A0A087XHW0_POEFO Loading...

Leucine-rich, glioma inactivated 1a

AlphaFold DB , UniProt , Accession A0A087XHW0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 545 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.4	Very low	29.9	Very low	237 Å²	237	186.1 Å²	186.1	100%	1.167	88%	0.879	S	S	*	*				0	66.7	0	-65	179.3	175.4	0	0	106.5
2	E	27.6	Very low	30.2	Very low	175 Å²	175	183.3 Å²	183.3	82%	0.818	87%	0.872	S	S	*	*				43.9	106.3	75.4	-95.7	-175.6	165.3	0	0	112.3
3	N	25.5	Very low	30.3	Very low	169 Å²	169	187.2 Å²	187.2	90%	0.904	87%	0.873	S	S	*	*			trans	-129.6	100.1	161.4	-92.3	-21.9	0	0	0	108.9
4	T	29.2	Very low	30.6	Very low	125 Å²	125	184.9 Å²	184.9	77%	0.767	87%	0.869	S	S	*	*	P	Polyproline II helix	trans	-73.2	140.6	168.9	46.2	0	0	0	0	111.6
5	C	26.2	Very low	30.8	Very low	134 Å²	134	177.8 Å²	177.8	91%	0.905	86%	0.864	S	S	*	*	P	Polyproline II helix	trans	-87.7	132	176	-157.6	0	0	0	0	111.2
6	R	26.9	Very low	31	Very low	240 Å²	240	176.1 Å²	176.1	91%	0.906	86%	0.86	S	S	*	*	P	Polyproline II helix	trans	-98.9	141.3	177.8	-86.5	-175.1	176.7	-177.5	0.3	111.7
7	I	33	Very low	31.1	Very low	156 Å²	156	176.3 Å²	176.3	80%	0.8	86%	0.864	S	S	*	*	P	Polyproline II helix	trans	-81.2	158.2	167.8	-60.2	162.8	0	0	0	110
8	P	32.1	Very low	31.2	Very low	123 Å²	123	172.7 Å²	172.7	80%	0.799	85%	0.854	S	S	*	*			trans	-131.8	147.1	136.4	31	-15.5	0	0	0	115.1
9	R	31.3	Very low	31.3	Very low	240 Å²	240	170.5 Å²	170.5	91%	0.906	85%	0.851	S	S	*	*			trans	-72.2	152	174.6	-82.1	168.7	147.8	168.4	-7.3	113.2
10	R	31.2	Very low	31.2	Very low	231 Å²	231	166.1 Å²	166.1	87%	0.872	84%	0.842	S	S	*	*			trans	-167.9	148.1	140.4	-102.4	168.4	178.5	-159.7	-0.1	109.7
11	W	32.6	Very low	31.2	Very low	217 Å²	217	163.3 Å²	163.3	82%	0.822	84%	0.838	S	S	*	*			cis	-161.8	149.9	-20.9	-109.6	27.8	0	0	0	104.4
12	L	32.8	Very low	31.2	Very low	152 Å²	152	158.4 Å²	158.4	80%	0.796	82%	0.821	S	S	*	*			trans	-78.2	144	176.8	-88.4	110.1	0	0	0	112.1
13	W	32.7	Very low	31.8	Very low	235 Å²	235	156.4 Å²	156.4	89%	0.89	82%	0.82	S	S	*	*			trans	-141.4	132.1	149.4	-85.7	89.7	0	0	0	110.1
14	L	34.3	Very low	32.2	Very low	155 Å²	155	153.5 Å²	153.5	81%	0.812	81%	0.811	S	S	*	*			trans	-82.3	145.2	173.3	-91	108	0	0	0	111.1
15	G	33.2	Very low	32.4	Very low	78 Å²	78	152.1 Å²	152.1	80%	0.804	81%	0.806	S	S	*	*			trans	-158	114.5	162.3	0	0	0	0	0	110.5
16	L	33.8	Very low	32.9	Very low	151 Å²	151	152.7 Å²	152.7	79%	0.791	81%	0.805	S	S	*	*			trans	-69.2	144.1	175.1	-96.1	109.4	0	0	0	111.9	V18	L16-V18 HydrophobicContact CD2-CG2 4.45Å
17	L	33.7	Very low	33.3	Very low	179 Å²	179	149.3 Å²	149.3	94%	0.937	80%	0.8	S	S	*	*			trans	-157.8	123.9	143.7	-101.9	162.4	0	0	0	110
18	V	32.4	Very low	33.6	Very low	112 Å²	112	146.8 Å²	146.8	68%	0.679	80%	0.796	S	S	*	*			trans	-99.5	137.3	172	-162	0	0	0	0	105.5	L16	L16-V18 HydrophobicContact CD2-CG2 4.45Å
19	V	32.8	Very low	33.9	Very low	130 Å²	130	150.4 Å²	150.4	79%	0.788	80%	0.799	S	S	*	*				172.3	134.6	73.6	174.1	0	0	0	0	102.4
20	A	29.2	Very low	34.4	Very low	83 Å²	83	150 Å²	150	69%	0.686	80%	0.798	S	S	*	*				-179.9	121.1	90.1	0	0	0	0	0	112.3
21	S	32.3	Very low	34.9	Very low	107 Å²	107	143.5 Å²	143.5	75%	0.748	79%	0.793	S	S	*	*			trans	16.9	112.7	141.6	54.5	0	0	0	0	121.1
22	V	31.6	Very low	35.7	Very low	135 Å²	135	144.6 Å²	144.6	82%	0.818	80%	0.797	S	S	*	*				-142.2	115.4	127.8	-177.2	0	0	0	0	108.2
23	V	40.8	Very low	36.8	Very low	132 Å²	132	146 Å²	146	80%	0.8	80%	0.8	S	S	*	*			trans	-82.5	134.5	167.7	174.1	0	0	0	0	108.1
24	P	34.4	Very low	38.4	Very low	109 Å²	109	139.5 Å²	139.5	71%	0.708	78%	0.779	S	S	*	*			trans	-117.9	132.9	137.5	6.8	13.4	0	0	0	110.5
25	S	32.4	Very low	40.3	Very low	95 Å²	95	142.8 Å²	142.8	66%	0.664	78%	0.781	S	S	*	*			trans	-30	127	169.4	48.9	0	0	0	0	115.5	E27	S25-E27 VanDerWaalsContact C-N 3.3Å; S25-E27 PolarHBondContact O-N 3.39Å
26	V	38.3	Very low	42.6	Very low	147 Å²	147	141.2 Å²	141.2	89%	0.891	76%	0.757	S	S	*	*			trans	-69.4	91.7	158.6	177.8	0	0	0	0	107.7	S28	V26-S28 PolarHBondContact O-N 3.17Å
27	E	35.4	Very low	44.8	Very low	168 Å²	168	135 Å²	135	79%	0.785	73%	0.726	S	S	*	*			trans	-81.6	106.7	160.9	-128.4	167.8	-170.2	0	0	107.2	S25 K29	S25-E27 VanDerWaalsContact C-N 3.3Å; S25-E27 PolarHBondContact O-N 3.39Å; E27-K29 VanDerWaalsContact C-N 3.29Å; E27-K29 PolarHBondContact O-N 2.82Å
28	S	38.6	Very low	46.8	Very low	103 Å²	103	135.8 Å²	135.8	72%	0.72	73%	0.727	S	S	*	*			trans	-57.7	94	167.2	160.2	0	0	0	0	108.5	V26 R30	V26-S28 PolarHBondContact O-N 3.17Å; S28-R30 VanDerWaalsContact C-N 3.3Å; S28-R30 PolarHBondContact O-N 2.97Å
29	K	37.9	Very low	48.9	Very low	200 Å²	200	132.6 Å²	132.6	87%	0.87	71%	0.71	S	S	*	*			trans	-61	94.9	165.8	-75.7	-178.1	179	174.7	0	107.7	E27 A31	E27-K29 VanDerWaalsContact C-N 3.29Å; E27-K29 PolarHBondContact O-N 2.82Å; K29-A31 PolarHBondContact O-N 3.34Å; K29-A31 VanDerWaalsContact O-N 3.07Å
30	R	41.9	Very low	51.1	Low	232 Å²	232	127.1 Å²	127.1	88%	0.875	68%	0.677	S	S	*	*			trans	-49.4	118.8	159.1	-87.6	-179.8	174.6	174.3	-1.5	106.5	S28 R32	S28-R30 VanDerWaalsContact C-N 3.3Å; S28-R30 PolarHBondContact O-N 2.97Å; R30-R32 PolarHBondContact O-N 2.75Å; R30-R32 VanDerWaalsContact O-N 3.09Å
31	A	41.8	Very low	53.8	Low	93 Å²	93	128.1 Å²	128.1	77%	0.769	67%	0.674	S	S	*	*			trans	-50.5	121.2	173.3	0	0	0	0	0	107.8	K29 Q33	K29-A31 PolarHBondContact O-N 3.34Å; K29-A31 VanDerWaalsContact O-N 3.07Å; A31-Q33 PolarHBondContact O-N 2.81Å
32	R	48.5	Very low	56.3	Low	241 Å²	241	124.7 Å²	124.7	91%	0.909	65%	0.65	S	S	*	*			trans	-55.9	109.4	174	-88.6	-179.6	169.7	176.6	-3.3	107	R30 Q34	R30-R32 PolarHBondContact O-N 2.75Å; R30-R32 VanDerWaalsContact O-N 3.09Å; R32-Q34 PolarHBondContact O-N 3.22Å
33	Q	56.1	Low	58.8	Low	182 Å²	182	122.1 Å²	122.1	85%	0.85	64%	0.635	S	S	*	*			trans	-54.7	114.2	168.7	-96.6	173.9	-26.4	0	0	107.3	A31 R35	A31-Q33 PolarHBondContact O-N 2.81Å; Q33-R35 PolarHBondContact O-N 2.72Å
34	Q	66	Low	60.6	Low	97 Å²	97	124.3 Å²	124.3	45%	0.453	63%	0.634	S	S	.	*	P	Polyproline II helix	trans	-64.9	125	175.8	-68.6	-149.8	-7.9	0	0	108.4	R32 S58 F59	R32-Q34 PolarHBondContact O-N 3.22Å; Q34-S58 PolarHBondContact OE1-OG 2.85Å; Q34-F59 PolarHBondContact OE1-O 2.8Å; Q34-F59 VanDerWaalsContact OE1-O 3.13Å
35	R	75.8	Confident	62.9	Low	224 Å²	224	122.8 Å²	122.8	85%	0.845	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-83.5	153.6	179.6	-67.3	-179	-177.1	171	-0.6	109.8	Q33	Q33-R35 PolarHBondContact O-N 2.72Å
36	C	79.9	Confident	65.2	Low	46 Å²	46	121 Å²	121	31%	0.311	60%	0.603	S	S	.	*	P	Polyproline II helix	trans	-58.9	135.4	173.6	-170.5	0	0	0	0	110.4	C40 C42	C36-C40 PolarHBondContact SG-O 3.48Å; C36-C42 HydrophobicContact CB-CB 3.62Å; C36-C42 WeakPolarHBondContact CB-SG 3.35Å; C36-C42 WeakPolarHBondContact SG-CB 3.31Å; C36-C42 PolarHBondContact SG-N 3.49Å; C36-C42 CovalentContact SG-SG 2.03Å; C36-C42 PolarHBondContact SG-SG 2.95Å
37	P	80.3	Confident	67.4	Low	21 Å²	21	114 Å²	114	14%	0.136	56%	0.561	C	S	.	*	P	Polyproline II helix	trans	-59.7	144.7	175.2	-23.5	33.7	0	0	0	112.3	S39 C40 P56 F59	P37-S39 PolarHBondContact O-N 3.16Å; P37-C40 HydrophobicContact CB-CB 4.31Å; P37-C40 PolarHBondContact O-N 3.04Å; P37-P56 HydrophobicContact CB-CB 3.62Å; P37-P56 HydrophobicContact CB-CG 3.52Å; P37-P56 HydrophobicContact CG-CB 3.44Å; P37-P56 VanDerWaalsContact CG-CB 3.44Å; P37-P56 HydrophobicContact CG-CG 3.77Å; P37-F59 HydrophobicContact CG-CD1 3.89Å; P37-F59 HydrophobicContact CG-CE1 3.75Å; P37-F59 HydrophobicContact CG-CZ 4.27Å
38	M	75.5	Confident	69.7	Low	194 Å²	194	109 Å²	109	96%	0.956	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-26.5	-179	-70.6	-63.1	-60.4	0	0	114	C40	M38-C40 VanDerWaalsContact C-N 3.26Å
39	S	76.4	Confident	71.7	Confident	46 Å²	46	104.1 Å²	104.1	32%	0.322	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	9	177.6	57.9	0	0	0	0	113.3	P37 C49	P37-S39 PolarHBondContact O-N 3.16Å; S39-C49 WeakPolarHBondContact O-CA 3.45Å
40	C	80.9	Confident	73.4	Confident	14 Å²	14	100 Å²	100	10%	0.095	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	151.9	-176.9	-50.6	0	0	0	0	111.5	C36 P37 M38 L48 C49 F59	C36-C40 PolarHBondContact SG-O 3.48Å; P37-C40 HydrophobicContact CB-CB 4.31Å; P37-C40 PolarHBondContact O-N 3.04Å; M38-C40 VanDerWaalsContact C-N 3.26Å; C40-L48 CarbonylContact C-O 3.55Å; C40-L48 WeakPolarHBondContact CA-O 3.35Å; C40-C49 HydrophobicContact CB-CB 4.04Å; C40-C49 WeakPolarHBondContact CB-SG 3.3Å; C40-C49 WeakPolarHBondContact SG-CB 3.43Å; C40-C49 CovalentContact SG-SG 2.04Å; C40-C49 PolarHBondContact SG-SG 3.28Å; C40-F59 HydrophobicContact CB-CE1 4.32Å
41	T	84.2	Confident	74.5	Confident	104 Å²	104	93.2 Å²	93.2	64%	0.638	48%	0.476	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.2	116.5	170	-56.5	0	0	0	0	108	A47 L48	T41-A47 WeakPolarHBondContact O-CA 3.34Å; T41-L48 PolarHBondContact N-O 2.83Å; T41-L48 PolarHBondContact O-N 3.12Å
42	C	84.8	Confident	75.5	Confident	35 Å²	35	89 Å²	89	24%	0.236	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	138.7	179.9	-51.3	0	0	0	0	111.1	C36 N46	C36-C42 HydrophobicContact CB-CB 3.62Å; C36-C42 WeakPolarHBondContact CB-SG 3.35Å; C36-C42 WeakPolarHBondContact SG-CB 3.31Å; C36-C42 PolarHBondContact SG-N 3.49Å; C36-C42 CovalentContact SG-SG 2.03Å; C36-C42 PolarHBondContact SG-SG 2.95Å; C42-N46 CarbonylContact C-O 3.55Å; C42-N46 WeakPolarHBondContact CA-O 3.47Å
43	T	84.6	Confident	75.9	Confident	81 Å²	81	82.6 Å²	82.6	50%	0.497	43%	0.429	S	S	.	.			trans	-104.4	-167.3	165	61.3	0	0	0	0	108.7	D45 N46	T43-D45 VanDerWaalsContact C-N 3.28Å; T43-D45 PolarHBondContact O-N 3.3Å; T43-N46 PolarHBondContact N-O 3.18Å; T43-N46 WeakPolarHBondContact OG1-CA 3.47Å; T43-N46 VanDerWaalsContact OG1-CB 3.31Å; T43-N46 WeakPolarHBondContact OG1-CB 3.16Å; T43-N46 PolarHBondContact OG1-N 3.12Å; T43-N46 PolarHBondContact OG1-O 3.49Å
44	K	79.1	Confident	76.1	Confident	179 Å²	179	77.7 Å²	77.7	78%	0.778	42%	0.415	S	S	*	.	S	Bend	trans	-60.9	-38.1	179.7	-170.5	179.2	178.8	-175.7	0	112.2	D62	K44-D62 CarbonylContact O-C 3.55Å; K44-D62 WeakPolarHBondContact O-CB 3.49Å
45	D	81.9	Confident	75.9	Confident	76 Å²	76	74.1 Å²	74.1	41%	0.406	40%	0.399	S	S	.	.	S	Bend	trans	-129.4	-15.5	-170.6	58.3	-24.3	0	0	0	113.9	T43 V63 T64 S65	T43-D45 VanDerWaalsContact C-N 3.28Å; T43-D45 PolarHBondContact O-N 3.3Å; D45-V63 CarbonylContact O-C 3.55Å; D45-V63 WeakPolarHBondContact O-CA 3.5Å; D45-T64 PolarHBondContact O-N 3.05Å; D45-T64 PolarHBondContact O-OG1 3.06Å; D45-S65 PolarHBondContact O-N 3.42Å
46	N	81.6	Confident	75.5	Confident	58 Å²	58	64.3 Å²	64.3	31%	0.31	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	145.4	-177.9	-51	-49.7	0	0	0	112.2	C42 T43 S65	C42-N46 CarbonylContact C-O 3.55Å; C42-N46 WeakPolarHBondContact CA-O 3.47Å; T43-N46 PolarHBondContact N-O 3.18Å; T43-N46 WeakPolarHBondContact OG1-CA 3.47Å; T43-N46 VanDerWaalsContact OG1-CB 3.31Å; T43-N46 WeakPolarHBondContact OG1-CB 3.16Å; T43-N46 PolarHBondContact OG1-N 3.12Å; T43-N46 PolarHBondContact OG1-O 3.49Å; N46-S65 CarbonylContact C-O 3.56Å; N46-S65 VanDerWaalsContact CA-O 3.31Å; N46-S65 WeakPolarHBondContact CA-O 3.47Å; N46-S65 WeakPolarHBondContact OD1-CB 3.41Å
47	A	84.2	Confident	74.7	Confident	1 Å²	1	69.7 Å²	69.7	1%	0.008	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	131	167.2	0	0	0	0	0	110.4	T41 F59 V63 S65 L66 M67	T41-A47 WeakPolarHBondContact O-CA 3.34Å; A47-F59 HydrophobicContact CB-CD1 3.79Å; A47-F59 HydrophobicContact CB-CE1 3.81Å; A47-V63 HydrophobicContact CB-CG1 3.82Å; A47-S65 PolarHBondContact N-O 2.83Å; A47-L66 HydrophobicContact CB-CD1 3.87Å; A47-M67 PolarHBondContact O-N 2.93Å
48	L	84	Confident	74.2	Confident	61 Å²	61	71.3 Å²	71.3	32%	0.319	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	118.4	175.4	174	63.9	0	0	0	109.4	C40 T41 E50 M67	C40-L48 CarbonylContact C-O 3.55Å; C40-L48 WeakPolarHBondContact CA-O 3.35Å; T41-L48 PolarHBondContact N-O 2.83Å; T41-L48 PolarHBondContact O-N 3.12Å; L48-E50 HydrophobicContact CD1-CG 4.24Å; L48-E50 HydrophobicContact CD2-CG 4.43Å; L48-E50 HydrophobicContact CG-CG 4.17Å; L48-M67 CarbonylContact C-O 3.54Å; L48-M67 WeakPolarHBondContact CA-O 3.21Å; L48-M67 HydrophobicContact CD1-CB 3.79Å
49	C	80.2	Confident	74.2	Confident	2 Å²	2	62.4 Å²	62.4	1%	0.014	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	117.1	176.1	-51.6	0	0	0	0	109.4	S39 C40 A52 M67 V68 S69	S39-C49 WeakPolarHBondContact O-CA 3.45Å; C40-C49 HydrophobicContact CB-CB 4.04Å; C40-C49 WeakPolarHBondContact CB-SG 3.3Å; C40-C49 WeakPolarHBondContact SG-CB 3.43Å; C40-C49 CovalentContact SG-SG 2.04Å; C40-C49 PolarHBondContact SG-SG 3.28Å; C49-A52 HydrophobicContact CB-CB 4.47Å; C49-M67 PolarHBondContact N-O 2.03Å; C49-V68 HydrophobicContact CB-CG2 4.46Å; C49-V68 WeakPolarHBondContact O-CA 3.38Å; C49-S69 PolarHBondContact O-N 2.87Å
50	E	72.9	Confident	74.3	Confident	114 Å²	114	61.3 Å²	61.3	53%	0.533	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	133.5	176	-69	-174.7	166.6	0	0	109.3	L48 A52 S69	L48-E50 HydrophobicContact CD1-CG 4.24Å; L48-E50 HydrophobicContact CD2-CG 4.43Å; L48-E50 HydrophobicContact CG-CG 4.17Å; E50-A52 VanDerWaalsContact C-N 3.25Å; E50-A52 PolarHBondContact O-N 3.42Å; E50-S69 WeakPolarHBondContact CA-O 3.46Å
51	S	66.3	Low	73.9	Confident	88 Å²	88	64.9 Å²	64.9	62%	0.615	36%	0.36	S	S	*	.	S	Bend	trans	59.8	29.5	175.9	-53.8	0	0	0	0	114.9	S69 Y70	S51-S69 PolarHBondContact N-O 2.75Å; S51-Y70 VanDerWaalsContact CA-O 3.3Å; S51-Y70 WeakPolarHBondContact CA-O 3.46Å; S51-Y70 PolarHBondContact N-O 3.37Å
52	A	62	Low	73.6	Confident	4 Å²	4	65.1 Å²	65.1	3%	0.033	36%	0.358	C	S	.	.			trans	-72.8	131.8	177.9	0	0	0	0	0	111.3	C49 E50 F71	C49-A52 HydrophobicContact CB-CB 4.47Å; E50-A52 VanDerWaalsContact C-N 3.25Å; E50-A52 PolarHBondContact O-N 3.42Å; A52-F71 HydrophobicContact CB-CD2 4.29Å; A52-F71 HydrophobicContact CB-CE2 4.16Å; A52-F71 WeakPolarHBondContact O-CD2 3.41Å; A52-F71 VanDerWaalsContact O-CE2 3.26Å; A52-F71 WeakPolarHBondContact O-CE2 3.03Å
53	V	58.1	Low	73.4	Confident	107 Å²	107	63.8 Å²	63.8	65%	0.648	35%	0.348	S	S	*	.	S	Bend	trans	-74	-30.4	175.8	-177.6	0	0	0	0	111.7
54	S	59.2	Low	73	Confident	79 Å²	79	62.6 Å²	62.6	55%	0.552	34%	0.341	S	S	*	.	S	Bend	trans	-142.8	148.9	174.2	63	0	0	0	0	110	P56	S54-P56 VanDerWaalsContact O-CD 3.32Å; S54-P56 WeakPolarHBondContact O-CD 3.04Å
55	I	63.2	Low	73	Confident	23 Å²	23	54.7 Å²	54.7	12%	0.118	31%	0.308	C	S	.	.			trans	-71.1	122.3	176.5	-52.4	177.8	0	0	0	108.2	R57 F71 V84 F94	I55-R57 PolarHBondContact O-N 2.9Å; I55-F71 HydrophobicContact CB-CE2 4.48Å; I55-F71 HydrophobicContact CG1-CD2 4.37Å; I55-F71 HydrophobicContact CG1-CE2 3.54Å; I55-F71 HydrophobicContact CG1-CZ 3.61Å; I55-V84 HydrophobicContact CB-CG2 4.49Å; I55-V84 HydrophobicContact CD1-CG2 4.42Å; I55-V84 HydrophobicContact CG2-CG2 3.56Å; I55-F94 HydrophobicContact CD1-CE1 4.04Å; I55-F94 HydrophobicContact CD1-CZ 4.09Å
56	P	66.4	Low	72.9	Confident	18 Å²	18	51.1 Å²	51.1	12%	0.117	29%	0.289	C	S	.	.			trans	-59.6	138	178.4	-24.5	35.1	0	0	0	111.6	P37 S54 S58 F59	P37-P56 HydrophobicContact CB-CB 3.62Å; P37-P56 HydrophobicContact CB-CG 3.52Å; P37-P56 HydrophobicContact CG-CB 3.44Å; P37-P56 VanDerWaalsContact CG-CB 3.44Å; P37-P56 HydrophobicContact CG-CG 3.77Å; S54-P56 VanDerWaalsContact O-CD 3.32Å; S54-P56 WeakPolarHBondContact O-CD 3.04Å; P56-S58 VanDerWaalsContact C-N 3.28Å; P56-S58 PolarHBondContact O-N 3.05Å; P56-F59 HydrophobicContact CB-CE2 4.14Å; P56-F59 HydrophobicContact CB-CZ 3.96Å; P56-F59 HydrophobicContact CG-CZ 4.08Å; P56-F59 WeakPolarHBondContact O-CE2 3.31Å
57	R	64.1	Low	72.5	Confident	158 Å²	158	51.6 Å²	51.6	60%	0.596	29%	0.291	S	S	*	.	S	Bend	trans	-76.4	-15.3	-176	-67.4	-176.2	-177.6	169.7	3.5	113.6	I55 L85	I55-R57 PolarHBondContact O-N 2.9Å; R57-L85 HydrophobicContact CB-CD1 4.34Å; R57-L85 WeakPolarHBondContact O-CB 3.2Å
58	S	68.1	Low	72	Confident	55 Å²	55	51.7 Å²	51.7	39%	0.385	29%	0.291	S	S	.	.			trans	-151.4	127	-165.1	77.2	0	0	0	0	110.7	Q34 P56	Q34-S58 PolarHBondContact OE1-OG 2.85Å; P56-S58 VanDerWaalsContact C-N 3.28Å; P56-S58 PolarHBondContact O-N 3.05Å
59	F	76.1	Confident	71.2	Confident	7 Å²	7	49.5 Å²	49.5	3%	0.031	28%	0.281	C	S	.	.			trans	-122.9	161.2	179.8	-68.9	-93.5	0	0	0	109.6	Q34 P37 C40 A47 P56 V63 L66 V84 T86	Q34-F59 PolarHBondContact OE1-O 2.8Å; Q34-F59 VanDerWaalsContact OE1-O 3.13Å; P37-F59 HydrophobicContact CG-CD1 3.89Å; P37-F59 HydrophobicContact CG-CE1 3.75Å; P37-F59 HydrophobicContact CG-CZ 4.27Å; C40-F59 HydrophobicContact CB-CE1 4.32Å; A47-F59 HydrophobicContact CB-CD1 3.79Å; A47-F59 HydrophobicContact CB-CE1 3.81Å; P56-F59 HydrophobicContact CB-CE2 4.14Å; P56-F59 HydrophobicContact CB-CZ 3.96Å; P56-F59 HydrophobicContact CG-CZ 4.08Å; P56-F59 WeakPolarHBondContact O-CE2 3.31Å; F59-V63 HydrophobicContact CB-CB 4.43Å; F59-L66 HydrophobicContact CE1-CD1 3.76Å; F59-L66 HydrophobicContact CE2-CD1 4.26Å; F59-L66 HydrophobicContact CE2-CD2 4.06Å; F59-L66 HydrophobicContact CZ-CD1 3.58Å; F59-L66 HydrophobicContact CZ-CD2 4.12Å; F59-V84 HydrophobicContact CE2-CG1 4.26Å; F59-T86 HydrophobicContact CB-CG2 3.92Å; F59-T86 HydrophobicContact CD2-CG2 3.75Å; F59-T86 HydrophobicContact CG-CG2 4.31Å
60	P	78.8	Confident	70.1	Confident	24 Å²	24	56.5 Å²	56.5	16%	0.156	31%	0.308	C	S	.	.			trans	-50.8	140.9	170.4	-22.5	31.1	0	0	0	111.2	D62 V63	P60-D62 PolarHBondContact O-N 3.02Å; P60-D62 VanDerWaalsContact O-N 3.12Å; P60-V63 HydrophobicContact CB-CG2 4.15Å; P60-V63 HydrophobicContact CG-CG2 4.29Å; P60-V63 WeakPolarHBondContact O-CB 3.41Å; P60-V63 PolarHBondContact O-N 3.44Å; P60-V63 VanDerWaalsContact O-N 3.1Å
61	P	72.1	Confident	69.3	Low	88 Å²	88	51.8 Å²	51.8	57%	0.571	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-20.6	-172.2	25.6	-34.6	0	0	0	114.1	V63	P61-V63 VanDerWaalsContact C-N 3.32Å
62	D	78.1	Confident	68.2	Low	110 Å²	110	52.9 Å²	52.9	59%	0.588	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-12.4	179.9	-55.9	-42.8	0	0	0	113	K44 P60 T64	K44-D62 CarbonylContact O-C 3.55Å; K44-D62 WeakPolarHBondContact O-CB 3.49Å; P60-D62 PolarHBondContact O-N 3.02Å; P60-D62 VanDerWaalsContact O-N 3.12Å; D62-T64 PolarHBondContact O-N 3.1Å
63	V	80	Confident	67.4	Low	6 Å²	6	56.1 Å²	56.1	4%	0.036	31%	0.309	C	S	.	.			trans	-72.9	117.1	179.2	177.3	0	0	0	0	110.1	D45 A47 F59 P60 P61 S65	D45-V63 CarbonylContact O-C 3.55Å; D45-V63 WeakPolarHBondContact O-CA 3.5Å; A47-V63 HydrophobicContact CB-CG1 3.82Å; F59-V63 HydrophobicContact CB-CB 4.43Å; P60-V63 HydrophobicContact CB-CG2 4.15Å; P60-V63 HydrophobicContact CG-CG2 4.29Å; P60-V63 WeakPolarHBondContact O-CB 3.41Å; P60-V63 PolarHBondContact O-N 3.44Å; P60-V63 VanDerWaalsContact O-N 3.1Å; P61-V63 VanDerWaalsContact C-N 3.32Å; V63-S65 WeakPolarHBondContact CG1-O 3.38Å
64	T	77.4	Confident	66.6	Low	56 Å²	56	57.4 Å²	57.4	34%	0.344	31%	0.311	S	S	.	.			trans	-111.9	-18	179.7	58.3	0	0	0	0	112.8	D45 D62 Y90 S91	D45-T64 PolarHBondContact O-N 3.05Å; D45-T64 PolarHBondContact O-OG1 3.06Å; D62-T64 PolarHBondContact O-N 3.1Å; T64-Y90 PolarHBondContact O-N 3.2Å; T64-S91 PolarHBondContact O-N 2.7Å
65	S	79.3	Confident	65.5	Low	13 Å²	13	61.1 Å²	61.1	9%	0.091	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	128.3	175.8	-161.7	0	0	0	0	111.4	D45 N46 A47 V63 S91	D45-S65 PolarHBondContact O-N 3.42Å; N46-S65 CarbonylContact C-O 3.56Å; N46-S65 VanDerWaalsContact CA-O 3.31Å; N46-S65 WeakPolarHBondContact CA-O 3.47Å; N46-S65 WeakPolarHBondContact OD1-CB 3.41Å; A47-S65 PolarHBondContact N-O 2.83Å; V63-S65 WeakPolarHBondContact CG1-O 3.38Å; S65-S91 WeakPolarHBondContact CA-O 3.43Å; S65-S91 WeakPolarHBondContact OG-CB 3.31Å; S65-S91 PolarHBondContact OG-OG 3.11Å
66	L	79.1	Confident	64.5	Low	1 Å²	1	62 Å²	62	1%	0.005	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	126.6	176.2	178.8	63.4	0	0	0	110.1	A47 F59 V68 V84 L89 S91 L92 I93	A47-L66 HydrophobicContact CB-CD1 3.87Å; F59-L66 HydrophobicContact CE1-CD1 3.76Å; F59-L66 HydrophobicContact CE2-CD1 4.26Å; F59-L66 HydrophobicContact CE2-CD2 4.06Å; F59-L66 HydrophobicContact CZ-CD1 3.58Å; F59-L66 HydrophobicContact CZ-CD2 4.12Å; L66-V68 HydrophobicContact CD1-CG2 4.33Å; L66-V68 HydrophobicContact CD2-CG2 4.31Å; L66-V68 HydrophobicContact CG-CG2 4.03Å; L66-V84 HydrophobicContact CD2-CG1 4.03Å; L66-L89 HydrophobicContact CB-CD1 4.3Å; L66-L89 HydrophobicContact CB-CD2 3.86Å; L66-L89 HydrophobicContact CD2-CD1 4.31Å; L66-S91 PolarHBondContact N-O 3.23Å; L66-L92 HydrophobicContact CB-CD1 3.85Å; L66-L92 HydrophobicContact CD2-CD1 3.8Å; L66-L92 HydrophobicContact CG-CD1 3.92Å; L66-L92 WeakPolarHBondContact O-CA 3.17Å; L66-I93 PolarHBondContact O-N 3.46Å
67	M	73.3	Confident	63.2	Low	69 Å²	69	62.1 Å²	62.1	34%	0.34	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	129	173	-57	-168.1	-170.6	0	0	109.7	A47 L48 C49 I93	A47-M67 PolarHBondContact O-N 2.93Å; L48-M67 CarbonylContact C-O 3.54Å; L48-M67 WeakPolarHBondContact CA-O 3.21Å; L48-M67 HydrophobicContact CD1-CB 3.79Å; C49-M67 PolarHBondContact N-O 2.03Å; M67-I93 CarbonylContact C-O 3.45Å; M67-I93 WeakPolarHBondContact CA-O 3.43Å; M67-I93 HydrophobicContact CB-CB 4.46Å; M67-I93 HydrophobicContact CE-CD1 3.87Å; M67-I93 HydrophobicContact CG-CB 4.1Å; M67-I93 HydrophobicContact CG-CD1 4.12Å; M67-I93 HydrophobicContact CG-CG1 4.32Å; M67-I93 HydrophobicContact SD-CD1 4.2Å
68	V	73.7	Confident	61.9	Low	3 Å²	3	63.2 Å²	63.2	2%	0.018	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	122.2	178.9	-175.8	0	0	0	0	108.9	C49 L66 F71 I93 F94 K95	C49-V68 HydrophobicContact CB-CG2 4.46Å; C49-V68 WeakPolarHBondContact O-CA 3.38Å; L66-V68 HydrophobicContact CD1-CG2 4.33Å; L66-V68 HydrophobicContact CD2-CG2 4.31Å; L66-V68 HydrophobicContact CG-CG2 4.03Å; V68-F71 HydrophobicContact CG1-CB 4.48Å; V68-F71 HydrophobicContact CG1-CD2 4.01Å; V68-I93 PolarHBondContact N-O 3Å; V68-F94 HydrophobicContact CB-CD1 3.64Å; V68-F94 HydrophobicContact CB-CE1 3.82Å; V68-F94 HydrophobicContact CG1-CD1 4.07Å; V68-F94 HydrophobicContact CG1-CE1 4.08Å; V68-F94 HydrophobicContact CG2-CD1 4.2Å; V68-F94 HydrophobicContact CG2-CE1 3.92Å; V68-F94 WeakPolarHBondContact O-CA 3.24Å; V68-K95 PolarHBondContact O-N 2.96Å
69	S	66.4	Low	60.5	Low	15 Å²	15	63.1 Å²	63.1	11%	0.105	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	141.7	-179.2	-58.1	0	0	0	0	110.3	C49 E50 S51	C49-S69 PolarHBondContact O-N 2.87Å; E50-S69 WeakPolarHBondContact CA-O 3.46Å; S51-S69 PolarHBondContact N-O 2.75Å
70	Y	56.8	Low	59	Low	149 Å²	149	72.4 Å²	72.4	58%	0.584	38%	0.375	S	S	*	.			trans	57.5	64	175.9	-57.3	-82	0	0	0	113.2	S51 K95	S51-Y70 VanDerWaalsContact CA-O 3.3Å; S51-Y70 WeakPolarHBondContact CA-O 3.46Å; S51-Y70 PolarHBondContact N-O 3.37Å; Y70-K95 PolarHBondContact N-O 3.18Å
71	F	56.6	Low	57.2	Low	14 Å²	14	78.2 Å²	78.2	6%	0.061	40%	0.398	C	S	.	.			trans	-92.1	122.5	178.9	-159.1	-96.7	0	0	0	110.4	A52 I55 V68 L97	A52-F71 HydrophobicContact CB-CD2 4.29Å; A52-F71 HydrophobicContact CB-CE2 4.16Å; A52-F71 WeakPolarHBondContact O-CD2 3.41Å; A52-F71 VanDerWaalsContact O-CE2 3.26Å; A52-F71 WeakPolarHBondContact O-CE2 3.03Å; I55-F71 HydrophobicContact CB-CE2 4.48Å; I55-F71 HydrophobicContact CG1-CD2 4.37Å; I55-F71 HydrophobicContact CG1-CE2 3.54Å; I55-F71 HydrophobicContact CG1-CZ 3.61Å; V68-F71 HydrophobicContact CG1-CB 4.48Å; V68-F71 HydrophobicContact CG1-CD2 4.01Å; F71-L97 HydrophobicContact CB-CD1 4.47Å; F71-L97 HydrophobicContact CB-CD2 4.21Å; F71-L97 HydrophobicContact CB-CG 4.04Å; F71-L97 HydrophobicContact CD1-CD2 4.22Å
72	C	42.8	Very low	56.1	Low	111 Å²	111	75 Å²	75	75%	0.75	38%	0.377	S	S	*	.			trans	-117.8	73.8	-175.1	-153.6	0	0	0	0	109.3
73	D	47.1	Very low	54.7	Low	73 Å²	73	72.6 Å²	72.6	39%	0.39	36%	0.363	S	S	.	.			trans	-155.3	129.2	153.1	-143.5	-20.2	0	0	0	113.8	F75	D73-F75 PolarHBondContact O-N 2.85Å
74	L	39.3	Very low	53.4	Low	133 Å²	133	72.7 Å²	72.7	70%	0.696	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-68.5	-11	176.4	-139.8	80.7	0	0	0	111.8
75	F	36.5	Very low	52.1	Low	158 Å²	158	74.1 Å²	74.1	69%	0.693	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-90.1	-12.3	-166.5	-131.3	-93.1	0	0	0	115.9	D73 V77	D73-F75 PolarHBondContact O-N 2.85Å; F75-V77 PolarHBondContact O-N 3.3Å
76	C	43.2	Very low	51	Low	41 Å²	41	74.3 Å²	74.3	28%	0.277	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-75.3	-11	175	-96.2	0	0	0	0	113.9	H78 C82	C76-H78 VanDerWaalsContact C-N 3.3Å; C76-H78 PolarHBondContact O-N 3.18Å; C76-C82 HydrophobicContact CB-CB 3.8Å; C76-C82 WeakPolarHBondContact CB-SG 3.32Å; C76-C82 WeakPolarHBondContact SG-CB 2.98Å; C76-C82 CovalentContact SG-SG 2.02Å; C76-C82 PolarHBondContact SG-SG 3.5Å
77	V	39.1	Very low	50	Low	21 Å²	21	82 Å²	82	13%	0.127	40%	0.398	C	S	.	.	G	3₁₀ helix	trans	-80.2	-3.4	-173.8	-172.1	0	0	0	0	112.9	F75 Q99 L101	F75-V77 PolarHBondContact O-N 3.3Å; V77-Q99 HydrophobicContact CG1-CG 4.19Å; V77-Q99 HydrophobicContact CG2-CB 3.84Å; V77-Q99 HydrophobicContact CG2-CG 4.38Å; V77-L101 HydrophobicContact CG1-CD1 4.28Å; V77-L101 HydrophobicContact CG1-CG 4.18Å; V77-L101 WeakPolarHBondContact O-CD1 3.43Å
78	H	36.3	Very low	49.7	Very low	180 Å²	180	84.4 Å²	84.4	83%	0.833	41%	0.408	S	S	*	.	S	Bend	trans	-130.5	-12.1	-177.8	-99.6	50.8	0	0	0	115.3	C76	C76-H78 VanDerWaalsContact C-N 3.3Å; C76-H78 PolarHBondContact O-N 3.18Å
79	T	37.9	Very low	49.3	Very low	53 Å²	53	84.4 Å²	84.4	33%	0.325	41%	0.408	S	S	.	.	S	Bend	trans	-125.5	134.5	-177.7	58.5	0	0	0	0	109	K81	T79-K81 PolarHBondContact O-N 3.35Å
80	K	45.3	Very low	49.4	Very low	203 Å²	203	89.2 Å²	89.2	88%	0.883	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	22.9	172.3	-62.4	-177	175.9	-174.1	0	113.9
81	K	41	Very low	50	Low	145 Å²	145	82.8 Å²	82.8	63%	0.63	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-13.8	-175	-77.2	-179.5	176.4	174.2	0	113.9	T79 M83	T79-K81 PolarHBondContact O-N 3.35Å; K81-M83 PolarHBondContact O-N 3.24Å; K81-M83 VanDerWaalsContact O-N 3.17Å
82	C	48.8	Very low	50.8	Low	21 Å²	21	82.2 Å²	82.2	14%	0.142	40%	0.399	C	S	.	.			trans	-81.7	26.3	177	-121.4	0	0	0	0	113.6	C76 V84	C76-C82 HydrophobicContact CB-CB 3.8Å; C76-C82 WeakPolarHBondContact CB-SG 3.32Å; C76-C82 WeakPolarHBondContact SG-CB 2.98Å; C76-C82 CovalentContact SG-SG 2.02Å; C76-C82 PolarHBondContact SG-SG 3.5Å; C82-V84 PolarHBondContact O-N 3.2Å
83	M	49.5	Very low	52.2	Low	60 Å²	60	78.2 Å²	78.2	30%	0.296	37%	0.37	S	S	.	.			trans	-79.1	106	-170.2	-145.7	173	91.8	0	0	110.5	K81 L85 N108	K81-M83 PolarHBondContact O-N 3.24Å; K81-M83 VanDerWaalsContact O-N 3.17Å; M83-L85 HydrophobicContact CE-CD1 4.43Å; M83-L85 HydrophobicContact CE-CD2 3.4Å; M83-L85 VanDerWaalsContact CE-CD2 3.4Å; M83-L85 HydrophobicContact CE-CG 3.76Å; M83-L85 PolarHBondContact O-N 3.37Å; M83-L85 VanDerWaalsContact O-N 3.09Å; M83-N108 WeakPolarHBondContact CE-ND2 3.02Å; M83-N108 WeakPolarHBondContact CE-OD1 3.21Å; M83-N108 WeakPolarHBondContact CG-ND2 3.47Å; M83-N108 PolarHBondContact SD-ND2 3.34Å
84	V	53.2	Low	53.3	Low	8 Å²	8	75.1 Å²	75.1	5%	0.048	35%	0.353	C	S	.	.			trans	-73	98.5	170.2	-165.3	0	0	0	0	107.9	I55 F59 L66 C82 T86 L89 N109	I55-V84 HydrophobicContact CB-CG2 4.49Å; I55-V84 HydrophobicContact CD1-CG2 4.42Å; I55-V84 HydrophobicContact CG2-CG2 3.56Å; F59-V84 HydrophobicContact CE2-CG1 4.26Å; L66-V84 HydrophobicContact CD2-CG1 4.03Å; C82-V84 PolarHBondContact O-N 3.2Å; V84-T86 VanDerWaalsContact CG1-OG1 3.29Å; V84-T86 WeakPolarHBondContact CG1-OG1 3.44Å; V84-T86 PolarHBondContact O-N 3.37Å; V84-L89 HydrophobicContact CG1-CD1 4.05Å; V84-N109 PolarHBondContact O-ND2 3.39Å
85	L	49.3	Very low	54.4	Low	86 Å²	86	73.9 Å²	73.9	45%	0.45	34%	0.342	S	S	.	.			trans	-74.2	11.5	-173.8	-84.4	146.4	0	0	0	114.5	R57 M83 R87	R57-L85 HydrophobicContact CB-CD1 4.34Å; R57-L85 WeakPolarHBondContact O-CB 3.2Å; M83-L85 HydrophobicContact CE-CD1 4.43Å; M83-L85 HydrophobicContact CE-CD2 3.4Å; M83-L85 VanDerWaalsContact CE-CD2 3.4Å; M83-L85 HydrophobicContact CE-CG 3.76Å; M83-L85 PolarHBondContact O-N 3.37Å; M83-L85 VanDerWaalsContact O-N 3.09Å; L85-R87 PolarHBondContact O-N 3.13Å; L85-R87 VanDerWaalsContact O-N 3.13Å
86	T	56.9	Low	55.4	Low	17 Å²	17	70.5 Å²	70.5	10%	0.104	33%	0.332	C	S	.	.			trans	-83.1	92.4	-178.9	49.3	0	0	0	0	110.9	F59 V84 H88 L89 N109	F59-T86 HydrophobicContact CB-CG2 3.92Å; F59-T86 HydrophobicContact CD2-CG2 3.75Å; F59-T86 HydrophobicContact CG-CG2 4.31Å; V84-T86 VanDerWaalsContact CG1-OG1 3.29Å; V84-T86 WeakPolarHBondContact CG1-OG1 3.44Å; V84-T86 PolarHBondContact O-N 3.37Å; T86-H88 PolarHBondContact O-N 2.92Å; T86-L89 PolarHBondContact O-N 3.42Å; T86-L89 WeakPolarHBondContact OG1-CD1 3.38Å; T86-L89 VanDerWaalsContact OG1-CG 3.23Å; T86-L89 WeakPolarHBondContact OG1-CG 3.31Å; T86-N109 PolarHBondContact O-ND2 2.96Å
87	R	58	Low	55.9	Low	161 Å²	161	70 Å²	70	61%	0.608	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-5.3	178.3	-66.5	-177.3	174.1	-176.2	-2.6	115.1	L85 N111	L85-R87 PolarHBondContact O-N 3.13Å; L85-R87 VanDerWaalsContact O-N 3.13Å; R87-N111 PolarHBondContact O-ND2 2.96Å; R87-N111 VanDerWaalsContact O-ND2 3.08Å
88	H	65.7	Low	56.2	Low	120 Å²	120	72 Å²	72	56%	0.556	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.9	2.4	-173.3	-56.4	-65.8	0	0	0	114.6	T86 Y90	T86-H88 PolarHBondContact O-N 2.92Å; H88-Y90 PolarHBondContact O-N 3.36Å
89	L	66.8	Low	56.7	Low	3 Å²	3	68 Å²	68	2%	0.016	32%	0.322	C	S	.	.			trans	-65.8	129.4	178.8	-74.1	173.6	0	0	0	111.6	L66 V84 T86 N111 L112	L66-L89 HydrophobicContact CB-CD1 4.3Å; L66-L89 HydrophobicContact CB-CD2 3.86Å; L66-L89 HydrophobicContact CD2-CD1 4.31Å; V84-L89 HydrophobicContact CG1-CD1 4.05Å; T86-L89 PolarHBondContact O-N 3.42Å; T86-L89 WeakPolarHBondContact OG1-CD1 3.38Å; T86-L89 VanDerWaalsContact OG1-CG 3.23Å; T86-L89 WeakPolarHBondContact OG1-CG 3.31Å; L89-N111 CarbonylContact O-C 3.58Å; L89-L112 HydrophobicContact CB-CD1 4.21Å; L89-L112 WeakPolarHBondContact O-CA 3.39Å; L89-L112 PolarHBondContact O-N 2.79Å
90	Y	68.3	Low	57.1	Low	117 Å²	117	68.6 Å²	68.6	46%	0.459	32%	0.321	S	S	.	.	S	Bend	trans	-95.4	-37.4	171.9	179.3	-93.6	0	0	0	111.4	T64 H88 R113 V114	T64-Y90 PolarHBondContact O-N 3.2Å; H88-Y90 PolarHBondContact O-N 3.36Å; Y90-R113 HydrophobicContact CD2-CB 3.98Å; Y90-R113 HydrophobicContact CD2-CG 3.79Å; Y90-R113 HydrophobicContact CE1-CB 4.41Å; Y90-R113 HydrophobicContact CE2-CB 3.61Å; Y90-R113 HydrophobicContact CE2-CG 3.46Å; Y90-R113 VanDerWaalsContact CE2-CG 3.46Å; Y90-R113 PolarHBondContact O-N 3.43Å; Y90-V114 HydrophobicContact CD1-CG2 4.49Å; Y90-V114 HydrophobicContact CE1-CG2 3.88Å; Y90-V114 PolarHBondContact O-N 3.39Å
91	S	68.6	Low	57	Low	13 Å²	13	63 Å²	63	9%	0.091	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	137.7	-176.6	173.6	0	0	0	0	112.4	T64 S65 L66 V114	T64-S91 PolarHBondContact O-N 2.7Å; S65-S91 WeakPolarHBondContact CA-O 3.43Å; S65-S91 WeakPolarHBondContact OG-CB 3.31Å; S65-S91 PolarHBondContact OG-OG 3.11Å; L66-S91 PolarHBondContact N-O 3.23Å; S91-V114 WeakPolarHBondContact CA-O 3.44Å
92	L	73.9	Confident	57.1	Low	2 Å²	2	58.3 Å²	58.3	1%	0.01	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	125.3	175.3	-175.1	61	0	0	0	110.6	L66 F94 F105 L112 V114 L115 F116	L66-L92 HydrophobicContact CB-CD1 3.85Å; L66-L92 HydrophobicContact CD2-CD1 3.8Å; L66-L92 HydrophobicContact CG-CD1 3.92Å; L66-L92 WeakPolarHBondContact O-CA 3.17Å; L92-F94 HydrophobicContact CD1-CD2 4.48Å; L92-F94 HydrophobicContact CD1-CE2 4.01Å; L92-F94 HydrophobicContact CD1-CZ 4.27Å; L92-F94 HydrophobicContact CD2-CD2 4.19Å; L92-F94 HydrophobicContact CD2-CE2 3.48Å; L92-F94 VanDerWaalsContact CD2-CE2 3.48Å; L92-F94 HydrophobicContact CD2-CZ 4.23Å; L92-F94 HydrophobicContact CG-CD2 4Å; L92-F94 HydrophobicContact CG-CE2 3.68Å; L92-F94 HydrophobicContact CG-CZ 4.43Å; L92-F105 HydrophobicContact CD2-CD1 4.14Å; L92-F105 HydrophobicContact CD2-CE1 3.42Å; L92-F105 VanDerWaalsContact CD2-CE1 3.42Å; L92-F105 HydrophobicContact CD2-CZ 4.18Å; L92-L112 HydrophobicContact CB-CD1 3.89Å; L92-L112 HydrophobicContact CB-CD2 4.41Å; L92-V114 PolarHBondContact N-O 2.82Å; L92-L115 HydrophobicContact CB-CD1 4.15Å; L92-L115 HydrophobicContact CD2-CD1 4.27Å; L92-L115 HydrophobicContact CG-CD1 4.33Å; L92-L115 WeakPolarHBondContact O-CA 3.22Å; L92-F116 PolarHBondContact O-N 2.98Å
93	I	70.7	Confident	56.9	Low	27 Å²	27	63.8 Å²	63.8	14%	0.138	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	121.7	-179.5	-52.7	-171.8	0	0	0	108.8	L66 M67 V68 K95 F116	L66-I93 PolarHBondContact O-N 3.46Å; M67-I93 CarbonylContact C-O 3.45Å; M67-I93 WeakPolarHBondContact CA-O 3.43Å; M67-I93 HydrophobicContact CB-CB 4.46Å; M67-I93 HydrophobicContact CE-CD1 3.87Å; M67-I93 HydrophobicContact CG-CB 4.1Å; M67-I93 HydrophobicContact CG-CD1 4.12Å; M67-I93 HydrophobicContact CG-CG1 4.32Å; M67-I93 HydrophobicContact SD-CD1 4.2Å; V68-I93 PolarHBondContact N-O 3Å; I93-K95 HydrophobicContact CG2-CG 4.27Å; I93-F116 HydrophobicContact CB-CB 4.22Å; I93-F116 HydrophobicContact CD1-CD2 4.14Å; I93-F116 HydrophobicContact CG1-CB 4.05Å; I93-F116 HydrophobicContact CG1-CD2 3.97Å; I93-F116 HydrophobicContact CG1-CG 4.35Å; I93-F116 HydrophobicContact CG2-CB 3.91Å
94	F	71	Confident	57	Low	9 Å²	9	63.3 Å²	63.3	4%	0.039	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	132.3	169.7	-74.2	-75.3	0	0	0	109.8	I55 V68 L92 L97 F105 F116 L117 N118 F120	I55-F94 HydrophobicContact CD1-CE1 4.04Å; I55-F94 HydrophobicContact CD1-CZ 4.09Å; V68-F94 HydrophobicContact CB-CD1 3.64Å; V68-F94 HydrophobicContact CB-CE1 3.82Å; V68-F94 HydrophobicContact CG1-CD1 4.07Å; V68-F94 HydrophobicContact CG1-CE1 4.08Å; V68-F94 HydrophobicContact CG2-CD1 4.2Å; V68-F94 HydrophobicContact CG2-CE1 3.92Å; V68-F94 WeakPolarHBondContact O-CA 3.24Å; L92-F94 HydrophobicContact CD1-CD2 4.48Å; L92-F94 HydrophobicContact CD1-CE2 4.01Å; L92-F94 HydrophobicContact CD1-CZ 4.27Å; L92-F94 HydrophobicContact CD2-CD2 4.19Å; L92-F94 HydrophobicContact CD2-CE2 3.48Å; L92-F94 VanDerWaalsContact CD2-CE2 3.48Å; L92-F94 HydrophobicContact CD2-CZ 4.23Å; L92-F94 HydrophobicContact CG-CD2 4Å; L92-F94 HydrophobicContact CG-CE2 3.68Å; L92-F94 HydrophobicContact CG-CZ 4.43Å; F94-L97 HydrophobicContact CB-CD1 3.66Å; F94-L97 HydrophobicContact CD1-CD1 3.16Å; F94-L97 HydrophobicContact CE1-CD1 3.92Å; F94-L97 HydrophobicContact CG-CD1 3.68Å; F94-F105 HydrophobicContact CE2-CE1 4.45Å; F94-F105 HydrophobicContact CE2-CZ 4.1Å; F94-F116 PolarHBondContact N-O 2.97Å; F94-L117 HydrophobicContact CB-CD2 4.16Å; F94-L117 HydrophobicContact CD2-CD2 3.86Å; F94-L117 HydrophobicContact CG-CD2 4.46Å; F94-N118 PolarHBondContact O-N 2.99Å; F94-F120 HydrophobicContact CB-CE1 4.28Å; F94-F120 HydrophobicContact CB-CE2 4.35Å; F94-F120 HydrophobicContact CB-CZ 3.48Å; F94-F120 VanDerWaalsContact CB-CZ 3.48Å; F94-F120 WeakPolarHBondContact O-CZ 3.18Å
95	K	62.7	Low	56.9	Low	107 Å²	107	64.2 Å²	64.2	47%	0.465	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	130.3	173.4	-67.3	-176.4	178.9	-178.8	0	109.7	V68 Y70 I93	V68-K95 PolarHBondContact O-N 2.96Å; Y70-K95 PolarHBondContact N-O 3.18Å; I93-K95 HydrophobicContact CG2-CG 4.27Å
96	N	56.8	Low	56.9	Low	87 Å²	87	66.4 Å²	66.4	47%	0.465	32%	0.318	S	S	.	.	S	Bend	trans	62.4	57.8	168.9	-153.5	15.4	0	0	0	114	N118	N96-N118 PolarHBondContact N-O 3.13Å
97	L	53.2	Low	56.6	Low	31 Å²	31	71.8 Å²	71.8	16%	0.162	35%	0.346	C	S	.	.			trans	-102.3	145.4	170.4	-96.2	119.7	0	0	0	111	F71 F94 F120	F71-L97 HydrophobicContact CB-CD1 4.47Å; F71-L97 HydrophobicContact CB-CD2 4.21Å; F71-L97 HydrophobicContact CB-CG 4.04Å; F71-L97 HydrophobicContact CD1-CD2 4.22Å; F94-L97 HydrophobicContact CB-CD1 3.66Å; F94-L97 HydrophobicContact CD1-CD1 3.16Å; F94-L97 HydrophobicContact CE1-CD1 3.92Å; F94-L97 HydrophobicContact CG-CD1 3.68Å; L97-F120 HydrophobicContact CB-CD1 3.71Å; L97-F120 HydrophobicContact CB-CE1 3.5Å; L97-F120 VanDerWaalsContact CB-CE1 3.5Å; L97-F120 HydrophobicContact CB-CZ 4.29Å; L97-F120 HydrophobicContact CD1-CE1 4.13Å; L97-F120 HydrophobicContact CD1-CZ 4.35Å; L97-F120 HydrophobicContact CG-CE1 4.43Å; L97-F120 VanDerWaalsContact O-CD1 3.28Å; L97-F120 WeakPolarHBondContact O-CD1 3.44Å
98	S	47.1	Very low	56.3	Low	63 Å²	63	65 Å²	65	44%	0.441	32%	0.322	S	S	.	.	S	Bend	trans	-83.2	-21.1	-178.1	49.6	0	0	0	0	114.6
99	Q	47	Very low	56	Low	94 Å²	94	59.7 Å²	59.7	44%	0.439	30%	0.298	S	S	.	.			trans	-163.4	145.4	178.2	-146.7	165.4	7.8	0	0	112.6	V77	V77-Q99 HydrophobicContact CG1-CG 4.19Å; V77-Q99 HydrophobicContact CG2-CB 3.84Å; V77-Q99 HydrophobicContact CG2-CG 4.38Å
100	F	46.2	Very low	55.6	Low	66 Å²	66	63.7 Å²	63.7	29%	0.289	32%	0.324	S	S	.	.			trans	-130.1	138.1	179.4	-177.6	-95.2	0	0	0	111.5	F105 L117	F100-F105 HydrophobicContact CD2-CE2 4.49Å; F100-F105 HydrophobicContact CE1-CE2 4.44Å; F100-F105 HydrophobicContact CE2-CD2 4.28Å; F100-F105 AromaticContact CE2-CE2 3.26Å; F100-F105 HydrophobicContact CE2-CE2 3.26Å; F100-F105 AromaticContact CE2-CZ 3.79Å; F100-F105 HydrophobicContact CE2-CZ 3.79Å; F100-F105 AromaticContact CZ-CD2 3.82Å; F100-F105 HydrophobicContact CZ-CD2 3.82Å; F100-F105 AromaticContact CZ-CE2 3.23Å; F100-F105 HydrophobicContact CZ-CE2 3.23Å; F100-F105 HydrophobicContact CZ-CZ 4.17Å; F100-L117 HydrophobicContact CD2-CD2 4.46Å; F100-L117 HydrophobicContact CE2-CD1 4.45Å; F100-L117 HydrophobicContact CE2-CD2 4.17Å; F100-L117 HydrophobicContact CZ-CD1 4.27Å
101	L	42.9	Very low	55.5	Low	85 Å²	85	61.8 Å²	61.8	45%	0.445	32%	0.322	S	S	.	.			trans	-110.4	131.1	174.6	-85.3	-178.6	0	0	0	112.5	V77 D103 T104	V77-L101 HydrophobicContact CG1-CD1 4.28Å; V77-L101 HydrophobicContact CG1-CG 4.18Å; V77-L101 WeakPolarHBondContact O-CD1 3.43Å; L101-D103 VanDerWaalsContact C-N 3.33Å; L101-D103 PolarHBondContact O-N 3.04Å; L101-T104 PolarHBondContact O-OG1 2.79Å
102	H	42.7	Very low	55.4	Low	48 Å²	48	61.5 Å²	61.5	22%	0.222	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-30.5	-172.4	-176.7	-88.1	0	0	0	116.3	N127 A128	H102-N127 PolarHBondContact CE1-O 2.9Å; H102-N127 PolarHBondContact ND1-O 3.01Å; H102-A128 VanDerWaalsContact CE1-CA 3.43Å; H102-A128 WeakPolarHBondContact CE1-CA 3.41Å; H102-A128 WeakPolarHBondContact NE2-CA 3.5Å; H102-A128 WeakPolarHBondContact NE2-CB 3.41Å
103	D	45.3	Very low	55.1	Low	135 Å²	135	64.9 Å²	64.9	72%	0.722	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	13.8	-165.4	-65.3	-20.4	0	0	0	115.5	L101	L101-D103 VanDerWaalsContact C-N 3.33Å; L101-D103 PolarHBondContact O-N 3.04Å
104	T	49.9	Very low	55.1	Low	51 Å²	51	64.2 Å²	64.2	31%	0.313	33%	0.329	S	S	.	.	S	Bend	trans	-88.5	-20.5	-159.9	-44.4	0	0	0	0	115.3	L101	L101-T104 PolarHBondContact O-OG1 2.79Å
105	F	53	Low	55.3	Low	26 Å²	26	64.3 Å²	64.3	11%	0.114	33%	0.329	C	S	.	.	S	Bend	trans	-106.6	-12.8	-164.9	-63.5	-82.5	0	0	0	116	L92 F94 F100	L92-F105 HydrophobicContact CD2-CD1 4.14Å; L92-F105 HydrophobicContact CD2-CE1 3.42Å; L92-F105 VanDerWaalsContact CD2-CE1 3.42Å; L92-F105 HydrophobicContact CD2-CZ 4.18Å; F94-F105 HydrophobicContact CE2-CE1 4.45Å; F94-F105 HydrophobicContact CE2-CZ 4.1Å; F100-F105 HydrophobicContact CD2-CE2 4.49Å; F100-F105 HydrophobicContact CE1-CE2 4.44Å; F100-F105 HydrophobicContact CE2-CD2 4.28Å; F100-F105 AromaticContact CE2-CE2 3.26Å; F100-F105 HydrophobicContact CE2-CE2 3.26Å; F100-F105 AromaticContact CE2-CZ 3.79Å; F100-F105 HydrophobicContact CE2-CZ 3.79Å; F100-F105 AromaticContact CZ-CD2 3.82Å; F100-F105 HydrophobicContact CZ-CD2 3.82Å; F100-F105 AromaticContact CZ-CE2 3.23Å; F100-F105 HydrophobicContact CZ-CE2 3.23Å; F100-F105 HydrophobicContact CZ-CZ 4.17Å
106	K	48.3	Very low	55.7	Low	132 Å²	132	61.9 Å²	61.9	57%	0.574	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-42	-170.7	-173	172.6	178.5	169.8	0	113.7	N108 H130	K106-N108 PolarHBondContact O-N 3.37Å; K106-H130 PolarHBondContact NZ-O 2.9Å
107	D	49.6	Very low	56.4	Low	130 Å²	130	58.2 Å²	58.2	70%	0.695	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-9.5	-169.1	-63.6	-25.5	0	0	0	113.9
108	N	51.9	Low	57	Low	19 Å²	19	58 Å²	58	10%	0.102	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.9	-14.6	-163.7	-62.9	-62.5	0	0	0	117.5	M83 K106	M83-N108 WeakPolarHBondContact CE-ND2 3.02Å; M83-N108 WeakPolarHBondContact CE-OD1 3.21Å; M83-N108 WeakPolarHBondContact CG-ND2 3.47Å; M83-N108 PolarHBondContact SD-ND2 3.34Å; K106-N108 PolarHBondContact O-N 3.37Å
109	N	59.2	Low	57.6	Low	9 Å²	9	59.9 Å²	59.9	5%	0.048	30%	0.3	C	S	.	.			trans	-133.6	70.9	-175	-51.8	105.7	0	0	0	113	V84 T86 N111 L112	V84-N109 PolarHBondContact O-ND2 3.39Å; T86-N109 PolarHBondContact O-ND2 2.96Å; N109-N111 PolarHBondContact O-N 3.07Å; N109-L112 HydrophobicContact CB-CB 4.25Å; N109-L112 PolarHBondContact O-N 3.3Å
110	P	60.4	Low	58.4	Low	87 Å²	87	55.8 Å²	55.8	57%	0.565	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-18.6	-174.9	27.2	-35.4	0	0	0	114.7
111	N	64.3	Low	58.6	Low	77 Å²	77	60.3 Å²	60.3	41%	0.412	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	3.1	-176.1	-63.6	-52	0	0	0	113.9	R87 L89 N109 R113	R87-N111 PolarHBondContact O-ND2 2.96Å; R87-N111 VanDerWaalsContact O-ND2 3.08Å; L89-N111 CarbonylContact O-C 3.58Å; N109-N111 PolarHBondContact O-N 3.07Å; N111-R113 PolarHBondContact O-N 2.83Å
112	L	66.9	Low	59.2	Low	6 Å²	6	57.8 Å²	57.8	3%	0.031	29%	0.289	C	S	.	.			trans	-68.9	120.4	-175.6	-165.7	66.8	0	0	0	109.7	L89 L92 N109 F135	L89-L112 HydrophobicContact CB-CD1 4.21Å; L89-L112 WeakPolarHBondContact O-CA 3.39Å; L89-L112 PolarHBondContact O-N 2.79Å; L92-L112 HydrophobicContact CB-CD1 3.89Å; L92-L112 HydrophobicContact CB-CD2 4.41Å; N109-L112 HydrophobicContact CB-CB 4.25Å; N109-L112 PolarHBondContact O-N 3.3Å; L112-F135 HydrophobicContact CB-CE1 4.19Å; L112-F135 HydrophobicContact CD2-CE1 3.65Å; L112-F135 HydrophobicContact CD2-CZ 4.2Å; L112-F135 HydrophobicContact CG-CE1 3.77Å
113	R	68.4	Low	59.3	Low	74 Å²	74	63.8 Å²	63.8	28%	0.279	32%	0.317	S	S	.	.			trans	-113.9	-25.8	-178.6	-65.1	-58.5	-172.9	-121.4	10.2	112.3	Y90 N111 S134 F135 I136 I137	Y90-R113 HydrophobicContact CD2-CB 3.98Å; Y90-R113 HydrophobicContact CD2-CG 3.79Å; Y90-R113 HydrophobicContact CE1-CB 4.41Å; Y90-R113 HydrophobicContact CE2-CB 3.61Å; Y90-R113 HydrophobicContact CE2-CG 3.46Å; Y90-R113 VanDerWaalsContact CE2-CG 3.46Å; Y90-R113 PolarHBondContact O-N 3.43Å; N111-R113 PolarHBondContact O-N 2.83Å; R113-S134 WeakPolarHBondContact CD-O 3.44Å; R113-S134 VanDerWaalsContact NH1-CB 3.3Å; R113-S134 PolarHBondContact NH1-OG 3.33Å; R113-F135 CarbonylContact O-C 3.54Å; R113-F135 WeakPolarHBondContact O-CA 3.39Å; R113-I136 HydrophobicContact CB-CB 4.39Å; R113-I136 HydrophobicContact CB-CD1 3.9Å; R113-I136 HydrophobicContact CB-CG1 4.09Å; R113-I136 HydrophobicContact CG-CD1 3.91Å; R113-I136 HydrophobicContact CG-CG1 4.37Å; R113-I136 PolarHBondContact O-N 2.75Å; R113-I137 PolarHBondContact O-N 3.34Å
114	V	70.4	Confident	59.6	Low	13 Å²	13	59.7 Å²	59.7	8%	0.079	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	123.3	-174.5	175.6	0	0	0	0	109.9	Y90 S91 L92 F116 I137	Y90-V114 HydrophobicContact CD1-CG2 4.49Å; Y90-V114 HydrophobicContact CE1-CG2 3.88Å; Y90-V114 PolarHBondContact O-N 3.39Å; S91-V114 WeakPolarHBondContact CA-O 3.44Å; L92-V114 PolarHBondContact N-O 2.82Å; V114-F116 HydrophobicContact CG1-CD2 3.6Å; V114-F116 HydrophobicContact CG1-CE2 3.29Å; V114-F116 HydrophobicContact CG1-CZ 4.43Å; V114-I137 HydrophobicContact CG1-CB 4.29Å; V114-I137 HydrophobicContact CG2-CB 4.26Å; V114-I137 HydrophobicContact CG2-CD1 4.37Å; V114-I137 HydrophobicContact CG2-CG1 4.36Å
115	L	74.3	Confident	59.1	Low	10 Å²	10	60.2 Å²	60.2	5%	0.052	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	116.8	179.3	-178.4	62.6	0	0	0	110.7	L92 L117 F135 I137 L138 S139	L92-L115 HydrophobicContact CB-CD1 4.15Å; L92-L115 HydrophobicContact CD2-CD1 4.27Å; L92-L115 HydrophobicContact CG-CD1 4.33Å; L92-L115 WeakPolarHBondContact O-CA 3.22Å; L115-L117 HydrophobicContact CD1-CD2 4.11Å; L115-L117 HydrophobicContact CD1-CG 4.16Å; L115-L117 HydrophobicContact CD2-CD1 4.05Å; L115-L117 HydrophobicContact CD2-CG 4.31Å; L115-L117 HydrophobicContact CG-CD1 4.31Å; L115-L117 HydrophobicContact CG-CG 4.01Å; L115-F135 HydrophobicContact CB-CD1 4.16Å; L115-F135 HydrophobicContact CB-CE1 3.87Å; L115-F135 HydrophobicContact CB-CZ 4.3Å; L115-F135 HydrophobicContact CD2-CE1 4.2Å; L115-F135 HydrophobicContact CD2-CE2 4.24Å; L115-F135 HydrophobicContact CD2-CZ 3.78Å; L115-I137 PolarHBondContact N-O 3.02Å; L115-L138 HydrophobicContact CB-CD1 4.27Å; L115-L138 HydrophobicContact CD2-CD1 4.11Å; L115-L138 HydrophobicContact CG-CD1 4.29Å; L115-L138 WeakPolarHBondContact O-CA 3.45Å; L115-S139 PolarHBondContact O-N 2.64Å
116	F	71.2	Confident	58.5	Low	56 Å²	56	65 Å²	65	25%	0.246	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	120.8	173.8	-73.1	-94.1	0	0	0	110.5	L92 I93 F94 V114 I137	L92-F116 PolarHBondContact O-N 2.98Å; I93-F116 HydrophobicContact CB-CB 4.22Å; I93-F116 HydrophobicContact CD1-CD2 4.14Å; I93-F116 HydrophobicContact CG1-CB 4.05Å; I93-F116 HydrophobicContact CG1-CD2 3.97Å; I93-F116 HydrophobicContact CG1-CG 4.35Å; I93-F116 HydrophobicContact CG2-CB 3.91Å; F94-F116 PolarHBondContact N-O 2.97Å; V114-F116 HydrophobicContact CG1-CD2 3.6Å; V114-F116 HydrophobicContact CG1-CE2 3.29Å; V114-F116 HydrophobicContact CG1-CZ 4.43Å; F116-I137 HydrophobicContact CE1-CG2 4.5Å; F116-I137 HydrophobicContact CE2-CG2 4.23Å; F116-I137 HydrophobicContact CZ-CG2 3.83Å
117	L	71.3	Confident	57.9	Low	10 Å²	10	64.5 Å²	64.5	5%	0.052	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	85.6	-178.3	-72.3	-176.4	0	0	0	108.4	F94 F100 L115 F120 S139 L140 N143	F94-L117 HydrophobicContact CB-CD2 4.16Å; F94-L117 HydrophobicContact CD2-CD2 3.86Å; F94-L117 HydrophobicContact CG-CD2 4.46Å; F100-L117 HydrophobicContact CD2-CD2 4.46Å; F100-L117 HydrophobicContact CE2-CD1 4.45Å; F100-L117 HydrophobicContact CE2-CD2 4.17Å; F100-L117 HydrophobicContact CZ-CD1 4.27Å; L115-L117 HydrophobicContact CD1-CD2 4.11Å; L115-L117 HydrophobicContact CD1-CG 4.16Å; L115-L117 HydrophobicContact CD2-CD1 4.05Å; L115-L117 HydrophobicContact CD2-CG 4.31Å; L115-L117 HydrophobicContact CG-CD1 4.31Å; L115-L117 HydrophobicContact CG-CG 4.01Å; L117-F120 HydrophobicContact CB-CD2 3.98Å; L117-F120 HydrophobicContact CB-CE2 3.39Å; L117-F120 HydrophobicContact CB-CZ 4.39Å; L117-F120 HydrophobicContact CD2-CE2 3.61Å; L117-F120 HydrophobicContact CD2-CZ 4.2Å; L117-F120 HydrophobicContact CG-CE2 4.01Å; L117-S139 CarbonylContact C-O 3.57Å; L117-S139 WeakPolarHBondContact CA-O 3.23Å; L117-S139 WeakPolarHBondContact CB-O 3.39Å; L117-S139 PolarHBondContact N-O 2.83Å; L117-L140 HydrophobicContact CB-CD2 3.9Å; L117-L140 HydrophobicContact CD1-CD2 3.98Å; L117-L140 WeakPolarHBondContact O-CA 3.41Å; L117-N143 PolarHBondContact O-ND2 2.93Å; L117-N143 PolarHBondContact O-OD1 2.92Å
118	N	67	Low	57.5	Low	27 Å²	27	59.6 Å²	59.6	14%	0.144	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	147	-170.8	-62.5	-8.8	0	0	0	112.9	F94 N96 F120 S139 A141	F94-N118 PolarHBondContact O-N 2.99Å; N96-N118 PolarHBondContact N-O 3.13Å; N118-F120 WeakPolarHBondContact O-CE1 3.24Å; N118-S139 PolarHBondContact ND2-OG 3.02Å; N118-S139 PolarHBondContact OD1-OG 3.33Å; N118-A141 VanDerWaalsContact CA-O 3.32Å; N118-A141 WeakPolarHBondContact CA-O 3.37Å; N118-A141 PolarHBondContact OD1-N 3.5Å
119	H	58.4	Low	56.8	Low	102 Å²	102	66 Å²	66	47%	0.472	34%	0.343	S	S	.	.	S	Bend	trans	60.5	54.6	179.6	-55.6	-77.8	0	0	0	114.1	A141 Y142 N143	H119-A141 PolarHBondContact N-O 2.89Å; H119-Y142 WeakPolarHBondContact CA-O 3Å; H119-Y142 WeakPolarHBondContact CE1-CB 3.45Å; H119-Y142 AromaticContact CE1-CG 3.62Å; H119-Y142 WeakPolarHBondContact ND1-CB 3.39Å; H119-N143 PolarHBondContact N-OD1 2.92Å
120	F	64.4	Low	55.8	Low	9 Å²	9	72.6 Å²	72.6	4%	0.039	37%	0.373	C	S	.	.			trans	-117.4	147.2	177.8	-57.4	-35.4	0	0	0	112.2	F94 L97 L117 N118 I122 N143	F94-F120 HydrophobicContact CB-CE1 4.28Å; F94-F120 HydrophobicContact CB-CE2 4.35Å; F94-F120 HydrophobicContact CB-CZ 3.48Å; F94-F120 VanDerWaalsContact CB-CZ 3.48Å; F94-F120 WeakPolarHBondContact O-CZ 3.18Å; L97-F120 HydrophobicContact CB-CD1 3.71Å; L97-F120 HydrophobicContact CB-CE1 3.5Å; L97-F120 VanDerWaalsContact CB-CE1 3.5Å; L97-F120 HydrophobicContact CB-CZ 4.29Å; L97-F120 HydrophobicContact CD1-CE1 4.13Å; L97-F120 HydrophobicContact CD1-CZ 4.35Å; L97-F120 HydrophobicContact CG-CE1 4.43Å; L97-F120 VanDerWaalsContact O-CD1 3.28Å; L97-F120 WeakPolarHBondContact O-CD1 3.44Å; L117-F120 HydrophobicContact CB-CD2 3.98Å; L117-F120 HydrophobicContact CB-CE2 3.39Å; L117-F120 HydrophobicContact CB-CZ 4.39Å; L117-F120 HydrophobicContact CD2-CE2 3.61Å; L117-F120 HydrophobicContact CD2-CZ 4.2Å; L117-F120 HydrophobicContact CG-CE2 4.01Å; N118-F120 WeakPolarHBondContact O-CE1 3.24Å; F120-I122 HydrophobicContact CB-CD1 4Å; F120-I122 HydrophobicContact CB-CG1 3.4Å; F120-I122 VanDerWaalsContact CB-CG1 3.4Å; F120-I122 HydrophobicContact CD2-CD1 3.98Å; F120-I122 HydrophobicContact CD2-CG1 4.24Å; F120-I122 HydrophobicContact CG-CG1 4.31Å; F120-I122 PolarHBondContact O-N 3.02Å; F120-N143 WeakPolarHBondContact CB-OD1 3.38Å; F120-N143 PolarHBondContact N-OD1 3.29Å; F120-N143 CarbonylContact O-C 3.47Å; F120-N143 VanDerWaalsContact O-CA 3.25Å; F120-N143 WeakPolarHBondContact O-CA 2.99Å
121	Q	51.8	Low	55	Low	160 Å²	160	70.3 Å²	70.3	75%	0.748	36%	0.356	S	S	*	.			trans	-89.4	84	161.5	-76.4	174.6	-51.2	0	0	108.2
122	I	54.7	Low	53.8	Low	33 Å²	33	72.3 Å²	72.3	17%	0.169	37%	0.374	C	S	.	.			trans	-88.9	129.1	-176.1	-40.9	179.2	0	0	0	110.4	F120 I124 N143 L145	F120-I122 HydrophobicContact CB-CD1 4Å; F120-I122 HydrophobicContact CB-CG1 3.4Å; F120-I122 VanDerWaalsContact CB-CG1 3.4Å; F120-I122 HydrophobicContact CD2-CD1 3.98Å; F120-I122 HydrophobicContact CD2-CG1 4.24Å; F120-I122 HydrophobicContact CG-CG1 4.31Å; F120-I122 PolarHBondContact O-N 3.02Å; I122-I124 HydrophobicContact CB-CG1 4.07Å; I122-I124 HydrophobicContact CG2-CB 4.37Å; I122-I124 HydrophobicContact CG2-CG1 3.46Å; I122-I124 VanDerWaalsContact CG2-CG1 3.46Å; I122-N143 HydrophobicContact CD1-CB 4.21Å; I122-N143 HydrophobicContact CG1-CB 4.42Å; I122-L145 HydrophobicContact CB-CD2 4.07Å; I122-L145 HydrophobicContact CD1-CD2 4.46Å; I122-L145 HydrophobicContact CG1-CD2 4.47Å
123	Q	43.8	Very low	53.1	Low	173 Å²	173	73.7 Å²	73.7	81%	0.808	38%	0.382	S	S	*	.			trans	-94.1	101.9	149.7	-81.7	-170.7	-39.8	0	0	107.4	S125	Q123-S125 PolarHBondContact O-N 3.14Å
124	I	51.8	Low	52.5	Low	50 Å²	50	72.2 Å²	72.2	26%	0.256	38%	0.383	S	S	.	.			trans	-78.5	111.9	178.9	-49.5	170	0	0	0	107.2	I122 L145 L148 P149	I122-I124 HydrophobicContact CB-CG1 4.07Å; I122-I124 HydrophobicContact CG2-CB 4.37Å; I122-I124 HydrophobicContact CG2-CG1 3.46Å; I122-I124 VanDerWaalsContact CG2-CG1 3.46Å; I124-L145 HydrophobicContact CD1-CD1 4.17Å; I124-L145 HydrophobicContact CD1-CD2 3.8Å; I124-L145 HydrophobicContact CG1-CD2 4.25Å; I124-L148 HydrophobicContact CD1-CD2 3.6Å; I124-P149 HydrophobicContact CB-CG 3.81Å; I124-P149 HydrophobicContact CG2-CG 3.24Å
125	S	40.7	Very low	52.2	Low	62 Å²	62	72.1 Å²	72.1	43%	0.434	38%	0.381	S	S	.	.			trans	-72.2	148.4	178.7	64.7	0	0	0	0	111.5	Q123 N127	Q123-S125 PolarHBondContact O-N 3.14Å; S125-N127 PolarHBondContact O-N 3.37Å
126	T	39.8	Very low	52	Low	126 Å²	126	73.9 Å²	73.9	77%	0.773	39%	0.39	S	S	*	.	S	Bend	trans	-76.1	4	-170.1	42.2	0	0	0	0	115.4	A128	T126-A128 PolarHBondContact O-N 2.85Å
127	N	36.6	Very low	52.3	Low	121 Å²	121	73.3 Å²	73.3	65%	0.647	39%	0.39	S	S	*	.			trans	-100.8	53.2	-176.4	-84.3	-4.8	0	0	0	113.2	H102 S125 Q129	H102-N127 PolarHBondContact CE1-O 2.9Å; H102-N127 PolarHBondContact ND1-O 3.01Å; S125-N127 PolarHBondContact O-N 3.37Å; N127-Q129 PolarHBondContact O-N 3.1Å
128	A	40.9	Very low	52.8	Low	28 Å²	28	73.4 Å²	73.4	23%	0.231	39%	0.39	C	S	.	.			trans	-77	59.9	170.4	0	0	0	0	0	112.9	H102 T126 H130	H102-A128 VanDerWaalsContact CE1-CA 3.43Å; H102-A128 WeakPolarHBondContact CE1-CA 3.41Å; H102-A128 WeakPolarHBondContact NE2-CA 3.5Å; H102-A128 WeakPolarHBondContact NE2-CB 3.41Å; T126-A128 PolarHBondContact O-N 2.85Å; A128-H130 PolarHBondContact O-N 3.45Å
129	Q	36.6	Very low	53.6	Low	153 Å²	153	72.1 Å²	72.1	72%	0.715	38%	0.383	S	S	*	.			trans	-80.1	109	176.5	-113.1	171.4	8.7	0	0	111.2	N127	N127-Q129 PolarHBondContact O-N 3.1Å
130	H	38	Very low	54.8	Low	147 Å²	147	67.8 Å²	67.8	68%	0.681	36%	0.363	S	S	*	.			trans	53	79.7	165.6	-57.6	-65.5	0	0	0	115.6	K106 A128 C132	K106-H130 PolarHBondContact NZ-O 2.9Å; A128-H130 PolarHBondContact O-N 3.45Å; H130-C132 PolarHBondContact O-N 2.86Å
131	I	42.7	Very low	55.8	Low	40 Å²	40	67.4 Å²	67.4	21%	0.205	36%	0.362	C	S	.	.			trans	-85.8	101.9	169.2	-59.7	177.4	0	0	0	108.6	L133 L156	I131-L133 VanDerWaalsContact C-N 3.31Å; I131-L133 HydrophobicContact CG2-CB 3.63Å; I131-L133 HydrophobicContact CG2-CD1 3.36Å; I131-L133 HydrophobicContact CG2-CG 3.44Å; I131-L133 VanDerWaalsContact CG2-CG 3.44Å; I131-L133 PolarHBondContact O-N 2.02Å; I131-L156 HydrophobicContact CG2-CD2 3.83Å
132	C	39.2	Very low	57.3	Low	118 Å²	118	65 Å²	65	80%	0.797	35%	0.346	S	S	*	.			trans	-93.7	65.1	167.9	-167.5	0	0	0	0	108.6	H130	H130-C132 PolarHBondContact O-N 2.86Å
133	L	52.9	Low	58.4	Low	35 Å²	35	63.5 Å²	63.5	18%	0.183	34%	0.339	C	S	.	.			trans	-110.6	138.2	177.3	-65.6	171.5	0	0	0	109	I131 F135 L156	I131-L133 VanDerWaalsContact C-N 3.31Å; I131-L133 HydrophobicContact CG2-CB 3.63Å; I131-L133 HydrophobicContact CG2-CD1 3.36Å; I131-L133 HydrophobicContact CG2-CG 3.44Å; I131-L133 VanDerWaalsContact CG2-CG 3.44Å; I131-L133 PolarHBondContact O-N 2.02Å; L133-F135 VanDerWaalsContact C-N 3.35Å; L133-F135 HydrophobicContact CB-CD2 3.69Å; L133-F135 HydrophobicContact CB-CE2 3.53Å; L133-F135 HydrophobicContact CB-CG 4.42Å; L133-F135 HydrophobicContact CB-CZ 4.1Å; L133-F135 HydrophobicContact CD1-CD2 4.28Å; L133-F135 HydrophobicContact CD1-CE2 3.28Å; L133-F135 HydrophobicContact CD1-CZ 3.57Å; L133-F135 HydrophobicContact CG-CE2 3.95Å; L133-F135 HydrophobicContact CG-CZ 4.28Å; L133-F135 PolarHBondContact O-N 2.85Å; L133-L156 HydrophobicContact CB-CD2 3.93Å; L133-L156 WeakPolarHBondContact O-CD2 3.46Å
134	S	55.8	Low	60.3	Low	44 Å²	44	59.8 Å²	59.8	31%	0.308	32%	0.324	S	S	.	.			trans	-100.3	50.8	-177.4	25.1	0	0	0	0	110.8	R113	R113-S134 WeakPolarHBondContact CD-O 3.44Å; R113-S134 VanDerWaalsContact NH1-CB 3.3Å; R113-S134 PolarHBondContact NH1-OG 3.33Å
135	F	64.3	Low	61.9	Low	10 Å²	10	57.8 Å²	57.8	4%	0.044	31%	0.314	C	S	.	.			trans	-67.2	134.1	176.4	-64.9	-57.5	0	0	0	111	L112 R113 L115 L133 L156 A158 L159	L112-F135 HydrophobicContact CB-CE1 4.19Å; L112-F135 HydrophobicContact CD2-CE1 3.65Å; L112-F135 HydrophobicContact CD2-CZ 4.2Å; L112-F135 HydrophobicContact CG-CE1 3.77Å; R113-F135 CarbonylContact O-C 3.54Å; R113-F135 WeakPolarHBondContact O-CA 3.39Å; L115-F135 HydrophobicContact CB-CD1 4.16Å; L115-F135 HydrophobicContact CB-CE1 3.87Å; L115-F135 HydrophobicContact CB-CZ 4.3Å; L115-F135 HydrophobicContact CD2-CE1 4.2Å; L115-F135 HydrophobicContact CD2-CE2 4.24Å; L115-F135 HydrophobicContact CD2-CZ 3.78Å; L133-F135 VanDerWaalsContact C-N 3.35Å; L133-F135 HydrophobicContact CB-CD2 3.69Å; L133-F135 HydrophobicContact CB-CE2 3.53Å; L133-F135 HydrophobicContact CB-CG 4.42Å; L133-F135 HydrophobicContact CB-CZ 4.1Å; L133-F135 HydrophobicContact CD1-CD2 4.28Å; L133-F135 HydrophobicContact CD1-CE2 3.28Å; L133-F135 HydrophobicContact CD1-CZ 3.57Å; L133-F135 HydrophobicContact CG-CE2 3.95Å; L133-F135 HydrophobicContact CG-CZ 4.28Å; L133-F135 PolarHBondContact O-N 2.85Å; F135-L156 HydrophobicContact CD2-CD1 4.49Å; F135-L156 HydrophobicContact CD2-CD2 3.93Å; F135-A158 CarbonylContact O-C 3.53Å; F135-L159 HydrophobicContact CB-CD1 4.48Å; F135-L159 WeakPolarHBondContact O-CA 3.49Å; F135-L159 PolarHBondContact O-N 3.46Å
136	I	71	Confident	64.2	Low	47 Å²	47	60.5 Å²	60.5	24%	0.241	32%	0.32	C	S	.	.	S	Bend	trans	-93.2	-38.1	172.6	-62.8	175.4	0	0	0	110.3	R113 A158 T160 K161	R113-I136 HydrophobicContact CB-CB 4.39Å; R113-I136 HydrophobicContact CB-CD1 3.9Å; R113-I136 HydrophobicContact CB-CG1 4.09Å; R113-I136 HydrophobicContact CG-CD1 3.91Å; R113-I136 HydrophobicContact CG-CG1 4.37Å; R113-I136 PolarHBondContact O-N 2.75Å; I136-A158 WeakPolarHBondContact CA-O 3.46Å; I136-T160 HydrophobicContact CG2-CG2 4Å; I136-T160 WeakPolarHBondContact CG2-OG1 3.27Å; I136-T160 PolarHBondContact O-N 3.29Å; I136-T160 PolarHBondContact O-OG1 3.16Å; I136-K161 PolarHBondContact O-N 3.19Å
137	I	76.1	Confident	66.3	Low	45 Å²	45	57.2 Å²	57.2	23%	0.231	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	127.7	179.4	-53.9	-178.7	0	0	0	109.9	R113 V114 L115 F116 K161	R113-I137 PolarHBondContact O-N 3.34Å; V114-I137 HydrophobicContact CG1-CB 4.29Å; V114-I137 HydrophobicContact CG2-CB 4.26Å; V114-I137 HydrophobicContact CG2-CD1 4.37Å; V114-I137 HydrophobicContact CG2-CG1 4.36Å; L115-I137 PolarHBondContact N-O 3.02Å; F116-I137 HydrophobicContact CE1-CG2 4.5Å; F116-I137 HydrophobicContact CE2-CG2 4.23Å; F116-I137 HydrophobicContact CZ-CG2 3.83Å; I137-K161 WeakPolarHBondContact CA-O 3.33Å; I137-K161 HydrophobicContact CG1-CB 4.3Å; I137-K161 HydrophobicContact CG2-CB 4.27Å; I137-K161 HydrophobicContact CG2-CG 4.48Å
138	L	82.7	Confident	68.6	Low	12 Å²	12	51.6 Å²	51.6	6%	0.063	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	126.9	174.3	178.4	62.6	0	0	0	110.3	L115 L140 F153 L159 K161 V162 D163	L115-L138 HydrophobicContact CB-CD1 4.27Å; L115-L138 HydrophobicContact CD2-CD1 4.11Å; L115-L138 HydrophobicContact CG-CD1 4.29Å; L115-L138 WeakPolarHBondContact O-CA 3.45Å; L138-L140 HydrophobicContact CG-CG 4.47Å; L138-F153 HydrophobicContact CD2-CD1 4.05Å; L138-F153 HydrophobicContact CD2-CE1 3.6Å; L138-L159 HydrophobicContact CB-CD1 4.19Å; L138-L159 HydrophobicContact CD2-CD1 4.49Å; L138-K161 PolarHBondContact N-O 3.37Å; L138-V162 CarbonylContact O-C 3.51Å; L138-V162 VanDerWaalsContact O-CA 3.24Å; L138-V162 WeakPolarHBondContact O-CA 3.32Å; L138-D163 PolarHBondContact O-N 2.86Å
139	S	83.3	Confident	70.4	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	124.3	173.6	177.6	0	0	0	0	110.2	L115 L117 N118 D163	L115-S139 PolarHBondContact O-N 2.64Å; L117-S139 CarbonylContact C-O 3.57Å; L117-S139 WeakPolarHBondContact CA-O 3.23Å; L117-S139 WeakPolarHBondContact CB-O 3.39Å; L117-S139 PolarHBondContact N-O 2.83Å; N118-S139 PolarHBondContact ND2-OG 3.02Å; N118-S139 PolarHBondContact OD1-OG 3.33Å; S139-D163 WeakPolarHBondContact CA-O 3.34Å
140	L	83.3	Confident	72.4	Confident	11 Å²	11	47.6 Å²	47.6	6%	0.058	25%	0.247	C	C	.	.			trans	-119.8	33	171.3	-61	169.1	0	0	0	110.1	L117 L138 N143 L145 L148 L152 D163 L164 N167	L117-L140 HydrophobicContact CB-CD2 3.9Å; L117-L140 HydrophobicContact CD1-CD2 3.98Å; L117-L140 WeakPolarHBondContact O-CA 3.41Å; L138-L140 HydrophobicContact CG-CG 4.47Å; L140-N143 WeakPolarHBondContact CA-ND2 3.06Å; L140-N143 PolarHBondContact O-ND2 2.81Å; L140-L145 HydrophobicContact CB-CD1 4.31Å; L140-L148 HydrophobicContact CD1-CD2 4.19Å; L140-L152 HydrophobicContact CD1-CD2 4.05Å; L140-D163 PolarHBondContact N-O 3.47Å; L140-L164 HydrophobicContact CB-CD2 3.82Å; L140-L164 HydrophobicContact CD1-CD2 4.11Å; L140-L164 HydrophobicContact CG-CD2 4.41Å; L140-N167 PolarHBondContact O-ND2 3.08Å
141	A	85.4	Confident	74.1	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	147.2	-172.2	0	0	0	0	0	112.4	N118 H119 N143 D163 R165	N118-A141 VanDerWaalsContact CA-O 3.32Å; N118-A141 WeakPolarHBondContact CA-O 3.37Å; N118-A141 PolarHBondContact OD1-N 3.5Å; H119-A141 PolarHBondContact N-O 2.89Å; A141-N143 VanDerWaalsContact C-N 3.29Å; A141-N143 PolarHBondContact O-N 2.85Å; A141-N143 PolarHBondContact O-OD1 2.87Å; A141-D163 HydrophobicContact CB-CB 4.44Å; A141-D163 PolarHBondContact N-O 3.33Å; A141-R165 CarbonylContact C-O 3.53Å; A141-R165 WeakPolarHBondContact CA-O 3.46Å; A141-R165 WeakPolarHBondContact CB-O 3.1Å
142	Y	83.4	Confident	75.8	Confident	109 Å²	109	43 Å²	43	43%	0.427	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	34.5	175.7	-55.1	-85.7	0	0	0	114.2	H119 R165	H119-Y142 WeakPolarHBondContact CA-O 3Å; H119-Y142 WeakPolarHBondContact CE1-CB 3.45Å; H119-Y142 AromaticContact CE1-CG 3.62Å; H119-Y142 WeakPolarHBondContact ND1-CB 3.39Å; Y142-R165 PolarHBondContact N-O 3.39Å
143	N	78.4	Confident	77.8	Confident	3 Å²	3	37.7 Å²	37.7	2%	0.016	19%	0.191	C	C	.	.	S	Bend	trans	-99.4	9.4	-179.1	-69.3	-27.9	0	0	0	113.4	L117 H119 F120 I122 L140 A141 L145 N167	L117-N143 PolarHBondContact O-ND2 2.93Å; L117-N143 PolarHBondContact O-OD1 2.92Å; H119-N143 PolarHBondContact N-OD1 2.92Å; F120-N143 WeakPolarHBondContact CB-OD1 3.38Å; F120-N143 PolarHBondContact N-OD1 3.29Å; F120-N143 CarbonylContact O-C 3.47Å; F120-N143 VanDerWaalsContact O-CA 3.25Å; F120-N143 WeakPolarHBondContact O-CA 2.99Å; I122-N143 HydrophobicContact CD1-CB 4.21Å; I122-N143 HydrophobicContact CG1-CB 4.42Å; L140-N143 WeakPolarHBondContact CA-ND2 3.06Å; L140-N143 PolarHBondContact O-ND2 2.81Å; A141-N143 VanDerWaalsContact C-N 3.29Å; A141-N143 PolarHBondContact O-N 2.85Å; A141-N143 PolarHBondContact O-OD1 2.87Å; N143-L145 HydrophobicContact CB-CD1 3.95Å; N143-L145 HydrophobicContact CB-CD2 4.27Å; N143-L145 HydrophobicContact CB-CG 3.71Å; N143-L145 PolarHBondContact O-N 3.44Å; N143-N167 WeakPolarHBondContact CA-OD1 3.49Å; N143-N167 WeakPolarHBondContact CB-OD1 3.47Å; N143-N167 PolarHBondContact N-OD1 3.44Å; N143-N167 VanDerWaalsContact N-OD1 3.08Å
144	N	83.7	Confident	78.7	Confident	94 Å²	94	42.3 Å²	42.3	50%	0.503	21%	0.21	S	C	.	.			trans	50.5	31.6	-176.3	-61.6	-31.5	0	0	0	114.2	E146 N167 H168	N144-E146 PolarHBondContact O-N 3.35Å; N144-N167 PolarHBondContact N-OD1 3.43Å; N144-N167 VanDerWaalsContact N-OD1 3.16Å; N144-H168 PolarHBondContact OD1-CE1 3.41Å; N144-H168 PolarHBondContact OD1-ND1 3.33Å
145	L	84.8	Confident	79.3	Confident	8 Å²	8	42.3 Å²	42.3	4%	0.042	22%	0.216	C	C	.	.			trans	-70.5	130.5	-177.1	-61.1	169.4	0	0	0	110.4	I122 I124 L140 N143 L148 N167 H168 F169	I122-L145 HydrophobicContact CB-CD2 4.07Å; I122-L145 HydrophobicContact CD1-CD2 4.46Å; I122-L145 HydrophobicContact CG1-CD2 4.47Å; I124-L145 HydrophobicContact CD1-CD1 4.17Å; I124-L145 HydrophobicContact CD1-CD2 3.8Å; I124-L145 HydrophobicContact CG1-CD2 4.25Å; L140-L145 HydrophobicContact CB-CD1 4.31Å; N143-L145 HydrophobicContact CB-CD1 3.95Å; N143-L145 HydrophobicContact CB-CD2 4.27Å; N143-L145 HydrophobicContact CB-CG 3.71Å; N143-L145 PolarHBondContact O-N 3.44Å; L145-L148 HydrophobicContact CD1-CD2 3.75Å; L145-N167 HydrophobicContact CB-CB 4.13Å; L145-N167 WeakPolarHBondContact CB-OD1 3.3Å; L145-N167 WeakPolarHBondContact CG-OD1 3.4Å; L145-N167 PolarHBondContact N-OD1 2.64Å; L145-H168 CarbonylContact O-C 3.54Å; L145-H168 WeakPolarHBondContact O-CA 3.47Å; L145-H168 PolarHBondContact O-N 2.97Å; L145-F169 HydrophobicContact CB-CE1 3.95Å; L145-F169 HydrophobicContact CB-CZ 4.5Å; L145-F169 PolarHBondContact O-N 2.99Å
146	E	88.4	Confident	79.7	Confident	119 Å²	119	42.6 Å²	42.6	56%	0.556	22%	0.218	S	C	*	.	S	Bend	trans	-88.4	-27.2	172.1	-67.7	-178.1	-176.7	0	0	112	N144 H168 F169 L170	N144-E146 PolarHBondContact O-N 3.35Å; E146-H168 WeakPolarHBondContact CA-O 3.16Å; E146-F169 CarbonylContact O-C 3.46Å; E146-F169 WeakPolarHBondContact O-CA 3.34Å; E146-L170 HydrophobicContact CB-CD1 4.2Å; E146-L170 HydrophobicContact CB-CG 4.17Å; E146-L170 PolarHBondContact O-N 3.11Å
147	T	85.8	Confident	79.8	Confident	57 Å²	57	49.4 Å²	49.4	35%	0.35	25%	0.249	S	C	.	.			trans	-152	170.5	178.1	-166.1	0	0	0	0	110.9
148	L	84.5	Confident	79.8	Confident	3 Å²	3	49.3 Å²	49.3	2%	0.016	26%	0.255	C	S	.	.			trans	-127	141.8	171.7	-68.9	175.9	0	0	0	109.2	I124 L140 L145 K150 L152 F153 L164 F169 W177 L178	I124-L148 HydrophobicContact CD1-CD2 3.6Å; L140-L148 HydrophobicContact CD1-CD2 4.19Å; L145-L148 HydrophobicContact CD1-CD2 3.75Å; L148-K150 PolarHBondContact O-N 3.35Å; L148-L152 HydrophobicContact CD2-CD2 4.07Å; L148-F153 HydrophobicContact CD1-CZ 4.25Å; L148-L164 HydrophobicContact CD1-CD1 4.01Å; L148-L164 HydrophobicContact CD1-CD2 4.2Å; L148-F169 HydrophobicContact CD1-CE1 4.29Å; L148-F169 HydrophobicContact CD1-CZ 4.28Å; L148-F169 HydrophobicContact CG-CE1 3.92Å; L148-F169 HydrophobicContact CG-CZ 4.36Å; L148-W177 HydrophobicContact CB-CZ2 3.61Å; L148-W177 HydrophobicContact CD1-CZ2 4.41Å; L148-W177 PolarHBondContact O-NE1 3.06Å; L148-L178 HydrophobicContact CD1-CD1 4.29Å; L148-L178 HydrophobicContact CD1-CD2 4.13Å
149	P	78.4	Confident	79.7	Confident	21 Å²	21	49.5 Å²	49.5	14%	0.136	26%	0.256	C	S	.	.			trans	-58.3	140.8	175.5	-18.3	27.5	0	0	0	111.5	I124 L152 W177	I124-P149 HydrophobicContact CB-CG 3.81Å; I124-P149 HydrophobicContact CG2-CG 3.24Å; P149-L152 WeakPolarHBondContact O-CB 3.22Å; P149-L152 PolarHBondContact O-N 3.36Å; P149-W177 VanDerWaalsContact O-CE2 3.29Å; P149-W177 WeakPolarHBondContact O-CZ2 3.24Å
150	K	78.3	Confident	79.8	Confident	76 Å²	76	53 Å²	53	33%	0.33	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	142.4	174.7	-171	170.8	-175.2	161.9	0	110.7	L148 L152 W177 S544 N545	L148-K150 PolarHBondContact O-N 3.35Å; K150-L152 PolarHBondContact O-N 3.43Å; K150-L152 VanDerWaalsContact O-N 3.16Å; K150-W177 HydrophobicContact CB-CG 4.42Å; K150-W177 HydrophobicContact CG-CB 4.23Å; K150-W177 HydrophobicContact CG-CG 4.18Å; K150-S544 PolarHBondContact NZ-O 2.89Å; K150-N545 PolarHBondContact NZ-OD1 2.91Å
151	D	74.1	Confident	79.9	Confident	68 Å²	68	56 Å²	56	36%	0.364	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.7	18.6	176.6	-68.7	-4.9	0	0	0	114.9	F153 K154	D151-F153 PolarHBondContact O-N 2.93Å; D151-K154 HydrophobicContact CB-CB 3.86Å; D151-K154 HydrophobicContact CB-CD 3.75Å; D151-K154 WeakPolarHBondContact O-CB 3.4Å; D151-K154 PolarHBondContact O-N 2.04Å; D151-K154 VanDerWaalsContact OD2-CD 3.3Å; D151-K154 WeakPolarHBondContact OD2-CD 3.47Å; D151-K154 IonicContact OD2-NZ 3.44Å; D151-K154 PolarHBondContact OD2-NZ 3Å
152	L	78.6	Confident	80.1	Confident	23 Å²	23	56 Å²	56	12%	0.12	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-32.4	178.6	179.6	64.8	0	0	0	113	L140 L148 P149 K150 W177	L140-L152 HydrophobicContact CD1-CD2 4.05Å; L148-L152 HydrophobicContact CD2-CD2 4.07Å; P149-L152 WeakPolarHBondContact O-CB 3.22Å; P149-L152 PolarHBondContact O-N 3.36Å; K150-L152 PolarHBondContact O-N 3.43Å; K150-L152 VanDerWaalsContact O-N 3.16Å; L152-W177 HydrophobicContact CB-CH2 3.85Å; L152-W177 HydrophobicContact CB-CZ2 4.15Å
153	F	80.1	Confident	80.4	Confident	6 Å²	6	51.5 Å²	51.5	3%	0.026	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	2.9	-179.9	-52.9	-37.3	0	0	0	114.1	L138 L148 D151 G155 L156 V162 W177 L178 W181	L138-F153 HydrophobicContact CD2-CD1 4.05Å; L138-F153 HydrophobicContact CD2-CE1 3.6Å; L148-F153 HydrophobicContact CD1-CZ 4.25Å; D151-F153 PolarHBondContact O-N 2.93Å; F153-G155 PolarHBondContact O-N 2.94Å; F153-L156 HydrophobicContact CD1-CD1 4.19Å; F153-L156 WeakPolarHBondContact O-CB 3.38Å; F153-L156 PolarHBondContact O-N 2.84Å; F153-V162 HydrophobicContact CZ-CG1 4.08Å; F153-W177 AromaticContact CD2-CH2 3.72Å; F153-W177 HydrophobicContact CD2-CH2 3.72Å; F153-W177 AromaticContact CD2-CZ3 3.72Å; F153-W177 HydrophobicContact CD2-CZ3 3.72Å; F153-W177 AromaticContact CE2-CH2 3.84Å; F153-W177 HydrophobicContact CE2-CH2 3.84Å; F153-W177 HydrophobicContact CE2-CZ3 4.22Å; F153-W177 HydrophobicContact CG-CH2 4.27Å; F153-W177 HydrophobicContact CG-CZ3 4.32Å; F153-W177 HydrophobicContact CZ-CH2 4.45Å; F153-L178 HydrophobicContact CD2-CD1 4.42Å; F153-L178 HydrophobicContact CE2-CD1 3.64Å; F153-W181 HydrophobicContact CB-CD2 4.43Å; F153-W181 HydrophobicContact CB-CZ2 4.3Å; F153-W181 AromaticContact CD2-CD2 3.55Å; F153-W181 HydrophobicContact CD2-CD2 3.55Å; F153-W181 AromaticContact CD2-CE2 3.69Å; F153-W181 AromaticContact CD2-CE3 3.68Å; F153-W181 HydrophobicContact CD2-CE3 3.68Å; F153-W181 HydrophobicContact CD2-CG 4.08Å; F153-W181 HydrophobicContact CD2-CH2 4.17Å; F153-W181 HydrophobicContact CD2-CZ2 4.02Å; F153-W181 AromaticContact CD2-CZ3 3.98Å; F153-W181 HydrophobicContact CD2-CZ3 3.98Å; F153-W181 HydrophobicContact CE2-CD2 4.28Å; F153-W181 AromaticContact CE2-CE3 3.94Å; F153-W181 HydrophobicContact CE2-CE3 3.94Å; F153-W181 HydrophobicContact CE2-CH2 4.46Å; F153-W181 HydrophobicContact CE2-CZ3 4.02Å; F153-W181 HydrophobicContact CG-CD2 4.41Å; F153-W181 HydrophobicContact CG-CZ2 4.35Å
154	K	71.5	Confident	81	Confident	133 Å²	133	51.4 Å²	51.4	58%	0.578	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	127.3	-179.6	-170.9	174.7	-172	171.9	0	110.3	D151	D151-K154 HydrophobicContact CB-CB 3.86Å; D151-K154 HydrophobicContact CB-CD 3.75Å; D151-K154 WeakPolarHBondContact O-CB 3.4Å; D151-K154 PolarHBondContact O-N 2.04Å; D151-K154 VanDerWaalsContact OD2-CD 3.3Å; D151-K154 WeakPolarHBondContact OD2-CD 3.47Å; D151-K154 IonicContact OD2-NZ 3.44Å; D151-K154 PolarHBondContact OD2-NZ 3Å
155	G	68.4	Low	81.4	Confident	43 Å²	43	51.5 Å²	51.5	44%	0.443	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.1	-2.4	-176.4	0	0	0	0	0	114.9	F153 E157	F153-G155 PolarHBondContact O-N 2.94Å; G155-E157 VanDerWaalsContact C-N 3.33Å; G155-E157 PolarHBondContact O-N 3.19Å
156	L	73.1	Confident	81.5	Confident	16 Å²	16	52.8 Å²	52.8	8%	0.084	28%	0.281	C	S	.	.			trans	-89.9	61.5	174.1	-55.2	-177.7	0	0	0	111.2	I131 L133 F135 F153 A158 L159	I131-L156 HydrophobicContact CG2-CD2 3.83Å; L133-L156 HydrophobicContact CB-CD2 3.93Å; L133-L156 WeakPolarHBondContact O-CD2 3.46Å; F135-L156 HydrophobicContact CD2-CD1 4.49Å; F135-L156 HydrophobicContact CD2-CD2 3.93Å; F153-L156 HydrophobicContact CD1-CD1 4.19Å; F153-L156 WeakPolarHBondContact O-CB 3.38Å; F153-L156 PolarHBondContact O-N 2.84Å; L156-A158 VanDerWaalsContact C-N 3.27Å; L156-A158 PolarHBondContact O-N 3.2Å; L156-L159 HydrophobicContact CB-CB 4.27Å; L156-L159 HydrophobicContact CB-CD1 3.69Å; L156-L159 HydrophobicContact CD1-CD1 3.53Å; L156-L159 HydrophobicContact CG-CD1 4.23Å; L156-L159 VanDerWaalsContact O-CB 3.24Å; L156-L159 WeakPolarHBondContact O-CB 3.43Å; L156-L159 PolarHBondContact O-N 3.22Å
157	E	73.7	Confident	81.6	Confident	191 Å²	191	47.7 Å²	47.7	89%	0.893	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-23.6	-173.1	-63.9	179.6	-177.2	0	0	114.1	G155 L159	G155-E157 VanDerWaalsContact C-N 3.33Å; G155-E157 PolarHBondContact O-N 3.19Å; E157-L159 PolarHBondContact O-N 3.15Å
158	A	75.9	Confident	81.9	Confident	43 Å²	43	49 Å²	49	36%	0.355	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	3.1	-178.6	0	0	0	0	0	113.8	F135 I136 L156 T160	F135-A158 CarbonylContact O-C 3.53Å; I136-A158 WeakPolarHBondContact CA-O 3.46Å; L156-A158 VanDerWaalsContact C-N 3.27Å; L156-A158 PolarHBondContact O-N 3.2Å; A158-T160 PolarHBondContact O-N 3.23Å
159	L	80.8	Confident	82.3	Confident	15 Å²	15	48.9 Å²	48.9	8%	0.079	26%	0.259	C	S	.	.			trans	-79.8	120.4	-165.5	-148.7	150.9	0	0	0	110.9	F135 L138 L156 E157 K161 V162 A187	F135-L159 HydrophobicContact CB-CD1 4.48Å; F135-L159 WeakPolarHBondContact O-CA 3.49Å; F135-L159 PolarHBondContact O-N 3.46Å; L138-L159 HydrophobicContact CB-CD1 4.19Å; L138-L159 HydrophobicContact CD2-CD1 4.49Å; L156-L159 HydrophobicContact CB-CB 4.27Å; L156-L159 HydrophobicContact CB-CD1 3.69Å; L156-L159 HydrophobicContact CD1-CD1 3.53Å; L156-L159 HydrophobicContact CG-CD1 4.23Å; L156-L159 VanDerWaalsContact O-CB 3.24Å; L156-L159 WeakPolarHBondContact O-CB 3.43Å; L156-L159 PolarHBondContact O-N 3.22Å; E157-L159 PolarHBondContact O-N 3.15Å; L159-K161 WeakPolarHBondContact CD2-O 3.38Å; L159-V162 HydrophobicContact CD2-CB 4.45Å; L159-V162 HydrophobicContact CD2-CG2 3.15Å; L159-V162 HydrophobicContact CG-CG2 4.46Å; L159-A187 HydrophobicContact CD2-CB 4.21Å; L159-A187 WeakPolarHBondContact O-CB 3.49Å
160	T	84.8	Confident	82.9	Confident	74 Å²	74	50.8 Å²	50.8	45%	0.454	27%	0.268	S	S	.	.			trans	-109.5	-23.8	-175.7	63.6	0	0	0	0	113.1	I136 A158 A187 T188	I136-T160 HydrophobicContact CG2-CG2 4Å; I136-T160 WeakPolarHBondContact CG2-OG1 3.27Å; I136-T160 PolarHBondContact O-N 3.29Å; I136-T160 PolarHBondContact O-OG1 3.16Å; A158-T160 PolarHBondContact O-N 3.23Å; T160-A187 CarbonylContact O-C 3.58Å; T160-A187 WeakPolarHBondContact O-CA 3.44Å; T160-T188 PolarHBondContact O-N 3.46Å; T160-T188 PolarHBondContact O-OG1 2.61Å
161	K	86.7	Confident	83.6	Confident	75 Å²	75	47.3 Å²	47.3	33%	0.326	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	133.3	177.5	-178.9	168.3	-177.1	170.8	0	112.8	I136 I137 L138 L159 T188 D190	I136-K161 PolarHBondContact O-N 3.19Å; I137-K161 WeakPolarHBondContact CA-O 3.33Å; I137-K161 HydrophobicContact CG1-CB 4.3Å; I137-K161 HydrophobicContact CG2-CB 4.27Å; I137-K161 HydrophobicContact CG2-CG 4.48Å; L138-K161 PolarHBondContact N-O 3.37Å; L159-K161 WeakPolarHBondContact CD2-O 3.38Å; K161-T188 WeakPolarHBondContact CA-O 3.25Å; K161-T188 WeakPolarHBondContact CB-OG1 3.28Å; K161-T188 WeakPolarHBondContact CG-OG1 3.26Å; K161-D190 VanDerWaalsContact CE-OD2 3.3Å; K161-D190 WeakPolarHBondContact CE-OD2 3.32Å; K161-D190 IonicContact NZ-OD2 3.53Å
162	V	89.3	Confident	84.3	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	125.8	169.2	-172.6	0	0	0	0	110.6	L138 F153 L159 L164 W181 T188 V189 D190	L138-V162 CarbonylContact O-C 3.51Å; L138-V162 VanDerWaalsContact O-CA 3.24Å; L138-V162 WeakPolarHBondContact O-CA 3.32Å; F153-V162 HydrophobicContact CZ-CG1 4.08Å; L159-V162 HydrophobicContact CD2-CB 4.45Å; L159-V162 HydrophobicContact CD2-CG2 3.15Å; L159-V162 HydrophobicContact CG-CG2 4.46Å; V162-L164 HydrophobicContact CG1-CD1 4.22Å; V162-L164 HydrophobicContact CG1-CD2 3.85Å; V162-L164 HydrophobicContact CG1-CG 3.67Å; V162-W181 HydrophobicContact CB-CH2 4.37Å; V162-W181 HydrophobicContact CG2-CH2 3.44Å; V162-W181 VanDerWaalsContact CG2-CH2 3.44Å; V162-W181 HydrophobicContact CG2-CZ2 4.32Å; V162-W181 HydrophobicContact CG2-CZ3 4.03Å; V162-T188 PolarHBondContact N-O 3.37Å; V162-V189 HydrophobicContact CB-CG2 4.41Å; V162-V189 WeakPolarHBondContact O-CA 3.18Å; V162-D190 PolarHBondContact O-N 3.45Å
163	D	88.6	Confident	84.8	Confident	14 Å²	14	46.4 Å²	46.4	8%	0.075	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	113.7	169.8	-168.3	-7.4	0	0	0	110.4	L138 S139 L140 A141 R165	L138-D163 PolarHBondContact O-N 2.86Å; S139-D163 WeakPolarHBondContact CA-O 3.34Å; L140-D163 PolarHBondContact N-O 3.47Å; A141-D163 HydrophobicContact CB-CB 4.44Å; A141-D163 PolarHBondContact N-O 3.33Å; D163-R165 WeakPolarHBondContact OD1-CB 3.36Å; D163-R165 WeakPolarHBondContact OD1-CG 3.09Å; D163-R165 IonicContact OD1-CZ 3.92Å; D163-R165 PolarHBondContact OD1-N 2.88Å; D163-R165 IonicContact OD1-NE 2.93Å; D163-R165 PolarHBondContact OD1-NE 3.4Å; D163-R165 IonicContact OD1-NH2 3.9Å; D163-R165 IonicContact OD2-CZ 3.57Å; D163-R165 IonicContact OD2-NE 2.72Å; D163-R165 PolarHBondContact OD2-NE 2.69Å; D163-R165 IonicContact OD2-NH2 2.82Å; D163-R165 PolarHBondContact OD2-NH2 3.19Å
164	L	91.1	Very high	85.1	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.275	C	S	.	.			trans	-118	12.8	177.9	-62.5	-178.6	0	0	0	112.5	L140 L148 V162 N167 F169 L178 I192	L140-L164 HydrophobicContact CB-CD2 3.82Å; L140-L164 HydrophobicContact CD1-CD2 4.11Å; L140-L164 HydrophobicContact CG-CD2 4.41Å; L148-L164 HydrophobicContact CD1-CD1 4.01Å; L148-L164 HydrophobicContact CD1-CD2 4.2Å; V162-L164 HydrophobicContact CG1-CD1 4.22Å; V162-L164 HydrophobicContact CG1-CD2 3.85Å; V162-L164 HydrophobicContact CG1-CG 3.67Å; L164-N167 PolarHBondContact O-ND2 2.98Å; L164-F169 HydrophobicContact CB-CE2 3.96Å; L164-F169 HydrophobicContact CB-CZ 4.2Å; L164-F169 HydrophobicContact CD1-CE2 4.4Å; L164-F169 HydrophobicContact CD1-CZ 4.28Å; L164-L178 HydrophobicContact CD1-CD1 4.01Å; L164-L178 HydrophobicContact CD1-CD2 4.01Å; L164-I192 HydrophobicContact CB-CD1 4.38Å; L164-I192 HydrophobicContact CB-CG2 3.85Å; L164-I192 HydrophobicContact CD1-CD1 4.17Å; L164-I192 WeakPolarHBondContact O-CG2 3.17Å
165	R	92.4	Very high	86	Confident	96 Å²	96	45.9 Å²	45.9	36%	0.362	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	156	-175.3	-69.5	179.5	-65.9	173.6	6.7	112.4	A141 Y142 D163 N167 D190 I192	A141-R165 CarbonylContact C-O 3.53Å; A141-R165 WeakPolarHBondContact CA-O 3.46Å; A141-R165 WeakPolarHBondContact CB-O 3.1Å; Y142-R165 PolarHBondContact N-O 3.39Å; D163-R165 WeakPolarHBondContact OD1-CB 3.36Å; D163-R165 WeakPolarHBondContact OD1-CG 3.09Å; D163-R165 IonicContact OD1-CZ 3.92Å; D163-R165 PolarHBondContact OD1-N 2.88Å; D163-R165 IonicContact OD1-NE 2.93Å; D163-R165 PolarHBondContact OD1-NE 3.4Å; D163-R165 IonicContact OD1-NH2 3.9Å; D163-R165 IonicContact OD2-CZ 3.57Å; D163-R165 IonicContact OD2-NE 2.72Å; D163-R165 PolarHBondContact OD2-NE 2.69Å; D163-R165 IonicContact OD2-NH2 2.82Å; D163-R165 PolarHBondContact OD2-NH2 3.19Å; R165-N167 VanDerWaalsContact C-N 3.26Å; R165-N167 PolarHBondContact O-N 3.2Å; R165-D190 HydrophobicContact CG-CB 3.75Å; R165-D190 IonicContact NE-OD2 3.23Å; R165-I192 HydrophobicContact CG-CG2 4.43Å
166	G	87.8	Confident	87.1	Confident	35 Å²	35	45.9 Å²	45.9	36%	0.361	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.4	15.3	175.7	0	0	0	0	0	115.2
167	N	89.9	Confident	87.9	Confident	13 Å²	13	45.8 Å²	45.8	7%	0.07	23%	0.234	C	C	.	.			trans	-95.5	164.6	170.6	-71	-59.8	0	0	0	111.3	L140 N143 N144 L145 L164 R165 F169	L140-N167 PolarHBondContact O-ND2 3.08Å; N143-N167 WeakPolarHBondContact CA-OD1 3.49Å; N143-N167 WeakPolarHBondContact CB-OD1 3.47Å; N143-N167 PolarHBondContact N-OD1 3.44Å; N143-N167 VanDerWaalsContact N-OD1 3.08Å; N144-N167 PolarHBondContact N-OD1 3.43Å; N144-N167 VanDerWaalsContact N-OD1 3.16Å; L145-N167 HydrophobicContact CB-CB 4.13Å; L145-N167 WeakPolarHBondContact CB-OD1 3.3Å; L145-N167 WeakPolarHBondContact CG-OD1 3.4Å; L145-N167 PolarHBondContact N-OD1 2.64Å; L164-N167 PolarHBondContact O-ND2 2.98Å; R165-N167 VanDerWaalsContact C-N 3.26Å; R165-N167 PolarHBondContact O-N 3.2Å; N167-F169 HydrophobicContact CB-CD2 4.02Å; N167-F169 HydrophobicContact CB-CE1 4.16Å; N167-F169 HydrophobicContact CB-CE2 3.59Å; N167-F169 HydrophobicContact CB-CG 4.49Å; N167-F169 HydrophobicContact CB-CZ 3.66Å
168	H	92	Very high	88.7	Confident	83 Å²	83	36.7 Å²	36.7	38%	0.384	19%	0.191	S	C	.	.			trans	-110	51.1	-174	-66	92.2	0	0	0	111.9	N144 L145 E146 L170 K195	N144-H168 PolarHBondContact OD1-CE1 3.41Å; N144-H168 PolarHBondContact OD1-ND1 3.33Å; L145-H168 CarbonylContact O-C 3.54Å; L145-H168 WeakPolarHBondContact O-CA 3.47Å; L145-H168 PolarHBondContact O-N 2.97Å; E146-H168 WeakPolarHBondContact CA-O 3.16Å; H168-L170 PolarHBondContact O-N 3.03Å; H168-K195 HydrophobicContact CB-CB 4.3Å; H168-K195 HydrophobicContact CB-CG 4.25Å
169	F	92.9	Very high	89.5	Confident	1 Å²	1	34.8 Å²	34.8	0%	0.004	18%	0.175	C	C	.	.			trans	-60.6	128	-169.7	-69.9	-55.6	0	0	0	113.9	L145 E146 L148 L164 N167 L175 I192 K195 I205	L145-F169 HydrophobicContact CB-CE1 3.95Å; L145-F169 HydrophobicContact CB-CZ 4.5Å; L145-F169 PolarHBondContact O-N 2.99Å; E146-F169 CarbonylContact O-C 3.46Å; E146-F169 WeakPolarHBondContact O-CA 3.34Å; L148-F169 HydrophobicContact CD1-CE1 4.29Å; L148-F169 HydrophobicContact CD1-CZ 4.28Å; L148-F169 HydrophobicContact CG-CE1 3.92Å; L148-F169 HydrophobicContact CG-CZ 4.36Å; L164-F169 HydrophobicContact CB-CE2 3.96Å; L164-F169 HydrophobicContact CB-CZ 4.2Å; L164-F169 HydrophobicContact CD1-CE2 4.4Å; L164-F169 HydrophobicContact CD1-CZ 4.28Å; N167-F169 HydrophobicContact CB-CD2 4.02Å; N167-F169 HydrophobicContact CB-CE1 4.16Å; N167-F169 HydrophobicContact CB-CE2 3.59Å; N167-F169 HydrophobicContact CB-CG 4.49Å; N167-F169 HydrophobicContact CB-CZ 3.66Å; F169-L175 HydrophobicContact CB-CD2 3.71Å; F169-L175 HydrophobicContact CD1-CD1 3.89Å; F169-L175 HydrophobicContact CD1-CD2 4.36Å; F169-L175 HydrophobicContact CE1-CD1 4.43Å; F169-L175 HydrophobicContact CG-CD1 4.46Å; F169-L175 HydrophobicContact CG-CD2 4.12Å; F169-I192 HydrophobicContact CE2-CD1 4.35Å; F169-K195 PolarHBondContact O-N 3.44Å; F169-I205 HydrophobicContact CB-CD1 3.77Å; F169-I205 HydrophobicContact CD2-CD1 3.76Å; F169-I205 HydrophobicContact CG-CD1 4.11Å
170	L	91.7	Very high	90	Very high	61 Å²	61	38.5 Å²	38.5	32%	0.319	19%	0.192	S	C	.	.	B	Isolated β-bridge	trans	-84.8	107.6	166.1	-59.9	179.1	0	0	0	107.7	E146 H168 D172 L175 G196	E146-L170 HydrophobicContact CB-CD1 4.2Å; E146-L170 HydrophobicContact CB-CG 4.17Å; E146-L170 PolarHBondContact O-N 3.11Å; H168-L170 PolarHBondContact O-N 3.03Å; L170-D172 PolarHBondContact O-N 3.26Å; L170-L175 WeakPolarHBondContact O-CB 3.4Å; L170-G196 CarbonylContact C-O 3.59Å; L170-G196 WeakPolarHBondContact CA-O 2.99Å
171	C	91.4	Very high	90.3	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.02	18%	0.18	C	C	.	.			trans	-79.2	60	179	-64.6	0	0	0	0	110.9	C194 G196 Q200 I205 L208 F213	C171-C194 HydrophobicContact CB-CB 3.82Å; C171-C194 WeakPolarHBondContact CB-SG 3.29Å; C171-C194 VanDerWaalsContact SG-CA 3.52Å; C171-C194 WeakPolarHBondContact SG-CB 3.13Å; C171-C194 CovalentContact SG-SG 2.02Å; C171-C194 PolarHBondContact SG-SG 3.35Å; C171-G196 PolarHBondContact N-O 3.23Å; C171-Q200 HydrophobicContact CB-CB 4Å; C171-Q200 HydrophobicContact CB-CG 4.31Å; C171-I205 VanDerWaalsContact SG-CG1 3.57Å; C171-L208 HydrophobicContact CB-CD1 4.35Å; C171-F213 HydrophobicContact CB-CE1 4.45Å; C171-F213 HydrophobicContact CB-CZ 4.48Å; C171-F213 WeakPolarHBondContact O-CE1 3.36Å
172	D	88.9	Confident	90.5	Very high	55 Å²	55	35 Å²	35	29%	0.294	17%	0.17	S	C	.	.	S	Bend	trans	-101	-169.6	170.7	70.3	13.6	0	0	0	110.8	L170 K174 L175 K176 F213	L170-D172 PolarHBondContact O-N 3.26Å; D172-K174 PolarHBondContact O-N 3.37Å; D172-K174 VanDerWaalsContact OD1-CB 3.31Å; D172-K174 WeakPolarHBondContact OD1-CB 3.47Å; D172-K174 PolarHBondContact OD1-N 2.88Å; D172-L175 PolarHBondContact O-N 2.96Å; D172-L175 VanDerWaalsContact O-N 3.1Å; D172-K176 PolarHBondContact O-N 3.09Å; D172-F213 WeakPolarHBondContact O-CD1 3.3Å; D172-F213 VanDerWaalsContact O-CE1 3.24Å; D172-F213 WeakPolarHBondContact O-CE1 3.38Å
173	C	89.1	Confident	90.5	Very high	17 Å²	17	43.4 Å²	43.4	12%	0.115	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-64.1	-25.7	-178	-72.2	0	0	0	0	115.1	L175 K176 C215 L543	C173-L175 PolarHBondContact O-N 3.13Å; C173-K176 VanDerWaalsContact O-CB 3.29Å; C173-K176 WeakPolarHBondContact O-CB 3.43Å; C173-K176 PolarHBondContact O-N 2.81Å; C173-C215 WeakPolarHBondContact CA-SG 3.49Å; C173-C215 HydrophobicContact CB-CB 3.64Å; C173-C215 WeakPolarHBondContact CB-SG 2.92Å; C173-C215 WeakPolarHBondContact SG-CA 3.35Å; C173-C215 WeakPolarHBondContact SG-CB 2.9Å; C173-C215 CovalentContact SG-SG 2.04Å; C173-C215 PolarHBondContact SG-SG 2.85Å; C173-L543 HydrophobicContact CB-CB 3.67Å; C173-L543 WeakPolarHBondContact CB-O 3.46Å
174	K	87.7	Confident	90.5	Very high	129 Å²	129	45.8 Å²	45.8	56%	0.561	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-69.5	-24.2	176.2	-60.5	178.2	178.4	176.6	0	111.5	D172 W177	D172-K174 PolarHBondContact O-N 3.37Å; D172-K174 VanDerWaalsContact OD1-CB 3.31Å; D172-K174 WeakPolarHBondContact OD1-CB 3.47Å; D172-K174 PolarHBondContact OD1-N 2.88Å; K174-W177 PolarHBondContact O-NE1 3.4Å
175	L	90.6	Very high	90.3	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-94.6	-4.4	177.2	-153.5	75.1	0	0	0	113.4	F169 L170 D172 C173 W177 L178 V179 I205	F169-L175 HydrophobicContact CB-CD2 3.71Å; F169-L175 HydrophobicContact CD1-CD1 3.89Å; F169-L175 HydrophobicContact CD1-CD2 4.36Å; F169-L175 HydrophobicContact CE1-CD1 4.43Å; F169-L175 HydrophobicContact CG-CD1 4.46Å; F169-L175 HydrophobicContact CG-CD2 4.12Å; L170-L175 WeakPolarHBondContact O-CB 3.4Å; D172-L175 PolarHBondContact O-N 2.96Å; D172-L175 VanDerWaalsContact O-N 3.1Å; C173-L175 PolarHBondContact O-N 3.13Å; L175-W177 VanDerWaalsContact C-N 3.25Å; L175-W177 PolarHBondContact O-N 3.43Å; L175-L178 HydrophobicContact CD1-CB 4.34Å; L175-L178 HydrophobicContact CD1-CD2 3.88Å; L175-L178 HydrophobicContact CD2-CD2 4.45Å; L175-L178 HydrophobicContact CG-CB 4.22Å; L175-L178 HydrophobicContact CG-CD2 4.09Å; L175-L178 WeakPolarHBondContact O-CB 3.01Å; L175-L178 PolarHBondContact O-N 3Å; L175-V179 PolarHBondContact O-N 3.4Å; L175-I205 HydrophobicContact CD2-CD1 4.15Å
176	K	90.3	Very high	90	Very high	42 Å²	42	51 Å²	51	18%	0.183	27%	0.267	C	S	.	.	H	α-helix	trans	-54.4	-41.4	-179.3	-178.2	-177.7	173.7	-170.9	0	112.3	D172 C173 L178 V179 E180 F213	D172-K176 PolarHBondContact O-N 3.09Å; C173-K176 VanDerWaalsContact O-CB 3.29Å; C173-K176 WeakPolarHBondContact O-CB 3.43Å; C173-K176 PolarHBondContact O-N 2.81Å; K176-L178 PolarHBondContact O-N 2.84Å; K176-V179 WeakPolarHBondContact O-CB 3.29Å; K176-V179 PolarHBondContact O-N 2.75Å; K176-V179 VanDerWaalsContact O-N 3.11Å; K176-E180 WeakPolarHBondContact CE-OE1 3.5Å; K176-E180 IonicContact NZ-OE1 2.78Å; K176-E180 PolarHBondContact O-N 2.8Å; K176-F213 HydrophobicContact CB-CB 4.38Å; K176-F213 HydrophobicContact CB-CD1 4.2Å; K176-F213 HydrophobicContact CB-CG 4.2Å; K176-F213 HydrophobicContact CD-CB 3.91Å; K176-F213 HydrophobicContact CG-CB 4.02Å; K176-F213 HydrophobicContact CG-CD2 4.41Å; K176-F213 HydrophobicContact CG-CG 4.12Å
177	W	90.4	Very high	90	Very high	15 Å²	15	49.8 Å²	49.8	6%	0.057	25%	0.254	C	S	.	.	H	α-helix	trans	-59.6	-34.2	179.7	80	-95.5	0	0	0	112.4	L148 P149 K150 L152 F153 K174 L175 E180 W181	L148-W177 HydrophobicContact CB-CZ2 3.61Å; L148-W177 HydrophobicContact CD1-CZ2 4.41Å; L148-W177 PolarHBondContact O-NE1 3.06Å; P149-W177 VanDerWaalsContact O-CE2 3.29Å; P149-W177 WeakPolarHBondContact O-CZ2 3.24Å; K150-W177 HydrophobicContact CB-CG 4.42Å; K150-W177 HydrophobicContact CG-CB 4.23Å; K150-W177 HydrophobicContact CG-CG 4.18Å; L152-W177 HydrophobicContact CB-CH2 3.85Å; L152-W177 HydrophobicContact CB-CZ2 4.15Å; F153-W177 AromaticContact CD2-CH2 3.72Å; F153-W177 HydrophobicContact CD2-CH2 3.72Å; F153-W177 AromaticContact CD2-CZ3 3.72Å; F153-W177 HydrophobicContact CD2-CZ3 3.72Å; F153-W177 AromaticContact CE2-CH2 3.84Å; F153-W177 HydrophobicContact CE2-CH2 3.84Å; F153-W177 HydrophobicContact CE2-CZ3 4.22Å; F153-W177 HydrophobicContact CG-CH2 4.27Å; F153-W177 HydrophobicContact CG-CZ3 4.32Å; F153-W177 HydrophobicContact CZ-CH2 4.45Å; K174-W177 PolarHBondContact O-NE1 3.4Å; L175-W177 VanDerWaalsContact C-N 3.25Å; L175-W177 PolarHBondContact O-N 3.43Å; W177-E180 PolarHBondContact O-N 2.82Å; W177-W181 HydrophobicContact CE3-CB 4.34Å; W177-W181 HydrophobicContact CZ3-CB 4.32Å; W177-W181 WeakPolarHBondContact O-CB 3.38Å; W177-W181 PolarHBondContact O-N 3.31Å
178	L	91.4	Very high	89.9	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-69	-40.2	179.1	177.2	65	0	0	0	110.1	L148 F153 L164 L175 K176 W181 I182 I192	L148-L178 HydrophobicContact CD1-CD1 4.29Å; L148-L178 HydrophobicContact CD1-CD2 4.13Å; F153-L178 HydrophobicContact CD2-CD1 4.42Å; F153-L178 HydrophobicContact CE2-CD1 3.64Å; L164-L178 HydrophobicContact CD1-CD1 4.01Å; L164-L178 HydrophobicContact CD1-CD2 4.01Å; L175-L178 HydrophobicContact CD1-CB 4.34Å; L175-L178 HydrophobicContact CD1-CD2 3.88Å; L175-L178 HydrophobicContact CD2-CD2 4.45Å; L175-L178 HydrophobicContact CG-CB 4.22Å; L175-L178 HydrophobicContact CG-CD2 4.09Å; L175-L178 WeakPolarHBondContact O-CB 3.01Å; L175-L178 PolarHBondContact O-N 3Å; K176-L178 PolarHBondContact O-N 2.84Å; L178-W181 HydrophobicContact CD1-CE3 4.37Å; L178-W181 PolarHBondContact O-N 3.35Å; L178-I182 HydrophobicContact CD1-CD1 4.23Å; L178-I182 HydrophobicContact CD1-CG1 4.39Å; L178-I182 HydrophobicContact CG-CD1 3.96Å; L178-I182 HydrophobicContact CG-CG1 4.5Å; L178-I182 VanDerWaalsContact O-CG1 3.22Å; L178-I182 WeakPolarHBondContact O-CG1 3.39Å; L178-I182 PolarHBondContact O-N 3.16Å; L178-I192 HydrophobicContact CD2-CD1 4.48Å
179	V	91.8	Very high	89.8	Confident	2 Å²	2	50.7 Å²	50.7	1%	0.012	27%	0.266	C	S	.	.	H	α-helix	trans	-64.5	-42.8	175.2	-179	0	0	0	0	110.6	L175 K176 W181 I182 Y183 I205 L208 P210 F213	L175-V179 PolarHBondContact O-N 3.4Å; K176-V179 WeakPolarHBondContact O-CB 3.29Å; K176-V179 PolarHBondContact O-N 2.75Å; K176-V179 VanDerWaalsContact O-N 3.11Å; V179-W181 VanDerWaalsContact C-N 3.33Å; V179-W181 PolarHBondContact O-N 2.95Å; V179-I182 PolarHBondContact O-N 3.08Å; V179-Y183 WeakPolarHBondContact O-CB 3.43Å; V179-Y183 PolarHBondContact O-N 3.4Å; V179-I205 HydrophobicContact CG2-CG2 3.92Å; V179-L208 HydrophobicContact CG1-CB 3.94Å; V179-L208 WeakPolarHBondContact CG1-O 3.03Å; V179-L208 HydrophobicContact CG2-CB 4.38Å; V179-L208 HydrophobicContact CG2-CD1 4.49Å; V179-P210 HydrophobicContact CG1-CG 4.13Å; V179-F213 HydrophobicContact CB-CE2 4.21Å; V179-F213 HydrophobicContact CG1-CE2 4.21Å; V179-F213 HydrophobicContact CG2-CE2 3.8Å; V179-F213 HydrophobicContact CG2-CZ 3.78Å
180	E	90.8	Very high	89.6	Confident	93 Å²	93	52.6 Å²	52.6	44%	0.435	28%	0.276	S	S	.	.	H	α-helix	trans	-59.4	-44	173.6	-71.8	173.8	167.7	0	0	111.9	K176 W177 Y183 G184 P210	K176-E180 WeakPolarHBondContact CE-OE1 3.5Å; K176-E180 IonicContact NZ-OE1 2.78Å; K176-E180 PolarHBondContact O-N 2.8Å; W177-E180 PolarHBondContact O-N 2.82Å; E180-Y183 PolarHBondContact O-N 3.45Å; E180-G184 PolarHBondContact O-N 3.32Å; E180-P210 HydrophobicContact CB-CG 4.4Å; E180-P210 HydrophobicContact CG-CB 3.56Å; E180-P210 HydrophobicContact CG-CG 3.7Å
181	W	90.9	Very high	89.5	Confident	52 Å²	52	55 Å²	55	20%	0.197	29%	0.286	C	S	.	.	H	α-helix	trans	-65.4	-44.7	177.2	-178.5	86.2	0	0	0	112.1	F153 V162 W177 L178 V179 Y183 G184 T185 A187 V189	F153-W181 HydrophobicContact CB-CD2 4.43Å; F153-W181 HydrophobicContact CB-CZ2 4.3Å; F153-W181 AromaticContact CD2-CD2 3.55Å; F153-W181 HydrophobicContact CD2-CD2 3.55Å; F153-W181 AromaticContact CD2-CE2 3.69Å; F153-W181 AromaticContact CD2-CE3 3.68Å; F153-W181 HydrophobicContact CD2-CE3 3.68Å; F153-W181 HydrophobicContact CD2-CG 4.08Å; F153-W181 HydrophobicContact CD2-CH2 4.17Å; F153-W181 HydrophobicContact CD2-CZ2 4.02Å; F153-W181 AromaticContact CD2-CZ3 3.98Å; F153-W181 HydrophobicContact CD2-CZ3 3.98Å; F153-W181 HydrophobicContact CE2-CD2 4.28Å; F153-W181 AromaticContact CE2-CE3 3.94Å; F153-W181 HydrophobicContact CE2-CE3 3.94Å; F153-W181 HydrophobicContact CE2-CH2 4.46Å; F153-W181 HydrophobicContact CE2-CZ3 4.02Å; F153-W181 HydrophobicContact CG-CD2 4.41Å; F153-W181 HydrophobicContact CG-CZ2 4.35Å; V162-W181 HydrophobicContact CB-CH2 4.37Å; V162-W181 HydrophobicContact CG2-CH2 3.44Å; V162-W181 VanDerWaalsContact CG2-CH2 3.44Å; V162-W181 HydrophobicContact CG2-CZ2 4.32Å; V162-W181 HydrophobicContact CG2-CZ3 4.03Å; W177-W181 HydrophobicContact CE3-CB 4.34Å; W177-W181 HydrophobicContact CZ3-CB 4.32Å; W177-W181 WeakPolarHBondContact O-CB 3.38Å; W177-W181 PolarHBondContact O-N 3.31Å; L178-W181 HydrophobicContact CD1-CE3 4.37Å; L178-W181 PolarHBondContact O-N 3.35Å; V179-W181 VanDerWaalsContact C-N 3.33Å; V179-W181 PolarHBondContact O-N 2.95Å; W181-Y183 VanDerWaalsContact C-N 3.26Å; W181-Y183 PolarHBondContact O-N 2.86Å; W181-G184 PolarHBondContact O-N 3.07Å; W181-T185 HydrophobicContact CD2-CG2 4.29Å; W181-T185 HydrophobicContact CE3-CG2 4.06Å; W181-T185 HydrophobicContact CH2-CG2 3.84Å; W181-T185 HydrophobicContact CZ2-CG2 4.12Å; W181-T185 VanDerWaalsContact CZ2-OG1 3.31Å; W181-T185 WeakPolarHBondContact CZ2-OG1 3.35Å; W181-T185 HydrophobicContact CZ3-CG2 3.84Å; W181-T185 WeakPolarHBondContact O-CB 3.49Å; W181-T185 VanDerWaalsContact O-CG2 3.31Å; W181-T185 WeakPolarHBondContact O-CG2 3.43Å; W181-T185 PolarHBondContact O-N 2.76Å; W181-A187 HydrophobicContact CH2-CB 3.93Å; W181-A187 HydrophobicContact CZ2-CB 4.29Å; W181-V189 HydrophobicContact CH2-CG2 4.13Å; W181-V189 HydrophobicContact CZ3-CG2 3.64Å
182	I	91.6	Very high	89.6	Confident	24 Å²	24	55.1 Å²	55.1	12%	0.123	29%	0.286	C	S	.	.	H	α-helix	trans	-60.9	-37.6	176.6	-68.8	167.4	0	0	0	110.9	L178 V179 G184 V189 I192 I205	L178-I182 HydrophobicContact CD1-CD1 4.23Å; L178-I182 HydrophobicContact CD1-CG1 4.39Å; L178-I182 HydrophobicContact CG-CD1 3.96Å; L178-I182 HydrophobicContact CG-CG1 4.5Å; L178-I182 VanDerWaalsContact O-CG1 3.22Å; L178-I182 WeakPolarHBondContact O-CG1 3.39Å; L178-I182 PolarHBondContact O-N 3.16Å; V179-I182 PolarHBondContact O-N 3.08Å; I182-G184 VanDerWaalsContact C-N 3.35Å; I182-G184 PolarHBondContact O-N 3.45Å; I182-V189 HydrophobicContact CD1-CG1 4.33Å; I182-V189 HydrophobicContact CG1-CG1 4.4Å; I182-V189 HydrophobicContact CG1-CG2 4.31Å; I182-I192 HydrophobicContact CD1-CD1 4.04Å; I182-I205 HydrophobicContact CD1-CG2 4Å
183	Y	89.1	Confident	89.9	Confident	177 Å²	177	57.4 Å²	57.4	69%	0.694	29%	0.291	S	S	*	.	H	α-helix	trans	-67.4	-34	179.5	-168.5	-93.3	0	0	0	112.9	V179 E180 W181	V179-Y183 WeakPolarHBondContact O-CB 3.43Å; V179-Y183 PolarHBondContact O-N 3.4Å; E180-Y183 PolarHBondContact O-N 3.45Å; W181-Y183 VanDerWaalsContact C-N 3.26Å; W181-Y183 PolarHBondContact O-N 2.86Å
184	G	87.8	Confident	90.1	Very high	64 Å²	64	56.6 Å²	56.6	66%	0.66	29%	0.286	S	S	*	.	H	α-helix	trans	-101.5	-8.1	-176.3	0	0	0	0	0	116	E180 W181 I182	E180-G184 PolarHBondContact O-N 3.32Å; W181-G184 PolarHBondContact O-N 3.07Å; I182-G184 VanDerWaalsContact C-N 3.35Å; I182-G184 PolarHBondContact O-N 3.45Å
185	T	87.6	Confident	90.4	Very high	36 Å²	36	55.2 Å²	55.2	22%	0.221	28%	0.28	C	S	.	.			trans	-85.6	148.4	-174.7	-168.4	0	0	0	0	112.7	W181 A187 V189	W181-T185 HydrophobicContact CD2-CG2 4.29Å; W181-T185 HydrophobicContact CE3-CG2 4.06Å; W181-T185 HydrophobicContact CH2-CG2 3.84Å; W181-T185 HydrophobicContact CZ2-CG2 4.12Å; W181-T185 VanDerWaalsContact CZ2-OG1 3.31Å; W181-T185 WeakPolarHBondContact CZ2-OG1 3.35Å; W181-T185 HydrophobicContact CZ3-CG2 3.84Å; W181-T185 WeakPolarHBondContact O-CB 3.49Å; W181-T185 VanDerWaalsContact O-CG2 3.31Å; W181-T185 WeakPolarHBondContact O-CG2 3.43Å; W181-T185 PolarHBondContact O-N 2.76Å; T185-A187 VanDerWaalsContact C-N 3.35Å; T185-A187 HydrophobicContact CG2-CB 4.26Å; T185-A187 WeakPolarHBondContact OG1-CB 3.42Å; T185-A187 PolarHBondContact OG1-N 3.41Å; T185-A187 VanDerWaalsContact OG1-N 3.13Å; T185-V189 HydrophobicContact CG2-CG2 4.36Å
186	N	86.5	Confident	90.3	Very high	169 Å²	169	55.5 Å²	55.5	90%	0.904	28%	0.283	S	S	*	.			trans	-89.9	-4.2	168.3	-66.2	-34.2	0	0	0	112.4
187	A	87	Confident	90.1	Very high	10 Å²	10	56.4 Å²	56.4	8%	0.083	29%	0.293	C	S	.	.	S	Bend	trans	-71.2	141.4	178.7	0	0	0	0	0	111	L159 T160 W181 T185 V189	L159-A187 HydrophobicContact CD2-CB 4.21Å; L159-A187 WeakPolarHBondContact O-CB 3.49Å; T160-A187 CarbonylContact O-C 3.58Å; T160-A187 WeakPolarHBondContact O-CA 3.44Å; W181-A187 HydrophobicContact CH2-CB 3.93Å; W181-A187 HydrophobicContact CZ2-CB 4.29Å; T185-A187 VanDerWaalsContact C-N 3.35Å; T185-A187 HydrophobicContact CG2-CB 4.26Å; T185-A187 WeakPolarHBondContact OG1-CB 3.42Å; T185-A187 PolarHBondContact OG1-N 3.41Å; T185-A187 VanDerWaalsContact OG1-N 3.13Å; A187-V189 PolarHBondContact O-N 2.92Å
188	T	88.7	Confident	89.8	Confident	89 Å²	89	60.2 Å²	60.2	55%	0.546	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	120.3	170.6	60.2	0	0	0	0	109.5	T160 K161 V162	T160-T188 PolarHBondContact O-N 3.46Å; T160-T188 PolarHBondContact O-OG1 2.61Å; K161-T188 WeakPolarHBondContact CA-O 3.25Å; K161-T188 WeakPolarHBondContact CB-OG1 3.28Å; K161-T188 WeakPolarHBondContact CG-OG1 3.26Å; V162-T188 PolarHBondContact N-O 3.37Å
189	V	90.2	Very high	89.4	Confident	25 Å²	25	64.3 Å²	64.3	15%	0.152	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	123.3	175.5	-172.1	0	0	0	0	108.4	V162 W181 I182 T185 A187 N206	V162-V189 HydrophobicContact CB-CG2 4.41Å; V162-V189 WeakPolarHBondContact O-CA 3.18Å; W181-V189 HydrophobicContact CH2-CG2 4.13Å; W181-V189 HydrophobicContact CZ3-CG2 3.64Å; I182-V189 HydrophobicContact CD1-CG1 4.33Å; I182-V189 HydrophobicContact CG1-CG1 4.4Å; I182-V189 HydrophobicContact CG1-CG2 4.31Å; T185-V189 HydrophobicContact CG2-CG2 4.36Å; A187-V189 PolarHBondContact O-N 2.92Å; V189-N206 PolarHBondContact O-ND2 3.49Å
190	D	87.9	Confident	89.1	Confident	41 Å²	41	65.4 Å²	65.4	22%	0.219	36%	0.361	C	S	.	.			trans	-63.3	158.5	177	-78.6	-60.7	0	0	0	111.6	K161 V162 R165 I192 N206	K161-D190 VanDerWaalsContact CE-OD2 3.3Å; K161-D190 WeakPolarHBondContact CE-OD2 3.32Å; K161-D190 IonicContact NZ-OD2 3.53Å; V162-D190 PolarHBondContact O-N 3.45Å; R165-D190 HydrophobicContact CG-CB 3.75Å; R165-D190 IonicContact NE-OD2 3.23Å; D190-I192 PolarHBondContact O-N 3.12Å; D190-N206 PolarHBondContact O-ND2 3Å
191	Q	90.1	Very high	89.2	Confident	112 Å²	112	65.1 Å²	65.1	52%	0.523	36%	0.362	S	S	.	.			trans	-66.5	122.7	-176.3	-61.2	-173.4	-12.6	0	0	111.7	Y193 K204	Q191-Y193 HydrophobicContact CB-CE2 4.26Å; Q191-Y193 PolarHBondContact OE1-OH 2.76Å; Q191-K204 HydrophobicContact CB-CD 4.46Å; Q191-K204 HydrophobicContact CG-CD 4.4Å
192	I	93.8	Very high	89.2	Confident	5 Å²	5	67 Å²	67	3%	0.026	38%	0.376	C	S	.	.			trans	-127.4	149.7	-179.3	42.7	161.2	0	0	0	111.2	L164 R165 F169 L178 I182 D190 K204 I205 N206	L164-I192 HydrophobicContact CB-CD1 4.38Å; L164-I192 HydrophobicContact CB-CG2 3.85Å; L164-I192 HydrophobicContact CD1-CD1 4.17Å; L164-I192 WeakPolarHBondContact O-CG2 3.17Å; R165-I192 HydrophobicContact CG-CG2 4.43Å; F169-I192 HydrophobicContact CE2-CD1 4.35Å; L178-I192 HydrophobicContact CD2-CD1 4.48Å; I182-I192 HydrophobicContact CD1-CD1 4.04Å; D190-I192 PolarHBondContact O-N 3.12Å; I192-K204 CarbonylContact O-C 3.53Å; I192-K204 WeakPolarHBondContact O-CA 3.44Å; I192-I205 HydrophobicContact CB-CD1 4.27Å; I192-I205 HydrophobicContact CD1-CB 3.9Å; I192-I205 HydrophobicContact CD1-CD1 3.91Å; I192-I205 HydrophobicContact CD1-CG1 4.47Å; I192-I205 HydrophobicContact CD1-CG2 3.88Å; I192-I205 HydrophobicContact CG1-CB 3.93Å; I192-I205 HydrophobicContact CG1-CD1 4.24Å; I192-I205 HydrophobicContact CG1-CG2 4.42Å; I192-I205 PolarHBondContact O-N 3.37Å; I192-N206 PolarHBondContact N-OD1 3.48Å; I192-N206 VanDerWaalsContact N-OD1 3.12Å
193	Y	93.9	Very high	89.2	Confident	104 Å²	104	70.3 Å²	70.3	41%	0.408	39%	0.389	S	S	.	.	B	Isolated β-bridge	trans	-128.8	145.6	-169.7	-59.6	-92.8	0	0	0	111	Q191 K203 K204	Q191-Y193 HydrophobicContact CB-CE2 4.26Å; Q191-Y193 PolarHBondContact OE1-OH 2.76Å; Y193-K203 WeakPolarHBondContact CA-O 3.42Å; Y193-K204 HydrophobicContact CD1-CB 4.19Å; Y193-K204 HydrophobicContact CE1-CB 4.04Å; Y193-K204 HydrophobicContact CE1-CD 4.37Å; Y193-K204 HydrophobicContact CE1-CG 4.5Å
194	C	94.1	Very high	89.4	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	37%	0.366	C	S	.	.			trans	-72.6	138.4	174.4	-59.5	0	0	0	0	111.4	C171 Q200 D202 K203 I205	C171-C194 HydrophobicContact CB-CB 3.82Å; C171-C194 WeakPolarHBondContact CB-SG 3.29Å; C171-C194 VanDerWaalsContact SG-CA 3.52Å; C171-C194 WeakPolarHBondContact SG-CB 3.13Å; C171-C194 CovalentContact SG-SG 2.02Å; C171-C194 PolarHBondContact SG-SG 3.35Å; C194-Q200 HydrophobicContact CB-CB 4.34Å; C194-Q200 WeakPolarHBondContact CB-O 3.38Å; C194-D202 WeakPolarHBondContact O-CA 3.33Å; C194-D202 PolarHBondContact O-N 2.78Å; C194-K203 PolarHBondContact N-O 3.24Å; C194-K203 PolarHBondContact SG-O 3.41Å; C194-I205 VanDerWaalsContact SG-CG1 3.58Å
195	K	94.4	Very high	89.7	Confident	100 Å²	100	61.1 Å²	61.1	44%	0.435	34%	0.335	S	S	.	.			trans	-106.6	-2.8	169.5	-69.2	-64.1	176	-161.3	0	114.1	H168 F169 L201 D202	H168-K195 HydrophobicContact CB-CB 4.3Å; H168-K195 HydrophobicContact CB-CG 4.25Å; F169-K195 PolarHBondContact O-N 3.44Å; K195-L201 VanDerWaalsContact O-CD1 3.27Å; K195-L201 WeakPolarHBondContact O-CD1 3.42Å; K195-D202 IonicContact NZ-OD1 3.97Å; K195-D202 PolarHBondContact NZ-OD1 3.31Å
196	G	87.4	Confident	89.9	Confident	6 Å²	6	61.3 Å²	61.3	6%	0.062	33%	0.334	C	S	.	.	B	Isolated β-bridge	trans	-176.6	178.3	169.4	0	0	0	0	0	110.4	L170 C171	L170-G196 CarbonylContact C-O 3.59Å; L170-G196 WeakPolarHBondContact CA-O 2.99Å; C171-G196 PolarHBondContact N-O 3.23Å
197	P	87.1	Confident	90.1	Very high	61 Å²	61	58.5 Å²	58.5	40%	0.396	32%	0.32	S	S	.	.	S	Bend	cis	-67.1	175.5	-12.9	29.9	-34.7	0	0	0	111.8	S199 Q200 L201	P197-S199 PolarHBondContact O-N 3.06Å; P197-Q200 HydrophobicContact CG-CG 4.48Å; P197-Q200 CarbonylContact O-C 3.53Å; P197-Q200 PolarHBondContact O-N 3.16Å; P197-L201 PolarHBondContact O-N 3.47Å; P197-L201 VanDerWaalsContact O-N 3.1Å
198	A	84	Confident	90.3	Very high	94 Å²	94	59 Å²	59	78%	0.777	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-30.5	-174.9	0	0	0	0	0	114.6	Q200	A198-Q200 VanDerWaalsContact C-N 3.27Å; A198-Q200 PolarHBondContact O-N 3.31Å
199	S	82.2	Confident	90.3	Very high	86 Å²	86	56.8 Å²	56.8	60%	0.601	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-19.1	176.7	55.4	0	0	0	0	114.6	P197 K203	P197-S199 PolarHBondContact O-N 3.06Å; S199-K203 WeakPolarHBondContact O-CE 3.43Å; S199-K203 PolarHBondContact O-NZ 3.36Å
200	Q	86.9	Confident	90	Very high	25 Å²	25	56.2 Å²	56.2	12%	0.117	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.8	1.3	-178.1	-57.7	-66.5	6.3	0	0	112.7	C171 C194 P197 A198 D202 K203	C171-Q200 HydrophobicContact CB-CB 4Å; C171-Q200 HydrophobicContact CB-CG 4.31Å; C194-Q200 HydrophobicContact CB-CB 4.34Å; C194-Q200 WeakPolarHBondContact CB-O 3.38Å; P197-Q200 HydrophobicContact CG-CG 4.48Å; P197-Q200 CarbonylContact O-C 3.53Å; P197-Q200 PolarHBondContact O-N 3.16Å; A198-Q200 VanDerWaalsContact C-N 3.27Å; A198-Q200 PolarHBondContact O-N 3.31Å; Q200-D202 PolarHBondContact O-N 3.07Å; Q200-K203 WeakPolarHBondContact O-CB 3.43Å; Q200-K203 PolarHBondContact O-N 2.84Å; Q200-K203 VanDerWaalsContact O-N 3.14Å; Q200-K203 VanDerWaalsContact OE1-CD 3.26Å
201	L	91.1	Very high	89.7	Confident	87 Å²	87	61.6 Å²	61.6	46%	0.455	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	132.1	-175.2	-174.5	65.7	0	0	0	111.9	K195 P197 K203	K195-L201 VanDerWaalsContact O-CD1 3.27Å; K195-L201 WeakPolarHBondContact O-CD1 3.42Å; P197-L201 PolarHBondContact O-N 3.47Å; P197-L201 VanDerWaalsContact O-N 3.1Å; L201-K203 PolarHBondContact O-N 3.24Å
202	D	92.2	Very high	89.3	Confident	91 Å²	91	59.1 Å²	59.1	49%	0.487	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.3	10.9	179.7	-61.6	-43.8	0	0	0	115.9	C194 K195 Q200	C194-D202 WeakPolarHBondContact O-CA 3.33Å; C194-D202 PolarHBondContact O-N 2.78Å; K195-D202 IonicContact NZ-OD1 3.97Å; K195-D202 PolarHBondContact NZ-OD1 3.31Å; Q200-D202 PolarHBondContact O-N 3.07Å
203	K	91.9	Very high	88.8	Confident	94 Å²	94	59.7 Å²	59.7	41%	0.409	33%	0.327	S	S	.	.			trans	-70.9	143.2	168.2	-65.6	-169.8	-162.3	159.6	0	110.8	Y193 C194 S199 Q200 L201 I205 L208	Y193-K203 WeakPolarHBondContact CA-O 3.42Å; C194-K203 PolarHBondContact N-O 3.24Å; C194-K203 PolarHBondContact SG-O 3.41Å; S199-K203 WeakPolarHBondContact O-CE 3.43Å; S199-K203 PolarHBondContact O-NZ 3.36Å; Q200-K203 WeakPolarHBondContact O-CB 3.43Å; Q200-K203 PolarHBondContact O-N 2.84Å; Q200-K203 VanDerWaalsContact O-N 3.14Å; Q200-K203 VanDerWaalsContact OE1-CD 3.26Å; L201-K203 PolarHBondContact O-N 3.24Å; K203-I205 PolarHBondContact O-N 3.29Å; K203-L208 HydrophobicContact CB-CD2 4.21Å; K203-L208 HydrophobicContact CD-CD2 4.17Å
204	K	93.5	Very high	88.1	Confident	49 Å²	49	60.2 Å²	60.2	21%	0.213	34%	0.337	C	S	.	.	B	Isolated β-bridge	trans	-75.5	118.1	176.6	178.8	155.9	161.5	-92.1	0	110.1	Q191 I192 Y193 N206 D207 L208	Q191-K204 HydrophobicContact CB-CD 4.46Å; Q191-K204 HydrophobicContact CG-CD 4.4Å; I192-K204 CarbonylContact O-C 3.53Å; I192-K204 WeakPolarHBondContact O-CA 3.44Å; Y193-K204 HydrophobicContact CD1-CB 4.19Å; Y193-K204 HydrophobicContact CE1-CB 4.04Å; Y193-K204 HydrophobicContact CE1-CD 4.37Å; Y193-K204 HydrophobicContact CE1-CG 4.5Å; K204-N206 HydrophobicContact CG-CB 4.12Å; K204-N206 PolarHBondContact O-N 3.1Å; K204-D207 HydrophobicContact CB-CB 4.48Å; K204-D207 WeakPolarHBondContact CD-OD2 3.44Å; K204-D207 WeakPolarHBondContact CG-OD2 3.22Å; K204-D207 IonicContact NZ-OD1 3.82Å; K204-D207 PolarHBondContact NZ-OD1 2.82Å; K204-D207 IonicContact NZ-OD2 2.76Å; K204-D207 PolarHBondContact NZ-OD2 2.89Å; K204-D207 PolarHBondContact O-N 3.09Å; K204-L208 PolarHBondContact O-N 3.22Å
205	I	93.8	Very high	87.6	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-61.1	-36.3	-175.9	-63.9	171.8	0	0	0	110.8	F169 C171 L175 V179 I182 I192 C194 K203 D207 L208	F169-I205 HydrophobicContact CB-CD1 3.77Å; F169-I205 HydrophobicContact CD2-CD1 3.76Å; F169-I205 HydrophobicContact CG-CD1 4.11Å; C171-I205 VanDerWaalsContact SG-CG1 3.57Å; L175-I205 HydrophobicContact CD2-CD1 4.15Å; V179-I205 HydrophobicContact CG2-CG2 3.92Å; I182-I205 HydrophobicContact CD1-CG2 4Å; I192-I205 HydrophobicContact CB-CD1 4.27Å; I192-I205 HydrophobicContact CD1-CB 3.9Å; I192-I205 HydrophobicContact CD1-CD1 3.91Å; I192-I205 HydrophobicContact CD1-CG1 4.47Å; I192-I205 HydrophobicContact CD1-CG2 3.88Å; I192-I205 HydrophobicContact CG1-CB 3.93Å; I192-I205 HydrophobicContact CG1-CD1 4.24Å; I192-I205 HydrophobicContact CG1-CG2 4.42Å; I192-I205 PolarHBondContact O-N 3.37Å; C194-I205 VanDerWaalsContact SG-CG1 3.58Å; K203-I205 PolarHBondContact O-N 3.29Å; I205-D207 PolarHBondContact O-N 2.98Å; I205-D207 VanDerWaalsContact O-N 3.16Å; I205-L208 HydrophobicContact CG1-CD1 4.48Å; I205-L208 WeakPolarHBondContact O-CB 3.14Å; I205-L208 PolarHBondContact O-N 3.17Å; I205-L208 VanDerWaalsContact O-N 3.11Å
206	N	91.4	Very high	87.2	Confident	39 Å²	39	59.9 Å²	59.9	21%	0.209	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-61.6	-21.8	177.9	-49.9	78.4	0	0	0	113.5	V189 D190 I192 K204	V189-N206 PolarHBondContact O-ND2 3.49Å; D190-N206 PolarHBondContact O-ND2 3Å; I192-N206 PolarHBondContact N-OD1 3.48Å; I192-N206 VanDerWaalsContact N-OD1 3.12Å; K204-N206 HydrophobicContact CG-CB 4.12Å; K204-N206 PolarHBondContact O-N 3.1Å
207	D	91.1	Very high	87.2	Confident	111 Å²	111	61.1 Å²	61.1	59%	0.594	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-102.9	-1.3	-178	-53.6	-21.1	0	0	0	111.5	K204 I205	K204-D207 HydrophobicContact CB-CB 4.48Å; K204-D207 WeakPolarHBondContact CD-OD2 3.44Å; K204-D207 WeakPolarHBondContact CG-OD2 3.22Å; K204-D207 IonicContact NZ-OD1 3.82Å; K204-D207 PolarHBondContact NZ-OD1 2.82Å; K204-D207 IonicContact NZ-OD2 2.76Å; K204-D207 PolarHBondContact NZ-OD2 2.89Å; K204-D207 PolarHBondContact O-N 3.09Å; I205-D207 PolarHBondContact O-N 2.98Å; I205-D207 VanDerWaalsContact O-N 3.16Å
208	L	89.8	Confident	87.5	Confident	19 Å²	19	58.5 Å²	58.5	10%	0.099	33%	0.328	C	S	.	.			trans	-74.5	141.5	175.5	-64	180	0	0	0	110.2	C171 V179 K203 K204 I205 F213	C171-L208 HydrophobicContact CB-CD1 4.35Å; V179-L208 HydrophobicContact CG1-CB 3.94Å; V179-L208 WeakPolarHBondContact CG1-O 3.03Å; V179-L208 HydrophobicContact CG2-CB 4.38Å; V179-L208 HydrophobicContact CG2-CD1 4.49Å; K203-L208 HydrophobicContact CB-CD2 4.21Å; K203-L208 HydrophobicContact CD-CD2 4.17Å; K204-L208 PolarHBondContact O-N 3.22Å; I205-L208 HydrophobicContact CG1-CD1 4.48Å; I205-L208 WeakPolarHBondContact O-CB 3.14Å; I205-L208 PolarHBondContact O-N 3.17Å; I205-L208 VanDerWaalsContact O-N 3.11Å; L208-F213 HydrophobicContact CB-CE2 4.24Å; L208-F213 HydrophobicContact CD1-CE2 4.19Å; L208-F213 HydrophobicContact CD1-CZ 3.9Å
209	S	88.8	Confident	88.1	Confident	44 Å²	44	57.9 Å²	57.9	31%	0.308	31%	0.309	S	S	.	.			trans	-93.5	137.2	172.1	140.7	0	0	0	0	109.4	Q211 S212	S209-Q211 PolarHBondContact O-N 3.08Å; S209-Q211 PolarHBondContact OG-N 2.02Å; S209-Q211 VanDerWaalsContact OG-N 3.16Å; S209-Q211 PolarHBondContact OG-OE1 3.2Å; S209-S212 WeakPolarHBondContact O-CB 3.04Å; S209-S212 PolarHBondContact O-N 2.82Å; S209-S212 PolarHBondContact O-OG 3.3Å
210	P	84.9	Confident	88.8	Confident	13 Å²	13	53.8 Å²	53.8	8%	0.084	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-55	-32.8	173	-29	36.8	0	0	0	113.8	V179 E180 S212 F213	V179-P210 HydrophobicContact CG1-CG 4.13Å; E180-P210 HydrophobicContact CB-CG 4.4Å; E180-P210 HydrophobicContact CG-CB 3.56Å; E180-P210 HydrophobicContact CG-CG 3.7Å; P210-S212 PolarHBondContact O-N 3.3Å; P210-F213 PolarHBondContact O-N 3.06Å
211	Q	81.9	Confident	89.3	Confident	154 Å²	154	53.5 Å²	53.5	72%	0.72	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-70.9	-15.8	178.6	-58.3	87.5	1	0	0	113.1	S209 F213	S209-Q211 PolarHBondContact O-N 3.08Å; S209-Q211 PolarHBondContact OG-N 2.02Å; S209-Q211 VanDerWaalsContact OG-N 3.16Å; S209-Q211 PolarHBondContact OG-OE1 3.2Å; Q211-F213 PolarHBondContact O-N 3.27Å
212	S	81.9	Confident	89.6	Confident	59 Å²	59	54.2 Å²	54.2	41%	0.413	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-76.2	-10.5	176.9	73.5	0	0	0	0	113.8	S209 P210	S209-S212 WeakPolarHBondContact O-CB 3.04Å; S209-S212 PolarHBondContact O-N 2.82Å; S209-S212 PolarHBondContact O-OG 3.3Å; P210-S212 PolarHBondContact O-N 3.3Å
213	F	83.1	Confident	89.8	Confident	17 Å²	17	53.3 Å²	53.3	8%	0.075	28%	0.282	C	S	.	.			trans	-91.2	111.8	177.1	-70.3	-101.2	0	0	0	110.6	C171 D172 K176 V179 L208 P210 Q211 C215	C171-F213 HydrophobicContact CB-CE1 4.45Å; C171-F213 HydrophobicContact CB-CZ 4.48Å; C171-F213 WeakPolarHBondContact O-CE1 3.36Å; D172-F213 WeakPolarHBondContact O-CD1 3.3Å; D172-F213 VanDerWaalsContact O-CE1 3.24Å; D172-F213 WeakPolarHBondContact O-CE1 3.38Å; K176-F213 HydrophobicContact CB-CB 4.38Å; K176-F213 HydrophobicContact CB-CD1 4.2Å; K176-F213 HydrophobicContact CB-CG 4.2Å; K176-F213 HydrophobicContact CD-CB 3.91Å; K176-F213 HydrophobicContact CG-CB 4.02Å; K176-F213 HydrophobicContact CG-CD2 4.41Å; K176-F213 HydrophobicContact CG-CG 4.12Å; V179-F213 HydrophobicContact CB-CE2 4.21Å; V179-F213 HydrophobicContact CG1-CE2 4.21Å; V179-F213 HydrophobicContact CG2-CE2 3.8Å; V179-F213 HydrophobicContact CG2-CZ 3.78Å; L208-F213 HydrophobicContact CB-CE2 4.24Å; L208-F213 HydrophobicContact CD1-CE2 4.19Å; L208-F213 HydrophobicContact CD1-CZ 3.9Å; P210-F213 PolarHBondContact O-N 3.06Å; Q211-F213 PolarHBondContact O-N 3.27Å; F213-C215 PolarHBondContact O-N 3.05Å
214	D	78.4	Confident	89.9	Confident	116 Å²	116	51.1 Å²	51.1	62%	0.62	27%	0.274	S	S	*	.			trans	-88.8	93.8	172	-170.8	11.1	0	0	0	109.9
215	C	84.1	Confident	90.1	Very high	3 Å²	3	51.7 Å²	51.7	2%	0.02	28%	0.284	C	S	.	.			trans	-106	-4	-173.3	-61.2	0	0	0	0	114.7	C173 F213 T217 L543	C173-C215 WeakPolarHBondContact CA-SG 3.49Å; C173-C215 HydrophobicContact CB-CB 3.64Å; C173-C215 WeakPolarHBondContact CB-SG 2.92Å; C173-C215 WeakPolarHBondContact SG-CA 3.35Å; C173-C215 WeakPolarHBondContact SG-CB 2.9Å; C173-C215 CovalentContact SG-SG 2.04Å; C173-C215 PolarHBondContact SG-SG 2.85Å; F213-C215 PolarHBondContact O-N 3.05Å; C215-T217 PolarHBondContact O-N 2.04Å; C215-L543 HydrophobicContact CB-CB 4.49Å; C215-L543 WeakPolarHBondContact O-CB 3.36Å; C215-L543 PolarHBondContact O-N 3.45Å
216	I	85.5	Confident	90.2	Very high	89 Å²	89	52.2 Å²	52.2	46%	0.456	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	108.2	173.3	-59.1	179.2	0	0	0	106.1	V540	I216-V540 HydrophobicContact CG2-CG1 3.41Å; I216-V540 VanDerWaalsContact CG2-CG1 3.41Å
217	T	88.4	Confident	90.3	Very high	33 Å²	33	59.6 Å²	59.6	20%	0.202	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	-177.2	168.8	-164.4	0	0	0	0	109.3	C215 I541 L543	C215-T217 PolarHBondContact O-N 2.04Å; T217-I541 HydrophobicContact CG2-CB 3.98Å; T217-I541 HydrophobicContact CG2-CG2 4.49Å; T217-I541 PolarHBondContact N-O 3.31Å; T217-I541 PolarHBondContact O-N 3.47Å; T217-L543 HydrophobicContact CG2-CD1 3.79Å; T217-L543 HydrophobicContact CG2-CD2 4.1Å; T217-L543 HydrophobicContact CG2-CG 3.84Å
218	T	93.5	Very high	90.6	Very high	5 Å²	5	55.6 Å²	55.6	3%	0.031	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	170.6	175	55.9	0	0	0	0	109.7	W475 Y477 F502 H538 L539 V540	T218-W475 HydrophobicContact CG2-CD2 4.43Å; T218-W475 HydrophobicContact CG2-CG 4.47Å; T218-W475 HydrophobicContact CG2-CZ2 4.32Å; T218-Y477 WeakPolarHBondContact CB-OH 3.19Å; T218-Y477 PolarHBondContact OG1-OH 2.64Å; T218-F502 WeakPolarHBondContact O-CZ 3.22Å; T218-F502 WeakPolarHBondContact OG1-CZ 3.43Å; T218-H538 VanDerWaalsContact CB-NE2 3.33Å; T218-H538 WeakPolarHBondContact CB-NE2 3.33Å; T218-H538 VanDerWaalsContact CG2-CE1 3.46Å; T218-H538 WeakPolarHBondContact CG2-CE1 3.12Å; T218-H538 WeakPolarHBondContact CG2-NE2 3.2Å; T218-L539 CarbonylContact C-O 3.58Å; T218-L539 WeakPolarHBondContact CA-O 3.48Å; T218-L539 WeakPolarHBondContact CB-O 3.39Å; T218-V540 HydrophobicContact CG2-CG2 4.32Å
219	E	95	Very high	90.9	Very high	82 Å²	82	57.9 Å²	57.9	38%	0.383	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	146.6	169.8	-175.1	178.4	-176.3	0	0	109.8	H538 L539 I541	E219-H538 WeakPolarHBondContact O-CA 3.34Å; E219-L539 PolarHBondContact N-O 3.1Å; E219-L539 PolarHBondContact O-N 2.89Å; E219-I541 HydrophobicContact CB-CD1 3.61Å; E219-I541 WeakPolarHBondContact OE2-CD1 3.1Å
220	F	97.4	Very high	91.3	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	94	163.9	-65.5	-81.5	0	0	0	109.1	F470 V472 Y477 V489 F502 Q503 L505 L524 Y536 E537 H538	F220-F470 AromaticContact CE1-CE2 3.98Å; F220-F470 HydrophobicContact CE1-CE2 3.98Å; F220-F470 HydrophobicContact CE1-CZ 4.28Å; F220-F470 HydrophobicContact CE2-CZ 4.34Å; F220-F470 AromaticContact CZ-CE2 3.6Å; F220-F470 HydrophobicContact CZ-CE2 3.6Å; F220-F470 AromaticContact CZ-CZ 3.72Å; F220-F470 HydrophobicContact CZ-CZ 3.72Å; F220-V472 HydrophobicContact CE1-CG2 4.49Å; F220-Y477 HydrophobicContact CE2-CD1 4.14Å; F220-Y477 HydrophobicContact CE2-CD2 4.38Å; F220-Y477 HydrophobicContact CE2-CE1 4.12Å; F220-Y477 HydrophobicContact CE2-CE2 4.35Å; F220-Y477 HydrophobicContact CE2-CG 4.28Å; F220-Y477 AromaticContact CZ-CD2 3.98Å; F220-Y477 HydrophobicContact CZ-CD2 3.98Å; F220-Y477 AromaticContact CZ-CE2 3.99Å; F220-Y477 HydrophobicContact CZ-CE2 3.99Å; F220-Y477 HydrophobicContact CZ-CG 4.25Å; F220-V489 HydrophobicContact CD2-CG1 4.2Å; F220-V489 HydrophobicContact CE2-CG1 3.9Å; F220-F502 HydrophobicContact CD2-CE1 4.05Å; F220-F502 HydrophobicContact CE2-CE1 4.03Å; F220-Q503 PolarHBondContact O-NE2 3.01Å; F220-L505 HydrophobicContact CB-CD2 4.28Å; F220-L524 HydrophobicContact CD1-CB 3.89Å; F220-L524 HydrophobicContact CD1-CD2 3.91Å; F220-L524 HydrophobicContact CE1-CB 4Å; F220-L524 HydrophobicContact CE1-CD2 4.09Å; F220-L524 HydrophobicContact CG-CD2 4.37Å; F220-Y536 HydrophobicContact CB-CD1 4.38Å; F220-Y536 HydrophobicContact CB-CG 4.4Å; F220-E537 CarbonylContact C-O 3.6Å; F220-E537 WeakPolarHBondContact CA-O 3.4Å; F220-H538 HydrophobicContact CD1-CB 4.14Å; F220-H538 HydrophobicContact CE1-CB 3.95Å; F220-H538 AromaticContact CE1-CD2 3.64Å; F220-H538 AromaticContact CZ-CD2 3.59Å
221	A	96.9	Very high	91.9	Very high	19 Å²	19	57.1 Å²	57.1	16%	0.157	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	135.2	179.8	0	0	0	0	0	110.4	Y223 Y536 E537 L539	A221-Y223 PolarHBondContact O-N 2.91Å; A221-Y536 CarbonylContact O-C 3.51Å; A221-Y536 WeakPolarHBondContact O-CA 3.44Å; A221-E537 PolarHBondContact N-O 3.44Å; A221-E537 PolarHBondContact O-N 2.6Å; A221-L539 HydrophobicContact CB-CD1 3.67Å; A221-L539 HydrophobicContact CB-CG 4.31Å
222	P	96.9	Very high	92.7	Very high	101 Å²	101	50.3 Å²	50.3	66%	0.656	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.5	124.7	174.2	-22.4	31.7	0	0	0	111	Y536	P222-Y536 HydrophobicContact CB-CD1 4.43Å; P222-Y536 HydrophobicContact CB-CE1 4.34Å; P222-Y536 HydrophobicContact CG-CD1 4.25Å; P222-Y536 HydrophobicContact CG-CE1 4Å
223	Y	96.6	Very high	93.5	Very high	72 Å²	72	47.7 Å²	47.7	28%	0.282	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	-57.5	-177	-172.1	-106.1	0	0	0	112.2	A221 W259 M264 R521 F523 I535 E537	A221-Y223 PolarHBondContact O-N 2.91Å; Y223-W259 HydrophobicContact CE1-CH2 4.37Å; Y223-W259 HydrophobicContact CE1-CZ3 4.33Å; Y223-M264 PolarHBondContact OH-O 3.04Å; Y223-R521 VanDerWaalsContact CZ-NH2 3.32Å; Y223-R521 PolarHBondContact OH-NH1 2.78Å; Y223-R521 PolarHBondContact OH-NH2 2.9Å; Y223-F523 HydrophobicContact CD1-CD1 4.2Å; Y223-F523 AromaticContact CD1-CE1 3.82Å; Y223-F523 HydrophobicContact CD1-CE1 3.82Å; Y223-F523 HydrophobicContact CD2-CE1 4.09Å; Y223-F523 AromaticContact CE1-CE1 3.85Å; Y223-F523 HydrophobicContact CE1-CE1 3.85Å; Y223-F523 HydrophobicContact CE1-CZ 4.44Å; Y223-F523 HydrophobicContact CE2-CE1 4.15Å; Y223-F523 HydrophobicContact CG-CD1 4.26Å; Y223-F523 AromaticContact CG-CE1 3.92Å; Y223-F523 HydrophobicContact CG-CE1 3.92Å; Y223-I535 WeakPolarHBondContact CA-O 3.1Å; Y223-I535 WeakPolarHBondContact CB-O 3.22Å; Y223-I535 HydrophobicContact CD1-CG2 4.36Å; Y223-I535 PolarHBondContact N-O 2.68Å; Y223-E537 HydrophobicContact CD2-CB 3.99Å; Y223-E537 WeakPolarHBondContact CD2-OE2 3.4Å; Y223-E537 WeakPolarHBondContact CE2-OE2 3.45Å; Y223-E537 HydrophobicContact CG-CB 4.3Å
224	Q	95.2	Very high	94.2	Very high	49 Å²	49	49.3 Å²	49.3	23%	0.229	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	137.6	-175.7	-171.8	178.9	-3.6	0	0	110.4	L226 F266 I535	Q224-L226 HydrophobicContact CG-CD2 3.96Å; Q224-F266 PolarHBondContact NE2-O 2.88Å; Q224-I535 HydrophobicContact CB-CB 4.16Å; Q224-I535 HydrophobicContact CB-CD1 4.32Å; Q224-I535 HydrophobicContact CB-CG1 4.43Å; Q224-I535 PolarHBondContact N-O 3.14Å; Q224-I535 VanDerWaalsContact N-O 3.13Å; Q224-I535 PolarHBondContact O-N 3.38Å
225	S	96.3	Very high	95.1	Very high	61 Å²	61	45 Å²	45	43%	0.427	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	111.3	175.7	-155.3	0	0	0	0	109.1	Q534	S225-Q534 PolarHBondContact OG-NE2 3.37Å; S225-Q534 PolarHBondContact OG-OE1 2.87Å
226	L	96.2	Very high	95.6	Very high	10 Å²	10	45.7 Å²	45.7	5%	0.052	24%	0.238	C	C	.	.			trans	-83.8	137.1	-178.3	-53.2	179.5	0	0	0	109.9	Q224 F228 F246 L257 K532 T533 I535	Q224-L226 HydrophobicContact CG-CD2 3.96Å; L226-F228 HydrophobicContact CB-CD1 4.15Å; L226-F228 HydrophobicContact CB-CE1 3.77Å; L226-F228 HydrophobicContact CB-CE2 4.35Å; L226-F228 HydrophobicContact CB-CZ 3.88Å; L226-F228 HydrophobicContact CD1-CE1 4.03Å; L226-F228 HydrophobicContact CD1-CE2 4.15Å; L226-F228 HydrophobicContact CD1-CZ 3.48Å; L226-F228 VanDerWaalsContact CD1-CZ 3.48Å; L226-F228 HydrophobicContact CG-CE1 4.41Å; L226-F228 HydrophobicContact CG-CZ 4.28Å; L226-F228 PolarHBondContact O-N 2.88Å; L226-F246 HydrophobicContact CD1-CE1 4.46Å; L226-F246 HydrophobicContact CD1-CE2 3.95Å; L226-F246 HydrophobicContact CD1-CZ 3.79Å; L226-L257 HydrophobicContact CD1-CD1 3.93Å; L226-L257 HydrophobicContact CD2-CD1 4.38Å; L226-K532 VanDerWaalsContact O-CB 3.31Å; L226-K532 WeakPolarHBondContact O-CB 3.21Å; L226-T533 HydrophobicContact CD1-CG2 3.87Å; L226-T533 PolarHBondContact N-O 2.83Å; L226-I535 HydrophobicContact CD1-CD1 4.13Å; L226-I535 HydrophobicContact CD1-CG1 4.27Å; L226-I535 HydrophobicContact CD2-CD1 4.22Å; L226-I535 HydrophobicContact CG-CD1 4.33Å; L226-I535 HydrophobicContact CG-CG1 4.37Å
227	K	94.7	Very high	96	Very high	195 Å²	195	44.7 Å²	44.7	85%	0.848	24%	0.238	S	C	*	.	S	Bend	trans	-82.6	40	-172.7	-60.4	-178.8	-177.4	175	0	112.9
228	F	96.1	Very high	96.3	Very high	26 Å²	26	43.7 Å²	43.7	11%	0.114	23%	0.231	C	C	.	.	S	Bend	trans	-152.8	154.1	177.8	58.5	-104.9	0	0	0	111.8	L226 F246 Q248 I251 T533	L226-F228 HydrophobicContact CB-CD1 4.15Å; L226-F228 HydrophobicContact CB-CE1 3.77Å; L226-F228 HydrophobicContact CB-CE2 4.35Å; L226-F228 HydrophobicContact CB-CZ 3.88Å; L226-F228 HydrophobicContact CD1-CE1 4.03Å; L226-F228 HydrophobicContact CD1-CE2 4.15Å; L226-F228 HydrophobicContact CD1-CZ 3.48Å; L226-F228 VanDerWaalsContact CD1-CZ 3.48Å; L226-F228 HydrophobicContact CG-CE1 4.41Å; L226-F228 HydrophobicContact CG-CZ 4.28Å; L226-F228 PolarHBondContact O-N 2.88Å; F228-F246 HydrophobicContact CE2-CB 4.08Å; F228-F246 HydrophobicContact CE2-CD1 4.13Å; F228-F246 HydrophobicContact CE2-CD2 4.21Å; F228-F246 AromaticContact CE2-CG 3.89Å; F228-F246 HydrophobicContact CE2-CG 3.89Å; F228-F246 HydrophobicContact CZ-CB 4.48Å; F228-F246 AromaticContact CZ-CD2 3.95Å; F228-F246 HydrophobicContact CZ-CD2 3.95Å; F228-F246 HydrophobicContact CZ-CE2 4.31Å; F228-F246 HydrophobicContact CZ-CG 4.1Å; F228-Q248 HydrophobicContact CD2-CG 3.93Å; F228-Q248 VanDerWaalsContact CD2-NE2 3.29Å; F228-Q248 HydrophobicContact CE2-CG 4.18Å; F228-Q248 HydrophobicContact CG-CG 4.5Å; F228-I251 HydrophobicContact CB-CD1 3.5Å; F228-I251 VanDerWaalsContact CB-CD1 3.5Å; F228-I251 HydrophobicContact CG-CD1 4.41Å; F228-T533 HydrophobicContact CE2-CG2 4.21Å; F228-T533 WeakPolarHBondContact O-CB 3.39Å; F228-T533 PolarHBondContact O-N 3.29Å; F228-T533 PolarHBondContact O-OG1 2.97Å
229	E	97.3	Very high	96.1	Very high	67 Å²	67	49.1 Å²	49.1	31%	0.313	25%	0.251	S	S	.	.			trans	-80.6	149.6	167.5	-57.5	73.5	-167.6	0	0	110.4	F250 S528 G531	E229-F250 HydrophobicContact CB-CD2 3.8Å; E229-F250 HydrophobicContact CB-CE2 4.1Å; E229-F250 HydrophobicContact CG-CD2 4.21Å; E229-F250 HydrophobicContact CG-CE2 4.41Å; E229-S528 CarbonylContact C-O 3.58Å; E229-S528 VanDerWaalsContact CA-O 3.28Å; E229-S528 WeakPolarHBondContact CA-O 3.29Å; E229-S528 WeakPolarHBondContact CB-O 3.38Å; E229-G531 WeakPolarHBondContact CA-O 3.43Å; E229-G531 WeakPolarHBondContact CG-O 3.14Å
230	S	97.8	Very high	95.8	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.274	C	S	.	.			trans	-145.8	152.3	175.3	58.4	0	0	0	0	111.4	A247 S527 S528 F529 T533	S230-A247 VanDerWaalsContact CA-O 3.29Å; S230-A247 WeakPolarHBondContact CA-O 2.92Å; S230-A247 WeakPolarHBondContact CB-O 3.38Å; S230-S527 VanDerWaalsContact OG-CA 3.31Å; S230-S527 WeakPolarHBondContact OG-CA 3.4Å; S230-S527 WeakPolarHBondContact OG-CB 3.14Å; S230-S528 PolarHBondContact N-O 3.41Å; S230-S528 CarbonylContact O-C 3.45Å; S230-S528 PolarHBondContact O-N 2.73Å; S230-S528 VanDerWaalsContact O-O 3.05Å; S230-F529 PolarHBondContact O-N 2.91Å; S230-T533 WeakPolarHBondContact CB-OG1 3.44Å; S230-T533 PolarHBondContact N-OG1 3.14Å; S230-T533 PolarHBondContact OG-OG1 2.86Å
231	I	97.6	Very high	95.3	Very high	41 Å²	41	56.6 Å²	56.6	21%	0.21	29%	0.294	C	S	.	.	S	Bend	trans	-107.4	-30.9	178.9	-168.6	170.1	0	0	0	112.2	A247 P249 V278 R511 F529	I231-A247 HydrophobicContact CG2-CB 3.73Å; I231-A247 PolarHBondContact N-O 2.84Å; I231-P249 HydrophobicContact CB-CG 4.19Å; I231-P249 HydrophobicContact CG2-CG 4.05Å; I231-V278 HydrophobicContact CD1-CG1 4.41Å; I231-V278 WeakPolarHBondContact CG2-O 3.19Å; I231-R511 HydrophobicContact CG1-CB 4.41Å; I231-R511 HydrophobicContact CG1-CG 4.25Å; I231-R511 WeakPolarHBondContact O-CB 3.41Å; I231-F529 HydrophobicContact CB-CD2 4.17Å; I231-F529 HydrophobicContact CD1-CD2 4.22Å; I231-F529 HydrophobicContact CD1-CE2 4.05Å; I231-F529 HydrophobicContact CG1-CD2 4.18Å; I231-F529 HydrophobicContact CG1-CE2 4.5Å
232	S	97.8	Very high	95.1	Very high	11 Å²	11	58.2 Å²	58.2	8%	0.077	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	153.6	173.8	84.2	0	0	0	0	110.3	F246 A247	S232-F246 WeakPolarHBondContact O-CA 3.37Å; S232-A247 PolarHBondContact O-N 3.01Å; S232-A247 VanDerWaalsContact O-N 3.09Å; S232-A247 WeakPolarHBondContact OG-CB 3.09Å
233	V	98.3	Very high	95.1	Very high	4 Å²	4	54.3 Å²	54.3	2%	0.024	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	135.7	171.2	58.4	0	0	0	0	109.1	V244 V245 F246 A512 L525	V233-V244 HydrophobicContact CG2-CG1 3.72Å; V233-V245 WeakPolarHBondContact CA-O 3.42Å; V233-F246 HydrophobicContact CB-CD1 3.68Å; V233-F246 HydrophobicContact CB-CE1 3.6Å; V233-F246 HydrophobicContact CB-CZ 4.49Å; V233-F246 HydrophobicContact CG2-CD1 3.66Å; V233-F246 HydrophobicContact CG2-CE1 3.22Å; V233-F246 HydrophobicContact CG2-CE2 4.39Å; V233-F246 HydrophobicContact CG2-CG 4.4Å; V233-F246 HydrophobicContact CG2-CZ 3.65Å; V233-A512 HydrophobicContact CG1-CB 3.94Å; V233-L525 HydrophobicContact CG1-CB 4.34Å; V233-L525 HydrophobicContact CG2-CB 3.72Å; V233-L525 HydrophobicContact CG2-CD1 3.83Å; V233-L525 HydrophobicContact CG2-CG 4.38Å
234	E	97.6	Very high	95.2	Very high	51 Å²	51	50.9 Å²	50.9	24%	0.238	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	126.3	177.7	-68.8	-75.7	-170.7	0	0	109.1	V244 V245 K281 P282	E234-V244 WeakPolarHBondContact O-CA 3.2Å; E234-V245 HydrophobicContact CB-CG1 3.85Å; E234-V245 PolarHBondContact N-O 2.88Å; E234-V245 PolarHBondContact O-N 2.84Å; E234-K281 HydrophobicContact CG-CD 4.25Å; E234-K281 VanDerWaalsContact OE1-CD 3.3Å; E234-K281 WeakPolarHBondContact OE1-CD 3.46Å; E234-K281 WeakPolarHBondContact OE1-CE 3.35Å; E234-K281 IonicContact OE1-NZ 3.61Å; E234-K281 PolarHBondContact OE1-NZ 2.85Å; E234-P282 HydrophobicContact CB-CG 4.07Å
235	A	97.1	Very high	95.3	Very high	26 Å²	26	48.6 Å²	48.6	22%	0.215	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	138.6	168.4	0	0	0	0	0	109.9	Y243 S514 V516 L525	A235-Y243 WeakPolarHBondContact CA-O 3.31Å; A235-S514 WeakPolarHBondContact CB-OG 3.46Å; A235-S514 PolarHBondContact N-OG 3.43Å; A235-V516 HydrophobicContact CB-CB 3.74Å; A235-V516 HydrophobicContact CB-CG2 3.92Å; A235-L525 HydrophobicContact CB-CD1 4.1Å
236	F	96	Very high	95.4	Very high	18 Å²	18	45.7 Å²	45.7	8%	0.079	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	152.7	179.1	68.5	-81.3	0	0	0	111.8	F238 Y243 V245 F256 P282 L289	F236-F238 HydrophobicContact CD2-CB 4.25Å; F236-F238 HydrophobicContact CE2-CB 4.08Å; F236-Y243 HydrophobicContact CE2-CD2 4.01Å; F236-Y243 HydrophobicContact CE2-CG 4.16Å; F236-Y243 HydrophobicContact CZ-CD2 4.36Å; F236-Y243 HydrophobicContact CZ-CG 4.04Å; F236-Y243 PolarHBondContact N-O 2.91Å; F236-Y243 PolarHBondContact O-N 3.41Å; F236-V245 HydrophobicContact CD1-CG1 4.36Å; F236-V245 HydrophobicContact CE1-CB 4.2Å; F236-V245 HydrophobicContact CE1-CG1 4.15Å; F236-F256 HydrophobicContact CE1-CD1 4.19Å; F236-F256 HydrophobicContact CE1-CE1 4.29Å; F236-F256 HydrophobicContact CZ-CD1 4.1Å; F236-F256 HydrophobicContact CZ-CE1 4.2Å; F236-P282 HydrophobicContact CB-CB 3.96Å; F236-P282 HydrophobicContact CB-CG 3.71Å; F236-P282 HydrophobicContact CD1-CB 3.67Å; F236-P282 HydrophobicContact CD1-CG 3.64Å; F236-P282 HydrophobicContact CD2-CB 4.03Å; F236-P282 HydrophobicContact CE1-CB 4.13Å; F236-P282 HydrophobicContact CE1-CG 4.43Å; F236-P282 HydrophobicContact CE2-CB 4.46Å; F236-P282 HydrophobicContact CG-CB 3.61Å; F236-P282 HydrophobicContact CG-CG 3.75Å; F236-P282 HydrophobicContact CZ-CB 4.5Å; F236-L289 HydrophobicContact CD2-CD1 4.04Å; F236-L289 HydrophobicContact CE2-CD1 3.64Å; F236-L289 HydrophobicContact CE2-CD2 3.72Å; F236-L289 HydrophobicContact CE2-CG 4.35Å; F236-L289 HydrophobicContact CZ-CD1 4.36Å; F236-L289 HydrophobicContact CZ-CD2 4.1Å
237	S	94.1	Very high	95.5	Very high	67 Å²	67	45.2 Å²	45.2	47%	0.469	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	134.4	175.7	-43.6	0	0	0	0	110.5	D241 Q242	S237-D241 VanDerWaalsContact CA-O 3.32Å; S237-D241 WeakPolarHBondContact CA-O 3.11Å; S237-Q242 VanDerWaalsContact OG-CD 3.23Å; S237-Q242 PolarHBondContact OG-NE2 2.84Å; S237-Q242 PolarHBondContact OG-OE1 3.2Å
238	F	94	Very high	95.6	Very high	13 Å²	13	36 Å²	36	6%	0.057	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	126.2	174.7	179.2	-115.2	0	0	0	109.6	F236 N240 D241 Y243 V284 N287 L289 R305 T307	F236-F238 HydrophobicContact CD2-CB 4.25Å; F236-F238 HydrophobicContact CE2-CB 4.08Å; F238-N240 PolarHBondContact O-N 3.21Å; F238-D241 PolarHBondContact N-O 3Å; F238-D241 PolarHBondContact O-N 3.03Å; F238-Y243 HydrophobicContact CB-CD2 3.94Å; F238-Y243 HydrophobicContact CB-CE2 3.89Å; F238-Y243 HydrophobicContact CD1-CE2 4.28Å; F238-V284 HydrophobicContact CD2-CG1 4.35Å; F238-V284 HydrophobicContact CD2-CG2 4.27Å; F238-N287 WeakPolarHBondContact CE2-O 3.39Å; F238-L289 HydrophobicContact CD1-CB 4.41Å; F238-L289 HydrophobicContact CD1-CD2 4.23Å; F238-L289 HydrophobicContact CD2-CB 3.8Å; F238-L289 HydrophobicContact CE1-CB 4.26Å; F238-L289 HydrophobicContact CE2-CB 3.63Å; F238-L289 HydrophobicContact CG-CB 4.19Å; F238-L289 HydrophobicContact CG-CD2 4.31Å; F238-L289 HydrophobicContact CZ-CB 3.87Å; F238-R305 HydrophobicContact CE1-CG 4.45Å; F238-T307 HydrophobicContact CE1-CG2 4.49Å; F238-T307 HydrophobicContact CZ-CG2 4.4Å
239	R	89.8	Confident	95.4	Very high	119 Å²	119	36.1 Å²	36.1	45%	0.449	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	34.7	-177.8	-62.2	-177.6	170.7	-171	-2	115	D241 T307	R239-D241 PolarHBondContact O-N 3.4Å; R239-T307 PolarHBondContact NH2-OG1 2.86Å; R239-T307 VanDerWaalsContact NH2-OG1 3.1Å
240	N	87.4	Confident	95.1	Very high	159 Å²	159	39.1 Å²	39.1	85%	0.85	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.9	-1.5	-176.6	-52.6	-32.5	0	0	0	115.9	F238	F238-N240 PolarHBondContact O-N 3.21Å
241	D	88.9	Confident	94.9	Very high	79 Å²	79	43.5 Å²	43.5	42%	0.422	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	152.2	172.4	-61.6	-42.2	0	0	0	110.5	S237 F238 R239 Y243	S237-D241 VanDerWaalsContact CA-O 3.32Å; S237-D241 WeakPolarHBondContact CA-O 3.11Å; F238-D241 PolarHBondContact N-O 3Å; F238-D241 PolarHBondContact O-N 3.03Å; R239-D241 PolarHBondContact O-N 3.4Å; D241-Y243 HydrophobicContact CB-CD2 4.42Å; D241-Y243 HydrophobicContact CB-CE2 3.6Å
242	Q	92.7	Very high	94.8	Very high	54 Å²	54	42.3 Å²	42.3	25%	0.252	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	128.6	176.3	-61.4	-59.2	-31.4	0	0	110.1	S237 V516 I518	S237-Q242 VanDerWaalsContact OG-CD 3.23Å; S237-Q242 PolarHBondContact OG-NE2 2.84Å; S237-Q242 PolarHBondContact OG-OE1 3.2Å; Q242-V516 HydrophobicContact CB-CG2 4.41Å; Q242-I518 HydrophobicContact CB-CD1 4.42Å; Q242-I518 HydrophobicContact CB-CG1 3.92Å; Q242-I518 HydrophobicContact CG-CG1 3.98Å
243	Y	95.9	Very high	94.7	Very high	18 Å²	18	43.7 Å²	43.7	7%	0.071	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	157.1	178.8	-62.3	-81.1	0	0	0	110.3	A235 F236 F238 D241 L257 E258 F269	A235-Y243 WeakPolarHBondContact CA-O 3.31Å; F236-Y243 HydrophobicContact CE2-CD2 4.01Å; F236-Y243 HydrophobicContact CE2-CG 4.16Å; F236-Y243 HydrophobicContact CZ-CD2 4.36Å; F236-Y243 HydrophobicContact CZ-CG 4.04Å; F236-Y243 PolarHBondContact N-O 2.91Å; F236-Y243 PolarHBondContact O-N 3.41Å; F238-Y243 HydrophobicContact CB-CD2 3.94Å; F238-Y243 HydrophobicContact CB-CE2 3.89Å; F238-Y243 HydrophobicContact CD1-CE2 4.28Å; D241-Y243 HydrophobicContact CB-CD2 4.42Å; D241-Y243 HydrophobicContact CB-CE2 3.6Å; Y243-L257 WeakPolarHBondContact CA-O 3.44Å; Y243-E258 HydrophobicContact CD1-CB 3.8Å; Y243-E258 HydrophobicContact CE1-CB 3.77Å; Y243-F269 HydrophobicContact CD1-CD1 4.11Å; Y243-F269 HydrophobicContact CD1-CE1 4.4Å; Y243-F269 HydrophobicContact CD1-CG 4.26Å; Y243-F269 HydrophobicContact CE1-CD1 4.08Å; Y243-F269 HydrophobicContact CE1-CD2 4.04Å; Y243-F269 HydrophobicContact CE1-CE1 4.1Å; Y243-F269 HydrophobicContact CE1-CE2 4.05Å; Y243-F269 HydrophobicContact CE1-CG 4.04Å; Y243-F269 HydrophobicContact CE1-CZ 4.07Å
244	V	97.9	Very high	94.7	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.006	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	136.3	174.6	-177.2	0	0	0	0	108.3	V233 E234 F246 F256 L257 F266 L525	V233-V244 HydrophobicContact CG2-CG1 3.72Å; E234-V244 WeakPolarHBondContact O-CA 3.2Å; V244-F246 HydrophobicContact CB-CE2 4.22Å; V244-F246 HydrophobicContact CG1-CD2 3.96Å; V244-F246 HydrophobicContact CG1-CE1 4.47Å; V244-F246 HydrophobicContact CG1-CE2 3.32Å; V244-F246 HydrophobicContact CG1-CZ 3.63Å; V244-F256 CarbonylContact O-C 3.51Å; V244-F256 VanDerWaalsContact O-CA 3.29Å; V244-F256 WeakPolarHBondContact O-CA 3.13Å; V244-L257 HydrophobicContact CB-CB 4.44Å; V244-L257 PolarHBondContact N-O 3.37Å; V244-L257 PolarHBondContact O-N 3.39Å; V244-F266 HydrophobicContact CG2-CD1 4.1Å; V244-F266 HydrophobicContact CG2-CE1 3.67Å; V244-F266 HydrophobicContact CG2-CZ 4.5Å; V244-L525 HydrophobicContact CB-CD1 4.22Å; V244-L525 HydrophobicContact CG1-CD1 3.48Å; V244-L525 VanDerWaalsContact CG1-CD1 3.48Å; V244-L525 HydrophobicContact CG1-CD2 4.34Å; V244-L525 HydrophobicContact CG1-CG 4.47Å; V244-L525 HydrophobicContact CG2-CD1 3.64Å; V244-L525 HydrophobicContact CG2-CD2 4.31Å
245	V	98.3	Very high	94.6	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	134.7	172.2	62.8	0	0	0	0	110.8	V233 E234 F236 C254 G255 F256 C280 P282	V233-V245 WeakPolarHBondContact CA-O 3.42Å; E234-V245 HydrophobicContact CB-CG1 3.85Å; E234-V245 PolarHBondContact N-O 2.88Å; E234-V245 PolarHBondContact O-N 2.84Å; F236-V245 HydrophobicContact CD1-CG1 4.36Å; F236-V245 HydrophobicContact CE1-CB 4.2Å; F236-V245 HydrophobicContact CE1-CG1 4.15Å; V245-C254 HydrophobicContact CG2-CB 4.13Å; V245-G255 WeakPolarHBondContact CA-O 3.49Å; V245-F256 HydrophobicContact CB-CD1 3.79Å; V245-F256 HydrophobicContact CB-CE1 3.66Å; V245-F256 HydrophobicContact CB-CG 4.47Å; V245-F256 HydrophobicContact CB-CZ 4.26Å; V245-F256 HydrophobicContact CG1-CE1 4.49Å; V245-F256 HydrophobicContact CG2-CD1 3.85Å; V245-F256 HydrophobicContact CG2-CD2 4.33Å; V245-F256 HydrophobicContact CG2-CE1 3.48Å; V245-F256 VanDerWaalsContact CG2-CE1 3.48Å; V245-F256 HydrophobicContact CG2-CE2 3.98Å; V245-F256 HydrophobicContact CG2-CG 4.25Å; V245-F256 HydrophobicContact CG2-CZ 3.54Å; V245-C280 HydrophobicContact CG1-CB 4.38Å; V245-C280 VanDerWaalsContact CG1-O 3.29Å; V245-C280 WeakPolarHBondContact CG1-O 3.32Å; V245-C280 HydrophobicContact CG2-CB 3.53Å; V245-P282 HydrophobicContact CG1-CG 4.36Å
246	F	98.2	Very high	94.7	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	133.4	175.4	-65.8	-87.8	0	0	0	110.7	L226 F228 S232 V233 V244 Q248 C254 G255 L257 L525 T533	L226-F246 HydrophobicContact CD1-CE1 4.46Å; L226-F246 HydrophobicContact CD1-CE2 3.95Å; L226-F246 HydrophobicContact CD1-CZ 3.79Å; F228-F246 HydrophobicContact CE2-CB 4.08Å; F228-F246 HydrophobicContact CE2-CD1 4.13Å; F228-F246 HydrophobicContact CE2-CD2 4.21Å; F228-F246 AromaticContact CE2-CG 3.89Å; F228-F246 HydrophobicContact CE2-CG 3.89Å; F228-F246 HydrophobicContact CZ-CB 4.48Å; F228-F246 AromaticContact CZ-CD2 3.95Å; F228-F246 HydrophobicContact CZ-CD2 3.95Å; F228-F246 HydrophobicContact CZ-CE2 4.31Å; F228-F246 HydrophobicContact CZ-CG 4.1Å; S232-F246 WeakPolarHBondContact O-CA 3.37Å; V233-F246 HydrophobicContact CB-CD1 3.68Å; V233-F246 HydrophobicContact CB-CE1 3.6Å; V233-F246 HydrophobicContact CB-CZ 4.49Å; V233-F246 HydrophobicContact CG2-CD1 3.66Å; V233-F246 HydrophobicContact CG2-CE1 3.22Å; V233-F246 HydrophobicContact CG2-CE2 4.39Å; V233-F246 HydrophobicContact CG2-CG 4.4Å; V233-F246 HydrophobicContact CG2-CZ 3.65Å; V244-F246 HydrophobicContact CB-CE2 4.22Å; V244-F246 HydrophobicContact CG1-CD2 3.96Å; V244-F246 HydrophobicContact CG1-CE1 4.47Å; V244-F246 HydrophobicContact CG1-CE2 3.32Å; V244-F246 HydrophobicContact CG1-CZ 3.63Å; F246-Q248 HydrophobicContact CB-CG 4.15Å; F246-C254 CarbonylContact O-C 3.59Å; F246-C254 VanDerWaalsContact O-CA 3.31Å; F246-C254 WeakPolarHBondContact O-CA 3.31Å; F246-G255 PolarHBondContact N-O 3.2Å; F246-G255 PolarHBondContact O-N 3.34Å; F246-L257 HydrophobicContact CD2-CD1 4.27Å; F246-L257 HydrophobicContact CD2-CG 4.34Å; F246-L257 HydrophobicContact CE2-CD1 3.67Å; F246-L257 HydrophobicContact CE2-CG 4.12Å; F246-L525 HydrophobicContact CZ-CD2 4.37Å; F246-T533 HydrophobicContact CD1-CG2 3.93Å; F246-T533 HydrophobicContact CE1-CG2 3.37Å; F246-T533 HydrophobicContact CZ-CG2 4.02Å
247	A	98.1	Very high	94.7	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	116.4	164.1	0	0	0	0	0	109.5	S230 I231 S232 P249 T277	S230-A247 VanDerWaalsContact CA-O 3.29Å; S230-A247 WeakPolarHBondContact CA-O 2.92Å; S230-A247 WeakPolarHBondContact CB-O 3.38Å; I231-A247 HydrophobicContact CG2-CB 3.73Å; I231-A247 PolarHBondContact N-O 2.84Å; S232-A247 PolarHBondContact O-N 3.01Å; S232-A247 VanDerWaalsContact O-N 3.09Å; S232-A247 WeakPolarHBondContact OG-CB 3.09Å; A247-P249 VanDerWaalsContact O-CD 3.23Å; A247-P249 WeakPolarHBondContact O-CD 3.22Å; A247-T277 HydrophobicContact CB-CG2 4Å
248	Q	96.8	Very high	94.7	Very high	3 Å²	3	38 Å²	38	1%	0.014	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	83.1	-175.8	-60.8	175.3	-2.2	0	0	110	F228 F246 F250 I251 G252 K253	F228-Q248 HydrophobicContact CD2-CG 3.93Å; F228-Q248 VanDerWaalsContact CD2-NE2 3.29Å; F228-Q248 HydrophobicContact CE2-CG 4.18Å; F228-Q248 HydrophobicContact CG-CG 4.5Å; F246-Q248 HydrophobicContact CB-CG 4.15Å; Q248-F250 VanDerWaalsContact C-N 3.33Å; Q248-F250 PolarHBondContact O-N 3.29Å; Q248-I251 HydrophobicContact CB-CB 4.14Å; Q248-I251 HydrophobicContact CB-CD1 4.45Å; Q248-I251 PolarHBondContact O-N 2.92Å; Q248-G252 PolarHBondContact O-N 2.67Å; Q248-K253 HydrophobicContact CB-CG 4.31Å; Q248-K253 WeakPolarHBondContact CB-O 3.48Å; Q248-K253 PolarHBondContact N-O 2.83Å; Q248-K253 PolarHBondContact O-N 2.83Å; Q248-K253 VanDerWaalsContact OE1-CG 3.31Å
249	P	92.4	Very high	94.7	Very high	27 Å²	27	38 Å²	38	18%	0.175	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-33.7	-169.6	22	-32.6	0	0	0	113.7	I231 A247 F529	I231-P249 HydrophobicContact CB-CG 4.19Å; I231-P249 HydrophobicContact CG2-CG 4.05Å; A247-P249 VanDerWaalsContact O-CD 3.23Å; A247-P249 WeakPolarHBondContact O-CD 3.22Å; P249-F529 HydrophobicContact CG-CE2 4.3Å
250	F	91.1	Very high	94.8	Very high	131 Å²	131	33.6 Å²	33.6	58%	0.575	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-30.1	-178.1	-56.3	-71.1	0	0	0	113.2	E229 Q248 F529	E229-F250 HydrophobicContact CB-CD2 3.8Å; E229-F250 HydrophobicContact CB-CE2 4.1Å; E229-F250 HydrophobicContact CG-CD2 4.21Å; E229-F250 HydrophobicContact CG-CE2 4.41Å; Q248-F250 VanDerWaalsContact C-N 3.33Å; Q248-F250 PolarHBondContact O-N 3.29Å; F250-F529 HydrophobicContact CE2-CD2 4.19Å; F250-F529 AromaticContact CE2-CE2 3.94Å; F250-F529 HydrophobicContact CE2-CE2 3.94Å; F250-F529 HydrophobicContact CE2-CZ 4.29Å; F250-F529 WeakPolarHBondContact CE2-O 3.35Å; F250-F529 HydrophobicContact CZ-CD2 4.43Å; F250-F529 HydrophobicContact CZ-CE1 4.26Å; F250-F529 AromaticContact CZ-CE2 3.82Å; F250-F529 HydrophobicContact CZ-CE2 3.82Å; F250-F529 AromaticContact CZ-CZ 3.72Å; F250-F529 HydrophobicContact CZ-CZ 3.72Å
251	I	93.4	Very high	95	Very high	92 Å²	92	30.8 Å²	30.8	47%	0.472	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-30.5	173.8	-61	175.8	0	0	0	110.1	F228 Q248 K253	F228-I251 HydrophobicContact CB-CD1 3.5Å; F228-I251 VanDerWaalsContact CB-CD1 3.5Å; F228-I251 HydrophobicContact CG-CD1 4.41Å; Q248-I251 HydrophobicContact CB-CB 4.14Å; Q248-I251 HydrophobicContact CB-CD1 4.45Å; Q248-I251 PolarHBondContact O-N 2.92Å; I251-K253 HydrophobicContact CB-CG 4.39Å; I251-K253 HydrophobicContact CG2-CD 3.81Å; I251-K253 HydrophobicContact CG2-CG 3.85Å
252	G	94.4	Very high	95.1	Very high	16 Å²	16	33.4 Å²	33.4	17%	0.165	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.7	39.9	179.9	0	0	0	0	0	113	Q248 S274	Q248-G252 PolarHBondContact O-N 2.67Å; G252-S274 CarbonylContact C-O 3.56Å; G252-S274 WeakPolarHBondContact CA-O 3.19Å; G252-S274 CarbonylContact O-C 3.3Å; G252-S274 VanDerWaalsContact O-C 3.3Å; G252-S274 PolarHBondContact O-N 2.91Å
253	K	96.1	Very high	95.1	Very high	40 Å²	40	37.1 Å²	37.1	17%	0.174	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	159.9	177.3	67.5	-175.8	-167.4	156.2	0	114	Q248 I251 D271 I272 S274	Q248-K253 HydrophobicContact CB-CG 4.31Å; Q248-K253 WeakPolarHBondContact CB-O 3.48Å; Q248-K253 PolarHBondContact N-O 2.83Å; Q248-K253 PolarHBondContact O-N 2.83Å; Q248-K253 VanDerWaalsContact OE1-CG 3.31Å; I251-K253 HydrophobicContact CB-CG 4.39Å; I251-K253 HydrophobicContact CG2-CD 3.81Å; I251-K253 HydrophobicContact CG2-CG 3.85Å; K253-D271 HydrophobicContact CD-CB 4.21Å; K253-D271 WeakPolarHBondContact CD-OD1 3.3Å; K253-D271 VanDerWaalsContact CE-OD1 3.29Å; K253-D271 WeakPolarHBondContact CE-OD1 3.28Å; K253-D271 IonicContact NZ-OD1 2.6Å; K253-D271 PolarHBondContact NZ-OD1 2.85Å; K253-D271 IonicContact NZ-OD2 2.81Å; K253-D271 PolarHBondContact NZ-OD2 2.94Å; K253-I272 CarbonylContact C-O 3.57Å; K253-I272 WeakPolarHBondContact CA-O 3.41Å; K253-I272 WeakPolarHBondContact CB-O 3.42Å; K253-S274 PolarHBondContact N-O 2.87Å
254	C	97.8	Very high	94.9	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	112.5	153.7	-64.6	0	0	0	0	107.8	V245 F246 F256 D271 I272 C280	V245-C254 HydrophobicContact CG2-CB 4.13Å; F246-C254 CarbonylContact O-C 3.59Å; F246-C254 VanDerWaalsContact O-CA 3.31Å; F246-C254 WeakPolarHBondContact O-CA 3.31Å; C254-F256 HydrophobicContact CB-CE2 3.96Å; C254-F256 HydrophobicContact CB-CZ 4.43Å; C254-D271 WeakPolarHBondContact O-CA 3.49Å; C254-I272 HydrophobicContact CB-CB 4.13Å; C254-I272 PolarHBondContact N-O 3.17Å; C254-I272 PolarHBondContact O-N 2.86Å; C254-C280 VanDerWaalsContact CA-SG 3.57Å; C254-C280 HydrophobicContact CB-CB 3.81Å; C254-C280 WeakPolarHBondContact CB-SG 3.36Å; C254-C280 WeakPolarHBondContact SG-CB 3.45Å; C254-C280 CovalentContact SG-SG 2.03Å; C254-C280 PolarHBondContact SG-SG 3.29Å
255	G	97.1	Very high	94.6	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.01	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	125	179.5	0	0	0	0	0	111.8	V245 F246 D271	V245-G255 WeakPolarHBondContact CA-O 3.49Å; F246-G255 PolarHBondContact N-O 3.2Å; F246-G255 PolarHBondContact O-N 3.34Å; G255-D271 VanDerWaalsContact CA-OD1 3.26Å; G255-D271 WeakPolarHBondContact CA-OD1 3.46Å
256	F	97.6	Very high	94.4	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	129	178.2	-62.4	-99.1	0	0	0	110.1	F236 V244 V245 C254 N268 F269 D270 I272 I291 F312	F236-F256 HydrophobicContact CE1-CD1 4.19Å; F236-F256 HydrophobicContact CE1-CE1 4.29Å; F236-F256 HydrophobicContact CZ-CD1 4.1Å; F236-F256 HydrophobicContact CZ-CE1 4.2Å; V244-F256 CarbonylContact O-C 3.51Å; V244-F256 VanDerWaalsContact O-CA 3.29Å; V244-F256 WeakPolarHBondContact O-CA 3.13Å; V245-F256 HydrophobicContact CB-CD1 3.79Å; V245-F256 HydrophobicContact CB-CE1 3.66Å; V245-F256 HydrophobicContact CB-CG 4.47Å; V245-F256 HydrophobicContact CB-CZ 4.26Å; V245-F256 HydrophobicContact CG1-CE1 4.49Å; V245-F256 HydrophobicContact CG2-CD1 3.85Å; V245-F256 HydrophobicContact CG2-CD2 4.33Å; V245-F256 HydrophobicContact CG2-CE1 3.48Å; V245-F256 VanDerWaalsContact CG2-CE1 3.48Å; V245-F256 HydrophobicContact CG2-CE2 3.98Å; V245-F256 HydrophobicContact CG2-CG 4.25Å; V245-F256 HydrophobicContact CG2-CZ 3.54Å; C254-F256 HydrophobicContact CB-CE2 3.96Å; C254-F256 HydrophobicContact CB-CZ 4.43Å; F256-N268 PolarHBondContact O-OD1 2.81Å; F256-F269 HydrophobicContact CB-CB 4.26Å; F256-F269 HydrophobicContact CB-CD1 3.9Å; F256-F269 PolarHBondContact O-N 2.65Å; F256-D270 WeakPolarHBondContact CA-O 3.21Å; F256-D270 VanDerWaalsContact CB-O 3.28Å; F256-D270 WeakPolarHBondContact CB-O 3.33Å; F256-D270 WeakPolarHBondContact CD2-O 3.43Å; F256-D270 PolarHBondContact N-O 2.87Å; F256-D270 PolarHBondContact O-N 2.9Å; F256-I272 HydrophobicContact CE2-CB 4.46Å; F256-I272 HydrophobicContact CE2-CD1 3.72Å; F256-I272 HydrophobicContact CE2-CG1 3.83Å; F256-I272 HydrophobicContact CZ-CD1 3.82Å; F256-I272 HydrophobicContact CZ-CG1 4.43Å; F256-I291 HydrophobicContact CE1-CD1 3.57Å; F256-I291 HydrophobicContact CE1-CG1 4.01Å; F256-I291 HydrophobicContact CZ-CB 4.47Å; F256-I291 HydrophobicContact CZ-CD1 3.8Å; F256-I291 HydrophobicContact CZ-CG1 3.72Å; F256-I291 HydrophobicContact CZ-CG2 4.1Å; F256-F312 HydrophobicContact CD1-CE2 4.34Å; F256-F312 HydrophobicContact CD1-CZ 4.19Å; F256-F312 AromaticContact CD2-CE2 3.93Å; F256-F312 HydrophobicContact CD2-CE2 3.93Å; F256-F312 HydrophobicContact CD2-CZ 4.5Å; F256-F312 HydrophobicContact CE1-CE2 4.22Å; F256-F312 AromaticContact CE1-CZ 3.83Å; F256-F312 HydrophobicContact CE1-CZ 3.83Å; F256-F312 HydrophobicContact CE2-CD2 4.33Å; F256-F312 AromaticContact CE2-CE2 3.82Å; F256-F312 HydrophobicContact CE2-CE2 3.82Å; F256-F312 HydrophobicContact CE2-CZ 4.19Å; F256-F312 HydrophobicContact CG-CE2 4.21Å; F256-F312 HydrophobicContact CZ-CE1 4.46Å; F256-F312 AromaticContact CZ-CE2 3.97Å; F256-F312 HydrophobicContact CZ-CE2 3.97Å; F256-F312 AromaticContact CZ-CZ 3.84Å; F256-F312 HydrophobicContact CZ-CZ 3.84Å
257	L	96.9	Very high	94.1	Very high	10 Å²	10	47.6 Å²	47.6	5%	0.052	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	147	171.3	-51	-174.1	0	0	0	110.2	L226 Y243 V244 F246 F266 R267 N268	L226-L257 HydrophobicContact CD1-CD1 3.93Å; L226-L257 HydrophobicContact CD2-CD1 4.38Å; Y243-L257 WeakPolarHBondContact CA-O 3.44Å; V244-L257 HydrophobicContact CB-CB 4.44Å; V244-L257 PolarHBondContact N-O 3.37Å; V244-L257 PolarHBondContact O-N 3.39Å; F246-L257 HydrophobicContact CD2-CD1 4.27Å; F246-L257 HydrophobicContact CD2-CG 4.34Å; F246-L257 HydrophobicContact CE2-CD1 3.67Å; F246-L257 HydrophobicContact CE2-CG 4.12Å; L257-F266 HydrophobicContact CB-CB 4.22Å; L257-F266 HydrophobicContact CB-CD1 4.42Å; L257-F266 HydrophobicContact CD1-CB 3.89Å; L257-R267 CarbonylContact C-O 3.48Å; L257-R267 WeakPolarHBondContact CA-O 3.46Å; L257-R267 WeakPolarHBondContact CB-O 3.32Å; L257-N268 HydrophobicContact CD2-CB 4.41Å
258	E	94.7	Very high	93.9	Very high	34 Å²	34	51.7 Å²	51.7	16%	0.159	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	158.7	167.9	69	-173.7	164.2	0	0	110.3	Y243 F266 R267 F269	Y243-E258 HydrophobicContact CD1-CB 3.8Å; Y243-E258 HydrophobicContact CE1-CB 3.77Å; E258-F266 WeakPolarHBondContact O-CA 3.5Å; E258-R267 HydrophobicContact CG-CG 4.06Å; E258-R267 PolarHBondContact N-O 2.67Å; E258-R267 PolarHBondContact O-N 2.76Å; E258-R267 IonicContact OE1-CZ 3.45Å; E258-R267 IonicContact OE1-NE 3.82Å; E258-R267 IonicContact OE1-NH1 2.69Å; E258-R267 PolarHBondContact OE1-NH1 2.9Å; E258-R267 IonicContact OE1-NH2 3.41Å; E258-R267 PolarHBondContact OE1-NH2 2.84Å; E258-F269 HydrophobicContact CB-CB 3.99Å; E258-F269 HydrophobicContact CB-CG 4.45Å; E258-F269 VanDerWaalsContact CD-CD2 3.47Å; E258-F269 HydrophobicContact CG-CB 3.95Å; E258-F269 HydrophobicContact CG-CD2 4.33Å; E258-F269 VanDerWaalsContact OE2-CD2 3.24Å; E258-F269 WeakPolarHBondContact OE2-CD2 3.5Å
259	W	94	Very high	93.7	Very high	15 Å²	15	53.9 Å²	53.9	6%	0.057	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	126.7	176.8	-178.4	-103.6	0	0	0	111.3	Y223 H261 M264 F266 I518 F523	Y223-W259 HydrophobicContact CE1-CH2 4.37Å; Y223-W259 HydrophobicContact CE1-CZ3 4.33Å; W259-H261 AromaticContact CD1-CD2 3.86Å; W259-H261 AromaticContact CD1-CE1 3.52Å; W259-H261 AromaticContact CD1-CG 3.67Å; W259-H261 AromaticContact CD1-ND1 3.44Å; W259-H261 AromaticContact CD1-NE2 3.77Å; W259-H261 AromaticContact NE1-CG 4Å; W259-H261 AromaticContact NE1-ND1 3.63Å; W259-M264 VanDerWaalsContact CH2-C 3.49Å; W259-M264 HydrophobicContact CH2-CB 4.4Å; W259-M264 WeakPolarHBondContact CH2-O 3.46Å; W259-M264 HydrophobicContact CZ2-CB 4.15Å; W259-M264 HydrophobicContact CZ2-SD 3.86Å; W259-F266 HydrophobicContact CE3-CD1 4.31Å; W259-F266 AromaticContact CE3-CD2 3.97Å; W259-F266 HydrophobicContact CE3-CD2 3.97Å; W259-F266 HydrophobicContact CE3-CE1 4.13Å; W259-F266 AromaticContact CE3-CE2 3.77Å; W259-F266 HydrophobicContact CE3-CE2 3.77Å; W259-F266 HydrophobicContact CE3-CG 4.25Å; W259-F266 AromaticContact CE3-CZ 3.86Å; W259-F266 HydrophobicContact CE3-CZ 3.86Å; W259-F266 AromaticContact CZ3-CD2 3.95Å; W259-F266 HydrophobicContact CZ3-CD2 3.95Å; W259-F266 AromaticContact CZ3-CE2 3.71Å; W259-F266 HydrophobicContact CZ3-CE2 3.71Å; W259-F266 HydrophobicContact CZ3-CZ 4.22Å; W259-I518 HydrophobicContact CB-CD1 3.94Å; W259-I518 HydrophobicContact CB-CG2 4.25Å; W259-I518 HydrophobicContact CD2-CD1 3.85Å; W259-I518 HydrophobicContact CD2-CG2 3.97Å; W259-I518 HydrophobicContact CE3-CD1 3.73Å; W259-I518 HydrophobicContact CG-CD1 3.96Å; W259-I518 HydrophobicContact CG-CG2 3.65Å; W259-F523 HydrophobicContact CE3-CE2 4.41Å; W259-F523 HydrophobicContact CH2-CE1 4.34Å; W259-F523 AromaticContact CH2-CE2 3.83Å; W259-F523 HydrophobicContact CH2-CE2 3.83Å; W259-F523 AromaticContact CH2-CZ 3.42Å; W259-F523 HydrophobicContact CH2-CZ 3.42Å; W259-F523 VanDerWaalsContact CH2-CZ 3.42Å; W259-F523 HydrophobicContact CZ2-CZ 4.32Å; W259-F523 HydrophobicContact CZ3-CE1 4.36Å; W259-F523 AromaticContact CZ3-CE2 3.76Å; W259-F523 HydrophobicContact CZ3-CE2 3.76Å; W259-F523 AromaticContact CZ3-CZ 3.62Å; W259-F523 HydrophobicContact CZ3-CZ 3.62Å
260	D	91.9	Very high	93.8	Very high	25 Å²	25	54.6 Å²	54.6	13%	0.134	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	108.1	170.1	-163.4	-51.9	0	0	0	110	V262 E263 M264 N265 R267	D260-V262 PolarHBondContact O-N 3.41Å; D260-V262 WeakPolarHBondContact OD1-CA 3.15Å; D260-V262 VanDerWaalsContact OD1-CB 3.31Å; D260-V262 WeakPolarHBondContact OD1-CB 3.15Å; D260-V262 PolarHBondContact OD1-N 3Å; D260-E263 HydrophobicContact CB-CB 4.29Å; D260-E263 PolarHBondContact OD1-N 3.27Å; D260-M264 WeakPolarHBondContact O-CA 3.44Å; D260-M264 PolarHBondContact O-N 3.05Å; D260-N265 PolarHBondContact N-O 3.14Å; D260-N265 PolarHBondContact O-N 3.32Å; D260-R267 HydrophobicContact CB-CG 4.19Å; D260-R267 VanDerWaalsContact OD2-CD 3.23Å; D260-R267 WeakPolarHBondContact OD2-CD 3.35Å; D260-R267 IonicContact OD2-NE 3.76Å; D260-R267 PolarHBondContact OD2-NE 2.95Å
261	H	90.3	Very high	94	Very high	101 Å²	101	50.7 Å²	50.7	47%	0.468	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-13.2	178.7	-63.3	-88.3	0	0	0	113.8	W259 D519	W259-H261 AromaticContact CD1-CD2 3.86Å; W259-H261 AromaticContact CD1-CE1 3.52Å; W259-H261 AromaticContact CD1-CG 3.67Å; W259-H261 AromaticContact CD1-ND1 3.44Å; W259-H261 AromaticContact CD1-NE2 3.77Å; W259-H261 AromaticContact NE1-CG 4Å; W259-H261 AromaticContact NE1-ND1 3.63Å; H261-D519 IonicContact CE1-OD1 3.07Å; H261-D519 IonicContact CE1-OD2 3.81Å; H261-D519 PolarHBondContact CE1-OD2 3.14Å; H261-D519 IonicContact ND1-OD2 3.92Å; H261-D519 PolarHBondContact ND1-OD2 3.38Å
262	V	91.3	Very high	94.2	Very high	134 Å²	134	46.5 Å²	46.5	81%	0.812	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-52.9	179.4	-177.2	0	0	0	0	110.3	D260 M264	D260-V262 PolarHBondContact O-N 3.41Å; D260-V262 WeakPolarHBondContact OD1-CA 3.15Å; D260-V262 VanDerWaalsContact OD1-CB 3.31Å; D260-V262 WeakPolarHBondContact OD1-CB 3.15Å; D260-V262 PolarHBondContact OD1-N 3Å; V262-M264 VanDerWaalsContact C-N 3.28Å
263	E	91.9	Very high	94.3	Very high	132 Å²	132	52.1 Å²	52.1	62%	0.617	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-9.7	179.1	-63.5	-166.7	168.2	0	0	113.2	D260 N265	D260-E263 HydrophobicContact CB-CB 4.29Å; D260-E263 PolarHBondContact OD1-N 3.27Å; E263-N265 VanDerWaalsContact C-N 3.3Å; E263-N265 WeakPolarHBondContact CB-ND2 3.16Å; E263-N265 PolarHBondContact O-N 2.93Å; E263-N265 PolarHBondContact OE2-ND2 2.84Å
264	M	91.9	Very high	94.1	Very high	88 Å²	88	50.4 Å²	50.4	43%	0.433	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	43.2	-176.2	-62.5	-71.9	-172.9	0	0	111.6	Y223 W259 D260 V262	Y223-M264 PolarHBondContact OH-O 3.04Å; W259-M264 VanDerWaalsContact CH2-C 3.49Å; W259-M264 HydrophobicContact CH2-CB 4.4Å; W259-M264 WeakPolarHBondContact CH2-O 3.46Å; W259-M264 HydrophobicContact CZ2-CB 4.15Å; W259-M264 HydrophobicContact CZ2-SD 3.86Å; D260-M264 WeakPolarHBondContact O-CA 3.44Å; D260-M264 PolarHBondContact O-N 3.05Å; V262-M264 VanDerWaalsContact C-N 3.28Å
265	N	93.3	Very high	93.6	Very high	39 Å²	39	54.7 Å²	54.7	21%	0.209	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	166.6	-178.5	69.1	26.1	0	0	0	112	D260 E263	D260-N265 PolarHBondContact N-O 3.14Å; D260-N265 PolarHBondContact O-N 3.32Å; E263-N265 VanDerWaalsContact C-N 3.3Å; E263-N265 WeakPolarHBondContact CB-ND2 3.16Å; E263-N265 PolarHBondContact O-N 2.93Å; E263-N265 PolarHBondContact OE2-ND2 2.84Å
266	F	93.3	Very high	93.3	Very high	7 Å²	7	56.6 Å²	56.6	3%	0.031	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	120.8	168.5	-71	-87	0	0	0	109.4	Q224 V244 L257 E258 W259 V516 I518 F523 L525 I535	Q224-F266 PolarHBondContact NE2-O 2.88Å; V244-F266 HydrophobicContact CG2-CD1 4.1Å; V244-F266 HydrophobicContact CG2-CE1 3.67Å; V244-F266 HydrophobicContact CG2-CZ 4.5Å; L257-F266 HydrophobicContact CB-CB 4.22Å; L257-F266 HydrophobicContact CB-CD1 4.42Å; L257-F266 HydrophobicContact CD1-CB 3.89Å; E258-F266 WeakPolarHBondContact O-CA 3.5Å; W259-F266 HydrophobicContact CE3-CD1 4.31Å; W259-F266 AromaticContact CE3-CD2 3.97Å; W259-F266 HydrophobicContact CE3-CD2 3.97Å; W259-F266 HydrophobicContact CE3-CE1 4.13Å; W259-F266 AromaticContact CE3-CE2 3.77Å; W259-F266 HydrophobicContact CE3-CE2 3.77Å; W259-F266 HydrophobicContact CE3-CG 4.25Å; W259-F266 AromaticContact CE3-CZ 3.86Å; W259-F266 HydrophobicContact CE3-CZ 3.86Å; W259-F266 AromaticContact CZ3-CD2 3.95Å; W259-F266 HydrophobicContact CZ3-CD2 3.95Å; W259-F266 AromaticContact CZ3-CE2 3.71Å; W259-F266 HydrophobicContact CZ3-CE2 3.71Å; W259-F266 HydrophobicContact CZ3-CZ 4.22Å; F266-V516 HydrophobicContact CZ-CG1 3.94Å; F266-I518 HydrophobicContact CE1-CD1 3.68Å; F266-I518 HydrophobicContact CE2-CD1 4.47Å; F266-I518 HydrophobicContact CZ-CD1 3.46Å; F266-I518 VanDerWaalsContact CZ-CD1 3.46Å; F266-F523 HydrophobicContact CE2-CD2 4.23Å; F266-F523 HydrophobicContact CE2-CG 4.19Å; F266-F523 HydrophobicContact CZ-CD2 4.22Å; F266-F523 HydrophobicContact CZ-CG 4.48Å; F266-L525 HydrophobicContact CZ-CD2 4.42Å; F266-I535 HydrophobicContact CB-CD1 4.16Å; F266-I535 HydrophobicContact CD2-CD1 3.37Å; F266-I535 HydrophobicContact CD2-CG2 4.43Å; F266-I535 HydrophobicContact CE2-CD1 3.93Å; F266-I535 HydrophobicContact CE2-CG2 4.09Å; F266-I535 HydrophobicContact CG-CD1 3.91Å
267	R	92.1	Very high	93.2	Very high	104 Å²	104	56.7 Å²	56.7	39%	0.392	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	157.3	178	69.2	174.4	175.2	76	8.8	112	L257 E258 D260 F269	L257-R267 CarbonylContact C-O 3.48Å; L257-R267 WeakPolarHBondContact CA-O 3.46Å; L257-R267 WeakPolarHBondContact CB-O 3.32Å; E258-R267 HydrophobicContact CG-CG 4.06Å; E258-R267 PolarHBondContact N-O 2.67Å; E258-R267 PolarHBondContact O-N 2.76Å; E258-R267 IonicContact OE1-CZ 3.45Å; E258-R267 IonicContact OE1-NE 3.82Å; E258-R267 IonicContact OE1-NH1 2.69Å; E258-R267 PolarHBondContact OE1-NH1 2.9Å; E258-R267 IonicContact OE1-NH2 3.41Å; E258-R267 PolarHBondContact OE1-NH2 2.84Å; D260-R267 HydrophobicContact CB-CG 4.19Å; D260-R267 VanDerWaalsContact OD2-CD 3.23Å; D260-R267 WeakPolarHBondContact OD2-CD 3.35Å; D260-R267 IonicContact OD2-NE 3.76Å; D260-R267 PolarHBondContact OD2-NE 2.95Å; R267-F269 PolarHBondContact O-N 3.47Å
268	N	93.4	Very high	93.2	Very high	86 Å²	86	56.7 Å²	56.7	46%	0.46	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	128.5	178.4	-160.5	55.8	0	0	0	110.5	F256 L257 D271	F256-N268 PolarHBondContact O-OD1 2.81Å; L257-N268 HydrophobicContact CD2-CB 4.41Å; N268-D271 PolarHBondContact ND2-OD2 2.84Å
269	F	91.8	Very high	93.3	Very high	50 Å²	50	55.7 Å²	55.7	22%	0.219	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	-55.7	176.7	169.5	-114.6	0	0	0	111	Y243 F256 E258 R267	Y243-F269 HydrophobicContact CD1-CD1 4.11Å; Y243-F269 HydrophobicContact CD1-CE1 4.4Å; Y243-F269 HydrophobicContact CD1-CG 4.26Å; Y243-F269 HydrophobicContact CE1-CD1 4.08Å; Y243-F269 HydrophobicContact CE1-CD2 4.04Å; Y243-F269 HydrophobicContact CE1-CE1 4.1Å; Y243-F269 HydrophobicContact CE1-CE2 4.05Å; Y243-F269 HydrophobicContact CE1-CG 4.04Å; Y243-F269 HydrophobicContact CE1-CZ 4.07Å; F256-F269 HydrophobicContact CB-CB 4.26Å; F256-F269 HydrophobicContact CB-CD1 3.9Å; F256-F269 PolarHBondContact O-N 2.65Å; E258-F269 HydrophobicContact CB-CB 3.99Å; E258-F269 HydrophobicContact CB-CG 4.45Å; E258-F269 VanDerWaalsContact CD-CD2 3.47Å; E258-F269 HydrophobicContact CG-CB 3.95Å; E258-F269 HydrophobicContact CG-CD2 4.33Å; E258-F269 VanDerWaalsContact OE2-CD2 3.24Å; E258-F269 WeakPolarHBondContact OE2-CD2 3.5Å; R267-F269 PolarHBondContact O-N 3.47Å
270	D	94.9	Very high	93.5	Very high	42 Å²	42	55 Å²	55	23%	0.225	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	172.3	-178.6	-155.7	-5	0	0	0	110.2	F256 R305 F312	F256-D270 WeakPolarHBondContact CA-O 3.21Å; F256-D270 VanDerWaalsContact CB-O 3.28Å; F256-D270 WeakPolarHBondContact CB-O 3.33Å; F256-D270 WeakPolarHBondContact CD2-O 3.43Å; F256-D270 PolarHBondContact N-O 2.87Å; F256-D270 PolarHBondContact O-N 2.9Å; D270-R305 IonicContact OD2-CZ 3.73Å; D270-R305 IonicContact OD2-NH1 2.67Å; D270-R305 PolarHBondContact OD2-NH1 2.78Å; D270-R305 IonicContact OD2-NH2 3.96Å; D270-F312 HydrophobicContact CB-CD2 4.4Å; D270-F312 HydrophobicContact CB-CE2 4.11Å; D270-F312 WeakPolarHBondContact OD2-CD2 3.49Å
271	D	96.3	Very high	93.9	Very high	48 Å²	48	54.5 Å²	54.5	26%	0.257	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	147.3	179.7	-69.8	-56.4	0	0	0	111.2	K253 C254 G255 N268	K253-D271 HydrophobicContact CD-CB 4.21Å; K253-D271 WeakPolarHBondContact CD-OD1 3.3Å; K253-D271 VanDerWaalsContact CE-OD1 3.29Å; K253-D271 WeakPolarHBondContact CE-OD1 3.28Å; K253-D271 IonicContact NZ-OD1 2.6Å; K253-D271 PolarHBondContact NZ-OD1 2.85Å; K253-D271 IonicContact NZ-OD2 2.81Å; K253-D271 PolarHBondContact NZ-OD2 2.94Å; C254-D271 WeakPolarHBondContact O-CA 3.49Å; G255-D271 VanDerWaalsContact CA-OD1 3.26Å; G255-D271 WeakPolarHBondContact CA-OD1 3.46Å; N268-D271 PolarHBondContact ND2-OD2 2.84Å
272	I	97.4	Very high	94.2	Very high	5 Å²	5	50.4 Å²	50.4	3%	0.026	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	117.8	164.4	-62.5	167.5	0	0	0	108.3	K253 C254 F256 S274 I291 V293 Y303 F312	K253-I272 CarbonylContact C-O 3.57Å; K253-I272 WeakPolarHBondContact CA-O 3.41Å; K253-I272 WeakPolarHBondContact CB-O 3.42Å; C254-I272 HydrophobicContact CB-CB 4.13Å; C254-I272 PolarHBondContact N-O 3.17Å; C254-I272 PolarHBondContact O-N 2.86Å; F256-I272 HydrophobicContact CE2-CB 4.46Å; F256-I272 HydrophobicContact CE2-CD1 3.72Å; F256-I272 HydrophobicContact CE2-CG1 3.83Å; F256-I272 HydrophobicContact CZ-CD1 3.82Å; F256-I272 HydrophobicContact CZ-CG1 4.43Å; I272-S274 PolarHBondContact O-N 3.39Å; I272-I291 HydrophobicContact CD1-CB 4.06Å; I272-I291 HydrophobicContact CD1-CG1 4.14Å; I272-I291 HydrophobicContact CD1-CG2 4.13Å; I272-V293 HydrophobicContact CD1-CG2 4.43Å; I272-V293 HydrophobicContact CG2-CG2 4.42Å; I272-Y303 HydrophobicContact CD1-CD1 4.3Å; I272-Y303 HydrophobicContact CD1-CD2 4.36Å; I272-Y303 HydrophobicContact CD1-CG 3.96Å; I272-Y303 HydrophobicContact CG1-CD1 4.45Å; I272-Y303 HydrophobicContact CG2-CD1 3.96Å; I272-Y303 HydrophobicContact CG2-CD2 4.04Å; I272-Y303 HydrophobicContact CG2-CE1 3.63Å; I272-Y303 HydrophobicContact CG2-CE2 3.74Å; I272-Y303 HydrophobicContact CG2-CG 4.16Å; I272-F312 HydrophobicContact CD1-CB 3.95Å; I272-F312 HydrophobicContact CD1-CD1 4Å; I272-F312 HydrophobicContact CD1-CD2 4.03Å; I272-F312 HydrophobicContact CD1-CG 3.73Å; I272-F312 HydrophobicContact CG1-CB 3.76Å; I272-F312 HydrophobicContact CG1-CD2 3.81Å; I272-F312 HydrophobicContact CG1-CG 3.8Å
273	D	96	Very high	94.5	Very high	134 Å²	134	44.6 Å²	44.6	72%	0.717	23%	0.229	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-63.2	124.2	173.2	-66.5	-35	0	0	0	110.4
274	S	92.3	Very high	94.8	Very high	4 Å²	4	40.4 Å²	40.4	3%	0.028	21%	0.212	C	C	.	.			trans	-159.1	108	-175.5	174.3	0	0	0	0	110.4	G252 K253 I272 T277 V293 Q295	G252-S274 CarbonylContact C-O 3.56Å; G252-S274 WeakPolarHBondContact CA-O 3.19Å; G252-S274 CarbonylContact O-C 3.3Å; G252-S274 VanDerWaalsContact O-C 3.3Å; G252-S274 PolarHBondContact O-N 2.91Å; K253-S274 PolarHBondContact N-O 2.87Å; I272-S274 PolarHBondContact O-N 3.39Å; S274-T277 WeakPolarHBondContact CB-OG1 3.34Å; S274-T277 PolarHBondContact O-OG1 3.18Å; S274-T277 PolarHBondContact OG-OG1 3.02Å; S274-V293 WeakPolarHBondContact OG-CG1 3.3Å; S274-Q295 WeakPolarHBondContact OG-CG 3.4Å; S274-Q295 PolarHBondContact OG-NE2 2.79Å; S274-Q295 VanDerWaalsContact OG-NE2 3.15Å
275	T	87.5	Confident	95	Very high	90 Å²	90	36.4 Å²	36.4	55%	0.552	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.6	132.5	178.3	52.1	0	0	0	0	110.3	T277 Q295	T275-T277 VanDerWaalsContact C-N 3.3Å; T275-T277 PolarHBondContact O-N 3.02Å; T275-Q295 PolarHBondContact O-NE2 2.88Å
276	S	91.3	Very high	94.9	Very high	41 Å²	41	41 Å²	41	29%	0.287	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	41.7	176.3	-51.6	0	0	0	0	114.4	L296 F297	S276-L296 PolarHBondContact O-N 2.88Å; S276-F297 WeakPolarHBondContact OG-CD2 3.47Å
277	T	95.5	Very high	94.8	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.006	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	134.2	174.2	-41	0	0	0	0	111.5	A247 S274 T275 C280 V293	A247-T277 HydrophobicContact CB-CG2 4Å; S274-T277 WeakPolarHBondContact CB-OG1 3.34Å; S274-T277 PolarHBondContact O-OG1 3.18Å; S274-T277 PolarHBondContact OG-OG1 3.02Å; T275-T277 VanDerWaalsContact C-N 3.3Å; T275-T277 PolarHBondContact O-N 3.02Å; T277-C280 VanDerWaalsContact CG2-SG 3.51Å; T277-V293 HydrophobicContact CG2-CG1 3.93Å
278	V	96.3	Very high	95	Very high	11 Å²	11	44 Å²	44	7%	0.067	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	-44.4	172.3	-170.1	0	0	0	0	110	I231 A294 L296	I231-V278 HydrophobicContact CD1-CG1 4.41Å; I231-V278 WeakPolarHBondContact CG2-O 3.19Å; V278-A294 PolarHBondContact N-O 2.91Å; V278-L296 HydrophobicContact CG2-CD1 4.08Å; V278-L296 HydrophobicContact CG2-CD2 3.87Å; V278-L296 HydrophobicContact CG2-CG 3.52Å
279	I	97.7	Very high	95.1	Very high	13 Å²	13	40 Å²	40	7%	0.067	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	140.7	-177.8	-68.1	175.2	0	0	0	110.5	K281 A294 N327 D328 V329	I279-K281 HydrophobicContact CG2-CB 3.93Å; I279-A294 HydrophobicContact CB-CB 4.26Å; I279-A294 PolarHBondContact N-O 3.36Å; I279-A294 PolarHBondContact O-N 2.8Å; I279-N327 WeakPolarHBondContact CD1-O 3.22Å; I279-D328 HydrophobicContact CD1-CB 4.4Å; I279-V329 HydrophobicContact CB-CG2 4.23Å; I279-V329 HydrophobicContact CD1-CG2 4.39Å; I279-V329 HydrophobicContact CG2-CB 4.06Å; I279-V329 HydrophobicContact CG2-CG2 4.07Å
280	C	98.2	Very high	95.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	91.8	167.8	-48.5	0	0	0	0	107.6	V245 C254 T277 P282 I291 I292	V245-C280 HydrophobicContact CG1-CB 4.38Å; V245-C280 VanDerWaalsContact CG1-O 3.29Å; V245-C280 WeakPolarHBondContact CG1-O 3.32Å; V245-C280 HydrophobicContact CG2-CB 3.53Å; C254-C280 VanDerWaalsContact CA-SG 3.57Å; C254-C280 HydrophobicContact CB-CB 3.81Å; C254-C280 WeakPolarHBondContact CB-SG 3.36Å; C254-C280 WeakPolarHBondContact SG-CB 3.45Å; C254-C280 CovalentContact SG-SG 2.03Å; C254-C280 PolarHBondContact SG-SG 3.29Å; T277-C280 VanDerWaalsContact CG2-SG 3.51Å; C280-P282 WeakPolarHBondContact O-CD 3.39Å; C280-I291 HydrophobicContact CB-CG2 4.31Å; C280-I292 WeakPolarHBondContact CA-O 3.07Å
281	K	98.4	Very high	95.6	Very high	14 Å²	14	35.7 Å²	35.7	6%	0.061	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	116.9	-174.4	-166.3	74.3	168.9	-159.9	0	110.1	E234 I279 I292 V329 E330 T331	E234-K281 HydrophobicContact CG-CD 4.25Å; E234-K281 VanDerWaalsContact OE1-CD 3.3Å; E234-K281 WeakPolarHBondContact OE1-CD 3.46Å; E234-K281 WeakPolarHBondContact OE1-CE 3.35Å; E234-K281 IonicContact OE1-NZ 3.61Å; E234-K281 PolarHBondContact OE1-NZ 2.85Å; I279-K281 HydrophobicContact CG2-CB 3.93Å; K281-I292 HydrophobicContact CB-CB 4.33Å; K281-I292 HydrophobicContact CB-CD1 4.46Å; K281-I292 PolarHBondContact N-O 2.94Å; K281-I292 PolarHBondContact O-N 3.1Å; K281-V329 HydrophobicContact CB-CB 4.05Å; K281-V329 HydrophobicContact CB-CG1 3.82Å; K281-V329 VanDerWaalsContact CD-O 3.29Å; K281-V329 WeakPolarHBondContact CD-O 3.16Å; K281-V329 WeakPolarHBondContact CE-O 3.4Å; K281-V329 HydrophobicContact CG-CB 4.33Å; K281-V329 HydrophobicContact CG-CG1 4Å; K281-V329 PolarHBondContact NZ-O 3.5Å; K281-E330 IonicContact NZ-OE1 2.65Å; K281-E330 PolarHBondContact NZ-OE1 2.79Å; K281-E330 IonicContact NZ-OE2 2.67Å; K281-E330 PolarHBondContact NZ-OE2 3.44Å; K281-T331 HydrophobicContact CG-CG2 3.69Å
282	P	98.3	Very high	95.7	Very high	15 Å²	15	33.4 Å²	33.4	10%	0.097	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	143.1	175.2	30.8	-33	0	0	0	110.9	E234 F236 V245 C280 L289 I291	E234-P282 HydrophobicContact CB-CG 4.07Å; F236-P282 HydrophobicContact CB-CB 3.96Å; F236-P282 HydrophobicContact CB-CG 3.71Å; F236-P282 HydrophobicContact CD1-CB 3.67Å; F236-P282 HydrophobicContact CD1-CG 3.64Å; F236-P282 HydrophobicContact CD2-CB 4.03Å; F236-P282 HydrophobicContact CE1-CB 4.13Å; F236-P282 HydrophobicContact CE1-CG 4.43Å; F236-P282 HydrophobicContact CE2-CB 4.46Å; F236-P282 HydrophobicContact CG-CB 3.61Å; F236-P282 HydrophobicContact CG-CG 3.75Å; F236-P282 HydrophobicContact CZ-CB 4.5Å; V245-P282 HydrophobicContact CG1-CG 4.36Å; C280-P282 WeakPolarHBondContact O-CD 3.39Å; P282-L289 HydrophobicContact CB-CD1 4.36Å; P282-I291 HydrophobicContact CB-CD1 4.04Å
283	L	97.7	Very high	95.8	Very high	13 Å²	13	33.1 Å²	33.1	7%	0.068	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	117.2	176	176	56.2	0	0	0	109.2	I285 F290 I292 T331 F340 F361	L283-I285 HydrophobicContact CD1-CG1 4.21Å; L283-I285 HydrophobicContact CD2-CD1 4.06Å; L283-I285 HydrophobicContact CG-CD1 4.11Å; L283-I285 HydrophobicContact CG-CG1 4.03Å; L283-F290 HydrophobicContact CB-CB 4.47Å; L283-F290 PolarHBondContact N-O 3.05Å; L283-F290 PolarHBondContact O-N 2.82Å; L283-I292 HydrophobicContact CB-CD1 4.23Å; L283-I292 HydrophobicContact CD2-CD1 4.14Å; L283-T331 HydrophobicContact CB-CG2 4.31Å; L283-T331 HydrophobicContact CD1-CG2 4.26Å; L283-F340 HydrophobicContact CD2-CD1 4.31Å; L283-F361 HydrophobicContact CD2-CE1 3.64Å; L283-F361 HydrophobicContact CD2-CZ 3.48Å; L283-F361 VanDerWaalsContact CD2-CZ 3.48Å
284	V	96.5	Very high	95.8	Very high	43 Å²	43	26.8 Å²	26.8	26%	0.261	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	124.2	177.7	-177.3	0	0	0	0	109.5	F238 Q288 L289 R333	F238-V284 HydrophobicContact CD2-CG1 4.35Å; F238-V284 HydrophobicContact CD2-CG2 4.27Å; V284-Q288 WeakPolarHBondContact CA-O 3.41Å; V284-L289 HydrophobicContact CG2-CD1 3.92Å; V284-R333 PolarHBondContact O-NH2 2.8Å
285	I	96.1	Very high	96	Very high	5 Å²	5	27.1 Å²	27.1	3%	0.026	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	125.1	176.4	-53.3	175.5	0	0	0	107.3	L283 N287 Q288 F290 W356 F361	L283-I285 HydrophobicContact CD1-CG1 4.21Å; L283-I285 HydrophobicContact CD2-CD1 4.06Å; L283-I285 HydrophobicContact CG-CD1 4.11Å; L283-I285 HydrophobicContact CG-CG1 4.03Å; I285-N287 VanDerWaalsContact C-N 3.25Å; I285-N287 PolarHBondContact O-N 3.38Å; I285-N287 VanDerWaalsContact O-N 3.15Å; I285-Q288 PolarHBondContact N-O 2.83Å; I285-Q288 WeakPolarHBondContact O-CA 3.36Å; I285-Q288 WeakPolarHBondContact O-CB 3.33Å; I285-Q288 PolarHBondContact O-N 2.9Å; I285-F290 HydrophobicContact CB-CE2 4.11Å; I285-F290 HydrophobicContact CD1-CD2 4.47Å; I285-F290 HydrophobicContact CD1-CE2 4.45Å; I285-F290 HydrophobicContact CG1-CD2 4.45Å; I285-F290 HydrophobicContact CG1-CE2 4.46Å; I285-W356 HydrophobicContact CD1-CB 4.05Å; I285-W356 HydrophobicContact CD1-CD2 3.94Å; I285-W356 HydrophobicContact CD1-CE3 4.35Å; I285-W356 HydrophobicContact CD1-CG 3.8Å; I285-F361 HydrophobicContact CD1-CE1 3.99Å; I285-F361 HydrophobicContact CD1-CZ 3.62Å
286	D	92.4	Very high	96.3	Very high	136 Å²	136	26.4 Å²	26.4	73%	0.727	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.2	45.2	177.1	-53.1	-33	0	0	0	113.9	Q288	D286-Q288 PolarHBondContact O-N 2.78Å
287	N	91.4	Very high	96.3	Very high	95 Å²	95	31.2 Å²	31.2	51%	0.508	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	21.2	-177.2	-159.5	36.7	0	0	0	114.9	F238 I285	F238-N287 WeakPolarHBondContact CE2-O 3.39Å; I285-N287 VanDerWaalsContact C-N 3.25Å; I285-N287 PolarHBondContact O-N 3.38Å; I285-N287 VanDerWaalsContact O-N 3.15Å
288	Q	95.2	Very high	96	Very high	77 Å²	77	34.4 Å²	34.4	36%	0.36	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	135.3	167.4	-58.5	-174.3	-2.1	0	0	109.5	V284 I285 D286 F290	V284-Q288 WeakPolarHBondContact CA-O 3.41Å; I285-Q288 PolarHBondContact N-O 2.83Å; I285-Q288 WeakPolarHBondContact O-CA 3.36Å; I285-Q288 WeakPolarHBondContact O-CB 3.33Å; I285-Q288 PolarHBondContact O-N 2.9Å; D286-Q288 PolarHBondContact O-N 2.78Å; Q288-F290 HydrophobicContact CB-CE2 3.73Å; Q288-F290 HydrophobicContact CB-CZ 4.09Å
289	L	97.1	Very high	95.8	Very high	4 Å²	4	34.4 Å²	34.4	2%	0.021	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	126.2	178.7	174.6	65.2	0	0	0	110.3	F236 F238 P282 V284 I291 K304 R305 F312	F236-L289 HydrophobicContact CD2-CD1 4.04Å; F236-L289 HydrophobicContact CE2-CD1 3.64Å; F236-L289 HydrophobicContact CE2-CD2 3.72Å; F236-L289 HydrophobicContact CE2-CG 4.35Å; F236-L289 HydrophobicContact CZ-CD1 4.36Å; F236-L289 HydrophobicContact CZ-CD2 4.1Å; F238-L289 HydrophobicContact CD1-CB 4.41Å; F238-L289 HydrophobicContact CD1-CD2 4.23Å; F238-L289 HydrophobicContact CD2-CB 3.8Å; F238-L289 HydrophobicContact CE1-CB 4.26Å; F238-L289 HydrophobicContact CE2-CB 3.63Å; F238-L289 HydrophobicContact CG-CB 4.19Å; F238-L289 HydrophobicContact CG-CD2 4.31Å; F238-L289 HydrophobicContact CZ-CB 3.87Å; P282-L289 HydrophobicContact CB-CD1 4.36Å; V284-L289 HydrophobicContact CG2-CD1 3.92Å; L289-I291 HydrophobicContact CD1-CD1 3.92Å; L289-I291 HydrophobicContact CD2-CD1 4.39Å; L289-I291 HydrophobicContact CG-CD1 4.12Å; L289-K304 WeakPolarHBondContact O-CA 3.19Å; L289-R305 HydrophobicContact CB-CB 3.83Å; L289-R305 HydrophobicContact CD2-CB 4.13Å; L289-R305 HydrophobicContact CD2-CG 4.49Å; L289-R305 HydrophobicContact CG-CB 4.24Å; L289-R305 PolarHBondContact O-N 2.75Å; L289-F312 HydrophobicContact CD2-CE1 3.96Å; L289-F312 HydrophobicContact CD2-CZ 4.02Å; L289-F312 HydrophobicContact CG-CE1 4.37Å
290	F	98.1	Very high	95.8	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	146.6	171.1	-56.3	-92.3	0	0	0	109.7	L283 I285 Q288 Y303 K304 L315 W356 F361	L283-F290 HydrophobicContact CB-CB 4.47Å; L283-F290 PolarHBondContact N-O 3.05Å; L283-F290 PolarHBondContact O-N 2.82Å; I285-F290 HydrophobicContact CB-CE2 4.11Å; I285-F290 HydrophobicContact CD1-CD2 4.47Å; I285-F290 HydrophobicContact CD1-CE2 4.45Å; I285-F290 HydrophobicContact CG1-CD2 4.45Å; I285-F290 HydrophobicContact CG1-CE2 4.46Å; Q288-F290 HydrophobicContact CB-CE2 3.73Å; Q288-F290 HydrophobicContact CB-CZ 4.09Å; F290-Y303 CarbonylContact C-O 3.54Å; F290-Y303 WeakPolarHBondContact CA-O 3.45Å; F290-K304 HydrophobicContact CD1-CB 3.98Å; F290-K304 HydrophobicContact CD1-CG 4.23Å; F290-K304 HydrophobicContact CE1-CB 4.07Å; F290-K304 HydrophobicContact CE1-CD 3.83Å; F290-K304 HydrophobicContact CE1-CG 3.96Å; F290-K304 HydrophobicContact CZ-CD 4.28Å; F290-L315 HydrophobicContact CD1-CD2 4.01Å; F290-L315 HydrophobicContact CE1-CD2 3.77Å; F290-W356 AromaticContact CE1-CH2 3.88Å; F290-W356 HydrophobicContact CE1-CH2 3.88Å; F290-W356 AromaticContact CE1-CZ3 3.97Å; F290-W356 HydrophobicContact CE1-CZ3 3.97Å; F290-W356 HydrophobicContact CE2-CH2 4.41Å; F290-W356 AromaticContact CZ-CH2 3.54Å; F290-W356 HydrophobicContact CZ-CH2 3.54Å; F290-W356 HydrophobicContact CZ-CZ2 4.1Å; F290-W356 AromaticContact CZ-CZ3 3.94Å; F290-W356 HydrophobicContact CZ-CZ3 3.94Å; F290-F361 HydrophobicContact CD1-CE2 4.22Å; F290-F361 HydrophobicContact CG-CE2 4.29Å
291	I	98.4	Very high	95.7	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	120.3	175.2	-50.7	-64.8	0	0	0	107.9	F256 I272 C280 P282 L289 V293 I302 Y303 F312	F256-I291 HydrophobicContact CE1-CD1 3.57Å; F256-I291 HydrophobicContact CE1-CG1 4.01Å; F256-I291 HydrophobicContact CZ-CB 4.47Å; F256-I291 HydrophobicContact CZ-CD1 3.8Å; F256-I291 HydrophobicContact CZ-CG1 3.72Å; F256-I291 HydrophobicContact CZ-CG2 4.1Å; I272-I291 HydrophobicContact CD1-CB 4.06Å; I272-I291 HydrophobicContact CD1-CG1 4.14Å; I272-I291 HydrophobicContact CD1-CG2 4.13Å; C280-I291 HydrophobicContact CB-CG2 4.31Å; P282-I291 HydrophobicContact CB-CD1 4.04Å; L289-I291 HydrophobicContact CD1-CD1 3.92Å; L289-I291 HydrophobicContact CD2-CD1 4.39Å; L289-I291 HydrophobicContact CG-CD1 4.12Å; I291-V293 HydrophobicContact CG2-CG2 3.82Å; I291-I302 WeakPolarHBondContact O-CA 3.4Å; I291-Y303 PolarHBondContact N-O 3.15Å; I291-Y303 PolarHBondContact O-N 2.91Å; I291-F312 HydrophobicContact CD1-CE1 4.25Å; I291-F312 HydrophobicContact CG1-CD1 4.1Å; I291-F312 HydrophobicContact CG1-CE1 3.55Å; I291-F312 HydrophobicContact CG1-CZ 4.15Å
292	I	98.5	Very high	95.7	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	112.7	172.6	-58	138.7	0	0	0	107	C280 K281 L283 I318 V329 T331 F340 I342	C280-I292 WeakPolarHBondContact CA-O 3.07Å; K281-I292 HydrophobicContact CB-CB 4.33Å; K281-I292 HydrophobicContact CB-CD1 4.46Å; K281-I292 PolarHBondContact N-O 2.94Å; K281-I292 PolarHBondContact O-N 3.1Å; L283-I292 HydrophobicContact CB-CD1 4.23Å; L283-I292 HydrophobicContact CD2-CD1 4.14Å; I292-I318 HydrophobicContact CG2-CD1 4.42Å; I292-V329 HydrophobicContact CB-CG1 4.41Å; I292-V329 HydrophobicContact CD1-CG1 4.33Å; I292-V329 HydrophobicContact CG2-CG1 4Å; I292-T331 HydrophobicContact CD1-CG2 4.1Å; I292-F340 HydrophobicContact CD1-CB 3.84Å; I292-F340 HydrophobicContact CD1-CD1 3.62Å; I292-F340 HydrophobicContact CD1-CD2 4.16Å; I292-F340 HydrophobicContact CD1-CE1 4.16Å; I292-F340 HydrophobicContact CD1-CG 3.62Å; I292-F340 HydrophobicContact CG1-CD1 4.08Å; I292-F340 HydrophobicContact CG1-CE1 4.09Å; I292-F340 HydrophobicContact CG1-CG 4.31Å; I292-F340 HydrophobicContact CG1-CZ 4.37Å; I292-F340 HydrophobicContact CG2-CD2 4.48Å; I292-F340 HydrophobicContact CG2-CE2 4.26Å; I292-I342 HydrophobicContact CG2-CD1 4.29Å
293	V	98.3	Very high	95.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	102.3	-178.1	-176.6	0	0	0	0	108.3	I272 S274 T277 I291 Q295 S300 H301 Y303	I272-V293 HydrophobicContact CD1-CG2 4.43Å; I272-V293 HydrophobicContact CG2-CG2 4.42Å; S274-V293 WeakPolarHBondContact OG-CG1 3.3Å; T277-V293 HydrophobicContact CG2-CG1 3.93Å; I291-V293 HydrophobicContact CG2-CG2 3.82Å; V293-Q295 HydrophobicContact CG1-CG 3.96Å; V293-S300 WeakPolarHBondContact O-CA 3.31Å; V293-S300 WeakPolarHBondContact O-CB 3.45Å; V293-H301 PolarHBondContact N-O 2.97Å; V293-H301 PolarHBondContact O-N 2.7Å; V293-Y303 HydrophobicContact CB-CD2 4.35Å; V293-Y303 HydrophobicContact CB-CE2 4.3Å; V293-Y303 HydrophobicContact CG2-CD2 3.67Å; V293-Y303 HydrophobicContact CG2-CE2 3.96Å
294	A	97.6	Very high	95.7	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.008	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	122.4	178.1	0	0	0	0	0	110.5	V278 I279 S300 P326 V329	V278-A294 PolarHBondContact N-O 2.91Å; I279-A294 HydrophobicContact CB-CB 4.26Å; I279-A294 PolarHBondContact N-O 3.36Å; I279-A294 PolarHBondContact O-N 2.8Å; A294-S300 WeakPolarHBondContact CA-OG 3.16Å; A294-P326 HydrophobicContact CB-CB 3.87Å; A294-P326 HydrophobicContact CB-CG 3.96Å; A294-V329 HydrophobicContact CB-CG2 3.84Å
295	Q	95.8	Very high	95.7	Very high	11 Å²	11	36.4 Å²	36.4	5%	0.051	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	143	-174.5	-58.3	179.1	-109	0	0	111.4	S274 T275 V293 F297 G299 S300 H301 P326	S274-Q295 WeakPolarHBondContact OG-CG 3.4Å; S274-Q295 PolarHBondContact OG-NE2 2.79Å; S274-Q295 VanDerWaalsContact OG-NE2 3.15Å; T275-Q295 PolarHBondContact O-NE2 2.88Å; V293-Q295 HydrophobicContact CG1-CG 3.96Å; Q295-F297 WeakPolarHBondContact CB-O 3.47Å; Q295-G299 PolarHBondContact OE1-O 2.98Å; Q295-G299 VanDerWaalsContact OE1-O 3.08Å; Q295-S300 PolarHBondContact N-OG 3.28Å; Q295-H301 PolarHBondContact OE1-ND1 2.9Å; Q295-P326 WeakPolarHBondContact O-CD 3.27Å; Q295-P326 VanDerWaalsContact O-CG 3.32Å; Q295-P326 WeakPolarHBondContact O-CG 3.17Å
296	L	94.6	Very high	95.6	Very high	74 Å²	74	38.6 Å²	38.6	39%	0.387	21%	0.209	S	C	.	.	S	Bend	trans	-76.9	-27.5	173.6	-66	176.7	0	0	0	113	S276 V278 K325	S276-L296 PolarHBondContact O-N 2.88Å; V278-L296 HydrophobicContact CG2-CD1 4.08Å; V278-L296 HydrophobicContact CG2-CD2 3.87Å; V278-L296 HydrophobicContact CG2-CG 3.52Å; L296-K325 HydrophobicContact CD2-CB 4.38Å
297	F	90.9	Very high	95.5	Very high	142 Å²	142	34.8 Å²	34.8	62%	0.623	19%	0.19	S	C	*	.	S	Bend	trans	-131.4	149.7	-178	-60.5	-80.4	0	0	0	109.8	S276 Q295 G299	S276-F297 WeakPolarHBondContact OG-CD2 3.47Å; Q295-F297 WeakPolarHBondContact CB-O 3.47Å; F297-G299 PolarHBondContact O-N 3.32Å
298	G	87.9	Confident	95.5	Very high	69 Å²	69	36 Å²	36	71%	0.711	21%	0.206	S	C	*	.	S	Bend	trans	79.1	-1.3	179.5	0	0	0	0	0	115.5	H301	G298-H301 PolarHBondContact O-CE1 3.2Å
299	G	92.7	Very high	95.4	Very high	11 Å²	11	34.6 Å²	34.6	11%	0.113	21%	0.208	C	C	.	.			trans	82.6	156.3	-177.4	0	0	0	0	0	112.6	Q295 F297 H301	Q295-G299 PolarHBondContact OE1-O 2.98Å; Q295-G299 VanDerWaalsContact OE1-O 3.08Å; F297-G299 PolarHBondContact O-N 3.32Å; G299-H301 PolarHBondContact O-CE1 2.79Å; G299-H301 PolarHBondContact O-ND1 3Å; G299-H301 VanDerWaalsContact O-ND1 3.1Å
300	S	97.1	Very high	95.1	Very high	3 Å²	3	39.6 Å²	39.6	2%	0.021	24%	0.235	C	C	.	.			trans	-90	154.2	177.8	-61.2	0	0	0	0	111.1	V293 A294 Q295 I318	V293-S300 WeakPolarHBondContact O-CA 3.31Å; V293-S300 WeakPolarHBondContact O-CB 3.45Å; A294-S300 WeakPolarHBondContact CA-OG 3.16Å; Q295-S300 PolarHBondContact N-OG 3.28Å; S300-I318 WeakPolarHBondContact O-CB 3.49Å; S300-I318 PolarHBondContact O-N 3.01Å
301	H	97.4	Very high	94.9	Very high	25 Å²	25	44.9 Å²	44.9	12%	0.116	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	156.5	-169.2	-59.9	105.3	0	0	0	112.3	V293 Q295 G298 G299 Y303 K314 Q316	V293-H301 PolarHBondContact N-O 2.97Å; V293-H301 PolarHBondContact O-N 2.7Å; Q295-H301 PolarHBondContact OE1-ND1 2.9Å; G298-H301 PolarHBondContact O-CE1 3.2Å; G299-H301 PolarHBondContact O-CE1 2.79Å; G299-H301 PolarHBondContact O-ND1 3Å; G299-H301 VanDerWaalsContact O-ND1 3.1Å; H301-Y303 HydrophobicContact CB-CD2 4.27Å; H301-Y303 HydrophobicContact CB-CE2 3.66Å; H301-K314 WeakPolarHBondContact CD2-CE 3.32Å; H301-K314 PolarHBondContact CD2-NZ 3.34Å; H301-K314 PolarHBondContact NE2-NZ 3.32Å; H301-Q316 WeakPolarHBondContact CA-O 3.3Å
302	I	98.3	Very high	94.8	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	126.1	174.2	-53.3	175.8	0	0	0	107.8	I291 L315 Q316 I318 F340 F361	I291-I302 WeakPolarHBondContact O-CA 3.4Å; I302-L315 WeakPolarHBondContact O-CB 3.37Å; I302-L315 PolarHBondContact O-N 2.87Å; I302-Q316 HydrophobicContact CB-CB 4.38Å; I302-Q316 PolarHBondContact N-O 3.21Å; I302-Q316 PolarHBondContact O-N 2.81Å; I302-I318 HydrophobicContact CD1-CG1 4.45Å; I302-I318 HydrophobicContact CG1-CD1 4.16Å; I302-I318 HydrophobicContact CG1-CG1 4.26Å; I302-F340 HydrophobicContact CD1-CE1 3.95Å; I302-F340 HydrophobicContact CD1-CZ 3.87Å; I302-F361 HydrophobicContact CD1-CB 3.75Å; I302-F361 HydrophobicContact CD1-CD2 3.63Å; I302-F361 HydrophobicContact CD1-CG 3.98Å; I302-F361 HydrophobicContact CG2-CD2 4.2Å; I302-F361 HydrophobicContact CG2-CE2 4.23Å
303	Y	98.1	Very high	94.7	Very high	32 Å²	32	49.4 Å²	49.4	13%	0.125	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	149.4	175.9	-70.1	-105.7	0	0	0	109.9	I272 F290 I291 V293 H301 F312 I313 K314	I272-Y303 HydrophobicContact CD1-CD1 4.3Å; I272-Y303 HydrophobicContact CD1-CD2 4.36Å; I272-Y303 HydrophobicContact CD1-CG 3.96Å; I272-Y303 HydrophobicContact CG1-CD1 4.45Å; I272-Y303 HydrophobicContact CG2-CD1 3.96Å; I272-Y303 HydrophobicContact CG2-CD2 4.04Å; I272-Y303 HydrophobicContact CG2-CE1 3.63Å; I272-Y303 HydrophobicContact CG2-CE2 3.74Å; I272-Y303 HydrophobicContact CG2-CG 4.16Å; F290-Y303 CarbonylContact C-O 3.54Å; F290-Y303 WeakPolarHBondContact CA-O 3.45Å; I291-Y303 PolarHBondContact N-O 3.15Å; I291-Y303 PolarHBondContact O-N 2.91Å; V293-Y303 HydrophobicContact CB-CD2 4.35Å; V293-Y303 HydrophobicContact CB-CE2 4.3Å; V293-Y303 HydrophobicContact CG2-CD2 3.67Å; V293-Y303 HydrophobicContact CG2-CE2 3.96Å; H301-Y303 HydrophobicContact CB-CD2 4.27Å; H301-Y303 HydrophobicContact CB-CE2 3.66Å; Y303-F312 HydrophobicContact CD1-CB 4.25Å; Y303-I313 CarbonylContact C-O 3.4Å; Y303-I313 WeakPolarHBondContact CA-O 3.34Å; Y303-K314 HydrophobicContact CD1-CB 4.08Å; Y303-K314 HydrophobicContact CE1-CB 3.77Å; Y303-K314 HydrophobicContact CE1-CG 4.46Å
304	K	97.4	Very high	94.6	Very high	66 Å²	66	54.6 Å²	54.6	29%	0.287	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	136.6	173.3	175.9	174.9	172.4	167.1	0	109.2	L289 F290 D306 I313 L315	L289-K304 WeakPolarHBondContact O-CA 3.19Å; F290-K304 HydrophobicContact CD1-CB 3.98Å; F290-K304 HydrophobicContact CD1-CG 4.23Å; F290-K304 HydrophobicContact CE1-CB 4.07Å; F290-K304 HydrophobicContact CE1-CD 3.83Å; F290-K304 HydrophobicContact CE1-CG 3.96Å; F290-K304 HydrophobicContact CZ-CD 4.28Å; K304-D306 PolarHBondContact O-N 2.87Å; K304-I313 PolarHBondContact N-O 3.01Å; K304-I313 PolarHBondContact O-N 2.95Å; K304-L315 HydrophobicContact CB-CB 4.38Å
305	R	96.4	Very high	94.6	Very high	14 Å²	14	58 Å²	58	5%	0.053	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	118.4	170.8	-176.7	63.1	178.8	-179.4	1.3	109.7	F238 D270 L289 T307 N310 F312	F238-R305 HydrophobicContact CE1-CG 4.45Å; D270-R305 IonicContact OD2-CZ 3.73Å; D270-R305 IonicContact OD2-NH1 2.67Å; D270-R305 PolarHBondContact OD2-NH1 2.78Å; D270-R305 IonicContact OD2-NH2 3.96Å; L289-R305 HydrophobicContact CB-CB 3.83Å; L289-R305 HydrophobicContact CD2-CB 4.13Å; L289-R305 HydrophobicContact CD2-CG 4.49Å; L289-R305 HydrophobicContact CG-CB 4.24Å; L289-R305 PolarHBondContact O-N 2.75Å; R305-T307 HydrophobicContact CG-CG2 4.15Å; R305-N310 VanDerWaalsContact CZ-C 3.49Å; R305-N310 VanDerWaalsContact NH2-C 3.28Å; R305-N310 PolarHBondContact NH2-O 3.01Å; R305-N310 VanDerWaalsContact NH2-O 3.12Å; R305-N310 PolarHBondContact NH2-OD1 2.78Å; R305-F312 HydrophobicContact CB-CD1 4.14Å; R305-F312 HydrophobicContact CB-CE1 3.83Å; R305-F312 HydrophobicContact CG-CE1 4.43Å
306	D	94.8	Very high	94.6	Very high	50 Å²	50	59.9 Å²	59.9	27%	0.267	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	114.9	166.3	-173.6	-30.6	0	0	0	108.7	K304 S308 A309 N310 K311 I313	K304-D306 PolarHBondContact O-N 2.87Å; D306-S308 WeakPolarHBondContact OD1-CA 3.37Å; D306-S308 WeakPolarHBondContact OD1-CB 3.34Å; D306-S308 PolarHBondContact OD1-N 3.39Å; D306-A309 HydrophobicContact CB-CB 4.23Å; D306-A309 PolarHBondContact OD1-N 2.92Å; D306-N310 VanDerWaalsContact O-CA 3.3Å; D306-N310 WeakPolarHBondContact O-CA 3.49Å; D306-N310 PolarHBondContact O-N 3.21Å; D306-K311 PolarHBondContact N-O 2.77Å; D306-K311 PolarHBondContact O-N 3.49Å; D306-K311 VanDerWaalsContact O-N 3.14Å; D306-I313 HydrophobicContact CB-CD1 3.53Å; D306-I313 HydrophobicContact CB-CG1 3.98Å; D306-I313 WeakPolarHBondContact OD2-CD1 3.47Å
307	T	89.8	Confident	94.7	Very high	56 Å²	56	58.3 Å²	58.3	34%	0.344	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-18	-177.1	60.3	0	0	0	0	113.5	F238 R239 R305	F238-T307 HydrophobicContact CE1-CG2 4.49Å; F238-T307 HydrophobicContact CZ-CG2 4.4Å; R239-T307 PolarHBondContact NH2-OG1 2.86Å; R239-T307 VanDerWaalsContact NH2-OG1 3.1Å; R305-T307 HydrophobicContact CG-CG2 4.15Å
308	S	92.3	Very high	95	Very high	120 Å²	120	52 Å²	52	84%	0.839	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-40.2	175.6	-56.8	0	0	0	0	110.5	D306	D306-S308 WeakPolarHBondContact OD1-CA 3.37Å; D306-S308 WeakPolarHBondContact OD1-CB 3.34Å; D306-S308 PolarHBondContact OD1-N 3.39Å
309	A	91.9	Very high	95.2	Very high	49 Å²	49	52.5 Å²	52.5	41%	0.405	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-3.3	176.5	0	0	0	0	0	113.8	D306 K311	D306-A309 HydrophobicContact CB-CB 4.23Å; D306-A309 PolarHBondContact OD1-N 2.92Å; A309-K311 VanDerWaalsContact C-N 3.26Å; A309-K311 HydrophobicContact CB-CD 3.97Å; A309-K311 HydrophobicContact CB-CG 3.84Å; A309-K311 PolarHBondContact O-N 2.9Å
310	N	89.9	Confident	95.1	Very high	108 Å²	108	55.9 Å²	55.9	58%	0.578	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.2	43.2	-177.3	-160	46.9	0	0	0	113.7	R305 D306	R305-N310 VanDerWaalsContact CZ-C 3.49Å; R305-N310 VanDerWaalsContact NH2-C 3.28Å; R305-N310 PolarHBondContact NH2-O 3.01Å; R305-N310 VanDerWaalsContact NH2-O 3.12Å; R305-N310 PolarHBondContact NH2-OD1 2.78Å; D306-N310 VanDerWaalsContact O-CA 3.3Å; D306-N310 WeakPolarHBondContact O-CA 3.49Å; D306-N310 PolarHBondContact O-N 3.21Å
311	K	94.5	Very high	94.7	Very high	111 Å²	111	61.6 Å²	61.6	48%	0.483	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	160.3	-175.9	69.9	-174	-177.8	-177.9	0	112.2	D306 A309 I313	D306-K311 PolarHBondContact N-O 2.77Å; D306-K311 PolarHBondContact O-N 3.49Å; D306-K311 VanDerWaalsContact O-N 3.14Å; A309-K311 VanDerWaalsContact C-N 3.26Å; A309-K311 HydrophobicContact CB-CD 3.97Å; A309-K311 HydrophobicContact CB-CG 3.84Å; A309-K311 PolarHBondContact O-N 2.9Å; K311-I313 HydrophobicContact CG-CG1 4.06Å
312	F	96.9	Very high	94.4	Very high	24 Å²	24	64.1 Å²	64.1	11%	0.105	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	131.6	167.1	-71.1	-77.2	0	0	0	111.2	F256 D270 I272 L289 I291 Y303 R305	F256-F312 HydrophobicContact CD1-CE2 4.34Å; F256-F312 HydrophobicContact CD1-CZ 4.19Å; F256-F312 AromaticContact CD2-CE2 3.93Å; F256-F312 HydrophobicContact CD2-CE2 3.93Å; F256-F312 HydrophobicContact CD2-CZ 4.5Å; F256-F312 HydrophobicContact CE1-CE2 4.22Å; F256-F312 AromaticContact CE1-CZ 3.83Å; F256-F312 HydrophobicContact CE1-CZ 3.83Å; F256-F312 HydrophobicContact CE2-CD2 4.33Å; F256-F312 AromaticContact CE2-CE2 3.82Å; F256-F312 HydrophobicContact CE2-CE2 3.82Å; F256-F312 HydrophobicContact CE2-CZ 4.19Å; F256-F312 HydrophobicContact CG-CE2 4.21Å; F256-F312 HydrophobicContact CZ-CE1 4.46Å; F256-F312 AromaticContact CZ-CE2 3.97Å; F256-F312 HydrophobicContact CZ-CE2 3.97Å; F256-F312 AromaticContact CZ-CZ 3.84Å; F256-F312 HydrophobicContact CZ-CZ 3.84Å; D270-F312 HydrophobicContact CB-CD2 4.4Å; D270-F312 HydrophobicContact CB-CE2 4.11Å; D270-F312 WeakPolarHBondContact OD2-CD2 3.49Å; I272-F312 HydrophobicContact CD1-CB 3.95Å; I272-F312 HydrophobicContact CD1-CD1 4Å; I272-F312 HydrophobicContact CD1-CD2 4.03Å; I272-F312 HydrophobicContact CD1-CG 3.73Å; I272-F312 HydrophobicContact CG1-CB 3.76Å; I272-F312 HydrophobicContact CG1-CD2 3.81Å; I272-F312 HydrophobicContact CG1-CG 3.8Å; L289-F312 HydrophobicContact CD2-CE1 3.96Å; L289-F312 HydrophobicContact CD2-CZ 4.02Å; L289-F312 HydrophobicContact CG-CE1 4.37Å; I291-F312 HydrophobicContact CD1-CE1 4.25Å; I291-F312 HydrophobicContact CG1-CD1 4.1Å; I291-F312 HydrophobicContact CG1-CE1 3.55Å; I291-F312 HydrophobicContact CG1-CZ 4.15Å; Y303-F312 HydrophobicContact CD1-CB 4.25Å; R305-F312 HydrophobicContact CB-CD1 4.14Å; R305-F312 HydrophobicContact CB-CE1 3.83Å; R305-F312 HydrophobicContact CG-CE1 4.43Å
313	I	96.1	Very high	94.3	Very high	71 Å²	71	64.4 Å²	64.4	36%	0.364	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	129.1	177.4	-55.2	-177.8	0	0	0	108.2	Y303 K304 D306 K311 L315	Y303-I313 CarbonylContact C-O 3.4Å; Y303-I313 WeakPolarHBondContact CA-O 3.34Å; K304-I313 PolarHBondContact N-O 3.01Å; K304-I313 PolarHBondContact O-N 2.95Å; D306-I313 HydrophobicContact CB-CD1 3.53Å; D306-I313 HydrophobicContact CB-CG1 3.98Å; D306-I313 WeakPolarHBondContact OD2-CD1 3.47Å; K311-I313 HydrophobicContact CG-CG1 4.06Å; I313-L315 PolarHBondContact O-N 3.18Å; I313-L315 VanDerWaalsContact O-N 3.14Å
314	K	96.8	Very high	94.1	Very high	110 Å²	110	68.4 Å²	68.4	48%	0.478	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	114.5	173	-177.9	174.1	177.5	165.9	0	109.3	H301 Y303	H301-K314 WeakPolarHBondContact CD2-CE 3.32Å; H301-K314 PolarHBondContact CD2-NZ 3.34Å; H301-K314 PolarHBondContact NE2-NZ 3.32Å; Y303-K314 HydrophobicContact CD1-CB 4.08Å; Y303-K314 HydrophobicContact CE1-CB 3.77Å; Y303-K314 HydrophobicContact CE1-CG 4.46Å
315	L	96.4	Very high	94.1	Very high	72 Å²	72	70.9 Å²	70.9	38%	0.377	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	-48.5	-178.8	179.6	68.6	0	0	0	111.1	F290 I302 K304 I313	F290-L315 HydrophobicContact CD1-CD2 4.01Å; F290-L315 HydrophobicContact CE1-CD2 3.77Å; I302-L315 WeakPolarHBondContact O-CB 3.37Å; I302-L315 PolarHBondContact O-N 2.87Å; K304-L315 HydrophobicContact CB-CB 4.38Å; I313-L315 PolarHBondContact O-N 3.18Å; I313-L315 VanDerWaalsContact O-N 3.14Å
316	Q	96.7	Very high	94.2	Very high	50 Å²	50	70.2 Å²	70.2	23%	0.234	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	147.4	-169.2	-179.9	175.1	1	0	0	111.5	H301 I302 F361	H301-Q316 WeakPolarHBondContact CA-O 3.3Å; I302-Q316 HydrophobicContact CB-CB 4.38Å; I302-Q316 PolarHBondContact N-O 3.21Å; I302-Q316 PolarHBondContact O-N 2.81Å; Q316-F361 PolarHBondContact NE2-O 2.72Å; Q316-F361 PolarHBondContact OE1-O 2.82Å
317	G	96.4	Very high	94.3	Very high	42 Å²	42	69.9 Å²	69.9	43%	0.433	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	145.2	165.1	0	0	0	0	0	111.9
318	I	96.4	Very high	94.7	Very high	10 Å²	10	68 Å²	68	5%	0.051	36%	0.36	C	S	.	.			trans	-90.8	137.8	174.5	-64.8	166.2	0	0	0	108.5	I292 S300 I302 V320 I323 I342 Y354	I292-I318 HydrophobicContact CG2-CD1 4.42Å; S300-I318 WeakPolarHBondContact O-CB 3.49Å; S300-I318 PolarHBondContact O-N 3.01Å; I302-I318 HydrophobicContact CD1-CG1 4.45Å; I302-I318 HydrophobicContact CG1-CD1 4.16Å; I302-I318 HydrophobicContact CG1-CG1 4.26Å; I318-V320 PolarHBondContact O-N 3.16Å; I318-V320 VanDerWaalsContact O-N 3.13Å; I318-I323 HydrophobicContact CG2-CB 4.03Å; I318-I323 HydrophobicContact CG2-CG1 3.89Å; I318-I342 HydrophobicContact CD1-CD1 3.66Å; I318-Y354 HydrophobicContact CG2-CE1 4.44Å; I318-Y354 WeakPolarHBondContact CG2-OH 3.38Å
319	D	92.6	Very high	95	Very high	78 Å²	78	62.4 Å²	62.4	42%	0.417	32%	0.32	S	S	.	.			trans	-60.8	113.1	-178.6	-178	0.6	0	0	0	111.8	L321 K322 I323	D319-L321 PolarHBondContact O-N 3.38Å; D319-L321 WeakPolarHBondContact OD1-CB 3.49Å; D319-L321 PolarHBondContact OD1-N 2.63Å; D319-K322 HydrophobicContact CB-CB 4.39Å; D319-K322 HydrophobicContact CB-CG 4.44Å; D319-K322 PolarHBondContact O-N 2.75Å; D319-K322 VanDerWaalsContact O-N 3.13Å; D319-I323 PolarHBondContact O-N 3.46Å
320	V	90.7	Very high	95.3	Very high	82 Å²	82	61.3 Å²	61.3	50%	0.497	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-21.4	-178.4	-174.4	0	0	0	0	112.2	I318 I323 R324	I318-V320 PolarHBondContact O-N 3.16Å; I318-V320 VanDerWaalsContact O-N 3.13Å; V320-I323 CarbonylContact C-O 3.51Å; V320-I323 WeakPolarHBondContact CA-O 3.29Å; V320-R324 VanDerWaalsContact O-CG 3.22Å; V320-R324 WeakPolarHBondContact O-CG 3.22Å
321	L	88.4	Confident	95.7	Very high	124 Å²	124	57.9 Å²	57.9	65%	0.649	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-31.3	175.7	-63	178.2	0	0	0	111.7	D319	D319-L321 PolarHBondContact O-N 3.38Å; D319-L321 WeakPolarHBondContact OD1-CB 3.49Å; D319-L321 PolarHBondContact OD1-N 2.63Å
322	K	91.6	Very high	95.9	Very high	78 Å²	78	53.1 Å²	53.1	34%	0.339	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-47.5	177.1	-71.4	-174.3	173	-172.4	0	112.5	D319 G349 S350 S363	D319-K322 HydrophobicContact CB-CB 4.39Å; D319-K322 HydrophobicContact CB-CG 4.44Å; D319-K322 PolarHBondContact O-N 2.75Å; D319-K322 VanDerWaalsContact O-N 3.13Å; K322-G349 CarbonylContact O-C 3.58Å; K322-G349 WeakPolarHBondContact O-CA 3.35Å; K322-S350 PolarHBondContact O-N 2.8Å; K322-S363 VanDerWaalsContact NZ-CB 3.34Å; K322-S363 PolarHBondContact NZ-OG 3.25Å
323	I	96.1	Very high	95.9	Very high	5 Å²	5	58.6 Å²	58.6	3%	0.026	29%	0.289	C	S	.	.			trans	-112.3	111.2	179.9	-58.7	-60.7	0	0	0	108.8	I318 D319 V320 P326 I342 D344 S350 Y354	I318-I323 HydrophobicContact CG2-CB 4.03Å; I318-I323 HydrophobicContact CG2-CG1 3.89Å; D319-I323 PolarHBondContact O-N 3.46Å; V320-I323 CarbonylContact C-O 3.51Å; V320-I323 WeakPolarHBondContact CA-O 3.29Å; I323-P326 HydrophobicContact CG2-CB 3.89Å; I323-P326 HydrophobicContact CG2-CG 4.16Å; I323-I342 HydrophobicContact CD1-CB 4.03Å; I323-I342 HydrophobicContact CD1-CG2 4.07Å; I323-I342 HydrophobicContact CG2-CG2 3.95Å; I323-D344 WeakPolarHBondContact CA-OD2 3.44Å; I323-D344 HydrophobicContact CD1-CB 4.47Å; I323-S350 WeakPolarHBondContact CD1-O 3.3Å; I323-Y354 HydrophobicContact CG1-CE2 4.48Å; I323-Y354 WeakPolarHBondContact CG1-OH 3.28Å
324	R	94.8	Very high	96	Very high	116 Å²	116	55.5 Å²	55.5	44%	0.438	27%	0.273	S	S	.	.	S	Bend	trans	-111.9	-43.9	-176.9	-68.2	-176.6	178.4	-144.4	-1.5	112.9	V320 D344	V320-R324 VanDerWaalsContact O-CG 3.22Å; V320-R324 WeakPolarHBondContact O-CG 3.22Å; R324-D344 PolarHBondContact N-OD2 3.33Å
325	K	96.9	Very high	95.8	Very high	119 Å²	119	55.3 Å²	55.3	52%	0.517	28%	0.277	S	S	.	.	S	Bend	trans	-133.5	70.9	-178.9	-67	-167.1	174.3	-169.4	0	110.2	L296 N327 D344 S345	L296-K325 HydrophobicContact CD2-CB 4.38Å; K325-N327 PolarHBondContact O-N 3.07Å; K325-D344 PolarHBondContact N-OD1 3.41Å; K325-D344 PolarHBondContact N-OD2 2.62Å; K325-S345 VanDerWaalsContact CB-OG 3.31Å; K325-S345 WeakPolarHBondContact CB-OG 3.48Å; K325-S345 PolarHBondContact O-N 3.13Å; K325-S345 PolarHBondContact O-OG 3.26Å
326	P	97.5	Very high	95.6	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	133.5	179.3	30.4	-36.8	0	0	0	109.8	A294 Q295 I323 I342 A343	A294-P326 HydrophobicContact CB-CB 3.87Å; A294-P326 HydrophobicContact CB-CG 3.96Å; Q295-P326 WeakPolarHBondContact O-CD 3.27Å; Q295-P326 VanDerWaalsContact O-CG 3.32Å; Q295-P326 WeakPolarHBondContact O-CG 3.17Å; I323-P326 HydrophobicContact CG2-CB 3.89Å; I323-P326 HydrophobicContact CG2-CG 4.16Å; P326-I342 HydrophobicContact CB-CG2 3.52Å; P326-A343 WeakPolarHBondContact CA-O 3.42Å
327	N	97.4	Very high	95.6	Very high	42 Å²	42	55.7 Å²	55.7	23%	0.225	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	-32.2	178.7	-158.7	71.8	0	0	0	112.8	I279 K325 A343 T374 Y421	I279-N327 WeakPolarHBondContact CD1-O 3.22Å; K325-N327 PolarHBondContact O-N 3.07Å; N327-A343 PolarHBondContact N-O 2.92Å; N327-T374 PolarHBondContact ND2-O 3.36Å; N327-Y421 PolarHBondContact ND2-OH 2.77Å
328	D	98.4	Very high	95.6	Very high	18 Å²	18	54 Å²	54	10%	0.096	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	151.5	178.5	-173.6	40.6	0	0	0	112.2	I279 I342 A343 V376	I279-D328 HydrophobicContact CD1-CB 4.4Å; D328-I342 CarbonylContact O-C 2.91Å; D328-I342 WeakPolarHBondContact O-CA 3.4Å; D328-A343 HydrophobicContact CB-CB 4Å; D328-A343 PolarHBondContact O-N 2.9Å; D328-V376 HydrophobicContact CB-CG1 4.44Å; D328-V376 WeakPolarHBondContact OD2-CG1 3.47Å; D328-V376 PolarHBondContact OD2-N 2.86Å; D328-V376 VanDerWaalsContact OD2-O 3.13Å
329	V	98.6	Very high	95.7	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.006	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	122.1	175.4	-173.7	0	0	0	0	109.9	I279 K281 I292 A294 F340 V341 I342	I279-V329 HydrophobicContact CB-CG2 4.23Å; I279-V329 HydrophobicContact CD1-CG2 4.39Å; I279-V329 HydrophobicContact CG2-CB 4.06Å; I279-V329 HydrophobicContact CG2-CG2 4.07Å; K281-V329 HydrophobicContact CB-CB 4.05Å; K281-V329 HydrophobicContact CB-CG1 3.82Å; K281-V329 VanDerWaalsContact CD-O 3.29Å; K281-V329 WeakPolarHBondContact CD-O 3.16Å; K281-V329 WeakPolarHBondContact CE-O 3.4Å; K281-V329 HydrophobicContact CG-CB 4.33Å; K281-V329 HydrophobicContact CG-CG1 4Å; K281-V329 PolarHBondContact NZ-O 3.5Å; I292-V329 HydrophobicContact CB-CG1 4.41Å; I292-V329 HydrophobicContact CD1-CG1 4.33Å; I292-V329 HydrophobicContact CG2-CG1 4Å; A294-V329 HydrophobicContact CB-CG2 3.84Å; V329-F340 HydrophobicContact CG1-CD2 4.43Å; V329-V341 VanDerWaalsContact CA-O 3.31Å; V329-V341 WeakPolarHBondContact CA-O 3.41Å; V329-I342 HydrophobicContact CG1-CG1 4.31Å; V329-I342 HydrophobicContact CG2-CG1 4.11Å; V329-I342 HydrophobicContact CG2-CG2 4.4Å
330	E	98.3	Very high	96	Very high	27 Å²	27	49.8 Å²	49.8	13%	0.126	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	142.9	178.4	-161.5	51.1	-100.9	0	0	111.4	K281 F340 V341 V376 K424	K281-E330 IonicContact NZ-OE1 2.65Å; K281-E330 PolarHBondContact NZ-OE1 2.79Å; K281-E330 IonicContact NZ-OE2 2.67Å; K281-E330 PolarHBondContact NZ-OE2 3.44Å; E330-F340 CarbonylContact O-C 3.56Å; E330-F340 WeakPolarHBondContact O-CA 3.35Å; E330-F340 WeakPolarHBondContact O-CB 3.37Å; E330-V341 HydrophobicContact CB-CG1 3.89Å; E330-V341 PolarHBondContact N-O 2.59Å; E330-V341 PolarHBondContact O-N 3.05Å; E330-V376 HydrophobicContact CB-CG1 4.08Å; E330-V376 WeakPolarHBondContact CB-O 3.39Å; E330-K424 IonicContact OE2-NZ 3.12Å; E330-K424 PolarHBondContact OE2-NZ 2.91Å
331	T	98.4	Very high	96.4	Very high	36 Å²	36	45.9 Å²	45.9	22%	0.221	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	138.5	-177.2	60.9	0	0	0	0	110.4	K281 L283 I292 F340	K281-T331 HydrophobicContact CG-CG2 3.69Å; L283-T331 HydrophobicContact CB-CG2 4.31Å; L283-T331 HydrophobicContact CD1-CG2 4.26Å; I292-T331 HydrophobicContact CD1-CG2 4.1Å; T331-F340 HydrophobicContact CG2-CB 3.98Å
332	F	98	Very high	96.9	Very high	11 Å²	11	40 Å²	40	5%	0.048	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	166	-178.5	56.2	-90.8	0	0	0	112	I334 F339 V341 I353 Y378 L387 F408	F332-I334 HydrophobicContact CD2-CD1 3.89Å; F332-I334 HydrophobicContact CD2-CG1 3.97Å; F332-I334 HydrophobicContact CE2-CD1 3.73Å; F332-I334 HydrophobicContact CE2-CG1 4.28Å; F332-F339 HydrophobicContact CD2-CB 3.84Å; F332-F339 HydrophobicContact CD2-CD2 4.23Å; F332-F339 HydrophobicContact CD2-CG 4.35Å; F332-F339 HydrophobicContact CE1-CB 4.23Å; F332-F339 HydrophobicContact CE2-CB 3.42Å; F332-F339 VanDerWaalsContact CE2-CB 3.42Å; F332-F339 AromaticContact CE2-CD2 3.97Å; F332-F339 HydrophobicContact CE2-CD2 3.97Å; F332-F339 AromaticContact CE2-CG 3.79Å; F332-F339 HydrophobicContact CE2-CG 3.79Å; F332-F339 HydrophobicContact CG-CB 4.41Å; F332-F339 HydrophobicContact CZ-CB 3.64Å; F332-F339 HydrophobicContact CZ-CG 4.32Å; F332-F339 PolarHBondContact N-O 3.49Å; F332-F339 PolarHBondContact O-N 2.79Å; F332-F339 VanDerWaalsContact O-O 3.07Å; F332-V341 HydrophobicContact CD1-CG1 4.47Å; F332-V341 HydrophobicContact CE1-CB 4.15Å; F332-V341 HydrophobicContact CE1-CG1 3.8Å; F332-I353 HydrophobicContact CZ-CG2 4.05Å; F332-Y378 HydrophobicContact CB-CD1 3.64Å; F332-Y378 HydrophobicContact CB-CD2 3.48Å; F332-Y378 VanDerWaalsContact CB-CD2 3.48Å; F332-Y378 HydrophobicContact CB-CE1 3.92Å; F332-Y378 HydrophobicContact CB-CE2 3.73Å; F332-Y378 HydrophobicContact CB-CG 3.42Å; F332-Y378 VanDerWaalsContact CB-CG 3.42Å; F332-Y378 AromaticContact CD1-CD2 3.86Å; F332-Y378 HydrophobicContact CD1-CD2 3.86Å; F332-Y378 HydrophobicContact CD1-CG 4.11Å; F332-Y378 AromaticContact CD2-CD2 3.75Å; F332-Y378 HydrophobicContact CD2-CD2 3.75Å; F332-Y378 AromaticContact CD2-CE2 3.72Å; F332-Y378 HydrophobicContact CD2-CE2 3.72Å; F332-Y378 HydrophobicContact CE2-CD2 4.43Å; F332-Y378 HydrophobicContact CE2-CE2 4.49Å; F332-Y378 HydrophobicContact CG-CD1 4.48Å; F332-Y378 AromaticContact CG-CD2 3.42Å; F332-Y378 HydrophobicContact CG-CD2 3.42Å; F332-Y378 VanDerWaalsContact CG-CD2 3.42Å; F332-Y378 AromaticContact CG-CE2 3.79Å; F332-Y378 HydrophobicContact CG-CE2 3.79Å; F332-Y378 AromaticContact CG-CG 3.8Å; F332-Y378 HydrophobicContact CG-CG 3.8Å; F332-L387 HydrophobicContact CD1-CD2 4.43Å; F332-L387 HydrophobicContact CE1-CD2 4.05Å; F332-L387 HydrophobicContact CZ-CD2 4.48Å; F332-F408 AromaticContact CE2-CE2 4Å; F332-F408 HydrophobicContact CE2-CE2 4Å; F332-F408 HydrophobicContact CE2-CZ 4.19Å; F332-F408 HydrophobicContact CZ-CE2 4.01Å; F332-F408 HydrophobicContact CZ-CZ 4.4Å
333	R	97.3	Very high	97.2	Very high	139 Å²	139	36.2 Å²	36.2	53%	0.525	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	135.1	177.1	-66.2	-174.8	177.2	-176.3	0.9	110.2	V284 E337 S338	V284-R333 PolarHBondContact O-NH2 2.8Å; R333-E337 VanDerWaalsContact CA-O 3.24Å; R333-E337 WeakPolarHBondContact CA-O 3.33Å; R333-S338 PolarHBondContact NE-OG 2.87Å
334	I	97.2	Very high	97.3	Very high	5 Å²	5	36 Å²	36	3%	0.026	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	125.6	176.8	-58.9	172.4	0	0	0	108.1	F332 G336 E337 F339 Y378 P385 W401 F408	F332-I334 HydrophobicContact CD2-CD1 3.89Å; F332-I334 HydrophobicContact CD2-CG1 3.97Å; F332-I334 HydrophobicContact CE2-CD1 3.73Å; F332-I334 HydrophobicContact CE2-CG1 4.28Å; I334-G336 PolarHBondContact O-N 2.85Å; I334-G336 VanDerWaalsContact O-N 3.11Å; I334-E337 PolarHBondContact N-O 2.83Å; I334-E337 WeakPolarHBondContact O-CB 3.41Å; I334-E337 PolarHBondContact O-N 2.79Å; I334-F339 HydrophobicContact CB-CE2 4.12Å; I334-Y378 HydrophobicContact CD1-CE2 4.34Å; I334-Y378 HydrophobicContact CG1-CE2 4.32Å; I334-P385 HydrophobicContact CD1-CB 3.75Å; I334-P385 HydrophobicContact CD1-CG 4.08Å; I334-P385 HydrophobicContact CG1-CB 4.01Å; I334-P385 HydrophobicContact CG1-CG 3.97Å; I334-P385 HydrophobicContact CG2-CG 3.96Å; I334-W401 HydrophobicContact CD1-CD2 3.85Å; I334-W401 HydrophobicContact CD1-CE3 3.92Å; I334-W401 HydrophobicContact CD1-CG 4.19Å; I334-W401 HydrophobicContact CD1-CZ3 4.27Å; I334-W401 HydrophobicContact CG2-CD2 4.39Å; I334-W401 HydrophobicContact CG2-CG 4.42Å; I334-W401 HydrophobicContact CG2-CZ2 4.22Å; I334-F408 HydrophobicContact CD1-CE2 4.09Å; I334-F408 HydrophobicContact CD1-CZ 3.75Å
335	D	93.4	Very high	97.4	Very high	107 Å²	107	32 Å²	32	57%	0.572	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.2	37.8	177.7	-57.8	-41.4	0	0	0	113	E337 K403	D335-E337 VanDerWaalsContact C-N 3.3Å; D335-E337 PolarHBondContact O-N 3.41Å; D335-K403 IonicContact OD1-NZ 3.9Å; D335-K403 PolarHBondContact OD1-NZ 2.73Å
336	G	92.7	Very high	97.4	Very high	75 Å²	75	27 Å²	27	77%	0.773	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.7	-6	-179.5	0	0	0	0	0	115.6	I334	I334-G336 PolarHBondContact O-N 2.85Å; I334-G336 VanDerWaalsContact O-N 3.11Å
337	E	95.8	Very high	97.3	Very high	54 Å²	54	32 Å²	32	25%	0.252	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	137.6	177.4	-58.4	-175.8	142.5	0	0	110.4	R333 I334 D335 F339 K355 K406	R333-E337 VanDerWaalsContact CA-O 3.24Å; R333-E337 WeakPolarHBondContact CA-O 3.33Å; I334-E337 PolarHBondContact N-O 2.83Å; I334-E337 WeakPolarHBondContact O-CB 3.41Å; I334-E337 PolarHBondContact O-N 2.79Å; D335-E337 VanDerWaalsContact C-N 3.3Å; D335-E337 PolarHBondContact O-N 3.41Å; E337-F339 HydrophobicContact CB-CD2 4.42Å; E337-F339 HydrophobicContact CB-CE2 3.52Å; E337-F339 HydrophobicContact CB-CZ 3.87Å; E337-F339 WeakPolarHBondContact O-CD2 3.25Å; E337-F339 WeakPolarHBondContact O-CE2 3.35Å; E337-K355 VanDerWaalsContact CD-CE 3.49Å; E337-K355 WeakPolarHBondContact OE1-CE 3.22Å; E337-K355 IonicContact OE1-NZ 3.67Å; E337-K355 PolarHBondContact OE1-NZ 2.89Å; E337-K355 WeakPolarHBondContact OE2-CE 3.08Å; E337-K355 IonicContact OE2-NZ 2.72Å; E337-K355 PolarHBondContact OE2-NZ 2.81Å; E337-K406 IonicContact OE1-NZ 3.18Å; E337-K406 IonicContact OE2-NZ 3.65Å
338	S	97.8	Very high	97.1	Very high	6 Å²	6	32.6 Å²	32.6	4%	0.042	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	133.3	179.5	-65.2	0	0	0	0	111.7	R333 W356	R333-S338 PolarHBondContact NE-OG 2.87Å; S338-W356 PolarHBondContact O-N 2.86Å
339	F	98.5	Very high	96.9	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	157.6	179.5	-58.2	-95.3	0	0	0	111.2	F332 I334 E337 I353 Y354 K355 W401	F332-F339 HydrophobicContact CD2-CB 3.84Å; F332-F339 HydrophobicContact CD2-CD2 4.23Å; F332-F339 HydrophobicContact CD2-CG 4.35Å; F332-F339 HydrophobicContact CE1-CB 4.23Å; F332-F339 HydrophobicContact CE2-CB 3.42Å; F332-F339 VanDerWaalsContact CE2-CB 3.42Å; F332-F339 AromaticContact CE2-CD2 3.97Å; F332-F339 HydrophobicContact CE2-CD2 3.97Å; F332-F339 AromaticContact CE2-CG 3.79Å; F332-F339 HydrophobicContact CE2-CG 3.79Å; F332-F339 HydrophobicContact CG-CB 4.41Å; F332-F339 HydrophobicContact CZ-CB 3.64Å; F332-F339 HydrophobicContact CZ-CG 4.32Å; F332-F339 PolarHBondContact N-O 3.49Å; F332-F339 PolarHBondContact O-N 2.79Å; F332-F339 VanDerWaalsContact O-O 3.07Å; I334-F339 HydrophobicContact CB-CE2 4.12Å; E337-F339 HydrophobicContact CB-CD2 4.42Å; E337-F339 HydrophobicContact CB-CE2 3.52Å; E337-F339 HydrophobicContact CB-CZ 3.87Å; E337-F339 WeakPolarHBondContact O-CD2 3.25Å; E337-F339 WeakPolarHBondContact O-CE2 3.35Å; F339-I353 HydrophobicContact CB-CG2 4.35Å; F339-I353 HydrophobicContact CD1-CG2 3.95Å; F339-Y354 WeakPolarHBondContact CA-O 3.5Å; F339-K355 HydrophobicContact CD1-CB 3.73Å; F339-K355 HydrophobicContact CD1-CG 4.05Å; F339-K355 HydrophobicContact CE1-CB 3.61Å; F339-K355 HydrophobicContact CE1-CD 3.68Å; F339-K355 HydrophobicContact CE1-CG 3.58Å; F339-K355 HydrophobicContact CZ-CD 4.01Å; F339-K355 HydrophobicContact CZ-CG 4.12Å; F339-W401 HydrophobicContact CZ-CH2 4.2Å
340	F	98.6	Very high	96.7	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	159.4	158.4	70.2	-99.9	0	0	0	109.6	L283 I292 I302 V329 E330 T331 I342 I353 Y354 F361	L283-F340 HydrophobicContact CD2-CD1 4.31Å; I292-F340 HydrophobicContact CD1-CB 3.84Å; I292-F340 HydrophobicContact CD1-CD1 3.62Å; I292-F340 HydrophobicContact CD1-CD2 4.16Å; I292-F340 HydrophobicContact CD1-CE1 4.16Å; I292-F340 HydrophobicContact CD1-CG 3.62Å; I292-F340 HydrophobicContact CG1-CD1 4.08Å; I292-F340 HydrophobicContact CG1-CE1 4.09Å; I292-F340 HydrophobicContact CG1-CG 4.31Å; I292-F340 HydrophobicContact CG1-CZ 4.37Å; I292-F340 HydrophobicContact CG2-CD2 4.48Å; I292-F340 HydrophobicContact CG2-CE2 4.26Å; I302-F340 HydrophobicContact CD1-CE1 3.95Å; I302-F340 HydrophobicContact CD1-CZ 3.87Å; V329-F340 HydrophobicContact CG1-CD2 4.43Å; E330-F340 CarbonylContact O-C 3.56Å; E330-F340 WeakPolarHBondContact O-CA 3.35Å; E330-F340 WeakPolarHBondContact O-CB 3.37Å; T331-F340 HydrophobicContact CG2-CB 3.98Å; F340-I342 HydrophobicContact CD2-CD1 4.36Å; F340-I342 HydrophobicContact CD2-CG1 3.91Å; F340-I342 HydrophobicContact CE2-CD1 3.74Å; F340-I342 HydrophobicContact CE2-CG1 3.78Å; F340-I353 CarbonylContact O-C 3.37Å; F340-I353 WeakPolarHBondContact O-CA 3.31Å; F340-Y354 AromaticContact CD2-CD2 3.95Å; F340-Y354 HydrophobicContact CD2-CD2 3.95Å; F340-Y354 HydrophobicContact CD2-CG 4.36Å; F340-Y354 HydrophobicContact CE1-CG 4.24Å; F340-Y354 HydrophobicContact CE2-CD1 4.5Å; F340-Y354 AromaticContact CE2-CD2 3.26Å; F340-Y354 HydrophobicContact CE2-CD2 3.26Å; F340-Y354 HydrophobicContact CE2-CE2 4.02Å; F340-Y354 AromaticContact CE2-CG 3.56Å; F340-Y354 HydrophobicContact CE2-CG 3.56Å; F340-Y354 VanDerWaalsContact CZ-CB 3.41Å; F340-Y354 HydrophobicContact CZ-CD1 4.16Å; F340-Y354 AromaticContact CZ-CD2 3.73Å; F340-Y354 HydrophobicContact CZ-CD2 3.73Å; F340-Y354 AromaticContact CZ-CG 3.5Å; F340-Y354 HydrophobicContact CZ-CG 3.5Å; F340-Y354 VanDerWaalsContact CZ-CG 3.5Å; F340-Y354 PolarHBondContact N-O 2.95Å; F340-Y354 PolarHBondContact O-N 2.67Å; F340-F361 AromaticContact CD1-CD1 3.66Å; F340-F361 HydrophobicContact CD1-CD1 3.66Å; F340-F361 AromaticContact CD1-CE1 3.85Å; F340-F361 HydrophobicContact CD1-CE1 3.85Å; F340-F361 HydrophobicContact CD1-CG 4.21Å; F340-F361 HydrophobicContact CE1-CB 3.7Å; F340-F361 AromaticContact CE1-CD1 3.41Å; F340-F361 HydrophobicContact CE1-CD1 3.41Å; F340-F361 VanDerWaalsContact CE1-CD1 3.41Å; F340-F361 HydrophobicContact CE1-CD2 4.13Å; F340-F361 AromaticContact CE1-CE1 3.97Å; F340-F361 HydrophobicContact CE1-CE1 3.97Å; F340-F361 AromaticContact CE1-CG 3.49Å; F340-F361 HydrophobicContact CE1-CG 3.49Å; F340-F361 VanDerWaalsContact CE1-CG 3.49Å; F340-F361 HydrophobicContact CZ-CB 4.23Å; F340-F361 HydrophobicContact CZ-CG 4.45Å
341	V	98.8	Very high	96.7	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	141.1	176.6	56.5	0	0	0	0	109	V329 E330 F332 T351 T352 I353 V376	V329-V341 VanDerWaalsContact CA-O 3.31Å; V329-V341 WeakPolarHBondContact CA-O 3.41Å; E330-V341 HydrophobicContact CB-CG1 3.89Å; E330-V341 PolarHBondContact N-O 2.59Å; E330-V341 PolarHBondContact O-N 3.05Å; F332-V341 HydrophobicContact CD1-CG1 4.47Å; F332-V341 HydrophobicContact CE1-CB 4.15Å; F332-V341 HydrophobicContact CE1-CG1 3.8Å; V341-T351 HydrophobicContact CG2-CG2 3.72Å; V341-T352 WeakPolarHBondContact CA-O 3.33Å; V341-I353 HydrophobicContact CB-CG1 4.14Å; V341-I353 HydrophobicContact CG2-CG1 3.93Å; V341-V376 HydrophobicContact CB-CG2 4.4Å; V341-V376 HydrophobicContact CG1-CB 4.2Å; V341-V376 HydrophobicContact CG1-CG1 3.64Å; V341-V376 HydrophobicContact CG1-CG2 3.46Å; V341-V376 VanDerWaalsContact CG1-CG2 3.46Å; V341-V376 HydrophobicContact CG2-CG1 4.31Å; V341-V376 HydrophobicContact CG2-CG2 4.05Å
342	I	98.6	Very high	96.7	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	118.8	174.7	-57.4	-176.8	0	0	0	107.8	I292 I318 I323 P326 D328 V329 F340 T351 T352 Y354	I292-I342 HydrophobicContact CG2-CD1 4.29Å; I318-I342 HydrophobicContact CD1-CD1 3.66Å; I323-I342 HydrophobicContact CD1-CB 4.03Å; I323-I342 HydrophobicContact CD1-CG2 4.07Å; I323-I342 HydrophobicContact CG2-CG2 3.95Å; P326-I342 HydrophobicContact CB-CG2 3.52Å; D328-I342 CarbonylContact O-C 2.91Å; D328-I342 WeakPolarHBondContact O-CA 3.4Å; V329-I342 HydrophobicContact CG1-CG1 4.31Å; V329-I342 HydrophobicContact CG2-CG1 4.11Å; V329-I342 HydrophobicContact CG2-CG2 4.4Å; F340-I342 HydrophobicContact CD2-CD1 4.36Å; F340-I342 HydrophobicContact CD2-CG1 3.91Å; F340-I342 HydrophobicContact CE2-CD1 3.74Å; F340-I342 HydrophobicContact CE2-CG1 3.78Å; I342-T351 VanDerWaalsContact O-CA 3.24Å; I342-T351 WeakPolarHBondContact O-CA 3.13Å; I342-T352 PolarHBondContact N-O 3.48Å; I342-T352 VanDerWaalsContact N-O 3.07Å; I342-T352 PolarHBondContact O-N 3.21Å; I342-T352 VanDerWaalsContact O-N 3.13Å; I342-Y354 HydrophobicContact CD1-CE2 4.37Å
343	A	98.4	Very high	96.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	128.3	171.5	0	0	0	0	0	110.1	P326 N327 D328 D373 V376	P326-A343 WeakPolarHBondContact CA-O 3.42Å; N327-A343 PolarHBondContact N-O 2.92Å; D328-A343 HydrophobicContact CB-CB 4Å; D328-A343 PolarHBondContact O-N 2.9Å; A343-D373 HydrophobicContact CB-CB 4.2Å; A343-V376 HydrophobicContact CB-CB 4.29Å; A343-V376 HydrophobicContact CB-CG1 3.91Å
344	D	98	Very high	96.8	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	120.6	179	-161.9	-68.2	0	0	0	111.6	I323 R324 K325 S346 T351 D373	I323-D344 WeakPolarHBondContact CA-OD2 3.44Å; I323-D344 HydrophobicContact CD1-CB 4.47Å; R324-D344 PolarHBondContact N-OD2 3.33Å; K325-D344 PolarHBondContact N-OD1 3.41Å; K325-D344 PolarHBondContact N-OD2 2.62Å; D344-S346 VanDerWaalsContact C-N 3.26Å; D344-S346 PolarHBondContact O-N 3.45Å; D344-S346 WeakPolarHBondContact OD1-CA 3.45Å; D344-S346 WeakPolarHBondContact OD1-CB 3.42Å; D344-S346 PolarHBondContact OD1-N 2.69Å; D344-S346 PolarHBondContact OD1-OG 2.86Å; D344-T351 PolarHBondContact N-OG1 2.82Å; D344-D373 CarbonylContact C-O 3.18Å; D344-D373 VanDerWaalsContact C-O 3.26Å; D344-D373 PolarHBondContact O-N 2.89Å
345	S	97.2	Very high	96.9	Very high	30 Å²	30	25.4 Å²	25.4	21%	0.21	16%	0.159	C	C	.	.			trans	-82.9	0.9	-178.2	63.5	0	0	0	0	113.8	K325 R372 D373	K325-S345 VanDerWaalsContact CB-OG 3.31Å; K325-S345 WeakPolarHBondContact CB-OG 3.48Å; K325-S345 PolarHBondContact O-N 3.13Å; K325-S345 PolarHBondContact O-OG 3.26Å; S345-R372 VanDerWaalsContact O-CB 3.29Å; S345-R372 WeakPolarHBondContact O-CB 3.45Å; S345-R372 VanDerWaalsContact O-CG 3.25Å; S345-R372 WeakPolarHBondContact O-CG 3.36Å; S345-D373 VanDerWaalsContact CA-O 3.22Å; S345-D373 WeakPolarHBondContact CA-O 3.24Å; S345-D373 WeakPolarHBondContact CB-O 3.42Å; S345-D373 PolarHBondContact N-O 2.78Å
346	S	96.4	Very high	97.1	Very high	15 Å²	15	22 Å²	22	11%	0.105	14%	0.138	C	C	.	.	S	Bend	trans	-100.1	142.8	176.3	81.8	0	0	0	0	111.9	D344 A348 G349	D344-S346 VanDerWaalsContact C-N 3.26Å; D344-S346 PolarHBondContact O-N 3.45Å; D344-S346 WeakPolarHBondContact OD1-CA 3.45Å; D344-S346 WeakPolarHBondContact OD1-CB 3.42Å; D344-S346 PolarHBondContact OD1-N 2.69Å; D344-S346 PolarHBondContact OD1-OG 2.86Å; S346-A348 PolarHBondContact O-N 3.31Å; S346-G349 PolarHBondContact O-N 2.88Å; S346-G349 PolarHBondContact OG-N 2.9Å
347	K	94.9	Very high	97.2	Very high	105 Å²	105	22.9 Å²	22.9	46%	0.457	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-22.4	175.3	-68.3	-169.7	166.4	-172	0	114.2	R372	K347-R372 VanDerWaalsContact CE-CZ 3.46Å; K347-R372 HydrophobicContact CG-CG 3.82Å
348	A	94.4	Very high	97.1	Very high	55 Å²	55	22.3 Å²	22.3	46%	0.455	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-19.6	-176.5	0	0	0	0	0	112.6	S346	S346-A348 PolarHBondContact O-N 3.31Å
349	G	93.5	Very high	96.8	Very high	6 Å²	6	28.4 Å²	28.4	6%	0.062	17%	0.165	C	C	.	.	S	Bend	trans	-86.3	175.9	165.3	0	0	0	0	0	110.6	K322 S346	K322-G349 CarbonylContact O-C 3.58Å; K322-G349 WeakPolarHBondContact O-CA 3.35Å; S346-G349 PolarHBondContact O-N 2.88Å; S346-G349 PolarHBondContact OG-N 2.9Å
350	S	94.9	Very high	96.7	Very high	21 Å²	21	28.5 Å²	28.5	15%	0.147	17%	0.167	C	C	.	.			trans	-143.4	134.5	173.8	173	0	0	0	0	109.6	K322 I323 T352 S366 L367	K322-S350 PolarHBondContact O-N 2.8Å; I323-S350 WeakPolarHBondContact CD1-O 3.3Å; S350-T352 PolarHBondContact O-N 3.34Å; S350-T352 VanDerWaalsContact O-N 3.11Å; S350-T352 PolarHBondContact O-OG1 2.79Å; S350-S366 WeakPolarHBondContact OG-CB 3.33Å; S350-L367 PolarHBondContact OG-O 3.2Å
351	T	98.3	Very high	96.6	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.006	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.5	118.2	172.4	-66.4	0	0	0	0	109.4	V341 I342 D344 S366 L367 D373 L389	V341-T351 HydrophobicContact CG2-CG2 3.72Å; I342-T351 VanDerWaalsContact O-CA 3.24Å; I342-T351 WeakPolarHBondContact O-CA 3.13Å; D344-T351 PolarHBondContact N-OG1 2.82Å; T351-S366 CarbonylContact O-C 3.55Å; T351-S366 WeakPolarHBondContact O-CA 3.39Å; T351-L367 HydrophobicContact CG2-CB 4.42Å; T351-L367 PolarHBondContact O-N 2.86Å; T351-D373 WeakPolarHBondContact CB-OD2 3.49Å; T351-D373 VanDerWaalsContact OG1-CB 3.29Å; T351-D373 WeakPolarHBondContact OG1-CB 3.5Å; T351-D373 PolarHBondContact OG1-OD2 3.24Å; T351-L389 HydrophobicContact CG2-CD1 4.24Å; T351-L389 HydrophobicContact CG2-CD2 3.98Å
352	T	98.6	Very high	96.5	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	130.3	-168.3	-61.8	0	0	0	0	111	V341 I342 S350 Y354 S363 Q365 S366	V341-T352 WeakPolarHBondContact CA-O 3.33Å; I342-T352 PolarHBondContact N-O 3.48Å; I342-T352 VanDerWaalsContact N-O 3.07Å; I342-T352 PolarHBondContact O-N 3.21Å; I342-T352 VanDerWaalsContact O-N 3.13Å; S350-T352 PolarHBondContact O-N 3.34Å; S350-T352 VanDerWaalsContact O-N 3.11Å; S350-T352 PolarHBondContact O-OG1 2.79Å; T352-Y354 HydrophobicContact CG2-CD2 4.18Å; T352-Y354 HydrophobicContact CG2-CE1 4.46Å; T352-Y354 HydrophobicContact CG2-CE2 3.6Å; T352-Y354 WeakPolarHBondContact O-CD2 3.49Å; T352-Y354 WeakPolarHBondContact O-CE2 3.35Å; T352-S363 VanDerWaalsContact CG2-OG 3.32Å; T352-S363 WeakPolarHBondContact CG2-OG 3.27Å; T352-Q365 WeakPolarHBondContact CA-O 3.34Å; T352-S366 PolarHBondContact OG1-OG 3.49Å
353	I	98.6	Very high	96.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	134.4	172.3	-54.2	179.3	0	0	0	108.5	F332 F339 F340 V341 H364 Q365 L367 L387 F408	F332-I353 HydrophobicContact CZ-CG2 4.05Å; F339-I353 HydrophobicContact CB-CG2 4.35Å; F339-I353 HydrophobicContact CD1-CG2 3.95Å; F340-I353 CarbonylContact O-C 3.37Å; F340-I353 WeakPolarHBondContact O-CA 3.31Å; V341-I353 HydrophobicContact CB-CG1 4.14Å; V341-I353 HydrophobicContact CG2-CG1 3.93Å; I353-H364 HydrophobicContact CG2-CB 4.34Å; I353-H364 PolarHBondContact O-N 2.67Å; I353-Q365 HydrophobicContact CB-CB 4.41Å; I353-Q365 HydrophobicContact CD1-CB 4.32Å; I353-Q365 PolarHBondContact N-O 3.11Å; I353-Q365 PolarHBondContact O-N 2.92Å; I353-L367 HydrophobicContact CD1-CD1 3.96Å; I353-L367 HydrophobicContact CD1-CG 4.41Å; I353-L367 HydrophobicContact CG1-CD1 4.32Å; I353-L387 HydrophobicContact CD1-CD1 3.78Å; I353-L387 HydrophobicContact CG1-CD1 4.49Å; I353-F408 HydrophobicContact CD1-CD2 3.35Å; I353-F408 HydrophobicContact CD1-CE2 3.8Å; I353-F408 HydrophobicContact CD1-CG 4.32Å
354	Y	98.5	Very high	96.3	Very high	9 Å²	9	38.6 Å²	38.6	4%	0.035	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	140.2	176.1	-65.9	-98.5	0	0	0	110.2	I318 I323 F339 F340 I342 T352 Y362	I318-Y354 HydrophobicContact CG2-CE1 4.44Å; I318-Y354 WeakPolarHBondContact CG2-OH 3.38Å; I323-Y354 HydrophobicContact CG1-CE2 4.48Å; I323-Y354 WeakPolarHBondContact CG1-OH 3.28Å; F339-Y354 WeakPolarHBondContact CA-O 3.5Å; F340-Y354 AromaticContact CD2-CD2 3.95Å; F340-Y354 HydrophobicContact CD2-CD2 3.95Å; F340-Y354 HydrophobicContact CD2-CG 4.36Å; F340-Y354 HydrophobicContact CE1-CG 4.24Å; F340-Y354 HydrophobicContact CE2-CD1 4.5Å; F340-Y354 AromaticContact CE2-CD2 3.26Å; F340-Y354 HydrophobicContact CE2-CD2 3.26Å; F340-Y354 HydrophobicContact CE2-CE2 4.02Å; F340-Y354 AromaticContact CE2-CG 3.56Å; F340-Y354 HydrophobicContact CE2-CG 3.56Å; F340-Y354 VanDerWaalsContact CZ-CB 3.41Å; F340-Y354 HydrophobicContact CZ-CD1 4.16Å; F340-Y354 AromaticContact CZ-CD2 3.73Å; F340-Y354 HydrophobicContact CZ-CD2 3.73Å; F340-Y354 AromaticContact CZ-CG 3.5Å; F340-Y354 HydrophobicContact CZ-CG 3.5Å; F340-Y354 VanDerWaalsContact CZ-CG 3.5Å; F340-Y354 PolarHBondContact N-O 2.95Å; F340-Y354 PolarHBondContact O-N 2.67Å; I342-Y354 HydrophobicContact CD1-CE2 4.37Å; T352-Y354 HydrophobicContact CG2-CD2 4.18Å; T352-Y354 HydrophobicContact CG2-CE1 4.46Å; T352-Y354 HydrophobicContact CG2-CE2 3.6Å; T352-Y354 WeakPolarHBondContact O-CD2 3.49Å; T352-Y354 WeakPolarHBondContact O-CE2 3.35Å; Y354-Y362 CarbonylContact C-O 3.56Å; Y354-Y362 VanDerWaalsContact CA-O 3.23Å; Y354-Y362 WeakPolarHBondContact CA-O 3.49Å
355	K	98	Very high	96.3	Very high	48 Å²	48	39.9 Å²	39.9	21%	0.209	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	136.8	-178.8	178.5	175.7	174.3	166.8	0	111	E337 F339 F361 Y362 H364	E337-K355 VanDerWaalsContact CD-CE 3.49Å; E337-K355 WeakPolarHBondContact OE1-CE 3.22Å; E337-K355 IonicContact OE1-NZ 3.67Å; E337-K355 PolarHBondContact OE1-NZ 2.89Å; E337-K355 WeakPolarHBondContact OE2-CE 3.08Å; E337-K355 IonicContact OE2-NZ 2.72Å; E337-K355 PolarHBondContact OE2-NZ 2.81Å; F339-K355 HydrophobicContact CD1-CB 3.73Å; F339-K355 HydrophobicContact CD1-CG 4.05Å; F339-K355 HydrophobicContact CE1-CB 3.61Å; F339-K355 HydrophobicContact CE1-CD 3.68Å; F339-K355 HydrophobicContact CE1-CG 3.58Å; F339-K355 HydrophobicContact CZ-CD 4.01Å; F339-K355 HydrophobicContact CZ-CG 4.12Å; K355-F361 WeakPolarHBondContact O-CA 3.38Å; K355-Y362 PolarHBondContact N-O 3.03Å; K355-Y362 PolarHBondContact O-N 2.79Å; K355-H364 HydrophobicContact CB-CB 3.94Å
356	W	97.8	Very high	96.3	Very high	36 Å²	36	41.2 Å²	41.2	14%	0.136	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	133	170.1	179.5	-113.1	0	0	0	111.6	I285 F290 S338 G358 G360 F361	I285-W356 HydrophobicContact CD1-CB 4.05Å; I285-W356 HydrophobicContact CD1-CD2 3.94Å; I285-W356 HydrophobicContact CD1-CE3 4.35Å; I285-W356 HydrophobicContact CD1-CG 3.8Å; F290-W356 AromaticContact CE1-CH2 3.88Å; F290-W356 HydrophobicContact CE1-CH2 3.88Å; F290-W356 AromaticContact CE1-CZ3 3.97Å; F290-W356 HydrophobicContact CE1-CZ3 3.97Å; F290-W356 HydrophobicContact CE2-CH2 4.41Å; F290-W356 AromaticContact CZ-CH2 3.54Å; F290-W356 HydrophobicContact CZ-CH2 3.54Å; F290-W356 HydrophobicContact CZ-CZ2 4.1Å; F290-W356 AromaticContact CZ-CZ3 3.94Å; F290-W356 HydrophobicContact CZ-CZ3 3.94Å; S338-W356 PolarHBondContact O-N 2.86Å; W356-G358 VanDerWaalsContact CE2-CA 3.45Å; W356-G358 WeakPolarHBondContact CZ2-O 3.41Å; W356-G360 VanDerWaalsContact CE3-O 3.23Å; W356-F361 HydrophobicContact CB-CD1 4.12Å; W356-F361 HydrophobicContact CB-CE1 3.8Å; W356-F361 HydrophobicContact CB-CZ 4.45Å; W356-F361 HydrophobicContact CD2-CE1 4.46Å; W356-F361 HydrophobicContact CD2-CZ 4.29Å; W356-F361 HydrophobicContact CE3-CD1 4.18Å; W356-F361 AromaticContact CE3-CD2 3.77Å; W356-F361 HydrophobicContact CE3-CD2 3.77Å; W356-F361 AromaticContact CE3-CE1 3.92Å; W356-F361 HydrophobicContact CE3-CE1 3.92Å; W356-F361 AromaticContact CE3-CE2 3.48Å; W356-F361 HydrophobicContact CE3-CE2 3.48Å; W356-F361 VanDerWaalsContact CE3-CE2 3.48Å; W356-F361 HydrophobicContact CE3-CG 4.12Å; W356-F361 AromaticContact CE3-CZ 3.55Å; W356-F361 HydrophobicContact CE3-CZ 3.55Å; W356-F361 HydrophobicContact CG-CE1 4.48Å; W356-F361 HydrophobicContact CZ3-CD2 4.03Å; W356-F361 AromaticContact CZ3-CE2 3.71Å; W356-F361 HydrophobicContact CZ3-CE2 3.71Å; W356-F361 HydrophobicContact CZ3-CZ 4.19Å
357	N	95.4	Very high	96.4	Very high	93 Å²	93	40.7 Å²	40.7	50%	0.497	23%	0.226	S	C	.	.			trans	-117.6	7.8	177.4	79.9	-16.2	0	0	0	114.7	N359 G360 Y362	N357-N359 PolarHBondContact OD1-N 3.33Å; N357-G360 PolarHBondContact N-O 2.75Å; N357-G360 VanDerWaalsContact N-O 3.14Å; N357-G360 PolarHBondContact OD1-N 3.45Å; N357-G360 PolarHBondContact OD1-O 3.04Å; N357-G360 VanDerWaalsContact OD1-O 3.12Å; N357-Y362 HydrophobicContact CB-CD2 4.18Å; N357-Y362 HydrophobicContact CB-CE2 4.29Å; N357-Y362 WeakPolarHBondContact ND2-CD2 3.15Å; N357-Y362 WeakPolarHBondContact ND2-CE2 3.24Å; N357-Y362 VanDerWaalsContact OD1-CE2 3.3Å; N357-Y362 WeakPolarHBondContact OD1-CE2 3.41Å
358	G	93.2	Very high	96.4	Very high	42 Å²	42	36.4 Å²	36.4	43%	0.433	21%	0.207	S	C	.	.	S	Bend	trans	103.2	-27	-175.5	0	0	0	0	0	114.8	W356	W356-G358 VanDerWaalsContact CE2-CA 3.45Å; W356-G358 WeakPolarHBondContact CZ2-O 3.41Å
359	N	93	Very high	96.4	Very high	134 Å²	134	37.6 Å²	37.6	72%	0.717	21%	0.211	S	C	*	.	S	Bend	trans	-116.3	-33.4	179.1	-72.9	-5.5	0	0	0	113.1	N357	N357-N359 PolarHBondContact OD1-N 3.33Å
360	G	95.3	Very high	96.4	Very high	3 Å²	3	46.5 Å²	46.5	3%	0.031	24%	0.243	C	C	.	.	S	Bend	trans	-162.9	-171.4	-175.7	0	0	0	0	0	112.2	W356 N357	W356-G360 VanDerWaalsContact CE3-O 3.23Å; N357-G360 PolarHBondContact N-O 2.75Å; N357-G360 VanDerWaalsContact N-O 3.14Å; N357-G360 PolarHBondContact OD1-N 3.45Å; N357-G360 PolarHBondContact OD1-O 3.04Å; N357-G360 VanDerWaalsContact OD1-O 3.12Å
361	F	97	Very high	96.5	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	131.3	-178.8	-67.5	-90.5	0	0	0	111.1	L283 I285 F290 I302 Q316 F340 K355 W356	L283-F361 HydrophobicContact CD2-CE1 3.64Å; L283-F361 HydrophobicContact CD2-CZ 3.48Å; L283-F361 VanDerWaalsContact CD2-CZ 3.48Å; I285-F361 HydrophobicContact CD1-CE1 3.99Å; I285-F361 HydrophobicContact CD1-CZ 3.62Å; F290-F361 HydrophobicContact CD1-CE2 4.22Å; F290-F361 HydrophobicContact CG-CE2 4.29Å; I302-F361 HydrophobicContact CD1-CB 3.75Å; I302-F361 HydrophobicContact CD1-CD2 3.63Å; I302-F361 HydrophobicContact CD1-CG 3.98Å; I302-F361 HydrophobicContact CG2-CD2 4.2Å; I302-F361 HydrophobicContact CG2-CE2 4.23Å; Q316-F361 PolarHBondContact NE2-O 2.72Å; Q316-F361 PolarHBondContact OE1-O 2.82Å; F340-F361 AromaticContact CD1-CD1 3.66Å; F340-F361 HydrophobicContact CD1-CD1 3.66Å; F340-F361 AromaticContact CD1-CE1 3.85Å; F340-F361 HydrophobicContact CD1-CE1 3.85Å; F340-F361 HydrophobicContact CD1-CG 4.21Å; F340-F361 HydrophobicContact CE1-CB 3.7Å; F340-F361 AromaticContact CE1-CD1 3.41Å; F340-F361 HydrophobicContact CE1-CD1 3.41Å; F340-F361 VanDerWaalsContact CE1-CD1 3.41Å; F340-F361 HydrophobicContact CE1-CD2 4.13Å; F340-F361 AromaticContact CE1-CE1 3.97Å; F340-F361 HydrophobicContact CE1-CE1 3.97Å; F340-F361 AromaticContact CE1-CG 3.49Å; F340-F361 HydrophobicContact CE1-CG 3.49Å; F340-F361 VanDerWaalsContact CE1-CG 3.49Å; F340-F361 HydrophobicContact CZ-CB 4.23Å; F340-F361 HydrophobicContact CZ-CG 4.45Å; K355-F361 WeakPolarHBondContact O-CA 3.38Å; W356-F361 HydrophobicContact CB-CD1 4.12Å; W356-F361 HydrophobicContact CB-CE1 3.8Å; W356-F361 HydrophobicContact CB-CZ 4.45Å; W356-F361 HydrophobicContact CD2-CE1 4.46Å; W356-F361 HydrophobicContact CD2-CZ 4.29Å; W356-F361 HydrophobicContact CE3-CD1 4.18Å; W356-F361 AromaticContact CE3-CD2 3.77Å; W356-F361 HydrophobicContact CE3-CD2 3.77Å; W356-F361 AromaticContact CE3-CE1 3.92Å; W356-F361 HydrophobicContact CE3-CE1 3.92Å; W356-F361 AromaticContact CE3-CE2 3.48Å; W356-F361 HydrophobicContact CE3-CE2 3.48Å; W356-F361 VanDerWaalsContact CE3-CE2 3.48Å; W356-F361 HydrophobicContact CE3-CG 4.12Å; W356-F361 AromaticContact CE3-CZ 3.55Å; W356-F361 HydrophobicContact CE3-CZ 3.55Å; W356-F361 HydrophobicContact CG-CE1 4.48Å; W356-F361 HydrophobicContact CZ3-CD2 4.03Å; W356-F361 AromaticContact CZ3-CE2 3.71Å; W356-F361 HydrophobicContact CZ3-CE2 3.71Å; W356-F361 HydrophobicContact CZ3-CZ 4.19Å
362	Y	95.9	Very high	96.4	Very high	123 Å²	123	55.1 Å²	55.1	48%	0.482	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	143.2	-174.1	-62.1	-97.9	0	0	0	110.2	Y354 K355 N357 H364	Y354-Y362 CarbonylContact C-O 3.56Å; Y354-Y362 VanDerWaalsContact CA-O 3.23Å; Y354-Y362 WeakPolarHBondContact CA-O 3.49Å; K355-Y362 PolarHBondContact N-O 3.03Å; K355-Y362 PolarHBondContact O-N 2.79Å; N357-Y362 HydrophobicContact CB-CD2 4.18Å; N357-Y362 HydrophobicContact CB-CE2 4.29Å; N357-Y362 WeakPolarHBondContact ND2-CD2 3.15Å; N357-Y362 WeakPolarHBondContact ND2-CE2 3.24Å; N357-Y362 VanDerWaalsContact OD1-CE2 3.3Å; N357-Y362 WeakPolarHBondContact OD1-CE2 3.41Å; Y362-H364 PolarHBondContact O-N 3.42Å; Y362-H364 VanDerWaalsContact O-N 3.15Å
363	S	96.7	Very high	96.4	Very high	47 Å²	47	55.1 Å²	55.1	33%	0.329	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	119.8	177	179	0	0	0	0	109.5	K322 T352	K322-S363 VanDerWaalsContact NZ-CB 3.34Å; K322-S363 PolarHBondContact NZ-OG 3.25Å; T352-S363 VanDerWaalsContact CG2-OG 3.32Å; T352-S363 WeakPolarHBondContact CG2-OG 3.27Å
364	H	97.3	Very high	96.4	Very high	42 Å²	42	56 Å²	56	19%	0.194	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	-47.6	-177.1	-178.2	76.3	0	0	0	111	I353 K355 Y362 W401 K406	I353-H364 HydrophobicContact CG2-CB 4.34Å; I353-H364 PolarHBondContact O-N 2.67Å; K355-H364 HydrophobicContact CB-CB 3.94Å; Y362-H364 PolarHBondContact O-N 3.42Å; Y362-H364 VanDerWaalsContact O-N 3.15Å; H364-W401 AromaticContact NE2-CH2 3.91Å; H364-K406 PolarHBondContact CE1-O 2.73Å; H364-K406 PolarHBondContact NE2-O 3.42Å
365	Q	97.8	Very high	96.4	Very high	27 Å²	27	56 Å²	56	13%	0.126	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	140.1	179.8	-178.4	176.3	12.3	0	0	110.7	T352 I353 L367 F408	T352-Q365 WeakPolarHBondContact CA-O 3.34Å; I353-Q365 HydrophobicContact CB-CB 4.41Å; I353-Q365 HydrophobicContact CD1-CB 4.32Å; I353-Q365 PolarHBondContact N-O 3.11Å; I353-Q365 PolarHBondContact O-N 2.92Å; Q365-L367 HydrophobicContact CG-CD2 3.85Å; Q365-L367 HydrophobicContact CG-CG 4.47Å; Q365-F408 PolarHBondContact NE2-O 3.4Å
366	S	97.3	Very high	96.4	Very high	58 Å²	58	53.7 Å²	53.7	41%	0.406	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	137.8	168.3	-68.7	0	0	0	0	109.9	S350 T351 T352	S350-S366 WeakPolarHBondContact OG-CB 3.33Å; T351-S366 CarbonylContact O-C 3.55Å; T351-S366 WeakPolarHBondContact O-CA 3.39Å; T352-S366 PolarHBondContact OG1-OG 3.49Å
367	L	97.3	Very high	96.5	Very high	5 Å²	5	52.5 Å²	52.5	3%	0.026	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	154.7	-175.9	-61	-177.3	0	0	0	110.4	S350 T351 I353 Q365 L387 L389 Y399 F408	S350-L367 PolarHBondContact OG-O 3.2Å; T351-L367 HydrophobicContact CG2-CB 4.42Å; T351-L367 PolarHBondContact O-N 2.86Å; I353-L367 HydrophobicContact CD1-CD1 3.96Å; I353-L367 HydrophobicContact CD1-CG 4.41Å; I353-L367 HydrophobicContact CG1-CD1 4.32Å; Q365-L367 HydrophobicContact CG-CD2 3.85Å; Q365-L367 HydrophobicContact CG-CG 4.47Å; L367-L387 HydrophobicContact CD1-CD1 4Å; L367-L389 HydrophobicContact CB-CD1 4.01Å; L367-L389 HydrophobicContact CD1-CD1 4.24Å; L367-Y399 HydrophobicContact CD2-CD1 4.07Å; L367-Y399 HydrophobicContact CD2-CE1 3.92Å; L367-F408 HydrophobicContact CD2-CB 4.38Å
368	H	95.2	Very high	96.6	Very high	14 Å²	14	49.6 Å²	49.6	7%	0.065	25%	0.246	C	C	.	.	S	Bend	trans	48.8	56.3	166.6	-148.5	-151.9	0	0	0	114.7	Y371 D373 L389	H368-Y371 HydrophobicContact CB-CD2 4.41Å; H368-Y371 AromaticContact CD2-CD2 3.13Å; H368-Y371 WeakPolarHBondContact CD2-CD2 3.49Å; H368-Y371 AromaticContact CD2-CE2 3.49Å; H368-Y371 VanDerWaalsContact CD2-CE2 3.49Å; H368-Y371 WeakPolarHBondContact CD2-CE2 2.91Å; H368-Y371 AromaticContact CD2-CG 3.53Å; H368-Y371 VanDerWaalsContact CE1-CB 3.49Å; H368-Y371 WeakPolarHBondContact CE1-CB 3.09Å; H368-Y371 AromaticContact CE1-CD1 3.55Å; H368-Y371 AromaticContact CE1-CD2 3.8Å; H368-Y371 AromaticContact CE1-CG 3.31Å; H368-Y371 AromaticContact CG-CD2 3.57Å; H368-Y371 AromaticContact CG-CG 3.72Å; H368-Y371 WeakPolarHBondContact ND1-CB 3.46Å; H368-Y371 AromaticContact ND1-CD2 3.96Å; H368-Y371 AromaticContact ND1-CG 3.6Å; H368-Y371 AromaticContact NE2-CD1 3.5Å; H368-Y371 WeakPolarHBondContact NE2-CD1 3.44Å; H368-Y371 AromaticContact NE2-CD2 3.33Å; H368-Y371 VanDerWaalsContact NE2-CD2 3.33Å; H368-Y371 WeakPolarHBondContact NE2-CD2 3.48Å; H368-Y371 AromaticContact NE2-CE1 3.7Å; H368-Y371 AromaticContact NE2-CE2 3.56Å; H368-Y371 AromaticContact NE2-CG 3.28Å; H368-Y371 VanDerWaalsContact NE2-CG 3.28Å; H368-Y371 AromaticContact NE2-CZ 3.72Å; H368-Y371 PolarHBondContact O-N 3.09Å; H368-D373 WeakPolarHBondContact CB-OD2 3.02Å; H368-D373 IonicContact CE1-OD1 2.98Å; H368-D373 PolarHBondContact CE1-OD1 2.89Å; H368-D373 IonicContact CG-OD1 2.67Å; H368-D373 IonicContact CG-OD2 2.82Å; H368-D373 IonicContact ND1-OD1 3.96Å; H368-D373 PolarHBondContact ND1-OD1 2.76Å; H368-D373 IonicContact ND1-OD2 3.92Å; H368-D373 PolarHBondContact ND1-OD2 3.01Å; H368-L389 HydrophobicContact CB-CD1 3.8Å
369	P	94.6	Very high	96.8	Very high	80 Å²	80	47.6 Å²	47.6	52%	0.519	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	144	-177.9	29.2	-36	0	0	0	111.6	Y371	P369-Y371 WeakPolarHBondContact O-CD2 3.43Å; P369-Y371 PolarHBondContact O-N 2.81Å
370	W	94.5	Very high	97	Very high	194 Å²	194	45.4 Å²	45.4	74%	0.735	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	71	8	-179.6	-55.2	99.5	0	0	0	116.6
371	Y	96	Very high	97	Very high	90 Å²	90	45.6 Å²	45.6	35%	0.353	21%	0.212	S	C	.	.	S	Bend	trans	-98	172.5	174.1	-70.2	-85.4	0	0	0	111.9	H368 P369 Q394	H368-Y371 HydrophobicContact CB-CD2 4.41Å; H368-Y371 AromaticContact CD2-CD2 3.13Å; H368-Y371 WeakPolarHBondContact CD2-CD2 3.49Å; H368-Y371 AromaticContact CD2-CE2 3.49Å; H368-Y371 VanDerWaalsContact CD2-CE2 3.49Å; H368-Y371 WeakPolarHBondContact CD2-CE2 2.91Å; H368-Y371 AromaticContact CD2-CG 3.53Å; H368-Y371 VanDerWaalsContact CE1-CB 3.49Å; H368-Y371 WeakPolarHBondContact CE1-CB 3.09Å; H368-Y371 AromaticContact CE1-CD1 3.55Å; H368-Y371 AromaticContact CE1-CD2 3.8Å; H368-Y371 AromaticContact CE1-CG 3.31Å; H368-Y371 AromaticContact CG-CD2 3.57Å; H368-Y371 AromaticContact CG-CG 3.72Å; H368-Y371 WeakPolarHBondContact ND1-CB 3.46Å; H368-Y371 AromaticContact ND1-CD2 3.96Å; H368-Y371 AromaticContact ND1-CG 3.6Å; H368-Y371 AromaticContact NE2-CD1 3.5Å; H368-Y371 WeakPolarHBondContact NE2-CD1 3.44Å; H368-Y371 AromaticContact NE2-CD2 3.33Å; H368-Y371 VanDerWaalsContact NE2-CD2 3.33Å; H368-Y371 WeakPolarHBondContact NE2-CD2 3.48Å; H368-Y371 AromaticContact NE2-CE1 3.7Å; H368-Y371 AromaticContact NE2-CE2 3.56Å; H368-Y371 AromaticContact NE2-CG 3.28Å; H368-Y371 VanDerWaalsContact NE2-CG 3.28Å; H368-Y371 AromaticContact NE2-CZ 3.72Å; H368-Y371 PolarHBondContact O-N 3.09Å; P369-Y371 WeakPolarHBondContact O-CD2 3.43Å; P369-Y371 PolarHBondContact O-N 2.81Å; Y371-Q394 HydrophobicContact CD1-CG 3.75Å; Y371-Q394 HydrophobicContact CE1-CG 3.82Å
372	R	97.4	Very high	96.7	Very high	112 Å²	112	50.3 Å²	50.3	42%	0.423	24%	0.244	S	C	.	.			trans	-121.1	75	-178.8	-67.3	-166	-176.1	108.2	-7.4	108.4	S345 K347 T374 S391 S392	S345-R372 VanDerWaalsContact O-CB 3.29Å; S345-R372 WeakPolarHBondContact O-CB 3.45Å; S345-R372 VanDerWaalsContact O-CG 3.25Å; S345-R372 WeakPolarHBondContact O-CG 3.36Å; K347-R372 VanDerWaalsContact CE-CZ 3.46Å; K347-R372 HydrophobicContact CG-CG 3.82Å; R372-T374 PolarHBondContact O-N 2.71Å; R372-S391 PolarHBondContact N-OG 2.81Å; R372-S391 VanDerWaalsContact N-OG 3.09Å; R372-S391 WeakPolarHBondContact O-CA 3.43Å; R372-S391 PolarHBondContact O-OG 3.13Å; R372-S391 VanDerWaalsContact O-OG 3.05Å; R372-S392 PolarHBondContact O-N 3.21Å
373	D	98.2	Very high	96.4	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.005	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	128.3	-172.1	-63	-18.4	0	0	0	110.2	A343 D344 S345 T351 H368 S390 S391	A343-D373 HydrophobicContact CB-CB 4.2Å; D344-D373 CarbonylContact C-O 3.18Å; D344-D373 VanDerWaalsContact C-O 3.26Å; D344-D373 PolarHBondContact O-N 2.89Å; S345-D373 VanDerWaalsContact CA-O 3.22Å; S345-D373 WeakPolarHBondContact CA-O 3.24Å; S345-D373 WeakPolarHBondContact CB-O 3.42Å; S345-D373 PolarHBondContact N-O 2.78Å; T351-D373 WeakPolarHBondContact CB-OD2 3.49Å; T351-D373 VanDerWaalsContact OG1-CB 3.29Å; T351-D373 WeakPolarHBondContact OG1-CB 3.5Å; T351-D373 PolarHBondContact OG1-OD2 3.24Å; H368-D373 WeakPolarHBondContact CB-OD2 3.02Å; H368-D373 IonicContact CE1-OD1 2.98Å; H368-D373 PolarHBondContact CE1-OD1 2.89Å; H368-D373 IonicContact CG-OD1 2.67Å; H368-D373 IonicContact CG-OD2 2.82Å; H368-D373 IonicContact ND1-OD1 3.96Å; H368-D373 PolarHBondContact ND1-OD1 2.76Å; H368-D373 IonicContact ND1-OD2 3.92Å; H368-D373 PolarHBondContact ND1-OD2 3.01Å; D373-S390 CarbonylContact C-O 3.56Å; D373-S390 VanDerWaalsContact CA-O 3.27Å; D373-S390 WeakPolarHBondContact CA-O 3.34Å; D373-S391 PolarHBondContact N-OG 3.22Å; D373-S391 VanDerWaalsContact OD1-CB 3.22Å; D373-S391 WeakPolarHBondContact OD1-CB 3.28Å; D373-S391 PolarHBondContact OD1-OG 2.77Å
374	T	98	Very high	96.4	Very high	19 Å²	19	52.3 Å²	52.3	12%	0.117	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	-29	-175.4	48.8	0	0	0	0	111.7	N327 R372 S390 Y421	N327-T374 PolarHBondContact ND2-O 3.36Å; R372-T374 PolarHBondContact O-N 2.71Å; T374-S390 PolarHBondContact N-O 2.8Å; T374-S390 PolarHBondContact OG1-O 2.87Å; T374-Y421 VanDerWaalsContact CB-O 3.28Å; T374-Y421 WeakPolarHBondContact CB-O 3.44Å; T374-Y421 HydrophobicContact CG2-CD2 4.33Å; T374-Y421 HydrophobicContact CG2-CE2 4.46Å; T374-Y421 PolarHBondContact OG1-O 3.05Å
375	D	98.6	Very high	96.4	Very high	8 Å²	8	50.7 Å²	50.7	4%	0.043	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	149.7	-173.3	175.2	85	0	0	0	110.4	S390 Y421 A422 V423 K424	D375-S390 PolarHBondContact O-N 3Å; D375-Y421 WeakPolarHBondContact CB-O 3.44Å; D375-A422 HydrophobicContact CB-CB 3.75Å; D375-A422 WeakPolarHBondContact OD2-CA 3.35Å; D375-V423 PolarHBondContact OD2-N 2.82Å; D375-K424 IonicContact OD1-NZ 3.96Å
376	V	98.6	Very high	96.4	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	122.4	177	52.1	0	0	0	0	110.2	D328 E330 V341 A343 L387 I388 L389	D328-V376 HydrophobicContact CB-CG1 4.44Å; D328-V376 WeakPolarHBondContact OD2-CG1 3.47Å; D328-V376 PolarHBondContact OD2-N 2.86Å; D328-V376 VanDerWaalsContact OD2-O 3.13Å; E330-V376 HydrophobicContact CB-CG1 4.08Å; E330-V376 WeakPolarHBondContact CB-O 3.39Å; V341-V376 HydrophobicContact CB-CG2 4.4Å; V341-V376 HydrophobicContact CG1-CB 4.2Å; V341-V376 HydrophobicContact CG1-CG1 3.64Å; V341-V376 HydrophobicContact CG1-CG2 3.46Å; V341-V376 VanDerWaalsContact CG1-CG2 3.46Å; V341-V376 HydrophobicContact CG2-CG1 4.31Å; V341-V376 HydrophobicContact CG2-CG2 4.05Å; A343-V376 HydrophobicContact CB-CB 4.29Å; A343-V376 HydrophobicContact CB-CG1 3.91Å; V376-L387 HydrophobicContact CG2-CD2 4.03Å; V376-I388 WeakPolarHBondContact CA-O 3.36Å; V376-L389 HydrophobicContact CB-CD2 3.53Å; V376-L389 HydrophobicContact CG2-CD2 3.43Å; V376-L389 VanDerWaalsContact CG2-CD2 3.43Å
377	E	98.6	Very high	96.5	Very high	10 Å²	10	47.3 Å²	47.3	5%	0.047	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	123.3	-179	-176.7	68.2	170.7	0	0	111	L387 I388 V423 K424 H425	E377-L387 CarbonylContact O-C 3.16Å; E377-L387 VanDerWaalsContact O-CA 3.31Å; E377-L387 WeakPolarHBondContact O-CA 3.49Å; E377-I388 HydrophobicContact CB-CB 4.4Å; E377-I388 PolarHBondContact N-O 2.89Å; E377-I388 PolarHBondContact O-N 2.99Å; E377-V423 HydrophobicContact CB-CB 4.23Å; E377-V423 HydrophobicContact CB-CG1 4.43Å; E377-V423 WeakPolarHBondContact CB-O 3.16Å; E377-V423 HydrophobicContact CG-CG1 4.46Å; E377-K424 WeakPolarHBondContact OE2-CD 3.33Å; E377-K424 IonicContact OE2-NZ 3.74Å; E377-K424 PolarHBondContact OE2-NZ 3.03Å; E377-H425 IonicContact OE1-CE1 3.45Å; E377-H425 IonicContact OE1-CG 2.76Å; E377-H425 PolarHBondContact OE1-N 2.88Å; E377-H425 IonicContact OE1-ND1 3.51Å; E377-H425 PolarHBondContact OE1-ND1 2.5Å
378	Y	98.6	Very high	96.5	Very high	32 Å²	32	47.1 Å²	47.1	13%	0.125	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	134.1	168.4	177.3	-93.5	0	0	0	110.9	F332 I334 E380 P385 L387 H425	F332-Y378 HydrophobicContact CB-CD1 3.64Å; F332-Y378 HydrophobicContact CB-CD2 3.48Å; F332-Y378 VanDerWaalsContact CB-CD2 3.48Å; F332-Y378 HydrophobicContact CB-CE1 3.92Å; F332-Y378 HydrophobicContact CB-CE2 3.73Å; F332-Y378 HydrophobicContact CB-CG 3.42Å; F332-Y378 VanDerWaalsContact CB-CG 3.42Å; F332-Y378 AromaticContact CD1-CD2 3.86Å; F332-Y378 HydrophobicContact CD1-CD2 3.86Å; F332-Y378 HydrophobicContact CD1-CG 4.11Å; F332-Y378 AromaticContact CD2-CD2 3.75Å; F332-Y378 HydrophobicContact CD2-CD2 3.75Å; F332-Y378 AromaticContact CD2-CE2 3.72Å; F332-Y378 HydrophobicContact CD2-CE2 3.72Å; F332-Y378 HydrophobicContact CE2-CD2 4.43Å; F332-Y378 HydrophobicContact CE2-CE2 4.49Å; F332-Y378 HydrophobicContact CG-CD1 4.48Å; F332-Y378 AromaticContact CG-CD2 3.42Å; F332-Y378 HydrophobicContact CG-CD2 3.42Å; F332-Y378 VanDerWaalsContact CG-CD2 3.42Å; F332-Y378 AromaticContact CG-CE2 3.79Å; F332-Y378 HydrophobicContact CG-CE2 3.79Å; F332-Y378 AromaticContact CG-CG 3.8Å; F332-Y378 HydrophobicContact CG-CG 3.8Å; I334-Y378 HydrophobicContact CD1-CE2 4.34Å; I334-Y378 HydrophobicContact CG1-CE2 4.32Å; Y378-E380 HydrophobicContact CE1-CG 4.19Å; Y378-E380 PolarHBondContact OH-OE1 2.85Å; Y378-E380 VanDerWaalsContact OH-OE1 3.05Å; Y378-P385 HydrophobicContact CE2-CB 3.84Å; Y378-L387 HydrophobicContact CD2-CD2 4Å; Y378-L387 HydrophobicContact CG-CD2 4.5Å; Y378-H425 PolarHBondContact O-CE1 3.39Å; Y378-H425 PolarHBondContact O-ND1 2.78Å
379	L	97.6	Very high	96.7	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	163	173.8	74.9	166.5	0	0	0	111.8	I381 H386 I388 H425 L432 I434 F453	L379-I381 HydrophobicContact CD1-CD1 4.23Å; L379-I381 HydrophobicContact CD1-CG1 4Å; L379-I381 HydrophobicContact CG-CG1 4.16Å; L379-H386 HydrophobicContact CD2-CB 3.93Å; L379-H386 HydrophobicContact CG-CB 4.39Å; L379-H386 PolarHBondContact N-O 2.83Å; L379-H386 VanDerWaalsContact N-O 3.15Å; L379-H386 PolarHBondContact O-N 3.26Å; L379-I388 HydrophobicContact CD1-CD1 4.02Å; L379-I388 HydrophobicContact CD2-CD1 3.63Å; L379-I388 HydrophobicContact CD2-CG1 3.62Å; L379-H425 HydrophobicContact CB-CB 4.34Å; L379-H425 HydrophobicContact CD1-CB 4.29Å; L379-L432 HydrophobicContact CD1-CD1 4.32Å; L379-L432 HydrophobicContact CD1-CD2 3.9Å; L379-I434 HydrophobicContact CD1-CG2 4.47Å; L379-F453 HydrophobicContact CD1-CZ 4.16Å
380	E	95.9	Very high	96.9	Very high	88 Å²	88	42.6 Å²	42.6	41%	0.411	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	122.1	172.9	-66.2	-171.9	-174.8	0	0	111.3	Y378 K384	Y378-E380 HydrophobicContact CE1-CG 4.19Å; Y378-E380 PolarHBondContact OH-OE1 2.85Å; Y378-E380 VanDerWaalsContact OH-OE1 3.05Å; E380-K384 WeakPolarHBondContact CA-O 3.37Å
381	I	95.3	Very high	97	Very high	7 Å²	7	33.4 Å²	33.4	4%	0.036	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	116.2	175.9	-52.1	180	0	0	0	107.3	L379 S383 K384 H386 L432 W448 F453	L379-I381 HydrophobicContact CD1-CD1 4.23Å; L379-I381 HydrophobicContact CD1-CG1 4Å; L379-I381 HydrophobicContact CG-CG1 4.16Å; I381-S383 VanDerWaalsContact C-N 3.27Å; I381-S383 PolarHBondContact O-N 2.9Å; I381-K384 PolarHBondContact N-O 3.07Å; I381-K384 WeakPolarHBondContact O-CB 3.42Å; I381-K384 PolarHBondContact O-N 2.85Å; I381-H386 HydrophobicContact CD1-CB 4.34Å; I381-H386 HydrophobicContact CG1-CB 4.43Å; I381-L432 HydrophobicContact CG1-CD2 3.8Å; I381-W448 HydrophobicContact CD1-CE3 4.41Å; I381-W448 HydrophobicContact CD1-CH2 4.4Å; I381-W448 HydrophobicContact CD1-CZ3 4.24Å; I381-W448 HydrophobicContact CG2-CD2 4.01Å; I381-W448 VanDerWaalsContact CG2-CE2 3.42Å; I381-W448 HydrophobicContact CG2-CG 4.45Å; I381-W448 HydrophobicContact CG2-CH2 4.28Å; I381-W448 HydrophobicContact CG2-CZ2 3.6Å; I381-F453 HydrophobicContact CD1-CE2 4.27Å; I381-F453 HydrophobicContact CD1-CZ 4.31Å
382	S	90.4	Very high	96.9	Very high	98 Å²	98	31.6 Å²	31.6	69%	0.685	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.6	46	-175.8	-53.8	0	0	0	0	112.5	K384	S382-K384 PolarHBondContact O-N 3.38Å; S382-K384 VanDerWaalsContact O-N 3.14Å
383	S	91	Very high	96.6	Very high	101 Å²	101	29.6 Å²	29.6	71%	0.706	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.3	21	-178.2	-49.9	0	0	0	0	114.9	I381	I381-S383 VanDerWaalsContact C-N 3.27Å; I381-S383 PolarHBondContact O-N 2.9Å
384	K	95.2	Very high	96.4	Very high	111 Å²	111	33.3 Å²	33.3	48%	0.483	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	131.5	172.2	-64.1	-179	-171.5	173.1	0	109	E380 I381 S382 H386	E380-K384 WeakPolarHBondContact CA-O 3.37Å; I381-K384 PolarHBondContact N-O 3.07Å; I381-K384 WeakPolarHBondContact O-CB 3.42Å; I381-K384 PolarHBondContact O-N 2.85Å; S382-K384 PolarHBondContact O-N 3.38Å; S382-K384 VanDerWaalsContact O-N 3.14Å; K384-H386 PolarHBondContact O-CE1 2.82Å; K384-H386 PolarHBondContact O-ND1 3.02Å
385	P	97.9	Very high	96.3	Very high	9 Å²	9	36.9 Å²	36.9	6%	0.058	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	134.4	177.2	-18.6	29.7	0	0	0	111.9	I334 Y378 W401	I334-P385 HydrophobicContact CD1-CB 3.75Å; I334-P385 HydrophobicContact CD1-CG 4.08Å; I334-P385 HydrophobicContact CG1-CB 4.01Å; I334-P385 HydrophobicContact CG1-CG 3.97Å; I334-P385 HydrophobicContact CG2-CG 3.96Å; Y378-P385 HydrophobicContact CE2-CB 3.84Å; P385-W401 HydrophobicContact CB-CB 3.76Å; P385-W401 HydrophobicContact CB-CG 4.37Å; P385-W401 HydrophobicContact CG-CB 4.08Å; P385-W401 HydrophobicContact CG-CG 4.33Å; P385-W401 WeakPolarHBondContact O-CB 3.3Å; P385-W401 PolarHBondContact O-N 2.98Å
386	H	98.4	Very high	96.3	Very high	14 Å²	14	36.5 Å²	36.5	7%	0.065	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	156.9	176.7	-68.5	77.3	0	0	0	110.7	L379 I381 K384 Y399 Q400	L379-H386 HydrophobicContact CD2-CB 3.93Å; L379-H386 HydrophobicContact CG-CB 4.39Å; L379-H386 PolarHBondContact N-O 2.83Å; L379-H386 VanDerWaalsContact N-O 3.15Å; L379-H386 PolarHBondContact O-N 3.26Å; I381-H386 HydrophobicContact CD1-CB 4.34Å; I381-H386 HydrophobicContact CG1-CB 4.43Å; K384-H386 PolarHBondContact O-CE1 2.82Å; K384-H386 PolarHBondContact O-ND1 3.02Å; H386-Y399 CarbonylContact C-O 3.46Å; H386-Y399 WeakPolarHBondContact CA-O 3.12Å; H386-Y399 VanDerWaalsContact CB-O 3.3Å; H386-Y399 WeakPolarHBondContact CB-O 3.42Å; H386-Y399 PolarHBondContact CD2-O 2.98Å; H386-Q400 WeakPolarHBondContact NE2-CG 3.22Å
387	L	98.6	Very high	96.2	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	139.5	167.1	-68.6	172.2	0	0	0	109	F332 I353 L367 V376 E377 Y378 I398 Y399 F408	F332-L387 HydrophobicContact CD1-CD2 4.43Å; F332-L387 HydrophobicContact CE1-CD2 4.05Å; F332-L387 HydrophobicContact CZ-CD2 4.48Å; I353-L387 HydrophobicContact CD1-CD1 3.78Å; I353-L387 HydrophobicContact CG1-CD1 4.49Å; L367-L387 HydrophobicContact CD1-CD1 4Å; V376-L387 HydrophobicContact CG2-CD2 4.03Å; E377-L387 CarbonylContact O-C 3.16Å; E377-L387 VanDerWaalsContact O-CA 3.31Å; E377-L387 WeakPolarHBondContact O-CA 3.49Å; Y378-L387 HydrophobicContact CD2-CD2 4Å; Y378-L387 HydrophobicContact CG-CD2 4.5Å; L387-I398 WeakPolarHBondContact O-CA 3.27Å; L387-Y399 PolarHBondContact N-O 2.76Å; L387-Y399 PolarHBondContact O-N 3.22Å; L387-F408 HydrophobicContact CB-CD1 4.41Å; L387-F408 HydrophobicContact CB-CE1 4.35Å; L387-F408 HydrophobicContact CD1-CD1 4.03Å; L387-F408 HydrophobicContact CD1-CD2 3.7Å; L387-F408 HydrophobicContact CD1-CE1 3.99Å; L387-F408 HydrophobicContact CD1-CE2 3.62Å; L387-F408 HydrophobicContact CD1-CG 3.89Å; L387-F408 HydrophobicContact CD1-CZ 3.76Å; L387-F408 HydrophobicContact CD2-CZ 4.49Å; L387-F408 HydrophobicContact CG-CD1 4.04Å; L387-F408 HydrophobicContact CG-CD2 4.45Å; L387-F408 HydrophobicContact CG-CE1 3.67Å; L387-F408 HydrophobicContact CG-CE2 4.1Å; L387-F408 HydrophobicContact CG-CG 4.41Å; L387-F408 HydrophobicContact CG-CZ 3.69Å
388	I	98.5	Very high	96.2	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	122.4	169.3	-56.8	173.6	0	0	0	107.6	V376 E377 L379 P396 V397 I398 I414 V423 I434 F453	V376-I388 WeakPolarHBondContact CA-O 3.36Å; E377-I388 HydrophobicContact CB-CB 4.4Å; E377-I388 PolarHBondContact N-O 2.89Å; E377-I388 PolarHBondContact O-N 2.99Å; L379-I388 HydrophobicContact CD1-CD1 4.02Å; L379-I388 HydrophobicContact CD2-CD1 3.63Å; L379-I388 HydrophobicContact CD2-CG1 3.62Å; I388-P396 HydrophobicContact CG2-CB 3.94Å; I388-V397 WeakPolarHBondContact CA-O 3.32Å; I388-I398 HydrophobicContact CG1-CG1 4.27Å; I388-I414 HydrophobicContact CG2-CD1 4.28Å; I388-V423 HydrophobicContact CD1-CG1 4.16Å; I388-V423 HydrophobicContact CG2-CB 4.24Å; I388-V423 HydrophobicContact CG2-CG1 4.33Å; I388-V423 HydrophobicContact CG2-CG2 3.79Å; I388-I434 HydrophobicContact CD1-CG2 4.4Å; I388-F453 HydrophobicContact CD1-CE2 4.16Å
389	L	98.3	Very high	96.2	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	127.2	174.5	-63.1	-175.3	0	0	0	110.2	T351 L367 H368 V376 P396 V397 Y399	T351-L389 HydrophobicContact CG2-CD1 4.24Å; T351-L389 HydrophobicContact CG2-CD2 3.98Å; L367-L389 HydrophobicContact CB-CD1 4.01Å; L367-L389 HydrophobicContact CD1-CD1 4.24Å; H368-L389 HydrophobicContact CB-CD1 3.8Å; V376-L389 HydrophobicContact CB-CD2 3.53Å; V376-L389 HydrophobicContact CG2-CD2 3.43Å; V376-L389 VanDerWaalsContact CG2-CD2 3.43Å; L389-P396 CarbonylContact O-C 3.6Å; L389-P396 WeakPolarHBondContact O-CA 3.39Å; L389-V397 PolarHBondContact N-O 2.93Å; L389-V397 PolarHBondContact O-N 2.62Å; L389-Y399 HydrophobicContact CB-CE2 4.45Å; L389-Y399 HydrophobicContact CD1-CD2 4.26Å; L389-Y399 HydrophobicContact CD1-CE2 3.58Å; L389-Y399 HydrophobicContact CG-CD2 4.27Å; L389-Y399 HydrophobicContact CG-CE2 3.95Å
390	S	98.3	Very high	96.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	141	166.3	-61.3	0	0	0	0	110	D373 T374 D375 V420 Y421 V423	D373-S390 CarbonylContact C-O 3.56Å; D373-S390 VanDerWaalsContact CA-O 3.27Å; D373-S390 WeakPolarHBondContact CA-O 3.34Å; T374-S390 PolarHBondContact N-O 2.8Å; T374-S390 PolarHBondContact OG1-O 2.87Å; D375-S390 PolarHBondContact O-N 3Å; S390-V420 WeakPolarHBondContact CB-O 3.43Å; S390-Y421 WeakPolarHBondContact CB-O 3.19Å; S390-V423 WeakPolarHBondContact OG-CG2 3.18Å
391	S	96.9	Very high	96.3	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.007	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	144.1	-177.5	-152.6	0	0	0	0	111.3	R372 D373 S393 Q394	R372-S391 PolarHBondContact N-OG 2.81Å; R372-S391 VanDerWaalsContact N-OG 3.09Å; R372-S391 WeakPolarHBondContact O-CA 3.43Å; R372-S391 PolarHBondContact O-OG 3.13Å; R372-S391 VanDerWaalsContact O-OG 3.05Å; D373-S391 PolarHBondContact N-OG 3.22Å; D373-S391 VanDerWaalsContact OD1-CB 3.22Å; D373-S391 WeakPolarHBondContact OD1-CB 3.28Å; D373-S391 PolarHBondContact OD1-OG 2.77Å; S391-S393 PolarHBondContact O-N 2.8Å; S391-Q394 PolarHBondContact O-N 2.86Å
392	S	94.6	Very high	96.4	Very high	52 Å²	52	35.9 Å²	35.9	36%	0.364	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	129	-178.1	173.6	0	0	0	0	111.6	R372 Q394	R372-S392 PolarHBondContact O-N 3.21Å; S392-Q394 PolarHBondContact O-N 2.75Å
393	S	90.9	Very high	96.5	Very high	70 Å²	70	37.2 Å²	37.2	49%	0.49	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	27.4	179.8	-49.7	0	0	0	0	114.5	S391 D419	S391-S393 PolarHBondContact O-N 2.8Å; S393-D419 WeakPolarHBondContact CA-OD1 3.23Å; S393-D419 PolarHBondContact N-OD1 3Å; S393-D419 PolarHBondContact OG-OD1 2.87Å
394	Q	94.2	Very high	96.7	Very high	79 Å²	79	36.8 Å²	36.8	37%	0.369	20%	0.196	S	C	.	.	S	Bend	trans	-131.5	171.1	175.2	-57.8	-62.9	-58.4	0	0	110.6	Y371 S391 S392 D419	Y371-Q394 HydrophobicContact CD1-CG 3.75Å; Y371-Q394 HydrophobicContact CE1-CG 3.82Å; S391-Q394 PolarHBondContact O-N 2.86Å; S392-Q394 PolarHBondContact O-N 2.75Å; Q394-D419 PolarHBondContact O-N 2.72Å
395	R	96.1	Very high	96.7	Very high	94 Å²	94	35.3 Å²	35.3	36%	0.355	20%	0.196	S	C	.	.			trans	-84.9	147.7	170.3	-59.5	-178.7	-176.6	175.2	-1.1	110.6	V397 D413 M417 E418	R395-V397 PolarHBondContact O-N 3.23Å; R395-D413 HydrophobicContact CB-CB 4.13Å; R395-D413 VanDerWaalsContact CD-OD2 3.28Å; R395-D413 WeakPolarHBondContact CD-OD2 3.35Å; R395-D413 IonicContact NH1-OD2 3.68Å; R395-D413 PolarHBondContact NH1-OD2 2.98Å; R395-M417 WeakPolarHBondContact CA-O 3.21Å; R395-M417 WeakPolarHBondContact CG-O 3.29Å; R395-E418 HydrophobicContact CG-CG 3.83Å; R395-E418 IonicContact NE-OE1 2.87Å; R395-E418 IonicContact NH2-OE1 3.05Å
396	P	97.8	Very high	96.6	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.212	C	C	.	.			trans	-57.7	138.9	171.9	-22.9	32.1	0	0	0	111.7	I388 L389 D413 I414 M417 V420 V423	I388-P396 HydrophobicContact CG2-CB 3.94Å; L389-P396 CarbonylContact O-C 3.6Å; L389-P396 WeakPolarHBondContact O-CA 3.39Å; P396-D413 CarbonylContact O-C 3.57Å; P396-D413 VanDerWaalsContact O-CA 3.3Å; P396-D413 WeakPolarHBondContact O-CA 3.32Å; P396-I414 HydrophobicContact CB-CB 4.2Å; P396-I414 HydrophobicContact CB-CD1 3.96Å; P396-I414 HydrophobicContact CB-CG1 4.15Å; P396-I414 HydrophobicContact CG-CB 4.42Å; P396-I414 PolarHBondContact O-N 3.2Å; P396-M417 VanDerWaalsContact CD-O 3.29Å; P396-M417 WeakPolarHBondContact CD-O 3.35Å; P396-V420 HydrophobicContact CG-CB 3.71Å; P396-V420 HydrophobicContact CG-CG1 4.02Å; P396-V420 HydrophobicContact CG-CG2 3.63Å; P396-V423 HydrophobicContact CB-CG2 4.47Å
397	V	97.4	Very high	96.6	Very high	6 Å²	6	41.7 Å²	41.7	4%	0.036	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	128.8	-177.4	-176.6	0	0	0	0	110.2	I388 L389 R395 Y399 R410	I388-V397 WeakPolarHBondContact CA-O 3.32Å; L389-V397 PolarHBondContact N-O 2.93Å; L389-V397 PolarHBondContact O-N 2.62Å; R395-V397 PolarHBondContact O-N 3.23Å; V397-Y399 HydrophobicContact CB-CE2 3.97Å; V397-Y399 HydrophobicContact CG1-CD2 4.07Å; V397-Y399 HydrophobicContact CG1-CE2 3.52Å; V397-R410 HydrophobicContact CG1-CG 3.69Å
398	I	97.8	Very high	96.6	Very high	8 Å²	8	41.9 Å²	41.9	4%	0.041	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	125.3	176.2	-49.8	-176.9	0	0	0	109.5	L387 I388 R411 T412 I414 F453	L387-I398 WeakPolarHBondContact O-CA 3.27Å; I388-I398 HydrophobicContact CG1-CG1 4.27Å; I398-R411 PolarHBondContact O-N 3.43Å; I398-T412 HydrophobicContact CB-CG2 4.27Å; I398-T412 HydrophobicContact CD1-CG2 4Å; I398-T412 HydrophobicContact CG1-CG2 4.34Å; I398-T412 PolarHBondContact N-O 2.75Å; I398-T412 PolarHBondContact O-N 3.32Å; I398-I414 HydrophobicContact CD1-CD1 4.37Å; I398-I414 HydrophobicContact CD1-CG1 3.92Å; I398-I414 HydrophobicContact CG1-CD1 4.41Å; I398-I414 HydrophobicContact CG1-CG1 3.99Å; I398-F453 HydrophobicContact CD1-CD2 3.97Å; I398-F453 HydrophobicContact CD1-CE2 3.95Å
399	Y	98.4	Very high	96.5	Very high	15 Å²	15	44.7 Å²	44.7	6%	0.059	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	146.2	169.1	-65.7	-103	0	0	0	110	L367 H386 L387 L389 V397 F408 D409 R410	L367-Y399 HydrophobicContact CD2-CD1 4.07Å; L367-Y399 HydrophobicContact CD2-CE1 3.92Å; H386-Y399 CarbonylContact C-O 3.46Å; H386-Y399 WeakPolarHBondContact CA-O 3.12Å; H386-Y399 VanDerWaalsContact CB-O 3.3Å; H386-Y399 WeakPolarHBondContact CB-O 3.42Å; H386-Y399 PolarHBondContact CD2-O 2.98Å; L387-Y399 PolarHBondContact N-O 2.76Å; L387-Y399 PolarHBondContact O-N 3.22Å; L389-Y399 HydrophobicContact CB-CE2 4.45Å; L389-Y399 HydrophobicContact CD1-CD2 4.26Å; L389-Y399 HydrophobicContact CD1-CE2 3.58Å; L389-Y399 HydrophobicContact CG-CD2 4.27Å; L389-Y399 HydrophobicContact CG-CE2 3.95Å; V397-Y399 HydrophobicContact CB-CE2 3.97Å; V397-Y399 HydrophobicContact CG1-CD2 4.07Å; V397-Y399 HydrophobicContact CG1-CE2 3.52Å; Y399-F408 HydrophobicContact CD1-CB 4.4Å; Y399-D409 CarbonylContact C-O 3.57Å; Y399-D409 VanDerWaalsContact CA-O 3.31Å; Y399-D409 WeakPolarHBondContact CA-O 3.33Å; Y399-R410 HydrophobicContact CD1-CB 4.05Å; Y399-R410 HydrophobicContact CE1-CB 3.78Å; Y399-R410 HydrophobicContact CE1-CG 4.38Å
400	Q	97.8	Very high	96.5	Very high	30 Å²	30	51.4 Å²	51.4	14%	0.14	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	137.5	175.9	-178.7	-178.5	-17.7	0	0	110.6	H386 N402 F408 D409 R411	H386-Q400 WeakPolarHBondContact NE2-CG 3.22Å; Q400-N402 PolarHBondContact O-N 3.3Å; Q400-F408 WeakPolarHBondContact O-CA 3.22Å; Q400-D409 PolarHBondContact N-O 2.76Å; Q400-D409 PolarHBondContact O-N 2.84Å; Q400-R411 HydrophobicContact CB-CG 3.51Å; Q400-R411 VanDerWaalsContact CD-NH2 3.28Å
401	W	98.1	Very high	96.3	Very high	10 Å²	10	58.3 Å²	58.3	4%	0.038	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	125.5	172.9	-176.4	-108.4	0	0	0	112.2	I334 F339 H364 P385 K406 F408	I334-W401 HydrophobicContact CD1-CD2 3.85Å; I334-W401 HydrophobicContact CD1-CE3 3.92Å; I334-W401 HydrophobicContact CD1-CG 4.19Å; I334-W401 HydrophobicContact CD1-CZ3 4.27Å; I334-W401 HydrophobicContact CG2-CD2 4.39Å; I334-W401 HydrophobicContact CG2-CG 4.42Å; I334-W401 HydrophobicContact CG2-CZ2 4.22Å; F339-W401 HydrophobicContact CZ-CH2 4.2Å; H364-W401 AromaticContact NE2-CH2 3.91Å; P385-W401 HydrophobicContact CB-CB 3.76Å; P385-W401 HydrophobicContact CB-CG 4.37Å; P385-W401 HydrophobicContact CG-CB 4.08Å; P385-W401 HydrophobicContact CG-CG 4.33Å; P385-W401 WeakPolarHBondContact O-CB 3.3Å; P385-W401 PolarHBondContact O-N 2.98Å; W401-K406 HydrophobicContact CH2-CB 3.86Å; W401-K406 WeakPolarHBondContact CH2-O 3.26Å; W401-K406 VanDerWaalsContact CZ2-CA 3.42Å; W401-K406 HydrophobicContact CZ2-CB 3.61Å; W401-K406 HydrophobicContact CZ2-CG 4.15Å; W401-K406 VanDerWaalsContact CZ3-C 3.5Å; W401-K406 WeakPolarHBondContact CZ3-O 3.5Å; W401-F408 HydrophobicContact CB-CD1 4.23Å; W401-F408 HydrophobicContact CB-CE1 3.88Å; W401-F408 HydrophobicContact CB-CZ 4.27Å; W401-F408 HydrophobicContact CE3-CD1 4.42Å; W401-F408 AromaticContact CE3-CD2 3.54Å; W401-F408 HydrophobicContact CE3-CD2 3.54Å; W401-F408 HydrophobicContact CE3-CE1 4.31Å; W401-F408 AromaticContact CE3-CE2 3.43Å; W401-F408 HydrophobicContact CE3-CE2 3.43Å; W401-F408 VanDerWaalsContact CE3-CE2 3.43Å; W401-F408 HydrophobicContact CE3-CG 4.06Å; W401-F408 AromaticContact CE3-CZ 3.85Å; W401-F408 HydrophobicContact CE3-CZ 3.85Å; W401-F408 AromaticContact CZ3-CD2 3.84Å; W401-F408 HydrophobicContact CZ3-CD2 3.84Å; W401-F408 AromaticContact CZ3-CE2 3.77Å; W401-F408 HydrophobicContact CZ3-CE2 3.77Å
402	N	97.1	Very high	96.2	Very high	55 Å²	55	61.3 Å²	61.3	29%	0.294	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	107.8	172.6	-176.1	-24.8	0	0	0	109.4	Q400 A404 V405 K406 H407 D409	Q400-N402 PolarHBondContact O-N 3.3Å; N402-A404 PolarHBondContact O-N 3.45Å; N402-A404 WeakPolarHBondContact OD1-CB 3.35Å; N402-A404 PolarHBondContact OD1-N 3.21Å; N402-V405 HydrophobicContact CB-CG2 3.67Å; N402-V405 VanDerWaalsContact CG-CG2 3.49Å; N402-V405 PolarHBondContact O-N 2.95Å; N402-K406 VanDerWaalsContact O-CA 3.25Å; N402-K406 WeakPolarHBondContact O-CA 3.29Å; N402-K406 PolarHBondContact O-N 3.38Å; N402-H407 WeakPolarHBondContact CB-O 3.23Å; N402-H407 PolarHBondContact N-O 3.4Å; N402-H407 PolarHBondContact O-N 3.09Å; N402-D409 WeakPolarHBondContact CB-OD2 3.47Å; N402-D409 PolarHBondContact ND2-OD2 3.46Å
403	K	94.2	Very high	96.2	Very high	126 Å²	126	61.2 Å²	61.2	55%	0.548	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-26.7	-176.8	-67.7	-165.2	175.2	-152.6	0	113.9	D335	D335-K403 IonicContact OD1-NZ 3.9Å; D335-K403 PolarHBondContact OD1-NZ 2.73Å
404	A	95.1	Very high	96.4	Very high	93 Å²	93	58 Å²	58	77%	0.769	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-45.2	-177.8	0	0	0	0	0	111.6	N402	N402-A404 PolarHBondContact O-N 3.45Å; N402-A404 WeakPolarHBondContact OD1-CB 3.35Å; N402-A404 PolarHBondContact OD1-N 3.21Å
405	V	95.3	Very high	96.2	Very high	79 Å²	79	56.6 Å²	56.6	48%	0.479	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-10.5	179.3	-63.1	0	0	0	0	113.2	N402 H407	N402-V405 HydrophobicContact CB-CG2 3.67Å; N402-V405 VanDerWaalsContact CG-CG2 3.49Å; N402-V405 PolarHBondContact O-N 2.95Å; V405-H407 VanDerWaalsContact C-N 3.34Å; V405-H407 HydrophobicContact CG2-CB 3.96Å; V405-H407 PolarHBondContact O-N 3.05Å; V405-H407 PolarHBondContact O-ND1 3.02Å
406	K	95.5	Very high	95.7	Very high	92 Å²	92	59.7 Å²	59.7	40%	0.4	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	46.1	-172.5	-60.6	-172.3	172.5	-165.2	0	112.6	E337 H364 W401 N402	E337-K406 IonicContact OE1-NZ 3.18Å; E337-K406 IonicContact OE2-NZ 3.65Å; H364-K406 PolarHBondContact CE1-O 2.73Å; H364-K406 PolarHBondContact NE2-O 3.42Å; W401-K406 HydrophobicContact CH2-CB 3.86Å; W401-K406 WeakPolarHBondContact CH2-O 3.26Å; W401-K406 VanDerWaalsContact CZ2-CA 3.42Å; W401-K406 HydrophobicContact CZ2-CB 3.61Å; W401-K406 HydrophobicContact CZ2-CG 4.15Å; W401-K406 VanDerWaalsContact CZ3-C 3.5Å; W401-K406 WeakPolarHBondContact CZ3-O 3.5Å; N402-K406 VanDerWaalsContact O-CA 3.25Å; N402-K406 WeakPolarHBondContact O-CA 3.29Å; N402-K406 PolarHBondContact O-N 3.38Å
407	H	97.1	Very high	95.1	Very high	66 Å²	66	59.8 Å²	59.8	31%	0.306	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	160.9	178.1	-74.3	77.5	0	0	0	110.1	N402 V405	N402-H407 WeakPolarHBondContact CB-O 3.23Å; N402-H407 PolarHBondContact N-O 3.4Å; N402-H407 PolarHBondContact O-N 3.09Å; V405-H407 VanDerWaalsContact C-N 3.34Å; V405-H407 HydrophobicContact CG2-CB 3.96Å; V405-H407 PolarHBondContact O-N 3.05Å; V405-H407 PolarHBondContact O-ND1 3.02Å
408	F	98.3	Very high	94.8	Very high	3 Å²	3	64.4 Å²	64.4	1%	0.013	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	119.7	172.2	-79.5	-81	0	0	0	111.1	F332 I334 I353 Q365 L367 L387 Y399 Q400 W401	F332-F408 AromaticContact CE2-CE2 4Å; F332-F408 HydrophobicContact CE2-CE2 4Å; F332-F408 HydrophobicContact CE2-CZ 4.19Å; F332-F408 HydrophobicContact CZ-CE2 4.01Å; F332-F408 HydrophobicContact CZ-CZ 4.4Å; I334-F408 HydrophobicContact CD1-CE2 4.09Å; I334-F408 HydrophobicContact CD1-CZ 3.75Å; I353-F408 HydrophobicContact CD1-CD2 3.35Å; I353-F408 HydrophobicContact CD1-CE2 3.8Å; I353-F408 HydrophobicContact CD1-CG 4.32Å; Q365-F408 PolarHBondContact NE2-O 3.4Å; L367-F408 HydrophobicContact CD2-CB 4.38Å; L387-F408 HydrophobicContact CB-CD1 4.41Å; L387-F408 HydrophobicContact CB-CE1 4.35Å; L387-F408 HydrophobicContact CD1-CD1 4.03Å; L387-F408 HydrophobicContact CD1-CD2 3.7Å; L387-F408 HydrophobicContact CD1-CE1 3.99Å; L387-F408 HydrophobicContact CD1-CE2 3.62Å; L387-F408 HydrophobicContact CD1-CG 3.89Å; L387-F408 HydrophobicContact CD1-CZ 3.76Å; L387-F408 HydrophobicContact CD2-CZ 4.49Å; L387-F408 HydrophobicContact CG-CD1 4.04Å; L387-F408 HydrophobicContact CG-CD2 4.45Å; L387-F408 HydrophobicContact CG-CE1 3.67Å; L387-F408 HydrophobicContact CG-CE2 4.1Å; L387-F408 HydrophobicContact CG-CG 4.41Å; L387-F408 HydrophobicContact CG-CZ 3.69Å; Y399-F408 HydrophobicContact CD1-CB 4.4Å; Q400-F408 WeakPolarHBondContact O-CA 3.22Å; W401-F408 HydrophobicContact CB-CD1 4.23Å; W401-F408 HydrophobicContact CB-CE1 3.88Å; W401-F408 HydrophobicContact CB-CZ 4.27Å; W401-F408 HydrophobicContact CE3-CD1 4.42Å; W401-F408 AromaticContact CE3-CD2 3.54Å; W401-F408 HydrophobicContact CE3-CD2 3.54Å; W401-F408 HydrophobicContact CE3-CE1 4.31Å; W401-F408 AromaticContact CE3-CE2 3.43Å; W401-F408 HydrophobicContact CE3-CE2 3.43Å; W401-F408 VanDerWaalsContact CE3-CE2 3.43Å; W401-F408 HydrophobicContact CE3-CG 4.06Å; W401-F408 AromaticContact CE3-CZ 3.85Å; W401-F408 HydrophobicContact CE3-CZ 3.85Å; W401-F408 AromaticContact CZ3-CD2 3.84Å; W401-F408 HydrophobicContact CZ3-CD2 3.84Å; W401-F408 AromaticContact CZ3-CE2 3.77Å; W401-F408 HydrophobicContact CZ3-CE2 3.77Å
409	D	97.8	Very high	94.5	Very high	60 Å²	60	67.5 Å²	67.5	32%	0.321	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	136.3	175.8	-66.4	-38.1	0	0	0	110.1	Y399 Q400 N402 R411	Y399-D409 CarbonylContact C-O 3.57Å; Y399-D409 VanDerWaalsContact CA-O 3.31Å; Y399-D409 WeakPolarHBondContact CA-O 3.33Å; Q400-D409 PolarHBondContact N-O 2.76Å; Q400-D409 PolarHBondContact O-N 2.84Å; N402-D409 WeakPolarHBondContact CB-OD2 3.47Å; N402-D409 PolarHBondContact ND2-OD2 3.46Å; D409-R411 PolarHBondContact O-N 2.81Å
410	R	97	Very high	94.5	Very high	140 Å²	140	66.9 Å²	66.9	53%	0.528	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	128.3	176.1	-174.9	179.1	-175.2	-78.6	-2.7	109.5	V397 Y399	V397-R410 HydrophobicContact CG1-CG 3.69Å; Y399-R410 HydrophobicContact CD1-CB 4.05Å; Y399-R410 HydrophobicContact CE1-CB 3.78Å; Y399-R410 HydrophobicContact CE1-CG 4.38Å
411	R	95.1	Very high	94.5	Very high	146 Å²	146	68.3 Å²	68.3	55%	0.551	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.2	-65.8	178.6	-71.8	-60.3	-158.5	-171.9	-2.8	112.6	I398 Q400 D409	I398-R411 PolarHBondContact O-N 3.43Å; Q400-R411 HydrophobicContact CB-CG 3.51Å; Q400-R411 VanDerWaalsContact CD-NH2 3.28Å; D409-R411 PolarHBondContact O-N 2.81Å
412	T	95	Very high	94.5	Very high	64 Å²	64	68.2 Å²	68.2	39%	0.393	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	161.2	-172.5	-169.5	0	0	0	0	110.2	I398	I398-T412 HydrophobicContact CB-CG2 4.27Å; I398-T412 HydrophobicContact CD1-CG2 4Å; I398-T412 HydrophobicContact CG1-CG2 4.34Å; I398-T412 PolarHBondContact N-O 2.75Å; I398-T412 PolarHBondContact O-N 3.32Å
413	D	94.8	Very high	94.6	Very high	49 Å²	49	65.6 Å²	65.6	26%	0.262	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	156.2	161.2	54.6	-52.6	0	0	0	111.3	R395 P396 P415	R395-D413 HydrophobicContact CB-CB 4.13Å; R395-D413 VanDerWaalsContact CD-OD2 3.28Å; R395-D413 WeakPolarHBondContact CD-OD2 3.35Å; R395-D413 IonicContact NH1-OD2 3.68Å; R395-D413 PolarHBondContact NH1-OD2 2.98Å; P396-D413 CarbonylContact O-C 3.57Å; P396-D413 VanDerWaalsContact O-CA 3.3Å; P396-D413 WeakPolarHBondContact O-CA 3.32Å; D413-P415 WeakPolarHBondContact O-CD 3.15Å
414	I	95.6	Very high	94.8	Very high	2 Å²	2	61 Å²	61	1%	0.01	31%	0.306	C	S	.	.			trans	-81.8	114	164.5	-58.8	-176.1	0	0	0	107	I388 P396 I398 I434 L436 M446 F453	I388-I414 HydrophobicContact CG2-CD1 4.28Å; P396-I414 HydrophobicContact CB-CB 4.2Å; P396-I414 HydrophobicContact CB-CD1 3.96Å; P396-I414 HydrophobicContact CB-CG1 4.15Å; P396-I414 HydrophobicContact CG-CB 4.42Å; P396-I414 PolarHBondContact O-N 3.2Å; I398-I414 HydrophobicContact CD1-CD1 4.37Å; I398-I414 HydrophobicContact CD1-CG1 3.92Å; I398-I414 HydrophobicContact CG1-CD1 4.41Å; I398-I414 HydrophobicContact CG1-CG1 3.99Å; I414-I434 HydrophobicContact CD1-CD1 3.67Å; I414-L436 HydrophobicContact CG2-CD1 4.49Å; I414-M446 HydrophobicContact CG2-CE 4.36Å; I414-M446 HydrophobicContact CG2-SD 3.84Å; I414-F453 HydrophobicContact CD1-CD2 4.03Å; I414-F453 HydrophobicContact CG1-CD2 4.42Å
415	P	89.8	Confident	94.9	Very high	51 Å²	51	59.3 Å²	59.3	33%	0.331	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	164.3	-174.1	30.8	-36	0	0	0	111.9	D413 M417	D413-P415 WeakPolarHBondContact O-CD 3.15Å; P415-M417 PolarHBondContact O-N 2.94Å
416	E	84.9	Confident	95.1	Very high	159 Å²	159	56.1 Å²	56.1	74%	0.743	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.7	16.3	169.4	-58.7	175.7	-177.1	0	0	115.7
417	M	85.6	Confident	95.1	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.005	27%	0.267	C	S	.	.			trans	-136.1	105.9	176.3	-77.8	-64.7	-84.9	0	0	111.1	R395 P396 P415 V420 L436 R438 K444 M446	R395-M417 WeakPolarHBondContact CA-O 3.21Å; R395-M417 WeakPolarHBondContact CG-O 3.29Å; P396-M417 VanDerWaalsContact CD-O 3.29Å; P396-M417 WeakPolarHBondContact CD-O 3.35Å; P415-M417 PolarHBondContact O-N 2.94Å; M417-V420 HydrophobicContact CB-CG2 3.88Å; M417-V420 HydrophobicContact CE-CG2 4.01Å; M417-L436 HydrophobicContact CB-CD1 4.23Å; M417-L436 HydrophobicContact CE-CB 3.8Å; M417-L436 HydrophobicContact CE-CD1 3.77Å; M417-L436 HydrophobicContact CE-CG 4.47Å; M417-L436 HydrophobicContact CG-CD1 3.82Å; M417-R438 HydrophobicContact CE-CG 4.25Å; M417-K444 HydrophobicContact CE-CB 4.02Å; M417-K444 HydrophobicContact CE-CD 3.87Å; M417-K444 HydrophobicContact CE-CG 3.69Å; M417-K444 HydrophobicContact CG-CD 4.14Å; M417-K444 HydrophobicContact SD-CD 3.42Å; M417-K444 WeakPolarHBondContact SD-CD 3.36Å; M417-K444 WeakPolarHBondContact SD-CE 3.4Å; M417-K444 HydrophobicContact SD-CG 3.93Å; M417-M446 HydrophobicContact CG-CE 3.55Å
418	E	89.8	Confident	94.9	Very high	103 Å²	103	54.9 Å²	54.9	48%	0.481	26%	0.259	S	S	.	.			trans	-109.5	155.7	174.5	-67.3	176.4	-174	0	0	110.3	R395 V420 R438	R395-E418 HydrophobicContact CG-CG 3.83Å; R395-E418 IonicContact NE-OE1 2.87Å; R395-E418 IonicContact NH2-OE1 3.05Å; E418-V420 VanDerWaalsContact C-N 3.25Å; E418-V420 PolarHBondContact O-N 3.15Å; E418-R438 VanDerWaalsContact O-CZ 3.27Å; E418-R438 PolarHBondContact O-NE 3.03Å; E418-R438 PolarHBondContact O-NH2 3.07Å
419	D	93.2	Very high	94.4	Very high	73 Å²	73	63.7 Å²	63.7	39%	0.39	30%	0.297	S	S	.	.	S	Bend	trans	56.5	38.8	-178.3	-74.6	-52.1	0	0	0	113	S393 Q394 Y421	S393-D419 WeakPolarHBondContact CA-OD1 3.23Å; S393-D419 PolarHBondContact N-OD1 3Å; S393-D419 PolarHBondContact OG-OD1 2.87Å; Q394-D419 PolarHBondContact O-N 2.72Å; D419-Y421 PolarHBondContact O-N 2.78Å
420	V	97.4	Very high	94.1	Very high	2 Å²	2	66.1 Å²	66.1	1%	0.012	32%	0.319	C	S	.	.			trans	-72.6	126.3	168.3	178.9	0	0	0	0	108.3	S390 P396 M417 E418 V423 L436	S390-V420 WeakPolarHBondContact CB-O 3.43Å; P396-V420 HydrophobicContact CG-CB 3.71Å; P396-V420 HydrophobicContact CG-CG1 4.02Å; P396-V420 HydrophobicContact CG-CG2 3.63Å; M417-V420 HydrophobicContact CB-CG2 3.88Å; M417-V420 HydrophobicContact CE-CG2 4.01Å; E418-V420 VanDerWaalsContact C-N 3.25Å; E418-V420 PolarHBondContact O-N 3.15Å; V420-V423 HydrophobicContact CG1-CG2 4.15Å; V420-L436 HydrophobicContact CG1-CB 4.19Å; V420-L436 HydrophobicContact CG1-CD2 4.17Å
421	Y	97.9	Very high	93.9	Very high	60 Å²	60	61.7 Å²	61.7	24%	0.235	31%	0.306	C	S	.	.			trans	-81.3	-45.9	178.6	178.5	-99.4	0	0	0	111.7	N327 T374 D375 S390 D419 T437 M465	N327-Y421 PolarHBondContact ND2-OH 2.77Å; T374-Y421 VanDerWaalsContact CB-O 3.28Å; T374-Y421 WeakPolarHBondContact CB-O 3.44Å; T374-Y421 HydrophobicContact CG2-CD2 4.33Å; T374-Y421 HydrophobicContact CG2-CE2 4.46Å; T374-Y421 PolarHBondContact OG1-O 3.05Å; D375-Y421 WeakPolarHBondContact CB-O 3.44Å; S390-Y421 WeakPolarHBondContact CB-O 3.19Å; D419-Y421 PolarHBondContact O-N 2.78Å; Y421-T437 PolarHBondContact N-O 2.85Å; Y421-M465 WeakPolarHBondContact CD1-O 3.47Å; Y421-M465 HydrophobicContact CD2-SD 4.43Å; Y421-M465 HydrophobicContact CE1-CB 4.42Å; Y421-M465 HydrophobicContact CE1-CE 4.41Å; Y421-M465 VanDerWaalsContact CE1-O 3.23Å; Y421-M465 WeakPolarHBondContact CE1-O 3.25Å; Y421-M465 HydrophobicContact CE1-SD 4.44Å; Y421-M465 HydrophobicContact CE2-CE 3.85Å; Y421-M465 HydrophobicContact CE2-SD 4.18Å
422	A	98.3	Very high	94	Very high	8 Å²	8	55.3 Å²	55.3	7%	0.066	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	152.4	-177.7	0	0	0	0	0	112.3	D375 T437	D375-A422 HydrophobicContact CB-CB 3.75Å; D375-A422 WeakPolarHBondContact OD2-CA 3.35Å; A422-T437 PolarHBondContact O-N 2.69Å
423	V	98.6	Very high	94.2	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	132.6	172.4	-176.9	0	0	0	0	109	D375 E377 I388 S390 P396 V420 I434 C435 L436	D375-V423 PolarHBondContact OD2-N 2.82Å; E377-V423 HydrophobicContact CB-CB 4.23Å; E377-V423 HydrophobicContact CB-CG1 4.43Å; E377-V423 WeakPolarHBondContact CB-O 3.16Å; E377-V423 HydrophobicContact CG-CG1 4.46Å; I388-V423 HydrophobicContact CD1-CG1 4.16Å; I388-V423 HydrophobicContact CG2-CB 4.24Å; I388-V423 HydrophobicContact CG2-CG1 4.33Å; I388-V423 HydrophobicContact CG2-CG2 3.79Å; S390-V423 WeakPolarHBondContact OG-CG2 3.18Å; P396-V423 HydrophobicContact CB-CG2 4.47Å; V420-V423 HydrophobicContact CG1-CG2 4.15Å; V423-I434 HydrophobicContact CG1-CB 3.97Å; V423-I434 HydrophobicContact CG1-CD1 4.39Å; V423-I434 HydrophobicContact CG1-CG2 4.13Å; V423-C435 WeakPolarHBondContact CA-O 3.21Å; V423-L436 HydrophobicContact CB-CD2 4.12Å; V423-L436 HydrophobicContact CG1-CD2 3.91Å; V423-L436 HydrophobicContact CG2-CD2 3.34Å
424	K	98.6	Very high	94.4	Very high	30 Å²	30	50.5 Å²	50.5	13%	0.13	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	133.1	168.3	-67.6	-70.1	155.8	-154.1	0	110.1	E330 D375 E377 I434 C435 P469	E330-K424 IonicContact OE2-NZ 3.12Å; E330-K424 PolarHBondContact OE2-NZ 2.91Å; D375-K424 IonicContact OD1-NZ 3.96Å; E377-K424 WeakPolarHBondContact OE2-CD 3.33Å; E377-K424 IonicContact OE2-NZ 3.74Å; E377-K424 PolarHBondContact OE2-NZ 3.03Å; K424-I434 CarbonylContact O-C 3.26Å; K424-I434 WeakPolarHBondContact O-CA 3.44Å; K424-C435 PolarHBondContact N-O 3.09Å; K424-C435 PolarHBondContact O-N 3.36Å; K424-P469 VanDerWaalsContact CB-CD 3.48Å; K424-P469 HydrophobicContact CB-CG 4.03Å
425	H	98.4	Very high	94.5	Very high	58 Å²	58	50.4 Å²	50.4	27%	0.269	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	157	-178.6	81.8	-78	0	0	0	112.7	E377 Y378 L379 L432 Y433 I434	E377-H425 IonicContact OE1-CE1 3.45Å; E377-H425 IonicContact OE1-CG 2.76Å; E377-H425 PolarHBondContact OE1-N 2.88Å; E377-H425 IonicContact OE1-ND1 3.51Å; E377-H425 PolarHBondContact OE1-ND1 2.5Å; Y378-H425 PolarHBondContact O-CE1 3.39Å; Y378-H425 PolarHBondContact O-ND1 2.78Å; L379-H425 HydrophobicContact CB-CB 4.34Å; L379-H425 HydrophobicContact CD1-CB 4.29Å; H425-L432 HydrophobicContact CB-CD1 4.33Å; H425-Y433 VanDerWaalsContact CA-O 3.32Å; H425-Y433 WeakPolarHBondContact CA-O 3.43Å; H425-Y433 WeakPolarHBondContact CB-O 3.36Å; H425-I434 HydrophobicContact CB-CG2 3.9Å
426	F	97.6	Very high	94.9	Very high	12 Å²	12	48 Å²	48	5%	0.053	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	162.8	168.5	68.7	-77.5	0	0	0	110.5	V428 Y433 V445 P469 Q476 W492 F499	F426-V428 HydrophobicContact CD2-CG2 3.82Å; F426-V428 HydrophobicContact CE2-CG2 3.73Å; F426-Y433 HydrophobicContact CD2-CD2 4.29Å; F426-Y433 HydrophobicContact CE1-CG 4.17Å; F426-Y433 AromaticContact CE2-CD2 3.8Å; F426-Y433 HydrophobicContact CE2-CD2 3.8Å; F426-Y433 AromaticContact CE2-CG 3.87Å; F426-Y433 HydrophobicContact CE2-CG 3.87Å; F426-Y433 HydrophobicContact CZ-CD1 4.26Å; F426-Y433 HydrophobicContact CZ-CD2 4.07Å; F426-Y433 AromaticContact CZ-CG 3.63Å; F426-Y433 HydrophobicContact CZ-CG 3.63Å; F426-Y433 PolarHBondContact N-O 2.89Å; F426-Y433 PolarHBondContact O-N 2.91Å; F426-Y433 VanDerWaalsContact O-O 3.14Å; F426-V445 HydrophobicContact CE1-CG1 4.1Å; F426-V445 HydrophobicContact CZ-CG1 4.06Å; F426-P469 HydrophobicContact CB-CB 3.69Å; F426-P469 HydrophobicContact CB-CG 3.91Å; F426-P469 HydrophobicContact CD1-CB 3.58Å; F426-P469 HydrophobicContact CD1-CG 3.86Å; F426-P469 HydrophobicContact CE1-CB 4.4Å; F426-P469 HydrophobicContact CG-CB 3.75Å; F426-P469 HydrophobicContact CG-CG 4.24Å; F426-Q476 HydrophobicContact CD2-CG 4.15Å; F426-Q476 HydrophobicContact CE2-CG 4.36Å; F426-W492 HydrophobicContact CE2-CE3 4.1Å; F426-W492 AromaticContact CE2-CZ3 3.98Å; F426-W492 HydrophobicContact CE2-CZ3 3.98Å; F426-W492 HydrophobicContact CZ-CE3 4.29Å; F426-W492 AromaticContact CZ-CZ3 3.87Å; F426-W492 HydrophobicContact CZ-CZ3 3.87Å; F426-F499 AromaticContact CE1-CE2 3.82Å; F426-F499 HydrophobicContact CE1-CE2 3.82Å; F426-F499 HydrophobicContact CE1-CZ 4.23Å; F426-F499 AromaticContact CE2-CE2 3.98Å; F426-F499 HydrophobicContact CE2-CE2 3.98Å; F426-F499 AromaticContact CE2-CZ 3.86Å; F426-F499 HydrophobicContact CE2-CZ 3.86Å; F426-F499 HydrophobicContact CZ-CD2 4.46Å; F426-F499 AromaticContact CZ-CE2 3.36Å; F426-F499 HydrophobicContact CZ-CE2 3.36Å; F426-F499 AromaticContact CZ-CZ 3.72Å; F426-F499 HydrophobicContact CZ-CZ 3.72Å
427	Q	95.5	Very high	95.5	Very high	107 Å²	107	40.5 Å²	40.5	50%	0.5	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	134.2	179.1	-66.5	-178.3	0.8	0	0	109.6	D431 L432	Q427-D431 WeakPolarHBondContact CA-O 3.45Å; Q427-L432 HydrophobicContact CG-CD1 3.94Å
428	V	94	Very high	96.1	Very high	25 Å²	25	43.5 Å²	43.5	15%	0.152	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	117.9	170	-179.2	0	0	0	0	107.2	F426 S430 D431 Y433 Q476 W492	F426-V428 HydrophobicContact CD2-CG2 3.82Å; F426-V428 HydrophobicContact CE2-CG2 3.73Å; V428-S430 PolarHBondContact O-N 3.07Å; V428-D431 PolarHBondContact N-O 3.14Å; V428-D431 PolarHBondContact O-N 2.99Å; V428-Y433 HydrophobicContact CB-CE2 4.01Å; V428-Y433 HydrophobicContact CG2-CE2 4.38Å; V428-Q476 HydrophobicContact CG2-CG 4.02Å; V428-W492 HydrophobicContact CG2-CD2 4.23Å; V428-W492 HydrophobicContact CG2-CG 4.43Å; V428-W492 HydrophobicContact CG2-CZ2 4.46Å
429	K	88.8	Confident	96.4	Very high	187 Å²	187	42.3 Å²	42.3	81%	0.813	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.3	-116.2	-169.2	-55.9	173.1	179.7	174.7	0	110
430	S	89.9	Confident	96.5	Very high	111 Å²	111	43.8 Å²	43.8	78%	0.776	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.3	-3	177.2	57	0	0	0	0	113.3	V428	V428-S430 PolarHBondContact O-N 3.07Å
431	D	94.3	Very high	96.3	Very high	47 Å²	47	45.3 Å²	45.3	25%	0.251	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	132.1	-176	-71.7	-49.9	0	0	0	110.3	Q427 V428 Y433 R447	Q427-D431 WeakPolarHBondContact CA-O 3.45Å; V428-D431 PolarHBondContact N-O 3.14Å; V428-D431 PolarHBondContact O-N 2.99Å; D431-Y433 HydrophobicContact CB-CD2 4.33Å; D431-Y433 HydrophobicContact CB-CE2 3.39Å; D431-Y433 WeakPolarHBondContact O-CD2 3.44Å; D431-Y433 WeakPolarHBondContact O-CE2 3.44Å; D431-R447 IonicContact OD1-CZ 2.9Å; D431-R447 IonicContact OD1-NE 2.85Å; D431-R447 PolarHBondContact OD1-NE 2.74Å; D431-R447 IonicContact OD1-NH2 3.38Å; D431-R447 PolarHBondContact OD1-NH2 3.11Å; D431-R447 IonicContact OD2-CZ 3.26Å; D431-R447 IonicContact OD2-NE 3.4Å; D431-R447 IonicContact OD2-NH2 2.82Å; D431-R447 PolarHBondContact OD2-NH2 3.13Å; D431-R447 VanDerWaalsContact OD2-NH2 3.12Å
432	L	97.2	Very high	96.2	Very high	13 Å²	13	46 Å²	46	7%	0.068	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	133.3	177.7	174.8	68.3	0	0	0	110.1	L379 I381 H425 Q427 W448 F453	L379-L432 HydrophobicContact CD1-CD1 4.32Å; L379-L432 HydrophobicContact CD1-CD2 3.9Å; I381-L432 HydrophobicContact CG1-CD2 3.8Å; H425-L432 HydrophobicContact CB-CD1 4.33Å; Q427-L432 HydrophobicContact CG-CD1 3.94Å; L432-W448 HydrophobicContact CB-CB 4.04Å; L432-W448 HydrophobicContact CD2-CB 4.21Å; L432-W448 HydrophobicContact CD2-CG 4.42Å; L432-W448 HydrophobicContact CG-CB 4.34Å; L432-W448 PolarHBondContact O-N 3.38Å; L432-F453 HydrophobicContact CD2-CE1 4.35Å; L432-F453 HydrophobicContact CD2-CZ 4.15Å; L432-F453 HydrophobicContact CG-CE1 4.39Å
433	Y	98	Very high	96.2	Very high	12 Å²	12	45.6 Å²	45.6	5%	0.047	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	158.3	178.9	-57.5	-94.2	0	0	0	110.9	H425 F426 V428 D431 M446 R447 L456 W492	H425-Y433 VanDerWaalsContact CA-O 3.32Å; H425-Y433 WeakPolarHBondContact CA-O 3.43Å; H425-Y433 WeakPolarHBondContact CB-O 3.36Å; F426-Y433 HydrophobicContact CD2-CD2 4.29Å; F426-Y433 HydrophobicContact CE1-CG 4.17Å; F426-Y433 AromaticContact CE2-CD2 3.8Å; F426-Y433 HydrophobicContact CE2-CD2 3.8Å; F426-Y433 AromaticContact CE2-CG 3.87Å; F426-Y433 HydrophobicContact CE2-CG 3.87Å; F426-Y433 HydrophobicContact CZ-CD1 4.26Å; F426-Y433 HydrophobicContact CZ-CD2 4.07Å; F426-Y433 AromaticContact CZ-CG 3.63Å; F426-Y433 HydrophobicContact CZ-CG 3.63Å; F426-Y433 PolarHBondContact N-O 2.89Å; F426-Y433 PolarHBondContact O-N 2.91Å; F426-Y433 VanDerWaalsContact O-O 3.14Å; V428-Y433 HydrophobicContact CB-CE2 4.01Å; V428-Y433 HydrophobicContact CG2-CE2 4.38Å; D431-Y433 HydrophobicContact CB-CD2 4.33Å; D431-Y433 HydrophobicContact CB-CE2 3.39Å; D431-Y433 WeakPolarHBondContact O-CD2 3.44Å; D431-Y433 WeakPolarHBondContact O-CE2 3.44Å; Y433-M446 CarbonylContact C-O 3.45Å; Y433-M446 WeakPolarHBondContact CA-O 3.47Å; Y433-M446 WeakPolarHBondContact CB-O 3.32Å; Y433-R447 HydrophobicContact CD1-CB 3.69Å; Y433-R447 HydrophobicContact CD1-CG 3.94Å; Y433-R447 HydrophobicContact CE1-CB 3.64Å; Y433-R447 HydrophobicContact CE1-CG 3.56Å; Y433-L456 HydrophobicContact CD1-CD2 4.01Å; Y433-L456 HydrophobicContact CE1-CD2 3.83Å; Y433-W492 HydrophobicContact CD1-CH2 4.14Å; Y433-W492 AromaticContact CE1-CH2 3.65Å; Y433-W492 HydrophobicContact CE1-CH2 3.65Å; Y433-W492 HydrophobicContact CE1-CZ2 4.27Å; Y433-W492 HydrophobicContact CE2-CH2 4.27Å; Y433-W492 HydrophobicContact CE2-CZ2 4.36Å; Y433-W492 AromaticContact CZ-CH2 3.73Å; Y433-W492 AromaticContact CZ-CZ2 3.89Å
434	I	98.3	Very high	96.2	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	143.1	172.4	60.1	176.6	0	0	0	110.7	L379 I388 I414 V423 K424 H425 L436 V445 M446 F453	L379-I434 HydrophobicContact CD1-CG2 4.47Å; I388-I434 HydrophobicContact CD1-CG2 4.4Å; I414-I434 HydrophobicContact CD1-CD1 3.67Å; V423-I434 HydrophobicContact CG1-CB 3.97Å; V423-I434 HydrophobicContact CG1-CD1 4.39Å; V423-I434 HydrophobicContact CG1-CG2 4.13Å; K424-I434 CarbonylContact O-C 3.26Å; K424-I434 WeakPolarHBondContact O-CA 3.44Å; H425-I434 HydrophobicContact CB-CG2 3.9Å; I434-L436 HydrophobicContact CD1-CD2 3.93Å; I434-L436 HydrophobicContact CD1-CG 4.36Å; I434-L436 HydrophobicContact CG1-CD2 4.43Å; I434-V445 CarbonylContact O-C 3.58Å; I434-V445 WeakPolarHBondContact O-CA 3.31Å; I434-M446 HydrophobicContact CD1-CB 4.32Å; I434-M446 HydrophobicContact CG1-CB 3.8Å; I434-M446 PolarHBondContact N-O 2.88Å; I434-M446 PolarHBondContact O-N 2.78Å; I434-F453 HydrophobicContact CB-CE1 4.36Å; I434-F453 HydrophobicContact CD1-CB 4.08Å; I434-F453 HydrophobicContact CD1-CD1 3.6Å; I434-F453 HydrophobicContact CD1-CD2 3.75Å; I434-F453 HydrophobicContact CD1-CE1 3.88Å; I434-F453 HydrophobicContact CD1-CE2 4.02Å; I434-F453 HydrophobicContact CD1-CG 3.52Å; I434-F453 HydrophobicContact CD1-CZ 4.09Å; I434-F453 HydrophobicContact CG1-CD1 3.69Å; I434-F453 HydrophobicContact CG1-CE1 3.89Å; I434-F453 HydrophobicContact CG1-CG 4.14Å; I434-F453 HydrophobicContact CG1-CZ 4.48Å; I434-F453 HydrophobicContact CG2-CD1 4.38Å; I434-F453 HydrophobicContact CG2-CE1 3.68Å; I434-F453 HydrophobicContact CG2-CZ 3.79Å
435	C	98.5	Very high	96.2	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	119.9	168.8	-68.8	0	0	0	0	108.2	V423 K424 F467	V423-C435 WeakPolarHBondContact CA-O 3.21Å; K424-C435 PolarHBondContact N-O 3.09Å; K424-C435 PolarHBondContact O-N 3.36Å; C435-F467 HydrophobicContact CB-CB 4.29Å; C435-F467 HydrophobicContact CB-CD1 3.62Å; C435-F467 HydrophobicContact CB-CD2 4.37Å; C435-F467 HydrophobicContact CB-CE1 3.97Å; C435-F467 HydrophobicContact CB-CG 3.83Å; C435-F467 HydrophobicContact CB-CZ 4.49Å
436	L	98.4	Very high	96.1	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	120.2	175.4	-59.3	-178.6	0	0	0	109	I414 M417 V420 V423 I434 S443 K444 M446	I414-L436 HydrophobicContact CG2-CD1 4.49Å; M417-L436 HydrophobicContact CB-CD1 4.23Å; M417-L436 HydrophobicContact CE-CB 3.8Å; M417-L436 HydrophobicContact CE-CD1 3.77Å; M417-L436 HydrophobicContact CE-CG 4.47Å; M417-L436 HydrophobicContact CG-CD1 3.82Å; V420-L436 HydrophobicContact CG1-CB 4.19Å; V420-L436 HydrophobicContact CG1-CD2 4.17Å; V423-L436 HydrophobicContact CB-CD2 4.12Å; V423-L436 HydrophobicContact CG1-CD2 3.91Å; V423-L436 HydrophobicContact CG2-CD2 3.34Å; I434-L436 HydrophobicContact CD1-CD2 3.93Å; I434-L436 HydrophobicContact CD1-CG 4.36Å; I434-L436 HydrophobicContact CG1-CD2 4.43Å; L436-S443 VanDerWaalsContact O-CA 3.27Å; L436-S443 WeakPolarHBondContact O-CA 3.29Å; L436-S443 WeakPolarHBondContact O-CB 3.38Å; L436-S443 PolarHBondContact O-OG 3.03Å; L436-K444 PolarHBondContact N-O 3.42Å; L436-K444 PolarHBondContact O-N 2.58Å; L436-M446 HydrophobicContact CD1-CE 3.63Å; L436-M446 HydrophobicContact CD1-CG 4.21Å; L436-M446 HydrophobicContact CD1-SD 3.58Å; L436-M446 VanDerWaalsContact CD1-SD 3.58Å
437	T	98.4	Very high	96.1	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.006	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	132.7	-178.7	-48.3	0	0	0	0	110.7	Y421 A422 S443 F467	Y421-T437 PolarHBondContact N-O 2.85Å; A422-T437 PolarHBondContact O-N 2.69Å; T437-S443 WeakPolarHBondContact CA-OG 3.44Å; T437-F467 HydrophobicContact CG2-CB 4.29Å; T437-F467 WeakPolarHBondContact OG1-CB 3.06Å; T437-F467 PolarHBondContact OG1-N 2.82Å; T437-F467 VanDerWaalsContact OG1-N 3.13Å
438	R	97	Very high	96.1	Very high	65 Å²	65	44.7 Å²	44.7	25%	0.245	22%	0.224	C	C	.	.			trans	-123	145.7	167.5	-66.2	-173.5	74.8	179.8	1.5	110.7	M417 E418 D442 S443 S461 S464	M417-R438 HydrophobicContact CE-CG 4.25Å; E418-R438 VanDerWaalsContact O-CZ 3.27Å; E418-R438 PolarHBondContact O-NE 3.03Å; E418-R438 PolarHBondContact O-NH2 3.07Å; R438-D442 WeakPolarHBondContact CD-O 3.24Å; R438-S443 PolarHBondContact N-OG 2.94Å; R438-S461 WeakPolarHBondContact O-CB 3.48Å; R438-S461 PolarHBondContact O-OG 2.8Å; R438-S464 WeakPolarHBondContact O-CB 3.47Å
439	F	96.4	Very high	96.1	Very high	77 Å²	77	47.3 Å²	47.3	34%	0.338	24%	0.237	S	C	.	.	S	Bend	trans	-64.2	-50.8	177	-173.9	-108.6	0	0	0	112.2	G463 S464 M465 Y484	F439-G463 VanDerWaalsContact CE2-CA 3.45Å; F439-G463 CarbonylContact O-C 3.55Å; F439-G463 WeakPolarHBondContact O-CA 3.28Å; F439-G463 PolarHBondContact O-N 3.28Å; F439-S464 VanDerWaalsContact CA-O 3.24Å; F439-S464 WeakPolarHBondContact CA-O 3.38Å; F439-S464 PolarHBondContact O-N 3.14Å; F439-M465 HydrophobicContact CD2-CG 4.2Å; F439-M465 HydrophobicContact CD2-SD 3.64Å; F439-M465 HydrophobicContact CE2-CG 4.35Å; F439-M465 HydrophobicContact CE2-SD 4.08Å; F439-Y484 HydrophobicContact CZ-CE2 4.41Å; F439-Y484 AromaticContact CZ-CZ 3.99Å; F439-Y484 WeakPolarHBondContact CZ-OH 3.48Å
440	I	94.6	Very high	96.2	Very high	105 Å²	105	41 Å²	41	54%	0.538	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	150.8	177	-68.8	167.4	0	0	0	108.4
441	G	94.3	Very high	96.3	Very high	33 Å²	33	39.2 Å²	39.2	34%	0.34	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	98.3	-129.9	-176.1	0	0	0	0	0	109.1	S461	G441-S461 PolarHBondContact O-N 2.84Å
442	D	96.1	Very high	96.3	Very high	74 Å²	74	39.4 Å²	39.4	40%	0.396	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	116.2	-168.3	-76.1	-27.7	0	0	0	111.1	R438 T458	R438-D442 WeakPolarHBondContact CD-O 3.24Å; D442-T458 HydrophobicContact CB-CG2 3.49Å; D442-T458 VanDerWaalsContact CB-CG2 3.49Å
443	S	97.8	Very high	96.2	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	152	165.4	-73.5	0	0	0	0	108.5	L436 T437 R438 T458 M459 S461	L436-S443 VanDerWaalsContact O-CA 3.27Å; L436-S443 WeakPolarHBondContact O-CA 3.29Å; L436-S443 WeakPolarHBondContact O-CB 3.38Å; L436-S443 PolarHBondContact O-OG 3.03Å; T437-S443 WeakPolarHBondContact CA-OG 3.44Å; R438-S443 PolarHBondContact N-OG 2.94Å; S443-T458 WeakPolarHBondContact O-CA 3.24Å; S443-M459 PolarHBondContact N-O 3.18Å; S443-M459 PolarHBondContact O-N 2.84Å; S443-S461 WeakPolarHBondContact CB-OG 3.4Å; S443-S461 PolarHBondContact N-OG 3.48Å; S443-S461 VanDerWaalsContact N-OG 3.16Å; S443-S461 PolarHBondContact OG-OG 2.86Å
444	K	97.8	Very high	96.1	Very high	29 Å²	29	45.4 Å²	45.4	13%	0.126	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	148.8	-174.1	-61.7	-166.7	-179	-177	0	112	M417 L436 M446 E455 Q457	M417-K444 HydrophobicContact CE-CB 4.02Å; M417-K444 HydrophobicContact CE-CD 3.87Å; M417-K444 HydrophobicContact CE-CG 3.69Å; M417-K444 HydrophobicContact CG-CD 4.14Å; M417-K444 HydrophobicContact SD-CD 3.42Å; M417-K444 WeakPolarHBondContact SD-CD 3.36Å; M417-K444 WeakPolarHBondContact SD-CE 3.4Å; M417-K444 HydrophobicContact SD-CG 3.93Å; L436-K444 PolarHBondContact N-O 3.42Å; L436-K444 PolarHBondContact O-N 2.58Å; K444-M446 HydrophobicContact CB-CE 4.45Å; K444-M446 HydrophobicContact CD-CE 3.96Å; K444-E455 HydrophobicContact CD-CG 4.13Å; K444-E455 WeakPolarHBondContact CD-OE2 3.31Å; K444-E455 WeakPolarHBondContact CE-OE2 3.42Å; K444-E455 IonicContact NZ-OE2 2.81Å; K444-E455 PolarHBondContact NZ-OE2 3.04Å; K444-Q457 CarbonylContact C-O 3.54Å; K444-Q457 WeakPolarHBondContact CA-O 3.34Å
445	V	98.2	Very high	96	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	129.2	162.4	-179.6	0	0	0	0	107.1	F426 I434 L456 Q457 M459 F467 F499	F426-V445 HydrophobicContact CE1-CG1 4.1Å; F426-V445 HydrophobicContact CZ-CG1 4.06Å; I434-V445 CarbonylContact O-C 3.58Å; I434-V445 WeakPolarHBondContact O-CA 3.31Å; V445-L456 HydrophobicContact CG1-CD2 3.98Å; V445-L456 WeakPolarHBondContact O-CB 3.18Å; V445-L456 PolarHBondContact O-N 2.87Å; V445-Q457 HydrophobicContact CB-CB 4.36Å; V445-Q457 PolarHBondContact N-O 2.97Å; V445-Q457 PolarHBondContact O-N 3.38Å; V445-M459 HydrophobicContact CB-CE 4.42Å; V445-M459 HydrophobicContact CG2-CE 3.55Å; V445-M459 HydrophobicContact CG2-SD 3.9Å; V445-F467 HydrophobicContact CG2-CE1 3.66Å; V445-F467 HydrophobicContact CG2-CZ 3.62Å; V445-F499 HydrophobicContact CG1-CD2 4.44Å; V445-F499 HydrophobicContact CG1-CE2 4.41Å; V445-F499 HydrophobicContact CG2-CD2 4Å; V445-F499 HydrophobicContact CG2-CE2 4.31Å
446	M	97.5	Very high	95.9	Very high	6 Å²	6	53.3 Å²	53.3	3%	0.03	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	147.9	178.7	-57.8	-170.7	163.7	0	0	110.8	I414 M417 Y433 I434 L436 K444 F453 R454	I414-M446 HydrophobicContact CG2-CE 4.36Å; I414-M446 HydrophobicContact CG2-SD 3.84Å; M417-M446 HydrophobicContact CG-CE 3.55Å; Y433-M446 CarbonylContact C-O 3.45Å; Y433-M446 WeakPolarHBondContact CA-O 3.47Å; Y433-M446 WeakPolarHBondContact CB-O 3.32Å; I434-M446 HydrophobicContact CD1-CB 4.32Å; I434-M446 HydrophobicContact CG1-CB 3.8Å; I434-M446 PolarHBondContact N-O 2.88Å; I434-M446 PolarHBondContact O-N 2.78Å; L436-M446 HydrophobicContact CD1-CE 3.63Å; L436-M446 HydrophobicContact CD1-CG 4.21Å; L436-M446 HydrophobicContact CD1-SD 3.58Å; L436-M446 VanDerWaalsContact CD1-SD 3.58Å; K444-M446 HydrophobicContact CB-CE 4.45Å; K444-M446 HydrophobicContact CD-CE 3.96Å; M446-F453 HydrophobicContact CB-CB 3.98Å; M446-F453 HydrophobicContact CB-CD1 4.36Å; M446-F453 HydrophobicContact SD-CB 3.96Å; M446-R454 CarbonylContact C-O 3.2Å; M446-R454 WeakPolarHBondContact CA-O 3.03Å; M446-R454 VanDerWaalsContact CB-O 3.32Å; M446-R454 WeakPolarHBondContact CB-O 3.33Å
447	R	96.8	Very high	95.8	Very high	106 Å²	106	55 Å²	55	40%	0.4	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	139.7	175	-176.7	-177.4	176.2	-169.5	1.2	109.9	D431 Y433 F453 R454	D431-R447 IonicContact OD1-CZ 2.9Å; D431-R447 IonicContact OD1-NE 2.85Å; D431-R447 PolarHBondContact OD1-NE 2.74Å; D431-R447 IonicContact OD1-NH2 3.38Å; D431-R447 PolarHBondContact OD1-NH2 3.11Å; D431-R447 IonicContact OD2-CZ 3.26Å; D431-R447 IonicContact OD2-NE 3.4Å; D431-R447 IonicContact OD2-NH2 2.82Å; D431-R447 PolarHBondContact OD2-NH2 3.13Å; D431-R447 VanDerWaalsContact OD2-NH2 3.12Å; Y433-R447 HydrophobicContact CD1-CB 3.69Å; Y433-R447 HydrophobicContact CD1-CG 3.94Å; Y433-R447 HydrophobicContact CE1-CB 3.64Å; Y433-R447 HydrophobicContact CE1-CG 3.56Å; R447-F453 WeakPolarHBondContact O-CA 3.43Å; R447-R454 PolarHBondContact N-O 2.98Å; R447-R454 PolarHBondContact O-N 3.4Å
448	W	96.1	Very high	95.7	Very high	48 Å²	48	57.3 Å²	57.3	18%	0.182	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	122.3	169.4	-176.6	-106.7	0	0	0	110.9	I381 L432 G450 A451 F453	I381-W448 HydrophobicContact CD1-CE3 4.41Å; I381-W448 HydrophobicContact CD1-CH2 4.4Å; I381-W448 HydrophobicContact CD1-CZ3 4.24Å; I381-W448 HydrophobicContact CG2-CD2 4.01Å; I381-W448 VanDerWaalsContact CG2-CE2 3.42Å; I381-W448 HydrophobicContact CG2-CG 4.45Å; I381-W448 HydrophobicContact CG2-CH2 4.28Å; I381-W448 HydrophobicContact CG2-CZ2 3.6Å; L432-W448 HydrophobicContact CB-CB 4.04Å; L432-W448 HydrophobicContact CD2-CB 4.21Å; L432-W448 HydrophobicContact CD2-CG 4.42Å; L432-W448 HydrophobicContact CG-CB 4.34Å; L432-W448 PolarHBondContact O-N 3.38Å; W448-G450 WeakPolarHBondContact CZ2-O 3.19Å; W448-G450 VanDerWaalsContact NE1-CA 3.29Å; W448-A451 WeakPolarHBondContact CH2-O 3.39Å; W448-F453 HydrophobicContact CB-CD1 4.16Å; W448-F453 HydrophobicContact CB-CE1 3.83Å; W448-F453 HydrophobicContact CB-CZ 4.47Å; W448-F453 HydrophobicContact CD2-CZ 4.49Å; W448-F453 HydrophobicContact CE3-CD1 4.08Å; W448-F453 AromaticContact CE3-CD2 3.72Å; W448-F453 HydrophobicContact CE3-CD2 3.72Å; W448-F453 AromaticContact CE3-CE1 3.97Å; W448-F453 HydrophobicContact CE3-CE1 3.97Å; W448-F453 AromaticContact CE3-CE2 3.61Å; W448-F453 HydrophobicContact CE3-CE2 3.61Å; W448-F453 AromaticContact CE3-CG 3.96Å; W448-F453 HydrophobicContact CE3-CG 3.96Å; W448-F453 AromaticContact CE3-CZ 3.74Å; W448-F453 HydrophobicContact CE3-CZ 3.74Å; W448-F453 AromaticContact CZ3-CD2 3.94Å; W448-F453 HydrophobicContact CZ3-CD2 3.94Å; W448-F453 AromaticContact CZ3-CE2 3.89Å; W448-F453 HydrophobicContact CZ3-CE2 3.89Å; W448-F453 HydrophobicContact CZ3-CZ 4.43Å
449	D	93.9	Very high	95.7	Very high	80 Å²	80	54.4 Å²	54.4	43%	0.428	29%	0.29	S	S	.	.			trans	-94.4	-0.3	-179.1	73.3	5	0	0	0	114.3	A451 L452 R454	D449-A451 PolarHBondContact OD1-N 3.44Å; D449-L452 VanDerWaalsContact CG-O 3.3Å; D449-L452 PolarHBondContact N-O 2.9Å; D449-L452 PolarHBondContact OD1-N 3.39Å; D449-R454 HydrophobicContact CB-CG 4Å; D449-R454 VanDerWaalsContact OD2-CG 3.22Å; D449-R454 WeakPolarHBondContact OD2-CG 3.19Å; D449-R454 IonicContact OD2-CZ 2.76Å; D449-R454 IonicContact OD2-NE 3.95Å; D449-R454 PolarHBondContact OD2-NE 3.18Å; D449-R454 IonicContact OD2-NH2 3.58Å
450	G	91.7	Very high	95.7	Very high	55 Å²	55	53.9 Å²	53.9	57%	0.567	29%	0.294	S	S	*	.	S	Bend	trans	108.7	-24	-173	0	0	0	0	0	113.5	W448	W448-G450 WeakPolarHBondContact CZ2-O 3.19Å; W448-G450 VanDerWaalsContact NE1-CA 3.29Å
451	A	91.3	Very high	95.9	Very high	73 Å²	73	49 Å²	49	60%	0.603	27%	0.27	S	S	*	.	S	Bend	trans	-126.6	-38.5	179.9	0	0	0	0	0	113.1	W448 D449	W448-A451 WeakPolarHBondContact CH2-O 3.39Å; D449-A451 PolarHBondContact OD1-N 3.44Å
452	L	93.8	Very high	95.9	Very high	51 Å²	51	54.9 Å²	54.9	27%	0.267	28%	0.281	S	S	.	.	S	Bend	trans	-147.9	168.5	178.4	62.8	122.6	0	0	0	112.8	D449 R454	D449-L452 VanDerWaalsContact CG-O 3.3Å; D449-L452 PolarHBondContact N-O 2.9Å; D449-L452 PolarHBondContact OD1-N 3.39Å; L452-R454 HydrophobicContact CD1-CG 4.34Å
453	F	96.1	Very high	96	Very high	8 Å²	8	51.3 Å²	51.3	4%	0.035	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	123.3	172.9	-74.1	-74.9	0	0	0	110.5	L379 I381 I388 I398 I414 L432 I434 M446 R447 W448	L379-F453 HydrophobicContact CD1-CZ 4.16Å; I381-F453 HydrophobicContact CD1-CE2 4.27Å; I381-F453 HydrophobicContact CD1-CZ 4.31Å; I388-F453 HydrophobicContact CD1-CE2 4.16Å; I398-F453 HydrophobicContact CD1-CD2 3.97Å; I398-F453 HydrophobicContact CD1-CE2 3.95Å; I414-F453 HydrophobicContact CD1-CD2 4.03Å; I414-F453 HydrophobicContact CG1-CD2 4.42Å; L432-F453 HydrophobicContact CD2-CE1 4.35Å; L432-F453 HydrophobicContact CD2-CZ 4.15Å; L432-F453 HydrophobicContact CG-CE1 4.39Å; I434-F453 HydrophobicContact CB-CE1 4.36Å; I434-F453 HydrophobicContact CD1-CB 4.08Å; I434-F453 HydrophobicContact CD1-CD1 3.6Å; I434-F453 HydrophobicContact CD1-CD2 3.75Å; I434-F453 HydrophobicContact CD1-CE1 3.88Å; I434-F453 HydrophobicContact CD1-CE2 4.02Å; I434-F453 HydrophobicContact CD1-CG 3.52Å; I434-F453 HydrophobicContact CD1-CZ 4.09Å; I434-F453 HydrophobicContact CG1-CD1 3.69Å; I434-F453 HydrophobicContact CG1-CE1 3.89Å; I434-F453 HydrophobicContact CG1-CG 4.14Å; I434-F453 HydrophobicContact CG1-CZ 4.48Å; I434-F453 HydrophobicContact CG2-CD1 4.38Å; I434-F453 HydrophobicContact CG2-CE1 3.68Å; I434-F453 HydrophobicContact CG2-CZ 3.79Å; M446-F453 HydrophobicContact CB-CB 3.98Å; M446-F453 HydrophobicContact CB-CD1 4.36Å; M446-F453 HydrophobicContact SD-CB 3.96Å; R447-F453 WeakPolarHBondContact O-CA 3.43Å; W448-F453 HydrophobicContact CB-CD1 4.16Å; W448-F453 HydrophobicContact CB-CE1 3.83Å; W448-F453 HydrophobicContact CB-CZ 4.47Å; W448-F453 HydrophobicContact CD2-CZ 4.49Å; W448-F453 HydrophobicContact CE3-CD1 4.08Å; W448-F453 AromaticContact CE3-CD2 3.72Å; W448-F453 HydrophobicContact CE3-CD2 3.72Å; W448-F453 AromaticContact CE3-CE1 3.97Å; W448-F453 HydrophobicContact CE3-CE1 3.97Å; W448-F453 AromaticContact CE3-CE2 3.61Å; W448-F453 HydrophobicContact CE3-CE2 3.61Å; W448-F453 AromaticContact CE3-CG 3.96Å; W448-F453 HydrophobicContact CE3-CG 3.96Å; W448-F453 AromaticContact CE3-CZ 3.74Å; W448-F453 HydrophobicContact CE3-CZ 3.74Å; W448-F453 AromaticContact CZ3-CD2 3.94Å; W448-F453 HydrophobicContact CZ3-CD2 3.94Å; W448-F453 AromaticContact CZ3-CE2 3.89Å; W448-F453 HydrophobicContact CZ3-CE2 3.89Å; W448-F453 HydrophobicContact CZ3-CZ 4.43Å
454	R	95.1	Very high	96	Very high	142 Å²	142	51.3 Å²	51.3	54%	0.536	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	137.8	177.8	-64.6	-66.9	-172.4	173.3	0.5	110.3	M446 R447 D449 L452 L456	M446-R454 CarbonylContact C-O 3.2Å; M446-R454 WeakPolarHBondContact CA-O 3.03Å; M446-R454 VanDerWaalsContact CB-O 3.32Å; M446-R454 WeakPolarHBondContact CB-O 3.33Å; R447-R454 PolarHBondContact N-O 2.98Å; R447-R454 PolarHBondContact O-N 3.4Å; D449-R454 HydrophobicContact CB-CG 4Å; D449-R454 VanDerWaalsContact OD2-CG 3.22Å; D449-R454 WeakPolarHBondContact OD2-CG 3.19Å; D449-R454 IonicContact OD2-CZ 2.76Å; D449-R454 IonicContact OD2-NE 3.95Å; D449-R454 PolarHBondContact OD2-NE 3.18Å; D449-R454 IonicContact OD2-NH2 3.58Å; L452-R454 HydrophobicContact CD1-CG 4.34Å; R454-L456 PolarHBondContact O-N 2.6Å
455	E	95.9	Very high	96	Very high	101 Å²	101	51.9 Å²	51.9	47%	0.472	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	129.9	174.1	-175.8	176.5	148.3	0	0	110.9	K444 T458	K444-E455 HydrophobicContact CD-CG 4.13Å; K444-E455 WeakPolarHBondContact CD-OE2 3.31Å; K444-E455 WeakPolarHBondContact CE-OE2 3.42Å; K444-E455 IonicContact NZ-OE2 2.81Å; K444-E455 PolarHBondContact NZ-OE2 3.04Å; E455-T458 PolarHBondContact OE1-OG1 3.15Å
456	L	96.3	Very high	96	Very high	66 Å²	66	52.3 Å²	52.3	35%	0.346	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	-47.1	174	178.2	72.7	0	0	0	110.4	Y433 V445 R454 W492 G497	Y433-L456 HydrophobicContact CD1-CD2 4.01Å; Y433-L456 HydrophobicContact CE1-CD2 3.83Å; V445-L456 HydrophobicContact CG1-CD2 3.98Å; V445-L456 WeakPolarHBondContact O-CB 3.18Å; V445-L456 PolarHBondContact O-N 2.87Å; R454-L456 PolarHBondContact O-N 2.6Å; L456-W492 HydrophobicContact CD2-CH2 3.76Å; L456-W492 HydrophobicContact CD2-CZ3 4.08Å; L456-G497 WeakPolarHBondContact CD2-O 3.49Å
457	Q	96.7	Very high	96	Very high	34 Å²	34	52.1 Å²	52.1	16%	0.159	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	151.7	-173.6	-163.4	174.2	37.8	0	0	110.8	K444 V445 M459 E498 F499	K444-Q457 CarbonylContact C-O 3.54Å; K444-Q457 WeakPolarHBondContact CA-O 3.34Å; V445-Q457 HydrophobicContact CB-CB 4.36Å; V445-Q457 PolarHBondContact N-O 2.97Å; V445-Q457 PolarHBondContact O-N 3.38Å; Q457-M459 HydrophobicContact CB-CE 3.9Å; Q457-M459 VanDerWaalsContact CD-CE 3.4Å; Q457-M459 HydrophobicContact CG-CE 3.61Å; Q457-M459 HydrophobicContact CG-SD 4.35Å; Q457-E498 PolarHBondContact NE2-OE2 2.86Å; Q457-E498 VanDerWaalsContact NE2-OE2 3.08Å; Q457-F499 PolarHBondContact NE2-O 2.8Å; Q457-F499 PolarHBondContact OE1-O 3.24Å
458	T	96.9	Very high	96.1	Very high	51 Å²	51	49 Å²	49	31%	0.313	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	138	178.9	-76.3	0	0	0	0	110.6	D442 S443 E455	D442-T458 HydrophobicContact CB-CG2 3.49Å; D442-T458 VanDerWaalsContact CB-CG2 3.49Å; S443-T458 WeakPolarHBondContact O-CA 3.24Å; E455-T458 PolarHBondContact OE1-OG1 3.15Å
459	M	97.1	Very high	96.2	Very high	4 Å²	4	47 Å²	47	2%	0.02	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	128.1	-179.9	-60.2	80.6	178.1	0	0	111	S443 V445 Q457 S461 F467 L480 Y490 F499	S443-M459 PolarHBondContact N-O 3.18Å; S443-M459 PolarHBondContact O-N 2.84Å; V445-M459 HydrophobicContact CB-CE 4.42Å; V445-M459 HydrophobicContact CG2-CE 3.55Å; V445-M459 HydrophobicContact CG2-SD 3.9Å; Q457-M459 HydrophobicContact CB-CE 3.9Å; Q457-M459 VanDerWaalsContact CD-CE 3.4Å; Q457-M459 HydrophobicContact CG-CE 3.61Å; Q457-M459 HydrophobicContact CG-SD 4.35Å; M459-S461 PolarHBondContact O-N 3.45Å; M459-F467 HydrophobicContact CE-CZ 4.03Å; M459-F467 HydrophobicContact CG-CZ 4.4Å; M459-F467 HydrophobicContact SD-CE1 3.89Å; M459-F467 HydrophobicContact SD-CZ 3.81Å; M459-L480 HydrophobicContact CB-CD2 3.82Å; M459-Y490 HydrophobicContact CG-CE1 4.29Å; M459-Y490 HydrophobicContact CG-CE2 4.36Å; M459-F499 HydrophobicContact CE-CB 4.16Å
460	P	96.8	Very high	96.4	Very high	65 Å²	65	43.8 Å²	43.8	42%	0.422	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	126.2	-179.5	27.7	-34.1	0	0	0	110.7
461	S	97.1	Very high	96.6	Very high	3 Å²	3	44.9 Å²	44.9	2%	0.021	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	126.8	-180	-59.1	0	0	0	0	111.3	R438 G441 S443 M459	R438-S461 WeakPolarHBondContact O-CB 3.48Å; R438-S461 PolarHBondContact O-OG 2.8Å; G441-S461 PolarHBondContact O-N 2.84Å; S443-S461 WeakPolarHBondContact CB-OG 3.4Å; S443-S461 PolarHBondContact N-OG 3.48Å; S443-S461 VanDerWaalsContact N-OG 3.16Å; S443-S461 PolarHBondContact OG-OG 2.86Å; M459-S461 PolarHBondContact O-N 3.45Å
462	R	95.8	Very high	96.6	Very high	156 Å²	156	41.6 Å²	41.6	59%	0.589	20%	0.201	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-122.1	73.6	-176.7	-60.1	-63.9	-174.3	177.7	-1.4	109.6	S482 D483 Y484	R462-S482 PolarHBondContact O-OG 2.84Å; R462-D483 PolarHBondContact O-N 2.83Å; R462-Y484 HydrophobicContact CB-CD2 4.42Å; R462-Y484 WeakPolarHBondContact O-CD2 3.46Å; R462-Y484 PolarHBondContact O-N 2.82Å
463	G	97	Very high	96.3	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.22	C	C	.	.	S	Bend	trans	70.5	46.4	-172.3	0	0	0	0	0	111.4	F439 D483	F439-G463 VanDerWaalsContact CE2-CA 3.45Å; F439-G463 CarbonylContact O-C 3.55Å; F439-G463 WeakPolarHBondContact O-CA 3.28Å; F439-G463 PolarHBondContact O-N 3.28Å; G463-D483 WeakPolarHBondContact O-CB 3.4Å; G463-D483 PolarHBondContact O-N 3.12Å
464	S	97.9	Very high	95.9	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.255	C	S	.	.			trans	-85.7	128.6	-176.3	-166.8	0	0	0	0	112	R438 F439 V466 L480 G481	R438-S464 WeakPolarHBondContact O-CB 3.47Å; F439-S464 VanDerWaalsContact CA-O 3.24Å; F439-S464 WeakPolarHBondContact CA-O 3.38Å; F439-S464 PolarHBondContact O-N 3.14Å; S464-V466 PolarHBondContact OG-O 3.02Å; S464-L480 VanDerWaalsContact OG-CD1 3.22Å; S464-L480 WeakPolarHBondContact OG-CD1 3.43Å; S464-G481 WeakPolarHBondContact CA-O 3.29Å; S464-G481 WeakPolarHBondContact CB-O 3.45Å; S464-G481 PolarHBondContact OG-O 2.9Å
465	M	97.4	Very high	95.8	Very high	40 Å²	40	43 Å²	43	20%	0.197	24%	0.24	C	C	.	.			trans	-113.9	-2.3	175.9	-63.4	-71.7	-85.3	0	0	112.2	Y421 F439	Y421-M465 WeakPolarHBondContact CD1-O 3.47Å; Y421-M465 HydrophobicContact CD2-SD 4.43Å; Y421-M465 HydrophobicContact CE1-CB 4.42Å; Y421-M465 HydrophobicContact CE1-CE 4.41Å; Y421-M465 VanDerWaalsContact CE1-O 3.23Å; Y421-M465 WeakPolarHBondContact CE1-O 3.25Å; Y421-M465 HydrophobicContact CE1-SD 4.44Å; Y421-M465 HydrophobicContact CE2-CE 3.85Å; Y421-M465 HydrophobicContact CE2-SD 4.18Å; F439-M465 HydrophobicContact CD2-CG 4.2Å; F439-M465 HydrophobicContact CD2-SD 3.64Å; F439-M465 HydrophobicContact CE2-CG 4.35Å; F439-M465 HydrophobicContact CE2-SD 4.08Å
466	V	98.3	Very high	95.8	Very high	10 Å²	10	39 Å²	39	6%	0.061	22%	0.221	C	C	.	.			trans	-153.1	131	-177.4	57.4	0	0	0	0	110.7	S464 Q468 G481 P510 F513	S464-V466 PolarHBondContact OG-O 3.02Å; V466-Q468 HydrophobicContact CG2-CB 3.92Å; V466-G481 PolarHBondContact O-N 2.98Å; V466-P510 HydrophobicContact CG1-CB 4.39Å; V466-F513 HydrophobicContact CG1-CD2 3.94Å; V466-F513 HydrophobicContact CG1-CE2 3.57Å; V466-F513 HydrophobicContact CG2-CD2 3.89Å; V466-F513 HydrophobicContact CG2-CE2 4.38Å
467	F	98.6	Very high	95.9	Very high	1 Å²	1	35.9 Å²	35.9	0%	0.004	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	85.9	166.5	-168.3	-171.5	0	0	0	108.9	C435 T437 V445 M459 P469 A478 I479 L480	C435-F467 HydrophobicContact CB-CB 4.29Å; C435-F467 HydrophobicContact CB-CD1 3.62Å; C435-F467 HydrophobicContact CB-CD2 4.37Å; C435-F467 HydrophobicContact CB-CE1 3.97Å; C435-F467 HydrophobicContact CB-CG 3.83Å; C435-F467 HydrophobicContact CB-CZ 4.49Å; T437-F467 HydrophobicContact CG2-CB 4.29Å; T437-F467 WeakPolarHBondContact OG1-CB 3.06Å; T437-F467 PolarHBondContact OG1-N 2.82Å; T437-F467 VanDerWaalsContact OG1-N 3.13Å; V445-F467 HydrophobicContact CG2-CE1 3.66Å; V445-F467 HydrophobicContact CG2-CZ 3.62Å; M459-F467 HydrophobicContact CE-CZ 4.03Å; M459-F467 HydrophobicContact CG-CZ 4.4Å; M459-F467 HydrophobicContact SD-CE1 3.89Å; M459-F467 HydrophobicContact SD-CZ 3.81Å; F467-P469 VanDerWaalsContact O-CD 3.32Å; F467-P469 WeakPolarHBondContact O-CD 3.35Å; F467-A478 HydrophobicContact CD2-CB 4.26Å; F467-A478 HydrophobicContact CE2-CB 3.61Å; F467-A478 HydrophobicContact CZ-CB 4.42Å; F467-I479 CarbonylContact C-O 3.34Å; F467-I479 VanDerWaalsContact CA-O 3.3Å; F467-I479 WeakPolarHBondContact CA-O 3.49Å; F467-L480 HydrophobicContact CB-CD1 3.75Å; F467-L480 HydrophobicContact CD1-CD1 4.14Å; F467-L480 HydrophobicContact CD2-CB 4.05Å; F467-L480 HydrophobicContact CD2-CD1 4.05Å; F467-L480 HydrophobicContact CE2-CB 4.3Å; F467-L480 HydrophobicContact CG-CD1 3.73Å
468	Q	98.6	Very high	96	Very high	42 Å²	42	34.3 Å²	34.3	20%	0.196	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	112.5	-169.4	-177.2	63.9	52.3	0	0	110.9	V466 A478 I479 F513	V466-Q468 HydrophobicContact CG2-CB 3.92Å; Q468-A478 CarbonylContact O-C 3.57Å; Q468-A478 VanDerWaalsContact O-CA 3.3Å; Q468-A478 WeakPolarHBondContact O-CA 3.36Å; Q468-I479 PolarHBondContact N-O 2.79Å; Q468-I479 PolarHBondContact O-N 2.84Å; Q468-F513 HydrophobicContact CB-CB 4.15Å; Q468-F513 HydrophobicContact CB-CD2 4.39Å; Q468-F513 HydrophobicContact CG-CB 4.12Å
469	P	98.4	Very high	96.1	Very high	6 Å²	6	31.9 Å²	31.9	4%	0.039	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	146.1	164.7	35	-34.4	0	0	0	110.6	K424 F426 F467 Y477 A478	K424-P469 VanDerWaalsContact CB-CD 3.48Å; K424-P469 HydrophobicContact CB-CG 4.03Å; F426-P469 HydrophobicContact CB-CB 3.69Å; F426-P469 HydrophobicContact CB-CG 3.91Å; F426-P469 HydrophobicContact CD1-CB 3.58Å; F426-P469 HydrophobicContact CD1-CG 3.86Å; F426-P469 HydrophobicContact CE1-CB 4.4Å; F426-P469 HydrophobicContact CG-CB 3.75Å; F426-P469 HydrophobicContact CG-CG 4.24Å; F467-P469 VanDerWaalsContact O-CD 3.32Å; F467-P469 WeakPolarHBondContact O-CD 3.35Å; P469-Y477 WeakPolarHBondContact CA-O 3.3Å; P469-A478 HydrophobicContact CB-CB 4.42Å
470	F	97.4	Very high	96.2	Very high	12 Å²	12	32 Å²	32	5%	0.053	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	160.7	175.6	61.6	-76.9	0	0	0	111	F220 V472 Q476 Y477 I479 P515 L524	F220-F470 AromaticContact CE1-CE2 3.98Å; F220-F470 HydrophobicContact CE1-CE2 3.98Å; F220-F470 HydrophobicContact CE1-CZ 4.28Å; F220-F470 HydrophobicContact CE2-CZ 4.34Å; F220-F470 AromaticContact CZ-CE2 3.6Å; F220-F470 HydrophobicContact CZ-CE2 3.6Å; F220-F470 AromaticContact CZ-CZ 3.72Å; F220-F470 HydrophobicContact CZ-CZ 3.72Å; F470-V472 HydrophobicContact CD2-CG2 3.67Å; F470-V472 HydrophobicContact CE2-CG2 3.68Å; F470-Q476 PolarHBondContact O-NE2 3.45Å; F470-Y477 HydrophobicContact CD2-CD2 4.49Å; F470-Y477 AromaticContact CE2-CD2 3.92Å; F470-Y477 HydrophobicContact CE2-CD2 3.92Å; F470-Y477 HydrophobicContact CE2-CG 4.24Å; F470-Y477 HydrophobicContact CZ-CD2 4.26Å; F470-Y477 HydrophobicContact CZ-CG 4.11Å; F470-Y477 PolarHBondContact N-O 3.15Å; F470-Y477 PolarHBondContact O-N 3.42Å; F470-Y477 VanDerWaalsContact O-O 3.14Å; F470-I479 HydrophobicContact CE1-CB 4.23Å; F470-I479 HydrophobicContact CE1-CD1 3.37Å; F470-I479 HydrophobicContact CE1-CG1 3.56Å; F470-I479 HydrophobicContact CZ-CD1 3.46Å; F470-I479 VanDerWaalsContact CZ-CD1 3.46Å; F470-I479 HydrophobicContact CZ-CG1 4Å; F470-P515 HydrophobicContact CB-CG 4.03Å; F470-P515 HydrophobicContact CD2-CB 4.24Å; F470-L524 HydrophobicContact CD2-CD1 4.46Å; F470-L524 HydrophobicContact CE1-CD1 4.43Å; F470-L524 HydrophobicContact CE2-CD1 4.06Å; F470-L524 HydrophobicContact CZ-CD1 4.06Å; F470-L524 HydrophobicContact CZ-CD2 4.36Å
471	T	95.4	Very high	96.2	Very high	77 Å²	77	28.9 Å²	28.9	47%	0.472	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	137.7	176.9	-62.4	0	0	0	0	109.8	G473 W475 Q476	T471-G473 WeakPolarHBondContact CG2-O 3.47Å; T471-W475 WeakPolarHBondContact CA-O 3.36Å; T471-Q476 PolarHBondContact OG1-OE1 2.85Å
472	V	92.2	Very high	96.3	Very high	4 Å²	4	29.1 Å²	29.1	2%	0.024	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	113.3	169.2	-172.9	0	0	0	0	108.5	F220 F470 S474 W475 Y477 Q522 H538	F220-V472 HydrophobicContact CE1-CG2 4.49Å; F470-V472 HydrophobicContact CD2-CG2 3.67Å; F470-V472 HydrophobicContact CE2-CG2 3.68Å; V472-S474 PolarHBondContact O-N 2.83Å; V472-W475 PolarHBondContact N-O 2.92Å; V472-W475 WeakPolarHBondContact O-CB 3.37Å; V472-W475 PolarHBondContact O-N 2.92Å; V472-Y477 HydrophobicContact CB-CE2 4.2Å; V472-Y477 HydrophobicContact CG2-CD2 4.38Å; V472-Y477 HydrophobicContact CG2-CE2 4.44Å; V472-Q522 HydrophobicContact CG1-CB 3.51Å; V472-Q522 HydrophobicContact CG1-CG 3.6Å; V472-H538 HydrophobicContact CG1-CB 4.09Å; V472-H538 WeakPolarHBondContact CG1-ND1 3.3Å
473	G	86.4	Confident	96.3	Very high	64 Å²	64	23.9 Å²	23.9	66%	0.66	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.4	-123.1	-171.5	0	0	0	0	0	111.4	T471	T471-G473 WeakPolarHBondContact CG2-O 3.47Å
474	S	87.9	Confident	96.3	Very high	111 Å²	111	31.2 Å²	31.2	78%	0.776	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-0.1	176.5	55.1	0	0	0	0	114.2	V472	V472-S474 PolarHBondContact O-N 2.83Å
475	W	93.1	Very high	96.1	Very high	55 Å²	55	34.3 Å²	34.3	21%	0.208	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	124.4	-171.9	-56.4	96.8	0	0	0	111.2	T218 T471 V472 Y477 R491	T218-W475 HydrophobicContact CG2-CD2 4.43Å; T218-W475 HydrophobicContact CG2-CG 4.47Å; T218-W475 HydrophobicContact CG2-CZ2 4.32Å; T471-W475 WeakPolarHBondContact CA-O 3.36Å; V472-W475 PolarHBondContact N-O 2.92Å; V472-W475 WeakPolarHBondContact O-CB 3.37Å; V472-W475 PolarHBondContact O-N 2.92Å; W475-Y477 HydrophobicContact CB-CD2 4.17Å; W475-Y477 HydrophobicContact CB-CE1 4.49Å; W475-Y477 HydrophobicContact CB-CE2 3.31Å; W475-Y477 VanDerWaalsContact CB-CZ 3.49Å; W475-Y477 WeakPolarHBondContact CB-OH 3.31Å; W475-Y477 HydrophobicContact CG-CE2 4.28Å; W475-R491 HydrophobicContact CE3-CG 4.33Å; W475-R491 VanDerWaalsContact CZ3-NH1 3.34Å
476	Q	97.1	Very high	96.1	Very high	19 Å²	19	37.8 Å²	37.8	9%	0.089	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	125	170.5	175.8	68.5	48.4	0	0	109.4	F426 V428 F470 T471 W492 F499	F426-Q476 HydrophobicContact CD2-CG 4.15Å; F426-Q476 HydrophobicContact CE2-CG 4.36Å; V428-Q476 HydrophobicContact CG2-CG 4.02Å; F470-Q476 PolarHBondContact O-NE2 3.45Å; T471-Q476 PolarHBondContact OG1-OE1 2.85Å; Q476-W492 HydrophobicContact CB-CB 3.73Å; Q476-W492 HydrophobicContact CB-CG 4.4Å; Q476-W492 HydrophobicContact CG-CB 3.86Å; Q476-W492 HydrophobicContact CG-CG 4.37Å; Q476-W492 WeakPolarHBondContact O-CB 3.19Å; Q476-W492 PolarHBondContact O-N 3.13Å; Q476-F499 HydrophobicContact CG-CE1 4.14Å; Q476-F499 HydrophobicContact CG-CZ 4.16Å
477	Y	98.4	Very high	96.1	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	166.1	175.7	-59.5	-81.9	0	0	0	111.1	T218 F220 P469 F470 V472 W475 V489 Y490 R491 F502 H538	T218-Y477 WeakPolarHBondContact CB-OH 3.19Å; T218-Y477 PolarHBondContact OG1-OH 2.64Å; F220-Y477 HydrophobicContact CE2-CD1 4.14Å; F220-Y477 HydrophobicContact CE2-CD2 4.38Å; F220-Y477 HydrophobicContact CE2-CE1 4.12Å; F220-Y477 HydrophobicContact CE2-CE2 4.35Å; F220-Y477 HydrophobicContact CE2-CG 4.28Å; F220-Y477 AromaticContact CZ-CD2 3.98Å; F220-Y477 HydrophobicContact CZ-CD2 3.98Å; F220-Y477 AromaticContact CZ-CE2 3.99Å; F220-Y477 HydrophobicContact CZ-CE2 3.99Å; F220-Y477 HydrophobicContact CZ-CG 4.25Å; P469-Y477 WeakPolarHBondContact CA-O 3.3Å; F470-Y477 HydrophobicContact CD2-CD2 4.49Å; F470-Y477 AromaticContact CE2-CD2 3.92Å; F470-Y477 HydrophobicContact CE2-CD2 3.92Å; F470-Y477 HydrophobicContact CE2-CG 4.24Å; F470-Y477 HydrophobicContact CZ-CD2 4.26Å; F470-Y477 HydrophobicContact CZ-CG 4.11Å; F470-Y477 PolarHBondContact N-O 3.15Å; F470-Y477 PolarHBondContact O-N 3.42Å; F470-Y477 VanDerWaalsContact O-O 3.14Å; V472-Y477 HydrophobicContact CB-CE2 4.2Å; V472-Y477 HydrophobicContact CG2-CD2 4.38Å; V472-Y477 HydrophobicContact CG2-CE2 4.44Å; W475-Y477 HydrophobicContact CB-CD2 4.17Å; W475-Y477 HydrophobicContact CB-CE1 4.49Å; W475-Y477 HydrophobicContact CB-CE2 3.31Å; W475-Y477 VanDerWaalsContact CB-CZ 3.49Å; W475-Y477 WeakPolarHBondContact CB-OH 3.31Å; W475-Y477 HydrophobicContact CG-CE2 4.28Å; Y477-V489 HydrophobicContact CD1-CG1 4.21Å; Y477-Y490 CarbonylContact C-O 3.48Å; Y477-Y490 WeakPolarHBondContact CA-O 3.47Å; Y477-Y490 WeakPolarHBondContact CB-O 2.95Å; Y477-Y490 WeakPolarHBondContact CD1-O 3.39Å; Y477-R491 HydrophobicContact CD1-CB 3.95Å; Y477-R491 HydrophobicContact CD1-CG 4.09Å; Y477-R491 HydrophobicContact CE1-CB 3.99Å; Y477-R491 HydrophobicContact CE1-CG 3.81Å; Y477-F502 HydrophobicContact CD1-CD1 4.17Å; Y477-F502 HydrophobicContact CD1-CE1 4.41Å; Y477-F502 AromaticContact CE1-CD1 3.88Å; Y477-F502 HydrophobicContact CE1-CD1 3.88Å; Y477-F502 AromaticContact CE1-CE1 3.77Å; Y477-F502 HydrophobicContact CE1-CE1 3.77Å; Y477-F502 HydrophobicContact CE1-CE2 4.48Å; Y477-F502 HydrophobicContact CE1-CG 4.3Å; Y477-F502 HydrophobicContact CE1-CZ 4.08Å; Y477-H538 AromaticContact CE2-NE2 3.72Å; Y477-H538 AromaticContact CZ-NE2 3.67Å; Y477-H538 PolarHBondContact OH-NE2 3.02Å
478	A	98.5	Very high	96.1	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	139.2	160.8	0	0	0	0	0	109.7	F467 Q468 P469 Y490 F499	F467-A478 HydrophobicContact CD2-CB 4.26Å; F467-A478 HydrophobicContact CE2-CB 3.61Å; F467-A478 HydrophobicContact CZ-CB 4.42Å; Q468-A478 CarbonylContact O-C 3.57Å; Q468-A478 VanDerWaalsContact O-CA 3.3Å; Q468-A478 WeakPolarHBondContact O-CA 3.36Å; P469-A478 HydrophobicContact CB-CB 4.42Å; A478-Y490 PolarHBondContact N-O 2.88Å; A478-Y490 PolarHBondContact O-N 2.91Å; A478-F499 HydrophobicContact CB-CD1 4.14Å; A478-F499 HydrophobicContact CB-CD2 4.31Å; A478-F499 HydrophobicContact CB-CE1 3.7Å; A478-F499 HydrophobicContact CB-CE2 3.83Å; A478-F499 HydrophobicContact CB-CG 4.44Å; A478-F499 HydrophobicContact CB-CZ 3.53Å
479	I	98.6	Very high	96.1	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	121.9	179.2	-72.9	169.2	0	0	0	109.8	F467 Q468 F470 T487 Q488 V489 L505 F513 L524	F467-I479 CarbonylContact C-O 3.34Å; F467-I479 VanDerWaalsContact CA-O 3.3Å; F467-I479 WeakPolarHBondContact CA-O 3.49Å; Q468-I479 PolarHBondContact N-O 2.79Å; Q468-I479 PolarHBondContact O-N 2.84Å; F470-I479 HydrophobicContact CE1-CB 4.23Å; F470-I479 HydrophobicContact CE1-CD1 3.37Å; F470-I479 HydrophobicContact CE1-CG1 3.56Å; F470-I479 HydrophobicContact CZ-CD1 3.46Å; F470-I479 VanDerWaalsContact CZ-CD1 3.46Å; F470-I479 HydrophobicContact CZ-CG1 4Å; I479-T487 HydrophobicContact CG2-CG2 3.35Å; I479-Q488 WeakPolarHBondContact CA-O 3.42Å; I479-V489 HydrophobicContact CD1-CG1 4.29Å; I479-V489 HydrophobicContact CD1-CG2 4.22Å; I479-V489 HydrophobicContact CG1-CB 4.1Å; I479-V489 HydrophobicContact CG1-CG1 3.77Å; I479-V489 HydrophobicContact CG1-CG2 3.94Å; I479-L505 HydrophobicContact CD1-CD1 4.4Å; I479-F513 HydrophobicContact CB-CD2 4.29Å; I479-F513 HydrophobicContact CB-CE2 4.38Å; I479-F513 HydrophobicContact CD1-CD1 4.23Å; I479-F513 HydrophobicContact CD1-CE1 4.49Å; I479-F513 HydrophobicContact CG2-CD1 4.29Å; I479-F513 HydrophobicContact CG2-CD2 3.78Å; I479-F513 HydrophobicContact CG2-CE1 3.94Å; I479-F513 HydrophobicContact CG2-CE2 3.39Å; I479-F513 HydrophobicContact CG2-CG 4.22Å; I479-F513 HydrophobicContact CG2-CZ 3.5Å; I479-L524 HydrophobicContact CD1-CD1 4.29Å; I479-L524 HydrophobicContact CD1-CD2 3.31Å; I479-L524 HydrophobicContact CD1-CG 4.4Å
480	L	98.7	Very high	96.1	Very high	7 Å²	7	36.8 Å²	36.8	4%	0.037	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	106.6	172.9	-174.4	66.7	0	0	0	109	M459 S464 F467 Q488 Y490	M459-L480 HydrophobicContact CB-CD2 3.82Å; S464-L480 VanDerWaalsContact OG-CD1 3.22Å; S464-L480 WeakPolarHBondContact OG-CD1 3.43Å; F467-L480 HydrophobicContact CB-CD1 3.75Å; F467-L480 HydrophobicContact CD1-CD1 4.14Å; F467-L480 HydrophobicContact CD2-CB 4.05Å; F467-L480 HydrophobicContact CD2-CD1 4.05Å; F467-L480 HydrophobicContact CE2-CB 4.3Å; F467-L480 HydrophobicContact CG-CD1 3.73Å; L480-Q488 PolarHBondContact N-O 2.03Å; L480-Q488 PolarHBondContact O-N 2.9Å; L480-Y490 HydrophobicContact CB-CE2 3.92Å; L480-Y490 HydrophobicContact CD2-CE2 4.49Å
481	G	98.3	Very high	96	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.214	C	C	.	.			trans	-68.6	152.6	175.3	0	0	0	0	0	111.7	S464 V466	S464-G481 WeakPolarHBondContact CA-O 3.29Å; S464-G481 WeakPolarHBondContact CB-O 3.45Å; S464-G481 PolarHBondContact OG-O 2.9Å; V466-G481 PolarHBondContact O-N 2.98Å
482	S	97.7	Very high	96.1	Very high	8 Å²	8	36.5 Å²	36.5	6%	0.056	20%	0.197	C	C	.	.			trans	-148.7	129.6	-179.5	148.3	0	0	0	0	110.9	R462 Y484 S485	R462-S482 PolarHBondContact O-OG 2.84Å; S482-Y484 PolarHBondContact OG-N 2.89Å; S482-S485 WeakPolarHBondContact CB-O 3.15Å; S482-S485 WeakPolarHBondContact OG-CA 3.29Å; S482-S485 PolarHBondContact OG-N 2.92Å; S482-S485 PolarHBondContact OG-O 2.79Å; S482-S485 PolarHBondContact OG-OG 3.31Å
483	D	97.5	Very high	96.1	Very high	46 Å²	46	38.3 Å²	38.3	25%	0.246	21%	0.206	C	C	.	.	S	Bend	trans	-83.7	-19.6	175.8	-78	21.4	0	0	0	112.6	R462 G463 A509 R511	R462-D483 PolarHBondContact O-N 2.83Å; G463-D483 WeakPolarHBondContact O-CB 3.4Å; G463-D483 PolarHBondContact O-N 3.12Å; D483-A509 VanDerWaalsContact OD1-CA 3.26Å; D483-A509 WeakPolarHBondContact OD1-CA 3.36Å; D483-R511 IonicContact OD1-CZ 2.78Å; D483-R511 IonicContact OD1-NH1 3.41Å; D483-R511 PolarHBondContact OD1-NH1 3.05Å; D483-R511 IonicContact OD1-NH2 3.69Å; D483-R511 IonicContact OD2-CZ 3.98Å; D483-R511 IonicContact OD2-NH1 2.79Å; D483-R511 PolarHBondContact OD2-NH1 2.83Å; D483-R511 IonicContact OD2-NH2 3.05Å; D483-R511 PolarHBondContact OD2-NH2 2.9Å
484	Y	95.7	Very high	96.3	Very high	153 Å²	153	38.9 Å²	38.9	60%	0.6	20%	0.204	S	C	*	.	S	Bend	trans	-110.5	-10.4	-172.8	-53.8	-34.9	0	0	0	114.8	F439 R462 S482	F439-Y484 HydrophobicContact CZ-CE2 4.41Å; F439-Y484 AromaticContact CZ-CZ 3.99Å; F439-Y484 WeakPolarHBondContact CZ-OH 3.48Å; R462-Y484 HydrophobicContact CB-CD2 4.42Å; R462-Y484 WeakPolarHBondContact O-CD2 3.46Å; R462-Y484 PolarHBondContact O-N 2.82Å; S482-Y484 PolarHBondContact OG-N 2.89Å
485	S	94.9	Very high	96.2	Very high	65 Å²	65	43.4 Å²	43.4	46%	0.455	21%	0.21	S	C	.	.	S	Bend	trans	-151	-177.2	-178.3	67	0	0	0	0	110.8	S482	S482-S485 WeakPolarHBondContact CB-O 3.15Å; S482-S485 WeakPolarHBondContact OG-CA 3.29Å; S482-S485 PolarHBondContact OG-N 2.92Å; S482-S485 PolarHBondContact OG-O 2.79Å; S482-S485 PolarHBondContact OG-OG 3.31Å
486	F	96.6	Very high	96.1	Very high	113 Å²	113	47 Å²	47	50%	0.496	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-61.1	148.4	175.9	-62.2	-64.1	0	0	0	112.4	E504 N506	F486-E504 HydrophobicContact CB-CB 4.21Å; F486-N506 HydrophobicContact CD1-CB 4.12Å; F486-N506 HydrophobicContact CE1-CB 4.16Å
487	T	98.3	Very high	95.9	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	127.6	170.9	-69.9	0	0	0	0	108.6	I479 E504 L505 F513	I479-T487 HydrophobicContact CG2-CG2 3.35Å; T487-E504 CarbonylContact O-C 3.58Å; T487-E504 WeakPolarHBondContact O-CA 3.31Å; T487-L505 WeakPolarHBondContact CB-O 3.47Å; T487-L505 HydrophobicContact CG2-CB 4.33Å; T487-L505 PolarHBondContact N-O 2.85Å; T487-L505 PolarHBondContact O-N 2.81Å; T487-F513 HydrophobicContact CG2-CE2 4.48Å; T487-F513 HydrophobicContact CG2-CZ 3.85Å
488	Q	98.3	Very high	95.8	Very high	22 Å²	22	50 Å²	50	10%	0.103	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	121.4	-177.8	-173.9	70.1	70.2	0	0	110.4	I479 L480 Y490 R501 Q503	I479-Q488 WeakPolarHBondContact CA-O 3.42Å; L480-Q488 PolarHBondContact N-O 2.03Å; L480-Q488 PolarHBondContact O-N 2.9Å; Q488-Y490 HydrophobicContact CB-CD2 4.43Å; Q488-Y490 HydrophobicContact CB-CE2 3.73Å; Q488-Y490 HydrophobicContact CG-CD1 4.41Å; Q488-Y490 HydrophobicContact CG-CD2 3.92Å; Q488-Y490 HydrophobicContact CG-CE1 3.91Å; Q488-Y490 HydrophobicContact CG-CE2 3.36Å; Q488-Y490 HydrophobicContact CG-CG 4.41Å; Q488-R501 HydrophobicContact CG-CG 4.34Å; Q488-Q503 PolarHBondContact NE2-O 2.92Å
489	V	98.4	Very high	95.8	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	131.6	165.9	-165.7	0	0	0	0	108.4	F220 Y477 I479 F502 Q503 L505	F220-V489 HydrophobicContact CD2-CG1 4.2Å; F220-V489 HydrophobicContact CE2-CG1 3.9Å; Y477-V489 HydrophobicContact CD1-CG1 4.21Å; I479-V489 HydrophobicContact CD1-CG1 4.29Å; I479-V489 HydrophobicContact CD1-CG2 4.22Å; I479-V489 HydrophobicContact CG1-CB 4.1Å; I479-V489 HydrophobicContact CG1-CG1 3.77Å; I479-V489 HydrophobicContact CG1-CG2 3.94Å; V489-F502 HydrophobicContact CB-CD1 4.16Å; V489-F502 HydrophobicContact CG1-CD1 3.77Å; V489-F502 HydrophobicContact CG1-CE1 4.49Å; V489-F502 WeakPolarHBondContact O-CB 3.31Å; V489-F502 PolarHBondContact O-N 2.97Å; V489-Q503 WeakPolarHBondContact CA-O 2.98Å; V489-Q503 HydrophobicContact CB-CB 4.09Å; V489-Q503 WeakPolarHBondContact CB-O 3.08Å; V489-Q503 HydrophobicContact CG2-CB 4.1Å; V489-Q503 WeakPolarHBondContact CG2-O 3.4Å; V489-Q503 PolarHBondContact N-O 3.1Å; V489-Q503 PolarHBondContact O-N 2.67Å; V489-L505 HydrophobicContact CG2-CD1 3.69Å; V489-L505 HydrophobicContact CG2-CD2 4.31Å; V489-L505 HydrophobicContact CG2-CG 3.62Å
490	Y	98.3	Very high	95.6	Very high	16 Å²	16	51.7 Å²	51.7	6%	0.063	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	149.7	172.6	-59.1	-97	0	0	0	110.4	M459 Y477 A478 L480 Q488 F499 V500 R501	M459-Y490 HydrophobicContact CG-CE1 4.29Å; M459-Y490 HydrophobicContact CG-CE2 4.36Å; Y477-Y490 CarbonylContact C-O 3.48Å; Y477-Y490 WeakPolarHBondContact CA-O 3.47Å; Y477-Y490 WeakPolarHBondContact CB-O 2.95Å; Y477-Y490 WeakPolarHBondContact CD1-O 3.39Å; A478-Y490 PolarHBondContact N-O 2.88Å; A478-Y490 PolarHBondContact O-N 2.91Å; L480-Y490 HydrophobicContact CB-CE2 3.92Å; L480-Y490 HydrophobicContact CD2-CE2 4.49Å; Q488-Y490 HydrophobicContact CB-CD2 4.43Å; Q488-Y490 HydrophobicContact CB-CE2 3.73Å; Q488-Y490 HydrophobicContact CG-CD1 4.41Å; Q488-Y490 HydrophobicContact CG-CD2 3.92Å; Q488-Y490 HydrophobicContact CG-CE1 3.91Å; Q488-Y490 HydrophobicContact CG-CE2 3.36Å; Q488-Y490 HydrophobicContact CG-CG 4.41Å; Y490-F499 HydrophobicContact CD1-CB 4.34Å; Y490-F499 HydrophobicContact CG-CB 4.31Å; Y490-V500 CarbonylContact C-O 3.52Å; Y490-V500 WeakPolarHBondContact CA-O 3.31Å; Y490-V500 WeakPolarHBondContact CB-O 3.41Å; Y490-R501 HydrophobicContact CD1-CG 4.14Å; Y490-R501 HydrophobicContact CE1-CG 3.73Å
491	R	96.6	Very high	95.5	Very high	56 Å²	56	59.6 Å²	59.6	21%	0.211	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	138.5	175.1	-173.4	178.1	74	172.5	0.6	109.5	W475 Y477 D493 V500 F502	W475-R491 HydrophobicContact CE3-CG 4.33Å; W475-R491 VanDerWaalsContact CZ3-NH1 3.34Å; Y477-R491 HydrophobicContact CD1-CB 3.95Å; Y477-R491 HydrophobicContact CD1-CG 4.09Å; Y477-R491 HydrophobicContact CE1-CB 3.99Å; Y477-R491 HydrophobicContact CE1-CG 3.81Å; R491-D493 PolarHBondContact O-N 2.97Å; R491-V500 PolarHBondContact N-O 2.91Å; R491-V500 VanDerWaalsContact O-CG2 3.31Å; R491-V500 WeakPolarHBondContact O-CG2 3.37Å; R491-V500 PolarHBondContact O-N 2.95Å; R491-F502 HydrophobicContact CB-CB 3.78Å; R491-F502 HydrophobicContact CB-CD2 4.06Å; R491-F502 HydrophobicContact CB-CG 3.94Å
492	W	96.7	Very high	95.4	Very high	28 Å²	28	61.9 Å²	61.9	11%	0.106	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	125.5	177.9	-172.4	-98.5	0	0	0	110.8	F426 V428 Y433 L456 Q476 G497 F499	F426-W492 HydrophobicContact CE2-CE3 4.1Å; F426-W492 AromaticContact CE2-CZ3 3.98Å; F426-W492 HydrophobicContact CE2-CZ3 3.98Å; F426-W492 HydrophobicContact CZ-CE3 4.29Å; F426-W492 AromaticContact CZ-CZ3 3.87Å; F426-W492 HydrophobicContact CZ-CZ3 3.87Å; V428-W492 HydrophobicContact CG2-CD2 4.23Å; V428-W492 HydrophobicContact CG2-CG 4.43Å; V428-W492 HydrophobicContact CG2-CZ2 4.46Å; Y433-W492 HydrophobicContact CD1-CH2 4.14Å; Y433-W492 AromaticContact CE1-CH2 3.65Å; Y433-W492 HydrophobicContact CE1-CH2 3.65Å; Y433-W492 HydrophobicContact CE1-CZ2 4.27Å; Y433-W492 HydrophobicContact CE2-CH2 4.27Å; Y433-W492 HydrophobicContact CE2-CZ2 4.36Å; Y433-W492 AromaticContact CZ-CH2 3.73Å; Y433-W492 AromaticContact CZ-CZ2 3.89Å; L456-W492 HydrophobicContact CD2-CH2 3.76Å; L456-W492 HydrophobicContact CD2-CZ3 4.08Å; Q476-W492 HydrophobicContact CB-CB 3.73Å; Q476-W492 HydrophobicContact CB-CG 4.4Å; Q476-W492 HydrophobicContact CG-CB 3.86Å; Q476-W492 HydrophobicContact CG-CG 4.37Å; Q476-W492 WeakPolarHBondContact O-CB 3.19Å; Q476-W492 PolarHBondContact O-N 3.13Å; W492-G497 WeakPolarHBondContact CH2-O 3.32Å; W492-G497 VanDerWaalsContact CZ2-C 3.42Å; W492-G497 WeakPolarHBondContact CZ2-O 3.49Å; W492-F499 HydrophobicContact CB-CD1 4.22Å; W492-F499 HydrophobicContact CB-CE1 3.97Å; W492-F499 HydrophobicContact CE3-CD1 4.05Å; W492-F499 AromaticContact CE3-CD2 3.81Å; W492-F499 HydrophobicContact CE3-CD2 3.81Å; W492-F499 AromaticContact CE3-CE1 3.93Å; W492-F499 HydrophobicContact CE3-CE1 3.93Å; W492-F499 AromaticContact CE3-CE2 3.74Å; W492-F499 HydrophobicContact CE3-CE2 3.74Å; W492-F499 AromaticContact CE3-CG 3.97Å; W492-F499 HydrophobicContact CE3-CG 3.97Å; W492-F499 AromaticContact CE3-CZ 3.78Å; W492-F499 HydrophobicContact CE3-CZ 3.78Å; W492-F499 AromaticContact CZ3-CD2 3.98Å; W492-F499 HydrophobicContact CZ3-CD2 3.98Å; W492-F499 AromaticContact CZ3-CE2 3.95Å; W492-F499 HydrophobicContact CZ3-CE2 3.95Å; W492-F499 HydrophobicContact CZ3-CZ 4.4Å
493	D	93.1	Very high	95.3	Very high	42 Å²	42	63 Å²	63	23%	0.225	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	107.2	171.3	-174.3	-37.8	0	0	0	108.9	R491 K495 K496 G497 E498 V500	R491-D493 PolarHBondContact O-N 2.97Å; D493-K495 PolarHBondContact O-N 3.49Å; D493-K495 WeakPolarHBondContact OD1-CA 3.16Å; D493-K495 WeakPolarHBondContact OD1-CB 3.23Å; D493-K495 PolarHBondContact OD1-N 2.83Å; D493-K496 HydrophobicContact CB-CB 4.22Å; D493-K496 HydrophobicContact CB-CG 4.35Å; D493-K496 PolarHBondContact O-N 2.93Å; D493-K496 PolarHBondContact OD1-N 2.98Å; D493-K496 VanDerWaalsContact OD1-N 3.07Å; D493-G497 WeakPolarHBondContact O-CA 3.29Å; D493-G497 PolarHBondContact O-N 3.5Å; D493-E498 PolarHBondContact N-O 2.96Å; D493-V500 HydrophobicContact CB-CG1 3.95Å; D493-V500 HydrophobicContact CB-CG2 4.29Å
494	A	88.9	Confident	95.3	Very high	75 Å²	75	66.2 Å²	66.2	62%	0.62	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-21	-178.3	0	0	0	0	0	114
495	K	87.6	Confident	95.4	Very high	206 Å²	206	59.1 Å²	59.1	90%	0.896	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-38.9	177.8	-64.6	179	179.6	173.5	0	111	D493	D493-K495 PolarHBondContact O-N 3.49Å; D493-K495 WeakPolarHBondContact OD1-CA 3.16Å; D493-K495 WeakPolarHBondContact OD1-CB 3.23Å; D493-K495 PolarHBondContact OD1-N 2.83Å
496	K	89.9	Confident	95.5	Very high	130 Å²	130	61.7 Å²	61.7	57%	0.565	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-23.6	178.7	-55.7	-172.9	-172.9	-178.7	0	113.1	D493 E498 V500	D493-K496 HydrophobicContact CB-CB 4.22Å; D493-K496 HydrophobicContact CB-CG 4.35Å; D493-K496 PolarHBondContact O-N 2.93Å; D493-K496 PolarHBondContact OD1-N 2.98Å; D493-K496 VanDerWaalsContact OD1-N 3.07Å; K496-E498 VanDerWaalsContact C-N 3.34Å; K496-E498 HydrophobicContact CB-CG 3.45Å; K496-E498 VanDerWaalsContact CB-CG 3.45Å; K496-E498 HydrophobicContact CD-CG 4.27Å; K496-E498 WeakPolarHBondContact CD-OE1 3.47Å; K496-V500 HydrophobicContact CD-CG1 4.49Å
497	G	93	Very high	95.5	Very high	21 Å²	21	56.7 Å²	56.7	22%	0.216	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.7	33.6	-175	0	0	0	0	0	112.6	L456 W492 D493	L456-G497 WeakPolarHBondContact CD2-O 3.49Å; W492-G497 WeakPolarHBondContact CH2-O 3.32Å; W492-G497 VanDerWaalsContact CZ2-C 3.42Å; W492-G497 WeakPolarHBondContact CZ2-O 3.49Å; D493-G497 WeakPolarHBondContact O-CA 3.29Å; D493-G497 PolarHBondContact O-N 3.5Å
498	E	96.3	Very high	95.4	Very high	61 Å²	61	62.4 Å²	62.4	29%	0.285	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	166.8	-177.6	52.2	168	-179.8	0	0	111.2	Q457 D493 K496	Q457-E498 PolarHBondContact NE2-OE2 2.86Å; Q457-E498 VanDerWaalsContact NE2-OE2 3.08Å; D493-E498 PolarHBondContact N-O 2.96Å; K496-E498 VanDerWaalsContact C-N 3.34Å; K496-E498 HydrophobicContact CB-CG 3.45Å; K496-E498 VanDerWaalsContact CB-CG 3.45Å; K496-E498 HydrophobicContact CD-CG 4.27Å; K496-E498 WeakPolarHBondContact CD-OE1 3.47Å
499	F	97.9	Very high	95.4	Very high	2 Å²	2	61.7 Å²	61.7	1%	0.009	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	134.7	174.9	-80.7	-67.4	0	0	0	111.2	F426 V445 Q457 M459 Q476 A478 Y490 W492	F426-F499 AromaticContact CE1-CE2 3.82Å; F426-F499 HydrophobicContact CE1-CE2 3.82Å; F426-F499 HydrophobicContact CE1-CZ 4.23Å; F426-F499 AromaticContact CE2-CE2 3.98Å; F426-F499 HydrophobicContact CE2-CE2 3.98Å; F426-F499 AromaticContact CE2-CZ 3.86Å; F426-F499 HydrophobicContact CE2-CZ 3.86Å; F426-F499 HydrophobicContact CZ-CD2 4.46Å; F426-F499 AromaticContact CZ-CE2 3.36Å; F426-F499 HydrophobicContact CZ-CE2 3.36Å; F426-F499 AromaticContact CZ-CZ 3.72Å; F426-F499 HydrophobicContact CZ-CZ 3.72Å; V445-F499 HydrophobicContact CG1-CD2 4.44Å; V445-F499 HydrophobicContact CG1-CE2 4.41Å; V445-F499 HydrophobicContact CG2-CD2 4Å; V445-F499 HydrophobicContact CG2-CE2 4.31Å; Q457-F499 PolarHBondContact NE2-O 2.8Å; Q457-F499 PolarHBondContact OE1-O 3.24Å; M459-F499 HydrophobicContact CE-CB 4.16Å; Q476-F499 HydrophobicContact CG-CE1 4.14Å; Q476-F499 HydrophobicContact CG-CZ 4.16Å; A478-F499 HydrophobicContact CB-CD1 4.14Å; A478-F499 HydrophobicContact CB-CD2 4.31Å; A478-F499 HydrophobicContact CB-CE1 3.7Å; A478-F499 HydrophobicContact CB-CE2 3.83Å; A478-F499 HydrophobicContact CB-CG 4.44Å; A478-F499 HydrophobicContact CB-CZ 3.53Å; Y490-F499 HydrophobicContact CD1-CB 4.34Å; Y490-F499 HydrophobicContact CG-CB 4.31Å; W492-F499 HydrophobicContact CB-CD1 4.22Å; W492-F499 HydrophobicContact CB-CE1 3.97Å; W492-F499 HydrophobicContact CE3-CD1 4.05Å; W492-F499 AromaticContact CE3-CD2 3.81Å; W492-F499 HydrophobicContact CE3-CD2 3.81Å; W492-F499 AromaticContact CE3-CE1 3.93Å; W492-F499 HydrophobicContact CE3-CE1 3.93Å; W492-F499 AromaticContact CE3-CE2 3.74Å; W492-F499 HydrophobicContact CE3-CE2 3.74Å; W492-F499 AromaticContact CE3-CG 3.97Å; W492-F499 HydrophobicContact CE3-CG 3.97Å; W492-F499 AromaticContact CE3-CZ 3.78Å; W492-F499 HydrophobicContact CE3-CZ 3.78Å; W492-F499 AromaticContact CZ3-CD2 3.98Å; W492-F499 HydrophobicContact CZ3-CD2 3.98Å; W492-F499 AromaticContact CZ3-CE2 3.95Å; W492-F499 HydrophobicContact CZ3-CE2 3.95Å; W492-F499 HydrophobicContact CZ3-CZ 4.4Å
500	V	95.8	Very high	95.4	Very high	35 Å²	35	61.7 Å²	61.7	21%	0.212	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	145.4	173.3	-63.5	0	0	0	0	110.2	Y490 R491 D493 K496 F502	Y490-V500 CarbonylContact C-O 3.52Å; Y490-V500 WeakPolarHBondContact CA-O 3.31Å; Y490-V500 WeakPolarHBondContact CB-O 3.41Å; R491-V500 PolarHBondContact N-O 2.91Å; R491-V500 VanDerWaalsContact O-CG2 3.31Å; R491-V500 WeakPolarHBondContact O-CG2 3.37Å; R491-V500 PolarHBondContact O-N 2.95Å; D493-V500 HydrophobicContact CB-CG1 3.95Å; D493-V500 HydrophobicContact CB-CG2 4.29Å; K496-V500 HydrophobicContact CD-CG1 4.49Å; V500-F502 PolarHBondContact O-N 3.37Å
501	R	95.9	Very high	95.3	Very high	173 Å²	173	62.8 Å²	62.8	65%	0.653	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.4	136.2	175.5	-69.3	-172.5	-175.6	175.4	2.2	109.7	Q488 Y490	Q488-R501 HydrophobicContact CG-CG 4.34Å; Y490-R501 HydrophobicContact CD1-CG 4.14Å; Y490-R501 HydrophobicContact CE1-CG 3.73Å
502	F	95.4	Very high	95.4	Very high	47 Å²	47	61 Å²	61	21%	0.206	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	-56	-172.3	170.7	-104.9	0	0	0	112.5	T218 F220 Y477 V489 R491 V500	T218-F502 WeakPolarHBondContact O-CZ 3.22Å; T218-F502 WeakPolarHBondContact OG1-CZ 3.43Å; F220-F502 HydrophobicContact CD2-CE1 4.05Å; F220-F502 HydrophobicContact CE2-CE1 4.03Å; Y477-F502 HydrophobicContact CD1-CD1 4.17Å; Y477-F502 HydrophobicContact CD1-CE1 4.41Å; Y477-F502 AromaticContact CE1-CD1 3.88Å; Y477-F502 HydrophobicContact CE1-CD1 3.88Å; Y477-F502 AromaticContact CE1-CE1 3.77Å; Y477-F502 HydrophobicContact CE1-CE1 3.77Å; Y477-F502 HydrophobicContact CE1-CE2 4.48Å; Y477-F502 HydrophobicContact CE1-CG 4.3Å; Y477-F502 HydrophobicContact CE1-CZ 4.08Å; V489-F502 HydrophobicContact CB-CD1 4.16Å; V489-F502 HydrophobicContact CG1-CD1 3.77Å; V489-F502 HydrophobicContact CG1-CE1 4.49Å; V489-F502 WeakPolarHBondContact O-CB 3.31Å; V489-F502 PolarHBondContact O-N 2.97Å; R491-F502 HydrophobicContact CB-CB 3.78Å; R491-F502 HydrophobicContact CB-CD2 4.06Å; R491-F502 HydrophobicContact CB-CG 3.94Å; V500-F502 PolarHBondContact O-N 3.37Å
503	Q	96.2	Very high	95.5	Very high	33 Å²	33	60.1 Å²	60.1	15%	0.154	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	155.9	-178.6	-172.6	-179.5	0.1	0	0	110.1	F220 Q488 V489 L505	F220-Q503 PolarHBondContact O-NE2 3.01Å; Q488-Q503 PolarHBondContact NE2-O 2.92Å; V489-Q503 WeakPolarHBondContact CA-O 2.98Å; V489-Q503 HydrophobicContact CB-CB 4.09Å; V489-Q503 WeakPolarHBondContact CB-O 3.08Å; V489-Q503 HydrophobicContact CG2-CB 4.1Å; V489-Q503 WeakPolarHBondContact CG2-O 3.4Å; V489-Q503 PolarHBondContact N-O 3.1Å; V489-Q503 PolarHBondContact O-N 2.67Å; Q503-L505 HydrophobicContact CG-CD2 4.29Å
504	E	97.7	Very high	95.7	Very high	112 Å²	112	58.6 Å²	58.6	52%	0.523	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	134.1	171	-67.2	179.5	169.9	0	0	109.9	F486 T487	F486-E504 HydrophobicContact CB-CB 4.21Å; T487-E504 CarbonylContact O-C 3.58Å; T487-E504 WeakPolarHBondContact O-CA 3.31Å
505	L	97.8	Very high	96.1	Very high	5 Å²	5	57.2 Å²	57.2	3%	0.026	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	138.9	176.4	-55.4	179.5	0	0	0	109.9	F220 I479 T487 V489 Q503 I507 L524 Y536	F220-L505 HydrophobicContact CB-CD2 4.28Å; I479-L505 HydrophobicContact CD1-CD1 4.4Å; T487-L505 WeakPolarHBondContact CB-O 3.47Å; T487-L505 HydrophobicContact CG2-CB 4.33Å; T487-L505 PolarHBondContact N-O 2.85Å; T487-L505 PolarHBondContact O-N 2.81Å; V489-L505 HydrophobicContact CG2-CD1 3.69Å; V489-L505 HydrophobicContact CG2-CD2 4.31Å; V489-L505 HydrophobicContact CG2-CG 3.62Å; Q503-L505 HydrophobicContact CG-CD2 4.29Å; L505-I507 HydrophobicContact CB-CD1 3.92Å; L505-I507 HydrophobicContact CB-CG1 4.36Å; L505-I507 HydrophobicContact CD1-CD1 4.19Å; L505-L524 HydrophobicContact CD1-CD2 4.31Å; L505-Y536 HydrophobicContact CD1-CE2 4.32Å; L505-Y536 HydrophobicContact CD2-CD1 4.16Å; L505-Y536 HydrophobicContact CD2-CE1 3.83Å
506	N	96.2	Very high	96.5	Very high	118 Å²	118	47.6 Å²	47.6	63%	0.631	23%	0.233	S	C	*	.			trans	-99.2	92.3	176.1	-172.4	6.9	0	0	0	110.3	F486	F486-N506 HydrophobicContact CD1-CB 4.12Å; F486-N506 HydrophobicContact CE1-CB 4.16Å
507	I	96.8	Very high	96.7	Very high	9 Å²	9	44.4 Å²	44.4	5%	0.046	23%	0.227	C	C	.	.			trans	-127	130	178.9	-57.2	152.9	0	0	0	107.7	L505 A509 P510 F513 A526 Y536	L505-I507 HydrophobicContact CB-CD1 3.92Å; L505-I507 HydrophobicContact CB-CG1 4.36Å; L505-I507 HydrophobicContact CD1-CD1 4.19Å; I507-A509 PolarHBondContact O-N 2.67Å; I507-P510 HydrophobicContact CB-CB 4.45Å; I507-P510 HydrophobicContact CG2-CB 4.02Å; I507-F513 HydrophobicContact CD1-CE1 3.58Å; I507-F513 HydrophobicContact CD1-CZ 3.86Å; I507-A526 HydrophobicContact CD1-CB 3.7Å; I507-A526 HydrophobicContact CG1-CB 4.41Å; I507-Y536 HydrophobicContact CD1-CE2 3.95Å; I507-Y536 HydrophobicContact CG1-CE2 4.17Å; I507-Y536 VanDerWaalsContact CG1-OH 3.32Å; I507-Y536 WeakPolarHBondContact CG1-OH 3.47Å
508	Q	96.9	Very high	96.7	Very high	119 Å²	119	43.8 Å²	43.8	56%	0.556	22%	0.218	S	C	*	.	S	Bend	trans	-80.7	118.1	-179.6	-65.8	-178.7	-3.3	0	0	110.3	S528	Q508-S528 PolarHBondContact O-OG 3.32Å
509	A	97.6	Very high	96.3	Very high	8 Å²	8	45.7 Å²	45.7	7%	0.066	23%	0.231	C	C	.	.	S	Bend	trans	49	63.7	177.8	0	0	0	0	0	113.5	D483 I507 R511 F529 K530	D483-A509 VanDerWaalsContact OD1-CA 3.26Å; D483-A509 WeakPolarHBondContact OD1-CA 3.36Å; I507-A509 PolarHBondContact O-N 2.67Å; A509-R511 PolarHBondContact O-NH1 2.65Å; A509-F529 HydrophobicContact CB-CB 4.17Å; A509-F529 WeakPolarHBondContact O-CB 3.5Å; A509-F529 PolarHBondContact O-N 3.31Å; A509-K530 HydrophobicContact CB-CB 4.1Å; A509-K530 HydrophobicContact CB-CD 4.24Å; A509-K530 HydrophobicContact CB-CG 4Å
510	P	98.2	Very high	95.8	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	143	-178.8	30.6	-37.4	0	0	0	111.4	V466 I507 F513 S527	V466-P510 HydrophobicContact CG1-CB 4.39Å; I507-P510 HydrophobicContact CB-CB 4.45Å; I507-P510 HydrophobicContact CG2-CB 4.02Å; P510-F513 HydrophobicContact CB-CE2 3.98Å; P510-F513 HydrophobicContact CB-CZ 3.74Å; P510-S527 WeakPolarHBondContact CA-O 3.33Å
511	R	97.8	Very high	95.7	Very high	39 Å²	39	54.7 Å²	54.7	15%	0.147	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	-28.2	-179.1	-64.2	-67.1	174	-98.3	8	114.6	I231 D483 A509 S527 F529	I231-R511 HydrophobicContact CG1-CB 4.41Å; I231-R511 HydrophobicContact CG1-CG 4.25Å; I231-R511 WeakPolarHBondContact O-CB 3.41Å; D483-R511 IonicContact OD1-CZ 2.78Å; D483-R511 IonicContact OD1-NH1 3.41Å; D483-R511 PolarHBondContact OD1-NH1 3.05Å; D483-R511 IonicContact OD1-NH2 3.69Å; D483-R511 IonicContact OD2-CZ 3.98Å; D483-R511 IonicContact OD2-NH1 2.79Å; D483-R511 PolarHBondContact OD2-NH1 2.83Å; D483-R511 IonicContact OD2-NH2 3.05Å; D483-R511 PolarHBondContact OD2-NH2 2.9Å; A509-R511 PolarHBondContact O-NH1 2.65Å; R511-S527 WeakPolarHBondContact CB-OG 3.35Å; R511-S527 PolarHBondContact N-OG 3.15Å; R511-F529 HydrophobicContact CG-CB 3.71Å; R511-F529 HydrophobicContact CG-CG 4.41Å
512	A	98.1	Very high	95.6	Very high	19 Å²	19	48.4 Å²	48.4	16%	0.157	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	149.8	-178.2	0	0	0	0	0	110.1	V233 S527	V233-A512 HydrophobicContact CG1-CB 3.94Å; A512-S527 PolarHBondContact N-OG 2.89Å; A512-S527 PolarHBondContact O-N 3.2Å; A512-S527 PolarHBondContact O-OG 2.81Å
513	F	98.4	Very high	95.7	Very high	8 Å²	8	46.3 Å²	46.3	4%	0.035	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	131.4	174.7	-67.6	-82.7	0	0	0	108.8	V466 Q468 I479 T487 I507 P510 L524 L525 A526	V466-F513 HydrophobicContact CG1-CD2 3.94Å; V466-F513 HydrophobicContact CG1-CE2 3.57Å; V466-F513 HydrophobicContact CG2-CD2 3.89Å; V466-F513 HydrophobicContact CG2-CE2 4.38Å; Q468-F513 HydrophobicContact CB-CB 4.15Å; Q468-F513 HydrophobicContact CB-CD2 4.39Å; Q468-F513 HydrophobicContact CG-CB 4.12Å; I479-F513 HydrophobicContact CB-CD2 4.29Å; I479-F513 HydrophobicContact CB-CE2 4.38Å; I479-F513 HydrophobicContact CD1-CD1 4.23Å; I479-F513 HydrophobicContact CD1-CE1 4.49Å; I479-F513 HydrophobicContact CG2-CD1 4.29Å; I479-F513 HydrophobicContact CG2-CD2 3.78Å; I479-F513 HydrophobicContact CG2-CE1 3.94Å; I479-F513 HydrophobicContact CG2-CE2 3.39Å; I479-F513 HydrophobicContact CG2-CG 4.22Å; I479-F513 HydrophobicContact CG2-CZ 3.5Å; T487-F513 HydrophobicContact CG2-CE2 4.48Å; T487-F513 HydrophobicContact CG2-CZ 3.85Å; I507-F513 HydrophobicContact CD1-CE1 3.58Å; I507-F513 HydrophobicContact CD1-CZ 3.86Å; P510-F513 HydrophobicContact CB-CE2 3.98Å; P510-F513 HydrophobicContact CB-CZ 3.74Å; F513-L524 HydrophobicContact CB-CD1 4.19Å; F513-L524 HydrophobicContact CD1-CD1 4.42Å; F513-L524 HydrophobicContact CD1-CD2 4.29Å; F513-L524 HydrophobicContact CD1-CG 4.38Å; F513-L525 VanDerWaalsContact CA-O 3.27Å; F513-L525 WeakPolarHBondContact CA-O 3.47Å; F513-A526 HydrophobicContact CD1-CB 3.74Å; F513-A526 HydrophobicContact CE1-CB 3.51Å
514	S	97.8	Very high	95.8	Very high	10 Å²	10	44.8 Å²	44.8	7%	0.07	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	117.9	177.3	-174.6	0	0	0	0	109.7	A235 L525	A235-S514 WeakPolarHBondContact CB-OG 3.46Å; A235-S514 PolarHBondContact N-OG 3.43Å; S514-L525 PolarHBondContact N-O 3.08Å; S514-L525 WeakPolarHBondContact O-CB 3.28Å; S514-L525 WeakPolarHBondContact O-CG 3.46Å; S514-L525 PolarHBondContact O-N 3.05Å
515	P	97.1	Very high	95.8	Very high	46 Å²	46	39.5 Å²	39.5	30%	0.299	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	149.3	169.5	33.1	-36.3	0	0	0	110.1	F470 F523	F470-P515 HydrophobicContact CB-CG 4.03Å; F470-P515 HydrophobicContact CD2-CB 4.24Å; P515-F523 CarbonylContact C-O 3.49Å; P515-F523 WeakPolarHBondContact CA-O 3.48Å
516	V	95.7	Very high	95.9	Very high	5 Å²	5	39.2 Å²	39.2	3%	0.03	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	135	172.6	62.9	0	0	0	0	110.2	A235 Q242 F266 I518 F523 L525	A235-V516 HydrophobicContact CB-CB 3.74Å; A235-V516 HydrophobicContact CB-CG2 3.92Å; Q242-V516 HydrophobicContact CB-CG2 4.41Å; F266-V516 HydrophobicContact CZ-CG1 3.94Å; V516-I518 HydrophobicContact CG2-CD1 4.14Å; V516-I518 HydrophobicContact CG2-CG1 4.05Å; V516-F523 HydrophobicContact CG1-CB 3.71Å; V516-F523 HydrophobicContact CG1-CD2 4.36Å; V516-F523 PolarHBondContact N-O 2.87Å; V516-F523 PolarHBondContact O-N 3.03Å; V516-L525 HydrophobicContact CB-CD1 4.35Å; V516-L525 HydrophobicContact CG1-CD1 3.99Å; V516-L525 HydrophobicContact CG1-CD2 4.36Å; V516-L525 HydrophobicContact CG1-CG 4.08Å
517	S	94.1	Very high	96	Very high	63 Å²	63	33.6 Å²	33.6	44%	0.441	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	123.6	179.4	-52.4	0	0	0	0	110	R521 Q522	S517-R521 WeakPolarHBondContact CA-O 3.49Å; S517-Q522 VanDerWaalsContact CB-NE2 3.34Å; S517-Q522 PolarHBondContact OG-NE2 3.46Å; S517-Q522 PolarHBondContact OG-OE1 2.8Å
518	I	92.6	Very high	96	Very high	7 Å²	7	33.2 Å²	33.2	4%	0.036	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	122.8	-179.6	-55.2	160.9	0	0	0	108.7	Q242 W259 F266 V516 N520 R521 F523	Q242-I518 HydrophobicContact CB-CD1 4.42Å; Q242-I518 HydrophobicContact CB-CG1 3.92Å; Q242-I518 HydrophobicContact CG-CG1 3.98Å; W259-I518 HydrophobicContact CB-CD1 3.94Å; W259-I518 HydrophobicContact CB-CG2 4.25Å; W259-I518 HydrophobicContact CD2-CD1 3.85Å; W259-I518 HydrophobicContact CD2-CG2 3.97Å; W259-I518 HydrophobicContact CE3-CD1 3.73Å; W259-I518 HydrophobicContact CG-CD1 3.96Å; W259-I518 HydrophobicContact CG-CG2 3.65Å; F266-I518 HydrophobicContact CE1-CD1 3.68Å; F266-I518 HydrophobicContact CE2-CD1 4.47Å; F266-I518 HydrophobicContact CZ-CD1 3.46Å; F266-I518 VanDerWaalsContact CZ-CD1 3.46Å; V516-I518 HydrophobicContact CG2-CD1 4.14Å; V516-I518 HydrophobicContact CG2-CG1 4.05Å; I518-N520 VanDerWaalsContact C-N 3.32Å; I518-N520 PolarHBondContact O-N 2.84Å; I518-R521 PolarHBondContact N-O 2.94Å; I518-R521 WeakPolarHBondContact O-CA 3.23Å; I518-R521 VanDerWaalsContact O-CB 3.28Å; I518-R521 WeakPolarHBondContact O-CB 3.24Å; I518-R521 PolarHBondContact O-N 2.94Å; I518-F523 HydrophobicContact CB-CE2 4.44Å; I518-F523 HydrophobicContact CD1-CD2 4.19Å; I518-F523 HydrophobicContact CD1-CE2 4.25Å
519	D	87.8	Confident	96	Very high	102 Å²	102	30.3 Å²	30.3	55%	0.545	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.4	48	175.5	-58.3	-21.7	0	0	0	114.6	H261 R521	H261-D519 IonicContact CE1-OD1 3.07Å; H261-D519 IonicContact CE1-OD2 3.81Å; H261-D519 PolarHBondContact CE1-OD2 3.14Å; H261-D519 IonicContact ND1-OD2 3.92Å; H261-D519 PolarHBondContact ND1-OD2 3.38Å; D519-R521 PolarHBondContact O-N 3.36Å; D519-R521 VanDerWaalsContact O-N 3.09Å
520	N	87.8	Confident	95.9	Very high	167 Å²	167	36.9 Å²	36.9	89%	0.893	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.5	-1	-173.6	-60.2	-30.8	0	0	0	116.1	I518	I518-N520 VanDerWaalsContact C-N 3.32Å; I518-N520 PolarHBondContact O-N 2.84Å
521	R	93.1	Very high	95.8	Very high	59 Å²	59	37.2 Å²	37.2	22%	0.223	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	148.4	169	-55.4	177.8	69.6	-169	-2	109.3	Y223 S517 I518 D519 F523 E537	Y223-R521 VanDerWaalsContact CZ-NH2 3.32Å; Y223-R521 PolarHBondContact OH-NH1 2.78Å; Y223-R521 PolarHBondContact OH-NH2 2.9Å; S517-R521 WeakPolarHBondContact CA-O 3.49Å; I518-R521 PolarHBondContact N-O 2.94Å; I518-R521 WeakPolarHBondContact O-CA 3.23Å; I518-R521 VanDerWaalsContact O-CB 3.28Å; I518-R521 WeakPolarHBondContact O-CB 3.24Å; I518-R521 PolarHBondContact O-N 2.94Å; D519-R521 PolarHBondContact O-N 3.36Å; D519-R521 VanDerWaalsContact O-N 3.09Å; R521-F523 HydrophobicContact CB-CE2 3.71Å; R521-F523 HydrophobicContact CB-CZ 3.88Å; R521-E537 IonicContact CZ-OE1 3.61Å; R521-E537 VanDerWaalsContact CZ-OE1 3.23Å; R521-E537 IonicContact CZ-OE2 3.5Å; R521-E537 IonicContact NE-OE1 3.68Å; R521-E537 PolarHBondContact NE-OE1 2.81Å; R521-E537 IonicContact NH2-OE1 2.91Å; R521-E537 PolarHBondContact NH2-OE1 2.84Å; R521-E537 IonicContact NH2-OE2 2.7Å; R521-E537 PolarHBondContact NH2-OE2 3.29Å
522	Q	95.4	Very high	95.7	Very high	41 Å²	41	41.2 Å²	41.2	19%	0.192	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	122.4	-173.8	-64.6	-64.2	-24.1	0	0	107.5	V472 S517 H538	V472-Q522 HydrophobicContact CG1-CB 3.51Å; V472-Q522 HydrophobicContact CG1-CG 3.6Å; S517-Q522 VanDerWaalsContact CB-NE2 3.34Å; S517-Q522 PolarHBondContact OG-NE2 3.46Å; S517-Q522 PolarHBondContact OG-OE1 2.8Å; Q522-H538 HydrophobicContact CB-CB 3.89Å; Q522-H538 PolarHBondContact O-N 3.13Å
523	F	97	Very high	95.7	Very high	3 Å²	3	40.3 Å²	40.3	1%	0.013	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	152	179.2	-54.8	-85.3	0	0	0	110.7	Y223 W259 F266 P515 V516 I518 R521 I535 Y536 E537	Y223-F523 HydrophobicContact CD1-CD1 4.2Å; Y223-F523 AromaticContact CD1-CE1 3.82Å; Y223-F523 HydrophobicContact CD1-CE1 3.82Å; Y223-F523 HydrophobicContact CD2-CE1 4.09Å; Y223-F523 AromaticContact CE1-CE1 3.85Å; Y223-F523 HydrophobicContact CE1-CE1 3.85Å; Y223-F523 HydrophobicContact CE1-CZ 4.44Å; Y223-F523 HydrophobicContact CE2-CE1 4.15Å; Y223-F523 HydrophobicContact CG-CD1 4.26Å; Y223-F523 AromaticContact CG-CE1 3.92Å; Y223-F523 HydrophobicContact CG-CE1 3.92Å; W259-F523 HydrophobicContact CE3-CE2 4.41Å; W259-F523 HydrophobicContact CH2-CE1 4.34Å; W259-F523 AromaticContact CH2-CE2 3.83Å; W259-F523 HydrophobicContact CH2-CE2 3.83Å; W259-F523 AromaticContact CH2-CZ 3.42Å; W259-F523 HydrophobicContact CH2-CZ 3.42Å; W259-F523 VanDerWaalsContact CH2-CZ 3.42Å; W259-F523 HydrophobicContact CZ2-CZ 4.32Å; W259-F523 HydrophobicContact CZ3-CE1 4.36Å; W259-F523 AromaticContact CZ3-CE2 3.76Å; W259-F523 HydrophobicContact CZ3-CE2 3.76Å; W259-F523 AromaticContact CZ3-CZ 3.62Å; W259-F523 HydrophobicContact CZ3-CZ 3.62Å; F266-F523 HydrophobicContact CE2-CD2 4.23Å; F266-F523 HydrophobicContact CE2-CG 4.19Å; F266-F523 HydrophobicContact CZ-CD2 4.22Å; F266-F523 HydrophobicContact CZ-CG 4.48Å; P515-F523 CarbonylContact C-O 3.49Å; P515-F523 WeakPolarHBondContact CA-O 3.48Å; V516-F523 HydrophobicContact CG1-CB 3.71Å; V516-F523 HydrophobicContact CG1-CD2 4.36Å; V516-F523 PolarHBondContact N-O 2.87Å; V516-F523 PolarHBondContact O-N 3.03Å; I518-F523 HydrophobicContact CB-CE2 4.44Å; I518-F523 HydrophobicContact CD1-CD2 4.19Å; I518-F523 HydrophobicContact CD1-CE2 4.25Å; R521-F523 HydrophobicContact CB-CE2 3.71Å; R521-F523 HydrophobicContact CB-CZ 3.88Å; F523-I535 HydrophobicContact CB-CG2 4.09Å; F523-I535 HydrophobicContact CD1-CG2 4.11Å; F523-I535 HydrophobicContact CG-CG2 4.42Å; F523-Y536 CarbonylContact C-O 3.51Å; F523-Y536 WeakPolarHBondContact CA-O 3.46Å; F523-Y536 WeakPolarHBondContact CB-O 3.41Å; F523-E537 HydrophobicContact CD1-CB 3.96Å; F523-E537 HydrophobicContact CD1-CG 4.2Å; F523-E537 HydrophobicContact CE1-CB 3.98Å; F523-E537 HydrophobicContact CE1-CG 3.95Å
524	L	98	Very high	95.6	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	114.8	170.6	177.7	73.8	0	0	0	108.3	F220 F470 I479 L505 F513 Y536	F220-L524 HydrophobicContact CD1-CB 3.89Å; F220-L524 HydrophobicContact CD1-CD2 3.91Å; F220-L524 HydrophobicContact CE1-CB 4Å; F220-L524 HydrophobicContact CE1-CD2 4.09Å; F220-L524 HydrophobicContact CG-CD2 4.37Å; F470-L524 HydrophobicContact CD2-CD1 4.46Å; F470-L524 HydrophobicContact CE1-CD1 4.43Å; F470-L524 HydrophobicContact CE2-CD1 4.06Å; F470-L524 HydrophobicContact CZ-CD1 4.06Å; F470-L524 HydrophobicContact CZ-CD2 4.36Å; I479-L524 HydrophobicContact CD1-CD1 4.29Å; I479-L524 HydrophobicContact CD1-CD2 3.31Å; I479-L524 HydrophobicContact CD1-CG 4.4Å; L505-L524 HydrophobicContact CD1-CD2 4.31Å; F513-L524 HydrophobicContact CB-CD1 4.19Å; F513-L524 HydrophobicContact CD1-CD1 4.42Å; F513-L524 HydrophobicContact CD1-CD2 4.29Å; F513-L524 HydrophobicContact CD1-CG 4.38Å; L524-Y536 PolarHBondContact N-O 3.12Å; L524-Y536 PolarHBondContact O-N 2.84Å
525	L	98.2	Very high	95.6	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	131.5	176.4	-50.5	158.8	0	0	0	108.3	V233 A235 V244 F246 F266 F513 S514 V516 I535	V233-L525 HydrophobicContact CG1-CB 4.34Å; V233-L525 HydrophobicContact CG2-CB 3.72Å; V233-L525 HydrophobicContact CG2-CD1 3.83Å; V233-L525 HydrophobicContact CG2-CG 4.38Å; A235-L525 HydrophobicContact CB-CD1 4.1Å; V244-L525 HydrophobicContact CB-CD1 4.22Å; V244-L525 HydrophobicContact CG1-CD1 3.48Å; V244-L525 VanDerWaalsContact CG1-CD1 3.48Å; V244-L525 HydrophobicContact CG1-CD2 4.34Å; V244-L525 HydrophobicContact CG1-CG 4.47Å; V244-L525 HydrophobicContact CG2-CD1 3.64Å; V244-L525 HydrophobicContact CG2-CD2 4.31Å; F246-L525 HydrophobicContact CZ-CD2 4.37Å; F266-L525 HydrophobicContact CZ-CD2 4.42Å; F513-L525 VanDerWaalsContact CA-O 3.27Å; F513-L525 WeakPolarHBondContact CA-O 3.47Å; S514-L525 PolarHBondContact N-O 3.08Å; S514-L525 WeakPolarHBondContact O-CB 3.28Å; S514-L525 WeakPolarHBondContact O-CG 3.46Å; S514-L525 PolarHBondContact O-N 3.05Å; V516-L525 HydrophobicContact CB-CD1 4.35Å; V516-L525 HydrophobicContact CG1-CD1 3.99Å; V516-L525 HydrophobicContact CG1-CD2 4.36Å; V516-L525 HydrophobicContact CG1-CG 4.08Å; L525-I535 HydrophobicContact CD2-CD1 3.84Å; L525-I535 HydrophobicContact CD2-CG1 3.87Å; L525-I535 HydrophobicContact CD2-CG2 4.09Å
526	A	98.4	Very high	95.7	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	110.8	-177.1	0	0	0	0	0	110.6	I507 F513 T533 Q534 Y536	I507-A526 HydrophobicContact CD1-CB 3.7Å; I507-A526 HydrophobicContact CG1-CB 4.41Å; F513-A526 HydrophobicContact CD1-CB 3.74Å; F513-A526 HydrophobicContact CE1-CB 3.51Å; A526-T533 WeakPolarHBondContact O-CG2 3.22Å; A526-Q534 HydrophobicContact CB-CB 4.49Å; A526-Q534 PolarHBondContact N-O 2.61Å; A526-Q534 PolarHBondContact O-N 2.87Å; A526-Y536 HydrophobicContact CB-CD2 4.38Å; A526-Y536 HydrophobicContact CB-CE2 4.04Å
527	S	98.3	Very high	95.8	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	146.1	175.5	74.8	0	0	0	0	111	S230 P510 R511 A512	S230-S527 VanDerWaalsContact OG-CA 3.31Å; S230-S527 WeakPolarHBondContact OG-CA 3.4Å; S230-S527 WeakPolarHBondContact OG-CB 3.14Å; P510-S527 WeakPolarHBondContact CA-O 3.33Å; R511-S527 WeakPolarHBondContact CB-OG 3.35Å; R511-S527 PolarHBondContact N-OG 3.15Å; A512-S527 PolarHBondContact N-OG 2.89Å; A512-S527 PolarHBondContact O-N 3.2Å; A512-S527 PolarHBondContact O-OG 2.81Å
528	S	98.1	Very high	95.9	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.007	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	118.1	179.4	179	0	0	0	0	109.2	E229 S230 Q508 G531 K532	E229-S528 CarbonylContact C-O 3.58Å; E229-S528 VanDerWaalsContact CA-O 3.28Å; E229-S528 WeakPolarHBondContact CA-O 3.29Å; E229-S528 WeakPolarHBondContact CB-O 3.38Å; S230-S528 PolarHBondContact N-O 3.41Å; S230-S528 CarbonylContact O-C 3.45Å; S230-S528 PolarHBondContact O-N 2.73Å; S230-S528 VanDerWaalsContact O-O 3.05Å; Q508-S528 PolarHBondContact O-OG 3.32Å; S528-G531 WeakPolarHBondContact CB-O 3.37Å; S528-G531 VanDerWaalsContact OG-CA 3.24Å; S528-G531 WeakPolarHBondContact OG-CA 3.39Å; S528-G531 PolarHBondContact OG-N 2.87Å; S528-G531 PolarHBondContact OG-O 3.36Å; S528-K532 WeakPolarHBondContact CB-O 3.26Å
529	F	97.3	Very high	96	Very high	57 Å²	57	41.4 Å²	41.4	25%	0.25	20%	0.198	C	C	.	.	S	Bend	trans	-80.4	-25.1	-175.3	-174.4	-110.1	0	0	0	113.5	S230 I231 P249 F250 A509 R511	S230-F529 PolarHBondContact O-N 2.91Å; I231-F529 HydrophobicContact CB-CD2 4.17Å; I231-F529 HydrophobicContact CD1-CD2 4.22Å; I231-F529 HydrophobicContact CD1-CE2 4.05Å; I231-F529 HydrophobicContact CG1-CD2 4.18Å; I231-F529 HydrophobicContact CG1-CE2 4.5Å; P249-F529 HydrophobicContact CG-CE2 4.3Å; F250-F529 HydrophobicContact CE2-CD2 4.19Å; F250-F529 AromaticContact CE2-CE2 3.94Å; F250-F529 HydrophobicContact CE2-CE2 3.94Å; F250-F529 HydrophobicContact CE2-CZ 4.29Å; F250-F529 WeakPolarHBondContact CE2-O 3.35Å; F250-F529 HydrophobicContact CZ-CD2 4.43Å; F250-F529 HydrophobicContact CZ-CE1 4.26Å; F250-F529 AromaticContact CZ-CE2 3.82Å; F250-F529 HydrophobicContact CZ-CE2 3.82Å; F250-F529 AromaticContact CZ-CZ 3.72Å; F250-F529 HydrophobicContact CZ-CZ 3.72Å; A509-F529 HydrophobicContact CB-CB 4.17Å; A509-F529 WeakPolarHBondContact O-CB 3.5Å; A509-F529 PolarHBondContact O-N 3.31Å; R511-F529 HydrophobicContact CG-CB 3.71Å; R511-F529 HydrophobicContact CG-CG 4.41Å
530	K	95.6	Very high	96.2	Very high	147 Å²	147	41.2 Å²	41.2	64%	0.639	20%	0.2	S	C	*	.	S	Bend	trans	-118.5	-7.6	-178.1	-69.8	-172.4	176.9	178.1	0	114	A509	A509-K530 HydrophobicContact CB-CB 4.1Å; A509-K530 HydrophobicContact CB-CD 4.24Å; A509-K530 HydrophobicContact CB-CG 4Å
531	G	95.1	Very high	96.3	Very high	7 Å²	7	35.8 Å²	35.8	7%	0.072	17%	0.171	C	C	.	.	S	Bend	trans	-137.2	-166.2	-177.4	0	0	0	0	0	111.5	E229 S528	E229-G531 WeakPolarHBondContact CA-O 3.43Å; E229-G531 WeakPolarHBondContact CG-O 3.14Å; S528-G531 WeakPolarHBondContact CB-O 3.37Å; S528-G531 VanDerWaalsContact OG-CA 3.24Å; S528-G531 WeakPolarHBondContact OG-CA 3.39Å; S528-G531 PolarHBondContact OG-N 2.87Å; S528-G531 PolarHBondContact OG-O 3.36Å
532	K	95.8	Very high	95.9	Very high	123 Å²	123	36.6 Å²	36.6	54%	0.535	18%	0.179	S	C	.	.			trans	-73.3	130.4	-179.8	-68.5	178.1	-173.7	174.2	0	110.3	L226 S528 Q534	L226-K532 VanDerWaalsContact O-CB 3.31Å; L226-K532 WeakPolarHBondContact O-CB 3.21Å; S528-K532 WeakPolarHBondContact CB-O 3.26Å; K532-Q534 VanDerWaalsContact CB-NE2 3.29Å; K532-Q534 PolarHBondContact O-N 2.98Å; K532-Q534 PolarHBondContact O-NE2 3.18Å
533	T	97.6	Very high	95.3	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.191	C	C	.	.			trans	-58.8	133.8	167.8	-58.5	0	0	0	0	109.4	L226 F228 S230 F246 A526	L226-T533 HydrophobicContact CD1-CG2 3.87Å; L226-T533 PolarHBondContact N-O 2.83Å; F228-T533 HydrophobicContact CE2-CG2 4.21Å; F228-T533 WeakPolarHBondContact O-CB 3.39Å; F228-T533 PolarHBondContact O-N 3.29Å; F228-T533 PolarHBondContact O-OG1 2.97Å; S230-T533 WeakPolarHBondContact CB-OG1 3.44Å; S230-T533 PolarHBondContact N-OG1 3.14Å; S230-T533 PolarHBondContact OG-OG1 2.86Å; F246-T533 HydrophobicContact CD1-CG2 3.93Å; F246-T533 HydrophobicContact CE1-CG2 3.37Å; F246-T533 HydrophobicContact CZ-CG2 4.02Å; A526-T533 WeakPolarHBondContact O-CG2 3.22Å
534	Q	97.8	Very high	94.1	Very high	33 Å²	33	39.2 Å²	39.2	15%	0.154	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	149.1	-176.8	-59.5	-52.7	-56.8	0	0	111	S225 A526 K532 Y536	S225-Q534 PolarHBondContact OG-NE2 3.37Å; S225-Q534 PolarHBondContact OG-OE1 2.87Å; A526-Q534 HydrophobicContact CB-CB 4.49Å; A526-Q534 PolarHBondContact N-O 2.61Å; A526-Q534 PolarHBondContact O-N 2.87Å; K532-Q534 VanDerWaalsContact CB-NE2 3.29Å; K532-Q534 PolarHBondContact O-N 2.98Å; K532-Q534 PolarHBondContact O-NE2 3.18Å; Q534-Y536 HydrophobicContact CB-CD2 4.31Å; Q534-Y536 HydrophobicContact CB-CE2 3.59Å; Q534-Y536 HydrophobicContact CG-CE2 4.42Å
535	I	97.9	Very high	92.3	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	130.2	167.3	-52.8	-173.9	0	0	0	106.8	Y223 Q224 L226 F266 F523 L525	Y223-I535 WeakPolarHBondContact CA-O 3.1Å; Y223-I535 WeakPolarHBondContact CB-O 3.22Å; Y223-I535 HydrophobicContact CD1-CG2 4.36Å; Y223-I535 PolarHBondContact N-O 2.68Å; Q224-I535 HydrophobicContact CB-CB 4.16Å; Q224-I535 HydrophobicContact CB-CD1 4.32Å; Q224-I535 HydrophobicContact CB-CG1 4.43Å; Q224-I535 PolarHBondContact N-O 3.14Å; Q224-I535 VanDerWaalsContact N-O 3.13Å; Q224-I535 PolarHBondContact O-N 3.38Å; L226-I535 HydrophobicContact CD1-CD1 4.13Å; L226-I535 HydrophobicContact CD1-CG1 4.27Å; L226-I535 HydrophobicContact CD2-CD1 4.22Å; L226-I535 HydrophobicContact CG-CD1 4.33Å; L226-I535 HydrophobicContact CG-CG1 4.37Å; F266-I535 HydrophobicContact CB-CD1 4.16Å; F266-I535 HydrophobicContact CD2-CD1 3.37Å; F266-I535 HydrophobicContact CD2-CG2 4.43Å; F266-I535 HydrophobicContact CE2-CD1 3.93Å; F266-I535 HydrophobicContact CE2-CG2 4.09Å; F266-I535 HydrophobicContact CG-CD1 3.91Å; F523-I535 HydrophobicContact CB-CG2 4.09Å; F523-I535 HydrophobicContact CD1-CG2 4.11Å; F523-I535 HydrophobicContact CG-CG2 4.42Å; L525-I535 HydrophobicContact CD2-CD1 3.84Å; L525-I535 HydrophobicContact CD2-CG1 3.87Å; L525-I535 HydrophobicContact CD2-CG2 4.09Å
536	Y	98.1	Very high	92	Very high	12 Å²	12	49 Å²	49	5%	0.047	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	145.5	173.4	-60.9	-96.1	0	0	0	109.5	F220 A221 P222 L505 I507 F523 L524 A526 Q534	F220-Y536 HydrophobicContact CB-CD1 4.38Å; F220-Y536 HydrophobicContact CB-CG 4.4Å; A221-Y536 CarbonylContact O-C 3.51Å; A221-Y536 WeakPolarHBondContact O-CA 3.44Å; P222-Y536 HydrophobicContact CB-CD1 4.43Å; P222-Y536 HydrophobicContact CB-CE1 4.34Å; P222-Y536 HydrophobicContact CG-CD1 4.25Å; P222-Y536 HydrophobicContact CG-CE1 4Å; L505-Y536 HydrophobicContact CD1-CE2 4.32Å; L505-Y536 HydrophobicContact CD2-CD1 4.16Å; L505-Y536 HydrophobicContact CD2-CE1 3.83Å; I507-Y536 HydrophobicContact CD1-CE2 3.95Å; I507-Y536 HydrophobicContact CG1-CE2 4.17Å; I507-Y536 VanDerWaalsContact CG1-OH 3.32Å; I507-Y536 WeakPolarHBondContact CG1-OH 3.47Å; F523-Y536 CarbonylContact C-O 3.51Å; F523-Y536 WeakPolarHBondContact CA-O 3.46Å; F523-Y536 WeakPolarHBondContact CB-O 3.41Å; L524-Y536 PolarHBondContact N-O 3.12Å; L524-Y536 PolarHBondContact O-N 2.84Å; A526-Y536 HydrophobicContact CB-CD2 4.38Å; A526-Y536 HydrophobicContact CB-CE2 4.04Å; Q534-Y536 HydrophobicContact CB-CD2 4.31Å; Q534-Y536 HydrophobicContact CB-CE2 3.59Å; Q534-Y536 HydrophobicContact CG-CE2 4.42Å
537	E	97.4	Very high	91.7	Very high	32 Å²	32	51.5 Å²	51.5	15%	0.15	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	133.4	168.7	-175.2	168.5	-158.5	0	0	109.1	F220 A221 Y223 R521 F523 L539	F220-E537 CarbonylContact C-O 3.6Å; F220-E537 WeakPolarHBondContact CA-O 3.4Å; A221-E537 PolarHBondContact N-O 3.44Å; A221-E537 PolarHBondContact O-N 2.6Å; Y223-E537 HydrophobicContact CD2-CB 3.99Å; Y223-E537 WeakPolarHBondContact CD2-OE2 3.4Å; Y223-E537 WeakPolarHBondContact CE2-OE2 3.45Å; Y223-E537 HydrophobicContact CG-CB 4.3Å; R521-E537 IonicContact CZ-OE1 3.61Å; R521-E537 VanDerWaalsContact CZ-OE1 3.23Å; R521-E537 IonicContact CZ-OE2 3.5Å; R521-E537 IonicContact NE-OE1 3.68Å; R521-E537 PolarHBondContact NE-OE1 2.81Å; R521-E537 IonicContact NH2-OE1 2.91Å; R521-E537 PolarHBondContact NH2-OE1 2.84Å; R521-E537 IonicContact NH2-OE2 2.7Å; R521-E537 PolarHBondContact NH2-OE2 3.29Å; F523-E537 HydrophobicContact CD1-CB 3.96Å; F523-E537 HydrophobicContact CD1-CG 4.2Å; F523-E537 HydrophobicContact CE1-CB 3.98Å; F523-E537 HydrophobicContact CE1-CG 3.95Å; E537-L539 HydrophobicContact CG-CD2 3.74Å; E537-L539 HydrophobicContact CG-CG 4.3Å
538	H	97.3	Very high	91.3	Very high	18 Å²	18	54.4 Å²	54.4	8%	0.083	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	112.1	173.6	178.4	-97	0	0	0	109	T218 E219 F220 V472 Y477 Q522	T218-H538 VanDerWaalsContact CB-NE2 3.33Å; T218-H538 WeakPolarHBondContact CB-NE2 3.33Å; T218-H538 VanDerWaalsContact CG2-CE1 3.46Å; T218-H538 WeakPolarHBondContact CG2-CE1 3.12Å; T218-H538 WeakPolarHBondContact CG2-NE2 3.2Å; E219-H538 WeakPolarHBondContact O-CA 3.34Å; F220-H538 HydrophobicContact CD1-CB 4.14Å; F220-H538 HydrophobicContact CE1-CB 3.95Å; F220-H538 AromaticContact CE1-CD2 3.64Å; F220-H538 AromaticContact CZ-CD2 3.59Å; V472-H538 HydrophobicContact CG1-CB 4.09Å; V472-H538 WeakPolarHBondContact CG1-ND1 3.3Å; Y477-H538 AromaticContact CE2-NE2 3.72Å; Y477-H538 AromaticContact CZ-NE2 3.67Å; Y477-H538 PolarHBondContact OH-NE2 3.02Å; Q522-H538 HydrophobicContact CB-CB 3.89Å; Q522-H538 PolarHBondContact O-N 3.13Å
539	L	95	Very high	90.9	Very high	67 Å²	67	57.5 Å²	57.5	35%	0.351	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	139.7	-178.2	-60.7	178.4	0	0	0	109.8	T218 E219 A221 E537	T218-L539 CarbonylContact C-O 3.58Å; T218-L539 WeakPolarHBondContact CA-O 3.48Å; T218-L539 WeakPolarHBondContact CB-O 3.39Å; E219-L539 PolarHBondContact N-O 3.1Å; E219-L539 PolarHBondContact O-N 2.89Å; A221-L539 HydrophobicContact CB-CD1 3.67Å; A221-L539 HydrophobicContact CB-CG 4.31Å; E537-L539 HydrophobicContact CG-CD2 3.74Å; E537-L539 HydrophobicContact CG-CG 4.3Å
540	V	91.5	Very high	90.5	Very high	98 Å²	98	57.6 Å²	57.6	59%	0.594	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.2	124.2	169.4	-178.4	0	0	0	0	108.1	I216 T218	I216-V540 HydrophobicContact CG2-CG1 3.41Å; I216-V540 VanDerWaalsContact CG2-CG1 3.41Å; T218-V540 HydrophobicContact CG2-CG2 4.32Å
541	I	89.2	Confident	90.2	Very high	53 Å²	53	51.6 Å²	51.6	27%	0.272	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	127.2	-175	-56.3	174.8	0	0	0	108.9	T217 E219 L543	T217-I541 HydrophobicContact CG2-CB 3.98Å; T217-I541 HydrophobicContact CG2-CG2 4.49Å; T217-I541 PolarHBondContact N-O 3.31Å; T217-I541 PolarHBondContact O-N 3.47Å; E219-I541 HydrophobicContact CB-CD1 3.61Å; E219-I541 WeakPolarHBondContact OE2-CD1 3.1Å; I541-L543 HydrophobicContact CG2-CD2 4.01Å
542	D	85.8	Confident	89.8	Confident	75 Å²	75	54.8 Å²	54.8	40%	0.401	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	110.1	170	-173	-8.2	0	0	0	109.9	S544	D542-S544 PolarHBondContact O-N 3.34Å; D542-S544 WeakPolarHBondContact OD1-CB 3.21Å; D542-S544 PolarHBondContact OD1-N 3.34Å; D542-S544 PolarHBondContact OD1-OG 2.86Å; D542-S544 PolarHBondContact OD2-OG 2.81Å
543	L	82.2	Confident	89.4	Confident	82 Å²	82	49.5 Å²	49.5	43%	0.429	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	1.2	179.9	-61.4	177.4	0	0	0	113.5	C173 C215 T217 I541 N545	C173-L543 HydrophobicContact CB-CB 3.67Å; C173-L543 WeakPolarHBondContact CB-O 3.46Å; C215-L543 HydrophobicContact CB-CB 4.49Å; C215-L543 WeakPolarHBondContact O-CB 3.36Å; C215-L543 PolarHBondContact O-N 3.45Å; T217-L543 HydrophobicContact CG2-CD1 3.79Å; T217-L543 HydrophobicContact CG2-CD2 4.1Å; T217-L543 HydrophobicContact CG2-CG 3.84Å; I541-L543 HydrophobicContact CG2-CD2 4.01Å; L543-N545 VanDerWaalsContact C-N 3.26Å; L543-N545 PolarHBondContact O-N 3.25Å
544	S	72.3	Confident	88.7	Confident	18 Å²	18	53.7 Å²	53.7	13%	0.126	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	0.8	178.8	72.5	0	0	0	0	114.3	K150 D542	K150-S544 PolarHBondContact NZ-O 2.89Å; D542-S544 PolarHBondContact O-N 3.34Å; D542-S544 WeakPolarHBondContact OD1-CB 3.21Å; D542-S544 PolarHBondContact OD1-N 3.34Å; D542-S544 PolarHBondContact OD1-OG 2.86Å; D542-S544 PolarHBondContact OD2-OG 2.81Å
545	N	60	Low	87.9	Confident	156 Å²	156	55.5 Å²	55.5	83%	0.834	30%	0.299	S	S	*	.			trans	-96.8	0	-178.2	-78.3	-28	0	0	0	113.9	K150 L543	K150-N545 PolarHBondContact NZ-OD1 2.91Å; L543-N545 VanDerWaalsContact C-N 3.26Å; L543-N545 PolarHBondContact O-N 3.25Å

Retrieved 545 of 545 residues in 2434.8 ms (Link to these results)

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