContact CD1-CG2 3.99Å; A110-V118 HydrophobicContact CB-CG1 4.21Å; V112-V118 HydrophobicContact CG2-CB 4.48Å; V112-V118 HydrophobicContact CG2-CG2 3.88Å
119	I	92.4	Very high	91.5	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.005	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	117.6	172.6	-53.5	-179	0	0	0	108.6	A110 V111 D113 K121 I159 N161 F165 A167	A110-I119 WeakPolarHBondContact CA-O 3.01Å; V111-I119 HydrophobicContact CG1-CB 4.01Å; V111-I119 PolarHBondContact N-O 3.27Å; V111-I119 PolarHBondContact O-N 2.67Å; D113-I119 HydrophobicContact CB-CD1 4.07Å; I119-K121 HydrophobicContact CG2-CG 4.21Å; I119-I159 HydrophobicContact CG2-CG2 3.94Å; I119-N161 HydrophobicContact CB-CB 4.28Å; I119-N161 HydrophobicContact CD1-CB 3.98Å; I119-N161 HydrophobicContact CG1-CB 3.87Å; I119-N161 HydrophobicContact CG2-CB 3.66Å; I119-F165 HydrophobicContact CD1-CB 4.36Å; I119-A167 HydrophobicContact CD1-CB 4Å
120	C	93.4	Very high	91.3	Very high	34 Å²	34	58.9 Å²	58.9	23%	0.23	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	122.8	173.2	-69	0	0	0	0	110.3	T108 L109	T108-C120 HydrophobicContact CG2-CB 3.96Å; L109-C120 CarbonylContact O-C 3.57Å; L109-C120 WeakPolarHBondContact O-CA 3.21Å
121	K	94.6	Very high	91.2	Very high	58 Å²	58	59 Å²	59	25%	0.252	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	133.8	174.8	-71.1	-62.9	-173.4	178.6	0	111.8	T108 L109 I119 I133 I159 E160 N161	T108-K121 CarbonylContact C-O 3.58Å; T108-K121 WeakPolarHBondContact CA-O 3.18Å; L109-K121 PolarHBondContact N-O 3.26Å; L109-K121 PolarHBondContact O-N 3.12Å; I119-K121 HydrophobicContact CG2-CG 4.21Å; K121-I133 HydrophobicContact CB-CG2 3.7Å; K121-I133 HydrophobicContact CG-CG2 4.22Å; K121-I159 HydrophobicContact CB-CG2 4.41Å; K121-I159 HydrophobicContact CG-CG2 3.67Å; K121-E160 WeakPolarHBondContact CE-O 3.35Å; K121-E160 PolarHBondContact NZ-O 3.25Å; K121-N161 PolarHBondContact NZ-O 3.02Å; K121-N161 VanDerWaalsContact NZ-O 3.12Å
122	A	95.1	Very high	91.2	Very high	22 Å²	22	59.9 Å²	59.9	18%	0.182	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	132.9	171.6	0	0	0	0	0	110.6	E106	E106-A122 HydrophobicContact CG-CB 4.09Å; E106-A122 WeakPolarHBondContact OE1-CB 3.47Å; E106-A122 WeakPolarHBondContact OE2-CB 3.32Å
123	I	96.5	Very high	91.4	Very high	8 Å²	8	60.6 Å²	60.6	4%	0.041	30%	0.295	C	S	.	.			trans	-88.1	108.6	164.1	-58.9	178.9	0	0	0	105.9	I97 T107 L109 F131 I133 I145 M148	I97-I123 HydrophobicContact CD1-CD1 4.05Å; I97-I123 HydrophobicContact CG1-CD1 4.45Å; I97-I123 HydrophobicContact CG2-CD1 4.23Å; T107-I123 HydrophobicContact CG2-CB 4.15Å; T107-I123 HydrophobicContact CG2-CD1 4.08Å; T107-I123 HydrophobicContact CG2-CG1 4.49Å; T107-I123 PolarHBondContact O-N 3.22Å; L109-I123 HydrophobicContact CB-CD1 4.26Å; L109-I123 HydrophobicContact CB-CG1 4.26Å; I123-F131 HydrophobicContact CG2-CB 4.15Å; I123-F131 HydrophobicContact CG2-CD1 3.97Å; I123-F131 HydrophobicContact CG2-CG 4.42Å; I123-I133 HydrophobicContact CG1-CG1 4.29Å; I123-I145 HydrophobicContact CD1-CG2 4.14Å; I123-I145 HydrophobicContact CG2-CD1 4.48Å; I123-I145 HydrophobicContact CG2-CG1 4.45Å; I123-M148 HydrophobicContact CB-CE 4.42Å; I123-M148 HydrophobicContact CD1-CE 3.75Å; I123-M148 HydrophobicContact CG1-CE 3.96Å; I123-M148 HydrophobicContact CG2-CE 3.66Å; I123-M148 HydrophobicContact CG2-SD 4.3Å
124	R	95.3	Very high	91.4	Very high	136 Å²	136	62.7 Å²	62.7	51%	0.513	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	154.6	-176.1	-64.3	-176.7	178.4	-170.8	1.6	110.5	F131 W132	R124-F131 VanDerWaalsContact O-CA 3.28Å; R124-F131 WeakPolarHBondContact O-CA 3.11Å; R124-W132 HydrophobicContact CB-CD2 4.1Å; R124-W132 HydrophobicContact CB-CH2 4.11Å; R124-W132 HydrophobicContact CB-CZ2 3.58Å; R124-W132 PolarHBondContact N-O 2.91Å; R124-W132 PolarHBondContact O-N 3.45Å
125	Q	93.9	Very high	91.5	Very high	68 Å²	68	57.7 Å²	57.7	32%	0.318	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	133.1	174.8	-170.9	172.1	29.9	0	0	110.5	S129 Y130 F131 V547	Q125-S129 PolarHBondContact NE2-O 2.92Å; Q125-Y130 VanDerWaalsContact CA-O 3.26Å; Q125-Y130 WeakPolarHBondContact CA-O 3.13Å; Q125-F131 HydrophobicContact CB-CD1 4.09Å; Q125-F131 HydrophobicContact CB-CE1 3.93Å; Q125-F131 HydrophobicContact CG-CD1 4.24Å; Q125-F131 HydrophobicContact CG-CE1 3.85Å; Q125-F131 HydrophobicContact CG-CZ 4.36Å; Q125-F131 VanDerWaalsContact NE2-CZ 3.32Å; Q125-V547 PolarHBondContact NE2-O 3.43Å
126	N	91.3	Very high	91.7	Very high	37 Å²	37	56.6 Å²	56.6	20%	0.198	29%	0.288	C	S	.	.			trans	-93.7	177.8	178.1	59.1	23.4	0	0	0	110.4	G128 S129 Y130 W132 E138	N126-G128 PolarHBondContact O-N 3.21Å; N126-G128 WeakPolarHBondContact OD1-CA 3.22Å; N126-G128 PolarHBondContact OD1-N 3.31Å; N126-S129 PolarHBondContact O-N 3.27Å; N126-S129 PolarHBondContact OD1-N 2.79Å; N126-Y130 PolarHBondContact N-O 2.91Å; N126-Y130 VanDerWaalsContact N-O 3.15Å; N126-Y130 PolarHBondContact OD1-N 3.08Å; N126-W132 VanDerWaalsContact CA-CH2 3.48Å; N126-W132 HydrophobicContact CB-CH2 3.3Å; N126-W132 HydrophobicContact CB-CZ3 3.32Å; N126-W132 VanDerWaalsContact CG-CZ3 3.49Å; N126-E138 PolarHBondContact ND2-OE1 2.84Å
127	K	86.9	Confident	91.8	Very high	215 Å²	215	52.7 Å²	52.7	94%	0.935	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-25.9	175	-62.6	-175	178.4	-176.7	0	113.3	S129	K127-S129 PolarHBondContact O-N 2.95Å
128	G	86	Confident	91.9	Very high	29 Å²	29	50.9 Å²	50.9	30%	0.299	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	6.2	174.2	0	0	0	0	0	114	N126 Y130	N126-G128 PolarHBondContact O-N 3.21Å; N126-G128 WeakPolarHBondContact OD1-CA 3.22Å; N126-G128 PolarHBondContact OD1-N 3.31Å; G128-Y130 PolarHBondContact O-N 2.78Å
129	S	89.6	Confident	91.8	Very high	11 Å²	11	56.1 Å²	56.1	8%	0.077	28%	0.278	C	S	.	.			trans	60.8	26.3	-176.7	-57	0	0	0	0	114.8	Q125 N126 K127 I533	Q125-S129 PolarHBondContact NE2-O 2.92Å; N126-S129 PolarHBondContact O-N 3.27Å; N126-S129 PolarHBondContact OD1-N 2.79Å; K127-S129 PolarHBondContact O-N 2.95Å; S129-I533 WeakPolarHBondContact OG-CD1 3.5Å
130	Y	92.7	Very high	91.6	Very high	26 Å²	26	57.7 Å²	57.7	10%	0.102	29%	0.286	C	S	.	.			trans	-91.3	152.2	172.6	-57.9	-68.6	0	0	0	112	Q125 N126 G128 W132 R141 F142 R535 F551	Q125-Y130 VanDerWaalsContact CA-O 3.26Å; Q125-Y130 WeakPolarHBondContact CA-O 3.13Å; N126-Y130 PolarHBondContact N-O 2.91Å; N126-Y130 VanDerWaalsContact N-O 3.15Å; N126-Y130 PolarHBondContact OD1-N 3.08Å; G128-Y130 PolarHBondContact O-N 2.78Å; Y130-W132 WeakPolarHBondContact O-CZ3 3.14Å; Y130-R141 HydrophobicContact CD1-CB 3.78Å; Y130-R141 HydrophobicContact CD1-CG 4.42Å; Y130-R141 WeakPolarHBondContact CD1-O 3.26Å; Y130-R141 HydrophobicContact CD2-CG 4.43Å; Y130-R141 HydrophobicContact CE1-CB 3.56Å; Y130-R141 HydrophobicContact CE1-CG 4.12Å; Y130-R141 WeakPolarHBondContact CE1-O 3.13Å; Y130-R141 HydrophobicContact CE2-CB 4.46Å; Y130-R141 HydrophobicContact CE2-CG 4.14Å; Y130-R141 HydrophobicContact CG-CB 4.25Å; Y130-F142 CarbonylContact C-O 3.56Å; Y130-F142 VanDerWaalsContact CA-O 3.23Å; Y130-F142 WeakPolarHBondContact CA-O 3.09Å; Y130-R535 VanDerWaalsContact CE1-NH2 3.32Å; Y130-R535 PolarHBondContact OH-NH2 2.73Å; Y130-F551 HydrophobicContact CE1-CZ 4.42Å
131	F	94.8	Very high	91.3	Very high	2 Å²	2	61 Å²	61	1%	0.009	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	140.7	-176.8	-59.8	-74	0	0	0	112.4	I123 R124 Q125 F142 S143 I145 M148 P546 V547 E548	I123-F131 HydrophobicContact CG2-CB 4.15Å; I123-F131 HydrophobicContact CG2-CD1 3.97Å; I123-F131 HydrophobicContact CG2-CG 4.42Å; R124-F131 VanDerWaalsContact O-CA 3.28Å; R124-F131 WeakPolarHBondContact O-CA 3.11Å; Q125-F131 HydrophobicContact CB-CD1 4.09Å; Q125-F131 HydrophobicContact CB-CE1 3.93Å; Q125-F131 HydrophobicContact CG-CD1 4.24Å; Q125-F131 HydrophobicContact CG-CE1 3.85Å; Q125-F131 HydrophobicContact CG-CZ 4.36Å; Q125-F131 VanDerWaalsContact NE2-CZ 3.32Å; F131-F142 WeakPolarHBondContact CD2-O 3.23Å; F131-F142 PolarHBondContact N-O 3.31Å; F131-S143 WeakPolarHBondContact CE2-O 3.39Å; F131-I145 HydrophobicContact CD1-CD1 4.43Å; F131-I145 HydrophobicContact CD1-CG1 4.11Å; F131-I145 HydrophobicContact CD2-CG1 4.09Å; F131-I145 HydrophobicContact CE1-CD1 4.28Å; F131-I145 HydrophobicContact CE1-CG1 4.27Å; F131-I145 HydrophobicContact CE2-CG1 4.26Å; F131-I145 HydrophobicContact CG-CG1 4.01Å; F131-I145 HydrophobicContact CZ-CG1 4.34Å; F131-M148 HydrophobicContact CB-SD 4.08Å; F131-P546 HydrophobicContact CE1-CB 3.62Å; F131-P546 HydrophobicContact CE1-CG 4.47Å; F131-P546 HydrophobicContact CZ-CB 3.89Å; F131-V547 WeakPolarHBondContact CZ-O 3.43Å; F131-E548 HydrophobicContact CE2-CB 4.47Å; F131-E548 HydrophobicContact CE2-CG 3.73Å; F131-E548 HydrophobicContact CZ-CG 3.81Å
132	W	94.2	Very high	91.2	Very high	20 Å²	20	58.3 Å²	58.3	8%	0.076	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	161.4	170.1	66.7	96.6	0	0	0	110.9	R124 N126 Y130 D137 E138	R124-W132 HydrophobicContact CB-CD2 4.1Å; R124-W132 HydrophobicContact CB-CH2 4.11Å; R124-W132 HydrophobicContact CB-CZ2 3.58Å; R124-W132 PolarHBondContact N-O 2.91Å; R124-W132 PolarHBondContact O-N 3.45Å; N126-W132 VanDerWaalsContact CA-CH2 3.48Å; N126-W132 HydrophobicContact CB-CH2 3.3Å; N126-W132 HydrophobicContact CB-CZ3 3.32Å; N126-W132 VanDerWaalsContact CG-CZ3 3.49Å; Y130-W132 WeakPolarHBondContact O-CZ3 3.14Å; W132-D137 HydrophobicContact CB-CB 4.22Å; W132-E138 HydrophobicContact CD2-CB 4.03Å; W132-E138 HydrophobicContact CD2-CG 4.09Å; W132-E138 HydrophobicContact CE3-CB 4.29Å; W132-E138 HydrophobicContact CE3-CG 3.9Å; W132-E138 HydrophobicContact CG-CB 4.14Å; W132-E138 HydrophobicContact CZ3-CG 4.17Å
133	I	93.9	Very high	91	Very high	17 Å²	17	57.7 Å²	57.7	9%	0.087	28%	0.276	C	S	.	.	S	Bend	trans	-106.6	-46.6	172	-53.4	173.5	0	0	0	109.7	L109 K121 I123 M148 Y152 I159	L109-I133 HydrophobicContact CD2-CD1 3.52Å; K121-I133 HydrophobicContact CB-CG2 3.7Å; K121-I133 HydrophobicContact CG-CG2 4.22Å; I123-I133 HydrophobicContact CG1-CG1 4.29Å; I133-M148 HydrophobicContact CD1-CE 3.97Å; I133-M148 HydrophobicContact CD1-SD 4.41Å; I133-M148 HydrophobicContact CG1-CE 3.89Å; I133-M148 HydrophobicContact CG1-SD 3.94Å; I133-Y152 WeakPolarHBondContact CB-OH 3.41Å; I133-Y152 HydrophobicContact CD1-CE1 4.07Å; I133-Y152 HydrophobicContact CD1-CE2 4.33Å; I133-I159 HydrophobicContact CD1-CD1 3.89Å; I133-I159 HydrophobicContact CG2-CD1 4.35Å
134	R	91.4	Very high	90.8	Very high	49 Å²	49	57.3 Å²	57.3	19%	0.185	27%	0.274	C	S	.	.	S	Bend	trans	-100.4	140.8	175.5	-51.6	177.1	-62.9	-162.4	2.9	110.6	E136 D137 E157	R134-E136 WeakPolarHBondContact CB-OE2 3.06Å; R134-E136 PolarHBondContact O-N 2.91Å; R134-E136 VanDerWaalsContact O-N 3.12Å; R134-D137 WeakPolarHBondContact CB-OD2 3.41Å; R134-D137 IonicContact CZ-OD1 2.75Å; R134-D137 IonicContact CZ-OD2 3.22Å; R134-D137 IonicContact NE-OD1 3.98Å; R134-D137 IonicContact NE-OD2 2.94Å; R134-D137 PolarHBondContact NE-OD2 2.51Å; R134-D137 IonicContact NH2-OD1 3.78Å; R134-D137 PolarHBondContact NH2-OD1 3.39Å; R134-D137 IonicContact NH2-OD2 3.96Å; R134-D137 PolarHBondContact NH2-OD2 3.03Å; R134-D137 VanDerWaalsContact NH2-OD2 3.13Å; R134-D137 WeakPolarHBondContact O-CB 3.46Å; R134-D137 PolarHBondContact O-N 2.81Å; R134-E157 IonicContact CZ-OE2 3.72Å; R134-E157 VanDerWaalsContact CZ-OE2 3.25Å; R134-E157 IonicContact NH1-OE2 2.71Å; R134-E157 PolarHBondContact NH1-OE2 3.5Å; R134-E157 IonicContact NH2-OE2 3.9Å; R134-E157 PolarHBondContact NH2-OE2 3.4Å
135	P	89.4	Confident	90.8	Very high	79 Å²	79	50.8 Å²	50.8	51%	0.513	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	-53.2	-32.9	179.9	-26.4	35.3	0	0	0	114.1	D137 E138	P135-D137 PolarHBondContact O-N 3.48Å; P135-E138 WeakPolarHBondContact O-CB 3.16Å; P135-E138 PolarHBondContact O-N 2.81Å
136	E	89.4	Confident	90.8	Very high	139 Å²	139	47.8 Å²	47.8	65%	0.65	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-69.6	-19.1	179.8	-56	73.9	-159.4	0	0	113.2	R134	R134-E136 WeakPolarHBondContact CB-OE2 3.06Å; R134-E136 PolarHBondContact O-N 2.91Å; R134-E136 VanDerWaalsContact O-N 3.12Å
137	D	89.5	Confident	90.9	Very high	8 Å²	8	46.4 Å²	46.4	4%	0.043	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-88.5	-4.8	178.8	-58.8	-40.8	0	0	0	112.5	W132 R134 P135 D139 L140 Y152	W132-D137 HydrophobicContact CB-CB 4.22Å; R134-D137 WeakPolarHBondContact CB-OD2 3.41Å; R134-D137 IonicContact CZ-OD1 2.75Å; R134-D137 IonicContact CZ-OD2 3.22Å; R134-D137 IonicContact NE-OD1 3.98Å; R134-D137 IonicContact NE-OD2 2.94Å; R134-D137 PolarHBondContact NE-OD2 2.51Å; R134-D137 IonicContact NH2-OD1 3.78Å; R134-D137 PolarHBondContact NH2-OD1 3.39Å; R134-D137 IonicContact NH2-OD2 3.96Å; R134-D137 PolarHBondContact NH2-OD2 3.03Å; R134-D137 VanDerWaalsContact NH2-OD2 3.13Å; R134-D137 WeakPolarHBondContact O-CB 3.46Å; R134-D137 PolarHBondContact O-N 2.81Å; P135-D137 PolarHBondContact O-N 3.48Å; D137-D139 PolarHBondContact O-N 3.15Å; D137-L140 HydrophobicContact CB-CD1 4.01Å; D137-L140 VanDerWaalsContact O-CB 3.27Å; D137-L140 WeakPolarHBondContact O-CB 3.31Å; D137-L140 PolarHBondContact O-N 2.95Å; D137-Y152 PolarHBondContact OD2-OH 3.27Å
138	E	89.1	Confident	91.1	Very high	76 Å²	76	36.1 Å²	36.1	36%	0.355	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-59	-34.9	179.1	-175.6	171.6	-172.2	0	0	111.9	N126 W132 P135 L140 R141	N126-E138 PolarHBondContact ND2-OE1 2.84Å; W132-E138 HydrophobicContact CD2-CB 4.03Å; W132-E138 HydrophobicContact CD2-CG 4.09Å; W132-E138 HydrophobicContact CE3-CB 4.29Å; W132-E138 HydrophobicContact CE3-CG 3.9Å; W132-E138 HydrophobicContact CG-CB 4.14Å; W132-E138 HydrophobicContact CZ3-CG 4.17Å; P135-E138 WeakPolarHBondContact O-CB 3.16Å; P135-E138 PolarHBondContact O-N 2.81Å; E138-L140 PolarHBondContact O-N 3.24Å; E138-R141 PolarHBondContact O-N 3.1Å
139	D	87.9	Confident	91.5	Very high	143 Å²	143	34.8 Å²	34.8	77%	0.765	17%	0.169	S	C	*	.	G	3₁₀ helix	trans	-68.3	-13	177.4	-71.9	-30.6	0	0	0	113.6	D137 R141	D137-D139 PolarHBondContact O-N 3.15Å; D139-R141 VanDerWaalsContact C-N 3.29Å
140	L	88.1	Confident	91.6	Very high	34 Å²	34	36.3 Å²	36.3	18%	0.178	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-78.3	-11.7	175.3	-60.4	175.8	0	0	0	113.1	L47 C59 D137 E138 F142 Y151	L47-L140 HydrophobicContact CD2-CD2 4.28Å; C59-L140 PolarHBondContact SG-O 3.09Å; D137-L140 HydrophobicContact CB-CD1 4.01Å; D137-L140 VanDerWaalsContact O-CB 3.27Å; D137-L140 WeakPolarHBondContact O-CB 3.31Å; D137-L140 PolarHBondContact O-N 2.95Å; E138-L140 PolarHBondContact O-N 3.24Å; L140-F142 VanDerWaalsContact C-N 3.35Å; L140-F142 HydrophobicContact CB-CD2 3.99Å; L140-F142 HydrophobicContact CB-CE2 3.47Å; L140-F142 VanDerWaalsContact CB-CE2 3.47Å; L140-F142 HydrophobicContact CB-CZ 3.87Å; L140-F142 HydrophobicContact CD1-CE2 3.62Å; L140-F142 HydrophobicContact CD1-CZ 3.86Å; L140-F142 HydrophobicContact CG-CE2 4.19Å; L140-F142 HydrophobicContact CG-CZ 4.48Å; L140-F142 PolarHBondContact O-N 3.28Å; L140-Y151 HydrophobicContact CD1-CD1 4.37Å; L140-Y151 HydrophobicContact CD1-CE1 3.69Å; L140-Y151 HydrophobicContact CD1-CE2 4.27Å
141	R	88.8	Confident	91.5	Very high	104 Å²	104	35.9 Å²	35.9	39%	0.392	17%	0.173	S	C	.	.			trans	54.7	39.8	167.9	-65.4	-178.6	177.6	-164.7	-0.2	115.3	D57 Y130 E138 D139 S143	D57-R141 WeakPolarHBondContact OD1-CD 3.43Å; D57-R141 IonicContact OD1-CZ 2.66Å; D57-R141 IonicContact OD1-NE 2.81Å; D57-R141 IonicContact OD1-NH1 3.49Å; D57-R141 PolarHBondContact OD1-NH1 3.37Å; D57-R141 IonicContact OD2-NH1 2.93Å; Y130-R141 HydrophobicContact CD1-CB 3.78Å; Y130-R141 HydrophobicContact CD1-CG 4.42Å; Y130-R141 WeakPolarHBondContact CD1-O 3.26Å; Y130-R141 HydrophobicContact CD2-CG 4.43Å; Y130-R141 HydrophobicContact CE1-CB 3.56Å; Y130-R141 HydrophobicContact CE1-CG 4.12Å; Y130-R141 WeakPolarHBondContact CE1-O 3.13Å; Y130-R141 HydrophobicContact CE2-CB 4.46Å; Y130-R141 HydrophobicContact CE2-CG 4.14Å; Y130-R141 HydrophobicContact CG-CB 4.25Å; E138-R141 PolarHBondContact O-N 3.1Å; D139-R141 VanDerWaalsContact C-N 3.29Å; R141-S143 PolarHBondContact O-N 2.89Å
142	F	92.2	Very high	91.4	Very high	1 Å²	1	35.8 Å²	35.8	0%	0.004	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-64.6	119.4	174.4	-60.2	-73	0	0	0	110.9	F46 C59 Y130 F131 L140 H147 M148 Y151	F46-F142 AromaticContact CE1-CE1 3.93Å; F46-F142 HydrophobicContact CE1-CE1 3.93Å; F46-F142 HydrophobicContact CE1-CZ 4.45Å; F46-F142 HydrophobicContact CZ-CD1 4.43Å; F46-F142 AromaticContact CZ-CE1 3.65Å; F46-F142 HydrophobicContact CZ-CE1 3.65Å; C59-F142 HydrophobicContact CB-CD1 4.43Å; Y130-F142 CarbonylContact C-O 3.56Å; Y130-F142 VanDerWaalsContact CA-O 3.23Å; Y130-F142 WeakPolarHBondContact CA-O 3.09Å; F131-F142 WeakPolarHBondContact CD2-O 3.23Å; F131-F142 PolarHBondContact N-O 3.31Å; L140-F142 VanDerWaalsContact C-N 3.35Å; L140-F142 HydrophobicContact CB-CD2 3.99Å; L140-F142 HydrophobicContact CB-CE2 3.47Å; L140-F142 VanDerWaalsContact CB-CE2 3.47Å; L140-F142 HydrophobicContact CB-CZ 3.87Å; L140-F142 HydrophobicContact CD1-CE2 3.62Å; L140-F142 HydrophobicContact CD1-CZ 3.86Å; L140-F142 HydrophobicContact CG-CE2 4.19Å; L140-F142 HydrophobicContact CG-CZ 4.48Å; L140-F142 PolarHBondContact O-N 3.28Å; F142-H147 HydrophobicContact CD1-CB 4.27Å; F142-M148 HydrophobicContact CB-CB 3.93Å; F142-M148 HydrophobicContact CB-CG 4.49Å; F142-M148 HydrophobicContact CD1-CB 4.1Å; F142-M148 HydrophobicContact CD2-CB 3.9Å; F142-M148 HydrophobicContact CD2-CG 3.72Å; F142-M148 HydrophobicContact CE2-CB 4.44Å; F142-M148 HydrophobicContact CE2-CG 4.07Å; F142-M148 HydrophobicContact CG-CB 3.71Å; F142-M148 HydrophobicContact CG-CG 4.08Å; F142-Y151 HydrophobicContact CE1-CD2 4.45Å; F142-Y151 HydrophobicContact CE1-CG 4.08Å; F142-Y151 HydrophobicContact CE2-CD1 4.28Å; F142-Y151 HydrophobicContact CE2-CG 4.46Å; F142-Y151 AromaticContact CZ-CD1 3.7Å; F142-Y151 HydrophobicContact CZ-CD1 3.7Å; F142-Y151 AromaticContact CZ-CD2 3.94Å; F142-Y151 HydrophobicContact CZ-CD2 3.94Å; F142-Y151 HydrophobicContact CZ-CE1 4.36Å; F142-Y151 AromaticContact CZ-CG 3.47Å; F142-Y151 HydrophobicContact CZ-CG 3.47Å; F142-Y151 VanDerWaalsContact CZ-CG 3.47Å
143	S	91.2	Very high	91.2	Very high	9 Å²	9	37.6 Å²	37.6	6%	0.063	18%	0.184	C	C	.	.	S	Bend	trans	-96.9	-4.3	177.7	68.7	0	0	0	0	114.1	F131 R141 S549	F131-S143 WeakPolarHBondContact CE2-O 3.39Å; R141-S143 PolarHBondContact O-N 2.89Å; S143-S549 WeakPolarHBondContact CB-O 3.27Å; S143-S549 PolarHBondContact O-N 3.38Å; S143-S549 VanDerWaalsContact O-N 3.12Å; S143-S549 PolarHBondContact OG-O 3.02Å
144	I	92.5	Very high	91	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.208	C	C	.	.	S	Bend	trans	-136	139.2	178.3	-49	175.8	0	0	0	108.3	E146 M148 L538 E548 I550	I144-E146 HydrophobicContact CG2-CB 4.3Å; I144-M148 PolarHBondContact O-N 2.75Å; I144-L538 HydrophobicContact CD1-CD1 4.09Å; I144-L538 HydrophobicContact CG1-CD1 4.15Å; I144-L538 HydrophobicContact CG2-CD1 4.39Å; I144-E548 WeakPolarHBondContact CG2-OE1 3.27Å; I144-I550 HydrophobicContact CD1-CG2 3.4Å; I144-I550 HydrophobicContact CG1-CG2 3.95Å
145	I	94.7	Very high	90.9	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-68.4	-36.7	-178.2	-67.9	173.4	0	0	0	111.7	L70 L73 I97 T107 I123 F131 H147 M148 I149 P546 E548	L70-I145 HydrophobicContact CB-CD1 4.44Å; L70-I145 HydrophobicContact CD1-CD1 4.13Å; L70-I145 HydrophobicContact CD1-CG2 4.45Å; L70-I145 HydrophobicContact CD2-CD1 4.04Å; L70-I145 HydrophobicContact CG-CD1 4.43Å; L73-I145 HydrophobicContact CD1-CG2 4.32Å; I97-I145 HydrophobicContact CD1-CG2 3.53Å; T107-I145 HydrophobicContact CG2-CD1 3.99Å; I123-I145 HydrophobicContact CD1-CG2 4.14Å; I123-I145 HydrophobicContact CG2-CD1 4.48Å; I123-I145 HydrophobicContact CG2-CG1 4.45Å; F131-I145 HydrophobicContact CD1-CD1 4.43Å; F131-I145 HydrophobicContact CD1-CG1 4.11Å; F131-I145 HydrophobicContact CD2-CG1 4.09Å; F131-I145 HydrophobicContact CE1-CD1 4.28Å; F131-I145 HydrophobicContact CE1-CG1 4.27Å; F131-I145 HydrophobicContact CE2-CG1 4.26Å; F131-I145 HydrophobicContact CG-CG1 4.01Å; F131-I145 HydrophobicContact CZ-CG1 4.34Å; I145-H147 VanDerWaalsContact C-N 3.33Å; I145-H147 PolarHBondContact O-N 2.84Å; I145-M148 HydrophobicContact CG2-CE 4.43Å; I145-M148 WeakPolarHBondContact O-CB 3.47Å; I145-M148 PolarHBondContact O-N 3.15Å; I145-I149 HydrophobicContact CG2-CG1 4.09Å; I145-I149 WeakPolarHBondContact O-CG1 3.39Å; I145-I149 PolarHBondContact O-N 2.74Å; I145-P546 HydrophobicContact CD1-CG 3.89Å; I145-E548 WeakPolarHBondContact CB-OE1 3.09Å; I145-E548 PolarHBondContact N-OE1 3.12Å
146	E	94.2	Very high	90.9	Very high	4 Å²	4	45.4 Å²	45.4	2%	0.019	22%	0.218	C	C	.	.	H	α-helix	trans	-53.9	-50.2	178.1	-159.7	179.5	-145.9	0	0	111	L62 G67 R68 L73 I144 M148 I149 E150 R562	L62-E146 HydrophobicContact CD1-CG 4.39Å; G67-E146 WeakPolarHBondContact CA-OE2 3.41Å; R68-E146 PolarHBondContact N-OE2 2.82Å; R68-E146 IonicContact NH1-OE1 3.1Å; L73-E146 HydrophobicContact CD2-CB 3.83Å; L73-E146 HydrophobicContact CD2-CG 3.61Å; I144-E146 HydrophobicContact CG2-CB 4.3Å; E146-M148 VanDerWaalsContact C-N 3.32Å; E146-M148 PolarHBondContact O-N 2.98Å; E146-I149 PolarHBondContact O-N 2.82Å; E146-I149 VanDerWaalsContact O-N 3.1Å; E146-E150 PolarHBondContact O-N 3.42Å; E146-R562 IonicContact OE1-CZ 2.76Å; E146-R562 IonicContact OE1-NH1 2.64Å; E146-R562 IonicContact OE1-NH2 3.68Å; E146-R562 PolarHBondContact OE1-NH2 3.07Å; E146-R562 IonicContact OE2-CZ 3.26Å; E146-R562 IonicContact OE2-NH1 3.9Å; E146-R562 PolarHBondContact OE2-NH1 3.34Å; E146-R562 IonicContact OE2-NH2 2.82Å; E146-R562 PolarHBondContact OE2-NH2 3.17Å
147	H	91.7	Very high	91	Very high	8 Å²	8	39.7 Å²	39.7	4%	0.037	19%	0.191	C	C	.	.	H	α-helix	trans	-62.2	-39.5	-178.9	-62.7	176.5	0	0	0	112.1	G67 F142 I145 Y151	G67-H147 VanDerWaalsContact CA-NE2 3.28Å; G67-H147 WeakPolarHBondContact CA-NE2 3.49Å; G67-H147 PolarHBondContact N-NE2 2.71Å; F142-H147 HydrophobicContact CD1-CB 4.27Å; I145-H147 VanDerWaalsContact C-N 3.33Å; I145-H147 PolarHBondContact O-N 2.84Å; H147-Y151 WeakPolarHBondContact O-CB 3.43Å; H147-Y151 PolarHBondContact O-N 2.72Å
148	M	92.9	Very high	91.1	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-61.5	-48.8	174	-174.5	-172.2	66.7	0	0	110.4	I123 F131 I133 F142 I144 I145 E146 E150 Y151 Y152	I123-M148 HydrophobicContact CB-CE 4.42Å; I123-M148 HydrophobicContact CD1-CE 3.75Å; I123-M148 HydrophobicContact CG1-CE 3.96Å; I123-M148 HydrophobicContact CG2-CE 3.66Å; I123-M148 HydrophobicContact CG2-SD 4.3Å; F131-M148 HydrophobicContact CB-SD 4.08Å; I133-M148 HydrophobicContact CD1-CE 3.97Å; I133-M148 HydrophobicContact CD1-SD 4.41Å; I133-M148 HydrophobicContact CG1-CE 3.89Å; I133-M148 HydrophobicContact CG1-SD 3.94Å; F142-M148 HydrophobicContact CB-CB 3.93Å; F142-M148 HydrophobicContact CB-CG 4.49Å; F142-M148 HydrophobicContact CD1-CB 4.1Å; F142-M148 HydrophobicContact CD2-CB 3.9Å; F142-M148 HydrophobicContact CD2-CG 3.72Å; F142-M148 HydrophobicContact CE2-CB 4.44Å; F142-M148 HydrophobicContact CE2-CG 4.07Å; F142-M148 HydrophobicContact CG-CB 3.71Å; F142-M148 HydrophobicContact CG-CG 4.08Å; I144-M148 PolarHBondContact O-N 2.75Å; I145-M148 HydrophobicContact CG2-CE 4.43Å; I145-M148 WeakPolarHBondContact O-CB 3.47Å; I145-M148 PolarHBondContact O-N 3.15Å; E146-M148 VanDerWaalsContact C-N 3.32Å; E146-M148 PolarHBondContact O-N 2.98Å; M148-E150 VanDerWaalsContact C-N 3.33Å; M148-E150 PolarHBondContact O-N 3.23Å; M148-Y151 WeakPolarHBondContact O-CB 3.07Å; M148-Y151 PolarHBondContact O-N 3.21Å; M148-Y152 HydrophobicContact CG-CD2 4.12Å; M148-Y152 HydrophobicContact CG-CE2 3.94Å; M148-Y152 VanDerWaalsContact O-CD2 3.24Å; M148-Y152 WeakPolarHBondContact O-CD2 3.24Å; M148-Y152 PolarHBondContact O-N 2.93Å
149	I	94.3	Very high	91.3	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-61.4	-42.7	-179.2	-66.6	-64	0	0	0	111.6	Y75 F95 I97 L109 I145 E146 Y151 Y152 I153 L169	Y75-I149 HydrophobicContact CE2-CG1 4.41Å; Y75-I149 HydrophobicContact CE2-CG2 4.34Å; F95-I149 HydrophobicContact CE2-CG2 3.73Å; F95-I149 HydrophobicContact CZ-CG2 3.8Å; I97-I149 HydrophobicContact CD1-CD1 3.84Å; I97-I149 HydrophobicContact CD1-CG1 3.81Å; L109-I149 HydrophobicContact CD1-CD1 4.06Å; L109-I149 HydrophobicContact CD2-CD1 4.47Å; I145-I149 HydrophobicContact CG2-CG1 4.09Å; I145-I149 WeakPolarHBondContact O-CG1 3.39Å; I145-I149 PolarHBondContact O-N 2.74Å; E146-I149 PolarHBondContact O-N 2.82Å; E146-I149 VanDerWaalsContact O-N 3.1Å; I149-Y151 VanDerWaalsContact C-N 3.34Å; I149-Y151 PolarHBondContact O-N 3.2Å; I149-Y152 PolarHBondContact O-N 2.88Å; I149-Y152 VanDerWaalsContact O-N 3.17Å; I149-I153 HydrophobicContact CG2-CD1 3.79Å; I149-I153 HydrophobicContact CG2-CG1 4.43Å; I149-I153 WeakPolarHBondContact O-CG1 3.41Å; I149-I153 PolarHBondContact O-N 2.9Å; I149-L169 HydrophobicContact CD1-CD1 4.05Å; I149-L169 HydrophobicContact CG2-CD1 4.32Å
150	E	90.7	Very high	91.3	Very high	43 Å²	43	38.6 Å²	38.6	20%	0.201	18%	0.181	C	C	.	.	H	α-helix	trans	-69.4	-33.4	179.7	-72.2	160.1	145.4	0	0	112.8	L62 E146 M148 I153 T154	L62-E150 WeakPolarHBondContact CD1-OE1 3.29Å; L62-E150 WeakPolarHBondContact CD1-OE2 3.09Å; L62-E150 HydrophobicContact CD2-CB 4Å; L62-E150 HydrophobicContact CD2-CG 4Å; L62-E150 VanDerWaalsContact CD2-OE1 3.25Å; L62-E150 WeakPolarHBondContact CD2-OE1 3.36Å; L62-E150 WeakPolarHBondContact CD2-OE2 3.34Å; L62-E150 WeakPolarHBondContact CG-OE2 3.48Å; E146-E150 PolarHBondContact O-N 3.42Å; M148-E150 VanDerWaalsContact C-N 3.33Å; M148-E150 PolarHBondContact O-N 3.23Å; E150-I153 PolarHBondContact O-N 3.2Å; E150-T154 WeakPolarHBondContact O-CB 3.38Å; E150-T154 PolarHBondContact O-N 3.12Å; E150-T154 PolarHBondContact O-OG1 3.44Å
151	Y	90.3	Very high	90.7	Very high	17 Å²	17	39.8 Å²	39.8	7%	0.067	19%	0.187	C	C	.	.	H	α-helix	trans	-57.7	-50.2	168.1	172.9	-91.7	0	0	0	110.5	F46 L140 F142 H147 M148 I149 I153 T154 Y155 E157	F46-Y151 AromaticContact CD1-CD2 3.75Å; F46-Y151 HydrophobicContact CD1-CD2 3.75Å; F46-Y151 HydrophobicContact CD1-CE2 4.31Å; F46-Y151 AromaticContact CE1-CD2 3.81Å; F46-Y151 HydrophobicContact CE1-CD2 3.81Å; F46-Y151 HydrophobicContact CG-CD2 4.43Å; L140-Y151 HydrophobicContact CD1-CD1 4.37Å; L140-Y151 HydrophobicContact CD1-CE1 3.69Å; L140-Y151 HydrophobicContact CD1-CE2 4.27Å; F142-Y151 HydrophobicContact CE1-CD2 4.45Å; F142-Y151 HydrophobicContact CE1-CG 4.08Å; F142-Y151 HydrophobicContact CE2-CD1 4.28Å; F142-Y151 HydrophobicContact CE2-CG 4.46Å; F142-Y151 AromaticContact CZ-CD1 3.7Å; F142-Y151 HydrophobicContact CZ-CD1 3.7Å; F142-Y151 AromaticContact CZ-CD2 3.94Å; F142-Y151 HydrophobicContact CZ-CD2 3.94Å; F142-Y151 HydrophobicContact CZ-CE1 4.36Å; F142-Y151 AromaticContact CZ-CG 3.47Å; F142-Y151 HydrophobicContact CZ-CG 3.47Å; F142-Y151 VanDerWaalsContact CZ-CG 3.47Å; H147-Y151 WeakPolarHBondContact O-CB 3.43Å; H147-Y151 PolarHBondContact O-N 2.72Å; M148-Y151 WeakPolarHBondContact O-CB 3.07Å; M148-Y151 PolarHBondContact O-N 3.21Å; I149-Y151 VanDerWaalsContact C-N 3.34Å; I149-Y151 PolarHBondContact O-N 3.2Å; Y151-I153 VanDerWaalsContact C-N 3.33Å; Y151-I153 PolarHBondContact O-N 3.21Å; Y151-T154 PolarHBondContact O-N 3.16Å; Y151-Y155 AromaticContact CD2-CD2 3.31Å; Y151-Y155 HydrophobicContact CD2-CD2 3.31Å; Y151-Y155 AromaticContact CD2-CE2 3.49Å; Y151-Y155 HydrophobicContact CD2-CE2 3.49Å; Y151-Y155 VanDerWaalsContact CD2-CE2 3.49Å; Y151-Y155 HydrophobicContact CD2-CG 4.41Å; Y151-Y155 AromaticContact CE2-CD2 3.35Å; Y151-Y155 HydrophobicContact CE2-CD2 3.35Å; Y151-Y155 AromaticContact CE2-CE2 3.57Å; Y151-Y155 HydrophobicContact CE2-CE2 3.57Å; Y151-Y155 HydrophobicContact CE2-CG 4.12Å; Y151-Y155 AromaticContact CG-CD2 3.94Å; Y151-Y155 HydrophobicContact CG-CD2 3.94Å; Y151-Y155 HydrophobicContact CG-CE2 4.46Å; Y151-Y155 WeakPolarHBondContact O-CB 2.95Å; Y151-Y155 WeakPolarHBondContact O-CD2 3.37Å; Y151-Y155 PolarHBondContact O-N 2.92Å; Y151-E157 HydrophobicContact CD1-CG 4.47Å; Y151-E157 HydrophobicContact CE1-CG 3.85Å
152	Y	92.5	Very high	89.9	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-61.5	-39.5	179.9	-87	-108.6	0	0	0	112.8	I133 D137 M148 I149 K156 E157 I159	I133-Y152 WeakPolarHBondContact CB-OH 3.41Å; I133-Y152 HydrophobicContact CD1-CE1 4.07Å; I133-Y152 HydrophobicContact CD1-CE2 4.33Å; D137-Y152 PolarHBondContact OD2-OH 3.27Å; M148-Y152 HydrophobicContact CG-CD2 4.12Å; M148-Y152 HydrophobicContact CG-CE2 3.94Å; M148-Y152 VanDerWaalsContact O-CD2 3.24Å; M148-Y152 WeakPolarHBondContact O-CD2 3.24Å; M148-Y152 PolarHBondContact O-N 2.93Å; I149-Y152 PolarHBondContact O-N 2.88Å; I149-Y152 VanDerWaalsContact O-N 3.17Å; Y152-K156 WeakPolarHBondContact O-CA 3.4Å; Y152-K156 PolarHBondContact O-N 3.24Å; Y152-E157 HydrophobicContact CD1-CB 3.59Å; Y152-E157 HydrophobicContact CE1-CB 3.99Å; Y152-E157 HydrophobicContact CG-CB 4.06Å; Y152-E157 PolarHBondContact O-N 3Å; Y152-I159 HydrophobicContact CD1-CD1 3.52Å; Y152-I159 HydrophobicContact CD1-CG1 4.41Å; Y152-I159 HydrophobicContact CE1-CD1 3.36Å
153	I	91.6	Very high	88.9	Confident	58 Å²	58	45.2 Å²	45.2	30%	0.297	24%	0.24	S	C	.	.	H	α-helix	trans	-66.3	-50.7	174.9	-66.9	166.9	0	0	0	110.8	F95 I149 E150 Y151 Y155 K156 L169	F95-I153 HydrophobicContact CE1-CD1 3.92Å; F95-I153 HydrophobicContact CE1-CG1 4.38Å; F95-I153 HydrophobicContact CZ-CD1 3.76Å; I149-I153 HydrophobicContact CG2-CD1 3.79Å; I149-I153 HydrophobicContact CG2-CG1 4.43Å; I149-I153 WeakPolarHBondContact O-CG1 3.41Å; I149-I153 PolarHBondContact O-N 2.9Å; E150-I153 PolarHBondContact O-N 3.2Å; Y151-I153 VanDerWaalsContact C-N 3.33Å; Y151-I153 PolarHBondContact O-N 3.21Å; I153-Y155 PolarHBondContact O-N 3.31Å; I153-K156 PolarHBondContact O-N 2.95Å; I153-L169 HydrophobicContact CG1-CB 3.66Å; I153-L169 HydrophobicContact CG1-CD1 4.47Å
154	T	88.4	Confident	88.1	Confident	99 Å²	99	51.8 Å²	51.8	61%	0.607	27%	0.27	S	S	*	.	H	α-helix	trans	-63.5	-42.8	-173.8	-60.1	0	0	0	0	111.5	E150 Y151	E150-T154 WeakPolarHBondContact O-CB 3.38Å; E150-T154 PolarHBondContact O-N 3.12Å; E150-T154 PolarHBondContact O-OG1 3.44Å; Y151-T154 PolarHBondContact O-N 3.16Å
155	Y	88.9	Confident	87.6	Confident	54 Å²	54	54.2 Å²	54.2	21%	0.212	28%	0.28	C	S	.	.	H	α-helix	trans	-92.4	-0.5	-177.9	-69.3	-75.4	0	0	0	113.9	S45 F46 Y151 I153 E157	S45-Y155 WeakPolarHBondContact CB-OH 3.49Å; F46-Y155 HydrophobicContact CB-CE2 3.64Å; F46-Y155 VanDerWaalsContact CB-OH 3.24Å; F46-Y155 WeakPolarHBondContact CB-OH 3.45Å; F46-Y155 HydrophobicContact CD1-CE2 4.36Å; F46-Y155 HydrophobicContact CG-CE2 4.23Å; F46-Y155 PolarHBondContact N-OH 3.22Å; Y151-Y155 AromaticContact CD2-CD2 3.31Å; Y151-Y155 HydrophobicContact CD2-CD2 3.31Å; Y151-Y155 AromaticContact CD2-CE2 3.49Å; Y151-Y155 HydrophobicContact CD2-CE2 3.49Å; Y151-Y155 VanDerWaalsContact CD2-CE2 3.49Å; Y151-Y155 HydrophobicContact CD2-CG 4.41Å; Y151-Y155 AromaticContact CE2-CD2 3.35Å; Y151-Y155 HydrophobicContact CE2-CD2 3.35Å; Y151-Y155 AromaticContact CE2-CE2 3.57Å; Y151-Y155 HydrophobicContact CE2-CE2 3.57Å; Y151-Y155 HydrophobicContact CE2-CG 4.12Å; Y151-Y155 AromaticContact CG-CD2 3.94Å; Y151-Y155 HydrophobicContact CG-CD2 3.94Å; Y151-Y155 HydrophobicContact CG-CE2 4.46Å; Y151-Y155 WeakPolarHBondContact O-CB 2.95Å; Y151-Y155 WeakPolarHBondContact O-CD2 3.37Å; Y151-Y155 PolarHBondContact O-N 2.92Å; I153-Y155 PolarHBondContact O-N 3.31Å; Y155-E157 PolarHBondContact O-N 3.04Å
156	K	90.9	Very high	87.3	Confident	156 Å²	156	56.5 Å²	56.5	68%	0.678	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	45.7	-177.6	-60.1	-175.4	179.4	-174.5	0	111.7	Y152 I153 V168	Y152-K156 WeakPolarHBondContact O-CA 3.4Å; Y152-K156 PolarHBondContact O-N 3.24Å; I153-K156 PolarHBondContact O-N 2.95Å; K156-V168 HydrophobicContact CB-CG1 3.79Å; K156-V168 HydrophobicContact CG-CG1 4.2Å
157	E	91.2	Very high	87.2	Confident	20 Å²	20	56.6 Å²	56.6	9%	0.093	30%	0.298	C	S	.	.			trans	-70.7	133.2	179.1	-69.9	-70.4	162.1	0	0	109.8	K34 R134 Y151 Y152 Y155	K34-E157 VanDerWaalsContact NZ-CD 3.31Å; K34-E157 IonicContact NZ-OE1 2.75Å; K34-E157 PolarHBondContact NZ-OE1 3.22Å; K34-E157 IonicContact NZ-OE2 2.71Å; K34-E157 PolarHBondContact NZ-OE2 3.45Å; R134-E157 IonicContact CZ-OE2 3.72Å; R134-E157 VanDerWaalsContact CZ-OE2 3.25Å; R134-E157 IonicContact NH1-OE2 2.71Å; R134-E157 PolarHBondContact NH1-OE2 3.5Å; R134-E157 IonicContact NH2-OE2 3.9Å; R134-E157 PolarHBondContact NH2-OE2 3.4Å; Y151-E157 HydrophobicContact CD1-CG 4.47Å; Y151-E157 HydrophobicContact CE1-CG 3.85Å; Y152-E157 HydrophobicContact CD1-CB 3.59Å; Y152-E157 HydrophobicContact CE1-CB 3.99Å; Y152-E157 HydrophobicContact CG-CB 4.06Å; Y152-E157 PolarHBondContact O-N 3Å; Y155-E157 PolarHBondContact O-N 3.04Å
158	E	91.8	Very high	87.3	Confident	90 Å²	90	58.5 Å²	58.5	42%	0.421	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	132.7	-177.6	-69.9	-175.2	-150.3	0	0	111.5	S166 V168	E158-S166 VanDerWaalsContact OE2-CB 3.31Å; E158-S166 WeakPolarHBondContact OE2-CB 3.39Å; E158-S166 PolarHBondContact OE2-OG 3.19Å; E158-V168 HydrophobicContact CG-CG2 3.92Å
159	I	92.2	Very high	87.3	Confident	3 Å²	3	58.7 Å²	58.7	2%	0.015	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	98.6	170.1	-55.3	-65.3	0	0	0	107.7	L109 V111 I119 K121 I133 Y152 S166 A167 L169	L109-I159 HydrophobicContact CD2-CD1 3.96Å; L109-I159 HydrophobicContact CD2-CG1 4.24Å; V111-I159 HydrophobicContact CG1-CB 4.08Å; V111-I159 HydrophobicContact CG1-CG1 4.39Å; V111-I159 HydrophobicContact CG1-CG2 3.97Å; I119-I159 HydrophobicContact CG2-CG2 3.94Å; K121-I159 HydrophobicContact CB-CG2 4.41Å; K121-I159 HydrophobicContact CG-CG2 3.67Å; I133-I159 HydrophobicContact CD1-CD1 3.89Å; I133-I159 HydrophobicContact CG2-CD1 4.35Å; Y152-I159 HydrophobicContact CD1-CD1 3.52Å; Y152-I159 HydrophobicContact CD1-CG1 4.41Å; Y152-I159 HydrophobicContact CE1-CD1 3.36Å; I159-S166 WeakPolarHBondContact O-CA 3.22Å; I159-A167 PolarHBondContact N-O 3.2Å; I159-A167 PolarHBondContact O-N 3.44Å; I159-A167 VanDerWaalsContact O-N 3.08Å; I159-L169 HydrophobicContact CG1-CD2 4.3Å
160	E	87.5	Confident	87.2	Confident	111 Å²	111	62.2 Å²	62.2	52%	0.519	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	121.4	-178.1	-62.9	176.7	-168.7	0	0	111	K121 F165	K121-E160 WeakPolarHBondContact CE-O 3.35Å; K121-E160 PolarHBondContact NZ-O 3.25Å; E160-F165 CarbonylContact C-O 3.58Å; E160-F165 WeakPolarHBondContact CA-O 3.33Å
161	N	77.4	Confident	87.2	Confident	58 Å²	58	65.6 Å²	65.6	31%	0.31	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	-54.4	171.8	-164.4	8.3	0	0	0	110.6	I119 K121 F165	I119-N161 HydrophobicContact CB-CB 4.28Å; I119-N161 HydrophobicContact CD1-CB 3.98Å; I119-N161 HydrophobicContact CG1-CB 3.87Å; I119-N161 HydrophobicContact CG2-CB 3.66Å; K121-N161 PolarHBondContact NZ-O 3.02Å; K121-N161 VanDerWaalsContact NZ-O 3.12Å; N161-F165 HydrophobicContact CB-CB 4.23Å; N161-F165 PolarHBondContact N-O 2.84Å
162	N	71.8	Confident	87.3	Confident	109 Å²	109	66.6 Å²	66.6	58%	0.583	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-147.4	175.6	176.6	-69.8	-38	0	0	0	107.7	E164 F165	N162-E164 PolarHBondContact O-N 2.64Å; N162-F165 PolarHBondContact O-N 3.09Å; N162-F165 VanDerWaalsContact O-N 3.09Å
163	A	70.1	Confident	87.2	Confident	111 Å²	111	68 Å²	68	92%	0.917	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-13	-177.1	0	0	0	0	0	116.4
164	E	74.3	Confident	87	Confident	147 Å²	147	70 Å²	70	69%	0.687	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.7	-16.5	-178.5	-65.4	-171	173.5	0	0	115.1	N162	N162-E164 PolarHBondContact O-N 2.64Å
165	F	81.9	Confident	86.9	Confident	50 Å²	50	66.2 Å²	66.2	22%	0.219	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	116.3	-170.7	-54.8	-84.5	0	0	0	110.5	D113 I119 E160 N161 N162	D113-F165 VanDerWaalsContact OD2-CD1 3.23Å; D113-F165 WeakPolarHBondContact OD2-CD1 3.24Å; I119-F165 HydrophobicContact CD1-CB 4.36Å; E160-F165 CarbonylContact C-O 3.58Å; E160-F165 WeakPolarHBondContact CA-O 3.33Å; N161-F165 HydrophobicContact CB-CB 4.23Å; N161-F165 PolarHBondContact N-O 2.84Å; N162-F165 PolarHBondContact O-N 3.09Å; N162-F165 VanDerWaalsContact O-N 3.09Å
166	S	88.9	Confident	86.4	Confident	48 Å²	48	67.4 Å²	67.4	34%	0.336	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	150.8	171.4	70.7	0	0	0	0	111	E158 I159	E158-S166 VanDerWaalsContact OE2-CB 3.31Å; E158-S166 WeakPolarHBondContact OE2-CB 3.39Å; E158-S166 PolarHBondContact OE2-OG 3.19Å; I159-S166 WeakPolarHBondContact O-CA 3.22Å
167	A	91.7	Very high	85.9	Confident	7 Å²	7	63.6 Å²	63.6	6%	0.058	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	151.5	175.5	0	0	0	0	0	110.2	V111 D113 I119 I159	V111-A167 HydrophobicContact CB-CB 4.47Å; V111-A167 HydrophobicContact CG1-CB 3.91Å; V111-A167 HydrophobicContact CG2-CB 3.72Å; D113-A167 HydrophobicContact CB-CB 4.1Å; I119-A167 HydrophobicContact CD1-CB 4Å; I159-A167 PolarHBondContact N-O 3.2Å; I159-A167 PolarHBondContact O-N 3.44Å; I159-A167 VanDerWaalsContact O-N 3.08Å
168	V	93.4	Very high	85.2	Confident	48 Å²	48	65.6 Å²	65.6	29%	0.291	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	136.8	173.1	176.5	0	0	0	0	108.7	G93 K156 E158 S170	G93-V168 WeakPolarHBondContact CA-O 3.44Å; K156-V168 HydrophobicContact CB-CG1 3.79Å; K156-V168 HydrophobicContact CG-CG1 4.2Å; E158-V168 HydrophobicContact CG-CG2 3.92Å; V168-S170 PolarHBondContact O-N 2.83Å
169	L	94.2	Very high	84.5	Confident	3 Å²	3	63.3 Å²	63.3	2%	0.016	36%	0.357	C	S	.	.			trans	-66.5	118.1	175.9	-52.7	-173.7	0	0	0	109.9	F95 L109 V111 I149 I153 I159	F95-L169 HydrophobicContact CB-CD2 3.74Å; F95-L169 HydrophobicContact CD1-CB 3.89Å; F95-L169 HydrophobicContact CD1-CD2 4.06Å; F95-L169 HydrophobicContact CD1-CG 4.44Å; F95-L169 HydrophobicContact CD2-CD2 4.48Å; F95-L169 HydrophobicContact CE1-CB 4.05Å; F95-L169 HydrophobicContact CG-CB 4.48Å; F95-L169 HydrophobicContact CG-CD2 3.85Å; L109-L169 HydrophobicContact CD1-CD2 4.27Å; L109-L169 HydrophobicContact CD2-CD1 4.19Å; L109-L169 HydrophobicContact CD2-CD2 4.08Å; V111-L169 HydrophobicContact CB-CD2 3.88Å; V111-L169 HydrophobicContact CG1-CD2 4.39Å; V111-L169 HydrophobicContact CG2-CD2 3.78Å; I149-L169 HydrophobicContact CD1-CD1 4.05Å; I149-L169 HydrophobicContact CG2-CD1 4.32Å; I153-L169 HydrophobicContact CG1-CB 3.66Å; I153-L169 HydrophobicContact CG1-CD1 4.47Å; I159-L169 HydrophobicContact CG1-CD2 4.3Å
170	S	91.1	Very high	84	Confident	75 Å²	75	66.3 Å²	66.3	52%	0.524	37%	0.37	S	S	.	.			trans	-117	-45.8	-179.3	73.4	0	0	0	0	112.2	G93 V168	G93-S170 WeakPolarHBondContact CA-OG 3.48Å; G93-S170 PolarHBondContact O-N 3.4Å; G93-S170 PolarHBondContact O-OG 2.87Å; G93-S170 VanDerWaalsContact O-OG 3.05Å; V168-S170 PolarHBondContact O-N 2.83Å
171	K	90.8	Very high	83.8	Confident	114 Å²	114	62.1 Å²	62.1	50%	0.496	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	124.9	-172.3	179.7	-178.9	165.8	-143.1	0	112.3	G93 E94 F95	G93-K171 PolarHBondContact O-N 2.72Å; E94-K171 WeakPolarHBondContact CA-O 3.42Å; E94-K171 HydrophobicContact CG-CB 4.26Å; E94-K171 HydrophobicContact CG-CD 4.43Å; E94-K171 IonicContact OE1-NZ 2.82Å; E94-K171 PolarHBondContact OE1-NZ 2.9Å; F95-K171 WeakPolarHBondContact CD1-O 3.5Å; F95-K171 VanDerWaalsContact CE1-C 3.42Å; F95-K171 PolarHBondContact N-O 3.35Å; F95-K171 VanDerWaalsContact N-O 3.07Å
172	P	93.1	Very high	84	Confident	38 Å²	38	61.6 Å²	61.6	25%	0.247	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	142.2	176	26.6	-32.1	0	0	0	111.7	Y75 F95	Y75-P172 HydrophobicContact CD1-CB 3.4Å; Y75-P172 VanDerWaalsContact CD1-CB 3.4Å; Y75-P172 HydrophobicContact CD1-CG 4.23Å; Y75-P172 HydrophobicContact CE1-CB 4.28Å; Y75-P172 HydrophobicContact CG-CB 3.79Å; F95-P172 HydrophobicContact CE1-CB 4.07Å; F95-P172 HydrophobicContact CE2-CB 4.11Å; F95-P172 HydrophobicContact CZ-CB 3.66Å; F95-P172 HydrophobicContact CZ-CG 4.35Å
173	I	90.4	Very high	84.7	Confident	30 Å²	30	59.3 Å²	59.3	15%	0.154	34%	0.336	C	S	.	.			trans	-94.9	113.8	169.1	-66.5	170.1	0	0	0	108.7	Y75 H77 L90 E94 F95 N175	Y75-I173 VanDerWaalsContact CA-O 3.29Å; Y75-I173 WeakPolarHBondContact CA-O 3.44Å; Y75-I173 WeakPolarHBondContact CB-O 3.4Å; H77-I173 PolarHBondContact NE2-O 2.87Å; L90-I173 HydrophobicContact CB-CD1 4.46Å; L90-I173 HydrophobicContact CD2-CD1 2.96Å; L90-I173 HydrophobicContact CD2-CG1 4.44Å; L90-I173 HydrophobicContact CG-CD1 4.25Å; E94-I173 HydrophobicContact CB-CD1 3.67Å; E94-I173 HydrophobicContact CB-CG1 3.89Å; E94-I173 HydrophobicContact CG-CG1 4.5Å; F95-I173 PolarHBondContact O-N 2.95Å; I173-N175 PolarHBondContact O-N 3Å
174	H	87.2	Confident	85.6	Confident	98 Å²	98	54.8 Å²	54.8	45%	0.454	30%	0.296	S	S	.	.			trans	-68.5	134	179.4	-71.3	-112.5	0	0	0	110.6	P74 P176 V179	P74-H174 WeakPolarHBondContact CB-ND1 3.2Å; P74-H174 CarbonylContact O-C 3.6Å; P74-H174 WeakPolarHBondContact O-CA 3.45Å; H174-P176 VanDerWaalsContact O-CD 3.27Å; H174-P176 WeakPolarHBondContact O-CD 3.31Å; H174-P176 VanDerWaalsContact O-N 3.16Å; H174-V179 HydrophobicContact CB-CG2 3.84Å
175	N	85.9	Confident	86.2	Confident	20 Å²	20	48.7 Å²	48.7	11%	0.107	27%	0.267	C	S	.	.			trans	-57.2	117.1	171.9	-178.7	-21.3	0	0	0	109.3	P74 F76 I173 S177 K178 V179	P74-N175 PolarHBondContact O-N 3.41Å; F76-N175 WeakPolarHBondContact O-CB 3.46Å; F76-N175 PolarHBondContact O-ND2 3.46Å; I173-N175 PolarHBondContact O-N 3Å; N175-S177 PolarHBondContact O-N 2.75Å; N175-S177 VanDerWaalsContact O-N 3.15Å; N175-S177 VanDerWaalsContact OD1-CB 3.27Å; N175-S177 WeakPolarHBondContact OD1-CB 3.42Å; N175-S177 PolarHBondContact OD1-N 2.97Å; N175-S177 PolarHBondContact OD1-OG 3.22Å; N175-K178 HydrophobicContact CB-CB 4.48Å; N175-K178 HydrophobicContact CB-CD 4.5Å; N175-K178 HydrophobicContact CB-CG 4.3Å; N175-K178 PolarHBondContact O-N 3.23Å; N175-V179 PolarHBondContact O-N 3.38Å
176	P	79.4	Confident	86.1	Confident	80 Å²	80	50.6 Å²	50.6	52%	0.519	28%	0.28	S	S	.	.	H	α-helix	trans	-56	-33.4	-179	-26.6	35.4	0	0	0	112.9	H174 K178 V179 K180	H174-P176 VanDerWaalsContact O-CD 3.27Å; H174-P176 WeakPolarHBondContact O-CD 3.31Å; H174-P176 VanDerWaalsContact O-N 3.16Å; P176-K178 VanDerWaalsContact C-N 3.34Å; P176-K178 PolarHBondContact O-N 3.29Å; P176-V179 PolarHBondContact O-N 2.97Å; P176-K180 WeakPolarHBondContact O-CB 3.35Å; P176-K180 PolarHBondContact O-N 3.39Å
177	S	78.8	Confident	85.8	Confident	75 Å²	75	48.6 Å²	48.6	52%	0.524	27%	0.266	S	S	.	.	H	α-helix	trans	-63.4	-38.9	179.2	-54.8	0	0	0	0	112.1	N175 N181	N175-S177 PolarHBondContact O-N 2.75Å; N175-S177 VanDerWaalsContact O-N 3.15Å; N175-S177 VanDerWaalsContact OD1-CB 3.27Å; N175-S177 WeakPolarHBondContact OD1-CB 3.42Å; N175-S177 PolarHBondContact OD1-N 2.97Å; N175-S177 PolarHBondContact OD1-OG 3.22Å; S177-N181 VanDerWaalsContact O-CG 3.29Å; S177-N181 PolarHBondContact O-N 3.31Å; S177-N181 PolarHBondContact O-ND2 2.71Å
178	K	78.1	Confident	85.2	Confident	63 Å²	63	56.2 Å²	56.2	27%	0.274	30%	0.298	S	S	.	.	H	α-helix	trans	-69.1	-38.8	175.6	-70.5	-171.4	172.6	-173.2	0	111.8	L71 E72 L73 N175 P176	L71-K178 WeakPolarHBondContact O-CE 3.46Å; L71-K178 PolarHBondContact O-NZ 3.23Å; E72-K178 PolarHBondContact O-NZ 3.06Å; E72-K178 VanDerWaalsContact O-NZ 3.12Å; L73-K178 PolarHBondContact O-NZ 3.25Å; N175-K178 HydrophobicContact CB-CB 4.48Å; N175-K178 HydrophobicContact CB-CD 4.5Å; N175-K178 HydrophobicContact CB-CG 4.3Å; N175-K178 PolarHBondContact O-N 3.23Å; P176-K178 VanDerWaalsContact C-N 3.34Å; P176-K178 PolarHBondContact O-N 3.29Å
179	V	77.3	Confident	84.7	Confident	42 Å²	42	56.2 Å²	56.2	26%	0.255	30%	0.298	S	S	.	.	H	α-helix	trans	-72.5	-41.9	179.1	-178.7	0	0	0	0	111.1	H174 N175 P176 N181 L182 L183	H174-V179 HydrophobicContact CB-CG2 3.84Å; N175-V179 PolarHBondContact O-N 3.38Å; P176-V179 PolarHBondContact O-N 2.97Å; V179-N181 PolarHBondContact O-N 2.93Å; V179-L182 WeakPolarHBondContact O-CB 3.21Å; V179-L182 PolarHBondContact O-N 3.39Å; V179-L183 HydrophobicContact CG1-CD1 4.12Å; V179-L183 HydrophobicContact CG1-CG 4.29Å; V179-L183 WeakPolarHBondContact O-CG 3.2Å; V179-L183 PolarHBondContact O-N 3.17Å
180	K	81	Confident	84.5	Confident	66 Å²	66	56.2 Å²	56.2	29%	0.287	30%	0.298	S	S	.	.	H	α-helix	trans	-56.1	-38.2	178.8	-177.2	-172.8	175.3	-165.9	0	111.6	P176 L182 L183 E298	P176-K180 WeakPolarHBondContact O-CB 3.35Å; P176-K180 PolarHBondContact O-N 3.39Å; K180-L182 PolarHBondContact O-N 3.01Å; K180-L182 VanDerWaalsContact O-N 3.08Å; K180-L183 PolarHBondContact O-N 3.08Å; K180-L183 VanDerWaalsContact O-N 3.11Å; K180-E298 IonicContact NZ-OE1 2.74Å; K180-E298 PolarHBondContact NZ-OE1 3.27Å; K180-E298 IonicContact NZ-OE2 3.42Å; K180-E298 PolarHBondContact NZ-OE2 3.1Å
181	N	83.2	Confident	84.4	Confident	22 Å²	22	55.9 Å²	55.9	12%	0.118	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-19.5	176.7	-68.8	-24.9	0	0	0	113.7	S177 V179 K274 R290	S177-N181 VanDerWaalsContact O-CG 3.29Å; S177-N181 PolarHBondContact O-N 3.31Å; S177-N181 PolarHBondContact O-ND2 2.71Å; V179-N181 PolarHBondContact O-N 2.93Å; N181-K274 WeakPolarHBondContact O-CD 3.49Å; N181-K274 PolarHBondContact O-NZ 2.91Å; N181-R290 WeakPolarHBondContact ND2-CG 3.39Å
182	L	81.2	Confident	84.3	Confident	48 Å²	48	54.2 Å²	54.2	25%	0.251	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-8.8	-179.6	-52.7	176.7	0	0	0	113.3	V179 K180 T277 V278	V179-L182 WeakPolarHBondContact O-CB 3.21Å; V179-L182 PolarHBondContact O-N 3.39Å; K180-L182 PolarHBondContact O-N 3.01Å; K180-L182 VanDerWaalsContact O-N 3.08Å; L182-T277 HydrophobicContact CD2-CG2 4.08Å; L182-V278 HydrophobicContact CD2-CB 4.31Å; L182-V278 HydrophobicContact CD2-CG2 4.49Å
183	L	86.9	Confident	84.3	Confident	60 Å²	60	52.4 Å²	52.4	31%	0.314	27%	0.272	S	S	.	.	B	Isolated β-bridge	trans	-92.3	141.9	-179.5	-64	177.6	0	0	0	110.5	V179 K180 K274 R339	V179-L183 HydrophobicContact CG1-CD1 4.12Å; V179-L183 HydrophobicContact CG1-CG 4.29Å; V179-L183 WeakPolarHBondContact O-CG 3.2Å; V179-L183 PolarHBondContact O-N 3.17Å; K180-L183 PolarHBondContact O-N 3.08Å; K180-L183 VanDerWaalsContact O-N 3.11Å; L183-K274 WeakPolarHBondContact O-CE 3.5Å; L183-R339 HydrophobicContact CD2-CG 4.04Å
184	L	88.8	Confident	84.4	Confident	16 Å²	16	51.2 Å²	51.2	8%	0.084	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-73.7	141.7	173.1	-61.4	179.4	0	0	0	110.5	D270 K274 F333 Y338 A340	L184-D270 WeakPolarHBondContact CA-OD2 3.44Å; L184-K274 HydrophobicContact CD2-CB 3.83Å; L184-K274 HydrophobicContact CD2-CG 3.99Å; L184-F333 HydrophobicContact CD1-CB 3.69Å; L184-F333 HydrophobicContact CD1-CD1 3.89Å; L184-F333 HydrophobicContact CD1-CD2 3.48Å; L184-F333 VanDerWaalsContact CD1-CD2 3.48Å; L184-F333 HydrophobicContact CD1-CE1 4.45Å; L184-F333 HydrophobicContact CD1-CE2 4.08Å; L184-F333 HydrophobicContact CD1-CG 3.38Å; L184-Y338 WeakPolarHBondContact CB-O 3.48Å; L184-Y338 WeakPolarHBondContact CG-O 3.44Å; L184-Y338 PolarHBondContact N-O 3.07Å; L184-A340 HydrophobicContact CD2-CB 3.68Å; L184-A340 HydrophobicContact CG-CB 4.4Å
185	E	87.3	Confident	84.7	Confident	19 Å²	19	46.5 Å²	46.5	9%	0.089	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-84.1	142	174.8	-71.1	-168.9	-157.6	0	0	111.5	S187 L193 T194 Y195 D270 M301 N330	E185-S187 PolarHBondContact O-N 3.48Å; E185-L193 HydrophobicContact CB-CD2 3.75Å; E185-L193 HydrophobicContact CG-CD2 4.42Å; E185-L193 WeakPolarHBondContact OE2-CA 3.18Å; E185-T194 PolarHBondContact OE1-OG1 3.45Å; E185-T194 WeakPolarHBondContact OE2-CG2 3.24Å; E185-T194 PolarHBondContact OE2-N 3.29Å; E185-T194 PolarHBondContact OE2-OG1 3.19Å; E185-Y195 WeakPolarHBondContact OE1-CD1 3.36Å; E185-Y195 WeakPolarHBondContact OE1-CE1 3.47Å; E185-D270 PolarHBondContact N-OD2 3.08Å; E185-M301 HydrophobicContact CB-CE 4.38Å; E185-N330 PolarHBondContact O-ND2 3.18Å
186	N	80.3	Confident	85.1	Confident	90 Å²	90	45.6 Å²	45.6	48%	0.481	24%	0.239	S	C	.	.			trans	-85	51.7	176.2	-168.4	31.5	0	0	0	111.7
187	S	82.3	Confident	85.9	Confident	7 Å²	7	42.9 Å²	42.9	5%	0.049	22%	0.219	C	C	.	.			trans	-97.5	152	179.6	-66.6	0	0	0	0	109.8	E185 D192 R268	E185-S187 PolarHBondContact O-N 3.48Å; S187-D192 PolarHBondContact OG-O 2.92Å; S187-R268 PolarHBondContact O-NH1 3.1Å; S187-R268 PolarHBondContact O-NH2 3.43Å
188	K	77.9	Confident	86.4	Confident	167 Å²	167	43.7 Å²	43.7	73%	0.726	21%	0.214	S	C	*	.	S	Bend	trans	-90.7	-38.4	178.7	-72.3	-176.9	-179.6	178	0	112.5	R268	K188-R268 VanDerWaalsContact C-NH2 3.3Å; K188-R268 PolarHBondContact O-NH2 3.31Å
189	T	84.3	Confident	86.7	Confident	47 Å²	47	47.2 Å²	47.2	29%	0.288	24%	0.237	S	C	.	.	S	Bend	trans	-113.9	169.2	176.9	64.4	0	0	0	0	110.3	K191 D192 D246 R268	T189-K191 VanDerWaalsContact C-N 3.33Å; T189-D192 PolarHBondContact N-OD2 2.95Å; T189-D192 PolarHBondContact OG1-N 2.82Å; T189-D192 PolarHBondContact OG1-OD2 3.5Å; T189-D246 WeakPolarHBondContact CB-OD2 3.33Å; T189-R268 PolarHBondContact O-NH2 3.08Å
190	T	88.6	Confident	87.3	Confident	4 Å²	4	46.3 Å²	46.3	3%	0.025	23%	0.23	C	C	.	.	S	Bend	trans	-67	-36.7	172.6	-56.3	0	0	0	0	111	D192 L193 C196 I217 Y228 D246 L269	T190-D192 PolarHBondContact O-N 3.2Å; T190-L193 HydrophobicContact CG2-CD1 3.92Å; T190-L193 VanDerWaalsContact O-CB 3.26Å; T190-L193 WeakPolarHBondContact O-CB 3.38Å; T190-L193 WeakPolarHBondContact O-CD1 3.38Å; T190-L193 VanDerWaalsContact O-CG 3.25Å; T190-L193 WeakPolarHBondContact O-CG 3.33Å; T190-L193 PolarHBondContact O-N 2.89Å; T190-C196 VanDerWaalsContact O-CB 3.3Å; T190-C196 WeakPolarHBondContact O-CB 3.43Å; T190-I217 HydrophobicContact CG2-CD1 3.92Å; T190-I217 HydrophobicContact CG2-CG2 4.22Å; T190-Y228 HydrophobicContact CG2-CD1 3.66Å; T190-Y228 HydrophobicContact CG2-CD2 4.24Å; T190-Y228 HydrophobicContact CG2-CE1 4.11Å; T190-Y228 HydrophobicContact CG2-CG 3.74Å; T190-D246 WeakPolarHBondContact CA-OD1 3.43Å; T190-D246 WeakPolarHBondContact CB-OD1 3.43Å; T190-D246 PolarHBondContact N-OD1 2.9Å; T190-D246 PolarHBondContact OG1-OD1 2.8Å; T190-L269 HydrophobicContact CG2-CD2 3.93Å
191	K	89.6	Confident	87.9	Confident	67 Å²	67	45.5 Å²	45.5	29%	0.291	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-31.2	176.9	-176.8	173.7	178.3	103.6	0	113.5	T189 L193 E198 E219 Y228 K297	T189-K191 VanDerWaalsContact C-N 3.33Å; K191-L193 VanDerWaalsContact C-N 3.27Å; K191-L193 PolarHBondContact O-N 3.14Å; K191-E198 WeakPolarHBondContact CE-OE1 3.5Å; K191-E198 IonicContact NZ-OE1 3.36Å; K191-E198 PolarHBondContact NZ-OE1 3.29Å; K191-E198 IonicContact NZ-OE2 2.78Å; K191-E198 PolarHBondContact NZ-OE2 2.64Å; K191-E219 IonicContact NZ-OE1 2.89Å; K191-E219 IonicContact NZ-OE2 2.94Å; K191-E219 PolarHBondContact NZ-OE2 3.2Å; K191-Y228 HydrophobicContact CB-CE1 4.47Å; K191-K297 PolarHBondContact O-NZ 3.05Å
192	D	89.3	Confident	88.3	Confident	80 Å²	80	49.7 Å²	49.7	43%	0.428	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-6.3	178	-66.9	-39.7	0	0	0	113.8	S187 T189 T190	S187-D192 PolarHBondContact OG-O 2.92Å; T189-D192 PolarHBondContact N-OD2 2.95Å; T189-D192 PolarHBondContact OG1-N 2.82Å; T189-D192 PolarHBondContact OG1-OD2 3.5Å; T190-D192 PolarHBondContact O-N 3.2Å
193	L	91.9	Very high	88.9	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.274	C	S	.	.	S	Bend	trans	-69.7	140.4	177.2	-62.5	169.2	0	0	0	110.3	E185 T190 K191 Y195 C196 I217 D270	E185-L193 HydrophobicContact CB-CD2 3.75Å; E185-L193 HydrophobicContact CG-CD2 4.42Å; E185-L193 WeakPolarHBondContact OE2-CA 3.18Å; T190-L193 HydrophobicContact CG2-CD1 3.92Å; T190-L193 VanDerWaalsContact O-CB 3.26Å; T190-L193 WeakPolarHBondContact O-CB 3.38Å; T190-L193 WeakPolarHBondContact O-CD1 3.38Å; T190-L193 VanDerWaalsContact O-CG 3.25Å; T190-L193 WeakPolarHBondContact O-CG 3.33Å; T190-L193 PolarHBondContact O-N 2.89Å; K191-L193 VanDerWaalsContact C-N 3.27Å; K191-L193 PolarHBondContact O-N 3.14Å; L193-Y195 HydrophobicContact CB-CD1 4.25Å; L193-Y195 HydrophobicContact CB-CE1 4.05Å; L193-Y195 HydrophobicContact CD1-CE1 4.36Å; L193-Y195 HydrophobicContact CD1-CE2 4.39Å; L193-Y195 HydrophobicContact CD2-CE1 4.26Å; L193-Y195 HydrophobicContact CG-CE1 4.46Å; L193-Y195 PolarHBondContact O-N 3.37Å; L193-C196 HydrophobicContact CB-CB 4.09Å; L193-C196 PolarHBondContact O-N 3.26Å; L193-C196 VanDerWaalsContact O-N 3.09Å; L193-I217 HydrophobicContact CD1-CD1 3.75Å; L193-D270 HydrophobicContact CD1-CB 3.99Å; L193-D270 HydrophobicContact CD2-CB 3.79Å
194	T	92.5	Very high	89.2	Confident	4 Å²	4	53.2 Å²	53.2	3%	0.025	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-18.5	-178.4	67.4	0	0	0	0	112.9	E185 T293 D294 M301	E185-T194 PolarHBondContact OE1-OG1 3.45Å; E185-T194 WeakPolarHBondContact OE2-CG2 3.24Å; E185-T194 PolarHBondContact OE2-N 3.29Å; E185-T194 PolarHBondContact OE2-OG1 3.19Å; T194-T293 CarbonylContact O-C 3.57Å; T194-T293 WeakPolarHBondContact O-CA 3.28Å; T194-T293 WeakPolarHBondContact OG1-CG2 3.42Å; T194-D294 WeakPolarHBondContact O-CB 3.38Å; T194-D294 PolarHBondContact O-N 3.37Å; T194-M301 HydrophobicContact CG2-CB 4.31Å; T194-M301 HydrophobicContact CG2-CE 4.17Å; T194-M301 HydrophobicContact CG2-SD 3.8Å
195	Y	94.8	Very high	89.5	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	16.8	176.1	60.2	-83.8	0	0	0	113.1	E185 L193 Y215 I217 D270 L273 A291 V292	E185-Y195 WeakPolarHBondContact OE1-CD1 3.36Å; E185-Y195 WeakPolarHBondContact OE1-CE1 3.47Å; L193-Y195 HydrophobicContact CB-CD1 4.25Å; L193-Y195 HydrophobicContact CB-CE1 4.05Å; L193-Y195 HydrophobicContact CD1-CE1 4.36Å; L193-Y195 HydrophobicContact CD1-CE2 4.39Å; L193-Y195 HydrophobicContact CD2-CE1 4.26Å; L193-Y195 HydrophobicContact CG-CE1 4.46Å; L193-Y195 PolarHBondContact O-N 3.37Å; Y195-Y215 HydrophobicContact CD2-CD2 4.42Å; Y195-Y215 HydrophobicContact CD2-CE2 4.04Å; Y195-Y215 HydrophobicContact CE2-CD2 4.46Å; Y195-Y215 AromaticContact CE2-CE2 3.81Å; Y195-Y215 HydrophobicContact CE2-CE2 3.81Å; Y195-I217 HydrophobicContact CD2-CD1 3.89Å; Y195-I217 HydrophobicContact CD2-CG1 4Å; Y195-I217 HydrophobicContact CE2-CD1 3.36Å; Y195-I217 HydrophobicContact CE2-CG1 3.85Å; Y195-I217 PolarHBondContact O-N 3.25Å; Y195-D270 WeakPolarHBondContact OH-CA 3.34Å; Y195-D270 WeakPolarHBondContact OH-CB 3.28Å; Y195-D270 PolarHBondContact OH-OD1 2.87Å; Y195-L273 HydrophobicContact CE2-CD1 3.92Å; Y195-A291 HydrophobicContact CD1-CB 3.9Å; Y195-A291 HydrophobicContact CD2-CB 4.25Å; Y195-A291 HydrophobicContact CE1-CB 4.45Å; Y195-A291 HydrophobicContact CG-CB 3.79Å; Y195-V292 WeakPolarHBondContact CA-O 3.46Å; Y195-V292 WeakPolarHBondContact CB-O 3.32Å
196	C	94.4	Very high	89.7	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	120.1	169.7	-174.9	0	0	0	0	110.1	T190 L193 I217 K297	T190-C196 VanDerWaalsContact O-CB 3.3Å; T190-C196 WeakPolarHBondContact O-CB 3.43Å; L193-C196 HydrophobicContact CB-CB 4.09Å; L193-C196 PolarHBondContact O-N 3.26Å; L193-C196 VanDerWaalsContact O-N 3.09Å; C196-I217 CarbonylContact C-O 3.6Å; C196-I217 WeakPolarHBondContact CA-O 3.4Å; C196-I217 HydrophobicContact CB-CB 4.1Å; C196-I217 HydrophobicContact CB-CG2 4.32Å; C196-K297 PolarHBondContact O-NZ 3.22Å
197	Y	94.5	Very high	90.4	Very high	23 Å²	23	56.8 Å²	56.8	9%	0.09	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	142	-179.9	-66.9	-100.1	0	0	0	111.3	L200 L208 L216 I217 E219 V292 T293 D294	Y197-L200 HydrophobicContact CD1-CD1 4.29Å; Y197-L200 HydrophobicContact CD1-CD2 4.33Å; Y197-L200 HydrophobicContact CD2-CD2 4.27Å; Y197-L200 HydrophobicContact CG-CD2 3.9Å; Y197-L208 HydrophobicContact CD1-CD1 4.44Å; Y197-L208 HydrophobicContact CE1-CD1 3.93Å; Y197-L216 HydrophobicContact CD2-CB 4.06Å; Y197-L216 HydrophobicContact CD2-CD1 4.24Å; Y197-L216 HydrophobicContact CD2-CD2 4.09Å; Y197-L216 HydrophobicContact CD2-CG 4.36Å; Y197-L216 HydrophobicContact CE2-CB 3.96Å; Y197-L216 HydrophobicContact CE2-CD2 3.95Å; Y197-L216 HydrophobicContact CE2-CG 4.46Å; Y197-I217 PolarHBondContact N-O 3.47Å; Y197-E219 PolarHBondContact O-N 3.18Å; Y197-V292 WeakPolarHBondContact CE2-O 3.43Å; Y197-T293 PolarHBondContact OH-O 3Å; Y197-T293 VanDerWaalsContact OH-O 3.14Å; Y197-D294 HydrophobicContact CD1-CB 4.22Å; Y197-D294 HydrophobicContact CE1-CB 3.63Å; Y197-D294 HydrophobicContact CE2-CB 4.49Å; Y197-D294 WeakPolarHBondContact OH-CA 3.4Å; Y197-D294 PolarHBondContact OH-N 3.49Å; Y197-D294 VanDerWaalsContact OH-N 3.09Å
198	E	90.2	Very high	91	Very high	92 Å²	92	59.4 Å²	59.4	43%	0.43	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	135.4	175.1	-59	-173.9	-156.5	0	0	109.9	K191 L200	K191-E198 WeakPolarHBondContact CE-OE1 3.5Å; K191-E198 IonicContact NZ-OE1 3.36Å; K191-E198 PolarHBondContact NZ-OE1 3.29Å; K191-E198 IonicContact NZ-OE2 2.78Å; K191-E198 PolarHBondContact NZ-OE2 2.64Å; E198-L200 PolarHBondContact O-N 3.39Å; E198-L200 VanDerWaalsContact O-N 3.12Å
199	N	83.8	Confident	91.9	Very high	138 Å²	138	51.5 Å²	51.5	74%	0.738	27%	0.274	S	S	*	.	S	Bend	trans	52.8	35.1	172.4	-57.2	-46.7	0	0	0	114.9	S201	N199-S201 PolarHBondContact O-N 3.06Å
200	L	91.5	Very high	92.3	Very high	23 Å²	23	53.5 Å²	53.5	12%	0.12	29%	0.286	C	S	.	.			trans	-77	122.1	-177.2	-164.6	67.9	0	0	0	111.1	Y197 E198 D204 V205 L208 L216 R218	Y197-L200 HydrophobicContact CD1-CD1 4.29Å; Y197-L200 HydrophobicContact CD1-CD2 4.33Å; Y197-L200 HydrophobicContact CD2-CD2 4.27Å; Y197-L200 HydrophobicContact CG-CD2 3.9Å; E198-L200 PolarHBondContact O-N 3.39Å; E198-L200 VanDerWaalsContact O-N 3.12Å; L200-D204 HydrophobicContact CD1-CB 3.59Å; L200-D204 HydrophobicContact CG-CB 4.08Å; L200-V205 HydrophobicContact CB-CG2 4.43Å; L200-V205 HydrophobicContact CD2-CB 4.41Å; L200-V205 HydrophobicContact CD2-CG2 3.5Å; L200-V205 VanDerWaalsContact CD2-CG2 3.5Å; L200-V205 HydrophobicContact CG-CG2 3.85Å; L200-L208 HydrophobicContact CD1-CD1 4.12Å; L200-L208 HydrophobicContact CD2-CD1 3.9Å; L200-L216 HydrophobicContact CD2-CD1 3.92Å; L200-L216 HydrophobicContact CD2-CD2 3.85Å; L200-R218 HydrophobicContact CB-CG 4.22Å; L200-R218 WeakPolarHBondContact O-CD 3.4Å; L200-R218 PolarHBondContact O-NH1 3.16Å
201	S	91.7	Very high	92.4	Very high	49 Å²	49	56.4 Å²	56.4	34%	0.343	30%	0.302	S	S	.	.			trans	-69.1	157.4	177.2	78	0	0	0	0	111.7	N199 D203 D204 V205	N199-S201 PolarHBondContact O-N 3.06Å; S201-D203 PolarHBondContact O-N 2.5Å; S201-D204 PolarHBondContact O-N 2.69Å; S201-D204 VanDerWaalsContact O-N 3.13Å; S201-D204 PolarHBondContact OG-N 2.77Å; S201-D204 PolarHBondContact OG-OD2 3.13Å; S201-V205 WeakPolarHBondContact O-CG2 3.26Å; S201-V205 PolarHBondContact O-N 3.37Å
202	D	92	Very high	92.5	Very high	110 Å²	110	55.1 Å²	55.1	59%	0.588	30%	0.298	S	S	*	.	H	α-helix	trans	-59.2	-37.3	177.2	-68.5	-25.7	0	0	0	111.9	D204 V205 A206 R218	D202-D204 VanDerWaalsContact C-N 3.32Å; D202-D204 PolarHBondContact O-N 2.93Å; D202-V205 PolarHBondContact O-N 3.28Å; D202-A206 PolarHBondContact O-N 2.83Å; D202-R218 IonicContact OD1-CZ 2.76Å; D202-R218 IonicContact OD1-NH1 2.93Å; D202-R218 PolarHBondContact OD1-NH1 2.82Å; D202-R218 IonicContact OD1-NH2 3.66Å; D202-R218 PolarHBondContact OD1-NH2 3.32Å; D202-R218 VanDerWaalsContact OD1-NH2 3.1Å
203	D	93.5	Very high	92.8	Very high	120 Å²	120	51.3 Å²	51.3	64%	0.642	28%	0.277	S	S	*	.	H	α-helix	trans	-64.4	-36.7	176.5	-72.2	-22.4	0	0	0	112.1	S201 A206 K207	S201-D203 PolarHBondContact O-N 2.5Å; D203-A206 PolarHBondContact O-N 3.38Å; D203-K207 WeakPolarHBondContact O-CE 2.97Å; D203-K207 VanDerWaalsContact O-CG 3.28Å; D203-K207 WeakPolarHBondContact O-CG 2.93Å; D203-K207 PolarHBondContact O-N 2.81Å; D203-K207 VanDerWaalsContact O-N 3.15Å
204	D	94.1	Very high	92.9	Very high	62 Å²	62	51.4 Å²	51.4	33%	0.332	28%	0.278	S	S	.	.	H	α-helix	trans	-76.5	-34.8	179.2	-61.2	-39.1	0	0	0	111.6	L200 S201 D202 A206 K207 L208	L200-D204 HydrophobicContact CD1-CB 3.59Å; L200-D204 HydrophobicContact CG-CB 4.08Å; S201-D204 PolarHBondContact O-N 2.69Å; S201-D204 VanDerWaalsContact O-N 3.13Å; S201-D204 PolarHBondContact OG-N 2.77Å; S201-D204 PolarHBondContact OG-OD2 3.13Å; D202-D204 VanDerWaalsContact C-N 3.32Å; D202-D204 PolarHBondContact O-N 2.93Å; D204-A206 VanDerWaalsContact C-N 3.32Å; D204-A206 PolarHBondContact O-N 2.93Å; D204-K207 PolarHBondContact O-N 3.21Å; D204-K207 IonicContact OD1-NZ 3.66Å; D204-K207 PolarHBondContact OD1-NZ 3.31Å; D204-L208 WeakPolarHBondContact O-CB 3.46Å; D204-L208 VanDerWaalsContact O-CG 3.31Å; D204-L208 WeakPolarHBondContact O-CG 3.45Å; D204-L208 PolarHBondContact O-N 2.88Å
205	V	94.4	Very high	93.1	Very high	3 Å²	3	51.2 Å²	51.2	2%	0.018	28%	0.277	C	S	.	.	H	α-helix	trans	-57.6	-47.8	168.9	178.7	0	0	0	0	110.1	L200 S201 D202 K207 L208 L209 L216 C231 V238	L200-V205 HydrophobicContact CB-CG2 4.43Å; L200-V205 HydrophobicContact CD2-CB 4.41Å; L200-V205 HydrophobicContact CD2-CG2 3.5Å; L200-V205 VanDerWaalsContact CD2-CG2 3.5Å; L200-V205 HydrophobicContact CG-CG2 3.85Å; S201-V205 WeakPolarHBondContact O-CG2 3.26Å; S201-V205 PolarHBondContact O-N 3.37Å; D202-V205 PolarHBondContact O-N 3.28Å; V205-K207 VanDerWaalsContact C-N 3.26Å; V205-K207 PolarHBondContact O-N 3.39Å; V205-L208 PolarHBondContact O-N 2.78Å; V205-L209 HydrophobicContact CG1-CD1 3.67Å; V205-L209 HydrophobicContact CG1-CG 4.16Å; V205-L209 WeakPolarHBondContact O-CG 2.87Å; V205-L209 PolarHBondContact O-N 2.71Å; V205-L216 HydrophobicContact CG2-CD1 4.43Å; V205-C231 HydrophobicContact CG1-CB 3.77Å; V205-V238 HydrophobicContact CG1-CG1 3.69Å; V205-V238 HydrophobicContact CG1-CG2 4.42Å
206	A	93.1	Very high	93.2	Very high	56 Å²	56	51.2 Å²	51.2	46%	0.463	28%	0.277	S	S	.	.	H	α-helix	trans	-64.1	-27.6	-179.7	0	0	0	0	0	113.7	D202 D203 D204 V238	D202-A206 PolarHBondContact O-N 2.83Å; D203-A206 PolarHBondContact O-N 3.38Å; D204-A206 VanDerWaalsContact C-N 3.32Å; D204-A206 PolarHBondContact O-N 2.93Å; A206-V238 HydrophobicContact CB-CG2 4.32Å
207	K	94.3	Very high	93.3	Very high	141 Å²	141	51.2 Å²	51.2	61%	0.613	28%	0.277	S	S	*	.	H	α-helix	trans	-77.6	-34	173.9	-69.6	167.5	-153	156.4	0	112.9	D203 D204 V205	D203-K207 WeakPolarHBondContact O-CE 2.97Å; D203-K207 VanDerWaalsContact O-CG 3.28Å; D203-K207 WeakPolarHBondContact O-CG 2.93Å; D203-K207 PolarHBondContact O-N 2.81Å; D203-K207 VanDerWaalsContact O-N 3.15Å; D204-K207 PolarHBondContact O-N 3.21Å; D204-K207 IonicContact OD1-NZ 3.66Å; D204-K207 PolarHBondContact OD1-NZ 3.31Å; V205-K207 VanDerWaalsContact C-N 3.26Å; V205-K207 PolarHBondContact O-N 3.39Å
208	L	95.6	Very high	93.3	Very high	61 Å²	61	51.8 Å²	51.8	32%	0.319	28%	0.279	S	S	.	.	H	α-helix	trans	-81	-37.9	-175.3	-74.1	172.1	0	0	0	112.7	Y197 L200 D204 V205 L216 V292	Y197-L208 HydrophobicContact CD1-CD1 4.44Å; Y197-L208 HydrophobicContact CE1-CD1 3.93Å; L200-L208 HydrophobicContact CD1-CD1 4.12Å; L200-L208 HydrophobicContact CD2-CD1 3.9Å; D204-L208 WeakPolarHBondContact O-CB 3.46Å; D204-L208 VanDerWaalsContact O-CG 3.31Å; D204-L208 WeakPolarHBondContact O-CG 3.45Å; D204-L208 PolarHBondContact O-N 2.88Å; V205-L208 PolarHBondContact O-N 2.78Å; L208-L216 HydrophobicContact CB-CD2 4.11Å; L208-L216 HydrophobicContact CD1-CD2 4.08Å; L208-V292 HydrophobicContact CB-CG1 4.28Å
209	L	96	Very high	93.4	Very high	1 Å²	1	48 Å²	48	1%	0.005	26%	0.262	C	S	.	.			trans	-91.5	108.8	-179.5	-51.7	-178.6	0	0	0	109.7	V205 D214 L216 C231 F233 V238 V292	V205-L209 HydrophobicContact CG1-CD1 3.67Å; V205-L209 HydrophobicContact CG1-CG 4.16Å; V205-L209 WeakPolarHBondContact O-CG 2.87Å; V205-L209 PolarHBondContact O-N 2.71Å; L209-D214 HydrophobicContact CB-CB 4.28Å; L209-D214 HydrophobicContact CD2-CB 4.09Å; L209-L216 HydrophobicContact CD1-CG 4.33Å; L209-L216 HydrophobicContact CD2-CB 4.26Å; L209-L216 HydrophobicContact CD2-CD2 3.71Å; L209-L216 HydrophobicContact CD2-CG 3.86Å; L209-L216 HydrophobicContact CG-CD2 4.02Å; L209-L216 HydrophobicContact CG-CG 4.3Å; L209-C231 HydrophobicContact CD1-CB 4.02Å; L209-F233 HydrophobicContact CB-CB 3.51Å; L209-F233 HydrophobicContact CB-CD2 4.48Å; L209-F233 HydrophobicContact CB-CG 4.36Å; L209-F233 HydrophobicContact CD1-CB 4.43Å; L209-F233 VanDerWaalsContact O-CD2 3.23Å; L209-F233 WeakPolarHBondContact O-CD2 3.34Å; L209-V238 HydrophobicContact CD1-CG1 4.26Å; L209-V238 HydrophobicContact CD1-CG2 4.49Å; L209-V292 HydrophobicContact CD2-CB 4.05Å; L209-V292 HydrophobicContact CD2-CG2 3.67Å
210	V	91.6	Very high	93.7	Very high	89 Å²	89	43.2 Å²	43.2	54%	0.539	24%	0.237	S	C	.	.			trans	-112.9	-33.9	-168.2	179.6	0	0	0	0	112.7	D214 F233	V210-D214 PolarHBondContact N-OD2 3.25Å; V210-F233 WeakPolarHBondContact O-CE1 3.3Å
211	N	91.4	Very high	93.5	Very high	65 Å²	65	46.8 Å²	46.8	35%	0.348	26%	0.261	S	S	.	.	S	Bend	trans	-114.8	153	-174.5	-51.9	-87.7	0	0	0	110.9	G213 D214 F233 R290	N211-G213 PolarHBondContact O-N 2.83Å; N211-D214 WeakPolarHBondContact CB-OD2 3.25Å; N211-D214 PolarHBondContact N-OD2 3.47Å; N211-D214 PolarHBondContact ND2-OD2 2.66Å; N211-D214 VanDerWaalsContact ND2-OD2 3.08Å; N211-D214 WeakPolarHBondContact O-CB 3.07Å; N211-D214 PolarHBondContact O-N 3Å; N211-F233 VanDerWaalsContact C-CD1 3.49Å; N211-F233 WeakPolarHBondContact O-CD1 3.49Å; N211-R290 PolarHBondContact ND2-NH2 3.1Å
212	D	92.9	Very high	93.2	Very high	40 Å²	40	47.7 Å²	47.7	21%	0.214	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	123.8	174.3	-80.6	-1.6	0	0	0	111.2	D214 F233 W234 D235 S566	D212-D214 VanDerWaalsContact C-N 3.35Å; D212-F233 WeakPolarHBondContact CA-O 3.48Å; D212-W234 HydrophobicContact CB-CE3 4.21Å; D212-W234 HydrophobicContact CB-CZ3 4.3Å; D212-W234 WeakPolarHBondContact OD1-CA 3.37Å; D212-D235 PolarHBondContact OD1-N 2.69Å; D212-S566 WeakPolarHBondContact OD2-CB 3.44Å; D212-S566 PolarHBondContact OD2-OG 2.95Å
213	G	93.9	Very high	92.7	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.6	5.6	-177.8	0	0	0	0	0	115	N211 F233 Q287 K289 R290	N211-G213 PolarHBondContact O-N 2.83Å; G213-F233 PolarHBondContact N-O 2.75Å; G213-Q287 WeakPolarHBondContact CA-O 3.18Å; G213-K289 PolarHBondContact O-N 2.72Å; G213-R290 PolarHBondContact O-N 3.13Å
214	D	95.5	Very high	91.9	Very high	3 Å²	3	54.4 Å²	54.4	2%	0.016	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	130.9	160.4	-75.5	-17.9	0	0	0	108.9	L209 V210 N211 D212 V232 F233 R290 V292	L209-D214 HydrophobicContact CB-CB 4.28Å; L209-D214 HydrophobicContact CD2-CB 4.09Å; V210-D214 PolarHBondContact N-OD2 3.25Å; N211-D214 WeakPolarHBondContact CB-OD2 3.25Å; N211-D214 PolarHBondContact N-OD2 3.47Å; N211-D214 PolarHBondContact ND2-OD2 2.66Å; N211-D214 VanDerWaalsContact ND2-OD2 3.08Å; N211-D214 WeakPolarHBondContact O-CB 3.07Å; N211-D214 PolarHBondContact O-N 3Å; D212-D214 VanDerWaalsContact C-N 3.35Å; D214-V232 CarbonylContact O-C 3.54Å; D214-V232 WeakPolarHBondContact O-CA 3.19Å; D214-F233 PolarHBondContact O-N 3.26Å; D214-R290 CarbonylContact C-O 3.53Å; D214-R290 WeakPolarHBondContact CA-O 3.4Å; D214-R290 IonicContact OD1-CZ 3.76Å; D214-R290 IonicContact OD1-NE 3.6Å; D214-R290 PolarHBondContact OD1-NE 3.02Å; D214-R290 IonicContact OD1-NH2 2.72Å; D214-R290 PolarHBondContact OD1-NH2 3.42Å; D214-R290 IonicContact OD2-CZ 2.86Å; D214-R290 IonicContact OD2-NE 3.46Å; D214-R290 IonicContact OD2-NH2 3.38Å; D214-R290 PolarHBondContact OD2-NH2 2.78Å; D214-V292 HydrophobicContact CB-CG2 3.85Å
215	Y	96.6	Very high	91.4	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	153.7	-179.2	71.5	-90.6	0	0	0	112.9	Y195 C231 L273 K274 F288 R290 A291 V292	Y195-Y215 HydrophobicContact CD2-CD2 4.42Å; Y195-Y215 HydrophobicContact CD2-CE2 4.04Å; Y195-Y215 HydrophobicContact CE2-CD2 4.46Å; Y195-Y215 AromaticContact CE2-CE2 3.81Å; Y195-Y215 HydrophobicContact CE2-CE2 3.81Å; Y215-C231 CarbonylContact C-O 3.29Å; Y215-C231 WeakPolarHBondContact CA-O 3.47Å; Y215-C231 WeakPolarHBondContact CB-O 3.5Å; Y215-L273 HydrophobicContact CD2-CD1 4.37Å; Y215-L273 HydrophobicContact CE2-CB 4.17Å; Y215-L273 HydrophobicContact CE2-CD1 4.06Å; Y215-K274 PolarHBondContact OH-NZ 2.95Å; Y215-F288 HydrophobicContact CD1-CB 3.86Å; Y215-F288 AromaticContact CD1-CD1 3.87Å; Y215-F288 HydrophobicContact CD1-CD1 3.87Å; Y215-F288 HydrophobicContact CD1-CG 4.36Å; Y215-F288 HydrophobicContact CD2-CD1 4.29Å; Y215-F288 HydrophobicContact CE1-CB 3.94Å; Y215-F288 AromaticContact CG-CD1 3.73Å; Y215-F288 HydrophobicContact CG-CD1 3.73Å; Y215-R290 VanDerWaalsContact CD1-C 3.44Å; Y215-R290 WeakPolarHBondContact CD1-O 3.24Å; Y215-R290 PolarHBondContact N-O 2.83Å; Y215-A291 HydrophobicContact CE1-CB 4.24Å; Y215-A291 HydrophobicContact CE2-CB 3.89Å; Y215-A291 CarbonylContact O-C 3.52Å; Y215-A291 WeakPolarHBondContact O-CA 3.44Å; Y215-V292 PolarHBondContact O-N 2.93Å
216	L	96.8	Very high	90.9	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	166.2	172.3	63.4	79.4	0	0	0	110.6	Y197 L200 V205 L208 L209 R218 C231	Y197-L216 HydrophobicContact CD2-CB 4.06Å; Y197-L216 HydrophobicContact CD2-CD1 4.24Å; Y197-L216 HydrophobicContact CD2-CD2 4.09Å; Y197-L216 HydrophobicContact CD2-CG 4.36Å; Y197-L216 HydrophobicContact CE2-CB 3.96Å; Y197-L216 HydrophobicContact CE2-CD2 3.95Å; Y197-L216 HydrophobicContact CE2-CG 4.46Å; L200-L216 HydrophobicContact CD2-CD1 3.92Å; L200-L216 HydrophobicContact CD2-CD2 3.85Å; V205-L216 HydrophobicContact CG2-CD1 4.43Å; L208-L216 HydrophobicContact CB-CD2 4.11Å; L208-L216 HydrophobicContact CD1-CD2 4.08Å; L209-L216 HydrophobicContact CD1-CG 4.33Å; L209-L216 HydrophobicContact CD2-CB 4.26Å; L209-L216 HydrophobicContact CD2-CD2 3.71Å; L209-L216 HydrophobicContact CD2-CG 3.86Å; L209-L216 HydrophobicContact CG-CD2 4.02Å; L209-L216 HydrophobicContact CG-CG 4.3Å; L216-R218 HydrophobicContact CD1-CB 4.42Å; L216-C231 HydrophobicContact CD1-CB 4.11Å; L216-C231 HydrophobicContact CG-CB 4.47Å; L216-C231 PolarHBondContact N-O 3.4Å; L216-C231 PolarHBondContact O-N 3.29Å
217	I	95.9	Very high	90.7	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	134.4	171.7	-61.2	165.3	0	0	0	108.4	T190 L193 Y195 C196 Y197 Y228 Q229 V230 L269 L273	T190-I217 HydrophobicContact CG2-CD1 3.92Å; T190-I217 HydrophobicContact CG2-CG2 4.22Å; L193-I217 HydrophobicContact CD1-CD1 3.75Å; Y195-I217 HydrophobicContact CD2-CD1 3.89Å; Y195-I217 HydrophobicContact CD2-CG1 4Å; Y195-I217 HydrophobicContact CE2-CD1 3.36Å; Y195-I217 HydrophobicContact CE2-CG1 3.85Å; Y195-I217 PolarHBondContact O-N 3.25Å; C196-I217 CarbonylContact C-O 3.6Å; C196-I217 WeakPolarHBondContact CA-O 3.4Å; C196-I217 HydrophobicContact CB-CB 4.1Å; C196-I217 HydrophobicContact CB-CG2 4.32Å; Y197-I217 PolarHBondContact N-O 3.47Å; I217-Y228 HydrophobicContact CG2-CD1 3.83Å; I217-Y228 HydrophobicContact CG2-CG 4.24Å; I217-Q229 CarbonylContact C-O 3.52Å; I217-Q229 WeakPolarHBondContact CA-O 3.36Å; I217-V230 HydrophobicContact CG1-CG2 4.33Å; I217-L269 HydrophobicContact CD1-CD2 3.7Å; I217-L269 HydrophobicContact CD1-CG 4.27Å; I217-L269 HydrophobicContact CG1-CD2 4.21Å; I217-L273 HydrophobicContact CD1-CD1 3.92Å; I217-L273 HydrophobicContact CG1-CD1 4.07Å
218	R	93.8	Very high	90.6	Very high	34 Å²	34	48.6 Å²	48.6	13%	0.128	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	127.8	170.1	175.6	173.1	64.7	-174	-0	110.1	L200 D202 L216 V220 Q229	L200-R218 HydrophobicContact CB-CG 4.22Å; L200-R218 WeakPolarHBondContact O-CD 3.4Å; L200-R218 PolarHBondContact O-NH1 3.16Å; D202-R218 IonicContact OD1-CZ 2.76Å; D202-R218 IonicContact OD1-NH1 2.93Å; D202-R218 PolarHBondContact OD1-NH1 2.82Å; D202-R218 IonicContact OD1-NH2 3.66Å; D202-R218 PolarHBondContact OD1-NH2 3.32Å; D202-R218 VanDerWaalsContact OD1-NH2 3.1Å; L216-R218 HydrophobicContact CD1-CB 4.42Å; R218-V220 HydrophobicContact CG-CG2 3.94Å; R218-Q229 PolarHBondContact N-O 2.94Å; R218-Q229 PolarHBondContact O-N 3.46Å
219	E	93	Very high	90.5	Very high	14 Å²	14	47.6 Å²	47.6	7%	0.065	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	126.4	168.1	-172.7	165.5	-138.9	0	0	109.9	K191 Y197 N226 Y228	K191-E219 IonicContact NZ-OE1 2.89Å; K191-E219 IonicContact NZ-OE2 2.94Å; K191-E219 PolarHBondContact NZ-OE2 3.2Å; Y197-E219 PolarHBondContact O-N 3.18Å; E219-N226 HydrophobicContact CG-CB 3.89Å; E219-N226 WeakPolarHBondContact OE1-CB 3.17Å; E219-N226 PolarHBondContact OE1-ND2 3.38Å; E219-Y228 HydrophobicContact CB-CD1 4.33Å; E219-Y228 HydrophobicContact CB-CE1 4.05Å; E219-Y228 HydrophobicContact CG-CE1 3.95Å; E219-Y228 PolarHBondContact OE1-OH 2.8Å
220	V	90.3	Very high	90.5	Very high	37 Å²	37	47.6 Å²	47.6	22%	0.224	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	130	-179.9	-178	0	0	0	0	109.5	R218 A227 Q229	R218-V220 HydrophobicContact CG-CG2 3.94Å; V220-A227 PolarHBondContact N-O 3.35Å; V220-A227 PolarHBondContact O-N 2.86Å; V220-Q229 HydrophobicContact CG2-CB 4.47Å; V220-Q229 HydrophobicContact CG2-CG 3.88Å
221	P	87.7	Confident	90.7	Very high	97 Å²	97	43.5 Å²	43.5	63%	0.63	24%	0.241	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-68.1	137.7	176	28.4	-34	0	0	0	111
222	T	84.6	Confident	91	Very high	68 Å²	68	40.4 Å²	40.4	42%	0.417	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	168.8	175.3	64	0	0	0	0	110	D224 G225 A227	T222-D224 PolarHBondContact O-N 2.96Å; T222-G225 CarbonylContact C-O 3.56Å; T222-G225 WeakPolarHBondContact CA-O 3.36Å; T222-G225 PolarHBondContact N-O 3.3Å; T222-G225 PolarHBondContact O-N 2.78Å; T222-G225 PolarHBondContact OG1-O 3.47Å; T222-A227 HydrophobicContact CG2-CB 3.51Å
223	E	81.1	Confident	91.2	Very high	201 Å²	201	40.2 Å²	40.2	94%	0.939	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-34.6	179.4	-62.9	-176.7	175.7	0	0	112.6
224	D	78.3	Confident	91.2	Very high	170 Å²	170	40.3 Å²	40.3	91%	0.909	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96	7.1	-176.1	-66	-44.5	0	0	0	114.2	T222	T222-D224 PolarHBondContact O-N 2.96Å
225	G	82.2	Confident	91	Very high	36 Å²	36	42.2 Å²	42.2	37%	0.371	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	131.4	-140.8	-176.4	0	0	0	0	0	112.4	T222	T222-G225 CarbonylContact C-O 3.56Å; T222-G225 WeakPolarHBondContact CA-O 3.36Å; T222-G225 PolarHBondContact N-O 3.3Å; T222-G225 PolarHBondContact O-N 2.78Å; T222-G225 PolarHBondContact OG1-O 3.47Å
226	N	85.4	Confident	90.8	Very high	80 Å²	80	50.5 Å²	50.5	43%	0.428	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	135.2	179.2	-65	-21.2	0	0	0	111	E219	E219-N226 HydrophobicContact CG-CB 3.89Å; E219-N226 WeakPolarHBondContact OE1-CB 3.17Å; E219-N226 PolarHBondContact OE1-ND2 3.38Å
227	A	88.9	Confident	90.6	Very high	13 Å²	13	54 Å²	54	11%	0.107	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	152.1	167.5	0	0	0	0	0	110.3	V220 T222 T243	V220-A227 PolarHBondContact N-O 3.35Å; V220-A227 PolarHBondContact O-N 2.86Å; T222-A227 HydrophobicContact CG2-CB 3.51Å; A227-T243 HydrophobicContact CB-CG2 3.89Å
228	Y	92.2	Very high	90.5	Very high	11 Å²	11	56.7 Å²	56.7	4%	0.043	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	112	178.3	-62.5	-79.6	0	0	0	108.6	T190 K191 I217 E219 T243 T244 D246	T190-Y228 HydrophobicContact CG2-CD1 3.66Å; T190-Y228 HydrophobicContact CG2-CD2 4.24Å; T190-Y228 HydrophobicContact CG2-CE1 4.11Å; T190-Y228 HydrophobicContact CG2-CG 3.74Å; K191-Y228 HydrophobicContact CB-CE1 4.47Å; I217-Y228 HydrophobicContact CG2-CD1 3.83Å; I217-Y228 HydrophobicContact CG2-CG 4.24Å; E219-Y228 HydrophobicContact CB-CD1 4.33Å; E219-Y228 HydrophobicContact CB-CE1 4.05Å; E219-Y228 HydrophobicContact CG-CE1 3.95Å; E219-Y228 PolarHBondContact OE1-OH 2.8Å; Y228-T243 WeakPolarHBondContact O-CA 3.32Å; Y228-T244 PolarHBondContact N-O 3.43Å; Y228-T244 PolarHBondContact O-N 3.43Å; Y228-D246 HydrophobicContact CD2-CB 4.33Å; Y228-D246 HydrophobicContact CE2-CB 3.61Å
229	Q	93.5	Very high	90.5	Very high	41 Å²	41	58.7 Å²	58.7	19%	0.192	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	129.7	174.5	-67.2	-174.8	-20.7	0	0	109.4	I217 R218 V220 T243	I217-Q229 CarbonylContact C-O 3.52Å; I217-Q229 WeakPolarHBondContact CA-O 3.36Å; R218-Q229 PolarHBondContact N-O 2.94Å; R218-Q229 PolarHBondContact O-N 3.46Å; V220-Q229 HydrophobicContact CG2-CB 4.47Å; V220-Q229 HydrophobicContact CG2-CG 3.88Å; Q229-T243 HydrophobicContact CG-CG2 4.17Å
230	V	95.4	Very high	90.5	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	112.5	172.2	-177.3	0	0	0	0	108.3	I217 A241 M242 L269 L273 F288	I217-V230 HydrophobicContact CG1-CG2 4.33Å; V230-A241 PolarHBondContact O-N 3.28Å; V230-M242 HydrophobicContact CB-CG 3.64Å; V230-M242 HydrophobicContact CG2-CG 3.42Å; V230-M242 VanDerWaalsContact CG2-CG 3.42Å; V230-M242 HydrophobicContact CG2-SD 4Å; V230-M242 PolarHBondContact N-O 3.11Å; V230-L269 HydrophobicContact CG2-CD1 4.17Å; V230-L269 HydrophobicContact CG2-CD2 4.12Å; V230-L273 HydrophobicContact CG1-CD1 4.31Å; V230-L273 HydrophobicContact CG1-CD2 3.79Å; V230-L273 HydrophobicContact CG2-CD1 4.12Å; V230-L273 HydrophobicContact CG2-CD2 4.13Å; V230-F288 HydrophobicContact CG1-CE1 3.65Å; V230-F288 HydrophobicContact CG1-CZ 4.23Å
231	C	96.4	Very high	90.4	Very high	4 Å²	4	61.7 Å²	61.7	3%	0.027	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	137.2	176.3	-58.7	0	0	0	0	109.4	V205 L209 Y215 L216 V238 K239	V205-C231 HydrophobicContact CG1-CB 3.77Å; L209-C231 HydrophobicContact CD1-CB 4.02Å; Y215-C231 CarbonylContact C-O 3.29Å; Y215-C231 WeakPolarHBondContact CA-O 3.47Å; Y215-C231 WeakPolarHBondContact CB-O 3.5Å; L216-C231 HydrophobicContact CD1-CB 4.11Å; L216-C231 HydrophobicContact CG-CB 4.47Å; L216-C231 PolarHBondContact N-O 3.4Å; L216-C231 PolarHBondContact O-N 3.29Å; C231-V238 HydrophobicContact CB-CG1 4.26Å; C231-K239 WeakPolarHBondContact CA-O 3.2Å
232	V	96.7	Very high	90.5	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	139	179.5	62.3	0	0	0	0	109.7	D214 V238 K239 A241 V286 F288	D214-V232 CarbonylContact O-C 3.54Å; D214-V232 WeakPolarHBondContact O-CA 3.19Å; V232-V238 CarbonylContact O-C 3.36Å; V232-V238 WeakPolarHBondContact O-CA 3.3Å; V232-K239 HydrophobicContact CG1-CB 4.05Å; V232-K239 PolarHBondContact N-O 2.99Å; V232-K239 PolarHBondContact O-N 3.28Å; V232-A241 HydrophobicContact CG1-CB 4.1Å; V232-V286 HydrophobicContact CG1-CB 4.07Å; V232-V286 HydrophobicContact CG1-CG1 3.9Å; V232-V286 HydrophobicContact CG1-CG2 3.93Å; V232-F288 HydrophobicContact CB-CE1 4.18Å; V232-F288 HydrophobicContact CG2-CD1 4.35Å; V232-F288 HydrophobicContact CG2-CE1 4.4Å
233	F	96.3	Very high	90.6	Very high	36 Å²	36	59.2 Å²	59.2	16%	0.158	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	128.7	169.6	-175.5	-85.2	0	0	0	109.7	L209 V210 N211 D212 G213 D214 V237 V238	L209-F233 HydrophobicContact CB-CB 3.51Å; L209-F233 HydrophobicContact CB-CD2 4.48Å; L209-F233 HydrophobicContact CB-CG 4.36Å; L209-F233 HydrophobicContact CD1-CB 4.43Å; L209-F233 VanDerWaalsContact O-CD2 3.23Å; L209-F233 WeakPolarHBondContact O-CD2 3.34Å; V210-F233 WeakPolarHBondContact O-CE1 3.3Å; N211-F233 VanDerWaalsContact C-CD1 3.49Å; N211-F233 WeakPolarHBondContact O-CD1 3.49Å; D212-F233 WeakPolarHBondContact CA-O 3.48Å; G213-F233 PolarHBondContact N-O 2.75Å; D214-F233 PolarHBondContact O-N 3.26Å; F233-V237 WeakPolarHBondContact CA-O 3.44Å; F233-V238 HydrophobicContact CD2-CG2 4.05Å
234	W	94.8	Very high	90.7	Very high	2 Å²	2	50.9 Å²	50.9	1%	0.008	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	129.1	-179.4	-166.6	-85.3	0	0	0	110.4	D212 K236 V237 G285 V286 Q287 W518 G569 V571	D212-W234 HydrophobicContact CB-CE3 4.21Å; D212-W234 HydrophobicContact CB-CZ3 4.3Å; D212-W234 WeakPolarHBondContact OD1-CA 3.37Å; W234-K236 PolarHBondContact O-N 2.92Å; W234-V237 PolarHBondContact N-O 3.2Å; W234-V237 WeakPolarHBondContact O-CG2 3.32Å; W234-V237 PolarHBondContact O-N 2.95Å; W234-V237 VanDerWaalsContact O-O 3.05Å; W234-G285 PolarHBondContact NE1-O 3.35Å; W234-V286 HydrophobicContact CB-CB 4.42Å; W234-V286 HydrophobicContact CB-CG1 3.78Å; W234-V286 HydrophobicContact CD2-CB 4.28Å; W234-V286 HydrophobicContact CD2-CG1 4.39Å; W234-V286 HydrophobicContact CE3-CB 4.39Å; W234-V286 HydrophobicContact CG-CB 4.28Å; W234-V286 HydrophobicContact CG-CG1 3.88Å; W234-Q287 HydrophobicContact CH2-CB 3.75Å; W234-Q287 HydrophobicContact CH2-CG 3.92Å; W234-Q287 HydrophobicContact CZ3-CB 3.6Å; W234-Q287 HydrophobicContact CZ3-CG 4.28Å; W234-Q287 WeakPolarHBondContact CZ3-O 3.17Å; W234-W518 AromaticContact CE2-NE1 3.64Å; W234-W518 AromaticContact CH2-CZ2 3.93Å; W234-W518 HydrophobicContact CH2-CZ2 3.93Å; W234-W518 AromaticContact CZ2-CE2 3.61Å; W234-W518 HydrophobicContact CZ2-CH2 4.29Å; W234-W518 AromaticContact CZ2-CZ2 3.36Å; W234-W518 HydrophobicContact CZ2-CZ2 3.36Å; W234-W518 AromaticContact CZ2-NE1 3.67Å; W234-W518 AromaticContact NE1-CD1 3.97Å; W234-W518 AromaticContact NE1-NE1 3.27Å; W234-G569 PolarHBondContact NE1-O 3.2Å; W234-V571 HydrophobicContact CH2-CG2 3.84Å; W234-V571 HydrophobicContact CZ2-CG2 4.06Å
235	D	91.7	Very high	90.8	Very high	43 Å²	43	46 Å²	46	23%	0.23	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	51.7	176.2	-169.3	21	0	0	0	111.9	D212 V237 K521	D212-D235 PolarHBondContact OD1-N 2.69Å; D235-V237 PolarHBondContact O-N 2.8Å; D235-K521 IonicContact OD2-NZ 2.78Å; D235-K521 PolarHBondContact OD2-NZ 3.29Å
236	K	91.1	Very high	90.2	Very high	174 Å²	174	46.4 Å²	46.4	76%	0.757	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.9	9.4	177.9	-53.7	170.2	-175.9	166.1	0	115.2	W234	W234-K236 PolarHBondContact O-N 2.92Å
237	V	93	Very high	89.4	Confident	74 Å²	74	48 Å²	48	45%	0.448	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	150.5	178.3	-62.3	0	0	0	0	111.7	F233 W234 D235 K239	F233-V237 WeakPolarHBondContact CA-O 3.44Å; W234-V237 PolarHBondContact N-O 3.2Å; W234-V237 WeakPolarHBondContact O-CG2 3.32Å; W234-V237 PolarHBondContact O-N 2.95Å; W234-V237 VanDerWaalsContact O-O 3.05Å; D235-V237 PolarHBondContact O-N 2.8Å; V237-K239 HydrophobicContact CG2-CG 4.1Å
238	V	94.4	Very high	88.4	Confident	56 Å²	56	48.7 Å²	48.7	34%	0.339	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	124.6	168.7	177.2	0	0	0	0	108.7	V205 A206 L209 C231 V232 F233	V205-V238 HydrophobicContact CG1-CG1 3.69Å; V205-V238 HydrophobicContact CG1-CG2 4.42Å; A206-V238 HydrophobicContact CB-CG2 4.32Å; L209-V238 HydrophobicContact CD1-CG1 4.26Å; L209-V238 HydrophobicContact CD1-CG2 4.49Å; C231-V238 HydrophobicContact CB-CG1 4.26Å; V232-V238 CarbonylContact O-C 3.36Å; V232-V238 WeakPolarHBondContact O-CA 3.3Å; F233-V238 HydrophobicContact CD2-CG2 4.05Å
239	K	93.8	Very high	87.3	Confident	76 Å²	76	58.5 Å²	58.5	33%	0.33	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	145.8	175.8	-63	-177.2	178	-175.1	0	110.5	C231 V232 V237 V286	C231-K239 WeakPolarHBondContact CA-O 3.2Å; V232-K239 HydrophobicContact CG1-CB 4.05Å; V232-K239 PolarHBondContact N-O 2.99Å; V232-K239 PolarHBondContact O-N 3.28Å; V237-K239 HydrophobicContact CG2-CG 4.1Å; K239-V286 HydrophobicContact CB-CG1 4.41Å; K239-V286 HydrophobicContact CD-CG1 3.56Å
240	M	91.9	Very high	86.6	Confident	98 Å²	98	64.5 Å²	64.5	48%	0.483	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	110.9	167.2	-174.3	-71.1	-56.9	0	0	107.5	M242 T243	M240-M242 PolarHBondContact SD-N 2.88Å; M240-M242 VanDerWaalsContact SD-N 3.42Å; M240-T243 PolarHBondContact SD-OG1 2.83Å
241	A	89.5	Confident	86.1	Confident	15 Å²	15	67.1 Å²	67.1	12%	0.124	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	-32.4	-172.9	0	0	0	0	0	113.1	V230 V232 V286 F288	V230-A241 PolarHBondContact O-N 3.28Å; V232-A241 HydrophobicContact CG1-CB 4.1Å; A241-V286 HydrophobicContact CB-CG2 4.22Å; A241-F288 HydrophobicContact CB-CE1 4.2Å; A241-F288 HydrophobicContact CB-CZ 3.7Å
242	M	89.4	Confident	85.8	Confident	38 Å²	38	68.2 Å²	68.2	19%	0.187	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	157.8	176.9	59.3	-174.4	73.8	0	0	111.5	V230 M240 L269 L272 L273 L276 F288	V230-M242 HydrophobicContact CB-CG 3.64Å; V230-M242 HydrophobicContact CG2-CG 3.42Å; V230-M242 VanDerWaalsContact CG2-CG 3.42Å; V230-M242 HydrophobicContact CG2-SD 4Å; V230-M242 PolarHBondContact N-O 3.11Å; M240-M242 PolarHBondContact SD-N 2.88Å; M240-M242 VanDerWaalsContact SD-N 3.42Å; M242-L269 HydrophobicContact SD-CD1 3.88Å; M242-L272 HydrophobicContact CE-CD2 4.24Å; M242-L272 HydrophobicContact SD-CD2 3.9Å; M242-L273 HydrophobicContact CE-CD2 4.28Å; M242-L273 HydrophobicContact SD-CD2 4.22Å; M242-L276 HydrophobicContact CE-CD1 4.07Å; M242-F288 HydrophobicContact CE-CE2 4.45Å; M242-F288 HydrophobicContact CE-CZ 4.22Å
243	T	85.9	Confident	85.6	Confident	76 Å²	76	73.7 Å²	73.7	47%	0.466	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	130.3	171.3	-58.7	0	0	0	0	109	A227 Y228 Q229 M240	A227-T243 HydrophobicContact CB-CG2 3.89Å; Y228-T243 WeakPolarHBondContact O-CA 3.32Å; Q229-T243 HydrophobicContact CG-CG2 4.17Å; M240-T243 PolarHBondContact SD-OG1 2.83Å
244	T	84.2	Confident	85.4	Confident	25 Å²	25	72.5 Å²	72.5	15%	0.153	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	157.9	-179.8	-177.7	0	0	0	0	112.2	Y228 L269	Y228-T244 PolarHBondContact N-O 3.43Å; Y228-T244 PolarHBondContact O-N 3.43Å; T244-L269 HydrophobicContact CG2-CB 4.47Å; T244-L269 HydrophobicContact CG2-CD1 3.96Å; T244-L269 HydrophobicContact CG2-CD2 3.66Å; T244-L269 HydrophobicContact CG2-CG 4.24Å
245	S	79.4	Confident	85.3	Confident	67 Å²	67	74.6 Å²	74.6	47%	0.469	39%	0.391	S	S	.	.			trans	-77.4	162.5	164.3	57.1	0	0	0	0	111.6	V247	S245-V247 PolarHBondContact O-N 2.94Å
246	D	70.6	Confident	85.3	Confident	45 Å²	45	78.9 Å²	78.9	24%	0.241	40%	0.404	C	S	.	.	S	Bend	trans	-61	-42.9	-177.6	-161.1	20.1	0	0	0	113.7	T189 T190 Y228	T189-D246 WeakPolarHBondContact CB-OD2 3.33Å; T190-D246 WeakPolarHBondContact CA-OD1 3.43Å; T190-D246 WeakPolarHBondContact CB-OD1 3.43Å; T190-D246 PolarHBondContact N-OD1 2.9Å; T190-D246 PolarHBondContact OG1-OD1 2.8Å; Y228-D246 HydrophobicContact CD2-CB 4.33Å; Y228-D246 HydrophobicContact CE2-CB 3.61Å
247	V	68.4	Low	85.1	Confident	115 Å²	115	74 Å²	74	70%	0.697	40%	0.396	S	S	*	.	S	Bend	trans	-119.4	95.4	-177.6	-172.6	0	0	0	0	108.4	S245	S245-V247 PolarHBondContact O-N 2.94Å
248	P	67.1	Low	84.9	Confident	27 Å²	27	72.4 Å²	72.4	18%	0.175	39%	0.388	C	S	.	.			trans	-65.3	141.8	175.3	29.2	-33.7	0	0	0	109.4	E250 L252	P248-E250 WeakPolarHBondContact CB-O 3.37Å; P248-E250 PolarHBondContact O-N 3.1Å; P248-L252 HydrophobicContact CB-CD2 3.96Å; P248-L252 HydrophobicContact CB-CG 4.41Å; P248-L252 HydrophobicContact CG-CD1 4.41Å; P248-L252 HydrophobicContact CG-CD2 4Å; P248-L252 HydrophobicContact CG-CG 3.93Å
249	K	69.3	Low	84.6	Confident	216 Å²	216	76.8 Å²	76.8	94%	0.939	41%	0.405	S	S	*	.	S	Bend	trans	-68.1	-23.5	177.6	-68.3	-179.5	-178.9	174.2	0	112.4
250	E	79.4	Confident	84.3	Confident	167 Å²	167	77.7 Å²	77.7	78%	0.78	41%	0.409	S	S	*	.	S	Bend	trans	-127.2	169.5	-177	-64.7	178.4	-176.8	0	0	109.7	P248	P248-E250 WeakPolarHBondContact CB-O 3.37Å; P248-E250 PolarHBondContact O-N 3.1Å
251	L	85.9	Confident	84.3	Confident	55 Å²	55	73.6 Å²	73.6	29%	0.288	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-64.3	138.5	173.4	-63.9	175.6	0	0	0	110.3	L253 T420	L251-L253 PolarHBondContact O-N 3.22Å; L251-T420 HydrophobicContact CD1-CG2 4.06Å; L251-T420 HydrophobicContact CD2-CG2 4.21Å
252	L	88.7	Confident	84.5	Confident	28 Å²	28	74.4 Å²	74.4	15%	0.147	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	118	166.6	-61.5	176.5	0	0	0	108.5	P248 G265 V266 R268 L269 L272	P248-L252 HydrophobicContact CB-CD2 3.96Å; P248-L252 HydrophobicContact CB-CG 4.41Å; P248-L252 HydrophobicContact CG-CD1 4.41Å; P248-L252 HydrophobicContact CG-CD2 4Å; P248-L252 HydrophobicContact CG-CG 3.93Å; L252-G265 CarbonylContact O-C 3.6Å; L252-G265 WeakPolarHBondContact O-CA 3.41Å; L252-V266 HydrophobicContact CB-CG2 4.08Å; L252-V266 WeakPolarHBondContact CB-O 3.46Å; L252-V266 PolarHBondContact N-O 2.95Å; L252-V266 PolarHBondContact O-N 3.45Å; L252-R268 VanDerWaalsContact CD1-C 3.43Å; L252-L269 HydrophobicContact CD1-CB 4.4Å; L252-L272 HydrophobicContact CB-CB 4.36Å; L252-L272 HydrophobicContact CB-CD2 4.17Å; L252-L272 HydrophobicContact CD1-CB 4.07Å; L252-L272 HydrophobicContact CD1-CD2 4.2Å
253	L	91.9	Very high	84.6	Confident	114 Å²	114	76.2 Å²	76.2	60%	0.597	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.3	137.3	-171.1	-55.8	-174.7	0	0	0	111.8	L251 T263	L251-L253 PolarHBondContact O-N 3.22Å; L253-T263 HydrophobicContact CD1-CG2 4.33Å; L253-T263 HydrophobicContact CD2-CG2 3.59Å; L253-T263 HydrophobicContact CG-CG2 4.47Å
254	L	93.6	Very high	85	Confident	12 Å²	12	73 Å²	73	6%	0.063	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-82.6	149.4	168.6	-65.6	-176.8	0	0	0	109.9	E264 V266 L272 P341 P343	L254-E264 HydrophobicContact CB-CB 4.15Å; L254-E264 HydrophobicContact CD1-CB 4.07Å; L254-E264 HydrophobicContact CG-CB 4.45Å; L254-E264 PolarHBondContact N-O 3.42Å; L254-V266 HydrophobicContact CD1-CG1 4.27Å; L254-V266 HydrophobicContact CD2-CG1 4.19Å; L254-V266 HydrophobicContact CD2-CG2 4.4Å; L254-V266 HydrophobicContact CG-CG1 4.34Å; L254-L272 HydrophobicContact CD2-CD1 3.99Å; L254-P341 HydrophobicContact CD1-CG 4.47Å; L254-P343 HydrophobicContact CB-CB 4.36Å; L254-P343 HydrophobicContact CB-CG 4.19Å
255	P	92.3	Very high	85.3	Confident	45 Å²	45	71.8 Å²	71.8	29%	0.292	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-65.3	149.1	178.3	25.9	-33.5	0	0	0	111.6	L276 C281 P343 H345	P255-L276 HydrophobicContact CG-CD2 4.01Å; P255-C281 HydrophobicContact CG-CB 4.13Å; P255-P343 HydrophobicContact CG-CB 4.36Å; P255-P343 HydrophobicContact CG-CG 3.78Å; P255-P343 WeakPolarHBondContact O-CB 3.46Å; P255-H345 PolarHBondContact O-CE1 3.05Å; P255-H345 PolarHBondContact O-ND1 3.22Å
256	R	91.6	Very high	85.8	Confident	133 Å²	133	68.6 Å²	68.6	50%	0.502	36%	0.356	S	S	.	.			trans	-126.7	146.2	174.6	66.2	-178.4	-172.2	166.1	3.4	110.5	S258 E261	R256-S258 WeakPolarHBondContact CD-O 3.44Å; R256-E261 WeakPolarHBondContact CA-OE2 3.39Å; R256-E261 HydrophobicContact CB-CB 4.17Å; R256-E261 WeakPolarHBondContact CB-OE2 3.5Å
257	A	87.7	Confident	86.5	Confident	73 Å²	73	68.9 Å²	68.9	60%	0.603	36%	0.362	S	S	*	.	S	Bend	trans	-90.8	-15.7	178.9	0	0	0	0	0	113.1	E261 H345	A257-E261 WeakPolarHBondContact CB-OE1 3.39Å; A257-E261 PolarHBondContact N-OE2 3.44Å; A257-H345 HydrophobicContact CB-CB 3.73Å
258	S	88.3	Confident	87.4	Confident	39 Å²	39	64.6 Å²	64.6	27%	0.273	33%	0.333	S	S	.	.	S	Bend	trans	-146.6	155.8	-177.1	-178.5	0	0	0	0	111.9	R256 F260 E261	R256-S258 WeakPolarHBondContact CD-O 3.44Å; S258-F260 PolarHBondContact O-N 3.04Å; S258-F260 WeakPolarHBondContact OG-CD2 3.41Å; S258-F260 PolarHBondContact OG-N 3.31Å; S258-E261 WeakPolarHBondContact O-CB 3.47Å; S258-E261 PolarHBondContact O-N 3.28Å
259	E	88.2	Confident	88.5	Confident	149 Å²	149	63.5 Å²	63.5	70%	0.696	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-23.5	173.1	66.5	-173.2	152.6	0	0	113.2	E261	E259-E261 PolarHBondContact O-N 3.39Å
260	F	87.9	Confident	89.6	Confident	95 Å²	95	53.3 Å²	53.3	42%	0.417	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-17.4	174.9	-60.2	-69	0	0	0	112.7	S258 V353 I373	S258-F260 PolarHBondContact O-N 3.04Å; S258-F260 WeakPolarHBondContact OG-CD2 3.41Å; S258-F260 PolarHBondContact OG-N 3.31Å; F260-V353 HydrophobicContact CD2-CG2 4.49Å; F260-I373 HydrophobicContact CB-CD1 3.83Å; F260-I373 WeakPolarHBondContact O-CD1 3.22Å
261	E	91.5	Very high	90.1	Very high	11 Å²	11	45.3 Å²	45.3	5%	0.051	24%	0.244	C	C	.	.	S	Bend	trans	-76.6	134.4	177	-69.4	166.8	-159.5	0	0	110.4	R256 A257 S258 E259 L344 H345 I373	R256-E261 WeakPolarHBondContact CA-OE2 3.39Å; R256-E261 HydrophobicContact CB-CB 4.17Å; R256-E261 WeakPolarHBondContact CB-OE2 3.5Å; A257-E261 WeakPolarHBondContact CB-OE1 3.39Å; A257-E261 PolarHBondContact N-OE2 3.44Å; S258-E261 WeakPolarHBondContact O-CB 3.47Å; S258-E261 PolarHBondContact O-N 3.28Å; E259-E261 PolarHBondContact O-N 3.39Å; E261-L344 HydrophobicContact CB-CD2 4.47Å; E261-L344 HydrophobicContact CG-CD2 4.3Å; E261-H345 WeakPolarHBondContact OE1-CB 3.39Å; E261-H345 IonicContact OE2-CG 3.34Å; E261-H345 IonicContact OE2-ND1 2.68Å; E261-I373 HydrophobicContact CG-CD1 4.21Å
262	P	92.5	Very high	90.5	Very high	32 Å²	32	43.4 Å²	43.4	21%	0.208	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-63.8	148.8	176.6	29.2	-35.5	0	0	0	110.6	E264 L344 L380 F408	P262-E264 PolarHBondContact O-N 2.72Å; P262-L344 HydrophobicContact CG-CD2 4.09Å; P262-L380 HydrophobicContact CG-CD2 4.08Å; P262-F408 HydrophobicContact CB-CE1 3.74Å; P262-F408 HydrophobicContact CB-CZ 3.88Å; P262-F408 HydrophobicContact CG-CE1 3.63Å; P262-F408 HydrophobicContact CG-CZ 4.02Å
263	T	92.6	Very high	90.7	Very high	76 Å²	76	42.1 Å²	42.1	47%	0.466	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-68.8	116.6	174	-57.9	0	0	0	0	109.6	L253	L253-T263 HydrophobicContact CD1-CG2 4.33Å; L253-T263 HydrophobicContact CD2-CG2 3.59Å; L253-T263 HydrophobicContact CG-CG2 4.47Å
264	E	93.8	Very high	90.8	Very high	8 Å²	8	36.9 Å²	36.9	4%	0.037	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-103.2	152.7	172	-64.6	-176.7	124.4	0	0	110.2	L254 P262 P343 L344 F408 C421 V422	L254-E264 HydrophobicContact CB-CB 4.15Å; L254-E264 HydrophobicContact CD1-CB 4.07Å; L254-E264 HydrophobicContact CG-CB 4.45Å; L254-E264 PolarHBondContact N-O 3.42Å; P262-E264 PolarHBondContact O-N 2.72Å; E264-P343 WeakPolarHBondContact OE2-CA 3.41Å; E264-L344 WeakPolarHBondContact OE2-CB 3.35Å; E264-L344 PolarHBondContact OE2-N 2.97Å; E264-F408 HydrophobicContact CG-CE2 4Å; E264-F408 HydrophobicContact CG-CZ 3.68Å; E264-C421 HydrophobicContact CB-CB 4.24Å; E264-C421 HydrophobicContact CG-CB 4.2Å; E264-C421 WeakPolarHBondContact OE1-CA 3.36Å; E264-C421 WeakPolarHBondContact OE1-CB 3.49Å; E264-V422 WeakPolarHBondContact OE1-CG2 3.38Å; E264-V422 PolarHBondContact OE1-N 2.93Å
265	G	91.2	Very high	90.8	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.01	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	167.9	178.8	0	0	0	0	0	114	L252 T420	L252-G265 CarbonylContact O-C 3.6Å; L252-G265 WeakPolarHBondContact O-CA 3.41Å; G265-T420 PolarHBondContact N-O 3.17Å; G265-T420 WeakPolarHBondContact O-CB 3.34Å; G265-T420 PolarHBondContact O-OG1 3.12Å
266	V	89.9	Confident	91	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	153.3	179	-64	0	0	0	0	110.3	L252 L254 H271 L272 P341	L252-V266 HydrophobicContact CB-CG2 4.08Å; L252-V266 WeakPolarHBondContact CB-O 3.46Å; L252-V266 PolarHBondContact N-O 2.95Å; L252-V266 PolarHBondContact O-N 3.45Å; L254-V266 HydrophobicContact CD1-CG1 4.27Å; L254-V266 HydrophobicContact CD2-CG1 4.19Å; L254-V266 HydrophobicContact CD2-CG2 4.4Å; L254-V266 HydrophobicContact CG-CG1 4.34Å; V266-H271 HydrophobicContact CB-CB 3.64Å; V266-H271 HydrophobicContact CG1-CB 4.08Å; V266-H271 HydrophobicContact CG2-CB 3.81Å; V266-L272 HydrophobicContact CG2-CB 3.81Å; V266-P341 HydrophobicContact CG1-CG 3.99Å
267	S	84.8	Confident	91.1	Very high	50 Å²	50	28.2 Å²	28.2	35%	0.35	16%	0.161	S	C	.	.	S	Bend	trans	-86.7	-8.9	-170.4	53.5	0	0	0	0	114.5
268	R	86.6	Confident	91.2	Very high	25 Å²	25	25.7 Å²	25.7	9%	0.094	14%	0.138	C	C	.	.	S	Bend	trans	-143.8	151.6	-171	-59.9	-176.5	66.1	-166.6	0.6	112.9	S187 K188 T189 L252 D270 H271 L272	S187-R268 PolarHBondContact O-NH1 3.1Å; S187-R268 PolarHBondContact O-NH2 3.43Å; K188-R268 VanDerWaalsContact C-NH2 3.3Å; K188-R268 PolarHBondContact O-NH2 3.31Å; T189-R268 PolarHBondContact O-NH2 3.08Å; L252-R268 VanDerWaalsContact CD1-C 3.43Å; R268-D270 VanDerWaalsContact C-N 3.35Å; R268-D270 PolarHBondContact O-N 2.76Å; R268-H271 WeakPolarHBondContact O-CB 3.36Å; R268-H271 PolarHBondContact O-N 3.34Å; R268-H271 VanDerWaalsContact O-N 3.11Å; R268-L272 PolarHBondContact O-N 3.3Å; R268-L272 VanDerWaalsContact O-N 3.08Å
269	L	90.5	Very high	91.3	Very high	5 Å²	5	24.3 Å²	24.3	3%	0.026	13%	0.13	C	C	.	.	H	α-helix	trans	-60.5	-41.2	-179.9	-177.2	59	0	0	0	112.7	T190 I217 V230 M242 T244 L252 H271 L272 L273	T190-L269 HydrophobicContact CG2-CD2 3.93Å; I217-L269 HydrophobicContact CD1-CD2 3.7Å; I217-L269 HydrophobicContact CD1-CG 4.27Å; I217-L269 HydrophobicContact CG1-CD2 4.21Å; V230-L269 HydrophobicContact CG2-CD1 4.17Å; V230-L269 HydrophobicContact CG2-CD2 4.12Å; M242-L269 HydrophobicContact SD-CD1 3.88Å; T244-L269 HydrophobicContact CG2-CB 4.47Å; T244-L269 HydrophobicContact CG2-CD1 3.96Å; T244-L269 HydrophobicContact CG2-CD2 3.66Å; T244-L269 HydrophobicContact CG2-CG 4.24Å; L252-L269 HydrophobicContact CD1-CB 4.4Å; L269-H271 VanDerWaalsContact C-N 3.28Å; L269-H271 PolarHBondContact O-N 2.83Å; L269-L272 HydrophobicContact CD1-CD2 4.44Å; L269-L272 PolarHBondContact O-N 3.13Å; L269-L272 VanDerWaalsContact O-N 3.15Å; L269-L273 HydrophobicContact CD1-CD1 4.14Å; L269-L273 HydrophobicContact CD1-CD2 4.41Å; L269-L273 HydrophobicContact CD1-CG 3.97Å; L269-L273 HydrophobicContact CD2-CD1 4.49Å; L269-L273 HydrophobicContact CG-CD1 3.94Å; L269-L273 HydrophobicContact CG-CG 4.22Å; L269-L273 WeakPolarHBondContact O-CG 3.48Å; L269-L273 PolarHBondContact O-N 3.31Å
270	D	92.1	Very high	91.4	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.005	11%	0.111	C	C	.	.	H	α-helix	trans	-58.1	-42.5	175.2	179.8	54.4	0	0	0	111.7	L184 E185 L193 Y195 R268 L272 L273 K274	L184-D270 WeakPolarHBondContact CA-OD2 3.44Å; E185-D270 PolarHBondContact N-OD2 3.08Å; L193-D270 HydrophobicContact CD1-CB 3.99Å; L193-D270 HydrophobicContact CD2-CB 3.79Å; Y195-D270 WeakPolarHBondContact OH-CA 3.34Å; Y195-D270 WeakPolarHBondContact OH-CB 3.28Å; Y195-D270 PolarHBondContact OH-OD1 2.87Å; R268-D270 VanDerWaalsContact C-N 3.35Å; R268-D270 PolarHBondContact O-N 2.76Å; D270-L272 VanDerWaalsContact C-N 3.33Å; D270-L272 PolarHBondContact O-N 3.16Å; D270-L273 PolarHBondContact O-N 3.44Å; D270-K274 VanDerWaalsContact O-CB 3.23Å; D270-K274 WeakPolarHBondContact O-CB 3.3Å; D270-K274 WeakPolarHBondContact O-CG 3.31Å; D270-K274 PolarHBondContact O-N 2.77Å
271	H	91	Very high	91.5	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-62.7	-43.9	177.8	-55.1	168.6	0	0	0	110.5	V266 R268 L269 S275 N330 F333	V266-H271 HydrophobicContact CB-CB 3.64Å; V266-H271 HydrophobicContact CG1-CB 4.08Å; V266-H271 HydrophobicContact CG2-CB 3.81Å; R268-H271 WeakPolarHBondContact O-CB 3.36Å; R268-H271 PolarHBondContact O-N 3.34Å; R268-H271 VanDerWaalsContact O-N 3.11Å; L269-H271 VanDerWaalsContact C-N 3.28Å; L269-H271 PolarHBondContact O-N 2.83Å; H271-S275 WeakPolarHBondContact O-CB 3.48Å; H271-S275 PolarHBondContact O-N 3.05Å; H271-S275 PolarHBondContact O-OG 2.77Å; H271-N330 PolarHBondContact NE2-OD1 3.39Å; H271-F333 AromaticContact CE1-CE2 3.31Å; H271-F333 WeakPolarHBondContact CE1-CE2 3.43Å; H271-F333 AromaticContact CE1-CZ 3.98Å; H271-F333 AromaticContact ND1-CE2 3.52Å; H271-F333 AromaticContact ND1-CZ 3.7Å; H271-F333 AromaticContact NE2-CE2 3.73Å
272	L	93.1	Very high	91.5	Very high	15 Å²	15	16.8 Å²	16.8	8%	0.079	10%	0.101	C	C	.	.	H	α-helix	trans	-62.3	-54.6	178.1	177.9	65.9	0	0	0	111	M242 L252 L254 V266 R268 L269 D270 K274 S275 L276	M242-L272 HydrophobicContact CE-CD2 4.24Å; M242-L272 HydrophobicContact SD-CD2 3.9Å; L252-L272 HydrophobicContact CB-CB 4.36Å; L252-L272 HydrophobicContact CB-CD2 4.17Å; L252-L272 HydrophobicContact CD1-CB 4.07Å; L252-L272 HydrophobicContact CD1-CD2 4.2Å; L254-L272 HydrophobicContact CD2-CD1 3.99Å; V266-L272 HydrophobicContact CG2-CB 3.81Å; R268-L272 PolarHBondContact O-N 3.3Å; R268-L272 VanDerWaalsContact O-N 3.08Å; L269-L272 HydrophobicContact CD1-CD2 4.44Å; L269-L272 PolarHBondContact O-N 3.13Å; L269-L272 VanDerWaalsContact O-N 3.15Å; D270-L272 VanDerWaalsContact C-N 3.33Å; D270-L272 PolarHBondContact O-N 3.16Å; L272-K274 VanDerWaalsContact C-N 3.29Å; L272-K274 PolarHBondContact O-N 3.19Å; L272-S275 WeakPolarHBondContact O-CB 3.44Å; L272-S275 PolarHBondContact O-N 2.82Å; L272-S275 VanDerWaalsContact O-N 3.1Å; L272-L276 HydrophobicContact CD1-CD1 4.1Å; L272-L276 HydrophobicContact CD1-CD2 4.44Å; L272-L276 HydrophobicContact CD1-CG 4.12Å; L272-L276 HydrophobicContact CG-CD1 3.93Å; L272-L276 HydrophobicContact CG-CG 4.34Å; L272-L276 VanDerWaalsContact O-CG 3.25Å; L272-L276 WeakPolarHBondContact O-CG 3.23Å; L272-L276 PolarHBondContact O-N 3.44Å
273	L	94.5	Very high	91.3	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-60.5	-40.3	-176.5	-66.7	176.2	0	0	0	111.9	Y195 Y215 I217 V230 M242 L269 D270 L276 T277 F288	Y195-L273 HydrophobicContact CE2-CD1 3.92Å; Y215-L273 HydrophobicContact CD2-CD1 4.37Å; Y215-L273 HydrophobicContact CE2-CB 4.17Å; Y215-L273 HydrophobicContact CE2-CD1 4.06Å; I217-L273 HydrophobicContact CD1-CD1 3.92Å; I217-L273 HydrophobicContact CG1-CD1 4.07Å; V230-L273 HydrophobicContact CG1-CD1 4.31Å; V230-L273 HydrophobicContact CG1-CD2 3.79Å; V230-L273 HydrophobicContact CG2-CD1 4.12Å; V230-L273 HydrophobicContact CG2-CD2 4.13Å; M242-L273 HydrophobicContact CE-CD2 4.28Å; M242-L273 HydrophobicContact SD-CD2 4.22Å; L269-L273 HydrophobicContact CD1-CD1 4.14Å; L269-L273 HydrophobicContact CD1-CD2 4.41Å; L269-L273 HydrophobicContact CD1-CG 3.97Å; L269-L273 HydrophobicContact CD2-CD1 4.49Å; L269-L273 HydrophobicContact CG-CD1 3.94Å; L269-L273 HydrophobicContact CG-CG 4.22Å; L269-L273 WeakPolarHBondContact O-CG 3.48Å; L269-L273 PolarHBondContact O-N 3.31Å; D270-L273 PolarHBondContact O-N 3.44Å; L273-L276 PolarHBondContact O-N 3.06Å; L273-T277 WeakPolarHBondContact O-CB 3.36Å; L273-T277 PolarHBondContact O-N 3.03Å; L273-T277 PolarHBondContact O-OG1 2.79Å; L273-F288 HydrophobicContact CD2-CD1 4.36Å; L273-F288 HydrophobicContact CD2-CE1 4.1Å; L273-F288 HydrophobicContact CD2-CZ 4.18Å
274	K	93.8	Very high	90.9	Very high	4 Å²	4	19.8 Å²	19.8	2%	0.017	11%	0.113	C	C	.	.	H	α-helix	trans	-72.1	-34.1	176.9	-63.1	-70.9	-179.8	-175.3	0	111.9	N181 L183 L184 Y215 D270 L272 T277 V278 A340	N181-K274 WeakPolarHBondContact O-CD 3.49Å; N181-K274 PolarHBondContact O-NZ 2.91Å; L183-K274 WeakPolarHBondContact O-CE 3.5Å; L184-K274 HydrophobicContact CD2-CB 3.83Å; L184-K274 HydrophobicContact CD2-CG 3.99Å; Y215-K274 PolarHBondContact OH-NZ 2.95Å; D270-K274 VanDerWaalsContact O-CB 3.23Å; D270-K274 WeakPolarHBondContact O-CB 3.3Å; D270-K274 WeakPolarHBondContact O-CG 3.31Å; D270-K274 PolarHBondContact O-N 2.77Å; L272-K274 VanDerWaalsContact C-N 3.29Å; L272-K274 PolarHBondContact O-N 3.19Å; K274-T277 PolarHBondContact O-N 3.06Å; K274-V278 WeakPolarHBondContact O-CB 3.33Å; K274-V278 WeakPolarHBondContact O-CG1 3.47Å; K274-V278 PolarHBondContact O-N 2.82Å; K274-A340 VanDerWaalsContact C-CB 3.43Å; K274-A340 HydrophobicContact CB-CB 3.45Å; K274-A340 VanDerWaalsContact CB-CB 3.45Å
275	S	94.3	Very high	90.7	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-62.7	-44.7	171	-78.7	0	0	0	0	111.7	H271 L272 T277 V278 G279 A340 P341	H271-S275 WeakPolarHBondContact O-CB 3.48Å; H271-S275 PolarHBondContact O-N 3.05Å; H271-S275 PolarHBondContact O-OG 2.77Å; L272-S275 WeakPolarHBondContact O-CB 3.44Å; L272-S275 PolarHBondContact O-N 2.82Å; L272-S275 VanDerWaalsContact O-N 3.1Å; S275-T277 VanDerWaalsContact C-N 3.33Å; S275-V278 WeakPolarHBondContact O-CG1 3.24Å; S275-G279 PolarHBondContact O-N 3.48Å; S275-A340 VanDerWaalsContact N-CB 3.27Å; S275-P341 WeakPolarHBondContact CA-O 3.48Å; S275-P341 WeakPolarHBondContact CB-O 3.27Å; S275-P341 VanDerWaalsContact OG-CD 3.32Å; S275-P341 WeakPolarHBondContact OG-CD 3.32Å; S275-P341 PolarHBondContact OG-O 3.3Å
276	L	94.9	Very high	90.7	Very high	4 Å²	4	19.9 Å²	19.9	2%	0.021	12%	0.116	C	C	.	.	H	α-helix	trans	-64.3	-40.6	175.3	-63.3	172.3	0	0	0	110.8	M242 P255 L272 L273 N280 C281 V283 F288	M242-L276 HydrophobicContact CE-CD1 4.07Å; P255-L276 HydrophobicContact CG-CD2 4.01Å; L272-L276 HydrophobicContact CD1-CD1 4.1Å; L272-L276 HydrophobicContact CD1-CD2 4.44Å; L272-L276 HydrophobicContact CD1-CG 4.12Å; L272-L276 HydrophobicContact CG-CD1 3.93Å; L272-L276 HydrophobicContact CG-CG 4.34Å; L272-L276 VanDerWaalsContact O-CG 3.25Å; L272-L276 WeakPolarHBondContact O-CG 3.23Å; L272-L276 PolarHBondContact O-N 3.44Å; L273-L276 PolarHBondContact O-N 3.06Å; L276-N280 CarbonylContact O-C 3.58Å; L276-N280 WeakPolarHBondContact O-CA 3.45Å; L276-N280 PolarHBondContact O-N 2.85Å; L276-C281 HydrophobicContact CB-CB 4.14Å; L276-C281 HydrophobicContact CD2-CB 3.48Å; L276-C281 VanDerWaalsContact CD2-CB 3.48Å; L276-C281 HydrophobicContact CG-CB 4.41Å; L276-C281 PolarHBondContact O-N 2.86Å; L276-V283 HydrophobicContact CD1-CG2 3.89Å; L276-V283 HydrophobicContact CD2-CG2 3.81Å; L276-V283 HydrophobicContact CG-CG2 4.42Å; L276-F288 HydrophobicContact CB-CD2 3.89Å; L276-F288 HydrophobicContact CB-CE2 4.49Å; L276-F288 HydrophobicContact CD1-CD2 4.03Å; L276-F288 HydrophobicContact CD1-CE2 3.8Å
277	T	93.9	Very high	90.9	Very high	5 Å²	5	19.9 Å²	19.9	3%	0.031	12%	0.116	C	C	.	.	H	α-helix	trans	-64.3	-51.3	176.9	-57.9	0	0	0	0	111.8	L182 L273 K274 S275 G279 N280 F288 K289	L182-T277 HydrophobicContact CD2-CG2 4.08Å; L273-T277 WeakPolarHBondContact O-CB 3.36Å; L273-T277 PolarHBondContact O-N 3.03Å; L273-T277 PolarHBondContact O-OG1 2.79Å; K274-T277 PolarHBondContact O-N 3.06Å; S275-T277 VanDerWaalsContact C-N 3.33Å; T277-G279 VanDerWaalsContact C-N 3.26Å; T277-G279 PolarHBondContact O-N 3.43Å; T277-N280 PolarHBondContact O-N 3.34Å; T277-F288 WeakPolarHBondContact CA-O 3.36Å; T277-F288 WeakPolarHBondContact OG1-CB 3.31Å; T277-K289 WeakPolarHBondContact CG2-O 3.4Å
278	V	90.1	Very high	91.4	Very high	20 Å²	20	17.5 Å²	17.5	12%	0.121	10%	0.1	C	C	.	.	H	α-helix	trans	-67.4	-28	-178.3	71.5	0	0	0	0	112.6	L182 K274 S275 R342	L182-V278 HydrophobicContact CD2-CB 4.31Å; L182-V278 HydrophobicContact CD2-CG2 4.49Å; K274-V278 WeakPolarHBondContact O-CB 3.33Å; K274-V278 WeakPolarHBondContact O-CG1 3.47Å; K274-V278 PolarHBondContact O-N 2.82Å; S275-V278 WeakPolarHBondContact O-CG1 3.24Å; V278-R342 HydrophobicContact CG1-CG 3.84Å; V278-R342 HydrophobicContact CG2-CG 4.28Å
279	G	89.5	Confident	91.6	Very high	10 Å²	10	18.7 Å²	18.7	10%	0.103	11%	0.106	C	C	.	.	H	α-helix	trans	-84.5	-8.9	173.6	0	0	0	0	0	114.2	S275 T277 C281 L346	S275-G279 PolarHBondContact O-N 3.48Å; T277-G279 VanDerWaalsContact C-N 3.26Å; T277-G279 PolarHBondContact O-N 3.43Å; G279-C281 PolarHBondContact O-N 2.72Å; G279-L346 WeakPolarHBondContact O-CD1 3.44Å
280	N	90.2	Very high	91.7	Very high	55 Å²	55	23.4 Å²	23.4	29%	0.294	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.6	44.1	-165.3	-54.1	-66.4	0	0	0	111.2	L276 T277 Q564 R573	L276-N280 CarbonylContact O-C 3.58Å; L276-N280 WeakPolarHBondContact O-CA 3.45Å; L276-N280 PolarHBondContact O-N 2.85Å; T277-N280 PolarHBondContact O-N 3.34Å; N280-Q564 HydrophobicContact CB-CG 4.3Å; N280-R573 PolarHBondContact O-NH1 3.49Å; N280-R573 PolarHBondContact O-NH2 3.29Å
281	C	91.3	Very high	91.8	Very high	5 Å²	5	23.6 Å²	23.6	3%	0.034	13%	0.125	C	C	.	.			trans	-69.3	142.6	-176.3	-62.1	0	0	0	0	110.6	P255 L276 G279 L346	P255-C281 HydrophobicContact CG-CB 4.13Å; L276-C281 HydrophobicContact CB-CB 4.14Å; L276-C281 HydrophobicContact CD2-CB 3.48Å; L276-C281 VanDerWaalsContact CD2-CB 3.48Å; L276-C281 HydrophobicContact CG-CB 4.41Å; L276-C281 PolarHBondContact O-N 2.86Å; G279-C281 PolarHBondContact O-N 2.72Å; C281-L346 WeakPolarHBondContact SG-CD1 3.32Å
282	V	90.3	Very high	92	Very high	36 Å²	36	24.6 Å²	24.6	22%	0.218	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	119.2	170.9	-174.1	0	0	0	0	108.3	V286 Q287 N499 W518	V282-V286 VanDerWaalsContact CA-O 3.3Å; V282-V286 WeakPolarHBondContact CA-O 3.48Å; V282-Q287 HydrophobicContact CG2-CG 4.01Å; V282-N499 HydrophobicContact CG1-CB 4.41Å; V282-N499 HydrophobicContact CG2-CB 4.45Å; V282-W518 HydrophobicContact CB-CH2 4.41Å; V282-W518 HydrophobicContact CG1-CH2 4.18Å; V282-W518 HydrophobicContact CG1-CZ2 4Å; V282-W518 HydrophobicContact CG2-CH2 3.32Å; V282-W518 HydrophobicContact CG2-CZ2 3.95Å; V282-W518 HydrophobicContact CG2-CZ3 3.95Å
283	V	88.4	Confident	91.9	Very high	38 Å²	38	25.2 Å²	25.2	23%	0.23	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	121.6	175.1	-178.4	0	0	0	0	106.9	L276 G285 V286 F288	L276-V283 HydrophobicContact CD1-CG2 3.89Å; L276-V283 HydrophobicContact CD2-CG2 3.81Å; L276-V283 HydrophobicContact CG-CG2 4.42Å; V283-G285 PolarHBondContact O-N 2.74Å; V283-G285 VanDerWaalsContact O-N 3.1Å; V283-V286 PolarHBondContact N-O 2.63Å; V283-V286 WeakPolarHBondContact O-CG2 3.4Å; V283-V286 PolarHBondContact O-N 3.2Å; V283-F288 HydrophobicContact CB-CE2 4.25Å; V283-F288 HydrophobicContact CG2-CE2 4.28Å
284	D	85.7	Confident	91.7	Very high	133 Å²	133	26.8 Å²	26.8	71%	0.711	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.2	42.6	178.6	-161.1	28.7	0	0	0	114.3	V286	D284-V286 VanDerWaalsContact C-N 3.29Å; D284-V286 PolarHBondContact O-N 3.34Å
285	G	88.4	Confident	91.2	Very high	9 Å²	9	32.5 Å²	32.5	9%	0.093	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.9	15.5	180	0	0	0	0	0	115.6	W234 V283 W518	W234-G285 PolarHBondContact NE1-O 3.35Å; V283-G285 PolarHBondContact O-N 2.74Å; V283-G285 VanDerWaalsContact O-N 3.1Å; G285-W518 PolarHBondContact O-NE1 2.84Å
286	V	92.5	Very high	90.8	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.012	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	161.2	172.9	-58.6	0	0	0	0	112	V232 W234 K239 A241 V282 V283 D284 F288	V232-V286 HydrophobicContact CG1-CB 4.07Å; V232-V286 HydrophobicContact CG1-CG1 3.9Å; V232-V286 HydrophobicContact CG1-CG2 3.93Å; W234-V286 HydrophobicContact CB-CB 4.42Å; W234-V286 HydrophobicContact CB-CG1 3.78Å; W234-V286 HydrophobicContact CD2-CB 4.28Å; W234-V286 HydrophobicContact CD2-CG1 4.39Å; W234-V286 HydrophobicContact CE3-CB 4.39Å; W234-V286 HydrophobicContact CG-CB 4.28Å; W234-V286 HydrophobicContact CG-CG1 3.88Å; K239-V286 HydrophobicContact CB-CG1 4.41Å; K239-V286 HydrophobicContact CD-CG1 3.56Å; A241-V286 HydrophobicContact CB-CG2 4.22Å; V282-V286 VanDerWaalsContact CA-O 3.3Å; V282-V286 WeakPolarHBondContact CA-O 3.48Å; V283-V286 PolarHBondContact N-O 2.63Å; V283-V286 WeakPolarHBondContact O-CG2 3.4Å; V283-V286 PolarHBondContact O-N 3.2Å; D284-V286 VanDerWaalsContact C-N 3.29Å; D284-V286 PolarHBondContact O-N 3.34Å; V286-F288 HydrophobicContact CG2-CZ 4.37Å
287	Q	93.8	Very high	90.2	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	147.8	164.1	-64.5	173.6	-10.2	0	0	110.8	G213 W234 V282 W518 R573	G213-Q287 WeakPolarHBondContact CA-O 3.18Å; W234-Q287 HydrophobicContact CH2-CB 3.75Å; W234-Q287 HydrophobicContact CH2-CG 3.92Å; W234-Q287 HydrophobicContact CZ3-CB 3.6Å; W234-Q287 HydrophobicContact CZ3-CG 4.28Å; W234-Q287 WeakPolarHBondContact CZ3-O 3.17Å; V282-Q287 HydrophobicContact CG2-CG 4.01Å; Q287-W518 HydrophobicContact CG-CH2 3.86Å; Q287-W518 HydrophobicContact CG-CZ2 3.99Å; Q287-W518 VanDerWaalsContact NE2-CH2 3.3Å; Q287-R573 VanDerWaalsContact NE2-CZ 3.32Å
288	F	94.2	Very high	89.6	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.219	C	C	.	.			trans	-93.3	132.8	172.5	-56.2	-82.6	0	0	0	109.9	Y215 V230 V232 A241 M242 L273 L276 T277 V283 V286	Y215-F288 HydrophobicContact CD1-CB 3.86Å; Y215-F288 AromaticContact CD1-CD1 3.87Å; Y215-F288 HydrophobicContact CD1-CD1 3.87Å; Y215-F288 HydrophobicContact CD1-CG 4.36Å; Y215-F288 HydrophobicContact CD2-CD1 4.29Å; Y215-F288 HydrophobicContact CE1-CB 3.94Å; Y215-F288 AromaticContact CG-CD1 3.73Å; Y215-F288 HydrophobicContact CG-CD1 3.73Å; V230-F288 HydrophobicContact CG1-CE1 3.65Å; V230-F288 HydrophobicContact CG1-CZ 4.23Å; V232-F288 HydrophobicContact CB-CE1 4.18Å; V232-F288 HydrophobicContact CG2-CD1 4.35Å; V232-F288 HydrophobicContact CG2-CE1 4.4Å; A241-F288 HydrophobicContact CB-CE1 4.2Å; A241-F288 HydrophobicContact CB-CZ 3.7Å; M242-F288 HydrophobicContact CE-CE2 4.45Å; M242-F288 HydrophobicContact CE-CZ 4.22Å; L273-F288 HydrophobicContact CD2-CD1 4.36Å; L273-F288 HydrophobicContact CD2-CE1 4.1Å; L273-F288 HydrophobicContact CD2-CZ 4.18Å; L276-F288 HydrophobicContact CB-CD2 3.89Å; L276-F288 HydrophobicContact CB-CE2 4.49Å; L276-F288 HydrophobicContact CD1-CD2 4.03Å; L276-F288 HydrophobicContact CD1-CE2 3.8Å; T277-F288 WeakPolarHBondContact CA-O 3.36Å; T277-F288 WeakPolarHBondContact OG1-CB 3.31Å; V283-F288 HydrophobicContact CB-CE2 4.25Å; V283-F288 HydrophobicContact CG2-CE2 4.28Å; V286-F288 HydrophobicContact CG2-CZ 4.37Å
289	K	92	Very high	89.2	Confident	51 Å²	51	47.7 Å²	47.7	22%	0.222	24%	0.242	C	C	.	.			trans	-128.2	-44.9	-179.9	-69.2	-172.5	174.2	-177.6	0	113	G213 T277 Q564	G213-K289 PolarHBondContact O-N 2.72Å; T277-K289 WeakPolarHBondContact CG2-O 3.4Å; K289-Q564 WeakPolarHBondContact CE-O 3.36Å; K289-Q564 PolarHBondContact NZ-O 3.34Å
290	R	92.3	Very high	88.7	Confident	103 Å²	103	50 Å²	50	39%	0.389	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	124.3	-173.2	176.5	169.4	71.7	157.4	13	111.9	N181 N211 G213 D214 Y215 V292	N181-R290 WeakPolarHBondContact ND2-CG 3.39Å; N211-R290 PolarHBondContact ND2-NH2 3.1Å; G213-R290 PolarHBondContact O-N 3.13Å; D214-R290 CarbonylContact C-O 3.53Å; D214-R290 WeakPolarHBondContact CA-O 3.4Å; D214-R290 IonicContact OD1-CZ 3.76Å; D214-R290 IonicContact OD1-NE 3.6Å; D214-R290 PolarHBondContact OD1-NE 3.02Å; D214-R290 IonicContact OD1-NH2 2.72Å; D214-R290 PolarHBondContact OD1-NH2 3.42Å; D214-R290 IonicContact OD2-CZ 2.86Å; D214-R290 IonicContact OD2-NE 3.46Å; D214-R290 IonicContact OD2-NH2 3.38Å; D214-R290 PolarHBondContact OD2-NH2 2.78Å; Y215-R290 VanDerWaalsContact CD1-C 3.44Å; Y215-R290 WeakPolarHBondContact CD1-O 3.24Å; Y215-R290 PolarHBondContact N-O 2.83Å; R290-V292 PolarHBondContact O-N 3.33Å
291	A	94.3	Very high	87.9	Confident	6 Å²	6	50.3 Å²	50.3	5%	0.05	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	123.7	169.3	0	0	0	0	0	109.1	Y195 Y215	Y195-A291 HydrophobicContact CD1-CB 3.9Å; Y195-A291 HydrophobicContact CD2-CB 4.25Å; Y195-A291 HydrophobicContact CE1-CB 4.45Å; Y195-A291 HydrophobicContact CG-CB 3.79Å; Y215-A291 HydrophobicContact CE1-CB 4.24Å; Y215-A291 HydrophobicContact CE2-CB 3.89Å; Y215-A291 CarbonylContact O-C 3.52Å; Y215-A291 WeakPolarHBondContact O-CA 3.44Å
292	V	94.5	Very high	87	Confident	21 Å²	21	57.7 Å²	57.7	13%	0.127	28%	0.284	C	S	.	.			trans	-86.1	112.3	173	179.3	0	0	0	0	108	Y195 Y197 L208 L209 D214 Y215 R290	Y195-V292 WeakPolarHBondContact CA-O 3.46Å; Y195-V292 WeakPolarHBondContact CB-O 3.32Å; Y197-V292 WeakPolarHBondContact CE2-O 3.43Å; L208-V292 HydrophobicContact CB-CG1 4.28Å; L209-V292 HydrophobicContact CD2-CB 4.05Å; L209-V292 HydrophobicContact CD2-CG2 3.67Å; D214-V292 HydrophobicContact CB-CG2 3.85Å; Y215-V292 PolarHBondContact O-N 2.93Å; R290-V292 PolarHBondContact O-N 3.33Å
293	T	92	Very high	86.2	Confident	28 Å²	28	59.1 Å²	59.1	17%	0.172	30%	0.296	C	S	.	.			trans	-95.1	141	-171.9	53.3	0	0	0	0	112.1	T194 Y197 L295 E298	T194-T293 CarbonylContact O-C 3.57Å; T194-T293 WeakPolarHBondContact O-CA 3.28Å; T194-T293 WeakPolarHBondContact OG1-CG2 3.42Å; Y197-T293 PolarHBondContact OH-O 3Å; Y197-T293 VanDerWaalsContact OH-O 3.14Å; T293-L295 PolarHBondContact O-N 3.22Å; T293-E298 PolarHBondContact OG1-OE2 2.81Å
294	D	89.2	Confident	85.2	Confident	33 Å²	33	65.5 Å²	65.5	18%	0.176	32%	0.316	C	S	.	.			trans	-68.3	118	166.6	-178.4	-13.3	0	0	0	108.6	T194 Y197 E296 K297 E298	T194-D294 WeakPolarHBondContact O-CB 3.38Å; T194-D294 PolarHBondContact O-N 3.37Å; Y197-D294 HydrophobicContact CD1-CB 4.22Å; Y197-D294 HydrophobicContact CE1-CB 3.63Å; Y197-D294 HydrophobicContact CE2-CB 4.49Å; Y197-D294 WeakPolarHBondContact OH-CA 3.4Å; Y197-D294 PolarHBondContact OH-N 3.49Å; Y197-D294 VanDerWaalsContact OH-N 3.09Å; D294-E296 VanDerWaalsContact C-N 3.26Å; D294-E296 PolarHBondContact O-N 3.46Å; D294-E296 PolarHBondContact OD1-N 3.23Å; D294-K297 HydrophobicContact CB-CB 4.08Å; D294-K297 HydrophobicContact CB-CD 4.29Å; D294-K297 HydrophobicContact CB-CG 4.16Å; D294-K297 PolarHBondContact O-N 3.1Å; D294-E298 WeakPolarHBondContact O-CB 3.39Å; D294-E298 PolarHBondContact O-N 2.78Å
295	L	84.1	Confident	84.3	Confident	123 Å²	123	63.1 Å²	63.1	64%	0.644	30%	0.3	S	S	*	.	H	α-helix	trans	-60.3	-36.9	-178	-66.6	174.5	0	0	0	111.6	T293 E298 E299	T293-L295 PolarHBondContact O-N 3.22Å; L295-E298 PolarHBondContact O-N 2.87Å; L295-E299 WeakPolarHBondContact O-CB 3.25Å; L295-E299 WeakPolarHBondContact O-CG 3.28Å; L295-E299 PolarHBondContact O-N 3.18Å
296	E	84.3	Confident	83.1	Confident	148 Å²	148	66.3 Å²	66.3	69%	0.692	32%	0.318	S	S	*	.	H	α-helix	trans	-68.8	-41.8	-179.4	-62.4	-172.3	173.8	0	0	111.2	D294 S300	D294-E296 VanDerWaalsContact C-N 3.26Å; D294-E296 PolarHBondContact O-N 3.46Å; D294-E296 PolarHBondContact OD1-N 3.23Å; E296-S300 WeakPolarHBondContact O-CB 3.38Å; E296-S300 PolarHBondContact O-N 3.08Å; E296-S300 PolarHBondContact O-OG 3.12Å
297	K	83.9	Confident	81.7	Confident	45 Å²	45	71.2 Å²	71.2	20%	0.196	34%	0.344	C	S	.	.	H	α-helix	trans	-67.2	-39.7	174.3	-71	-172.3	176.6	-172.4	0	111.5	K191 C196 D294 S300 M301	K191-K297 PolarHBondContact O-NZ 3.05Å; C196-K297 PolarHBondContact O-NZ 3.22Å; D294-K297 HydrophobicContact CB-CB 4.08Å; D294-K297 HydrophobicContact CB-CD 4.29Å; D294-K297 HydrophobicContact CB-CG 4.16Å; D294-K297 PolarHBondContact O-N 3.1Å; K297-S300 WeakPolarHBondContact O-CB 3.34Å; K297-S300 PolarHBondContact O-N 2.84Å; K297-M301 WeakPolarHBondContact O-CB 3.43Å; K297-M301 PolarHBondContact O-N 3.01Å
298	E	81.5	Confident	79.9	Confident	25 Å²	25	76.4 Å²	76.4	12%	0.117	37%	0.369	C	S	.	.	H	α-helix	trans	-63.1	-47.2	177.1	176.9	164.3	-165.5	0	0	111.8	K180 T293 D294 L295 S300 M301 R302	K180-E298 IonicContact NZ-OE1 2.74Å; K180-E298 PolarHBondContact NZ-OE1 3.27Å; K180-E298 IonicContact NZ-OE2 3.42Å; K180-E298 PolarHBondContact NZ-OE2 3.1Å; T293-E298 PolarHBondContact OG1-OE2 2.81Å; D294-E298 WeakPolarHBondContact O-CB 3.39Å; D294-E298 PolarHBondContact O-N 2.78Å; L295-E298 PolarHBondContact O-N 2.87Å; E298-S300 VanDerWaalsContact C-N 3.32Å; E298-S300 PolarHBondContact O-N 2.76Å; E298-M301 PolarHBondContact O-N 2.76Å; E298-R302 WeakPolarHBondContact O-CG 3.3Å; E298-R302 PolarHBondContact O-N 2.96Å; E298-R302 IonicContact OE1-CZ 3.33Å; E298-R302 IonicContact OE1-NE 2.82Å; E298-R302 PolarHBondContact OE1-NE 3.26Å; E298-R302 IonicContact OE1-NH2 2.7Å; E298-R302 PolarHBondContact OE1-NH2 2.94Å
299	E	81.5	Confident	77.9	Confident	131 Å²	131	79.8 Å²	79.8	61%	0.612	39%	0.387	S	S	*	.	H	α-helix	trans	-61.5	-41.4	175.9	-75.3	-178.2	177	0	0	111.8	L295 M301 R302 S303	L295-E299 WeakPolarHBondContact O-CB 3.25Å; L295-E299 WeakPolarHBondContact O-CG 3.28Å; L295-E299 PolarHBondContact O-N 3.18Å; E299-M301 PolarHBondContact O-N 3.41Å; E299-R302 PolarHBondContact O-N 2.9Å; E299-S303 WeakPolarHBondContact O-CB 3.32Å; E299-S303 PolarHBondContact O-N 3.27Å; E299-S303 PolarHBondContact O-OG 2.87Å
300	S	78.1	Confident	76.1	Confident	57 Å²	57	80.9 Å²	80.9	40%	0.399	40%	0.395	S	S	.	.	H	α-helix	trans	-60.8	-42.7	174.3	-65.6	0	0	0	0	112.1	E296 K297 E298 S303 R304	E296-S300 WeakPolarHBondContact O-CB 3.38Å; E296-S300 PolarHBondContact O-N 3.08Å; E296-S300 PolarHBondContact O-OG 3.12Å; K297-S300 WeakPolarHBondContact O-CB 3.34Å; K297-S300 PolarHBondContact O-N 2.84Å; E298-S300 VanDerWaalsContact C-N 3.32Å; E298-S300 PolarHBondContact O-N 2.76Å; S300-S303 PolarHBondContact O-N 2.84Å; S300-R304 WeakPolarHBondContact O-CG 3.28Å; S300-R304 PolarHBondContact O-N 3.01Å
301	M	74.4	Confident	74.2	Confident	63 Å²	63	78.4 Å²	78.4	31%	0.31	39%	0.391	S	S	.	.	H	α-helix	trans	-68	-44	177.5	-168.9	-173.4	-110.6	0	0	111.6	E185 T194 K297 E298 E299 S303 R304 Q305	E185-M301 HydrophobicContact CB-CE 4.38Å; T194-M301 HydrophobicContact CG2-CB 4.31Å; T194-M301 HydrophobicContact CG2-CE 4.17Å; T194-M301 HydrophobicContact CG2-SD 3.8Å; K297-M301 WeakPolarHBondContact O-CB 3.43Å; K297-M301 PolarHBondContact O-N 3.01Å; E298-M301 PolarHBondContact O-N 2.76Å; E299-M301 PolarHBondContact O-N 3.41Å; M301-S303 VanDerWaalsContact C-N 3.31Å; M301-S303 PolarHBondContact O-N 2.89Å; M301-R304 PolarHBondContact O-N 2.85Å; M301-Q305 PolarHBondContact O-N 3.33Å
302	R	72.3	Confident	72	Confident	160 Å²	160	87.2 Å²	87.2	60%	0.604	42%	0.423	S	S	*	.	H	α-helix	trans	-59.7	-42.7	175	-73.6	-177.7	-173.2	-162.5	5.2	111.4	E298 E299 Q305 T306	E298-R302 WeakPolarHBondContact O-CG 3.3Å; E298-R302 PolarHBondContact O-N 2.96Å; E298-R302 IonicContact OE1-CZ 3.33Å; E298-R302 IonicContact OE1-NE 2.82Å; E298-R302 PolarHBondContact OE1-NE 3.26Å; E298-R302 IonicContact OE1-NH2 2.7Å; E298-R302 PolarHBondContact OE1-NH2 2.94Å; E299-R302 PolarHBondContact O-N 2.9Å; R302-Q305 PolarHBondContact O-N 2.82Å; R302-T306 WeakPolarHBondContact O-CB 3.33Å; R302-T306 PolarHBondContact O-N 2.83Å; R302-T306 PolarHBondContact O-OG1 2.93Å
303	S	72.1	Confident	69.9	Low	66 Å²	66	93.4 Å²	93.4	46%	0.462	45%	0.452	S	S	.	.	H	α-helix	trans	-61.8	-46.9	177.1	-61.3	0	0	0	0	111.4	E299 S300 M301 Q305 T306 I307	E299-S303 WeakPolarHBondContact O-CB 3.32Å; E299-S303 PolarHBondContact O-N 3.27Å; E299-S303 PolarHBondContact O-OG 2.87Å; S300-S303 PolarHBondContact O-N 2.84Å; M301-S303 VanDerWaalsContact C-N 3.31Å; M301-S303 PolarHBondContact O-N 2.89Å; S303-Q305 PolarHBondContact O-N 3.36Å; S303-T306 PolarHBondContact O-N 2.84Å; S303-I307 VanDerWaalsContact O-CG1 3.25Å; S303-I307 WeakPolarHBondContact O-CG1 3.37Å; S303-I307 PolarHBondContact O-N 2.81Å
304	R	67.8	Low	67.9	Low	171 Å²	171	97.7 Å²	97.7	65%	0.645	47%	0.473	S	S	*	.	H	α-helix	trans	-60.2	-44.1	174.8	-73.9	174.6	-177.4	149.7	1.9	112.5	S300 M301 T306 I307 M308	S300-R304 WeakPolarHBondContact O-CG 3.28Å; S300-R304 PolarHBondContact O-N 3.01Å; M301-R304 PolarHBondContact O-N 2.85Å; R304-T306 VanDerWaalsContact C-N 3.33Å; R304-T306 PolarHBondContact O-N 2.89Å; R304-I307 PolarHBondContact O-N 2.99Å; R304-M308 WeakPolarHBondContact O-CG 2.72Å; R304-M308 PolarHBondContact O-N 3.23Å
305	Q	68.1	Low	65.6	Low	83 Å²	83	98.4 Å²	98.4	39%	0.388	49%	0.488	S	S	.	.	H	α-helix	trans	-66.1	-37.7	178.6	-171.8	61.1	46.1	0	0	111.9	M301 R302 S303 M308 N309	M301-Q305 PolarHBondContact O-N 3.33Å; R302-Q305 PolarHBondContact O-N 2.82Å; S303-Q305 PolarHBondContact O-N 3.36Å; Q305-M308 PolarHBondContact O-N 3.24Å; Q305-N309 PolarHBondContact NE2-OD1 2.82Å; Q305-N309 WeakPolarHBondContact O-CB 3.32Å; Q305-N309 PolarHBondContact O-N 2.87Å; Q305-N309 PolarHBondContact O-ND2 2.83Å
306	T	62.9	Low	63.6	Low	77 Å²	77	99.4 Å²	99.4	47%	0.472	49%	0.488	S	S	.	.	H	α-helix	trans	-65	-46.1	176.3	-58.9	0	0	0	0	110.6	R302 S303 R304 M308 N309 I310	R302-T306 WeakPolarHBondContact O-CB 3.33Å; R302-T306 PolarHBondContact O-N 2.83Å; R302-T306 PolarHBondContact O-OG1 2.93Å; S303-T306 PolarHBondContact O-N 2.84Å; R304-T306 VanDerWaalsContact C-N 3.33Å; R304-T306 PolarHBondContact O-N 2.89Å; T306-M308 PolarHBondContact O-N 3.08Å; T306-N309 PolarHBondContact O-N 3.08Å; T306-I310 HydrophobicContact CG2-CD1 3.85Å; T306-I310 HydrophobicContact CG2-CG1 4.47Å; T306-I310 WeakPolarHBondContact O-CB 3.28Å; T306-I310 VanDerWaalsContact O-CG1 3.25Å; T306-I310 WeakPolarHBondContact O-CG1 3.38Å; T306-I310 PolarHBondContact O-N 2.97Å
307	I	62.2	Low	61.7	Low	105 Å²	105	95.9 Å²	95.9	54%	0.538	48%	0.477	S	S	.	.	H	α-helix	trans	-58.7	-47.9	173.7	-67.2	164.2	0	0	0	110.2	S303 R304 N309 I310 T311	S303-I307 VanDerWaalsContact O-CG1 3.25Å; S303-I307 WeakPolarHBondContact O-CG1 3.37Å; S303-I307 PolarHBondContact O-N 2.81Å; R304-I307 PolarHBondContact O-N 2.99Å; I307-N309 VanDerWaalsContact C-N 3.34Å; I307-N309 PolarHBondContact O-N 2.95Å; I307-I310 PolarHBondContact O-N 3.1Å; I307-T311 WeakPolarHBondContact O-CB 3.41Å; I307-T311 PolarHBondContact O-N 2.88Å; I307-T311 PolarHBondContact O-OG1 2.9Å
308	M	56.3	Low	59.4	Low	108 Å²	108	102.4 Å²	102.4	53%	0.532	51%	0.508	S	S	.	.	H	α-helix	trans	-58.9	-43.1	177.2	-78.7	-179	53.6	0	0	112.7	R304 Q305 T306 T311 R312	R304-M308 WeakPolarHBondContact O-CG 2.72Å; R304-M308 PolarHBondContact O-N 3.23Å; Q305-M308 PolarHBondContact O-N 3.24Å; T306-M308 PolarHBondContact O-N 3.08Å; M308-T311 PolarHBondContact O-N 2.87Å; M308-R312 WeakPolarHBondContact O-CB 3.28Å; M308-R312 PolarHBondContact O-N 2.88Å
309	N	52.4	Low	57.2	Low	71 Å²	71	105 Å²	105	38%	0.38	53%	0.534	S	S	.	.	H	α-helix	trans	-66.4	-40.7	177.5	-71	-12.8	0	0	0	111.2	Q305 T306 I307 R312 M313	Q305-N309 PolarHBondContact NE2-OD1 2.82Å; Q305-N309 WeakPolarHBondContact O-CB 3.32Å; Q305-N309 PolarHBondContact O-N 2.87Å; Q305-N309 PolarHBondContact O-ND2 2.83Å; T306-N309 PolarHBondContact O-N 3.08Å; I307-N309 VanDerWaalsContact C-N 3.34Å; I307-N309 PolarHBondContact O-N 2.95Å; N309-R312 WeakPolarHBondContact O-CB 3.42Å; N309-R312 PolarHBondContact O-N 3.27Å; N309-M313 WeakPolarHBondContact O-CG 3.19Å; N309-M313 PolarHBondContact O-N 3.09Å
310	I	54	Low	55	Low	75 Å²	75	105.4 Å²	105.4	39%	0.385	53%	0.534	S	S	.	.	H	α-helix	trans	-63.9	-47	174.4	-69.4	168	0	0	0	110.6	T306 I307 R312 M313 L314	T306-I310 HydrophobicContact CG2-CD1 3.85Å; T306-I310 HydrophobicContact CG2-CG1 4.47Å; T306-I310 WeakPolarHBondContact O-CB 3.28Å; T306-I310 VanDerWaalsContact O-CG1 3.25Å; T306-I310 WeakPolarHBondContact O-CG1 3.38Å; T306-I310 PolarHBondContact O-N 2.97Å; I307-I310 PolarHBondContact O-N 3.1Å; I310-R312 PolarHBondContact O-N 2.88Å; I310-M313 HydrophobicContact CG1-CE 4.32Å; I310-M313 PolarHBondContact O-N 2.89Å; I310-M313 VanDerWaalsContact O-N 3.08Å; I310-L314 HydrophobicContact CG2-CD1 3.58Å; I310-L314 HydrophobicContact CG2-CG 4.06Å; I310-L314 WeakPolarHBondContact O-CB 3.3Å; I310-L314 WeakPolarHBondContact O-CG 3.5Å; I310-L314 PolarHBondContact O-N 3.05Å
311	T	52.3	Low	53	Low	50 Å²	50	108 Å²	108	31%	0.307	55%	0.548	S	S	.	.	H	α-helix	trans	-59.1	-37.3	176.1	-54.7	0	0	0	0	111.6	I307 M308 F316	I307-T311 WeakPolarHBondContact O-CB 3.41Å; I307-T311 PolarHBondContact O-N 2.88Å; I307-T311 PolarHBondContact O-OG1 2.9Å; M308-T311 PolarHBondContact O-N 2.87Å; T311-F316 HydrophobicContact CG2-CB 4.38Å; T311-F316 HydrophobicContact CG2-CD2 4.43Å
312	R	49.1	Very low	51.1	Low	191 Å²	191	109.1 Å²	109.1	72%	0.721	57%	0.566	S	S	*	*	H	α-helix	trans	-67.3	-40.3	174.1	-163.2	-175.4	-140.7	160.9	4.8	112.3	M308 N309 I310	M308-R312 WeakPolarHBondContact O-CB 3.28Å; M308-R312 PolarHBondContact O-N 2.88Å; N309-R312 WeakPolarHBondContact O-CB 3.42Å; N309-R312 PolarHBondContact O-N 3.27Å; I310-R312 PolarHBondContact O-N 2.88Å
313	M	48.6	Very low	49	Very low	152 Å²	152	109.2 Å²	109.2	75%	0.749	57%	0.574	S	S	*	*	H	α-helix	trans	-72.4	-34	177.6	-74.3	-166.1	-59.5	0	0	113	N309 I310 G315	N309-M313 WeakPolarHBondContact O-CG 3.19Å; N309-M313 PolarHBondContact O-N 3.09Å; I310-M313 HydrophobicContact CG1-CE 4.32Å; I310-M313 PolarHBondContact O-N 2.89Å; I310-M313 VanDerWaalsContact O-N 3.08Å; M313-G315 PolarHBondContact O-N 3.22Å
314	L	50.7	Low	47	Very low	117 Å²	117	109.9 Å²	109.9	61%	0.613	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.5	14.4	-180	-70	175.6	0	0	0	114	I310 F316	I310-L314 HydrophobicContact CG2-CD1 3.58Å; I310-L314 HydrophobicContact CG2-CG 4.06Å; I310-L314 WeakPolarHBondContact O-CB 3.3Å; I310-L314 WeakPolarHBondContact O-CG 3.5Å; I310-L314 PolarHBondContact O-N 3.05Å; L314-F316 VanDerWaalsContact C-N 3.29Å; L314-F316 HydrophobicContact CB-CD2 4.24Å; L314-F316 HydrophobicContact CB-CE2 4.34Å; L314-F316 PolarHBondContact O-N 3.1Å
315	G	41.6	Very low	45.1	Very low	48 Å²	48	105.3 Å²	105.3	50%	0.495	56%	0.563	S	S	.	*	T	Hydrogen-bonded Turn	trans	70.9	17.5	167.2	0	0	0	0	0	115.4	M313 T317	M313-G315 PolarHBondContact O-N 3.22Å; G315-T317 PolarHBondContact O-N 3.3Å; G315-T317 PolarHBondContact O-OG1 2.86Å
316	F	41.5	Very low	43.3	Very low	144 Å²	144	109.1 Å²	109.1	63%	0.632	59%	0.585	S	S	*	*			trans	-74.8	51.5	164.2	-66.2	-78.1	0	0	0	110.3	T311 L314	T311-F316 HydrophobicContact CG2-CB 4.38Å; T311-F316 HydrophobicContact CG2-CD2 4.43Å; L314-F316 VanDerWaalsContact C-N 3.29Å; L314-F316 HydrophobicContact CB-CD2 4.24Å; L314-F316 HydrophobicContact CB-CE2 4.34Å; L314-F316 PolarHBondContact O-N 3.1Å
317	T	43.5	Very low	41.9	Very low	75 Å²	75	110.8 Å²	110.8	46%	0.46	60%	0.595	S	S	.	*	H	α-helix	trans	-86.6	-16.7	-168.3	21.2	0	0	0	0	114.2	G315 T321	G315-T317 PolarHBondContact O-N 3.3Å; G315-T317 PolarHBondContact O-OG1 2.86Å; T317-T321 PolarHBondContact O-OG1 2.96Å; T317-T321 VanDerWaalsContact O-OG1 3.08Å
318	E	37	Very low	40.8	Very low	182 Å²	182	108.8 Å²	108.8	85%	0.85	58%	0.583	S	S	*	*	H	α-helix	trans	-85.8	-25.6	-173.8	-68.7	-171.4	163.1	0	0	114.4
319	A	35.7	Very low	40.5	Very low	80 Å²	80	106 Å²	106	66%	0.661	57%	0.573	S	S	*	*	H	α-helix	trans	-94.1	-25.5	-179.8	0	0	0	0	0	114.2
320	F	34.2	Very low	40.6	Very low	139 Å²	139	103 Å²	103	61%	0.61	56%	0.557	S	S	*	*	H	α-helix	trans	-91	-23.7	-169.9	-110.6	-88.2	0	0	0	114.9
321	T	35.6	Very low	41	Very low	112 Å²	112	105.5 Å²	105.5	69%	0.687	56%	0.561	S	S	*	*	S	Bend	trans	-83.4	-29.2	180	47.5	0	0	0	0	112.9	T317	T317-T321 PolarHBondContact O-OG1 2.96Å; T317-T321 VanDerWaalsContact O-OG1 3.08Å
322	A	35.3	Very low	41.9	Very low	85 Å²	85	105 Å²	105	70%	0.702	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.2	-14.5	-175.6	0	0	0	0	0	114.8
323	Q	28.6	Very low	43.3	Very low	163 Å²	163	96 Å²	96	76%	0.762	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137	42.5	-177.7	-65.6	-173.2	3.5	0	0	112.9	P325	Q323-P325 WeakPolarHBondContact O-CD 3.45Å
324	M	29.6	Very low	44.7	Very low	80 Å²	80	91.8 Å²	91.8	39%	0.394	50%	0.502	S	S	.	.			trans	-72.6	101.8	154.7	-80.6	-98	95.5	0	0	106.5	F328	M324-F328 HydrophobicContact CE-CE2 3.34Å; M324-F328 HydrophobicContact CE-CZ 3.6Å; M324-F328 HydrophobicContact SD-CD2 4.13Å; M324-F328 HydrophobicContact SD-CE2 3.39Å; M324-F328 WeakPolarHBondContact SD-CE2 3.15Å; M324-F328 HydrophobicContact SD-CZ 3.95Å
325	P	27.5	Very low	46.3	Very low	74 Å²	74	87.6 Å²	87.6	48%	0.481	48%	0.48	S	S	.	.			trans	-62.4	150.1	180	-10.1	28.9	0	0	0	107.5	Q323 T327	Q323-P325 WeakPolarHBondContact O-CD 3.45Å; P325-T327 PolarHBondContact O-N 2.92Å
326	L	31.5	Very low	48.4	Very low	164 Å²	164	86.3 Å²	86.3	86%	0.859	46%	0.462	S	S	*	.	S	Bend	trans	-60.7	20.8	179.2	-71.5	156.7	0	0	0	114.3
327	T	31.8	Very low	50.4	Low	112 Å²	112	87.4 Å²	87.4	69%	0.687	47%	0.467	S	S	*	.			trans	-105.3	16.2	-171.4	50.1	0	0	0	0	114.6	P325 P329	P325-T327 PolarHBondContact O-N 2.92Å; T327-P329 VanDerWaalsContact O-CD 3.28Å; T327-P329 WeakPolarHBondContact O-CD 3.46Å
328	F	40.6	Very low	52.4	Low	62 Å²	62	89.6 Å²	89.6	27%	0.272	47%	0.467	S	S	.	.			trans	-83.1	114	167.2	-75.9	-85	0	0	0	110.1	M324 N330	M324-F328 HydrophobicContact CE-CE2 3.34Å; M324-F328 HydrophobicContact CE-CZ 3.6Å; M324-F328 HydrophobicContact SD-CD2 4.13Å; M324-F328 HydrophobicContact SD-CE2 3.39Å; M324-F328 WeakPolarHBondContact SD-CE2 3.15Å; M324-F328 HydrophobicContact SD-CZ 3.95Å; F328-N330 PolarHBondContact O-N 2.83Å
329	P	48.7	Very low	54.8	Low	51 Å²	51	86.1 Å²	86.1	33%	0.331	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-9.6	-178.6	25.1	-33.5	0	0	0	113.8	T327	T327-P329 VanDerWaalsContact O-CD 3.28Å; T327-P329 WeakPolarHBondContact O-CD 3.46Å
330	N	55.8	Low	57.4	Low	6 Å²	6	82.4 Å²	82.4	3%	0.032	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-4	-171.1	-67.2	-8.7	0	0	0	115.4	E185 H271 F328 Q332 F333	E185-N330 PolarHBondContact O-ND2 3.18Å; H271-N330 PolarHBondContact NE2-OD1 3.39Å; F328-N330 PolarHBondContact O-N 2.83Å; N330-Q332 VanDerWaalsContact C-N 3.28Å; N330-Q332 PolarHBondContact O-N 2.92Å; N330-F333 PolarHBondContact O-N 3Å
331	R	60.9	Low	60.1	Low	129 Å²	129	75.8 Å²	75.8	49%	0.487	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-59.7	-34	-173.6	-89.5	-168	-178	178.1	4.3	113.9	F333 N334	R331-F333 VanDerWaalsContact C-N 3.25Å; R331-F333 PolarHBondContact O-N 2.85Å; R331-N334 VanDerWaalsContact O-CB 3.25Å; R331-N334 WeakPolarHBondContact O-CB 3.15Å; R331-N334 PolarHBondContact O-N 2.84Å
332	Q	71.8	Confident	62.9	Low	40 Å²	40	73.8 Å²	73.8	19%	0.187	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-63.9	-32.5	176.6	66	-176.9	4.6	0	0	112.2	N330 N334 L335 K418 L419 L424	N330-Q332 VanDerWaalsContact C-N 3.28Å; N330-Q332 PolarHBondContact O-N 2.92Å; Q332-N334 PolarHBondContact O-N 3.2Å; Q332-L335 WeakPolarHBondContact O-CB 3.47Å; Q332-L335 WeakPolarHBondContact O-CD1 3.36Å; Q332-L335 VanDerWaalsContact O-CG 3.24Å; Q332-L335 WeakPolarHBondContact O-CG 3.48Å; Q332-L335 PolarHBondContact O-N 3.08Å; Q332-K418 PolarHBondContact OE1-O 3.35Å; Q332-L419 HydrophobicContact CB-CD2 4.3Å; Q332-L424 HydrophobicContact CG-CD1 4.14Å; Q332-L424 WeakPolarHBondContact O-CD2 3.46Å
333	F	78.4	Confident	65.8	Low	0 Å²	0	69.8 Å²	69.8	0%	0	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-76.3	-6	178.1	-56.6	-70.7	0	0	0	113.1	L184 H271 N330 R331 L335 L336 K337 Y338 P341 L424	L184-F333 HydrophobicContact CD1-CB 3.69Å; L184-F333 HydrophobicContact CD1-CD1 3.89Å; L184-F333 HydrophobicContact CD1-CD2 3.48Å; L184-F333 VanDerWaalsContact CD1-CD2 3.48Å; L184-F333 HydrophobicContact CD1-CE1 4.45Å; L184-F333 HydrophobicContact CD1-CE2 4.08Å; L184-F333 HydrophobicContact CD1-CG 3.38Å; H271-F333 AromaticContact CE1-CE2 3.31Å; H271-F333 WeakPolarHBondContact CE1-CE2 3.43Å; H271-F333 AromaticContact CE1-CZ 3.98Å; H271-F333 AromaticContact ND1-CE2 3.52Å; H271-F333 AromaticContact ND1-CZ 3.7Å; H271-F333 AromaticContact NE2-CE2 3.73Å; N330-F333 PolarHBondContact O-N 3Å; R331-F333 VanDerWaalsContact C-N 3.25Å; R331-F333 PolarHBondContact O-N 2.85Å; F333-L335 PolarHBondContact O-N 3.33Å; F333-L336 HydrophobicContact CD1-CD1 4.43Å; F333-L336 CarbonylContact O-C 3.52Å; F333-L336 WeakPolarHBondContact O-CA 3.3Å; F333-L336 PolarHBondContact O-N 3.29Å; F333-K337 PolarHBondContact O-N 3.28Å; F333-Y338 WeakPolarHBondContact O-CA 3.23Å; F333-Y338 PolarHBondContact O-N 2.83Å; F333-P341 VanDerWaalsContact CE1-CD 3.48Å; F333-P341 HydrophobicContact CE1-CG 3.95Å; F333-L424 HydrophobicContact CD1-CD1 4.37Å; F333-L424 HydrophobicContact CD1-CD2 3.86Å; F333-L424 HydrophobicContact CE1-CD1 3.86Å; F333-L424 HydrophobicContact CE1-CD2 4.18Å; F333-L424 HydrophobicContact CE1-CG 4.39Å; F333-L424 HydrophobicContact CZ-CD1 4.47Å
334	N	79.2	Confident	69	Low	64 Å²	64	62 Å²	62	34%	0.342	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-55.4	-34	166.9	-71.2	17.9	0	0	0	111	R331 Q332 L336 K337 Y338	R331-N334 VanDerWaalsContact O-CB 3.25Å; R331-N334 WeakPolarHBondContact O-CB 3.15Å; R331-N334 PolarHBondContact O-N 2.84Å; Q332-N334 PolarHBondContact O-N 3.2Å; N334-L336 PolarHBondContact O-N 3.46Å; N334-K337 WeakPolarHBondContact O-CA 3.21Å; N334-K337 PolarHBondContact O-N 3.01Å; N334-Y338 PolarHBondContact ND2-OH 3.02Å; N334-Y338 WeakPolarHBondContact OD1-CE1 3.44Å; N334-Y338 PolarHBondContact OD1-OH 3.42Å
335	L	83	Confident	72	Confident	30 Å²	30	60.2 Å²	60.2	16%	0.157	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-57.2	-32.6	174.8	-60.5	173.3	0	0	0	112.2	Q332 F333 L419 A427 E431	Q332-L335 WeakPolarHBondContact O-CB 3.47Å; Q332-L335 WeakPolarHBondContact O-CD1 3.36Å; Q332-L335 VanDerWaalsContact O-CG 3.24Å; Q332-L335 WeakPolarHBondContact O-CG 3.48Å; Q332-L335 PolarHBondContact O-N 3.08Å; F333-L335 PolarHBondContact O-N 3.33Å; L335-L419 HydrophobicContact CD1-CD2 4.47Å; L335-A427 HydrophobicContact CB-CB 3.88Å; L335-E431 WeakPolarHBondContact CA-OE2 3.49Å; L335-E431 HydrophobicContact CD2-CB 4.31Å; L335-E431 VanDerWaalsContact CD2-OE2 3.28Å; L335-E431 WeakPolarHBondContact CD2-OE2 2.94Å
336	L	86.2	Confident	75.1	Confident	21 Å²	21	58.7 Å²	58.7	11%	0.11	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-100.7	18.3	177.7	-55.7	-178.4	0	0	0	112.1	F333 N334 Y338 R339 P341 E423 L424 A427	F333-L336 HydrophobicContact CD1-CD1 4.43Å; F333-L336 CarbonylContact O-C 3.52Å; F333-L336 WeakPolarHBondContact O-CA 3.3Å; F333-L336 PolarHBondContact O-N 3.29Å; N334-L336 PolarHBondContact O-N 3.46Å; L336-Y338 PolarHBondContact O-N 2.79Å; L336-R339 HydrophobicContact CB-CB 4.27Å; L336-R339 VanDerWaalsContact O-CB 3.29Å; L336-R339 WeakPolarHBondContact O-CB 3.14Å; L336-R339 WeakPolarHBondContact O-CG 3.45Å; L336-R339 PolarHBondContact O-N 3.12Å; L336-P341 HydrophobicContact CD1-CB 3.92Å; L336-E423 HydrophobicContact CD1-CG 4.48Å; L336-E423 HydrophobicContact CD2-CG 3.99Å; L336-L424 HydrophobicContact CD1-CD2 3.74Å; L336-L424 HydrophobicContact CD1-CG 4.23Å; L336-L424 HydrophobicContact CG-CD2 3.93Å; L336-A427 HydrophobicContact CD2-CB 3.5Å; L336-A427 VanDerWaalsContact CD2-CB 3.5Å; L336-A427 HydrophobicContact CG-CB 4.48Å
337	K	84.1	Confident	78	Confident	167 Å²	167	50.9 Å²	50.9	73%	0.726	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.4	43.2	-176	-56	176.7	-178.6	176.2	0	112	F333 N334 R339	F333-K337 PolarHBondContact O-N 3.28Å; N334-K337 WeakPolarHBondContact O-CA 3.21Å; N334-K337 PolarHBondContact O-N 3.01Å; K337-R339 VanDerWaalsContact C-N 3.25Å; K337-R339 PolarHBondContact O-N 3.32Å
338	Y	85.3	Confident	80.9	Confident	121 Å²	121	47.6 Å²	47.6	48%	0.475	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	64	21.4	-177.3	-51.8	-87.2	0	0	0	114.8	L184 F333 N334 L336	L184-Y338 WeakPolarHBondContact CB-O 3.48Å; L184-Y338 WeakPolarHBondContact CG-O 3.44Å; L184-Y338 PolarHBondContact N-O 3.07Å; F333-Y338 WeakPolarHBondContact O-CA 3.23Å; F333-Y338 PolarHBondContact O-N 2.83Å; N334-Y338 PolarHBondContact ND2-OH 3.02Å; N334-Y338 WeakPolarHBondContact OD1-CE1 3.44Å; N334-Y338 PolarHBondContact OD1-OH 3.42Å; L336-Y338 PolarHBondContact O-N 2.79Å
339	R	86.9	Confident	83.5	Confident	108 Å²	108	45.4 Å²	45.4	41%	0.408	21%	0.205	S	C	.	.	B	Isolated β-bridge	trans	-83.8	150.6	167.3	-64.6	178.8	178.9	176.9	-0.8	110.6	L183 L336 K337	L183-R339 HydrophobicContact CD2-CG 4.04Å; L336-R339 HydrophobicContact CB-CB 4.27Å; L336-R339 VanDerWaalsContact O-CB 3.29Å; L336-R339 WeakPolarHBondContact O-CB 3.14Å; L336-R339 WeakPolarHBondContact O-CG 3.45Å; L336-R339 PolarHBondContact O-N 3.12Å; K337-R339 VanDerWaalsContact C-N 3.25Å; K337-R339 PolarHBondContact O-N 3.32Å
340	A	89.9	Confident	85.7	Confident	3 Å²	3	43.5 Å²	43.5	3%	0.025	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-67.4	150.1	165.9	0	0	0	0	0	110.5	L184 K274 S275	L184-A340 HydrophobicContact CD2-CB 3.68Å; L184-A340 HydrophobicContact CG-CB 4.4Å; K274-A340 VanDerWaalsContact C-CB 3.43Å; K274-A340 HydrophobicContact CB-CB 3.45Å; K274-A340 VanDerWaalsContact CB-CB 3.45Å; S275-A340 VanDerWaalsContact N-CB 3.27Å
341	P	92.4	Very high	87.6	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-74.6	149.4	178.7	30.6	-33.6	0	0	0	110.8	L254 V266 S275 F333 L336 C421 E423	L254-P341 HydrophobicContact CD1-CG 4.47Å; V266-P341 HydrophobicContact CG1-CG 3.99Å; S275-P341 WeakPolarHBondContact CA-O 3.48Å; S275-P341 WeakPolarHBondContact CB-O 3.27Å; S275-P341 VanDerWaalsContact OG-CD 3.32Å; S275-P341 WeakPolarHBondContact OG-CD 3.32Å; S275-P341 PolarHBondContact OG-O 3.3Å; F333-P341 VanDerWaalsContact CE1-CD 3.48Å; F333-P341 HydrophobicContact CE1-CG 3.95Å; L336-P341 HydrophobicContact CD1-CB 3.92Å; P341-C421 WeakPolarHBondContact CB-SG 3.47Å; P341-E423 WeakPolarHBondContact CA-OE2 3.42Å; P341-E423 HydrophobicContact CB-CB 4.41Å
342	R	94.5	Very high	89.2	Confident	70 Å²	70	38.7 Å²	38.7	26%	0.264	18%	0.179	S	C	.	.	P	Polyproline II helix	trans	-81.3	142.6	165.3	-70.1	179.5	-171.4	120.8	-8.4	109.7	V278 L347 E423	V278-R342 HydrophobicContact CG1-CG 3.84Å; V278-R342 HydrophobicContact CG2-CG 4.28Å; R342-L347 HydrophobicContact CB-CD2 3.73Å; R342-E423 PolarHBondContact N-OE2 3.25Å; R342-E423 IonicContact NH1-OE1 3.4Å; R342-E423 PolarHBondContact NH1-OE1 2.86Å
343	P	94.8	Very high	90.3	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-55.3	147.7	163.7	-21.4	31.7	0	0	0	111.8	L254 P255 E264 H345 L346 L347	L254-P343 HydrophobicContact CB-CB 4.36Å; L254-P343 HydrophobicContact CB-CG 4.19Å; P255-P343 HydrophobicContact CG-CB 4.36Å; P255-P343 HydrophobicContact CG-CG 3.78Å; P255-P343 WeakPolarHBondContact O-CB 3.46Å; E264-P343 WeakPolarHBondContact OE2-CA 3.41Å; P343-H345 VanDerWaalsContact C-N 3.33Å; P343-H345 PolarHBondContact O-N 3.23Å; P343-L346 HydrophobicContact CB-CD1 4.37Å; P343-L346 HydrophobicContact CG-CD1 4.03Å; P343-L346 WeakPolarHBondContact O-CA 3.37Å; P343-L346 WeakPolarHBondContact O-CB 3.39Å; P343-L346 PolarHBondContact O-N 3.08Å; P343-L347 PolarHBondContact O-N 2.76Å
344	L	95.8	Very high	91.1	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.005	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-48.4	-49.7	-175.6	174.8	61	0	0	0	113.2	E261 P262 E264 L346 L347 Y350 I371 L380 V422	E261-L344 HydrophobicContact CB-CD2 4.47Å; E261-L344 HydrophobicContact CG-CD2 4.3Å; P262-L344 HydrophobicContact CG-CD2 4.09Å; E264-L344 WeakPolarHBondContact OE2-CB 3.35Å; E264-L344 PolarHBondContact OE2-N 2.97Å; L344-L346 PolarHBondContact O-N 3.37Å; L344-L346 VanDerWaalsContact O-N 3.08Å; L344-L347 HydrophobicContact CD1-CD1 4.03Å; L344-L347 WeakPolarHBondContact O-CB 3.49Å; L344-L347 PolarHBondContact O-N 2.99Å; L344-Y350 HydrophobicContact CD1-CD2 3.6Å; L344-Y350 HydrophobicContact CD1-CE2 4.02Å; L344-Y350 HydrophobicContact CD1-CG 4.08Å; L344-Y350 HydrophobicContact CD2-CD2 4.42Å; L344-Y350 HydrophobicContact CD2-CE2 3.99Å; L344-Y350 HydrophobicContact CG-CD2 3.87Å; L344-Y350 HydrophobicContact CG-CE2 3.9Å; L344-Y350 HydrophobicContact CG-CG 4.21Å; L344-Y350 VanDerWaalsContact O-CB 3.3Å; L344-Y350 WeakPolarHBondContact O-CB 3.36Å; L344-I371 HydrophobicContact CD1-CG2 4.11Å; L344-L380 HydrophobicContact CD1-CD1 4.43Å; L344-L380 HydrophobicContact CD2-CD1 3.95Å; L344-L380 HydrophobicContact CD2-CD2 4.23Å; L344-V422 HydrophobicContact CD1-CB 4.21Å; L344-V422 HydrophobicContact CD1-CG1 4.13Å; L344-V422 HydrophobicContact CD1-CG2 4.26Å
345	H	92.9	Very high	91.9	Very high	41 Å²	41	40.3 Å²	40.3	19%	0.19	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-65.6	-11.5	-178.2	71.1	-81.5	0	0	0	114.5	P255 A257 E261 P343 Y350	P255-H345 PolarHBondContact O-CE1 3.05Å; P255-H345 PolarHBondContact O-ND1 3.22Å; A257-H345 HydrophobicContact CB-CB 3.73Å; E261-H345 WeakPolarHBondContact OE1-CB 3.39Å; E261-H345 IonicContact OE2-CG 3.34Å; E261-H345 IonicContact OE2-ND1 2.68Å; P343-H345 VanDerWaalsContact C-N 3.33Å; P343-H345 PolarHBondContact O-N 3.23Å; H345-Y350 HydrophobicContact CB-CD1 4.46Å; H345-Y350 HydrophobicContact CB-CE1 4.35Å
346	L	92	Very high	92.5	Very high	42 Å²	42	43.1 Å²	43.1	22%	0.22	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-106	2.1	178.2	-58.6	177.3	0	0	0	112.7	G279 C281 P343 L344	G279-L346 WeakPolarHBondContact O-CD1 3.44Å; C281-L346 WeakPolarHBondContact SG-CD1 3.32Å; P343-L346 HydrophobicContact CB-CD1 4.37Å; P343-L346 HydrophobicContact CG-CD1 4.03Å; P343-L346 WeakPolarHBondContact O-CA 3.37Å; P343-L346 WeakPolarHBondContact O-CB 3.39Å; P343-L346 PolarHBondContact O-N 3.08Å; L344-L346 PolarHBondContact O-N 3.37Å; L344-L346 VanDerWaalsContact O-N 3.08Å
347	L	94	Very high	93	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.231	C	C	.	.			trans	-72.3	126.6	172.4	-63.2	178.3	0	0	0	109.6	R342 P343 L344 Y349 Y350 V422 E423 H465	R342-L347 HydrophobicContact CB-CD2 3.73Å; P343-L347 PolarHBondContact O-N 2.76Å; L344-L347 HydrophobicContact CD1-CD1 4.03Å; L344-L347 WeakPolarHBondContact O-CB 3.49Å; L344-L347 PolarHBondContact O-N 2.99Å; L347-Y349 HydrophobicContact CB-CD2 4.36Å; L347-Y349 HydrophobicContact CB-CE1 4.5Å; L347-Y349 HydrophobicContact CB-CE2 4.07Å; L347-Y349 HydrophobicContact CD1-CE2 3.87Å; L347-Y349 HydrophobicContact CG-CE2 4.44Å; L347-Y349 PolarHBondContact O-N 3.43Å; L347-Y350 WeakPolarHBondContact O-CB 3.3Å; L347-Y350 PolarHBondContact O-N 2.94Å; L347-V422 HydrophobicContact CD1-CG1 4.43Å; L347-E423 HydrophobicContact CD1-CB 4.29Å; L347-E423 HydrophobicContact CD2-CB 3.8Å; L347-E423 HydrophobicContact CD2-CG 3.64Å; L347-H465 PolarHBondContact O-NE2 3.11Å; L347-H465 VanDerWaalsContact O-NE2 3.1Å
348	P	91.8	Very high	93.5	Very high	43 Å²	43	41.1 Å²	41.1	28%	0.279	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-24.8	-178	-27.5	34.8	0	0	0	114.5	V461 N462 H465	P348-V461 HydrophobicContact CB-CG1 4.29Å; P348-V461 HydrophobicContact CB-CG2 4.36Å; P348-V461 CarbonylContact O-C 3.56Å; P348-V461 VanDerWaalsContact O-CA 3.28Å; P348-V461 WeakPolarHBondContact O-CA 3.26Å; P348-N462 PolarHBondContact O-N 3.15Å; P348-H465 PolarHBondContact O-CD2 3.08Å
349	Y	95.3	Very high	94	Very high	17 Å²	17	35.3 Å²	35.3	7%	0.067	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101	13.2	-179.5	49.4	-96.3	0	0	0	113.4	L347 H351 F369 I371 I426 P459 I460	L347-Y349 HydrophobicContact CB-CD2 4.36Å; L347-Y349 HydrophobicContact CB-CE1 4.5Å; L347-Y349 HydrophobicContact CB-CE2 4.07Å; L347-Y349 HydrophobicContact CD1-CE2 3.87Å; L347-Y349 HydrophobicContact CG-CE2 4.44Å; L347-Y349 PolarHBondContact O-N 3.43Å; Y349-H351 PolarHBondContact O-CD2 2.85Å; Y349-F369 AromaticContact CD2-CE2 3.88Å; Y349-F369 HydrophobicContact CD2-CE2 3.88Å; Y349-F369 HydrophobicContact CE2-CE2 4.11Å; Y349-F369 HydrophobicContact CG-CE2 4.17Å; Y349-I371 HydrophobicContact CD2-CB 4.5Å; Y349-I371 HydrophobicContact CD2-CD1 3.75Å; Y349-I371 HydrophobicContact CD2-CG1 3.96Å; Y349-I371 HydrophobicContact CE2-CD1 3.5Å; Y349-I371 VanDerWaalsContact CE2-CD1 3.5Å; Y349-I371 HydrophobicContact CE2-CG1 4.22Å; Y349-I371 PolarHBondContact O-N 2.9Å; Y349-I426 HydrophobicContact CE2-CG2 4.27Å; Y349-P459 HydrophobicContact CD1-CB 3.48Å; Y349-P459 VanDerWaalsContact CD1-CB 3.48Å; Y349-P459 HydrophobicContact CD1-CG 4.37Å; Y349-P459 HydrophobicContact CE1-CB 4.32Å; Y349-P459 HydrophobicContact CG-CB 3.83Å; Y349-I460 VanDerWaalsContact CA-O 3.25Å; Y349-I460 WeakPolarHBondContact CA-O 3.32Å; Y349-I460 WeakPolarHBondContact CB-O 3.5Å
350	Y	95.8	Very high	94.5	Very high	11 Å²	11	31.9 Å²	31.9	4%	0.043	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	124.7	169.8	178.8	-111.4	0	0	0	111.2	L344 H345 L347 G352 I371 I373 L380 N462	L344-Y350 HydrophobicContact CD1-CD2 3.6Å; L344-Y350 HydrophobicContact CD1-CE2 4.02Å; L344-Y350 HydrophobicContact CD1-CG 4.08Å; L344-Y350 HydrophobicContact CD2-CD2 4.42Å; L344-Y350 HydrophobicContact CD2-CE2 3.99Å; L344-Y350 HydrophobicContact CG-CD2 3.87Å; L344-Y350 HydrophobicContact CG-CE2 3.9Å; L344-Y350 HydrophobicContact CG-CG 4.21Å; L344-Y350 VanDerWaalsContact O-CB 3.3Å; L344-Y350 WeakPolarHBondContact O-CB 3.36Å; H345-Y350 HydrophobicContact CB-CD1 4.46Å; H345-Y350 HydrophobicContact CB-CE1 4.35Å; L347-Y350 WeakPolarHBondContact O-CB 3.3Å; L347-Y350 PolarHBondContact O-N 2.94Å; Y350-G352 VanDerWaalsContact CZ-CA 3.49Å; Y350-I371 CarbonylContact C-O 3.6Å; Y350-I371 WeakPolarHBondContact CA-O 3.29Å; Y350-I371 HydrophobicContact CD2-CB 4.38Å; Y350-I371 HydrophobicContact CD2-CG2 4.02Å; Y350-I373 HydrophobicContact CE2-CG1 4.36Å; Y350-I373 VanDerWaalsContact OH-CD1 3.23Å; Y350-I373 WeakPolarHBondContact OH-CD1 3.39Å; Y350-L380 HydrophobicContact CE2-CD1 4.26Å; Y350-N462 WeakPolarHBondContact O-CB 3.32Å; Y350-N462 PolarHBondContact O-ND2 2.98Å
351	H	94.9	Very high	94.8	Very high	13 Å²	13	35.9 Å²	35.9	6%	0.06	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	12.8	-170.7	-75.1	-145.9	0	0	0	113	Y349 T354 R362 I371 I460 N462	Y349-H351 PolarHBondContact O-CD2 2.85Å; H351-T354 HydrophobicContact CB-CG2 4.5Å; H351-R362 WeakPolarHBondContact CE1-CD 3.35Å; H351-R362 PolarHBondContact CE1-NH1 3.43Å; H351-R362 VanDerWaalsContact CE1-NH1 3.28Å; H351-R362 WeakPolarHBondContact ND1-CD 3.4Å; H351-R362 PolarHBondContact ND1-NH1 3.16Å; H351-I371 PolarHBondContact N-O 3.31Å; H351-I460 PolarHBondContact NE2-O 2.8Å; H351-N462 WeakPolarHBondContact NE2-CA 3.21Å; H351-N462 PolarHBondContact NE2-N 3.44Å
352	G	94.1	Very high	94.8	Very high	20 Å²	20	39.4 Å²	39.4	21%	0.206	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	66.4	-150.7	-179.1	0	0	0	0	0	112.5	Y350 Y372 I373	Y350-G352 VanDerWaalsContact CZ-CA 3.49Å; G352-Y372 CarbonylContact O-C 3.5Å; G352-Y372 WeakPolarHBondContact O-CA 3.29Å; G352-Y372 WeakPolarHBondContact O-CB 3.49Å; G352-I373 PolarHBondContact O-N 3.22Å
353	V	94.7	Very high	94.8	Very high	79 Å²	79	36.2 Å²	36.2	48%	0.479	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	119.2	172.7	-177.5	0	0	0	0	109.1	F260 I373 A375	F260-V353 HydrophobicContact CD2-CG2 4.49Å; V353-I373 CarbonylContact C-O 3.58Å; V353-I373 VanDerWaalsContact CA-O 3.32Å; V353-I373 WeakPolarHBondContact CA-O 3.48Å; V353-I373 HydrophobicContact CG2-CB 4.07Å; V353-I373 HydrophobicContact CG2-CD1 4.49Å; V353-I373 HydrophobicContact CG2-CG2 4.22Å; V353-A375 HydrophobicContact CG1-CB 3.88Å
354	T	95.1	Very high	94.7	Very high	18 Å²	18	40.4 Å²	40.4	11%	0.11	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	169.5	178.2	-164.8	0	0	0	0	112.7	H351 I358 Y372 I373 A375	H351-T354 HydrophobicContact CB-CG2 4.5Å; T354-I358 WeakPolarHBondContact OG1-CB 3.46Å; T354-I358 WeakPolarHBondContact OG1-CG2 3.38Å; T354-Y372 HydrophobicContact CG2-CD2 3.4Å; T354-Y372 VanDerWaalsContact CG2-CD2 3.4Å; T354-Y372 HydrophobicContact CG2-CE2 4.24Å; T354-Y372 HydrophobicContact CG2-CG 3.75Å; T354-Y372 WeakPolarHBondContact O-CD2 3.48Å; T354-Y372 WeakPolarHBondContact O-CE2 3.47Å; T354-I373 PolarHBondContact N-O 2.96Å; T354-A375 PolarHBondContact O-N 3.09Å
355	S	96.2	Very high	94.4	Very high	41 Å²	41	43.7 Å²	43.7	29%	0.287	26%	0.262	S	S	.	.			trans	-87.9	155.9	175.9	69.1	0	0	0	0	112	A357 I358 A359	S355-A357 PolarHBondContact O-N 3.47Å; S355-I358 PolarHBondContact O-N 3.5Å; S355-I358 WeakPolarHBondContact OG-CG1 3.35Å; S355-I358 PolarHBondContact OG-N 3.37Å; S355-A359 PolarHBondContact O-N 2.8Å
356	E	96.1	Very high	94.2	Very high	89 Å²	89	45.7 Å²	45.7	42%	0.416	28%	0.278	S	S	.	.	H	α-helix	trans	-56.6	-39.1	174.8	-71.6	176.1	-164.1	0	0	112.2	I358 A359 N360 Y372 N374	E356-I358 PolarHBondContact O-N 2.89Å; E356-A359 WeakPolarHBondContact O-CB 3.31Å; E356-A359 PolarHBondContact O-N 2.81Å; E356-N360 WeakPolarHBondContact O-CB 3.43Å; E356-N360 PolarHBondContact O-N 2.81Å; E356-N360 PolarHBondContact O-ND2 2.93Å; E356-N360 PolarHBondContact O-OD1 3.46Å; E356-Y372 VanDerWaalsContact CG-OH 3.3Å; E356-Y372 WeakPolarHBondContact CG-OH 3.33Å; E356-N374 PolarHBondContact OE1-ND2 2.81Å
357	A	96.2	Very high	94	Very high	71 Å²	71	44.2 Å²	44.2	59%	0.587	27%	0.273	S	S	*	.	H	α-helix	trans	-60.8	-43.1	178.5	0	0	0	0	0	112.8	S355 N360 S361	S355-A357 PolarHBondContact O-N 3.47Å; A357-N360 PolarHBondContact O-N 2.81Å; A357-S361 PolarHBondContact O-N 2.91Å; A357-S361 VanDerWaalsContact O-N 3.1Å
358	I	95.7	Very high	94.1	Very high	75 Å²	75	44.7 Å²	44.7	39%	0.385	28%	0.275	S	S	.	.	H	α-helix	trans	-69.7	-41.8	177.9	-65.5	169.5	0	0	0	110	T354 S355 E356 N360 S361	T354-I358 WeakPolarHBondContact OG1-CB 3.46Å; T354-I358 WeakPolarHBondContact OG1-CG2 3.38Å; S355-I358 PolarHBondContact O-N 3.5Å; S355-I358 WeakPolarHBondContact OG-CG1 3.35Å; S355-I358 PolarHBondContact OG-N 3.37Å; E356-I358 PolarHBondContact O-N 2.89Å; I358-N360 VanDerWaalsContact C-N 3.32Å; I358-N360 PolarHBondContact O-N 3.18Å; I358-S361 PolarHBondContact O-N 2.85Å; I358-S361 PolarHBondContact O-OG 2.84Å
359	A	95.9	Very high	94.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-56.6	-47.4	173.8	0	0	0	0	0	111.1	S355 E356 S361 R362 L370 Y372 A383	S355-A359 PolarHBondContact O-N 2.8Å; E356-A359 WeakPolarHBondContact O-CB 3.31Å; E356-A359 PolarHBondContact O-N 2.81Å; A359-S361 PolarHBondContact O-N 2.91Å; A359-R362 PolarHBondContact O-N 2.93Å; A359-R362 VanDerWaalsContact O-N 3.08Å; A359-L370 HydrophobicContact CB-CD1 4.01Å; A359-L370 HydrophobicContact CB-CD2 4.37Å; A359-Y372 HydrophobicContact CB-CD1 4.46Å; A359-Y372 HydrophobicContact CB-CE1 4.26Å; A359-A383 HydrophobicContact CB-CB 4.49Å
360	N	96.5	Very high	94.4	Very high	36 Å²	36	41.9 Å²	41.9	19%	0.193	26%	0.259	C	S	.	.	H	α-helix	trans	-63.3	-39.4	-178.2	-68.5	-9.6	0	0	0	112.8	E356 A357 I358 R362 L363 W394 H396	E356-N360 WeakPolarHBondContact O-CB 3.43Å; E356-N360 PolarHBondContact O-N 2.81Å; E356-N360 PolarHBondContact O-ND2 2.93Å; E356-N360 PolarHBondContact O-OD1 3.46Å; A357-N360 PolarHBondContact O-N 2.81Å; I358-N360 VanDerWaalsContact C-N 3.32Å; I358-N360 PolarHBondContact O-N 3.18Å; N360-R362 PolarHBondContact O-N 2.94Å; N360-R362 VanDerWaalsContact O-N 3.13Å; N360-L363 PolarHBondContact O-N 3.07Å; N360-W394 HydrophobicContact CB-CD2 4.17Å; N360-W394 HydrophobicContact CB-CG 3.88Å; N360-W394 VanDerWaalsContact CG-CD1 3.5Å; N360-W394 VanDerWaalsContact CG-CG 3.42Å; N360-W394 PolarHBondContact O-NE1 2.95Å; N360-W394 VanDerWaalsContact O-NE1 3.16Å; N360-W394 VanDerWaalsContact OD1-CB 3.28Å; N360-W394 WeakPolarHBondContact OD1-CB 3.42Å; N360-W394 VanDerWaalsContact OD1-CD1 3.3Å; N360-H396 PolarHBondContact ND2-NE2 2.78Å; N360-H396 PolarHBondContact OD1-CE1 2.71Å; N360-H396 PolarHBondContact OD1-NE2 3.24Å
361	S	95.3	Very high	94.5	Very high	87 Å²	87	41.3 Å²	41.3	61%	0.608	26%	0.257	S	S	*	.	H	α-helix	trans	-63.3	-16.6	176.6	69.7	0	0	0	0	114.5	A357 I358 A359	A357-S361 PolarHBondContact O-N 2.91Å; A357-S361 VanDerWaalsContact O-N 3.1Å; I358-S361 PolarHBondContact O-N 2.85Å; I358-S361 PolarHBondContact O-OG 2.84Å; A359-S361 PolarHBondContact O-N 2.91Å
362	R	94.1	Very high	94.6	Very high	73 Å²	73	40.7 Å²	40.7	28%	0.275	25%	0.254	S	S	.	.	H	α-helix	trans	-95.4	-12.8	-179.8	-65.3	-177.9	-175.5	-164.5	-2.9	113.1	H351 A359 N360 L370 I460 N462 P463	H351-R362 WeakPolarHBondContact CE1-CD 3.35Å; H351-R362 PolarHBondContact CE1-NH1 3.43Å; H351-R362 VanDerWaalsContact CE1-NH1 3.28Å; H351-R362 WeakPolarHBondContact ND1-CD 3.4Å; H351-R362 PolarHBondContact ND1-NH1 3.16Å; A359-R362 PolarHBondContact O-N 2.93Å; A359-R362 VanDerWaalsContact O-N 3.08Å; N360-R362 PolarHBondContact O-N 2.94Å; N360-R362 VanDerWaalsContact O-N 3.13Å; R362-L370 HydrophobicContact CB-CD2 4.04Å; R362-I460 HydrophobicContact CB-CG2 4.36Å; R362-N462 PolarHBondContact NH1-OD1 2.78Å; R362-P463 VanDerWaalsContact NH1-CD 3.34Å
363	L	94.6	Very high	94.7	Very high	4 Å²	4	39.9 Å²	39.9	2%	0.021	25%	0.245	C	C	.	.			trans	-101.8	114.4	-177.4	-59.3	168.6	0	0	0	109.3	N360 D368 L370 A383 Y385 I460	N360-L363 PolarHBondContact O-N 3.07Å; L363-D368 HydrophobicContact CB-CB 4.47Å; L363-D368 HydrophobicContact CD2-CB 3.85Å; L363-L370 HydrophobicContact CD1-CD2 4.38Å; L363-L370 HydrophobicContact CD2-CD2 3.83Å; L363-L370 HydrophobicContact CD2-CG 4.07Å; L363-L370 HydrophobicContact CG-CD2 3.92Å; L363-L370 HydrophobicContact CG-CG 4.44Å; L363-A383 HydrophobicContact CD1-CB 3.82Å; L363-Y385 HydrophobicContact CB-CG 4.45Å; L363-I460 HydrophobicContact CD2-CG1 3.92Å
364	C	90.8	Very high	94.8	Very high	87 Å²	87	36.3 Å²	36.3	59%	0.588	22%	0.223	S	C	*	.			trans	-122	-31.6	-167	-65.9	0	0	0	0	113.6	D368 Y385	C364-D368 PolarHBondContact N-OD2 2.88Å; C364-Y385 VanDerWaalsContact O-CE1 3.3Å; C364-Y385 WeakPolarHBondContact O-CE1 3.38Å
365	C	90.5	Very high	94.8	Very high	71 Å²	71	38 Å²	38	48%	0.48	24%	0.239	S	C	.	.	S	Bend	trans	-117.8	142.2	-173.5	-68.3	0	0	0	0	111.1	G367 D368 Y385	C365-G367 PolarHBondContact O-N 3.05Å; C365-D368 WeakPolarHBondContact CB-OD2 3.41Å; C365-D368 PolarHBondContact N-OD2 3.31Å; C365-D368 WeakPolarHBondContact O-CB 3.39Å; C365-D368 PolarHBondContact O-N 3.32Å; C365-Y385 VanDerWaalsContact O-CD1 3.3Å; C365-Y385 WeakPolarHBondContact O-CD1 3.1Å
366	P	88.6	Confident	94.7	Very high	83 Å²	83	41.1 Å²	41.1	54%	0.539	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	129.4	179.4	-25.9	36	0	0	0	112	D368 Y385 Q387	P366-D368 VanDerWaalsContact C-N 3.34Å; P366-Y385 WeakPolarHBondContact CA-O 3.39Å; P366-Y385 HydrophobicContact CG-CE1 4.08Å; P366-Q387 HydrophobicContact CG-CB 3.98Å
367	G	88.7	Confident	94.7	Very high	10 Å²	10	40.2 Å²	40.2	10%	0.103	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	89	-3.5	-176	0	0	0	0	0	114.4	C365 Y385 V457 T458	C365-G367 PolarHBondContact O-N 3.05Å; G367-Y385 PolarHBondContact N-O 2.96Å; G367-Y385 VanDerWaalsContact N-O 3.08Å; G367-V457 PolarHBondContact O-N 2.89Å; G367-T458 PolarHBondContact O-N 2.84Å
368	D	94.1	Very high	94.5	Very high	11 Å²	11	43 Å²	43	6%	0.059	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	138.2	164.6	-73.2	-5.9	0	0	0	109.7	L363 C364 C365 P366 S384 Y385 T458 I460	L363-D368 HydrophobicContact CB-CB 4.47Å; L363-D368 HydrophobicContact CD2-CB 3.85Å; C364-D368 PolarHBondContact N-OD2 2.88Å; C365-D368 WeakPolarHBondContact CB-OD2 3.41Å; C365-D368 PolarHBondContact N-OD2 3.31Å; C365-D368 WeakPolarHBondContact O-CB 3.39Å; C365-D368 PolarHBondContact O-N 3.32Å; P366-D368 VanDerWaalsContact C-N 3.34Å; D368-S384 VanDerWaalsContact O-CA 3.28Å; D368-S384 WeakPolarHBondContact O-CA 3.33Å; D368-Y385 PolarHBondContact O-N 2.89Å; D368-Y385 VanDerWaalsContact O-N 3.1Å; D368-T458 CarbonylContact C-O 3.57Å; D368-T458 VanDerWaalsContact CA-O 3.32Å; D368-T458 WeakPolarHBondContact CA-O 3.44Å; D368-I460 HydrophobicContact CB-CD1 3.97Å; D368-I460 HydrophobicContact CB-CG1 3.9Å
369	F	96.2	Very high	94.5	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	158.5	174.2	78.9	-82.8	0	0	0	112.7	Y349 V382 A383 I426 I456 T458 P459 I460	Y349-F369 AromaticContact CD2-CE2 3.88Å; Y349-F369 HydrophobicContact CD2-CE2 3.88Å; Y349-F369 HydrophobicContact CE2-CE2 4.11Å; Y349-F369 HydrophobicContact CG-CE2 4.17Å; F369-V382 HydrophobicContact CB-CG2 4.5Å; F369-V382 HydrophobicContact CD2-CG2 4.25Å; F369-A383 CarbonylContact C-O 3.57Å; F369-A383 WeakPolarHBondContact CA-O 3.36Å; F369-A383 VanDerWaalsContact CB-O 3.31Å; F369-A383 WeakPolarHBondContact CB-O 3.39Å; F369-I426 HydrophobicContact CE2-CG2 3.73Å; F369-I426 HydrophobicContact CZ-CG2 3.83Å; F369-I456 HydrophobicContact CB-CB 3.97Å; F369-I456 HydrophobicContact CB-CG2 3.62Å; F369-I456 HydrophobicContact CD1-CB 3.66Å; F369-I456 HydrophobicContact CD1-CG2 4.31Å; F369-I456 HydrophobicContact CD2-CB 4.43Å; F369-I456 HydrophobicContact CD2-CD1 4.35Å; F369-I456 HydrophobicContact CE1-CB 4.21Å; F369-I456 HydrophobicContact CE2-CD1 4.38Å; F369-I456 HydrophobicContact CG-CB 3.77Å; F369-I456 HydrophobicContact CG-CG2 3.93Å; F369-T458 VanDerWaalsContact CD1-C 3.49Å; F369-T458 VanDerWaalsContact CD1-O 3.28Å; F369-T458 WeakPolarHBondContact CD1-O 3.48Å; F369-T458 PolarHBondContact N-O 2.78Å; F369-P459 VanDerWaalsContact CE1-CA 3.44Å; F369-P459 HydrophobicContact CE1-CB 3.74Å; F369-P459 HydrophobicContact CE1-CG 4.28Å; F369-P459 VanDerWaalsContact CE1-N 3.27Å; F369-P459 HydrophobicContact CE2-CB 4.33Å; F369-P459 HydrophobicContact CZ-CB 3.64Å; F369-P459 HydrophobicContact CZ-CG 4.39Å; F369-I460 PolarHBondContact O-N 3.1Å
370	L	97.3	Very high	94.6	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	164.4	171.8	61.7	85.2	0	0	0	110.1	A359 R362 L363 Y372 V382 A383 I460	A359-L370 HydrophobicContact CB-CD1 4.01Å; A359-L370 HydrophobicContact CB-CD2 4.37Å; R362-L370 HydrophobicContact CB-CD2 4.04Å; L363-L370 HydrophobicContact CD1-CD2 4.38Å; L363-L370 HydrophobicContact CD2-CD2 3.83Å; L363-L370 HydrophobicContact CD2-CG 4.07Å; L363-L370 HydrophobicContact CG-CD2 3.92Å; L363-L370 HydrophobicContact CG-CG 4.44Å; L370-Y372 HydrophobicContact CD1-CD1 3.61Å; L370-Y372 HydrophobicContact CD1-CE1 4.36Å; L370-Y372 HydrophobicContact CD1-CG 4.23Å; L370-V382 WeakPolarHBondContact O-CA 3.13Å; L370-A383 HydrophobicContact CD1-CB 3.97Å; L370-A383 HydrophobicContact CG-CB 4.18Å; L370-A383 PolarHBondContact N-O 3.16Å; L370-A383 PolarHBondContact O-N 3.03Å; L370-I460 HydrophobicContact CB-CB 4.47Å
371	I	97.6	Very high	94.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	139.5	176.7	-59.2	179.1	0	0	0	109.2	L344 Y349 Y350 H351 L380 C381 I399 V422 I426	L344-I371 HydrophobicContact CD1-CG2 4.11Å; Y349-I371 HydrophobicContact CD2-CB 4.5Å; Y349-I371 HydrophobicContact CD2-CD1 3.75Å; Y349-I371 HydrophobicContact CD2-CG1 3.96Å; Y349-I371 HydrophobicContact CE2-CD1 3.5Å; Y349-I371 VanDerWaalsContact CE2-CD1 3.5Å; Y349-I371 HydrophobicContact CE2-CG1 4.22Å; Y349-I371 PolarHBondContact O-N 2.9Å; Y350-I371 CarbonylContact C-O 3.6Å; Y350-I371 WeakPolarHBondContact CA-O 3.29Å; Y350-I371 HydrophobicContact CD2-CB 4.38Å; Y350-I371 HydrophobicContact CD2-CG2 4.02Å; H351-I371 PolarHBondContact N-O 3.31Å; I371-L380 HydrophobicContact CG2-CD1 3.56Å; I371-L380 HydrophobicContact CG2-CG 4.26Å; I371-C381 WeakPolarHBondContact CA-O 3.31Å; I371-I399 HydrophobicContact CD1-CD1 4.45Å; I371-I399 HydrophobicContact CG2-CD1 4.43Å; I371-V422 HydrophobicContact CD1-CG1 3.66Å; I371-I426 HydrophobicContact CD1-CD1 3.6Å; I371-I426 HydrophobicContact CD1-CG1 3.58Å; I371-I426 HydrophobicContact CG1-CD1 4.32Å
372	Y	97.2	Very high	94.6	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	163.2	178.8	72.1	-67.6	0	0	0	111	G352 T354 E356 A359 L370 N374 C381 A383 H396	G352-Y372 CarbonylContact O-C 3.5Å; G352-Y372 WeakPolarHBondContact O-CA 3.29Å; G352-Y372 WeakPolarHBondContact O-CB 3.49Å; T354-Y372 HydrophobicContact CG2-CD2 3.4Å; T354-Y372 VanDerWaalsContact CG2-CD2 3.4Å; T354-Y372 HydrophobicContact CG2-CE2 4.24Å; T354-Y372 HydrophobicContact CG2-CG 3.75Å; T354-Y372 WeakPolarHBondContact O-CD2 3.48Å; T354-Y372 WeakPolarHBondContact O-CE2 3.47Å; E356-Y372 VanDerWaalsContact CG-OH 3.3Å; E356-Y372 WeakPolarHBondContact CG-OH 3.33Å; A359-Y372 HydrophobicContact CB-CD1 4.46Å; A359-Y372 HydrophobicContact CB-CE1 4.26Å; L370-Y372 HydrophobicContact CD1-CD1 3.61Å; L370-Y372 HydrophobicContact CD1-CE1 4.36Å; L370-Y372 HydrophobicContact CD1-CG 4.23Å; Y372-N374 HydrophobicContact CE2-CB 3.86Å; Y372-C381 HydrophobicContact CD1-CB 4.13Å; Y372-C381 HydrophobicContact CE1-CB 3.57Å; Y372-C381 PolarHBondContact N-O 3.05Å; Y372-C381 PolarHBondContact O-N 2.79Å; Y372-A383 HydrophobicContact CD1-CB 4.37Å; Y372-A383 HydrophobicContact CE1-CB 3.86Å; Y372-H396 AromaticContact CE1-ND1 3.86Å; Y372-H396 AromaticContact CZ-ND1 3.69Å; Y372-H396 PolarHBondContact OH-ND1 2.82Å
373	I	97.1	Very high	94.7	Very high	2 Å²	2	35 Å²	35	1%	0.01	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	123.3	166.3	-62.7	171.9	0	0	0	107.3	F260 E261 Y350 G352 V353 T354 A375 K379 L380	F260-I373 HydrophobicContact CB-CD1 3.83Å; F260-I373 WeakPolarHBondContact O-CD1 3.22Å; E261-I373 HydrophobicContact CG-CD1 4.21Å; Y350-I373 HydrophobicContact CE2-CG1 4.36Å; Y350-I373 VanDerWaalsContact OH-CD1 3.23Å; Y350-I373 WeakPolarHBondContact OH-CD1 3.39Å; G352-I373 PolarHBondContact O-N 3.22Å; V353-I373 CarbonylContact C-O 3.58Å; V353-I373 VanDerWaalsContact CA-O 3.32Å; V353-I373 WeakPolarHBondContact CA-O 3.48Å; V353-I373 HydrophobicContact CG2-CB 4.07Å; V353-I373 HydrophobicContact CG2-CD1 4.49Å; V353-I373 HydrophobicContact CG2-CG2 4.22Å; T354-I373 PolarHBondContact N-O 2.96Å; I373-A375 PolarHBondContact O-N 3.42Å; I373-K379 WeakPolarHBondContact CA-O 3.34Å; I373-L380 HydrophobicContact CG1-CD1 4.05Å
374	N	96.7	Very high	94.7	Very high	4 Å²	4	35 Å²	35	2%	0.021	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	118.2	-180	-176.2	-46	0	0	0	110.2	E356 Y372 S376 T377 E378 K379	E356-N374 PolarHBondContact OE1-ND2 2.81Å; Y372-N374 HydrophobicContact CE2-CB 3.86Å; N374-S376 PolarHBondContact O-N 3.15Å; N374-S376 VanDerWaalsContact O-N 3.1Å; N374-S376 WeakPolarHBondContact OD1-CB 3.12Å; N374-S376 PolarHBondContact OD1-N 3.27Å; N374-T377 VanDerWaalsContact CB-OG1 3.32Å; N374-T377 WeakPolarHBondContact CB-OG1 3.28Å; N374-T377 PolarHBondContact O-N 3.31Å; N374-T377 PolarHBondContact OD1-N 3.48Å; N374-E378 VanDerWaalsContact O-CA 3.26Å; N374-E378 WeakPolarHBondContact O-CA 3.41Å; N374-E378 PolarHBondContact O-N 3.48Å; N374-K379 PolarHBondContact N-O 3.08Å
375	A	94.9	Very high	94.7	Very high	53 Å²	53	31.2 Å²	31.2	44%	0.438	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-24.2	-176.4	0	0	0	0	0	114.2	V353 T354 I373	V353-A375 HydrophobicContact CG1-CB 3.88Å; T354-A375 PolarHBondContact O-N 3.09Å; I373-A375 PolarHBondContact O-N 3.42Å
376	S	94.9	Very high	94.5	Very high	108 Å²	108	28.8 Å²	28.8	76%	0.755	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-32	-179.2	-55.8	0	0	0	0	113.2	N374	N374-S376 PolarHBondContact O-N 3.15Å; N374-S376 VanDerWaalsContact O-N 3.1Å; N374-S376 WeakPolarHBondContact OD1-CB 3.12Å; N374-S376 PolarHBondContact OD1-N 3.27Å
377	T	94.5	Very high	94.2	Very high	69 Å²	69	29.9 Å²	29.9	42%	0.423	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.2	-10	-175.1	65.7	0	0	0	0	113.7	N374 K379	N374-T377 VanDerWaalsContact CB-OG1 3.32Å; N374-T377 WeakPolarHBondContact CB-OG1 3.28Å; N374-T377 PolarHBondContact O-N 3.31Å; N374-T377 PolarHBondContact OD1-N 3.48Å; T377-K379 PolarHBondContact O-N 3.01Å; T377-K379 VanDerWaalsContact O-N 3.09Å
378	E	93.7	Very high	93.7	Very high	131 Å²	131	30.2 Å²	30.2	61%	0.612	17%	0.167	S	C	*	.			trans	56.1	19.1	-174.6	-59	179.2	177.1	0	0	113.7	N374	N374-E378 VanDerWaalsContact O-CA 3.26Å; N374-E378 WeakPolarHBondContact O-CA 3.41Å; N374-E378 PolarHBondContact O-N 3.48Å
379	K	95.1	Very high	92.9	Very high	87 Å²	87	36.1 Å²	36.1	38%	0.378	19%	0.192	S	C	.	.			trans	-94.2	141.8	178.9	-69.5	177.3	-177	175.2	0	111	I373 N374 T377 C381 W400	I373-K379 WeakPolarHBondContact CA-O 3.34Å; N374-K379 PolarHBondContact N-O 3.08Å; T377-K379 PolarHBondContact O-N 3.01Å; T377-K379 VanDerWaalsContact O-N 3.09Å; K379-C381 PolarHBondContact O-SG 2.92Å; K379-W400 HydrophobicContact CD-CH2 4.13Å; K379-W400 HydrophobicContact CD-CZ3 4.44Å
380	L	97.1	Very high	92.1	Very high	14 Å²	14	40.5 Å²	40.5	7%	0.073	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	128.6	167.9	-175	66.8	0	0	0	109.2	P262 L344 Y350 I371 I373 N398 I399 V422	P262-L380 HydrophobicContact CG-CD2 4.08Å; L344-L380 HydrophobicContact CD1-CD1 4.43Å; L344-L380 HydrophobicContact CD2-CD1 3.95Å; L344-L380 HydrophobicContact CD2-CD2 4.23Å; Y350-L380 HydrophobicContact CE2-CD1 4.26Å; I371-L380 HydrophobicContact CG2-CD1 3.56Å; I371-L380 HydrophobicContact CG2-CG 4.26Å; I373-L380 HydrophobicContact CG1-CD1 4.05Å; L380-N398 CarbonylContact O-C 3.57Å; L380-N398 WeakPolarHBondContact O-CA 3.35Å; L380-I399 HydrophobicContact CB-CB 4.37Å; L380-I399 HydrophobicContact CD2-CB 3.85Å; L380-I399 HydrophobicContact CD2-CD1 4.09Å; L380-I399 HydrophobicContact CD2-CG2 3.92Å; L380-I399 HydrophobicContact CG-CB 4.02Å; L380-I399 HydrophobicContact CG-CD1 4.19Å; L380-I399 HydrophobicContact CG-CG1 4.49Å; L380-I399 PolarHBondContact O-N 2.92Å; L380-V422 HydrophobicContact CD2-CG2 3.68Å
381	C	96.8	Very high	91.4	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.007	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	142.9	-177.3	-59.2	0	0	0	0	110.7	I371 Y372 K379 T397 N398	I371-C381 WeakPolarHBondContact CA-O 3.31Å; Y372-C381 HydrophobicContact CD1-CB 4.13Å; Y372-C381 HydrophobicContact CE1-CB 3.57Å; Y372-C381 PolarHBondContact N-O 3.05Å; Y372-C381 PolarHBondContact O-N 2.79Å; K379-C381 PolarHBondContact O-SG 2.92Å; C381-T397 CarbonylContact C-O 3.58Å; C381-T397 VanDerWaalsContact CA-O 3.29Å; C381-T397 WeakPolarHBondContact CA-O 3.13Å; C381-N398 PolarHBondContact SG-OD1 3.36Å
382	V	96.9	Very high	90.9	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	121	157.7	55.9	0	0	0	0	108.2	F369 L370 T397 I399 I410 I426 L436 I456	F369-V382 HydrophobicContact CB-CG2 4.5Å; F369-V382 HydrophobicContact CD2-CG2 4.25Å; L370-V382 WeakPolarHBondContact O-CA 3.13Å; V382-T397 WeakPolarHBondContact CG1-O 3.47Å; V382-T397 PolarHBondContact N-O 2.88Å; V382-T397 PolarHBondContact O-N 2.85Å; V382-I399 HydrophobicContact CB-CD1 4.27Å; V382-I399 HydrophobicContact CG1-CG1 4.34Å; V382-I410 HydrophobicContact CG1-CD1 3.97Å; V382-I410 HydrophobicContact CG1-CG1 4.44Å; V382-I426 HydrophobicContact CG2-CD1 4.34Å; V382-L436 HydrophobicContact CG1-CD1 3.91Å; V382-L436 HydrophobicContact CG1-CD2 3.8Å; V382-L436 HydrophobicContact CG1-CG 4.5Å; V382-L436 HydrophobicContact CG2-CD1 4.05Å; V382-I456 HydrophobicContact CG2-CG2 4.43Å
383	A	95.9	Very high	90.4	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	138.7	171.8	0	0	0	0	0	110.2	A359 L363 F369 L370 Y372 W395	A359-A383 HydrophobicContact CB-CB 4.49Å; L363-A383 HydrophobicContact CD1-CB 3.82Å; F369-A383 CarbonylContact C-O 3.57Å; F369-A383 WeakPolarHBondContact CA-O 3.36Å; F369-A383 VanDerWaalsContact CB-O 3.31Å; F369-A383 WeakPolarHBondContact CB-O 3.39Å; L370-A383 HydrophobicContact CD1-CB 3.97Å; L370-A383 HydrophobicContact CG-CB 4.18Å; L370-A383 PolarHBondContact N-O 3.16Å; L370-A383 PolarHBondContact O-N 3.03Å; Y372-A383 HydrophobicContact CD1-CB 4.37Å; Y372-A383 HydrophobicContact CE1-CB 3.86Å; A383-W395 CarbonylContact C-O 3.6Å; A383-W395 WeakPolarHBondContact CA-O 3.41Å
384	S	94.1	Very high	90.1	Very high	4 Å²	4	58 Å²	58	3%	0.028	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	151.4	173.2	69.1	0	0	0	0	111.9	D368 W394 W395	D368-S384 VanDerWaalsContact O-CA 3.28Å; D368-S384 WeakPolarHBondContact O-CA 3.33Å; S384-W394 WeakPolarHBondContact O-CA 3.29Å; S384-W395 PolarHBondContact N-O 3.46Å; S384-W395 PolarHBondContact O-N 3.17Å
385	Y	90.9	Very high	89.8	Confident	7 Å²	7	60 Å²	60	3%	0.027	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	139.4	174.6	168.2	-91.2	0	0	0	111.9	L363 C364 C365 P366 G367 D368 Q387 Q392 W394	L363-Y385 HydrophobicContact CB-CG 4.45Å; C364-Y385 VanDerWaalsContact O-CE1 3.3Å; C364-Y385 WeakPolarHBondContact O-CE1 3.38Å; C365-Y385 VanDerWaalsContact O-CD1 3.3Å; C365-Y385 WeakPolarHBondContact O-CD1 3.1Å; P366-Y385 WeakPolarHBondContact CA-O 3.39Å; P366-Y385 HydrophobicContact CG-CE1 4.08Å; G367-Y385 PolarHBondContact N-O 2.96Å; G367-Y385 VanDerWaalsContact N-O 3.08Å; D368-Y385 PolarHBondContact O-N 2.89Å; D368-Y385 VanDerWaalsContact O-N 3.1Å; Y385-Q387 HydrophobicContact CE1-CB 4.47Å; Y385-Q392 HydrophobicContact CE2-CB 3.88Å; Y385-Q392 HydrophobicContact CE2-CG 3.95Å; Y385-Q392 PolarHBondContact OH-NE2 2.89Å; Y385-W394 AromaticContact CD2-CD1 3.99Å; Y385-W394 HydrophobicContact CD2-CD2 4.34Å; Y385-W394 AromaticContact CD2-CE2 3.77Å; Y385-W394 HydrophobicContact CD2-CG 4.47Å; Y385-W394 HydrophobicContact CD2-CZ2 4.17Å; Y385-W394 AromaticContact CD2-NE1 3.55Å; Y385-W394 HydrophobicContact CE2-CZ2 4.12Å
386	E	85.3	Confident	89.8	Confident	21 Å²	21	59.6 Å²	59.6	10%	0.098	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	149.5	176.5	-69.5	179.4	-164.6	0	0	111.2	V393 W395 F454	E386-V393 PolarHBondContact N-O 2.73Å; E386-V393 PolarHBondContact O-N 3.46Å; E386-W395 VanDerWaalsContact OE1-CD1 3.32Å; E386-W395 PolarHBondContact OE1-NE1 3.03Å; E386-W395 PolarHBondContact OE2-NE1 2.94Å; E386-F454 VanDerWaalsContact CD-CB 3.47Å; E386-F454 HydrophobicContact CG-CB 4.29Å; E386-F454 HydrophobicContact CG-CD1 4.39Å; E386-F454 WeakPolarHBondContact OE1-CB 3.23Å
387	Q	83.8	Confident	89.7	Confident	106 Å²	106	55 Å²	55	50%	0.495	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	112.8	170.8	-173.5	173.6	-0	0	0	109.2	P366 Y385 F391	P366-Q387 HydrophobicContact CG-CB 3.98Å; Y385-Q387 HydrophobicContact CE1-CB 4.47Å; Q387-F391 WeakPolarHBondContact CA-O 3.42Å
388	I	77.6	Confident	89.8	Confident	16 Å²	16	53.8 Å²	53.8	8%	0.082	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	105.3	178.9	-51.5	-179.5	0	0	0	108.1	A390 F391 V393 L445	I388-A390 PolarHBondContact O-N 2.87Å; I388-F391 PolarHBondContact N-O 2.88Å; I388-F391 PolarHBondContact O-N 2.75Å; I388-V393 HydrophobicContact CD1-CG2 4.14Å; I388-V393 HydrophobicContact CG1-CG2 4.39Å; I388-L445 HydrophobicContact CD1-CD1 3.52Å; I388-L445 HydrophobicContact CG2-CD1 4.13Å
389	K	76.7	Confident	89.9	Confident	136 Å²	136	48 Å²	48	59%	0.591	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.4	-111.5	-173.7	-58.6	169.6	179.5	164	0	110	L445	K389-L445 PolarHBondContact NZ-O 3.24Å
390	A	80.1	Confident	90	Very high	91 Å²	91	49 Å²	49	75%	0.752	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.8	-2.2	178.1	0	0	0	0	0	113.4	I388	I388-A390 PolarHBondContact O-N 2.87Å
391	F	82	Confident	89.8	Confident	135 Å²	135	50.6 Å²	50.6	59%	0.592	25%	0.248	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-97	134.3	-175.9	-60	-76.8	0	0	0	111	Q387 I388 V393	Q387-F391 WeakPolarHBondContact CA-O 3.42Å; I388-F391 PolarHBondContact N-O 2.88Å; I388-F391 PolarHBondContact O-N 2.75Å; F391-V393 HydrophobicContact CB-CG2 4.39Å
392	Q	86.9	Confident	89.4	Confident	116 Å²	116	51.3 Å²	51.3	54%	0.542	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	126.5	166.5	-67.1	-175	-38.1	0	0	107.9	Y385 W394	Y385-Q392 HydrophobicContact CE2-CB 3.88Å; Y385-Q392 HydrophobicContact CE2-CG 3.95Å; Y385-Q392 PolarHBondContact OH-NE2 2.89Å; Q392-W394 HydrophobicContact CB-CH2 3.49Å; Q392-W394 VanDerWaalsContact CB-CH2 3.49Å; Q392-W394 HydrophobicContact CB-CZ2 4.16Å; Q392-W394 HydrophobicContact CB-CZ3 3.7Å; Q392-W394 HydrophobicContact CG-CH2 4.41Å
393	V	88	Confident	88.9	Confident	35 Å²	35	58.6 Å²	58.6	21%	0.212	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	129.4	-178.7	-172	0	0	0	0	108.6	E386 I388 F391 W395	E386-V393 PolarHBondContact N-O 2.73Å; E386-V393 PolarHBondContact O-N 3.46Å; I388-V393 HydrophobicContact CD1-CG2 4.14Å; I388-V393 HydrophobicContact CG1-CG2 4.39Å; F391-V393 HydrophobicContact CB-CG2 4.39Å; V393-W395 HydrophobicContact CB-CZ2 4.46Å; V393-W395 HydrophobicContact CG1-CD2 4.06Å; V393-W395 HydrophobicContact CG1-CE3 4.49Å; V393-W395 HydrophobicContact CG1-CH2 3.9Å; V393-W395 HydrophobicContact CG1-CZ2 3.47Å; V393-W395 VanDerWaalsContact CG1-CZ2 3.47Å; V393-W395 HydrophobicContact CG1-CZ3 4.41Å
394	W	91.3	Very high	88.4	Confident	84 Å²	84	67.5 Å²	67.5	32%	0.318	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	123.7	172.8	-62.8	-95.2	0	0	0	108.3	N360 S384 Y385 Q392	N360-W394 HydrophobicContact CB-CD2 4.17Å; N360-W394 HydrophobicContact CB-CG 3.88Å; N360-W394 VanDerWaalsContact CG-CD1 3.5Å; N360-W394 VanDerWaalsContact CG-CG 3.42Å; N360-W394 PolarHBondContact O-NE1 2.95Å; N360-W394 VanDerWaalsContact O-NE1 3.16Å; N360-W394 VanDerWaalsContact OD1-CB 3.28Å; N360-W394 WeakPolarHBondContact OD1-CB 3.42Å; N360-W394 VanDerWaalsContact OD1-CD1 3.3Å; S384-W394 WeakPolarHBondContact O-CA 3.29Å; Y385-W394 AromaticContact CD2-CD1 3.99Å; Y385-W394 HydrophobicContact CD2-CD2 4.34Å; Y385-W394 AromaticContact CD2-CE2 3.77Å; Y385-W394 HydrophobicContact CD2-CG 4.47Å; Y385-W394 HydrophobicContact CD2-CZ2 4.17Å; Y385-W394 AromaticContact CD2-NE1 3.55Å; Y385-W394 HydrophobicContact CE2-CZ2 4.12Å; Q392-W394 HydrophobicContact CB-CH2 3.49Å; Q392-W394 VanDerWaalsContact CB-CH2 3.49Å; Q392-W394 HydrophobicContact CB-CZ2 4.16Å; Q392-W394 HydrophobicContact CB-CZ3 3.7Å; Q392-W394 HydrophobicContact CG-CH2 4.41Å
395	W	90.3	Very high	87.9	Confident	46 Å²	46	70 Å²	70	17%	0.174	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	134.8	176.6	-60.3	109.1	0	0	0	109	A383 S384 E386 V393 Q437 I441	A383-W395 CarbonylContact C-O 3.6Å; A383-W395 WeakPolarHBondContact CA-O 3.41Å; S384-W395 PolarHBondContact N-O 3.46Å; S384-W395 PolarHBondContact O-N 3.17Å; E386-W395 VanDerWaalsContact OE1-CD1 3.32Å; E386-W395 PolarHBondContact OE1-NE1 3.03Å; E386-W395 PolarHBondContact OE2-NE1 2.94Å; V393-W395 HydrophobicContact CB-CZ2 4.46Å; V393-W395 HydrophobicContact CG1-CD2 4.06Å; V393-W395 HydrophobicContact CG1-CE3 4.49Å; V393-W395 HydrophobicContact CG1-CH2 3.9Å; V393-W395 HydrophobicContact CG1-CZ2 3.47Å; V393-W395 VanDerWaalsContact CG1-CZ2 3.47Å; V393-W395 HydrophobicContact CG1-CZ3 4.41Å; W395-Q437 HydrophobicContact CE3-CG 4.28Å; W395-I441 HydrophobicContact CE3-CD1 4.48Å; W395-I441 HydrophobicContact CH2-CD1 3.41Å; W395-I441 VanDerWaalsContact CH2-CD1 3.41Å; W395-I441 HydrophobicContact CH2-CG1 4.5Å; W395-I441 HydrophobicContact CH2-CG2 3.74Å; W395-I441 HydrophobicContact CZ2-CD1 4.38Å; W395-I441 HydrophobicContact CZ2-CG2 4.2Å; W395-I441 HydrophobicContact CZ3-CD1 3.44Å; W395-I441 VanDerWaalsContact CZ3-CD1 3.44Å
396	H	93.8	Very high	87.7	Confident	45 Å²	45	70.5 Å²	70.5	21%	0.208	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	102.4	171.7	-59.1	-93.7	0	0	0	107.5	N360 Y372	N360-H396 PolarHBondContact ND2-NE2 2.78Å; N360-H396 PolarHBondContact OD1-CE1 2.71Å; N360-H396 PolarHBondContact OD1-NE2 3.24Å; Y372-H396 AromaticContact CE1-ND1 3.86Å; Y372-H396 AromaticContact CZ-ND1 3.69Å; Y372-H396 PolarHBondContact OH-ND1 2.82Å
397	T	94.1	Very high	88	Confident	11 Å²	11	72.2 Å²	72.2	7%	0.067	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	128.6	-175.3	-53.2	0	0	0	0	109.4	C381 V382 I410 Q437	C381-T397 CarbonylContact C-O 3.58Å; C381-T397 VanDerWaalsContact CA-O 3.29Å; C381-T397 WeakPolarHBondContact CA-O 3.13Å; V382-T397 WeakPolarHBondContact CG1-O 3.47Å; V382-T397 PolarHBondContact N-O 2.88Å; V382-T397 PolarHBondContact O-N 2.85Å; T397-I410 HydrophobicContact CG2-CG2 3.52Å; T397-Q437 PolarHBondContact OG1-NE2 3.23Å
398	N	95.7	Very high	88.5	Confident	44 Å²	44	67.2 Å²	67.2	24%	0.235	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	141.7	-178.9	-63.7	-22.9	0	0	0	111.2	L380 C381 W400	L380-N398 CarbonylContact O-C 3.57Å; L380-N398 WeakPolarHBondContact O-CA 3.35Å; C381-N398 PolarHBondContact SG-OD1 3.36Å; N398-W400 HydrophobicContact CB-CD2 4.47Å; N398-W400 HydrophobicContact CB-CZ2 3.91Å
399	I	96.5	Very high	89.4	Confident	10 Å²	10	68.3 Å²	68.3	5%	0.051	35%	0.347	C	S	.	.			trans	-101.1	125.3	165.7	-57.6	177.4	0	0	0	106.8	I371 L380 V382 F408 I410 V422 L425	I371-I399 HydrophobicContact CD1-CD1 4.45Å; I371-I399 HydrophobicContact CG2-CD1 4.43Å; L380-I399 HydrophobicContact CB-CB 4.37Å; L380-I399 HydrophobicContact CD2-CB 3.85Å; L380-I399 HydrophobicContact CD2-CD1 4.09Å; L380-I399 HydrophobicContact CD2-CG2 3.92Å; L380-I399 HydrophobicContact CG-CB 4.02Å; L380-I399 HydrophobicContact CG-CD1 4.19Å; L380-I399 HydrophobicContact CG-CG1 4.49Å; L380-I399 PolarHBondContact O-N 2.92Å; V382-I399 HydrophobicContact CB-CD1 4.27Å; V382-I399 HydrophobicContact CG1-CG1 4.34Å; I399-F408 HydrophobicContact CG2-CD1 4.05Å; I399-I410 HydrophobicContact CG1-CD1 4.37Å; I399-I410 HydrophobicContact CG1-CG1 3.93Å; I399-V422 HydrophobicContact CD1-CG1 3.98Å; I399-L425 HydrophobicContact CG2-CD2 3.72Å
400	W	95.4	Very high	90.2	Very high	108 Å²	108	62.5 Å²	62.5	41%	0.409	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	153.7	-178.7	-58.8	101.1	0	0	0	110.4	K379 N398 F408 W409	K379-W400 HydrophobicContact CD-CH2 4.13Å; K379-W400 HydrophobicContact CD-CZ3 4.44Å; N398-W400 HydrophobicContact CB-CD2 4.47Å; N398-W400 HydrophobicContact CB-CZ2 3.91Å; W400-F408 CarbonylContact O-C 3.54Å; W400-F408 VanDerWaalsContact O-CA 3.25Å; W400-F408 WeakPolarHBondContact O-CA 3.33Å; W400-W409 HydrophobicContact CB-CD2 3.9Å; W400-W409 HydrophobicContact CB-CG 4.2Å; W400-W409 HydrophobicContact CB-CH2 4.48Å; W400-W409 HydrophobicContact CB-CZ2 3.68Å; W400-W409 AromaticContact CD1-NE1 3.79Å; W400-W409 AromaticContact CG-NE1 3.78Å; W400-W409 PolarHBondContact N-O 2.85Å; W400-W409 PolarHBondContact O-N 2.98Å
401	C	93.3	Very high	90.7	Very high	46 Å²	46	60.1 Å²	60.1	31%	0.311	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	135.4	173.1	-178.1	0	0	0	0	109.7	V403 Y407 F408 W409	C401-V403 PolarHBondContact O-N 3.19Å; C401-Y407 CarbonylContact C-O 3.57Å; C401-Y407 VanDerWaalsContact CA-O 3.27Å; C401-Y407 WeakPolarHBondContact CA-O 3.5Å; C401-F408 HydrophobicContact CB-CD1 3.93Å; C401-F408 HydrophobicContact CB-CE1 3.78Å; C401-F408 HydrophobicContact CB-CG 4.43Å; C401-F408 HydrophobicContact CB-CZ 4.13Å; C401-W409 VanDerWaalsContact C-CH2 3.49Å
402	S	89.5	Confident	91	Very high	16 Å²	16	58.1 Å²	58.1	11%	0.112	30%	0.295	C	S	.	.			trans	-76.9	125	179.3	175.1	0	0	0	0	109.1	E404 T405 G406 Y407 W409	S402-E404 PolarHBondContact O-N 3.36Å; S402-E404 PolarHBondContact OG-N 3.22Å; S402-T405 WeakPolarHBondContact CB-OG1 3.19Å; S402-T405 PolarHBondContact OG-N 2.78Å; S402-T405 PolarHBondContact OG-OG1 2.93Å; S402-T405 VanDerWaalsContact OG-OG1 3.11Å; S402-G406 VanDerWaalsContact O-CA 3.27Å; S402-G406 WeakPolarHBondContact O-CA 3.38Å; S402-G406 PolarHBondContact O-N 3.36Å; S402-Y407 PolarHBondContact N-O 3.38Å; S402-W409 VanDerWaalsContact CB-CH2 3.45Å
403	V	85.8	Confident	91.2	Very high	153 Å²	153	58 Å²	58	93%	0.927	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-33.1	175	-177.2	0	0	0	0	111	C401	C401-V403 PolarHBondContact O-N 3.19Å
404	E	84.6	Confident	91.3	Very high	187 Å²	187	56.8 Å²	56.8	87%	0.874	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-38.3	-177	-64.5	-178	-178.8	0	0	112.8	S402	S402-E404 PolarHBondContact O-N 3.36Å; S402-E404 PolarHBondContact OG-N 3.22Å
405	T	83.8	Confident	91.2	Very high	56 Å²	56	56.1 Å²	56.1	34%	0.344	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.3	-16.8	-170.6	66.6	0	0	0	0	114.6	S402 Y407	S402-T405 WeakPolarHBondContact CB-OG1 3.19Å; S402-T405 PolarHBondContact OG-N 2.78Å; S402-T405 PolarHBondContact OG-OG1 2.93Å; S402-T405 VanDerWaalsContact OG-OG1 3.11Å; T405-Y407 VanDerWaalsContact CB-CD2 3.44Å; T405-Y407 VanDerWaalsContact CB-CE2 3.49Å; T405-Y407 HydrophobicContact CG2-CD2 4.25Å; T405-Y407 HydrophobicContact CG2-CE2 4.11Å; T405-Y407 PolarHBondContact O-N 2.69Å; T405-Y407 WeakPolarHBondContact OG1-CD2 3.39Å
406	G	86.7	Confident	91.2	Very high	19 Å²	19	62.2 Å²	62.2	20%	0.196	31%	0.314	C	S	.	.			trans	70.2	13	-175.7	0	0	0	0	0	114.5	S402	S402-G406 VanDerWaalsContact O-CA 3.27Å; S402-G406 WeakPolarHBondContact O-CA 3.38Å; S402-G406 PolarHBondContact O-N 3.36Å
407	Y	92.3	Very high	91	Very high	57 Å²	57	63.3 Å²	63.3	22%	0.224	32%	0.321	C	S	.	.			trans	-84.3	148.2	178.5	-56.7	-38.9	0	0	0	111.9	C401 S402 T405 W409 K418 L419 T420	C401-Y407 CarbonylContact C-O 3.57Å; C401-Y407 VanDerWaalsContact CA-O 3.27Å; C401-Y407 WeakPolarHBondContact CA-O 3.5Å; S402-Y407 PolarHBondContact N-O 3.38Å; T405-Y407 VanDerWaalsContact CB-CD2 3.44Å; T405-Y407 VanDerWaalsContact CB-CE2 3.49Å; T405-Y407 HydrophobicContact CG2-CD2 4.25Å; T405-Y407 HydrophobicContact CG2-CE2 4.11Å; T405-Y407 PolarHBondContact O-N 2.69Å; T405-Y407 WeakPolarHBondContact OG1-CD2 3.39Å; Y407-W409 WeakPolarHBondContact O-CZ3 3.37Å; Y407-K418 HydrophobicContact CD1-CB 4.02Å; Y407-K418 HydrophobicContact CD2-CB 4.16Å; Y407-K418 HydrophobicContact CD2-CG 4.09Å; Y407-K418 HydrophobicContact CE1-CB 3.79Å; Y407-K418 HydrophobicContact CE1-CG 4.43Å; Y407-K418 HydrophobicContact CE2-CB 3.95Å; Y407-K418 HydrophobicContact CE2-CD 4.15Å; Y407-K418 HydrophobicContact CE2-CG 3.71Å; Y407-K418 HydrophobicContact CG-CB 4.23Å; Y407-L419 CarbonylContact C-O 3.48Å; Y407-L419 VanDerWaalsContact CA-O 3.29Å; Y407-L419 WeakPolarHBondContact CA-O 3.25Å; Y407-T420 HydrophobicContact CD1-CG2 3.92Å; Y407-T420 HydrophobicContact CE1-CG2 3.87Å
408	F	95	Very high	90.8	Very high	1 Å²	1	68.5 Å²	68.5	0%	0.004	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	141.4	-179.2	-69.7	-99.4	0	0	0	111.7	P262 E264 I399 W400 C401 L419 T420 V422 L425	P262-F408 HydrophobicContact CB-CE1 3.74Å; P262-F408 HydrophobicContact CB-CZ 3.88Å; P262-F408 HydrophobicContact CG-CE1 3.63Å; P262-F408 HydrophobicContact CG-CZ 4.02Å; E264-F408 HydrophobicContact CG-CE2 4Å; E264-F408 HydrophobicContact CG-CZ 3.68Å; I399-F408 HydrophobicContact CG2-CD1 4.05Å; W400-F408 CarbonylContact O-C 3.54Å; W400-F408 VanDerWaalsContact O-CA 3.25Å; W400-F408 WeakPolarHBondContact O-CA 3.33Å; C401-F408 HydrophobicContact CB-CD1 3.93Å; C401-F408 HydrophobicContact CB-CE1 3.78Å; C401-F408 HydrophobicContact CB-CG 4.43Å; C401-F408 HydrophobicContact CB-CZ 4.13Å; F408-L419 PolarHBondContact N-O 3.23Å; F408-T420 WeakPolarHBondContact CE2-O 3.38Å; F408-V422 HydrophobicContact CD1-CG2 3.75Å; F408-V422 HydrophobicContact CE1-CG2 3.74Å; F408-V422 HydrophobicContact CG-CG2 4.46Å; F408-V422 HydrophobicContact CZ-CG2 4.45Å; F408-L425 HydrophobicContact CB-CD2 4.12Å
409	W	94.9	Very high	90.6	Very high	39 Å²	39	66.7 Å²	66.7	15%	0.148	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	158	175.7	63	97.4	0	0	0	113.2	W400 C401 S402 Y407 R411 D414 E415	W400-W409 HydrophobicContact CB-CD2 3.9Å; W400-W409 HydrophobicContact CB-CG 4.2Å; W400-W409 HydrophobicContact CB-CH2 4.48Å; W400-W409 HydrophobicContact CB-CZ2 3.68Å; W400-W409 AromaticContact CD1-NE1 3.79Å; W400-W409 AromaticContact CG-NE1 3.78Å; W400-W409 PolarHBondContact N-O 2.85Å; W400-W409 PolarHBondContact O-N 2.98Å; C401-W409 VanDerWaalsContact C-CH2 3.49Å; S402-W409 VanDerWaalsContact CB-CH2 3.45Å; Y407-W409 WeakPolarHBondContact O-CZ3 3.37Å; W409-R411 WeakPolarHBondContact CB-O 3.17Å; W409-D414 HydrophobicContact CB-CB 3.76Å; W409-E415 HydrophobicContact CD2-CB 4.24Å; W409-E415 HydrophobicContact CE3-CB 4.05Å; W409-E415 HydrophobicContact CE3-CG 3.9Å; W409-E415 HydrophobicContact CG-CB 4.48Å; W409-E415 HydrophobicContact CZ3-CG 3.96Å
410	I	94.1	Very high	90.4	Very high	13 Å²	13	66.6 Å²	66.6	7%	0.067	33%	0.333	C	S	.	.	S	Bend	trans	-103.7	-45.6	165.9	-76.1	154.9	0	0	0	109.1	V382 T397 I399 D414 L425 Y429 L436	V382-I410 HydrophobicContact CG1-CD1 3.97Å; V382-I410 HydrophobicContact CG1-CG1 4.44Å; T397-I410 HydrophobicContact CG2-CG2 3.52Å; I399-I410 HydrophobicContact CG1-CD1 4.37Å; I399-I410 HydrophobicContact CG1-CG1 3.93Å; I410-D414 PolarHBondContact N-OD2 3.5Å; I410-L425 HydrophobicContact CD1-CD2 4.12Å; I410-L425 HydrophobicContact CD1-CG 4.27Å; I410-L425 HydrophobicContact CG1-CD2 4.03Å; I410-Y429 HydrophobicContact CB-CE2 4.24Å; I410-Y429 HydrophobicContact CD1-CD2 4.14Å; I410-Y429 HydrophobicContact CD1-CE1 4.4Å; I410-Y429 HydrophobicContact CD1-CE2 3.85Å; I410-L436 HydrophobicContact CD1-CD2 3.94Å
411	R	90.9	Very high	90.3	Very high	42 Å²	42	61.4 Å²	61.4	16%	0.158	31%	0.314	C	S	.	.	S	Bend	trans	-104	145.2	174.6	-59.5	165.8	179	-128.1	-9	110.2	W409 E413 D414 Y429 P435 Q437 D438	W409-R411 WeakPolarHBondContact CB-O 3.17Å; R411-E413 WeakPolarHBondContact CB-OE2 3.19Å; R411-E413 PolarHBondContact O-N 2.72Å; R411-D414 PolarHBondContact N-OD2 3.27Å; R411-D414 WeakPolarHBondContact O-CB 3.39Å; R411-D414 PolarHBondContact O-N 3.06Å; R411-Y429 WeakPolarHBondContact CD-OH 3.37Å; R411-Y429 WeakPolarHBondContact CG-OH 3.15Å; R411-P435 PolarHBondContact NE-O 3.43Å; R411-P435 PolarHBondContact NH2-O 3.31Å; R411-Q437 VanDerWaalsContact NH2-C 3.31Å; R411-Q437 PolarHBondContact NH2-O 3.42Å; R411-D438 IonicContact CZ-OD1 2.77Å; R411-D438 IonicContact NH1-OD1 3.91Å; R411-D438 PolarHBondContact NH1-OD1 3.37Å; R411-D438 IonicContact NH2-OD1 3.13Å; R411-D438 PolarHBondContact NH2-OD1 3.15Å
412	P	88.8	Confident	90.5	Very high	93 Å²	93	59.2 Å²	59.2	60%	0.604	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-53.9	-30	179.8	-26.6	35.5	0	0	0	114.2	D414 E415	P412-D414 VanDerWaalsContact C-N 3.28Å; P412-D414 PolarHBondContact O-N 2.91Å; P412-E415 PolarHBondContact O-N 2.99Å
413	E	89.9	Confident	90.8	Very high	114 Å²	114	59.4 Å²	59.4	53%	0.533	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-69.4	-25.8	178.4	-58.8	71.9	-153.5	0	0	113.1	R411 E415 K416	R411-E413 WeakPolarHBondContact CB-OE2 3.19Å; R411-E413 PolarHBondContact O-N 2.72Å; E413-E415 PolarHBondContact O-N 3.27Å; E413-K416 PolarHBondContact O-N 3.13Å
414	D	90.9	Very high	91.2	Very high	8 Å²	8	52.1 Å²	52.1	4%	0.043	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-69.5	-22.7	-178.1	-49.8	-32	0	0	0	111.6	W409 I410 R411 P412 K416 L417 L425 Y429	W409-D414 HydrophobicContact CB-CB 3.76Å; I410-D414 PolarHBondContact N-OD2 3.5Å; R411-D414 PolarHBondContact N-OD2 3.27Å; R411-D414 WeakPolarHBondContact O-CB 3.39Å; R411-D414 PolarHBondContact O-N 3.06Å; P412-D414 VanDerWaalsContact C-N 3.28Å; P412-D414 PolarHBondContact O-N 2.91Å; D414-K416 PolarHBondContact O-N 3.17Å; D414-K416 VanDerWaalsContact O-N 3.1Å; D414-L417 HydrophobicContact CB-CD1 4.08Å; D414-L417 WeakPolarHBondContact O-CB 3.33Å; D414-L417 VanDerWaalsContact O-CG 3.3Å; D414-L417 WeakPolarHBondContact O-CG 3.42Å; D414-L417 PolarHBondContact O-N 3.16Å; D414-L425 HydrophobicContact CB-CD1 4.49Å; D414-Y429 WeakPolarHBondContact OD2-CE2 3.33Å; D414-Y429 PolarHBondContact OD2-OH 3.2Å
415	E	89.5	Confident	91.7	Very high	70 Å²	70	43.2 Å²	43.2	33%	0.327	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-57.8	-30.5	179.6	-171.1	177.9	-168.1	0	0	111.6	W409 P412 E413 L417 K418	W409-E415 HydrophobicContact CD2-CB 4.24Å; W409-E415 HydrophobicContact CE3-CB 4.05Å; W409-E415 HydrophobicContact CE3-CG 3.9Å; W409-E415 HydrophobicContact CG-CB 4.48Å; W409-E415 HydrophobicContact CZ3-CG 3.96Å; P412-E415 PolarHBondContact O-N 2.99Å; E413-E415 PolarHBondContact O-N 3.27Å; E415-L417 PolarHBondContact O-N 2.79Å; E415-K418 PolarHBondContact O-N 2.92Å; E415-K418 VanDerWaalsContact O-N 3.07Å
416	K	89.5	Confident	92.3	Very high	175 Å²	175	40.5 Å²	40.5	76%	0.761	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-64.7	-18.5	176.1	-63.5	176.3	-176.4	170.2	0	113.4	E413 D414 K418	E413-K416 PolarHBondContact O-N 3.13Å; D414-K416 PolarHBondContact O-N 3.17Å; D414-K416 VanDerWaalsContact O-N 3.1Å; K416-K418 VanDerWaalsContact C-N 3.26Å
417	L	89.6	Confident	92.6	Very high	68 Å²	68	40 Å²	40	36%	0.356	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-75.6	-16.4	176.7	-56	172.4	0	0	0	112.3	D414 E415 L419 Y428	D414-L417 HydrophobicContact CB-CD1 4.08Å; D414-L417 WeakPolarHBondContact O-CB 3.33Å; D414-L417 VanDerWaalsContact O-CG 3.3Å; D414-L417 WeakPolarHBondContact O-CG 3.42Å; D414-L417 PolarHBondContact O-N 3.16Å; E415-L417 PolarHBondContact O-N 2.79Å; L417-L419 VanDerWaalsContact C-N 3.31Å; L417-L419 HydrophobicContact CB-CD1 4.24Å; L417-L419 HydrophobicContact CB-CD2 4.21Å; L417-L419 HydrophobicContact CB-CG 3.85Å; L417-L419 HydrophobicContact CD1-CD1 4.27Å; L417-L419 PolarHBondContact O-N 2.89Å; L417-Y428 HydrophobicContact CD1-CD1 3.8Å; L417-Y428 HydrophobicContact CD1-CD2 4.09Å; L417-Y428 HydrophobicContact CD1-CE1 3.45Å; L417-Y428 VanDerWaalsContact CD1-CE1 3.45Å; L417-Y428 HydrophobicContact CD1-CE2 3.76Å; L417-Y428 HydrophobicContact CD1-CG 4.11Å; L417-Y428 VanDerWaalsContact CD1-CZ 3.43Å; L417-Y428 HydrophobicContact CD2-CE2 4.44Å
418	K	90	Very high	92.7	Very high	120 Å²	120	39.6 Å²	39.6	52%	0.522	19%	0.188	S	C	.	.			trans	57.1	38.2	177.1	-55.2	-175.2	178.3	-174.9	0	114.1	Q332 Y407 E415 K416 T420	Q332-K418 PolarHBondContact OE1-O 3.35Å; Y407-K418 HydrophobicContact CD1-CB 4.02Å; Y407-K418 HydrophobicContact CD2-CB 4.16Å; Y407-K418 HydrophobicContact CD2-CG 4.09Å; Y407-K418 HydrophobicContact CE1-CB 3.79Å; Y407-K418 HydrophobicContact CE1-CG 4.43Å; Y407-K418 HydrophobicContact CE2-CB 3.95Å; Y407-K418 HydrophobicContact CE2-CD 4.15Å; Y407-K418 HydrophobicContact CE2-CG 3.71Å; Y407-K418 HydrophobicContact CG-CB 4.23Å; E415-K418 PolarHBondContact O-N 2.92Å; E415-K418 VanDerWaalsContact O-N 3.07Å; K416-K418 VanDerWaalsContact C-N 3.26Å; K418-T420 PolarHBondContact O-N 3.41Å
419	L	92.8	Very high	92.6	Very high	5 Å²	5	39.5 Å²	39.5	3%	0.026	19%	0.188	C	C	.	.			trans	-75.5	122.7	-179.8	-54.3	179.8	0	0	0	109.3	Q332 L335 Y407 F408 L417 L424 L425	Q332-L419 HydrophobicContact CB-CD2 4.3Å; L335-L419 HydrophobicContact CD1-CD2 4.47Å; Y407-L419 CarbonylContact C-O 3.48Å; Y407-L419 VanDerWaalsContact CA-O 3.29Å; Y407-L419 WeakPolarHBondContact CA-O 3.25Å; F408-L419 PolarHBondContact N-O 3.23Å; L417-L419 VanDerWaalsContact C-N 3.31Å; L417-L419 HydrophobicContact CB-CD1 4.24Å; L417-L419 HydrophobicContact CB-CD2 4.21Å; L417-L419 HydrophobicContact CB-CG 3.85Å; L417-L419 HydrophobicContact CD1-CD1 4.27Å; L417-L419 PolarHBondContact O-N 2.89Å; L419-L424 HydrophobicContact CB-CB 4.23Å; L419-L424 HydrophobicContact CD2-CB 4.23Å; L419-L425 HydrophobicContact CD1-CB 4.12Å; L419-L425 HydrophobicContact CD1-CD1 3.92Å
420	T	91.6	Very high	92.4	Very high	8 Å²	8	40.3 Å²	40.3	5%	0.049	19%	0.193	C	C	.	.			trans	-94.8	1.7	-170.9	60.9	0	0	0	0	114.5	L251 G265 Y407 F408 K418	L251-T420 HydrophobicContact CD1-CG2 4.06Å; L251-T420 HydrophobicContact CD2-CG2 4.21Å; G265-T420 PolarHBondContact N-O 3.17Å; G265-T420 WeakPolarHBondContact O-CB 3.34Å; G265-T420 PolarHBondContact O-OG1 3.12Å; Y407-T420 HydrophobicContact CD1-CG2 3.92Å; Y407-T420 HydrophobicContact CE1-CG2 3.87Å; F408-T420 WeakPolarHBondContact CE2-O 3.38Å; K418-T420 PolarHBondContact O-N 3.41Å
421	C	94	Very high	92.1	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.213	C	C	.	.	S	Bend	trans	-153.5	161.7	177.3	63.6	0	0	0	0	111.5	E264 P341 L424 L425	E264-C421 HydrophobicContact CB-CB 4.24Å; E264-C421 HydrophobicContact CG-CB 4.2Å; E264-C421 WeakPolarHBondContact OE1-CA 3.36Å; E264-C421 WeakPolarHBondContact OE1-CB 3.49Å; P341-C421 WeakPolarHBondContact CB-SG 3.47Å; C421-L424 PolarHBondContact O-N 3.06Å; C421-L424 VanDerWaalsContact SG-CD1 3.55Å; C421-L424 WeakPolarHBondContact SG-CG 3.47Å; C421-L425 PolarHBondContact O-N 3.01Å
422	V	96.2	Very high	92	Very high	0 Å²	0	50 Å²	50	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-68	-37.7	-175.6	178.2	0	0	0	0	111.5	E264 L344 L347 I371 L380 I399 F408 L424 L425 I426	E264-V422 WeakPolarHBondContact OE1-CG2 3.38Å; E264-V422 PolarHBondContact OE1-N 2.93Å; L344-V422 HydrophobicContact CD1-CB 4.21Å; L344-V422 HydrophobicContact CD1-CG1 4.13Å; L344-V422 HydrophobicContact CD1-CG2 4.26Å; L347-V422 HydrophobicContact CD1-CG1 4.43Å; I371-V422 HydrophobicContact CD1-CG1 3.66Å; L380-V422 HydrophobicContact CD2-CG2 3.68Å; I399-V422 HydrophobicContact CD1-CG1 3.98Å; F408-V422 HydrophobicContact CD1-CG2 3.75Å; F408-V422 HydrophobicContact CE1-CG2 3.74Å; F408-V422 HydrophobicContact CG-CG2 4.46Å; F408-V422 HydrophobicContact CZ-CG2 4.45Å; V422-L424 VanDerWaalsContact C-N 3.3Å; V422-L424 PolarHBondContact O-N 3.25Å; V422-L425 WeakPolarHBondContact O-CB 3.02Å; V422-L425 PolarHBondContact O-N 2.92Å; V422-L425 VanDerWaalsContact O-N 3.13Å; V422-I426 HydrophobicContact CG1-CG1 4.07Å; V422-I426 VanDerWaalsContact O-CG1 3.29Å; V422-I426 WeakPolarHBondContact O-CG1 3.27Å; V422-I426 PolarHBondContact O-N 3.2Å
423	E	96	Very high	91.9	Very high	19 Å²	19	49.9 Å²	49.9	9%	0.089	23%	0.225	C	C	.	.	H	α-helix	trans	-61.6	-39.5	-179.9	-162.4	176.6	-150.1	0	0	112	L336 P341 R342 L347 I426 A427	L336-E423 HydrophobicContact CD1-CG 4.48Å; L336-E423 HydrophobicContact CD2-CG 3.99Å; P341-E423 WeakPolarHBondContact CA-OE2 3.42Å; P341-E423 HydrophobicContact CB-CB 4.41Å; R342-E423 PolarHBondContact N-OE2 3.25Å; R342-E423 IonicContact NH1-OE1 3.4Å; R342-E423 PolarHBondContact NH1-OE1 2.86Å; L347-E423 HydrophobicContact CD1-CB 4.29Å; L347-E423 HydrophobicContact CD2-CB 3.8Å; L347-E423 HydrophobicContact CD2-CG 3.64Å; E423-I426 PolarHBondContact O-N 3.4Å; E423-A427 VanDerWaalsContact O-CB 3.25Å; E423-A427 WeakPolarHBondContact O-CB 3.19Å; E423-A427 PolarHBondContact O-N 3.35Å
424	L	94.4	Very high	91.7	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-63.5	-42.2	175.1	-77.2	174	0	0	0	111.7	Q332 F333 L336 L419 C421 V422 A427 Y428	Q332-L424 HydrophobicContact CG-CD1 4.14Å; Q332-L424 WeakPolarHBondContact O-CD2 3.46Å; F333-L424 HydrophobicContact CD1-CD1 4.37Å; F333-L424 HydrophobicContact CD1-CD2 3.86Å; F333-L424 HydrophobicContact CE1-CD1 3.86Å; F333-L424 HydrophobicContact CE1-CD2 4.18Å; F333-L424 HydrophobicContact CE1-CG 4.39Å; F333-L424 HydrophobicContact CZ-CD1 4.47Å; L336-L424 HydrophobicContact CD1-CD2 3.74Å; L336-L424 HydrophobicContact CD1-CG 4.23Å; L336-L424 HydrophobicContact CG-CD2 3.93Å; L419-L424 HydrophobicContact CB-CB 4.23Å; L419-L424 HydrophobicContact CD2-CB 4.23Å; C421-L424 PolarHBondContact O-N 3.06Å; C421-L424 VanDerWaalsContact SG-CD1 3.55Å; C421-L424 WeakPolarHBondContact SG-CG 3.47Å; V422-L424 VanDerWaalsContact C-N 3.3Å; V422-L424 PolarHBondContact O-N 3.25Å; L424-A427 PolarHBondContact O-N 2.92Å; L424-Y428 WeakPolarHBondContact O-CB 3.16Å; L424-Y428 PolarHBondContact O-N 3.14Å
425	L	95.4	Very high	91.4	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-61.7	-46.4	176.7	-178.6	63.9	0	0	0	111.3	I399 F408 I410 D414 L419 C421 V422 Y428 Y429	I399-L425 HydrophobicContact CG2-CD2 3.72Å; F408-L425 HydrophobicContact CB-CD2 4.12Å; I410-L425 HydrophobicContact CD1-CD2 4.12Å; I410-L425 HydrophobicContact CD1-CG 4.27Å; I410-L425 HydrophobicContact CG1-CD2 4.03Å; D414-L425 HydrophobicContact CB-CD1 4.49Å; L419-L425 HydrophobicContact CD1-CB 4.12Å; L419-L425 HydrophobicContact CD1-CD1 3.92Å; C421-L425 PolarHBondContact O-N 3.01Å; V422-L425 WeakPolarHBondContact O-CB 3.02Å; V422-L425 PolarHBondContact O-N 2.92Å; V422-L425 VanDerWaalsContact O-N 3.13Å; L425-Y428 WeakPolarHBondContact O-CB 3.41Å; L425-Y428 PolarHBondContact O-N 2.75Å; L425-Y429 HydrophobicContact CD1-CD2 4.12Å; L425-Y429 HydrophobicContact CD1-CE2 3.8Å; L425-Y429 HydrophobicContact CG-CD2 4.46Å; L425-Y429 HydrophobicContact CG-CE2 4.46Å; L425-Y429 WeakPolarHBondContact O-CD2 3.33Å; L425-Y429 PolarHBondContact O-N 2.92Å; L425-Y429 VanDerWaalsContact O-N 3.16Å
426	I	95.6	Very high	91.2	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-66.6	-43.6	179.7	-63.6	-70.6	0	0	0	111.2	Y349 F369 I371 V382 V422 E423 Y428 Y429 Q430 I456	Y349-I426 HydrophobicContact CE2-CG2 4.27Å; F369-I426 HydrophobicContact CE2-CG2 3.73Å; F369-I426 HydrophobicContact CZ-CG2 3.83Å; I371-I426 HydrophobicContact CD1-CD1 3.6Å; I371-I426 HydrophobicContact CD1-CG1 3.58Å; I371-I426 HydrophobicContact CG1-CD1 4.32Å; V382-I426 HydrophobicContact CG2-CD1 4.34Å; V422-I426 HydrophobicContact CG1-CG1 4.07Å; V422-I426 VanDerWaalsContact O-CG1 3.29Å; V422-I426 WeakPolarHBondContact O-CG1 3.27Å; V422-I426 PolarHBondContact O-N 3.2Å; E423-I426 PolarHBondContact O-N 3.4Å; I426-Y428 VanDerWaalsContact C-N 3.26Å; I426-Y428 PolarHBondContact O-N 3.48Å; I426-Y429 PolarHBondContact O-N 2.87Å; I426-Y429 VanDerWaalsContact O-N 3.14Å; I426-Q430 HydrophobicContact CG2-CG 4.4Å; I426-Q430 WeakPolarHBondContact O-CG 3.42Å; I426-Q430 PolarHBondContact O-N 3.43Å; I426-I456 HydrophobicContact CD1-CD1 4.03Å; I426-I456 HydrophobicContact CG2-CD1 4.07Å
427	A	93.6	Very high	90.4	Very high	9 Å²	9	39.3 Å²	39.3	7%	0.074	18%	0.18	C	C	.	.	H	α-helix	trans	-60.9	-36.6	176.2	0	0	0	0	0	112.1	L335 L336 E423 L424 Q430 E431	L335-A427 HydrophobicContact CB-CB 3.88Å; L336-A427 HydrophobicContact CD2-CB 3.5Å; L336-A427 VanDerWaalsContact CD2-CB 3.5Å; L336-A427 HydrophobicContact CG-CB 4.48Å; E423-A427 VanDerWaalsContact O-CB 3.25Å; E423-A427 WeakPolarHBondContact O-CB 3.19Å; E423-A427 PolarHBondContact O-N 3.35Å; L424-A427 PolarHBondContact O-N 2.92Å; A427-Q430 PolarHBondContact O-N 3.1Å; A427-E431 VanDerWaalsContact O-CB 3.3Å; A427-E431 WeakPolarHBondContact O-CB 3.45Å; A427-E431 PolarHBondContact O-N 3.18Å
428	Y	93.4	Very high	89.1	Confident	47 Å²	47	40.6 Å²	40.6	18%	0.184	19%	0.188	C	C	.	.	H	α-helix	trans	-58.8	-50.1	172	169.6	-107	0	0	0	111.9	L417 L424 L425 I426 Q430 R432 I434	L417-Y428 HydrophobicContact CD1-CD1 3.8Å; L417-Y428 HydrophobicContact CD1-CD2 4.09Å; L417-Y428 HydrophobicContact CD1-CE1 3.45Å; L417-Y428 VanDerWaalsContact CD1-CE1 3.45Å; L417-Y428 HydrophobicContact CD1-CE2 3.76Å; L417-Y428 HydrophobicContact CD1-CG 4.11Å; L417-Y428 VanDerWaalsContact CD1-CZ 3.43Å; L417-Y428 HydrophobicContact CD2-CE2 4.44Å; L424-Y428 WeakPolarHBondContact O-CB 3.16Å; L424-Y428 PolarHBondContact O-N 3.14Å; L425-Y428 WeakPolarHBondContact O-CB 3.41Å; L425-Y428 PolarHBondContact O-N 2.75Å; I426-Y428 VanDerWaalsContact C-N 3.26Å; I426-Y428 PolarHBondContact O-N 3.48Å; Y428-Q430 PolarHBondContact O-N 3.21Å; Y428-R432 HydrophobicContact CD2-CG 3.84Å; Y428-R432 HydrophobicContact CE2-CG 3.74Å; Y428-R432 VanDerWaalsContact O-CB 3.28Å; Y428-R432 WeakPolarHBondContact O-CB 3.5Å; Y428-R432 WeakPolarHBondContact O-CG 3.27Å; Y428-R432 PolarHBondContact O-N 3.04Å; Y428-I434 HydrophobicContact CD1-CD1 4.13Å; Y428-I434 HydrophobicContact CE1-CD1 3.32Å; Y428-I434 HydrophobicContact CE2-CD1 4.02Å; Y428-I434 WeakPolarHBondContact OH-CD1 3.42Å
429	Y	93.1	Very high	87.2	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-63.7	-39.6	179.1	-87.7	-101.6	0	0	0	112.5	I410 R411 D414 L425 I426 Q433 I434 L436	I410-Y429 HydrophobicContact CB-CE2 4.24Å; I410-Y429 HydrophobicContact CD1-CD2 4.14Å; I410-Y429 HydrophobicContact CD1-CE1 4.4Å; I410-Y429 HydrophobicContact CD1-CE2 3.85Å; R411-Y429 WeakPolarHBondContact CD-OH 3.37Å; R411-Y429 WeakPolarHBondContact CG-OH 3.15Å; D414-Y429 WeakPolarHBondContact OD2-CE2 3.33Å; D414-Y429 PolarHBondContact OD2-OH 3.2Å; L425-Y429 HydrophobicContact CD1-CD2 4.12Å; L425-Y429 HydrophobicContact CD1-CE2 3.8Å; L425-Y429 HydrophobicContact CG-CD2 4.46Å; L425-Y429 HydrophobicContact CG-CE2 4.46Å; L425-Y429 WeakPolarHBondContact O-CD2 3.33Å; L425-Y429 PolarHBondContact O-N 2.92Å; L425-Y429 VanDerWaalsContact O-N 3.16Å; I426-Y429 PolarHBondContact O-N 2.87Å; I426-Y429 VanDerWaalsContact O-N 3.14Å; Y429-Q433 WeakPolarHBondContact O-CA 3.36Å; Y429-Q433 PolarHBondContact O-N 3.11Å; Y429-I434 HydrophobicContact CD1-CB 3.87Å; Y429-I434 HydrophobicContact CD1-CG2 3.9Å; Y429-I434 WeakPolarHBondContact CD1-O 3.24Å; Y429-I434 HydrophobicContact CE1-CB 4.12Å; Y429-I434 HydrophobicContact CE1-CG2 3.61Å; Y429-I434 HydrophobicContact CG-CB 4.46Å; Y429-I434 PolarHBondContact O-N 3.22Å; Y429-I434 VanDerWaalsContact O-N 3.14Å; Y429-L436 HydrophobicContact CD1-CD2 3.93Å; Y429-L436 HydrophobicContact CE1-CD2 4.11Å
430	Q	91.5	Very high	85.1	Confident	55 Å²	55	43 Å²	43	26%	0.257	21%	0.212	S	C	.	.	H	α-helix	trans	-69.2	-48	176.9	-70.2	-175	-63.1	0	0	112.6	I426 A427 Y428 R432 Q433 I456 V457	I426-Q430 HydrophobicContact CG2-CG 4.4Å; I426-Q430 WeakPolarHBondContact O-CG 3.42Å; I426-Q430 PolarHBondContact O-N 3.43Å; A427-Q430 PolarHBondContact O-N 3.1Å; Y428-Q430 PolarHBondContact O-N 3.21Å; Q430-R432 PolarHBondContact O-N 3.45Å; Q430-Q433 PolarHBondContact O-N 3.2Å; Q430-Q433 PolarHBondContact O-NE2 3.36Å; Q430-I456 HydrophobicContact CG-CD1 4.25Å; Q430-I456 HydrophobicContact CG-CG1 4.04Å; Q430-V457 PolarHBondContact NE2-O 3.31Å; Q430-V457 VanDerWaalsContact NE2-O 3.16Å
431	E	88	Confident	83.2	Confident	103 Å²	103	44.7 Å²	44.7	48%	0.481	22%	0.22	S	C	.	.	H	α-helix	trans	-66.1	-40.9	-178.1	-176.8	179.3	144	0	0	111.5	L335 A427	L335-E431 WeakPolarHBondContact CA-OE2 3.49Å; L335-E431 HydrophobicContact CD2-CB 4.31Å; L335-E431 VanDerWaalsContact CD2-OE2 3.28Å; L335-E431 WeakPolarHBondContact CD2-OE2 2.94Å; A427-E431 VanDerWaalsContact O-CB 3.3Å; A427-E431 WeakPolarHBondContact O-CB 3.45Å; A427-E431 PolarHBondContact O-N 3.18Å
432	R	87.7	Confident	81.1	Confident	155 Å²	155	47.4 Å²	47.4	59%	0.585	23%	0.232	S	C	*	.	H	α-helix	trans	-87.1	-6.8	-177	-59.8	-61.3	-177.9	165.5	-3.4	113.8	Y428 Q430 I434	Y428-R432 HydrophobicContact CD2-CG 3.84Å; Y428-R432 HydrophobicContact CE2-CG 3.74Å; Y428-R432 VanDerWaalsContact O-CB 3.28Å; Y428-R432 WeakPolarHBondContact O-CB 3.5Å; Y428-R432 WeakPolarHBondContact O-CG 3.27Å; Y428-R432 PolarHBondContact O-N 3.04Å; Q430-R432 PolarHBondContact O-N 3.45Å; R432-I434 VanDerWaalsContact C-N 3.3Å; R432-I434 HydrophobicContact CB-CD1 3.52Å; R432-I434 HydrophobicContact CB-CG1 3.63Å; R432-I434 HydrophobicContact CG-CD1 4.24Å; R432-I434 PolarHBondContact O-N 3.16Å
433	Q	86.5	Confident	79	Confident	92 Å²	92	55 Å²	55	43%	0.43	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.9	53.9	-176.8	-62.5	-70.3	-50.9	0	0	110.5	Y429 Q430 C455	Y429-Q433 WeakPolarHBondContact O-CA 3.36Å; Y429-Q433 PolarHBondContact O-N 3.11Å; Q430-Q433 PolarHBondContact O-N 3.2Å; Q430-Q433 PolarHBondContact O-NE2 3.36Å; Q433-C455 VanDerWaalsContact CA-SG 3.55Å; Q433-C455 HydrophobicContact CB-CB 4.41Å; Q433-C455 PolarHBondContact O-SG 3.35Å
434	I	86.8	Confident	76.8	Confident	30 Å²	30	61.9 Å²	61.9	15%	0.154	30%	0.299	C	S	.	.			trans	-93.9	132.3	178.9	-63.6	167.3	0	0	0	108.3	Y428 Y429 R432	Y428-I434 HydrophobicContact CD1-CD1 4.13Å; Y428-I434 HydrophobicContact CE1-CD1 3.32Å; Y428-I434 HydrophobicContact CE2-CD1 4.02Å; Y428-I434 WeakPolarHBondContact OH-CD1 3.42Å; Y429-I434 HydrophobicContact CD1-CB 3.87Å; Y429-I434 HydrophobicContact CD1-CG2 3.9Å; Y429-I434 WeakPolarHBondContact CD1-O 3.24Å; Y429-I434 HydrophobicContact CE1-CB 4.12Å; Y429-I434 HydrophobicContact CE1-CG2 3.61Å; Y429-I434 HydrophobicContact CG-CB 4.46Å; Y429-I434 PolarHBondContact O-N 3.22Å; Y429-I434 VanDerWaalsContact O-N 3.14Å; R432-I434 VanDerWaalsContact C-N 3.3Å; R432-I434 HydrophobicContact CB-CD1 3.52Å; R432-I434 HydrophobicContact CB-CG1 3.63Å; R432-I434 HydrophobicContact CG-CD1 4.24Å; R432-I434 PolarHBondContact O-N 3.16Å
435	P	84.7	Confident	75	Confident	24 Å²	24	64.9 Å²	64.9	16%	0.156	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-71	149.1	175.2	28.1	-32.9	0	0	0	111.8	R411 Q437 F454	R411-P435 PolarHBondContact NE-O 3.43Å; R411-P435 PolarHBondContact NH2-O 3.31Å; P435-Q437 VanDerWaalsContact C-N 3.31Å; P435-Q437 PolarHBondContact O-N 3.18Å; P435-F454 WeakPolarHBondContact CA-O 3.42Å; P435-F454 VanDerWaalsContact CB-O 3.32Å; P435-F454 WeakPolarHBondContact CB-O 3.48Å
436	L	85.1	Confident	72.9	Confident	8 Å²	8	73.8 Å²	73.8	4%	0.042	35%	0.354	C	S	.	.	S	Bend	trans	-68.3	-31.2	178.4	-66.8	178.5	0	0	0	113	V382 I410 Y429 I456	V382-L436 HydrophobicContact CG1-CD1 3.91Å; V382-L436 HydrophobicContact CG1-CD2 3.8Å; V382-L436 HydrophobicContact CG1-CG 4.5Å; V382-L436 HydrophobicContact CG2-CD1 4.05Å; I410-L436 HydrophobicContact CD1-CD2 3.94Å; Y429-L436 HydrophobicContact CD1-CD2 3.93Å; Y429-L436 HydrophobicContact CE1-CD2 4.11Å; L436-I456 HydrophobicContact CD1-CG2 3.69Å; L436-I456 HydrophobicContact CD2-CG2 4.26Å; L436-I456 HydrophobicContact CG-CG2 3.99Å
437	Q	73.2	Confident	70.8	Confident	82 Å²	82	76.2 Å²	76.2	38%	0.383	37%	0.367	S	S	.	.	S	Bend	trans	-117.3	153.2	-177.2	-68	-68.8	-22.6	0	0	111.6	W395 T397 R411 P435	W395-Q437 HydrophobicContact CE3-CG 4.28Å; T397-Q437 PolarHBondContact OG1-NE2 3.23Å; R411-Q437 VanDerWaalsContact NH2-C 3.31Å; R411-Q437 PolarHBondContact NH2-O 3.42Å; P435-Q437 VanDerWaalsContact C-N 3.31Å; P435-Q437 PolarHBondContact O-N 3.18Å
438	D	61.5	Low	68.7	Low	95 Å²	95	85.1 Å²	85.1	51%	0.508	41%	0.407	S	S	.	.			trans	-76.2	156.6	175.8	-92	-22.2	0	0	0	113.2	R411 S440	R411-D438 IonicContact CZ-OD1 2.77Å; R411-D438 IonicContact NH1-OD1 3.91Å; R411-D438 PolarHBondContact NH1-OD1 3.37Å; R411-D438 IonicContact NH2-OD1 3.13Å; R411-D438 PolarHBondContact NH2-OD1 3.15Å; D438-S440 PolarHBondContact O-N 2.62Å
439	L	50.9	Low	66.5	Low	103 Å²	103	94.1 Å²	94.1	54%	0.539	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-8.8	-172.2	-68.2	164.6	0	0	0	115.3	I441 K442 E443	L439-I441 PolarHBondContact O-N 3.1Å; L439-K442 HydrophobicContact CD2-CD 3.47Å; L439-K442 VanDerWaalsContact CD2-CD 3.47Å; L439-K442 HydrophobicContact CD2-CG 4.12Å; L439-K442 WeakPolarHBondContact O-CA 3.44Å; L439-K442 VanDerWaalsContact O-CB 3.26Å; L439-K442 WeakPolarHBondContact O-CB 3.29Å; L439-K442 PolarHBondContact O-N 3.22Å; L439-E443 PolarHBondContact O-N 3.14Å
440	S	48.1	Very low	64.2	Low	74 Å²	74	96.6 Å²	96.6	52%	0.517	46%	0.458	S	S	.	.	H	α-helix	trans	-61.8	-27.3	-177.1	63.4	0	0	0	0	113.3	D438 E443 Q444	D438-S440 PolarHBondContact O-N 2.62Å; S440-E443 PolarHBondContact O-N 3.35Å; S440-Q444 PolarHBondContact O-N 2.85Å
441	I	51.6	Low	62	Low	43 Å²	43	105.2 Å²	105.2	22%	0.221	49%	0.488	C	S	.	.	H	α-helix	trans	-73.6	-30.1	171.9	-59.6	-178	0	0	0	111.4	W395 L439 E443 Q444 L445	W395-I441 HydrophobicContact CE3-CD1 4.48Å; W395-I441 HydrophobicContact CH2-CD1 3.41Å; W395-I441 VanDerWaalsContact CH2-CD1 3.41Å; W395-I441 HydrophobicContact CH2-CG1 4.5Å; W395-I441 HydrophobicContact CH2-CG2 3.74Å; W395-I441 HydrophobicContact CZ2-CD1 4.38Å; W395-I441 HydrophobicContact CZ2-CG2 4.2Å; W395-I441 HydrophobicContact CZ3-CD1 3.44Å; W395-I441 VanDerWaalsContact CZ3-CD1 3.44Å; L439-I441 PolarHBondContact O-N 3.1Å; I441-E443 VanDerWaalsContact C-N 3.28Å; I441-E443 PolarHBondContact O-N 2.68Å; I441-Q444 WeakPolarHBondContact O-CB 3.25Å; I441-Q444 PolarHBondContact O-N 3.45Å; I441-L445 HydrophobicContact CG2-CD1 4.09Å; I441-L445 PolarHBondContact O-N 3.02Å; I441-L445 VanDerWaalsContact O-N 3.16Å
442	K	50.8	Low	60.4	Low	56 Å²	56	103.7 Å²	103.7	24%	0.243	49%	0.493	C	S	.	.	H	α-helix	trans	-65.8	-32.6	174.4	-59	-159.6	-172.2	-177.4	0	111.9	L439 Q444 L445 K446 F454	L439-K442 HydrophobicContact CD2-CD 3.47Å; L439-K442 VanDerWaalsContact CD2-CD 3.47Å; L439-K442 HydrophobicContact CD2-CG 4.12Å; L439-K442 WeakPolarHBondContact O-CA 3.44Å; L439-K442 VanDerWaalsContact O-CB 3.26Å; L439-K442 WeakPolarHBondContact O-CB 3.29Å; L439-K442 PolarHBondContact O-N 3.22Å; K442-Q444 VanDerWaalsContact C-N 3.34Å; K442-L445 PolarHBondContact O-N 3.13Å; K442-K446 PolarHBondContact O-N 3.38Å; K442-F454 HydrophobicContact CD-CE2 4.4Å
443	E	50.6	Low	58.9	Low	160 Å²	160	100.9 Å²	100.9	75%	0.748	49%	0.489	S	S	*	.	H	α-helix	trans	-67.3	-36.1	173.8	-66.5	-172.6	152.1	0	0	111.8	L439 S440 I441 L445	L439-E443 PolarHBondContact O-N 3.14Å; S440-E443 PolarHBondContact O-N 3.35Å; I441-E443 VanDerWaalsContact C-N 3.28Å; I441-E443 PolarHBondContact O-N 2.68Å; E443-L445 VanDerWaalsContact C-N 3.31Å; E443-L445 PolarHBondContact O-N 3.34Å
444	Q	50.7	Low	58	Low	163 Å²	163	99.1 Å²	99.1	76%	0.762	48%	0.48	S	S	*	.	H	α-helix	trans	-67.4	-30	174.2	-67.4	-175.6	-2.9	0	0	112.7	S440 I441 K442	S440-Q444 PolarHBondContact O-N 2.85Å; I441-Q444 WeakPolarHBondContact O-CB 3.25Å; I441-Q444 PolarHBondContact O-N 3.45Å; K442-Q444 VanDerWaalsContact C-N 3.34Å
445	L	55.6	Low	57.8	Low	64 Å²	64	98.2 Å²	98.2	34%	0.335	48%	0.476	S	S	.	.	H	α-helix	trans	-95.6	1.7	-176.9	-68.9	167	0	0	0	115.2	I388 K389 I441 K442 E443 D447	I388-L445 HydrophobicContact CD1-CD1 3.52Å; I388-L445 HydrophobicContact CG2-CD1 4.13Å; K389-L445 PolarHBondContact NZ-O 3.24Å; I441-L445 HydrophobicContact CG2-CD1 4.09Å; I441-L445 PolarHBondContact O-N 3.02Å; I441-L445 VanDerWaalsContact O-N 3.16Å; K442-L445 PolarHBondContact O-N 3.13Å; E443-L445 VanDerWaalsContact C-N 3.31Å; E443-L445 PolarHBondContact O-N 3.34Å; L445-D447 VanDerWaalsContact C-N 3.29Å; L445-D447 PolarHBondContact O-N 3.22Å; L445-D447 VanDerWaalsContact O-N 3.14Å
446	K	51.4	Low	58.1	Low	187 Å²	187	97.1 Å²	97.1	81%	0.813	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	38.6	53.5	175.6	-72.4	-173	177.9	178.5	0	113.1	K442	K442-K446 PolarHBondContact O-N 3.38Å
447	D	53	Low	58.3	Low	51 Å²	51	100.3 Å²	100.3	27%	0.273	49%	0.489	S	S	.	.			trans	-113.4	103	174.3	-169.4	0.7	0	0	0	110.8	L445 R449 S450	L445-D447 VanDerWaalsContact C-N 3.29Å; L445-D447 PolarHBondContact O-N 3.22Å; L445-D447 VanDerWaalsContact O-N 3.14Å; D447-R449 VanDerWaalsContact C-N 3.34Å; D447-R449 PolarHBondContact OD1-N 2.86Å; D447-S450 PolarHBondContact OD1-N 3.43Å; D447-S450 VanDerWaalsContact OD2-CB 3.27Å; D447-S450 WeakPolarHBondContact OD2-CB 3.3Å; D447-S450 PolarHBondContact OD2-OG 3.42Å
448	Q	49.4	Very low	59.3	Low	195 Å²	195	99.5 Å²	99.5	91%	0.911	49%	0.489	S	S	*	.	S	Bend	trans	-81.8	-9.9	173.2	-72.3	-177.8	-5	0	0	113
449	R	46.5	Very low	60.9	Low	237 Å²	237	97.4 Å²	97.4	89%	0.894	48%	0.481	S	S	*	.	S	Bend	trans	-102.5	-16.3	-170.4	-70.4	-173.1	-178.3	177.6	1.5	114.5	D447 R451	D447-R449 VanDerWaalsContact C-N 3.34Å; D447-R449 PolarHBondContact OD1-N 2.86Å; R449-R451 PolarHBondContact O-N 2.92Å
450	S	45.2	Very low	63	Low	51 Å²	51	94 Å²	94	36%	0.357	46%	0.463	S	S	.	.			trans	-90.9	78.3	174.6	-58.6	0	0	0	0	111.4	D447 A452	D447-S450 PolarHBondContact OD1-N 3.43Å; D447-S450 VanDerWaalsContact OD2-CB 3.27Å; D447-S450 WeakPolarHBondContact OD2-CB 3.3Å; D447-S450 PolarHBondContact OD2-OG 3.42Å; S450-A452 PolarHBondContact O-N 2.87Å
451	R	44.5	Very low	65.1	Low	236 Å²	236	93.3 Å²	93.3	89%	0.891	46%	0.456	S	S	*	.			trans	-70.8	-5.5	167.2	-92	-175.5	176	168.3	-1.2	113.3	R449 L453	R449-R451 PolarHBondContact O-N 2.92Å; R451-L453 PolarHBondContact O-N 3.06Å
452	A	53.7	Low	66.9	Low	71 Å²	71	92.1 Å²	92.1	59%	0.587	45%	0.45	S	S	*	.			trans	-62.3	110.5	170.9	0	0	0	0	0	108.2	S450 F454	S450-A452 PolarHBondContact O-N 2.87Å; A452-F454 PolarHBondContact O-N 2.84Å
453	L	56.2	Low	68.4	Low	97 Å²	97	92.7 Å²	92.7	51%	0.508	46%	0.459	S	S	.	.			trans	-67.9	122.7	170.8	-70	162.5	0	0	0	106.5	R451 C455	R451-L453 PolarHBondContact O-N 3.06Å; L453-C455 PolarHBondContact O-N 2.82Å; L453-C455 VanDerWaalsContact O-N 3.11Å; L453-C455 PolarHBondContact O-SG 2.84Å
454	F	68.3	Low	69.7	Low	54 Å²	54	90.4 Å²	90.4	24%	0.237	45%	0.449	C	S	.	.			trans	-77	98.8	-176.2	-53.8	-75.9	0	0	0	109	E386 P435 K442 A452	E386-F454 VanDerWaalsContact CD-CB 3.47Å; E386-F454 HydrophobicContact CG-CB 4.29Å; E386-F454 HydrophobicContact CG-CD1 4.39Å; E386-F454 WeakPolarHBondContact OE1-CB 3.23Å; P435-F454 WeakPolarHBondContact CA-O 3.42Å; P435-F454 VanDerWaalsContact CB-O 3.32Å; P435-F454 WeakPolarHBondContact CB-O 3.48Å; K442-F454 HydrophobicContact CD-CE2 4.4Å; A452-F454 PolarHBondContact O-N 2.84Å
455	C	82.1	Confident	70.9	Confident	12 Å²	12	85.9 Å²	85.9	8%	0.081	43%	0.427	C	S	.	.	B	Isolated β-bridge	trans	-113.4	152	-173.2	-52.9	0	0	0	0	109.6	Q433 L453 V457	Q433-C455 VanDerWaalsContact CA-SG 3.55Å; Q433-C455 HydrophobicContact CB-CB 4.41Å; Q433-C455 PolarHBondContact O-SG 3.35Å; L453-C455 PolarHBondContact O-N 2.82Å; L453-C455 VanDerWaalsContact O-N 3.11Å; L453-C455 PolarHBondContact O-SG 2.84Å; C455-V457 PolarHBondContact O-N 3.48Å
456	I	90.7	Very high	71.7	Confident	0 Å²	0	86.6 Å²	86.6	0%	0	43%	0.43	C	S	.	.			trans	-68.7	126.8	166.4	56.4	172.3	0	0	0	108.7	F369 V382 I426 Q430 L436	F369-I456 HydrophobicContact CB-CB 3.97Å; F369-I456 HydrophobicContact CB-CG2 3.62Å; F369-I456 HydrophobicContact CD1-CB 3.66Å; F369-I456 HydrophobicContact CD1-CG2 4.31Å; F369-I456 HydrophobicContact CD2-CB 4.43Å; F369-I456 HydrophobicContact CD2-CD1 4.35Å; F369-I456 HydrophobicContact CE1-CB 4.21Å; F369-I456 HydrophobicContact CE2-CD1 4.38Å; F369-I456 HydrophobicContact CG-CB 3.77Å; F369-I456 HydrophobicContact CG-CG2 3.93Å; V382-I456 HydrophobicContact CG2-CG2 4.43Å; I426-I456 HydrophobicContact CD1-CD1 4.03Å; I426-I456 HydrophobicContact CG2-CD1 4.07Å; Q430-I456 HydrophobicContact CG-CD1 4.25Å; Q430-I456 HydrophobicContact CG-CG1 4.04Å; L436-I456 HydrophobicContact CD1-CG2 3.69Å; L436-I456 HydrophobicContact CD2-CG2 4.26Å; L436-I456 HydrophobicContact CG-CG2 3.99Å
457	V	90.6	Very high	73.1	Confident	75 Å²	75	81.8 Å²	81.8	46%	0.455	41%	0.409	S	S	.	.			trans	-126.6	-56.6	-174.9	-179.9	0	0	0	0	110	G367 Q430 C455 P459	G367-V457 PolarHBondContact O-N 2.89Å; Q430-V457 PolarHBondContact NE2-O 3.31Å; Q430-V457 VanDerWaalsContact NE2-O 3.16Å; C455-V457 PolarHBondContact O-N 3.48Å; V457-P459 WeakPolarHBondContact O-CD 3.42Å
458	T	93.4	Very high	74.6	Confident	65 Å²	65	80.8 Å²	80.8	40%	0.399	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	108	-169.7	-53.3	0	0	0	0	110.3	G367 D368 F369 I460	G367-T458 PolarHBondContact O-N 2.84Å; D368-T458 CarbonylContact C-O 3.57Å; D368-T458 VanDerWaalsContact CA-O 3.32Å; D368-T458 WeakPolarHBondContact CA-O 3.44Å; F369-T458 VanDerWaalsContact CD1-C 3.49Å; F369-T458 VanDerWaalsContact CD1-O 3.28Å; F369-T458 WeakPolarHBondContact CD1-O 3.48Å; F369-T458 PolarHBondContact N-O 2.78Å; T458-I460 PolarHBondContact O-N 3.36Å
459	P	95.5	Very high	76.3	Confident	51 Å²	51	72.9 Å²	72.9	33%	0.331	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	125.4	173.7	25.6	-30.4	0	0	0	110.1	Y349 F369 V457	Y349-P459 HydrophobicContact CD1-CB 3.48Å; Y349-P459 VanDerWaalsContact CD1-CB 3.48Å; Y349-P459 HydrophobicContact CD1-CG 4.37Å; Y349-P459 HydrophobicContact CE1-CB 4.32Å; Y349-P459 HydrophobicContact CG-CB 3.83Å; F369-P459 VanDerWaalsContact CE1-CA 3.44Å; F369-P459 HydrophobicContact CE1-CB 3.74Å; F369-P459 HydrophobicContact CE1-CG 4.28Å; F369-P459 VanDerWaalsContact CE1-N 3.27Å; F369-P459 HydrophobicContact CE2-CB 4.33Å; F369-P459 HydrophobicContact CZ-CB 3.64Å; F369-P459 HydrophobicContact CZ-CG 4.39Å; V457-P459 WeakPolarHBondContact O-CD 3.42Å
460	I	95.1	Very high	78.2	Confident	33 Å²	33	64.4 Å²	64.4	17%	0.169	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-81.1	122	170.2	-62	-49.7	0	0	0	108.6	Y349 H351 R362 L363 D368 F369 L370 T458	Y349-I460 VanDerWaalsContact CA-O 3.25Å; Y349-I460 WeakPolarHBondContact CA-O 3.32Å; Y349-I460 WeakPolarHBondContact CB-O 3.5Å; H351-I460 PolarHBondContact NE2-O 2.8Å; R362-I460 HydrophobicContact CB-CG2 4.36Å; L363-I460 HydrophobicContact CD2-CG1 3.92Å; D368-I460 HydrophobicContact CB-CD1 3.97Å; D368-I460 HydrophobicContact CB-CG1 3.9Å; F369-I460 PolarHBondContact O-N 3.1Å; L370-I460 HydrophobicContact CB-CB 4.47Å; T458-I460 PolarHBondContact O-N 3.36Å
461	V	91.5	Very high	80.3	Confident	59 Å²	59	62.5 Å²	62.5	36%	0.358	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-78.5	132.3	-178.3	-179.3	0	0	0	0	110.1	P348 P463 H465 M466	P348-V461 HydrophobicContact CB-CG1 4.29Å; P348-V461 HydrophobicContact CB-CG2 4.36Å; P348-V461 CarbonylContact O-C 3.56Å; P348-V461 VanDerWaalsContact O-CA 3.28Å; P348-V461 WeakPolarHBondContact O-CA 3.26Å; V461-P463 WeakPolarHBondContact O-CD 3.21Å; V461-H465 HydrophobicContact CG1-CB 4.41Å; V461-M466 HydrophobicContact CG1-CE 3.7Å; V461-M466 HydrophobicContact CG1-CG 4.33Å
462	N	89.7	Confident	82.3	Confident	18 Å²	18	53.7 Å²	53.7	10%	0.096	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-63	123.6	174.7	-173.4	-1.2	0	0	0	109.8	P348 Y350 H351 R362 E464 H465	P348-N462 PolarHBondContact O-N 3.15Å; Y350-N462 WeakPolarHBondContact O-CB 3.32Å; Y350-N462 PolarHBondContact O-ND2 2.98Å; H351-N462 WeakPolarHBondContact NE2-CA 3.21Å; H351-N462 PolarHBondContact NE2-N 3.44Å; R362-N462 PolarHBondContact NH1-OD1 2.78Å; N462-E464 PolarHBondContact O-N 2.99Å; N462-E464 VanDerWaalsContact O-N 3.11Å; N462-E464 PolarHBondContact OD1-N 3.4Å; N462-H465 WeakPolarHBondContact O-CB 3.34Å; N462-H465 PolarHBondContact O-N 3.44Å
463	P	82.4	Confident	83.5	Confident	68 Å²	68	55.6 Å²	55.6	44%	0.442	29%	0.288	S	S	.	.	H	α-helix	trans	-55.3	-29.6	177.8	-27.8	36.4	0	0	0	114	R362 V461 H465 M466 K467	R362-P463 VanDerWaalsContact NH1-CD 3.34Å; V461-P463 WeakPolarHBondContact O-CD 3.21Å; P463-H465 PolarHBondContact O-N 3.27Å; P463-M466 PolarHBondContact O-N 2.6Å; P463-K467 PolarHBondContact O-N 2.96Å
464	E	78.9	Confident	84.6	Confident	112 Å²	112	52.5 Å²	52.5	52%	0.523	27%	0.273	S	S	.	.	H	α-helix	trans	-63.1	-27.5	176.2	-64.1	-56.3	133.9	0	0	112.7	N462 M466	N462-E464 PolarHBondContact O-N 2.99Å; N462-E464 VanDerWaalsContact O-N 3.11Å; N462-E464 PolarHBondContact OD1-N 3.4Å; E464-M466 PolarHBondContact O-N 2.98Å
465	H	74.6	Confident	85	Confident	67 Å²	67	56.7 Å²	56.7	31%	0.31	30%	0.297	S	S	.	.	H	α-helix	trans	-67.5	-26.9	171.8	-76.8	-61.7	0	0	0	112.7	L347 P348 V461 N462 P463	L347-H465 PolarHBondContact O-NE2 3.11Å; L347-H465 VanDerWaalsContact O-NE2 3.1Å; P348-H465 PolarHBondContact O-CD2 3.08Å; V461-H465 HydrophobicContact CG1-CB 4.41Å; N462-H465 WeakPolarHBondContact O-CB 3.34Å; N462-H465 PolarHBondContact O-N 3.44Å; P463-H465 PolarHBondContact O-N 3.27Å
466	M	74	Confident	85	Confident	79 Å²	79	58.2 Å²	58.2	39%	0.389	31%	0.308	S	S	.	.	H	α-helix	trans	-95.9	-26.3	-177.1	-63.5	-65	160.6	0	0	112.5	V461 P463 E464 N468 I469 N470	V461-M466 HydrophobicContact CG1-CE 3.7Å; V461-M466 HydrophobicContact CG1-CG 4.33Å; P463-M466 PolarHBondContact O-N 2.6Å; E464-M466 PolarHBondContact O-N 2.98Å; M466-N468 PolarHBondContact O-N 3.5Å; M466-N468 VanDerWaalsContact O-N 3.14Å; M466-I469 WeakPolarHBondContact O-CG1 3.27Å; M466-I469 PolarHBondContact O-N 2.97Å; M466-I469 VanDerWaalsContact O-N 3.08Å; M466-I469 HydrophobicContact SD-CD1 3.62Å; M466-I469 HydrophobicContact SD-CG1 4.31Å; M466-N470 PolarHBondContact O-N 2.81Å
467	K	80.5	Confident	84.8	Confident	87 Å²	87	59.7 Å²	59.7	38%	0.378	32%	0.317	S	S	.	.	H	α-helix	trans	-51.6	-40.9	-177.5	-176	-174.5	175.3	-172.4	0	112.9	P463 I469	P463-K467 PolarHBondContact O-N 2.96Å; K467-I469 PolarHBondContact O-N 2.82Å
468	N	83.9	Confident	84.7	Confident	29 Å²	29	61.2 Å²	61.2	16%	0.155	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-11.7	-174.8	-67.7	-35	0	0	0	114.7	M466 K558 V561 R573 N574	M466-N468 PolarHBondContact O-N 3.5Å; M466-N468 VanDerWaalsContact O-N 3.14Å; N468-K558 WeakPolarHBondContact O-CD 3.3Å; N468-V561 HydrophobicContact CB-CG1 4.24Å; N468-R573 WeakPolarHBondContact CB-O 3.28Å; N468-R573 VanDerWaalsContact CG-O 3.3Å; N468-R573 PolarHBondContact ND2-O 2.84Å; N468-N574 PolarHBondContact ND2-OD1 2.76Å
469	I	85.9	Confident	84.5	Confident	29 Å²	29	64.4 Å²	64.4	15%	0.149	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.9	-13.1	-179	61.3	171.6	0	0	0	113.7	L65 P66 M466 K467 V561 R562	L65-I469 HydrophobicContact CD2-CB 4.25Å; L65-I469 HydrophobicContact CD2-CD1 3.51Å; L65-I469 HydrophobicContact CD2-CG1 3.68Å; P66-I469 WeakPolarHBondContact CD-O 3.5Å; M466-I469 WeakPolarHBondContact O-CG1 3.27Å; M466-I469 PolarHBondContact O-N 2.97Å; M466-I469 VanDerWaalsContact O-N 3.08Å; M466-I469 HydrophobicContact SD-CD1 3.62Å; M466-I469 HydrophobicContact SD-CG1 4.31Å; K467-I469 PolarHBondContact O-N 2.82Å; I469-V561 HydrophobicContact CG2-CB 4.42Å; I469-V561 HydrophobicContact CG2-CG1 3.79Å; I469-R562 HydrophobicContact CB-CB 4.49Å; I469-R562 HydrophobicContact CG2-CB 4.21Å
470	N	86.6	Confident	84.2	Confident	60 Å²	60	62.1 Å²	62.1	32%	0.321	31%	0.314	S	S	.	.	S	Bend	trans	-71.6	137.8	175.1	-71.1	-15.5	0	0	0	110.5	H64 M466 K558	H64-N470 WeakPolarHBondContact O-CA 3.21Å; M466-N470 PolarHBondContact O-N 2.81Å; N470-K558 WeakPolarHBondContact O-CD 3.39Å; N470-K558 WeakPolarHBondContact O-CE 3.39Å
471	V	87.5	Confident	84	Confident	11 Å²	11	61.2 Å²	61.2	7%	0.067	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-78.6	132.1	176.5	176.9	0	0	0	0	110.5	L61 H64 P66 D554 Q555 K558	L61-V471 HydrophobicContact CD1-CB 3.84Å; L61-V471 HydrophobicContact CD1-CG1 3.71Å; L61-V471 HydrophobicContact CD1-CG2 4.34Å; L61-V471 HydrophobicContact CD2-CB 4.06Å; L61-V471 HydrophobicContact CD2-CG1 4.32Å; L61-V471 HydrophobicContact CD2-CG2 3.62Å; H64-V471 PolarHBondContact O-N 3.38Å; P66-V471 HydrophobicContact CB-CG2 3.89Å; P66-V471 HydrophobicContact CG-CG2 4.28Å; V471-D554 WeakPolarHBondContact CA-OD2 3.38Å; V471-D554 VanDerWaalsContact CG1-OD2 3.22Å; V471-D554 WeakPolarHBondContact CG1-OD2 3.3Å; V471-Q555 HydrophobicContact CG1-CG 3.89Å; V471-Q555 HydrophobicContact CG2-CG 4.22Å; V471-K558 HydrophobicContact CG2-CB 4.16Å; V471-K558 HydrophobicContact CG2-CG 4.23Å
472	E	87	Confident	84.2	Confident	50 Å²	50	58.4 Å²	58.4	23%	0.234	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-84.9	118.1	170.9	-66.2	-179.9	-142.9	0	0	108.9	T474 L480 S481 D554	E472-T474 PolarHBondContact O-N 3.21Å; E472-L480 HydrophobicContact CB-CD2 3.89Å; E472-S481 VanDerWaalsContact CD-OG 3.26Å; E472-S481 PolarHBondContact OE1-OG 3.27Å; E472-S481 WeakPolarHBondContact OE2-CB 3.17Å; E472-S481 PolarHBondContact OE2-N 2.87Å; E472-S481 PolarHBondContact OE2-OG 2.6Å; E472-S481 VanDerWaalsContact OE2-OG 3.12Å; E472-D554 PolarHBondContact N-OD2 3.23Å
473	Y	79.2	Confident	84.4	Confident	112 Å²	112	58.1 Å²	58.1	44%	0.439	29%	0.292	S	S	.	.			trans	-82.2	105.2	178.8	-64.8	-95.7	0	0	0	109.3	L61 H64	L61-Y473 WeakPolarHBondContact CB-OH 3.28Å; L61-Y473 HydrophobicContact CD1-CD1 4.22Å; L61-Y473 HydrophobicContact CD1-CE1 3.3Å; L61-Y473 HydrophobicContact CD1-CE2 4.13Å; L61-Y473 WeakPolarHBondContact CD1-OH 3.31Å; H64-Y473 HydrophobicContact CB-CE2 4.32Å; H64-Y473 AromaticContact CE1-CE2 3.97Å; H64-Y473 AromaticContact ND1-CE2 3.13Å; H64-Y473 WeakPolarHBondContact ND1-CE2 3.48Å; H64-Y473 AromaticContact ND1-CZ 3.41Å; H64-Y473 PolarHBondContact ND1-OH 3.46Å
474	T	80.2	Confident	84.9	Confident	32 Å²	32	55.5 Å²	55.5	20%	0.196	27%	0.274	C	S	.	.			trans	-141.9	148.9	172.8	171	0	0	0	0	110.2	E472 C476 E479 L480	E472-T474 PolarHBondContact O-N 3.21Å; T474-C476 VanDerWaalsContact C-N 3.34Å; T474-C476 WeakPolarHBondContact CG2-O 3.5Å; T474-C476 PolarHBondContact OG1-N 3.28Å; T474-C476 VanDerWaalsContact OG1-N 3.09Å; T474-C476 PolarHBondContact OG1-O 3Å; T474-E479 HydrophobicContact CG2-CB 4.34Å; T474-E479 WeakPolarHBondContact OG1-CB 3.43Å; T474-E479 PolarHBondContact OG1-OE2 3.32Å; T474-L480 HydrophobicContact CG2-CD2 3.36Å; T474-L480 HydrophobicContact CG2-CG 3.85Å
475	D	75.3	Confident	85.5	Confident	141 Å²	141	51 Å²	51	75%	0.754	26%	0.257	S	S	*	.	S	Bend	trans	-79.2	-16	175	-69.8	-37.5	0	0	0	112.7	H55	H55-D475 IonicContact CE1-OD1 2.83Å; H55-D475 PolarHBondContact CE1-OD1 2.91Å; H55-D475 VanDerWaalsContact CE1-OD1 3.27Å; H55-D475 IonicContact NE2-OD1 3.25Å
476	C	82.6	Confident	86.3	Confident	44 Å²	44	52.3 Å²	52.3	30%	0.297	27%	0.274	S	S	.	.	S	Bend	trans	-136.5	150	-179	70	0	0	0	0	112.7	T474 E478 E479	T474-C476 VanDerWaalsContact C-N 3.34Å; T474-C476 WeakPolarHBondContact CG2-O 3.5Å; T474-C476 PolarHBondContact OG1-N 3.28Å; T474-C476 VanDerWaalsContact OG1-N 3.09Å; T474-C476 PolarHBondContact OG1-O 3Å; C476-E478 VanDerWaalsContact C-N 3.26Å; C476-E478 PolarHBondContact O-N 2.92Å; C476-E479 PolarHBondContact O-N 3.24Å; C476-E479 WeakPolarHBondContact SG-CG 3.43Å
477	V	86.6	Confident	87.2	Confident	32 Å²	32	49.4 Å²	49.4	19%	0.194	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-70.8	-29.4	-174.1	178.4	0	0	0	0	110.9	E479 L480 H483 L504 P512 I553	V477-E479 PolarHBondContact O-N 3.37Å; V477-L480 HydrophobicContact CG1-CD1 4.06Å; V477-L480 WeakPolarHBondContact O-CB 3.48Å; V477-L480 WeakPolarHBondContact O-CG 3.14Å; V477-L480 PolarHBondContact O-N 3.07Å; V477-H483 WeakPolarHBondContact O-CB 3.2Å; V477-L504 HydrophobicContact CG1-CD1 4.22Å; V477-P512 HydrophobicContact CG1-CB 3.9Å; V477-P512 HydrophobicContact CG1-CG 4.09Å; V477-I553 HydrophobicContact CG1-CD1 4.16Å; V477-I553 HydrophobicContact CG2-CB 4.4Å; V477-I553 HydrophobicContact CG2-CD1 3.71Å; V477-I553 HydrophobicContact CG2-CG1 4.26Å
478	E	88.5	Confident	87.8	Confident	107 Å²	107	48.2 Å²	48.2	50%	0.5	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-68.4	-18.6	-179.8	-63.9	72.6	-161.3	0	0	113.4	C476	C476-E478 VanDerWaalsContact C-N 3.26Å; C476-E478 PolarHBondContact O-N 2.92Å
479	E	88.1	Confident	88.3	Confident	132 Å²	132	51.9 Å²	51.9	62%	0.617	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-87.1	-7.7	176.5	-88.2	173.5	-163.7	0	0	113.1	T474 C476 V477 S481	T474-E479 HydrophobicContact CG2-CB 4.34Å; T474-E479 WeakPolarHBondContact OG1-CB 3.43Å; T474-E479 PolarHBondContact OG1-OE2 3.32Å; C476-E479 PolarHBondContact O-N 3.24Å; C476-E479 WeakPolarHBondContact SG-CG 3.43Å; V477-E479 PolarHBondContact O-N 3.37Å; E479-S481 PolarHBondContact O-N 3.44Å
480	L	90.9	Very high	88.7	Confident	3 Å²	3	52.9 Å²	52.9	2%	0.016	30%	0.299	C	S	.	.	S	Bend	trans	-64.1	135.1	176.3	-66.4	173.9	0	0	0	110.3	E472 T474 V477 Y482 H483 L504 D554	E472-L480 HydrophobicContact CB-CD2 3.89Å; T474-L480 HydrophobicContact CG2-CD2 3.36Å; T474-L480 HydrophobicContact CG2-CG 3.85Å; V477-L480 HydrophobicContact CG1-CD1 4.06Å; V477-L480 WeakPolarHBondContact O-CB 3.48Å; V477-L480 WeakPolarHBondContact O-CG 3.14Å; V477-L480 PolarHBondContact O-N 3.07Å; L480-Y482 HydrophobicContact CB-CD1 4.39Å; L480-Y482 HydrophobicContact CB-CE1 4.15Å; L480-Y482 HydrophobicContact CD2-CE1 4.46Å; L480-Y482 PolarHBondContact O-N 3.29Å; L480-H483 HydrophobicContact CB-CB 4.3Å; L480-H483 PolarHBondContact O-N 2.95Å; L480-L504 HydrophobicContact CD1-CD1 3.64Å; L480-D554 HydrophobicContact CD1-CB 4.06Å; L480-D554 HydrophobicContact CD2-CB 3.58Å
481	S	90.9	Very high	89.1	Confident	14 Å²	14	52.4 Å²	52.4	10%	0.098	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-10.7	-173.2	74.2	0	0	0	0	115.1	E472 E479 Q577 E578	E472-S481 VanDerWaalsContact CD-OG 3.26Å; E472-S481 PolarHBondContact OE1-OG 3.27Å; E472-S481 WeakPolarHBondContact OE2-CB 3.17Å; E472-S481 PolarHBondContact OE2-N 2.87Å; E472-S481 PolarHBondContact OE2-OG 2.6Å; E472-S481 VanDerWaalsContact OE2-OG 3.12Å; E479-S481 PolarHBondContact O-N 3.44Å; S481-Q577 CarbonylContact O-C 3.56Å; S481-Q577 WeakPolarHBondContact O-CA 3.39Å; S481-Q577 PolarHBondContact OG-NE2 3.16Å; S481-Q577 VanDerWaalsContact OG-NE2 3.08Å; S481-E578 PolarHBondContact O-N 2.87Å
482	Y	94	Very high	89.5	Confident	0 Å²	0	52 Å²	52	0%	0	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.2	17.8	-177.5	61.4	-84.9	0	0	0	113	L480 F484 Y502 L504 D554 V557 A575 I576	L480-Y482 HydrophobicContact CB-CD1 4.39Å; L480-Y482 HydrophobicContact CB-CE1 4.15Å; L480-Y482 HydrophobicContact CD2-CE1 4.46Å; L480-Y482 PolarHBondContact O-N 3.29Å; Y482-F484 WeakPolarHBondContact O-CD2 3.15Å; Y482-Y502 HydrophobicContact CD2-CD2 4.07Å; Y482-Y502 AromaticContact CD2-CE2 3.72Å; Y482-Y502 HydrophobicContact CD2-CE2 3.72Å; Y482-Y502 HydrophobicContact CE2-CD2 4.25Å; Y482-Y502 AromaticContact CE2-CE2 3.69Å; Y482-Y502 HydrophobicContact CE2-CE2 3.69Å; Y482-Y502 HydrophobicContact CG-CE2 4.27Å; Y482-L504 HydrophobicContact CD2-CB 4.46Å; Y482-L504 HydrophobicContact CD2-CD1 4.03Å; Y482-L504 HydrophobicContact CD2-CG 3.89Å; Y482-L504 HydrophobicContact CE2-CD1 3.41Å; Y482-L504 VanDerWaalsContact CE2-CD1 3.41Å; Y482-L504 HydrophobicContact CE2-CG 3.57Å; Y482-L504 PolarHBondContact O-N 3.4Å; Y482-D554 WeakPolarHBondContact CE1-OD1 3.36Å; Y482-D554 VanDerWaalsContact CZ-OD1 3.25Å; Y482-D554 PolarHBondContact OH-OD1 2.89Å; Y482-V557 HydrophobicContact CE2-CG1 4.23Å; Y482-A575 HydrophobicContact CD1-CB 4.1Å; Y482-A575 HydrophobicContact CG-CB 4.03Å; Y482-I576 WeakPolarHBondContact CA-O 3.41Å; Y482-I576 WeakPolarHBondContact CB-O 3.39Å
483	H	94.2	Very high	89.8	Confident	11 Å²	11	53.8 Å²	53.8	5%	0.051	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-85.9	135.2	166.8	-173.8	-87.8	0	0	0	110.1	V477 L480 G485 L504 N506	V477-H483 WeakPolarHBondContact O-CB 3.2Å; L480-H483 HydrophobicContact CB-CB 4.3Å; L480-H483 PolarHBondContact O-N 2.95Å; H483-G485 VanDerWaalsContact CE1-CA 3.43Å; H483-G485 WeakPolarHBondContact CE1-CA 3.09Å; H483-G485 PolarHBondContact CE1-N 2.85Å; H483-G485 VanDerWaalsContact CE1-N 3.26Å; H483-G485 PolarHBondContact ND1-N 3.49Å; H483-G485 VanDerWaalsContact ND1-N 3.13Å; H483-L504 HydrophobicContact CB-CB 4.41Å; H483-N506 PolarHBondContact NE2-OD1 2.75Å
484	F	94.1	Very high	90.6	Very high	13 Å²	13	52.7 Å²	52.7	6%	0.057	31%	0.306	C	S	.	.			trans	-123.7	11	-177.6	-75.2	-102.4	0	0	0	112.6	Y482 S486 I487 L495 L503 L504 I576 E578 W581	Y482-F484 WeakPolarHBondContact O-CD2 3.15Å; F484-S486 PolarHBondContact O-N 3.13Å; F484-I487 HydrophobicContact CB-CD1 3.69Å; F484-I487 HydrophobicContact CB-CG1 3.93Å; F484-I487 HydrophobicContact CB-CG2 4.14Å; F484-I487 HydrophobicContact CD1-CD1 4.18Å; F484-I487 HydrophobicContact CG-CD1 4.06Å; F484-I487 WeakPolarHBondContact O-CG2 3.43Å; F484-L495 HydrophobicContact CD1-CD1 3.92Å; F484-L495 HydrophobicContact CE1-CD1 3.71Å; F484-L495 HydrophobicContact CZ-CD1 4.25Å; F484-L503 HydrophobicContact CD2-CB 3.77Å; F484-L503 HydrophobicContact CD2-CD1 4.41Å; F484-L503 HydrophobicContact CD2-CD2 4.07Å; F484-L503 HydrophobicContact CD2-CG 4.31Å; F484-L503 HydrophobicContact CE2-CB 3.87Å; F484-L503 HydrophobicContact CE2-CD2 4.18Å; F484-L503 HydrophobicContact CG-CD2 4.46Å; F484-L504 PolarHBondContact N-O 2.55Å; F484-I576 VanDerWaalsContact CE2-O 3.31Å; F484-I576 WeakPolarHBondContact CE2-O 3.32Å; F484-I576 HydrophobicContact CZ-CG2 4.09Å; F484-E578 HydrophobicContact CD1-CG 4.42Å; F484-E578 HydrophobicContact CE1-CB 4.2Å; F484-E578 HydrophobicContact CE1-CG 4.16Å; F484-E578 HydrophobicContact CE2-CB 4.43Å; F484-E578 HydrophobicContact CZ-CB 4.04Å; F484-W581 HydrophobicContact CE1-CB 4.33Å
485	G	91.4	Very high	91.3	Very high	17 Å²	17	52.2 Å²	52.2	18%	0.175	30%	0.302	C	S	.	.	S	Bend	trans	55	-133	-174.1	0	0	0	0	0	112.4	H483 R505 N506	H483-G485 VanDerWaalsContact CE1-CA 3.43Å; H483-G485 WeakPolarHBondContact CE1-CA 3.09Å; H483-G485 PolarHBondContact CE1-N 2.85Å; H483-G485 VanDerWaalsContact CE1-N 3.26Å; H483-G485 PolarHBondContact ND1-N 3.49Å; H483-G485 VanDerWaalsContact ND1-N 3.13Å; G485-R505 CarbonylContact O-C 3.51Å; G485-R505 VanDerWaalsContact O-CA 3.23Å; G485-R505 WeakPolarHBondContact O-CA 3.23Å; G485-N506 PolarHBondContact O-N 3.45Å
486	S	90.8	Very high	92.2	Very high	95 Å²	95	45.5 Å²	45.5	66%	0.664	27%	0.267	S	S	*	.	S	Bend	trans	-102.7	63.6	-176.5	-57.8	0	0	0	0	112.5	F484 N506	F484-S486 PolarHBondContact O-N 3.13Å; S486-N506 PolarHBondContact OG-O 3.46Å
487	I	92.8	Very high	92.7	Very high	19 Å²	19	49.3 Å²	49.3	10%	0.097	28%	0.28	C	S	.	.			trans	-72.4	159.4	167.9	55.6	168.2	0	0	0	111.4	F484 E491 V492 L495 L503 R505	F484-I487 HydrophobicContact CB-CD1 3.69Å; F484-I487 HydrophobicContact CB-CG1 3.93Å; F484-I487 HydrophobicContact CB-CG2 4.14Å; F484-I487 HydrophobicContact CD1-CD1 4.18Å; F484-I487 HydrophobicContact CG-CD1 4.06Å; F484-I487 WeakPolarHBondContact O-CG2 3.43Å; I487-E491 HydrophobicContact CB-CB 4.21Å; I487-E491 HydrophobicContact CD1-CB 4.49Å; I487-V492 HydrophobicContact CD1-CG2 3.76Å; I487-V492 HydrophobicContact CG1-CG2 4.09Å; I487-L495 HydrophobicContact CD1-CD1 3.76Å; I487-L503 HydrophobicContact CD1-CD1 4.24Å; I487-L503 HydrophobicContact CD1-CD2 4.12Å; I487-R505 HydrophobicContact CD1-CG 4.23Å; I487-R505 HydrophobicContact CG1-CG 3.65Å; I487-R505 PolarHBondContact O-NE 3.48Å; I487-R505 PolarHBondContact O-NH2 2.59Å
488	S	93.7	Very high	92.9	Very high	61 Å²	61	56.7 Å²	56.7	43%	0.427	30%	0.304	S	S	.	.			trans	-81.4	157.4	179.1	63.2	0	0	0	0	112.9	G490 E491 V492	S488-G490 PolarHBondContact O-N 2.75Å; S488-E491 PolarHBondContact N-OE2 3.43Å; S488-E491 WeakPolarHBondContact O-CA 3.49Å; S488-E491 WeakPolarHBondContact O-CB 3.34Å; S488-E491 PolarHBondContact O-N 3.47Å; S488-E491 WeakPolarHBondContact OG-CG 3.38Å; S488-E491 PolarHBondContact OG-N 3.03Å; S488-E491 PolarHBondContact OG-OE2 3.49Å; S488-V492 WeakPolarHBondContact O-CG2 3.27Å; S488-V492 PolarHBondContact O-N 3.14Å
489	D	94.1	Very high	93.1	Very high	106 Å²	106	54.4 Å²	54.4	57%	0.567	30%	0.296	S	S	*	.	H	α-helix	trans	-59.5	-35.2	178.8	-59.1	-19.7	0	0	0	112.3	E491 V492 E493 R505	D489-E491 VanDerWaalsContact C-N 3.32Å; D489-E491 PolarHBondContact O-N 3.07Å; D489-V492 PolarHBondContact O-N 3.47Å; D489-E493 PolarHBondContact O-N 3.31Å; D489-R505 IonicContact OD1-CZ 3.66Å; D489-R505 VanDerWaalsContact OD1-CZ 3.26Å; D489-R505 IonicContact OD1-NH1 2.9Å; D489-R505 PolarHBondContact OD1-NH1 3.02Å; D489-R505 IonicContact OD1-NH2 3.43Å; D489-R505 PolarHBondContact OD1-NH2 3.46Å
490	G	94.7	Very high	93.4	Very high	50 Å²	50	48.1 Å²	48.1	52%	0.515	27%	0.266	S	S	.	.	H	α-helix	trans	-62.6	-36.6	173.6	0	0	0	0	0	112.9	S488 T494	S488-G490 PolarHBondContact O-N 2.75Å; G490-T494 WeakPolarHBondContact O-CG2 3.38Å; G490-T494 PolarHBondContact O-N 3.47Å
491	E	94.2	Very high	93.6	Very high	51 Å²	51	48.5 Å²	48.5	24%	0.238	27%	0.268	C	S	.	.	H	α-helix	trans	-69.3	-40.2	173.3	-73.2	166.3	126.8	0	0	111.2	I487 S488 D489 E493 T494 L495 R585	I487-E491 HydrophobicContact CB-CB 4.21Å; I487-E491 HydrophobicContact CD1-CB 4.49Å; S488-E491 PolarHBondContact N-OE2 3.43Å; S488-E491 WeakPolarHBondContact O-CA 3.49Å; S488-E491 WeakPolarHBondContact O-CB 3.34Å; S488-E491 PolarHBondContact O-N 3.47Å; S488-E491 WeakPolarHBondContact OG-CG 3.38Å; S488-E491 PolarHBondContact OG-N 3.03Å; S488-E491 PolarHBondContact OG-OE2 3.49Å; D489-E491 VanDerWaalsContact C-N 3.32Å; D489-E491 PolarHBondContact O-N 3.07Å; E491-E493 VanDerWaalsContact C-N 3.34Å; E491-E493 PolarHBondContact O-N 2.69Å; E491-T494 PolarHBondContact O-N 3.12Å; E491-T494 VanDerWaalsContact O-N 3.12Å; E491-T494 PolarHBondContact O-OG1 2.81Å; E491-L495 WeakPolarHBondContact O-CG 3.44Å; E491-L495 PolarHBondContact O-N 3.46Å; E491-R585 IonicContact OE1-NH2 3.91Å
492	V	95.4	Very high	93.9	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.006	26%	0.263	C	S	.	.	H	α-helix	trans	-60.3	-45	175.7	-169.7	0	0	0	0	111.4	I487 S488 D489 T494 L495 L496 L503 C515 I522	I487-V492 HydrophobicContact CD1-CG2 3.76Å; I487-V492 HydrophobicContact CG1-CG2 4.09Å; S488-V492 WeakPolarHBondContact O-CG2 3.27Å; S488-V492 PolarHBondContact O-N 3.14Å; D489-V492 PolarHBondContact O-N 3.47Å; V492-T494 PolarHBondContact O-N 2.65Å; V492-L495 PolarHBondContact O-N 3.47Å; V492-L496 HydrophobicContact CG1-CD1 3.44Å; V492-L496 VanDerWaalsContact CG1-CD1 3.44Å; V492-L496 HydrophobicContact CG1-CG 3.72Å; V492-L496 PolarHBondContact O-N 2.9Å; V492-L503 HydrophobicContact CG1-CD2 4.34Å; V492-C515 HydrophobicContact CG1-CB 4.08Å; V492-I522 HydrophobicContact CB-CD1 4.18Å; V492-I522 HydrophobicContact CG1-CD1 3.72Å; V492-I522 HydrophobicContact CG1-CG2 4.21Å
493	E	94.9	Very high	94	Very high	89 Å²	89	47.8 Å²	47.8	42%	0.416	26%	0.263	S	S	.	.	H	α-helix	trans	-59.7	-32.4	176.8	-164.9	70.8	-164.9	0	0	112	D489 E491 Q497 R517 I522	D489-E493 PolarHBondContact O-N 3.31Å; E491-E493 VanDerWaalsContact C-N 3.34Å; E491-E493 PolarHBondContact O-N 2.69Å; E493-Q497 PolarHBondContact O-NE2 2.86Å; E493-Q497 VanDerWaalsContact O-NE2 3.09Å; E493-R517 VanDerWaalsContact CD-NH1 3.29Å; E493-R517 IonicContact OE1-CZ 2.8Å; E493-R517 IonicContact OE1-NH1 3.56Å; E493-R517 PolarHBondContact OE1-NH1 3Å; E493-R517 IonicContact OE1-NH2 3.7Å; E493-R517 IonicContact OE2-NH1 3.27Å; E493-R517 PolarHBondContact OE2-NH1 3.33Å; E493-I522 HydrophobicContact CB-CD1 4.29Å; E493-I522 WeakPolarHBondContact OE2-CD1 3.41Å; E493-I522 WeakPolarHBondContact OE2-CG1 3.42Å
494	T	94.3	Very high	94.1	Very high	89 Å²	89	47.3 Å²	47.3	55%	0.546	26%	0.261	S	S	.	.	H	α-helix	trans	-77	-24.6	173.2	64.4	0	0	0	0	114.1	G490 E491 V492 Q497	G490-T494 WeakPolarHBondContact O-CG2 3.38Å; G490-T494 PolarHBondContact O-N 3.47Å; E491-T494 PolarHBondContact O-N 3.12Å; E491-T494 VanDerWaalsContact O-N 3.12Å; E491-T494 PolarHBondContact O-OG1 2.81Å; V492-T494 PolarHBondContact O-N 2.65Å; T494-Q497 PolarHBondContact O-NE2 2.98Å
495	L	94.9	Very high	94.2	Very high	22 Å²	22	47.7 Å²	47.7	12%	0.115	26%	0.262	C	S	.	.	H	α-helix	trans	-88.8	-43.9	-177.8	-73.6	172.9	0	0	0	112.4	F484 I487 E491 V492 Q497 L503 I576 W581	F484-L495 HydrophobicContact CD1-CD1 3.92Å; F484-L495 HydrophobicContact CE1-CD1 3.71Å; F484-L495 HydrophobicContact CZ-CD1 4.25Å; I487-L495 HydrophobicContact CD1-CD1 3.76Å; E491-L495 WeakPolarHBondContact O-CG 3.44Å; E491-L495 PolarHBondContact O-N 3.46Å; V492-L495 PolarHBondContact O-N 3.47Å; L495-Q497 PolarHBondContact O-N 2.87Å; L495-L503 HydrophobicContact CB-CD2 4.04Å; L495-L503 HydrophobicContact CD1-CD2 3.79Å; L495-I576 HydrophobicContact CB-CG2 4.47Å; L495-I576 HydrophobicContact CD2-CG2 4.35Å; L495-W581 HydrophobicContact CD2-CB 4.45Å; L495-W581 VanDerWaalsContact CD2-CD1 3.47Å; L495-W581 HydrophobicContact CD2-CG 4.09Å
496	L	96	Very high	94.3	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.26	C	S	.	.			trans	-91.5	87.5	-174.6	-52	-173.4	0	0	0	110.6	V492 D501 L503 C515 R517 I522 I576	V492-L496 HydrophobicContact CG1-CD1 3.44Å; V492-L496 VanDerWaalsContact CG1-CD1 3.44Å; V492-L496 HydrophobicContact CG1-CG 3.72Å; V492-L496 PolarHBondContact O-N 2.9Å; L496-D501 HydrophobicContact CB-CB 4.28Å; L496-D501 HydrophobicContact CD2-CB 4.1Å; L496-L503 HydrophobicContact CD1-CG 4.39Å; L496-L503 HydrophobicContact CD2-CB 4.36Å; L496-L503 HydrophobicContact CD2-CD2 3.71Å; L496-L503 HydrophobicContact CD2-CG 3.87Å; L496-L503 HydrophobicContact CG-CD2 4.12Å; L496-L503 HydrophobicContact CG-CG 4.36Å; L496-C515 HydrophobicContact CD1-CB 3.99Å; L496-R517 HydrophobicContact CB-CB 3.64Å; L496-R517 HydrophobicContact CD1-CB 4.48Å; L496-R517 WeakPolarHBondContact O-CD 3.4Å; L496-R517 WeakPolarHBondContact O-CG 3.19Å; L496-I522 HydrophobicContact CD1-CD1 4.42Å; L496-I522 HydrophobicContact CD1-CG2 4.34Å; L496-I576 HydrophobicContact CD2-CB 4.37Å; L496-I576 HydrophobicContact CD2-CG1 3.61Å
497	Q	92.3	Very high	94.4	Very high	124 Å²	124	44.9 Å²	44.9	58%	0.579	24%	0.236	S	C	*	.			trans	-92.1	-28.2	-171.3	-67	-60.3	-37	0	0	113.9	E493 T494 L495 D501	E493-Q497 PolarHBondContact O-NE2 2.86Å; E493-Q497 VanDerWaalsContact O-NE2 3.09Å; T494-Q497 PolarHBondContact O-NE2 2.98Å; L495-Q497 PolarHBondContact O-N 2.87Å; Q497-D501 PolarHBondContact N-OD2 2.82Å
498	R	91.5	Very high	94.2	Very high	186 Å²	186	52.3 Å²	52.3	70%	0.702	27%	0.27	S	S	*	.	S	Bend	trans	-119.3	158	-172.7	-54.5	175.8	176.6	178.6	-2.3	111.8	G500 D501 R517	R498-G500 PolarHBondContact O-N 2.79Å; R498-D501 WeakPolarHBondContact CA-OD2 3.25Å; R498-D501 WeakPolarHBondContact CB-OD2 3.49Å; R498-D501 PolarHBondContact N-OD2 2.96Å; R498-D501 VanDerWaalsContact O-CB 3.3Å; R498-D501 WeakPolarHBondContact O-CB 3.42Å; R498-D501 PolarHBondContact O-N 3.09Å; R498-R517 WeakPolarHBondContact O-CB 3.28Å; R498-R517 WeakPolarHBondContact O-CG 3.26Å
499	N	92.4	Very high	94.1	Very high	60 Å²	60	56.5 Å²	56.5	32%	0.321	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	123.9	175.5	-75.3	-43.9	0	0	0	111.9	V282 D501 G519	V282-N499 HydrophobicContact CG1-CB 4.41Å; V282-N499 HydrophobicContact CG2-CB 4.45Å; N499-D501 VanDerWaalsContact C-N 3.31Å; N499-G519 WeakPolarHBondContact OD1-CA 3.35Å; N499-G519 PolarHBondContact OD1-N 3.11Å
500	G	93.7	Very high	93.9	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.1	4.9	-177.2	0	0	0	0	0	114.6	R498 Y502 R517 V571 R573 N574	R498-G500 PolarHBondContact O-N 2.79Å; G500-Y502 PolarHBondContact O-N 3.11Å; G500-R517 PolarHBondContact N-O 2.74Å; G500-V571 WeakPolarHBondContact CA-O 3.35Å; G500-R573 WeakPolarHBondContact O-CA 3.41Å; G500-R573 WeakPolarHBondContact O-CB 3.29Å; G500-R573 PolarHBondContact O-N 3.09Å; G500-N574 PolarHBondContact O-N 3.14Å
501	D	95.4	Very high	93.7	Very high	10 Å²	10	56.2 Å²	56.2	5%	0.053	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	134.5	164.5	-69.4	-6	0	0	0	108.6	L496 Q497 R498 N499 I516 R517 N574 I576	L496-D501 HydrophobicContact CB-CB 4.28Å; L496-D501 HydrophobicContact CD2-CB 4.1Å; Q497-D501 PolarHBondContact N-OD2 2.82Å; R498-D501 WeakPolarHBondContact CA-OD2 3.25Å; R498-D501 WeakPolarHBondContact CB-OD2 3.49Å; R498-D501 PolarHBondContact N-OD2 2.96Å; R498-D501 VanDerWaalsContact O-CB 3.3Å; R498-D501 WeakPolarHBondContact O-CB 3.42Å; R498-D501 PolarHBondContact O-N 3.09Å; N499-D501 VanDerWaalsContact C-N 3.31Å; D501-I516 WeakPolarHBondContact O-CA 3.35Å; D501-R517 PolarHBondContact O-N 2.76Å; D501-N574 CarbonylContact C-O 3.55Å; D501-N574 WeakPolarHBondContact CA-O 3.4Å; D501-N574 WeakPolarHBondContact OD1-CB 3.43Å; D501-N574 PolarHBondContact OD1-ND2 2.77Å; D501-I576 HydrophobicContact CB-CD1 3.99Å; D501-I576 HydrophobicContact CB-CG1 4.11Å
502	Y	97	Very high	93.7	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	157.8	-178	71.7	-95.5	0	0	0	113.2	Y482 G500 L514 C515 V557 K558 V561 P572 N574 A575 I576	Y482-Y502 HydrophobicContact CD2-CD2 4.07Å; Y482-Y502 AromaticContact CD2-CE2 3.72Å; Y482-Y502 HydrophobicContact CD2-CE2 3.72Å; Y482-Y502 HydrophobicContact CE2-CD2 4.25Å; Y482-Y502 AromaticContact CE2-CE2 3.69Å; Y482-Y502 HydrophobicContact CE2-CE2 3.69Å; Y482-Y502 HydrophobicContact CG-CE2 4.27Å; G500-Y502 PolarHBondContact O-N 3.11Å; Y502-L514 HydrophobicContact CD2-CD1 3.66Å; Y502-L514 HydrophobicContact CG-CD1 4.13Å; Y502-C515 WeakPolarHBondContact CA-O 3.38Å; Y502-C515 VanDerWaalsContact CB-O 3.31Å; Y502-C515 WeakPolarHBondContact CB-O 3.39Å; Y502-V557 HydrophobicContact CD2-CG1 3.97Å; Y502-V557 HydrophobicContact CE2-CG1 3.38Å; Y502-K558 PolarHBondContact OH-NZ 2.8Å; Y502-V561 HydrophobicContact CE1-CG2 3.63Å; Y502-P572 HydrophobicContact CD1-CB 3.6Å; Y502-P572 HydrophobicContact CE1-CB 4.09Å; Y502-P572 HydrophobicContact CG-CB 4Å; Y502-N574 VanDerWaalsContact CD1-C 3.44Å; Y502-N574 WeakPolarHBondContact CD1-O 3.25Å; Y502-N574 PolarHBondContact N-O 3.47Å; Y502-A575 HydrophobicContact CE1-CB 4.22Å; Y502-A575 VanDerWaalsContact CE1-N 3.35Å; Y502-A575 HydrophobicContact CE2-CB 3.76Å; Y502-I576 PolarHBondContact O-N 2.89Å
503	L	97	Very high	93.7	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	164	171	60.4	79.7	0	0	0	110.8	F484 I487 V492 L495 L496 R505 C515	F484-L503 HydrophobicContact CD2-CB 3.77Å; F484-L503 HydrophobicContact CD2-CD1 4.41Å; F484-L503 HydrophobicContact CD2-CD2 4.07Å; F484-L503 HydrophobicContact CD2-CG 4.31Å; F484-L503 HydrophobicContact CE2-CB 3.87Å; F484-L503 HydrophobicContact CE2-CD2 4.18Å; F484-L503 HydrophobicContact CG-CD2 4.46Å; I487-L503 HydrophobicContact CD1-CD1 4.24Å; I487-L503 HydrophobicContact CD1-CD2 4.12Å; V492-L503 HydrophobicContact CG1-CD2 4.34Å; L495-L503 HydrophobicContact CB-CD2 4.04Å; L495-L503 HydrophobicContact CD1-CD2 3.79Å; L496-L503 HydrophobicContact CD1-CG 4.39Å; L496-L503 HydrophobicContact CD2-CB 4.36Å; L496-L503 HydrophobicContact CD2-CD2 3.71Å; L496-L503 HydrophobicContact CD2-CG 3.87Å; L496-L503 HydrophobicContact CG-CD2 4.12Å; L496-L503 HydrophobicContact CG-CG 4.36Å; L503-R505 HydrophobicContact CD1-CG 3.6Å; L503-C515 HydrophobicContact CD1-CB 3.94Å; L503-C515 HydrophobicContact CG-CB 4.32Å; L503-C515 PolarHBondContact N-O 2.93Å; L503-C515 VanDerWaalsContact N-O 3.08Å; L503-C515 PolarHBondContact O-N 3.08Å
504	L	96.5	Very high	93.8	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	136	172	-70.3	170.8	0	0	0	110.9	V477 L480 Y482 H483 F484 F513 L514 I527 I553 V557	V477-L504 HydrophobicContact CG1-CD1 4.22Å; L480-L504 HydrophobicContact CD1-CD1 3.64Å; Y482-L504 HydrophobicContact CD2-CB 4.46Å; Y482-L504 HydrophobicContact CD2-CD1 4.03Å; Y482-L504 HydrophobicContact CD2-CG 3.89Å; Y482-L504 HydrophobicContact CE2-CD1 3.41Å; Y482-L504 VanDerWaalsContact CE2-CD1 3.41Å; Y482-L504 HydrophobicContact CE2-CG 3.57Å; Y482-L504 PolarHBondContact O-N 3.4Å; H483-L504 HydrophobicContact CB-CB 4.41Å; F484-L504 PolarHBondContact N-O 2.55Å; L504-F513 WeakPolarHBondContact CA-O 3.37Å; L504-L514 HydrophobicContact CD2-CB 4.23Å; L504-L514 HydrophobicContact CD2-CD1 4.07Å; L504-I527 HydrophobicContact CD2-CD1 3.94Å; L504-I553 HydrophobicContact CD1-CG2 3.89Å; L504-I553 HydrophobicContact CD2-CG2 4.19Å; L504-V557 HydrophobicContact CD2-CG2 4.38Å
505	R	94.5	Very high	94	Very high	21 Å²	21	47.2 Å²	47.2	8%	0.079	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	156	171.5	-84.9	168.8	74.2	-157.1	8	110.8	G485 I487 D489 L503 P512 F513 C515	G485-R505 CarbonylContact O-C 3.51Å; G485-R505 VanDerWaalsContact O-CA 3.23Å; G485-R505 WeakPolarHBondContact O-CA 3.23Å; I487-R505 HydrophobicContact CD1-CG 4.23Å; I487-R505 HydrophobicContact CG1-CG 3.65Å; I487-R505 PolarHBondContact O-NE 3.48Å; I487-R505 PolarHBondContact O-NH2 2.59Å; D489-R505 IonicContact OD1-CZ 3.66Å; D489-R505 VanDerWaalsContact OD1-CZ 3.26Å; D489-R505 IonicContact OD1-NH1 2.9Å; D489-R505 PolarHBondContact OD1-NH1 3.02Å; D489-R505 IonicContact OD1-NH2 3.43Å; D489-R505 PolarHBondContact OD1-NH2 3.46Å; L503-R505 HydrophobicContact CD1-CG 3.6Å; R505-P512 CarbonylContact O-C 3.55Å; R505-P512 VanDerWaalsContact O-CA 3.25Å; R505-P512 WeakPolarHBondContact O-CA 3.34Å; R505-F513 HydrophobicContact CB-CD1 4.24Å; R505-F513 HydrophobicContact CB-CE1 3.59Å; R505-F513 HydrophobicContact CB-CE2 4.2Å; R505-F513 HydrophobicContact CB-CZ 3.56Å; R505-F513 PolarHBondContact N-O 3.19Å; R505-F513 WeakPolarHBondContact O-CD1 3.39Å; R505-F513 PolarHBondContact O-N 2.94Å; R505-C515 VanDerWaalsContact CD-SG 3.6Å
506	N	94.4	Very high	94.1	Very high	25 Å²	25	46.1 Å²	46.1	13%	0.134	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	131.5	169.2	-73	-5.6	0	0	0	109.8	H483 G485 S486 Q511	H483-N506 PolarHBondContact NE2-OD1 2.75Å; G485-N506 PolarHBondContact O-N 3.45Å; S486-N506 PolarHBondContact OG-O 3.46Å; N506-Q511 WeakPolarHBondContact CA-O 3.26Å
507	N	92.5	Very high	94.2	Very high	29 Å²	29	48.2 Å²	48.2	16%	0.155	23%	0.23	C	C	.	.			trans	-70.8	-179.5	169.9	73.1	9.4	0	0	0	110.7	F509 G510 Q511 F513	N507-F509 PolarHBondContact O-N 2.87Å; N507-F509 VanDerWaalsContact O-N 3.08Å; N507-F509 WeakPolarHBondContact OD1-CA 3.37Å; N507-F509 WeakPolarHBondContact OD1-CB 3.44Å; N507-F509 PolarHBondContact OD1-N 3.17Å; N507-G510 PolarHBondContact O-N 3.3Å; N507-G510 PolarHBondContact OD1-N 3.36Å; N507-Q511 PolarHBondContact N-O 2.77Å; N507-Q511 PolarHBondContact ND2-OE1 3.37Å; N507-Q511 VanDerWaalsContact ND2-OE1 3.08Å; N507-Q511 WeakPolarHBondContact OD1-CB 3.46Å; N507-Q511 PolarHBondContact OD1-N 3.35Å; N507-Q511 PolarHBondContact OD1-O 3.37Å; N507-F513 HydrophobicContact CB-CD1 3.92Å; N507-F513 HydrophobicContact CB-CE1 3.98Å
508	E	90	Very high	94.3	Very high	174 Å²	174	42.6 Å²	42.6	81%	0.813	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	-20.2	179.3	63.2	-175.9	171.3	0	0	114.5
509	F	90.6	Very high	94.2	Very high	149 Å²	149	34.9 Å²	34.9	65%	0.654	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95	5.2	176.8	-54.4	-69.2	0	0	0	113.3	N507 Q511	N507-F509 PolarHBondContact O-N 2.87Å; N507-F509 VanDerWaalsContact O-N 3.08Å; N507-F509 WeakPolarHBondContact OD1-CA 3.37Å; N507-F509 WeakPolarHBondContact OD1-CB 3.44Å; N507-F509 PolarHBondContact OD1-N 3.17Å; F509-Q511 HydrophobicContact CB-CG 4.24Å; F509-Q511 PolarHBondContact O-N 3.31Å
510	G	89.3	Confident	94.1	Very high	41 Å²	41	39 Å²	39	42%	0.423	20%	0.204	S	C	.	.	S	Bend	trans	75.8	9.8	-175.7	0	0	0	0	0	113.9	N507	N507-G510 PolarHBondContact O-N 3.3Å; N507-G510 PolarHBondContact OD1-N 3.36Å
511	Q	91.9	Very high	94	Very high	109 Å²	109	42.7 Å²	42.7	51%	0.509	22%	0.22	S	C	.	.			trans	-84.5	131.4	178.7	-56.7	171	-45.2	0	0	110	N506 N507 F509	N506-Q511 WeakPolarHBondContact CA-O 3.26Å; N507-Q511 PolarHBondContact N-O 2.77Å; N507-Q511 PolarHBondContact ND2-OE1 3.37Å; N507-Q511 VanDerWaalsContact ND2-OE1 3.08Å; N507-Q511 WeakPolarHBondContact OD1-CB 3.46Å; N507-Q511 PolarHBondContact OD1-N 3.35Å; N507-Q511 PolarHBondContact OD1-O 3.37Å; F509-Q511 HydrophobicContact CB-CG 4.24Å; F509-Q511 PolarHBondContact O-N 3.31Å
512	P	93.1	Very high	94	Very high	30 Å²	30	44.3 Å²	44.3	20%	0.195	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	138	178.1	27.6	-35.2	0	0	0	111.8	V477 R505 I553	V477-P512 HydrophobicContact CG1-CB 3.9Å; V477-P512 HydrophobicContact CG1-CG 4.09Å; R505-P512 CarbonylContact O-C 3.55Å; R505-P512 VanDerWaalsContact O-CA 3.25Å; R505-P512 WeakPolarHBondContact O-CA 3.34Å; P512-I553 HydrophobicContact CB-CD1 3.95Å; P512-I553 HydrophobicContact CG-CD1 3.17Å
513	F	95.8	Very high	94	Very high	11 Å²	11	44.8 Å²	44.8	5%	0.048	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	157.8	171.7	70.3	-83.9	0	0	0	110.1	L504 R505 N507 C515 D524 H525	L504-F513 WeakPolarHBondContact CA-O 3.37Å; R505-F513 HydrophobicContact CB-CD1 4.24Å; R505-F513 HydrophobicContact CB-CE1 3.59Å; R505-F513 HydrophobicContact CB-CE2 4.2Å; R505-F513 HydrophobicContact CB-CZ 3.56Å; R505-F513 PolarHBondContact N-O 3.19Å; R505-F513 WeakPolarHBondContact O-CD1 3.39Å; R505-F513 PolarHBondContact O-N 2.94Å; N507-F513 HydrophobicContact CB-CD1 3.92Å; N507-F513 HydrophobicContact CB-CE1 3.98Å; F513-C515 WeakPolarHBondContact CE2-SG 3.33Å; F513-D524 HydrophobicContact CD2-CB 3.95Å; F513-D524 HydrophobicContact CE2-CB 3.82Å; F513-H525 WeakPolarHBondContact CB-O 3.3Å
514	L	97.4	Very high	94	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	120.2	-173.1	-178.5	66.7	0	0	0	110.4	Y502 L504 I516 H525 V557 L560 P572	Y502-L514 HydrophobicContact CD2-CD1 3.66Å; Y502-L514 HydrophobicContact CG-CD1 4.13Å; L504-L514 HydrophobicContact CD2-CB 4.23Å; L504-L514 HydrophobicContact CD2-CD1 4.07Å; L514-I516 HydrophobicContact CD2-CD1 3.73Å; L514-I516 HydrophobicContact CD2-CG1 4.01Å; L514-I516 HydrophobicContact CG-CD1 4.06Å; L514-I516 HydrophobicContact CG-CG1 3.79Å; L514-H525 HydrophobicContact CB-CB 4.34Å; L514-H525 PolarHBondContact N-O 2.94Å; L514-H525 PolarHBondContact O-N 2.98Å; L514-V557 HydrophobicContact CD1-CG1 4.16Å; L514-V557 HydrophobicContact CD1-CG2 4.15Å; L514-V557 HydrophobicContact CD2-CG2 4.35Å; L514-L560 HydrophobicContact CD2-CD1 4.2Å; L514-P572 HydrophobicContact CD2-CB 4.39Å; L514-P572 HydrophobicContact CD2-CG 4.37Å
515	C	97.9	Very high	94	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	130	172.4	-61.3	0	0	0	0	109.5	V492 L496 Y502 L503 R505 F513 I522 V523 D524	V492-C515 HydrophobicContact CG1-CB 4.08Å; L496-C515 HydrophobicContact CD1-CB 3.99Å; Y502-C515 WeakPolarHBondContact CA-O 3.38Å; Y502-C515 VanDerWaalsContact CB-O 3.31Å; Y502-C515 WeakPolarHBondContact CB-O 3.39Å; L503-C515 HydrophobicContact CD1-CB 3.94Å; L503-C515 HydrophobicContact CG-CB 4.32Å; L503-C515 PolarHBondContact N-O 2.93Å; L503-C515 VanDerWaalsContact N-O 3.08Å; L503-C515 PolarHBondContact O-N 3.08Å; R505-C515 VanDerWaalsContact CD-SG 3.6Å; F513-C515 WeakPolarHBondContact CE2-SG 3.33Å; C515-I522 HydrophobicContact CB-CG2 4.32Å; C515-V523 CarbonylContact C-O 3.54Å; C515-V523 WeakPolarHBondContact CA-O 3.37Å; C515-D524 PolarHBondContact SG-OD1 2.81Å
516	I	97.7	Very high	94	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	127.7	-177.9	-47.1	169.9	0	0	0	110	D501 L514 I522 V523 V567 A570 P572	D501-I516 WeakPolarHBondContact O-CA 3.35Å; L514-I516 HydrophobicContact CD2-CD1 3.73Å; L514-I516 HydrophobicContact CD2-CG1 4.01Å; L514-I516 HydrophobicContact CG-CD1 4.06Å; L514-I516 HydrophobicContact CG-CG1 3.79Å; I516-I522 CarbonylContact O-C 3.56Å; I516-I522 WeakPolarHBondContact O-CA 3.34Å; I516-V523 PolarHBondContact N-O 3.23Å; I516-V523 PolarHBondContact O-N 3.17Å; I516-V567 HydrophobicContact CD1-CG2 3.59Å; I516-A570 HydrophobicContact CB-CB 3.99Å; I516-A570 HydrophobicContact CD1-CB 4.09Å; I516-A570 HydrophobicContact CG2-CB 3.94Å; I516-P572 HydrophobicContact CD1-CB 4.06Å; I516-P572 HydrophobicContact CD1-CG 4.21Å; I516-P572 HydrophobicContact CG1-CB 4.4Å
517	R	96.6	Very high	94	Very high	44 Å²	44	52.9 Å²	52.9	17%	0.166	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	124.5	168.3	176.5	70.9	177.8	-160.5	-2.7	110	E493 L496 R498 G500 D501 G519	E493-R517 VanDerWaalsContact CD-NH1 3.29Å; E493-R517 IonicContact OE1-CZ 2.8Å; E493-R517 IonicContact OE1-NH1 3.56Å; E493-R517 PolarHBondContact OE1-NH1 3Å; E493-R517 IonicContact OE1-NH2 3.7Å; E493-R517 IonicContact OE2-NH1 3.27Å; E493-R517 PolarHBondContact OE2-NH1 3.33Å; L496-R517 HydrophobicContact CB-CB 3.64Å; L496-R517 HydrophobicContact CD1-CB 4.48Å; L496-R517 WeakPolarHBondContact O-CD 3.4Å; L496-R517 WeakPolarHBondContact O-CG 3.19Å; R498-R517 WeakPolarHBondContact O-CB 3.28Å; R498-R517 WeakPolarHBondContact O-CG 3.26Å; G500-R517 PolarHBondContact N-O 2.74Å; D501-R517 PolarHBondContact O-N 2.76Å; R517-G519 PolarHBondContact NE-O 3.45Å
518	W	95.2	Very high	94.1	Very high	5 Å²	5	54 Å²	54	2%	0.019	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	117.4	177.1	-164.2	-94.3	0	0	0	112.1	W234 V282 G285 Q287 D520 K521 G569 A570 V571	W234-W518 AromaticContact CE2-NE1 3.64Å; W234-W518 AromaticContact CH2-CZ2 3.93Å; W234-W518 HydrophobicContact CH2-CZ2 3.93Å; W234-W518 AromaticContact CZ2-CE2 3.61Å; W234-W518 HydrophobicContact CZ2-CH2 4.29Å; W234-W518 AromaticContact CZ2-CZ2 3.36Å; W234-W518 HydrophobicContact CZ2-CZ2 3.36Å; W234-W518 AromaticContact CZ2-NE1 3.67Å; W234-W518 AromaticContact NE1-CD1 3.97Å; W234-W518 AromaticContact NE1-NE1 3.27Å; V282-W518 HydrophobicContact CB-CH2 4.41Å; V282-W518 HydrophobicContact CG1-CH2 4.18Å; V282-W518 HydrophobicContact CG1-CZ2 4Å; V282-W518 HydrophobicContact CG2-CH2 3.32Å; V282-W518 HydrophobicContact CG2-CZ2 3.95Å; V282-W518 HydrophobicContact CG2-CZ3 3.95Å; G285-W518 PolarHBondContact O-NE1 2.84Å; Q287-W518 HydrophobicContact CG-CH2 3.86Å; Q287-W518 HydrophobicContact CG-CZ2 3.99Å; Q287-W518 VanDerWaalsContact NE2-CH2 3.3Å; W518-D520 PolarHBondContact O-N 3.39Å; W518-K521 PolarHBondContact N-O 3.28Å; W518-K521 WeakPolarHBondContact O-CG 3.35Å; W518-K521 PolarHBondContact O-N 3.38Å; W518-G569 PolarHBondContact NE1-O 2.82Å; W518-A570 HydrophobicContact CB-CB 3.63Å; W518-A570 HydrophobicContact CD2-CB 4.4Å; W518-A570 HydrophobicContact CG-CB 3.97Å; W518-V571 HydrophobicContact CE3-CB 4.28Å; W518-V571 HydrophobicContact CH2-CB 3.82Å; W518-V571 HydrophobicContact CH2-CG2 4Å; W518-V571 HydrophobicContact CZ2-CG2 4.42Å; W518-V571 HydrophobicContact CZ3-CB 3.61Å; W518-V571 HydrophobicContact CZ3-CG2 4.25Å; W518-V571 WeakPolarHBondContact CZ3-O 2.93Å
519	G	89.7	Confident	94.2	Very high	25 Å²	25	52.3 Å²	52.3	26%	0.258	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	61	-125.4	-169.1	0	0	0	0	0	111.1	N499 R517	N499-G519 WeakPolarHBondContact OD1-CA 3.35Å; N499-G519 PolarHBondContact OD1-N 3.11Å; R517-G519 PolarHBondContact NE-O 3.45Å
520	D	89.2	Confident	94.2	Very high	146 Å²	146	46.4 Å²	46.4	78%	0.781	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.6	2.4	178.8	62.4	-29.3	0	0	0	113.6	W518	W518-D520 PolarHBondContact O-N 3.39Å
521	K	92.7	Very high	94.1	Very high	78 Å²	78	50.5 Å²	50.5	34%	0.339	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	161	-176.5	62.8	171.6	177.6	173.3	0	113.6	D235 W518 V523	D235-K521 IonicContact OD2-NZ 2.78Å; D235-K521 PolarHBondContact OD2-NZ 3.29Å; W518-K521 PolarHBondContact N-O 3.28Å; W518-K521 WeakPolarHBondContact O-CG 3.35Å; W518-K521 PolarHBondContact O-N 3.38Å; K521-V523 HydrophobicContact CD-CG2 4.01Å; K521-V523 HydrophobicContact CG-CG2 4.23Å
522	I	96	Very high	93.9	Very high	43 Å²	43	54.5 Å²	54.5	22%	0.221	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	132.2	163.1	-63.2	-177.2	0	0	0	108.1	V492 E493 L496 C515 I516	V492-I522 HydrophobicContact CB-CD1 4.18Å; V492-I522 HydrophobicContact CG1-CD1 3.72Å; V492-I522 HydrophobicContact CG1-CG2 4.21Å; E493-I522 HydrophobicContact CB-CD1 4.29Å; E493-I522 WeakPolarHBondContact OE2-CD1 3.41Å; E493-I522 WeakPolarHBondContact OE2-CG1 3.42Å; L496-I522 HydrophobicContact CD1-CD1 4.42Å; L496-I522 HydrophobicContact CD1-CG2 4.34Å; C515-I522 HydrophobicContact CB-CG2 4.32Å; I516-I522 CarbonylContact O-C 3.56Å; I516-I522 WeakPolarHBondContact O-CA 3.34Å
523	V	95.8	Very high	93.5	Very high	10 Å²	10	55 Å²	55	6%	0.061	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	122.8	178.9	176.5	0	0	0	0	108.9	C515 I516 K521 D568 A570	C515-V523 CarbonylContact C-O 3.54Å; C515-V523 WeakPolarHBondContact CA-O 3.37Å; I516-V523 PolarHBondContact N-O 3.23Å; I516-V523 PolarHBondContact O-N 3.17Å; K521-V523 HydrophobicContact CD-CG2 4.01Å; K521-V523 HydrophobicContact CG-CG2 4.23Å; V523-D568 HydrophobicContact CG1-CB 3.59Å; V523-A570 HydrophobicContact CB-CB 3.83Å; V523-A570 HydrophobicContact CG1-CB 4.15Å; V523-A570 HydrophobicContact CG2-CB 3.81Å
524	D	96.5	Very high	93	Very high	75 Å²	75	56.3 Å²	56.3	40%	0.401	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	100.9	175.2	-69.7	-11.3	0	0	0	109.4	F513 C515	F513-D524 HydrophobicContact CD2-CB 3.95Å; F513-D524 HydrophobicContact CE2-CB 3.82Å; C515-D524 PolarHBondContact SG-OD1 2.81Å
525	H	96.5	Very high	92.7	Very high	18 Å²	18	57.1 Å²	57.1	8%	0.083	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	120.5	-177.7	177.6	62	0	0	0	111.6	F513 L514 I527 Y556 V567 D568	F513-H525 WeakPolarHBondContact CB-O 3.3Å; L514-H525 HydrophobicContact CB-CB 4.34Å; L514-H525 PolarHBondContact N-O 2.94Å; L514-H525 PolarHBondContact O-N 2.98Å; H525-I527 PolarHBondContact O-N 3.2Å; H525-Y556 AromaticContact NE2-CE1 3.97Å; H525-Y556 AromaticContact NE2-CZ 3.86Å; H525-Y556 PolarHBondContact NE2-OH 3.4Å; H525-V567 HydrophobicContact CB-CG2 4.09Å; H525-D568 IonicContact CE1-OD2 3.77Å; H525-D568 IonicContact CG-OD2 3.47Å; H525-D568 IonicContact ND1-OD2 3.91Å; H525-D568 PolarHBondContact ND1-OD2 2.89Å
526	Q	95.9	Very high	92.3	Very high	103 Å²	103	57.4 Å²	57.4	48%	0.481	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	121.9	174.7	-63.1	-57.8	-42.6	0	0	110.5	P528	Q526-P528 WeakPolarHBondContact O-CD 3.38Å
527	I	94.7	Very high	92.1	Very high	21 Å²	21	58.8 Å²	58.8	11%	0.108	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-69.2	123.3	-177.3	-65.2	162.5	0	0	0	109.4	L504 H525 Y529 T536 I553 Y556	L504-I527 HydrophobicContact CD2-CD1 3.94Å; H525-I527 PolarHBondContact O-N 3.2Å; I527-Y529 PolarHBondContact O-N 3.05Å; I527-T536 HydrophobicContact CG2-CG2 3.46Å; I527-T536 VanDerWaalsContact CG2-CG2 3.46Å; I527-I553 HydrophobicContact CD1-CD1 4.11Å; I527-I553 HydrophobicContact CD1-CG1 4.4Å; I527-I553 HydrophobicContact CD1-CG2 3.53Å; I527-Y556 HydrophobicContact CG1-CD1 4.27Å; I527-Y556 HydrophobicContact CG1-CE1 4.25Å; I527-Y556 HydrophobicContact CG2-CD1 3.98Å; I527-Y556 HydrophobicContact CG2-CE1 4.23Å; I527-Y556 HydrophobicContact CG2-CG 4.37Å
528	P	93.4	Very high	92	Very high	51 Å²	51	57 Å²	57	33%	0.331	30%	0.302	S	S	.	.			trans	-73.6	99.6	-173.6	28.5	-35.4	0	0	0	111.7	Q526 T536 I537 Y556	Q526-P528 WeakPolarHBondContact O-CD 3.38Å; P528-T536 CarbonylContact O-C 3.48Å; P528-T536 VanDerWaalsContact O-CA 3.32Å; P528-T536 WeakPolarHBondContact O-CA 3.26Å; P528-T536 WeakPolarHBondContact O-CG2 3.44Å; P528-I537 WeakPolarHBondContact CG-O 3.45Å; P528-I537 PolarHBondContact O-N 2.76Å; P528-Y556 WeakPolarHBondContact CD-OH 3.36Å; P528-Y556 HydrophobicContact CG-CE2 3.84Å
529	Y	91.6	Very high	91.8	Very high	140 Å²	140	57.7 Å²	57.7	55%	0.549	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	126.7	177.7	-173.3	-96.1	0	0	0	111.9	I527 V531 G534	I527-Y529 PolarHBondContact O-N 3.05Å; Y529-V531 HydrophobicContact CD1-CG2 4.32Å; Y529-V531 HydrophobicContact CE1-CG2 4.42Å; Y529-G534 VanDerWaalsContact CZ-C 3.45Å; Y529-G534 VanDerWaalsContact OH-CA 3.29Å; Y529-G534 WeakPolarHBondContact OH-CA 3.48Å; Y529-G534 PolarHBondContact OH-O 3.5Å; Y529-G534 VanDerWaalsContact OH-O 3.13Å
530	S	90.4	Very high	91.8	Very high	24 Å²	24	61.5 Å²	61.5	17%	0.168	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	114.9	172.8	174.7	0	0	0	0	110.3	E532 I533 G534 R535	S530-E532 VanDerWaalsContact C-N 3.29Å; S530-E532 PolarHBondContact O-N 3.42Å; S530-I533 PolarHBondContact O-N 2.92Å; S530-I533 PolarHBondContact OG-N 3.1Å; S530-G534 WeakPolarHBondContact O-CA 3.42Å; S530-G534 PolarHBondContact O-N 3.36Å; S530-R535 PolarHBondContact N-O 2.7Å; S530-R535 PolarHBondContact O-N 2.87Å
531	V	87.5	Confident	91.3	Very high	127 Å²	127	59.9 Å²	59.9	77%	0.77	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-34.1	174.9	-178.9	0	0	0	0	111.5	Y529	Y529-V531 HydrophobicContact CD1-CG2 4.32Å; Y529-V531 HydrophobicContact CE1-CG2 4.42Å
532	E	87.5	Confident	90.7	Very high	194 Å²	194	59 Å²	59	91%	0.907	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-37.7	180	-63	-176.8	173	0	0	112.3	S530	S530-E532 VanDerWaalsContact C-N 3.29Å; S530-E532 PolarHBondContact O-N 3.42Å
533	I	85.2	Confident	90.2	Very high	41 Å²	41	65.1 Å²	65.1	21%	0.21	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-23	-179.5	-59	163.7	0	0	0	110.9	S129 S530 R535 I537 V547	S129-I533 WeakPolarHBondContact OG-CD1 3.5Å; S530-I533 PolarHBondContact O-N 2.92Å; S530-I533 PolarHBondContact OG-N 3.1Å; I533-R535 HydrophobicContact CG2-CB 3.99Å; I533-R535 HydrophobicContact CG2-CG 4.11Å; I533-I537 HydrophobicContact CD1-CD1 3.86Å; I533-V547 HydrophobicContact CD1-CG1 4.05Å
534	G	86.2	Confident	89.6	Confident	37 Å²	37	67.1 Å²	67.1	38%	0.381	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.9	27.9	-174.2	0	0	0	0	0	113.4	Y529 S530	Y529-G534 VanDerWaalsContact CZ-C 3.45Å; Y529-G534 VanDerWaalsContact OH-CA 3.29Å; Y529-G534 WeakPolarHBondContact OH-CA 3.48Å; Y529-G534 PolarHBondContact OH-O 3.5Å; Y529-G534 VanDerWaalsContact OH-O 3.13Å; S530-G534 WeakPolarHBondContact O-CA 3.42Å; S530-G534 PolarHBondContact O-N 3.36Å
535	R	89.7	Confident	89	Confident	18 Å²	18	64.1 Å²	64.1	7%	0.068	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	158.8	-170.4	-67.8	-176.1	-172.2	151.7	9.8	113.9	Y130 S530 I533 S549 I550	Y130-R535 VanDerWaalsContact CE1-NH2 3.32Å; Y130-R535 PolarHBondContact OH-NH2 2.73Å; S530-R535 PolarHBondContact N-O 2.7Å; S530-R535 PolarHBondContact O-N 2.87Å; I533-R535 HydrophobicContact CG2-CB 3.99Å; I533-R535 HydrophobicContact CG2-CG 4.11Å; R535-S549 WeakPolarHBondContact CD-OG 3.25Å; R535-I550 WeakPolarHBondContact CB-O 2.98Å
536	T	91.4	Very high	88.8	Confident	6 Å²	6	64.2 Å²	64.2	4%	0.037	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	134.6	170.1	-57.2	0	0	0	0	110.1	I527 P528 S549 I550 Y556	I527-T536 HydrophobicContact CG2-CG2 3.46Å; I527-T536 VanDerWaalsContact CG2-CG2 3.46Å; P528-T536 CarbonylContact O-C 3.48Å; P528-T536 VanDerWaalsContact O-CA 3.32Å; P528-T536 WeakPolarHBondContact O-CA 3.26Å; P528-T536 WeakPolarHBondContact O-CG2 3.44Å; T536-S549 CarbonylContact O-C 3.47Å; T536-S549 VanDerWaalsContact O-CA 3.24Å; T536-S549 WeakPolarHBondContact O-CA 3.21Å; T536-I550 HydrophobicContact CG2-CG1 4.49Å; T536-I550 PolarHBondContact N-O 3.33Å; T536-I550 VanDerWaalsContact N-O 3.1Å; T536-I550 WeakPolarHBondContact O-CG1 3.29Å; T536-I550 PolarHBondContact O-N 3.23Å; T536-Y556 HydrophobicContact CG2-CD1 4.41Å; T536-Y556 HydrophobicContact CG2-CD2 3.48Å; T536-Y556 VanDerWaalsContact CG2-CD2 3.48Å; T536-Y556 HydrophobicContact CG2-CE2 4.14Å; T536-Y556 HydrophobicContact CG2-CG 3.65Å
537	I	93.4	Very high	88.6	Confident	29 Å²	29	60.9 Å²	60.9	15%	0.149	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	131.6	-176.1	-56.1	-54	0	0	0	109.9	P528 I533 V547 Y556	P528-I537 WeakPolarHBondContact CG-O 3.45Å; P528-I537 PolarHBondContact O-N 2.76Å; I533-I537 HydrophobicContact CD1-CD1 3.86Å; I537-V547 HydrophobicContact CD1-CG1 3.8Å; I537-V547 HydrophobicContact CG2-CG1 4.05Å; I537-Y556 WeakPolarHBondContact O-CE2 3.22Å
538	L	93.4	Very high	88.6	Confident	5 Å²	5	60.3 Å²	60.3	3%	0.026	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-76.2	152.8	174.2	-72.3	177.1	0	0	0	111.2	P69 I144 E548 I550 Y556 A559	P69-L538 HydrophobicContact CB-CB 4.26Å; I144-L538 HydrophobicContact CD1-CD1 4.09Å; I144-L538 HydrophobicContact CG1-CD1 4.15Å; I144-L538 HydrophobicContact CG2-CD1 4.39Å; L538-E548 HydrophobicContact CB-CB 4.16Å; L538-E548 HydrophobicContact CD1-CB 4.04Å; L538-E548 PolarHBondContact N-O 2.87Å; L538-I550 HydrophobicContact CD1-CG2 4.26Å; L538-I550 HydrophobicContact CD2-CD1 3.67Å; L538-I550 HydrophobicContact CD2-CG1 4.14Å; L538-I550 HydrophobicContact CG-CD1 4.28Å; L538-I550 HydrophobicContact CG-CG1 4.21Å; L538-I550 HydrophobicContact CG-CG2 4.43Å; L538-Y556 HydrophobicContact CD2-CD2 4.23Å; L538-A559 HydrophobicContact CD2-CB 3.99Å
539	P	91.1	Very high	88.5	Confident	21 Å²	21	57.9 Å²	57.9	14%	0.136	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-60.6	148	-179.7	-21.4	31.9	0	0	0	113.6	L71 L560 Y565	L71-P539 WeakPolarHBondContact CD2-O 3.39Å; P539-L560 HydrophobicContact CG-CD2 3.75Å; P539-Y565 HydrophobicContact CB-CD1 3.89Å; P539-Y565 HydrophobicContact CB-CD2 4.3Å; P539-Y565 HydrophobicContact CB-CE1 3.3Å; P539-Y565 HydrophobicContact CB-CE2 3.78Å; P539-Y565 HydrophobicContact CB-CG 4.35Å; P539-Y565 WeakPolarHBondContact CB-OH 3.25Å; P539-Y565 HydrophobicContact CG-CD1 3.66Å; P539-Y565 HydrophobicContact CG-CE1 3.58Å; P539-Y565 HydrophobicContact CG-CE2 4.44Å; P539-Y565 HydrophobicContact CG-CG 4.14Å
540	R	89	Confident	88.4	Confident	105 Å²	105	51.3 Å²	51.3	40%	0.396	29%	0.286	S	S	.	.			trans	-144.9	146.6	175.7	65.5	-179.6	-178	162	0.9	112	E543 G545	R540-E543 PolarHBondContact NH1-O 2.82Å; R540-G545 PolarHBondContact NH1-O 3.45Å
541	N	79.9	Confident	88	Confident	111 Å²	111	53.8 Å²	53.8	59%	0.594	29%	0.294	S	S	*	.	S	Bend	trans	-90.3	-8.5	-178.2	-66.4	-3.7	0	0	0	114
542	S	80.3	Confident	87.9	Confident	60 Å²	60	49.2 Å²	49.2	42%	0.42	27%	0.267	S	S	.	.			trans	-152.7	143.1	-177.6	177.9	0	0	0	0	110	A544 G545	S542-A544 PolarHBondContact O-N 2.62Å; S542-A544 PolarHBondContact OG-N 2.77Å; S542-G545 PolarHBondContact O-N 2.73Å; S542-G545 VanDerWaalsContact O-N 3.16Å
543	E	84.3	Confident	88.1	Confident	172 Å²	172	41.1 Å²	41.1	80%	0.804	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-21.8	172.2	-63	-173.3	161.5	0	0	112.8	R540 G545	R540-E543 PolarHBondContact NH1-O 2.82Å; E543-G545 VanDerWaalsContact C-N 3.26Å; E543-G545 PolarHBondContact O-N 2.94Å
544	A	82.9	Confident	88.4	Confident	51 Å²	51	39.2 Å²	39.2	42%	0.421	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-15.8	175.7	0	0	0	0	0	113.1	L105 S542	L105-A544 HydrophobicContact CB-CB 4.48Å; L105-A544 HydrophobicContact CD1-CB 3.82Å; S542-A544 PolarHBondContact O-N 2.62Å; S542-A544 PolarHBondContact OG-N 2.77Å
545	G	85.1	Confident	88.7	Confident	13 Å²	13	37.7 Å²	37.7	13%	0.134	20%	0.203	C	C	.	.	S	Bend	trans	-76.1	154.9	175	0	0	0	0	0	112.3	R540 S542 E543	R540-G545 PolarHBondContact NH1-O 3.45Å; S542-G545 PolarHBondContact O-N 2.73Å; S542-G545 VanDerWaalsContact O-N 3.16Å; E543-G545 VanDerWaalsContact C-N 3.26Å; E543-G545 PolarHBondContact O-N 2.94Å
546	P	91.4	Very high	88.8	Confident	19 Å²	19	37 Å²	37	12%	0.123	20%	0.201	C	C	.	.			trans	-62.4	154.3	177.5	28.1	-33	0	0	0	111.2	L70 T107 F131 I145	L70-P546 HydrophobicContact CD2-CG 3.58Å; T107-P546 HydrophobicContact CG2-CG 4.43Å; T107-P546 WeakPolarHBondContact OG1-CD 3.46Å; T107-P546 WeakPolarHBondContact OG1-CG 3.31Å; F131-P546 HydrophobicContact CE1-CB 3.62Å; F131-P546 HydrophobicContact CE1-CG 4.47Å; F131-P546 HydrophobicContact CZ-CB 3.89Å; I145-P546 HydrophobicContact CD1-CG 3.89Å
547	V	92.8	Very high	89	Confident	34 Å²	34	36.8 Å²	36.8	21%	0.206	20%	0.199	C	C	.	.			trans	-91.4	103.5	177.5	178.8	0	0	0	0	109	Q125 F131 I533 I537	Q125-V547 PolarHBondContact NE2-O 3.43Å; F131-V547 WeakPolarHBondContact CZ-O 3.43Å; I533-V547 HydrophobicContact CD1-CG1 4.05Å; I537-V547 HydrophobicContact CD1-CG1 3.8Å; I537-V547 HydrophobicContact CG2-CG1 4.05Å
548	E	94	Very high	89	Confident	8 Å²	8	35.5 Å²	35.5	4%	0.037	19%	0.192	C	C	.	.			trans	-87.9	142.9	172.9	-68.1	177.2	114.2	0	0	110.7	P69 L70 F131 I144 I145 L538	P69-E548 WeakPolarHBondContact CA-OE2 3.43Å; L70-E548 WeakPolarHBondContact CB-OE2 3.07Å; L70-E548 PolarHBondContact N-OE2 2.94Å; F131-E548 HydrophobicContact CE2-CB 4.47Å; F131-E548 HydrophobicContact CE2-CG 3.73Å; F131-E548 HydrophobicContact CZ-CG 3.81Å; I144-E548 WeakPolarHBondContact CG2-OE1 3.27Å; I145-E548 WeakPolarHBondContact CB-OE1 3.09Å; I145-E548 PolarHBondContact N-OE1 3.12Å; L538-E548 HydrophobicContact CB-CB 4.16Å; L538-E548 HydrophobicContact CD1-CB 4.04Å; L538-E548 PolarHBondContact N-O 2.87Å
549	S	91.8	Very high	89	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	157.2	-174.1	63.8	0	0	0	0	112.4	S143 R535 T536	S143-S549 WeakPolarHBondContact CB-O 3.27Å; S143-S549 PolarHBondContact O-N 3.38Å; S143-S549 VanDerWaalsContact O-N 3.12Å; S143-S549 PolarHBondContact OG-O 3.02Å; R535-S549 WeakPolarHBondContact CD-OG 3.25Å; T536-S549 CarbonylContact O-C 3.47Å; T536-S549 VanDerWaalsContact O-CA 3.24Å; T536-S549 WeakPolarHBondContact O-CA 3.21Å
550	I	89.1	Confident	89.2	Confident	2 Å²	2	34.4 Å²	34.4	1%	0.01	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	154.2	-174.2	41.3	166	0	0	0	111.1	I144 R535 T536 L538 Q555 Y556	I144-I550 HydrophobicContact CD1-CG2 3.4Å; I144-I550 HydrophobicContact CG1-CG2 3.95Å; R535-I550 WeakPolarHBondContact CB-O 2.98Å; T536-I550 HydrophobicContact CG2-CG1 4.49Å; T536-I550 PolarHBondContact N-O 3.33Å; T536-I550 VanDerWaalsContact N-O 3.1Å; T536-I550 WeakPolarHBondContact O-CG1 3.29Å; T536-I550 PolarHBondContact O-N 3.23Å; L538-I550 HydrophobicContact CD1-CG2 4.26Å; L538-I550 HydrophobicContact CD2-CD1 3.67Å; L538-I550 HydrophobicContact CD2-CG1 4.14Å; L538-I550 HydrophobicContact CG-CD1 4.28Å; L538-I550 HydrophobicContact CG-CG1 4.21Å; L538-I550 HydrophobicContact CG-CG2 4.43Å; I550-Q555 HydrophobicContact CB-CB 4.27Å; I550-Q555 HydrophobicContact CD1-CB 3.99Å; I550-Q555 HydrophobicContact CG2-CB 4.39Å; I550-Y556 HydrophobicContact CD1-CD2 4.08Å; I550-Y556 HydrophobicContact CD1-CG 4.22Å
551	F	81.3	Confident	89.4	Confident	77 Å²	77	29.7 Å²	29.7	34%	0.338	17%	0.169	S	C	.	.	S	Bend	trans	-88.4	-30.6	-170.2	-65.1	-92.3	0	0	0	113.4	D57 Y130	D57-F551 HydrophobicContact CB-CD1 4.41Å; D57-F551 HydrophobicContact CB-CE1 3.56Å; D57-F551 HydrophobicContact CB-CE2 4.24Å; D57-F551 HydrophobicContact CB-CZ 3.47Å; D57-F551 VanDerWaalsContact CB-CZ 3.47Å; D57-F551 WeakPolarHBondContact O-CE2 3.43Å; D57-F551 WeakPolarHBondContact O-CZ 3.24Å; Y130-F551 HydrophobicContact CE1-CZ 4.42Å
552	S	87.2	Confident	89.9	Confident	30 Å²	30	26.2 Å²	26.2	21%	0.21	15%	0.147	C	C	.	.			trans	-112.4	141.1	-174.2	135.1	0	0	0	0	110.7	D554 Q555 Y556	S552-D554 PolarHBondContact O-N 3.36Å; S552-D554 WeakPolarHBondContact OG-CB 3.32Å; S552-D554 PolarHBondContact OG-N 2.88Å; S552-Q555 PolarHBondContact O-N 3.39Å; S552-Q555 PolarHBondContact OG-N 2.88Å; S552-Y556 PolarHBondContact O-N 3.02Å
553	I	90.9	Very high	90.4	Very high	25 Å²	25	24.2 Å²	24.2	13%	0.128	13%	0.133	C	C	.	.	H	α-helix	trans	-62.2	-35.3	171.1	-70.4	-176	0	0	0	110.7	V477 L504 P512 I527 Y556 V557	V477-I553 HydrophobicContact CG1-CD1 4.16Å; V477-I553 HydrophobicContact CG2-CB 4.4Å; V477-I553 HydrophobicContact CG2-CD1 3.71Å; V477-I553 HydrophobicContact CG2-CG1 4.26Å; L504-I553 HydrophobicContact CD1-CG2 3.89Å; L504-I553 HydrophobicContact CD2-CG2 4.19Å; P512-I553 HydrophobicContact CB-CD1 3.95Å; P512-I553 HydrophobicContact CG-CD1 3.17Å; I527-I553 HydrophobicContact CD1-CD1 4.11Å; I527-I553 HydrophobicContact CD1-CG1 4.4Å; I527-I553 HydrophobicContact CD1-CG2 3.53Å; I553-Y556 WeakPolarHBondContact O-CA 3.28Å; I553-Y556 VanDerWaalsContact O-CB 3.27Å; I553-Y556 WeakPolarHBondContact O-CB 3.42Å; I553-Y556 PolarHBondContact O-N 3.03Å; I553-Y556 VanDerWaalsContact O-N 3.1Å; I553-V557 HydrophobicContact CG2-CG2 4.21Å; I553-V557 WeakPolarHBondContact O-CG2 3.38Å; I553-V557 PolarHBondContact O-N 2.87Å
554	D	91.9	Very high	90.7	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-64.8	-42.5	176.8	-173.4	68.5	0	0	0	111.5	V471 E472 L480 Y482 S552 Y556 V557 K558	V471-D554 WeakPolarHBondContact CA-OD2 3.38Å; V471-D554 VanDerWaalsContact CG1-OD2 3.22Å; V471-D554 WeakPolarHBondContact CG1-OD2 3.3Å; E472-D554 PolarHBondContact N-OD2 3.23Å; L480-D554 HydrophobicContact CD1-CB 4.06Å; L480-D554 HydrophobicContact CD2-CB 3.58Å; Y482-D554 WeakPolarHBondContact CE1-OD1 3.36Å; Y482-D554 VanDerWaalsContact CZ-OD1 3.25Å; Y482-D554 PolarHBondContact OH-OD1 2.89Å; S552-D554 PolarHBondContact O-N 3.36Å; S552-D554 WeakPolarHBondContact OG-CB 3.32Å; S552-D554 PolarHBondContact OG-N 2.88Å; D554-Y556 PolarHBondContact O-N 3.39Å; D554-Y556 VanDerWaalsContact O-N 3.15Å; D554-V557 PolarHBondContact O-N 3.01Å; D554-K558 VanDerWaalsContact O-CB 3.3Å; D554-K558 WeakPolarHBondContact O-CB 3.41Å; D554-K558 WeakPolarHBondContact O-CG 2.84Å; D554-K558 PolarHBondContact O-N 2.83Å; D554-K558 WeakPolarHBondContact OD1-CE 3.43Å
555	Q	91.1	Very high	91.2	Very high	6 Å²	6	17 Å²	17	3%	0.028	9%	0.089	C	C	.	.	H	α-helix	trans	-55.9	-36.4	172.6	-67	-175.6	-2.6	0	0	111.8	D58 L61 P66 V471 I550 S552 A559	D58-Q555 PolarHBondContact OD1-NE2 2.8Å; D58-Q555 PolarHBondContact OD2-NE2 2.65Å; L61-Q555 HydrophobicContact CD2-CG 4.21Å; P66-Q555 WeakPolarHBondContact CB-O 3.14Å; V471-Q555 HydrophobicContact CG1-CG 3.89Å; V471-Q555 HydrophobicContact CG2-CG 4.22Å; I550-Q555 HydrophobicContact CB-CB 4.27Å; I550-Q555 HydrophobicContact CD1-CB 3.99Å; I550-Q555 HydrophobicContact CG2-CB 4.39Å; S552-Q555 PolarHBondContact O-N 3.39Å; S552-Q555 PolarHBondContact OG-N 2.88Å; Q555-A559 WeakPolarHBondContact O-CB 3.5Å; Q555-A559 PolarHBondContact O-N 2.89Å
556	Y	93.6	Very high	91.6	Very high	4 Å²	4	17.1 Å²	17.1	2%	0.016	9%	0.087	C	C	.	.	H	α-helix	trans	-66.3	-57	178.1	177.7	-102.4	0	0	0	110.6	H525 I527 P528 T536 I537 L538 I550 S552 I553 D554 K558 A559 L560	H525-Y556 AromaticContact NE2-CE1 3.97Å; H525-Y556 AromaticContact NE2-CZ 3.86Å; H525-Y556 PolarHBondContact NE2-OH 3.4Å; I527-Y556 HydrophobicContact CG1-CD1 4.27Å; I527-Y556 HydrophobicContact CG1-CE1 4.25Å; I527-Y556 HydrophobicContact CG2-CD1 3.98Å; I527-Y556 HydrophobicContact CG2-CE1 4.23Å; I527-Y556 HydrophobicContact CG2-CG 4.37Å; P528-Y556 WeakPolarHBondContact CD-OH 3.36Å; P528-Y556 HydrophobicContact CG-CE2 3.84Å; T536-Y556 HydrophobicContact CG2-CD1 4.41Å; T536-Y556 HydrophobicContact CG2-CD2 3.48Å; T536-Y556 VanDerWaalsContact CG2-CD2 3.48Å; T536-Y556 HydrophobicContact CG2-CE2 4.14Å; T536-Y556 HydrophobicContact CG2-CG 3.65Å; I537-Y556 WeakPolarHBondContact O-CE2 3.22Å; L538-Y556 HydrophobicContact CD2-CD2 4.23Å; I550-Y556 HydrophobicContact CD1-CD2 4.08Å; I550-Y556 HydrophobicContact CD1-CG 4.22Å; S552-Y556 PolarHBondContact O-N 3.02Å; I553-Y556 WeakPolarHBondContact O-CA 3.28Å; I553-Y556 VanDerWaalsContact O-CB 3.27Å; I553-Y556 WeakPolarHBondContact O-CB 3.42Å; I553-Y556 PolarHBondContact O-N 3.03Å; I553-Y556 VanDerWaalsContact O-N 3.1Å; D554-Y556 PolarHBondContact O-N 3.39Å; D554-Y556 VanDerWaalsContact O-N 3.15Å; Y556-K558 VanDerWaalsContact C-N 3.32Å; Y556-K558 PolarHBondContact O-N 3.46Å; Y556-A559 WeakPolarHBondContact O-CB 3.43Å; Y556-A559 PolarHBondContact O-N 3.01Å; Y556-A559 VanDerWaalsContact O-N 3.08Å; Y556-L560 HydrophobicContact CD1-CD1 4.14Å; Y556-L560 HydrophobicContact CE1-CD1 3.49Å; Y556-L560 VanDerWaalsContact CE1-CD1 3.49Å; Y556-L560 HydrophobicContact CE1-CG 4.13Å; Y556-L560 HydrophobicContact CE2-CD2 4.34Å; Y556-L560 WeakPolarHBondContact O-CG 3.44Å; Y556-L560 PolarHBondContact O-N 2.91Å
557	V	94.6	Very high	91.6	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-58.4	-47.1	-178.5	176.2	0	0	0	0	110.1	Y482 Y502 L504 L514 I553 D554 A559 L560 V561	Y482-V557 HydrophobicContact CE2-CG1 4.23Å; Y502-V557 HydrophobicContact CD2-CG1 3.97Å; Y502-V557 HydrophobicContact CE2-CG1 3.38Å; L504-V557 HydrophobicContact CD2-CG2 4.38Å; L514-V557 HydrophobicContact CD1-CG1 4.16Å; L514-V557 HydrophobicContact CD1-CG2 4.15Å; L514-V557 HydrophobicContact CD2-CG2 4.35Å; I553-V557 HydrophobicContact CG2-CG2 4.21Å; I553-V557 WeakPolarHBondContact O-CG2 3.38Å; I553-V557 PolarHBondContact O-N 2.87Å; D554-V557 PolarHBondContact O-N 3.01Å; V557-A559 VanDerWaalsContact C-N 3.32Å; V557-A559 PolarHBondContact O-N 3.39Å; V557-L560 WeakPolarHBondContact O-CB 3.32Å; V557-L560 PolarHBondContact O-N 3.22Å; V557-V561 VanDerWaalsContact O-CG2 3.31Å; V557-V561 WeakPolarHBondContact O-CG2 3.4Å; V557-V561 PolarHBondContact O-N 3.48Å
558	K	93.3	Very high	91.6	Very high	2 Å²	2	19 Å²	19	1%	0.009	10%	0.096	C	C	.	.	H	α-helix	trans	-66	-32.7	178.7	-58.5	-64.9	177.2	-178	0	111.8	P66 N468 N470 V471 Y502 D554 Y556 V561 R562	P66-K558 HydrophobicContact CB-CB 4.16Å; P66-K558 HydrophobicContact CG-CB 3.6Å; P66-K558 WeakPolarHBondContact CG-O 2.99Å; N468-K558 WeakPolarHBondContact O-CD 3.3Å; N470-K558 WeakPolarHBondContact O-CD 3.39Å; N470-K558 WeakPolarHBondContact O-CE 3.39Å; V471-K558 HydrophobicContact CG2-CB 4.16Å; V471-K558 HydrophobicContact CG2-CG 4.23Å; Y502-K558 PolarHBondContact OH-NZ 2.8Å; D554-K558 VanDerWaalsContact O-CB 3.3Å; D554-K558 WeakPolarHBondContact O-CB 3.41Å; D554-K558 WeakPolarHBondContact O-CG 2.84Å; D554-K558 PolarHBondContact O-N 2.83Å; D554-K558 WeakPolarHBondContact OD1-CE 3.43Å; Y556-K558 VanDerWaalsContact C-N 3.32Å; Y556-K558 PolarHBondContact O-N 3.46Å; K558-V561 PolarHBondContact O-N 3.29Å; K558-R562 VanDerWaalsContact O-CB 3.24Å; K558-R562 WeakPolarHBondContact O-CB 3.45Å; K558-R562 PolarHBondContact O-N 2.78Å
559	A	93	Very high	91.5	Very high	2 Å²	2	18.8 Å²	18.8	2%	0.017	10%	0.096	C	C	.	.	H	α-helix	trans	-64.3	-42.9	173.4	0	0	0	0	0	110.9	P66 L538 Q555 Y556 V557 V561 R562 C563	P66-A559 HydrophobicContact CB-CB 4.11Å; P66-A559 HydrophobicContact CG-CB 4.29Å; L538-A559 HydrophobicContact CD2-CB 3.99Å; Q555-A559 WeakPolarHBondContact O-CB 3.5Å; Q555-A559 PolarHBondContact O-N 2.89Å; Y556-A559 WeakPolarHBondContact O-CB 3.43Å; Y556-A559 PolarHBondContact O-N 3.01Å; Y556-A559 VanDerWaalsContact O-N 3.08Å; V557-A559 VanDerWaalsContact C-N 3.32Å; V557-A559 PolarHBondContact O-N 3.39Å; A559-V561 VanDerWaalsContact C-N 3.33Å; A559-V561 PolarHBondContact O-N 3.43Å; A559-R562 PolarHBondContact O-N 2.88Å; A559-C563 VanDerWaalsContact O-CB 3.3Å; A559-C563 WeakPolarHBondContact O-CB 3.33Å; A559-C563 PolarHBondContact O-N 3.23Å
560	L	95	Very high	91.7	Very high	2 Å²	2	18.8 Å²	18.8	1%	0.01	10%	0.096	C	C	.	.	H	α-helix	trans	-59.2	-45	173.5	-58.6	-177	0	0	0	111.3	L514 P539 Y556 V557 C563 Q564 Y565 V567 P572	L514-L560 HydrophobicContact CD2-CD1 4.2Å; P539-L560 HydrophobicContact CG-CD2 3.75Å; Y556-L560 HydrophobicContact CD1-CD1 4.14Å; Y556-L560 HydrophobicContact CE1-CD1 3.49Å; Y556-L560 VanDerWaalsContact CE1-CD1 3.49Å; Y556-L560 HydrophobicContact CE1-CG 4.13Å; Y556-L560 HydrophobicContact CE2-CD2 4.34Å; Y556-L560 WeakPolarHBondContact O-CG 3.44Å; Y556-L560 PolarHBondContact O-N 2.91Å; V557-L560 WeakPolarHBondContact O-CB 3.32Å; V557-L560 PolarHBondContact O-N 3.22Å; L560-C563 PolarHBondContact O-N 3.42Å; L560-Q564 CarbonylContact O-C 3.54Å; L560-Q564 VanDerWaalsContact O-CA 3.32Å; L560-Q564 WeakPolarHBondContact O-CA 3.33Å; L560-Q564 PolarHBondContact O-N 3.04Å; L560-Y565 HydrophobicContact CD2-CD1 3.93Å; L560-Y565 HydrophobicContact CD2-CG 4.22Å; L560-Y565 PolarHBondContact O-N 2.71Å; L560-V567 HydrophobicContact CD1-CG1 3.68Å; L560-V567 HydrophobicContact CD1-CG2 4.11Å; L560-V567 HydrophobicContact CD2-CG1 3.95Å; L560-V567 HydrophobicContact CG-CG1 4.46Å; L560-P572 HydrophobicContact CB-CG 3.64Å; L560-P572 HydrophobicContact CD1-CG 4.21Å
561	V	94	Very high	92	Very high	6 Å²	6	18.7 Å²	18.7	4%	0.036	10%	0.095	C	C	.	.	H	α-helix	trans	-64.7	-47.9	177.6	-179.1	0	0	0	0	111.1	N468 I469 Y502 V557 K558 A559 C563 Q564 P572	N468-V561 HydrophobicContact CB-CG1 4.24Å; I469-V561 HydrophobicContact CG2-CB 4.42Å; I469-V561 HydrophobicContact CG2-CG1 3.79Å; Y502-V561 HydrophobicContact CE1-CG2 3.63Å; V557-V561 VanDerWaalsContact O-CG2 3.31Å; V557-V561 WeakPolarHBondContact O-CG2 3.4Å; V557-V561 PolarHBondContact O-N 3.48Å; K558-V561 PolarHBondContact O-N 3.29Å; A559-V561 VanDerWaalsContact C-N 3.33Å; A559-V561 PolarHBondContact O-N 3.43Å; V561-C563 PolarHBondContact O-N 3.48Å; V561-Q564 PolarHBondContact O-N 3.44Å; V561-Q564 PolarHBondContact O-NE2 3.31Å; V561-P572 HydrophobicContact CG2-CB 3.97Å; V561-P572 HydrophobicContact CG2-CG 4.13Å
562	R	90.4	Very high	92.7	Very high	37 Å²	37	15 Å²	15	14%	0.14	8%	0.079	C	C	.	.	H	α-helix	trans	-58.8	-37.5	179.6	180	179.8	176.9	-159.6	-9.1	111.6	P66 R68 E146 I469 K558 A559	P66-R562 HydrophobicContact CG-CB 4.32Å; P66-R562 WeakPolarHBondContact O-CD 3.38Å; P66-R562 PolarHBondContact O-NH1 2.92Å; R68-R562 VanDerWaalsContact CZ-NH2 3.31Å; E146-R562 IonicContact OE1-CZ 2.76Å; E146-R562 IonicContact OE1-NH1 2.64Å; E146-R562 IonicContact OE1-NH2 3.68Å; E146-R562 PolarHBondContact OE1-NH2 3.07Å; E146-R562 IonicContact OE2-CZ 3.26Å; E146-R562 IonicContact OE2-NH1 3.9Å; E146-R562 PolarHBondContact OE2-NH1 3.34Å; E146-R562 IonicContact OE2-NH2 2.82Å; E146-R562 PolarHBondContact OE2-NH2 3.17Å; I469-R562 HydrophobicContact CB-CB 4.49Å; I469-R562 HydrophobicContact CG2-CB 4.21Å; K558-R562 VanDerWaalsContact O-CB 3.24Å; K558-R562 WeakPolarHBondContact O-CB 3.45Å; K558-R562 PolarHBondContact O-N 2.78Å; A559-R562 PolarHBondContact O-N 2.88Å
563	C	91.1	Very high	93	Very high	18 Å²	18	15.8 Å²	15.8	12%	0.122	8%	0.077	C	C	.	.	H	α-helix	trans	-94.9	-5.3	-178.3	-70.5	0	0	0	0	114.1	E72 A559 L560 V561 Y565	E72-C563 HydrophobicContact CB-CB 4.3Å; E72-C563 HydrophobicContact CG-CB 3.85Å; A559-C563 VanDerWaalsContact O-CB 3.3Å; A559-C563 WeakPolarHBondContact O-CB 3.33Å; A559-C563 PolarHBondContact O-N 3.23Å; L560-C563 PolarHBondContact O-N 3.42Å; V561-C563 PolarHBondContact O-N 3.48Å; C563-Y565 PolarHBondContact O-N 2.82Å
564	Q	91.3	Very high	93	Very high	27 Å²	27	17.3 Å²	17.3	13%	0.126	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	41.2	-170.1	-63.7	-67	-64.9	0	0	111.6	N280 K289 L560 V561 V571	N280-Q564 HydrophobicContact CB-CG 4.3Å; K289-Q564 WeakPolarHBondContact CE-O 3.36Å; K289-Q564 PolarHBondContact NZ-O 3.34Å; L560-Q564 CarbonylContact O-C 3.54Å; L560-Q564 VanDerWaalsContact O-CA 3.32Å; L560-Q564 WeakPolarHBondContact O-CA 3.33Å; L560-Q564 PolarHBondContact O-N 3.04Å; V561-Q564 PolarHBondContact O-N 3.44Å; V561-Q564 PolarHBondContact O-NE2 3.31Å; Q564-V571 HydrophobicContact CB-CG1 4.05Å
565	Y	92.4	Very high	93.1	Very high	45 Å²	45	18 Å²	18	18%	0.176	9%	0.091	C	C	.	.			trans	-76.1	136.6	-176.8	-163.7	-89.2	0	0	0	110.1	L71 E72 P539 L560 C563 V567	L71-Y565 HydrophobicContact CD1-CD2 4.49Å; L71-Y565 HydrophobicContact CD1-CE2 3.97Å; L71-Y565 HydrophobicContact CD2-CE2 4.2Å; E72-Y565 HydrophobicContact CG-CD2 4.47Å; P539-Y565 HydrophobicContact CB-CD1 3.89Å; P539-Y565 HydrophobicContact CB-CD2 4.3Å; P539-Y565 HydrophobicContact CB-CE1 3.3Å; P539-Y565 HydrophobicContact CB-CE2 3.78Å; P539-Y565 HydrophobicContact CB-CG 4.35Å; P539-Y565 WeakPolarHBondContact CB-OH 3.25Å; P539-Y565 HydrophobicContact CG-CD1 3.66Å; P539-Y565 HydrophobicContact CG-CE1 3.58Å; P539-Y565 HydrophobicContact CG-CE2 4.44Å; P539-Y565 HydrophobicContact CG-CG 4.14Å; L560-Y565 HydrophobicContact CD2-CD1 3.93Å; L560-Y565 HydrophobicContact CD2-CG 4.22Å; L560-Y565 PolarHBondContact O-N 2.71Å; C563-Y565 PolarHBondContact O-N 2.82Å; Y565-V567 HydrophobicContact CD1-CG1 4.11Å
566	S	93	Very high	93.2	Very high	15 Å²	15	19.3 Å²	19.3	11%	0.105	10%	0.098	C	C	.	.			trans	-85.1	126.5	178.6	-179.1	0	0	0	0	109.2	D212 G569 A570	D212-S566 WeakPolarHBondContact OD2-CB 3.44Å; D212-S566 PolarHBondContact OD2-OG 2.95Å; S566-G569 WeakPolarHBondContact OG-CA 3.43Å; S566-A570 CarbonylContact C-O 3.44Å; S566-A570 WeakPolarHBondContact CA-O 2.96Å
567	V	92.7	Very high	92.9	Very high	8 Å²	8	21.9 Å²	21.9	5%	0.048	11%	0.11	C	C	.	.	B	Isolated β-bridge	trans	-120.2	122.4	170.7	-67.6	0	0	0	0	108.3	I516 H525 L560 Y565 G569 A570	I516-V567 HydrophobicContact CD1-CG2 3.59Å; H525-V567 HydrophobicContact CB-CG2 4.09Å; L560-V567 HydrophobicContact CD1-CG1 3.68Å; L560-V567 HydrophobicContact CD1-CG2 4.11Å; L560-V567 HydrophobicContact CD2-CG1 3.95Å; L560-V567 HydrophobicContact CG-CG1 4.46Å; Y565-V567 HydrophobicContact CD1-CG1 4.11Å; V567-G569 PolarHBondContact O-N 2.75Å; V567-G569 VanDerWaalsContact O-N 3.1Å; V567-A570 PolarHBondContact N-O 3.48Å; V567-A570 PolarHBondContact O-N 3.01Å
568	D	92.3	Very high	91.7	Very high	86 Å²	86	24.9 Å²	24.9	46%	0.46	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.6	38.6	-177.2	-57.6	-42.5	0	0	0	113.6	V523 H525 A570	V523-D568 HydrophobicContact CG1-CB 3.59Å; H525-D568 IonicContact CE1-OD2 3.77Å; H525-D568 IonicContact CG-OD2 3.47Å; H525-D568 IonicContact ND1-OD2 3.91Å; H525-D568 PolarHBondContact ND1-OD2 2.89Å; D568-A570 VanDerWaalsContact C-N 3.33Å; D568-A570 PolarHBondContact O-N 2.94Å
569	G	92.2	Very high	90.1	Very high	3 Å²	3	32.6 Å²	32.6	3%	0.031	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.4	9.1	179.2	0	0	0	0	0	115.2	W234 W518 S566 V567	W234-G569 PolarHBondContact NE1-O 3.2Å; W518-G569 PolarHBondContact NE1-O 2.82Å; S566-G569 WeakPolarHBondContact OG-CA 3.43Å; V567-G569 PolarHBondContact O-N 2.75Å; V567-G569 VanDerWaalsContact O-N 3.1Å
570	A	95.7	Very high	88	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-122.6	148.3	178.8	0	0	0	0	0	112.3	I516 W518 V523 S566 V567 D568	I516-A570 HydrophobicContact CB-CB 3.99Å; I516-A570 HydrophobicContact CD1-CB 4.09Å; I516-A570 HydrophobicContact CG2-CB 3.94Å; W518-A570 HydrophobicContact CB-CB 3.63Å; W518-A570 HydrophobicContact CD2-CB 4.4Å; W518-A570 HydrophobicContact CG-CB 3.97Å; V523-A570 HydrophobicContact CB-CB 3.83Å; V523-A570 HydrophobicContact CG1-CB 4.15Å; V523-A570 HydrophobicContact CG2-CB 3.81Å; S566-A570 CarbonylContact C-O 3.44Å; S566-A570 WeakPolarHBondContact CA-O 2.96Å; V567-A570 PolarHBondContact N-O 3.48Å; V567-A570 PolarHBondContact O-N 3.01Å; D568-A570 VanDerWaalsContact C-N 3.33Å; D568-A570 PolarHBondContact O-N 2.94Å
571	V	95.7	Very high	85.6	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.187	C	C	.	.			trans	-119.1	115.4	178.7	-177.9	0	0	0	0	110.1	W234 G500 W518 Q564	W234-V571 HydrophobicContact CH2-CG2 3.84Å; W234-V571 HydrophobicContact CZ2-CG2 4.06Å; G500-V571 WeakPolarHBondContact CA-O 3.35Å; W518-V571 HydrophobicContact CE3-CB 4.28Å; W518-V571 HydrophobicContact CH2-CB 3.82Å; W518-V571 HydrophobicContact CH2-CG2 4Å; W518-V571 HydrophobicContact CZ2-CG2 4.42Å; W518-V571 HydrophobicContact CZ3-CB 3.61Å; W518-V571 HydrophobicContact CZ3-CG2 4.25Å; W518-V571 WeakPolarHBondContact CZ3-O 2.93Å; Q564-V571 HydrophobicContact CB-CG1 4.05Å
572	P	95.5	Very high	83.4	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.206	C	C	.	.			trans	-71	140.3	176.6	29.9	-32.2	0	0	0	110.9	Y502 L514 I516 L560 V561	Y502-P572 HydrophobicContact CD1-CB 3.6Å; Y502-P572 HydrophobicContact CE1-CB 4.09Å; Y502-P572 HydrophobicContact CG-CB 4Å; L514-P572 HydrophobicContact CD2-CB 4.39Å; L514-P572 HydrophobicContact CD2-CG 4.37Å; I516-P572 HydrophobicContact CD1-CB 4.06Å; I516-P572 HydrophobicContact CD1-CG 4.21Å; I516-P572 HydrophobicContact CG1-CB 4.4Å; L560-P572 HydrophobicContact CB-CG 3.64Å; L560-P572 HydrophobicContact CD1-CG 4.21Å; V561-P572 HydrophobicContact CG2-CB 3.97Å; V561-P572 HydrophobicContact CG2-CG 4.13Å
573	R	92.7	Very high	81.3	Confident	46 Å²	46	48.9 Å²	48.9	17%	0.174	23%	0.233	C	C	.	.			trans	-138.1	-53.4	-174.7	-65.4	177.4	167.3	-135.5	-31.9	113.5	N280 Q287 N468 G500	N280-R573 PolarHBondContact O-NH1 3.49Å; N280-R573 PolarHBondContact O-NH2 3.29Å; Q287-R573 VanDerWaalsContact NE2-CZ 3.32Å; N468-R573 WeakPolarHBondContact CB-O 3.28Å; N468-R573 VanDerWaalsContact CG-O 3.3Å; N468-R573 PolarHBondContact ND2-O 2.84Å; G500-R573 WeakPolarHBondContact O-CA 3.41Å; G500-R573 WeakPolarHBondContact O-CB 3.29Å; G500-R573 PolarHBondContact O-N 3.09Å
574	N	92.1	Very high	79.2	Confident	57 Å²	57	50.8 Å²	50.8	31%	0.305	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	118.9	-172.7	-48.6	-53.1	0	0	0	109.9	N468 G500 D501 Y502 I576	N468-N574 PolarHBondContact ND2-OD1 2.76Å; G500-N574 PolarHBondContact O-N 3.14Å; D501-N574 CarbonylContact C-O 3.55Å; D501-N574 WeakPolarHBondContact CA-O 3.4Å; D501-N574 WeakPolarHBondContact OD1-CB 3.43Å; D501-N574 PolarHBondContact OD1-ND2 2.77Å; Y502-N574 VanDerWaalsContact CD1-C 3.44Å; Y502-N574 WeakPolarHBondContact CD1-O 3.25Å; Y502-N574 PolarHBondContact N-O 3.47Å; N574-I576 PolarHBondContact O-N 3.39Å
575	A	93.7	Very high	77	Confident	13 Å²	13	55 Å²	55	11%	0.107	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	123.7	172.7	0	0	0	0	0	109.3	Y482 Y502 Q577	Y482-A575 HydrophobicContact CD1-CB 4.1Å; Y482-A575 HydrophobicContact CG-CB 4.03Å; Y502-A575 HydrophobicContact CE1-CB 4.22Å; Y502-A575 VanDerWaalsContact CE1-N 3.35Å; Y502-A575 HydrophobicContact CE2-CB 3.76Å; A575-Q577 PolarHBondContact O-N 2.92Å
576	I	93.5	Very high	74.5	Confident	35 Å²	35	58.6 Å²	58.6	18%	0.179	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-79	118.7	167.8	-59.2	-50.8	0	0	0	107.9	Y482 F484 L495 L496 D501 Y502 N574	Y482-I576 WeakPolarHBondContact CA-O 3.41Å; Y482-I576 WeakPolarHBondContact CB-O 3.39Å; F484-I576 VanDerWaalsContact CE2-O 3.31Å; F484-I576 WeakPolarHBondContact CE2-O 3.32Å; F484-I576 HydrophobicContact CZ-CG2 4.09Å; L495-I576 HydrophobicContact CB-CG2 4.47Å; L495-I576 HydrophobicContact CD2-CG2 4.35Å; L496-I576 HydrophobicContact CD2-CB 4.37Å; L496-I576 HydrophobicContact CD2-CG1 3.61Å; D501-I576 HydrophobicContact CB-CD1 3.99Å; D501-I576 HydrophobicContact CB-CG1 4.11Å; Y502-I576 PolarHBondContact O-N 2.89Å; N574-I576 PolarHBondContact O-N 3.39Å
577	Q	86.7	Confident	72	Confident	57 Å²	57	67.5 Å²	67.5	27%	0.266	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-92.9	133.8	-175.2	-64	-173.4	-47.2	0	0	112.1	S481 A575 Y579 A580	S481-Q577 CarbonylContact O-C 3.56Å; S481-Q577 WeakPolarHBondContact O-CA 3.39Å; S481-Q577 PolarHBondContact OG-NE2 3.16Å; S481-Q577 VanDerWaalsContact OG-NE2 3.08Å; A575-Q577 PolarHBondContact O-N 2.92Å; Q577-Y579 VanDerWaalsContact C-N 3.33Å; Q577-Y579 PolarHBondContact O-N 3.26Å; Q577-A580 WeakPolarHBondContact O-CB 3.34Å; Q577-A580 PolarHBondContact O-N 2.95Å; Q577-A580 VanDerWaalsContact O-N 3.13Å
578	E	69.5	Low	69.5	Low	63 Å²	63	76.7 Å²	76.7	29%	0.294	34%	0.343	S	S	.	.	H	α-helix	trans	-61	-37.3	-176.9	-170.7	-179.9	-156	0	0	112.7	S481 F484 A580 W581 E582	S481-E578 PolarHBondContact O-N 2.87Å; F484-E578 HydrophobicContact CD1-CG 4.42Å; F484-E578 HydrophobicContact CE1-CB 4.2Å; F484-E578 HydrophobicContact CE1-CG 4.16Å; F484-E578 HydrophobicContact CE2-CB 4.43Å; F484-E578 HydrophobicContact CZ-CB 4.04Å; E578-A580 PolarHBondContact O-N 3.39Å; E578-W581 WeakPolarHBondContact O-CA 3.25Å; E578-W581 WeakPolarHBondContact O-CB 3.45Å; E578-W581 PolarHBondContact O-N 3.47Å; E578-E582 PolarHBondContact O-N 3.37Å; E578-E582 VanDerWaalsContact O-N 3.08Å
579	Y	59	Low	66.9	Low	164 Å²	164	81.7 Å²	81.7	64%	0.643	36%	0.356	S	S	*	.	H	α-helix	trans	-57.6	-23	177	-70.6	-77.2	0	0	0	113.9	Q577	Q577-Y579 VanDerWaalsContact C-N 3.33Å; Q577-Y579 PolarHBondContact O-N 3.26Å
580	A	50.4	Low	64.1	Low	67 Å²	67	88.3 Å²	88.3	55%	0.554	39%	0.385	S	S	*	.	H	α-helix	trans	-76.4	-26.6	173.5	0	0	0	0	0	112.3	Q577 E578 S584	Q577-A580 WeakPolarHBondContact O-CB 3.34Å; Q577-A580 PolarHBondContact O-N 2.95Å; Q577-A580 VanDerWaalsContact O-N 3.13Å; E578-A580 PolarHBondContact O-N 3.39Å; A580-S584 PolarHBondContact O-OG 3.33Å
581	W	43.6	Very low	61.1	Low	44 Å²	44	96.4 Å²	96.4	17%	0.167	42%	0.424	C	S	.	.	H	α-helix	trans	-88.8	-41.5	-178.3	-169.9	77.9	0	0	0	113.1	F484 L495 E578 R583 S584 R585	F484-W581 HydrophobicContact CE1-CB 4.33Å; L495-W581 HydrophobicContact CD2-CB 4.45Å; L495-W581 VanDerWaalsContact CD2-CD1 3.47Å; L495-W581 HydrophobicContact CD2-CG 4.09Å; E578-W581 WeakPolarHBondContact O-CA 3.25Å; E578-W581 WeakPolarHBondContact O-CB 3.45Å; E578-W581 PolarHBondContact O-N 3.47Å; W581-R583 VanDerWaalsContact C-N 3.32Å; W581-R583 PolarHBondContact O-N 2.85Å; W581-S584 CarbonylContact O-C 3.57Å; W581-S584 WeakPolarHBondContact O-CA 3.45Å; W581-S584 VanDerWaalsContact O-CB 3.3Å; W581-S584 WeakPolarHBondContact O-CB 3.36Å; W581-S584 PolarHBondContact O-N 2.9Å; W581-R585 PolarHBondContact O-N 2.72Å
582	E	48.6	Very low	58.2	Low	92 Å²	92	101.9 Å²	101.9	43%	0.43	46%	0.459	S	S	.	.	H	α-helix	trans	-60.4	-39	177.5	-76.4	-160.7	137.8	0	0	112.4	E578 S584 R585 F586	E578-E582 PolarHBondContact O-N 3.37Å; E578-E582 VanDerWaalsContact O-N 3.08Å; E582-S584 PolarHBondContact O-N 3.48Å; E582-R585 PolarHBondContact O-N 2.94Å; E582-R585 VanDerWaalsContact O-N 3.16Å; E582-F586 WeakPolarHBondContact O-CD2 3.03Å; E582-F586 PolarHBondContact O-N 2.79Å
583	R	44.8	Very low	55.2	Low	186 Å²	186	105 Å²	105	70%	0.702	49%	0.491	S	S	*	.	H	α-helix	trans	-62.4	-32.4	172.3	-69.5	-172.5	-160.4	-175.4	5.9	112.9	W581 R587	W581-R583 VanDerWaalsContact C-N 3.32Å; W581-R583 PolarHBondContact O-N 2.85Å; R583-R587 WeakPolarHBondContact O-CB 3.48Å; R583-R587 WeakPolarHBondContact O-CG 3.33Å; R583-R587 PolarHBondContact O-N 3.21Å; R583-R587 VanDerWaalsContact O-N 3.13Å
584	S	48.4	Very low	52.3	Low	58 Å²	58	109.9 Å²	109.9	41%	0.406	52%	0.52	S	S	.	.	H	α-helix	trans	-75.6	-28.3	177.6	-57	0	0	0	0	112.1	A580 W581 E582 R588	A580-S584 PolarHBondContact O-OG 3.33Å; W581-S584 CarbonylContact O-C 3.57Å; W581-S584 WeakPolarHBondContact O-CA 3.45Å; W581-S584 VanDerWaalsContact O-CB 3.3Å; W581-S584 WeakPolarHBondContact O-CB 3.36Å; W581-S584 PolarHBondContact O-N 2.9Å; E582-S584 PolarHBondContact O-N 3.48Å; S584-R588 PolarHBondContact O-N 3.08Å
585	R	44	Very low	49.4	Very low	116 Å²	116	114.6 Å²	114.6	44%	0.438	55%	0.545	S	S	.	.	H	α-helix	trans	-80.2	-41.2	174.9	-134.3	-176	-170.7	-178.2	9.2	112.1	E491 W581 E582 R588 R589	E491-R585 IonicContact OE1-NH2 3.91Å; W581-R585 PolarHBondContact O-N 2.72Å; E582-R585 PolarHBondContact O-N 2.94Å; E582-R585 VanDerWaalsContact O-N 3.16Å; R585-R588 PolarHBondContact O-N 3.31Å; R585-R589 PolarHBondContact O-N 3.08Å; R585-R589 VanDerWaalsContact O-N 3.12Å
586	F	41.4	Very low	46.6	Very low	120 Å²	120	121.8 Å²	121.8	53%	0.526	58%	0.581	S	S	.	*	H	α-helix	trans	-65.8	-40.5	175.4	-90.6	-83.3	0	0	0	112	E582 R588 R589 E590	E582-F586 WeakPolarHBondContact O-CD2 3.03Å; E582-F586 PolarHBondContact O-N 2.79Å; F586-R588 VanDerWaalsContact C-N 3.28Å; F586-R588 PolarHBondContact O-N 2.82Å; F586-R589 PolarHBondContact O-N 3.21Å; F586-E590 PolarHBondContact O-N 3.07Å
587	R	40.7	Very low	43.7	Very low	202 Å²	202	125.9 Å²	125.9	76%	0.762	60%	0.603	S	S	*	*	H	α-helix	trans	-62.9	-31	173.1	-77.5	-174.3	-173.4	-175.6	2.7	114	R583	R583-R587 WeakPolarHBondContact O-CB 3.48Å; R583-R587 WeakPolarHBondContact O-CG 3.33Å; R583-R587 PolarHBondContact O-N 3.21Å; R583-R587 VanDerWaalsContact O-N 3.13Å
588	R	40.2	Very low	41.3	Very low	202 Å²	202	131 Å²	131	76%	0.762	63%	0.63	S	S	*	*	H	α-helix	trans	-77.7	-18.6	173.5	-90.1	-168.5	-89.9	-172.2	-7.6	113.7	S584 R585 F586	S584-R588 PolarHBondContact O-N 3.08Å; R585-R588 PolarHBondContact O-N 3.31Å; F586-R588 VanDerWaalsContact C-N 3.28Å; F586-R588 PolarHBondContact O-N 2.82Å
589	R	35.7	Very low	39.7	Very low	191 Å²	191	136 Å²	136	72%	0.721	68%	0.682	S	S	*	*	H	α-helix	trans	-88.9	-21.7	172.7	-77.3	-174.2	176.7	-175.9	0.3	113	R585 F586	R585-R589 PolarHBondContact O-N 3.08Å; R585-R589 VanDerWaalsContact O-N 3.12Å; F586-R589 PolarHBondContact O-N 3.21Å
590	E	34.6	Very low	38.7	Very low	141 Å²	141	134.6 Å²	134.6	66%	0.659	68%	0.684	S	S	*	*			trans	-93.5	22.2	179.4	-71.1	-172.1	169.2	0	0	114.3	F586 P592	F586-E590 PolarHBondContact O-N 3.07Å; E590-P592 WeakPolarHBondContact O-CD 3.43Å
591	E	32.3	Very low	38.1	Very low	171 Å²	171	138.1 Å²	138.1	80%	0.799	69%	0.691	S	S	*	*			trans	-85.6	96.1	152.1	-76.9	-165	171.1	0	0	107.6	G593	E591-G593 PolarHBondContact O-N 2.84Å
592	P	35.6	Very low	37.8	Very low	115 Å²	115	143.3 Å²	143.3	75%	0.747	72%	0.72	S	S	*	*			trans	-83.8	105.3	-178.6	6.9	16.2	0	0	0	106.2	E590 N594	E590-P592 WeakPolarHBondContact O-CD 3.43Å; P592-N594 PolarHBondContact O-N 3.24Å
593	G	32.6	Very low	37.2	Very low	64 Å²	64	146.4 Å²	146.4	66%	0.66	74%	0.737	S	S	*	*			trans	-51.1	135.4	148.3	0	0	0	0	0	109.1	E591	E591-G593 PolarHBondContact O-N 2.84Å
594	N	31.7	Very low	36.7	Very low	149 Å²	149	143.9 Å²	143.9	80%	0.797	74%	0.739	S	S	*	*			trans	79.1	81.6	164	-55.9	-23.2	0	0	0	117.3	P592	P592-N594 PolarHBondContact O-N 3.24Å
595	L	29.7	Very low	35.9	Very low	157 Å²	157	149.6 Å²	149.6	82%	0.822	76%	0.761	S	S	*	*			trans	-113.2	74.4	132.6	-85.4	163.1	0	0	0	108.4
596	L	35.6	Very low	35.3	Very low	164 Å²	164	152 Å²	152	86%	0.859	78%	0.784	S	S	*	*			trans	-104.1	89	151.2	-95.8	159.4	0	0	0	106
597	D	31.7	Very low	34.8	Very low	120 Å²	120	154.5 Å²	154.5	64%	0.642	80%	0.804	S	S	*	*			trans	-53.8	146.8	153.8	-73.2	-47.8	0	0	0	109.5
598	I	38.1	Very low	34.4	Very low	165 Å²	165	150.5 Å²	150.5	85%	0.846	81%	0.808	S	S	*	*				169.1	131.2	112.7	-80.1	154.1	0	0	0	108.4
599	A	34.6	Very low	33.8	Very low	167 Å²	167	145.8 Å²	145.8	100%	1.38	81%	0.812	S	S	*	*			trans	-58.9	0	173.4	0	0	0	0	0	114.5

Retrieved 599 of 599 residues in 442.3 ms (Link to these results)

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