A0A087XP90_POEFO Loading...

Serpin peptidase inhibitor, clade G (C1 inhibitor), member 1

AlphaFold DB , UniProt , Accession A0A087XP90, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 599 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.2	Very low	32.7	Very low	248 Å²	248	159.2 Å²	159.2	100%	1.222	84%	0.841	S	S	*	*				0	162.5	0	-87.6	172.6	161.7	0	0	109.3
2	K	34.1	Very low	32.4	Very low	202 Å²	202	165 Å²	165	88%	0.878	84%	0.843	S	S	*	*			trans	-50.2	142	-164.5	-64	172.2	176.2	178.2	0	115.3
3	H	33.3	Very low	32.3	Very low	187 Å²	187	162.7 Å²	162.7	87%	0.866	83%	0.833	S	S	*	*			trans	-68	146.9	155.8	-69.9	-24.7	0	0	0	110.7
4	Q	33.4	Very low	32.1	Very low	191 Å²	191	159.9 Å²	159.9	89%	0.893	83%	0.828	S	S	*	*			trans	-152.4	127.1	149.7	-121.9	167.9	-21.7	0	0	109.4
5	A	34	Very low	32.1	Very low	99 Å²	99	161.1 Å²	161.1	82%	0.818	82%	0.824	S	S	*	*			trans	-93.6	151.1	-178.1	0	0	0	0	0	111
6	I	32.5	Very low	32.3	Very low	159 Å²	159	163 Å²	163	82%	0.815	83%	0.829	S	S	*	*			trans	-132.9	105.2	168.6	-64.2	-174.7	0	0	0	110.2
7	V	31.7	Very low	32.9	Very low	116 Å²	116	160.2 Å²	160.2	70%	0.703	82%	0.824	S	S	*	*			trans	47.6	105.7	141	-169.6	0	0	0	0	118.4	L9	V7-L9 HydrophobicContact CG1-CD1 4.37Å; V7-L9 HydrophobicContact CG1-CG 4.3Å
8	C	28.6	Very low	33.8	Very low	119 Å²	119	155.6 Å²	155.6	80%	0.804	81%	0.813	S	S	*	*			trans	-89.8	123.4	157.6	-165.3	0	0	0	0	109.2
9	L	31.5	Very low	35	Very low	148 Å²	148	151.5 Å²	151.5	78%	0.775	80%	0.797	S	S	*	*			trans	-103.3	98.9	178.9	-111.5	155.2	0	0	0	109.1	V7	V7-L9 HydrophobicContact CG1-CD1 4.37Å; V7-L9 HydrophobicContact CG1-CG 4.3Å
10	L	32.2	Very low	36.3	Very low	140 Å²	140	147.9 Å²	147.9	73%	0.733	78%	0.784	S	S	*	*			trans	-93.7	104.2	172.7	-84.4	161.8	0	0	0	109.7	W12	L10-W12 PolarHBondContact O-N 3.5Å
11	L	31	Very low	38.1	Very low	142 Å²	142	145.4 Å²	145.4	74%	0.743	77%	0.769	S	S	*	*			trans	-67.4	119.1	164	-90.8	96.2	0	0	0	109.3	L13	L11-L13 PolarHBondContact O-N 3.37Å
12	W	29.2	Very low	40	Very low	229 Å²	229	143.9 Å²	143.9	87%	0.867	75%	0.75	S	S	*	*			trans	-80.9	98.1	165.2	-83.5	51.1	0	0	0	109.4	L10	L10-W12 PolarHBondContact O-N 3.5Å
13	L	30.9	Very low	42	Very low	135 Å²	135	136.5 Å²	136.5	71%	0.707	72%	0.72	S	S	*	*			trans	-93.3	101.5	163.2	-83.7	162.6	0	0	0	108.3	L11 F15	L11-L13 PolarHBondContact O-N 3.37Å; L13-F15 VanDerWaalsContact C-N 3.33Å; L13-F15 PolarHBondContact O-N 3.38Å
14	T	30.5	Very low	44	Very low	124 Å²	124	134.6 Å²	134.6	76%	0.761	71%	0.711	S	S	*	*			trans	-76.5	85.2	171.7	51.3	0	0	0	0	109.9
15	F	32.1	Very low	45.7	Very low	177 Å²	177	126.5 Å²	126.5	78%	0.776	68%	0.675	S	S	*	*			trans	-87.8	116.7	157.4	-93.9	-97.6	0	0	0	108.1	L13 P17	L13-F15 VanDerWaalsContact C-N 3.33Å; L13-F15 PolarHBondContact O-N 3.38Å; F15-P17 VanDerWaalsContact O-CD 3.25Å; F15-P17 WeakPolarHBondContact O-CD 3.36Å
16	E	35.3	Very low	47.4	Very low	192 Å²	192	123.6 Å²	123.6	90%	0.897	65%	0.649	S	S	*	*			trans	-74.3	114	162.8	-73.1	-178.4	136	0	0	108.5	A18	E16-A18 PolarHBondContact O-N 3.37Å
17	P	41.8	Very low	49.2	Very low	115 Å²	115	122.5 Å²	122.5	75%	0.747	64%	0.64	S	S	*	*			trans	-88.3	108.8	173.3	13.2	6.1	0	0	0	108.1	F15	F15-P17 VanDerWaalsContact O-CD 3.25Å; F15-P17 WeakPolarHBondContact O-CD 3.36Å
18	A	49.7	Very low	50.7	Low	77 Å²	77	119.1 Å²	119.1	64%	0.636	63%	0.629	S	S	*	*			trans	-58.3	125.1	164.4	0	0	0	0	0	108.6	E16 C20	E16-A18 PolarHBondContact O-N 3.37Å; A18-C20 PolarHBondContact O-N 3.5Å
19	P	55.4	Low	52.5	Low	78 Å²	78	115.3 Å²	115.3	51%	0.506	60%	0.603	S	S	.	*			trans	-72.5	107.1	-175.1	27.7	-33.3	0	0	0	110.2	M21	P19-M21 PolarHBondContact O-N 3.24Å
20	C	61.7	Low	54.3	Low	80 Å²	80	114.3 Å²	114.3	54%	0.541	60%	0.596	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-79.6	104.5	164.3	-177.4	0	0	0	0	108.5	A18 T102	A18-C20 PolarHBondContact O-N 3.5Å; C20-T102 WeakPolarHBondContact CA-O 3.38Å
21	M	73.5	Confident	56.5	Low	95 Å²	95	108.4 Å²	108.4	47%	0.468	57%	0.566	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-87.6	122.6	178.9	-76.1	-176.3	147.2	0	0	110.1	P19 T102 Y103 S104	P19-M21 PolarHBondContact O-N 3.24Å; M21-T102 PolarHBondContact N-O 3.46Å; M21-Y103 HydrophobicContact CB-CD1 3.67Å; M21-Y103 HydrophobicContact CB-CE1 3.78Å; M21-Y103 HydrophobicContact CG-CE1 4.22Å; M21-Y103 CarbonylContact O-C 3.58Å; M21-Y103 VanDerWaalsContact O-CA 3.29Å; M21-Y103 WeakPolarHBondContact O-CA 3.45Å; M21-Y103 HydrophobicContact SD-CD1 4.37Å; M21-Y103 HydrophobicContact SD-CE1 3.49Å; M21-Y103 WeakPolarHBondContact SD-CE1 3.5Å; M21-S104 PolarHBondContact O-N 3.11Å
22	R	77.8	Confident	58.8	Low	217 Å²	217	106.9 Å²	106.9	82%	0.819	56%	0.555	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-92.4	129.9	171.1	-66.7	-176.4	-178.2	172.9	0.7	109.8	S104	R22-S104 WeakPolarHBondContact CA-O 3.46Å
23	I	75.6	Confident	61.3	Low	47 Å²	47	96 Å²	96	24%	0.241	51%	0.514	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	126.5	177.2	-63	173.2	0	0	0	107.2	V31 L33 Y103 S104 L105 T106	I23-V31 HydrophobicContact CG2-CG1 4.49Å; I23-L33 HydrophobicContact CD1-CD2 3.35Å; I23-Y103 HydrophobicContact CD1-CD1 3.54Å; I23-Y103 HydrophobicContact CD1-CE1 4.11Å; I23-Y103 HydrophobicContact CD1-CG 4.45Å; I23-Y103 HydrophobicContact CG1-CD1 4.38Å; I23-S104 PolarHBondContact N-O 2.92Å; I23-L105 HydrophobicContact CB-CD1 3.97Å; I23-L105 HydrophobicContact CG2-CD1 3.63Å; I23-L105 WeakPolarHBondContact O-CA 3.3Å; I23-T106 PolarHBondContact O-N 2.99Å
24	Q	74.8	Confident	63.7	Low	147 Å²	147	91.3 Å²	91.3	69%	0.687	49%	0.492	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.8	132.7	174	-175.7	176.4	-21.1	0	0	108.3	T106 A108	Q24-T106 WeakPolarHBondContact CA-O 3.46Å; Q24-A108 HydrophobicContact CG-CB 4.39Å
25	T	69.9	Low	65.7	Low	21 Å²	21	85.6 Å²	85.6	13%	0.129	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	159.3	-176.6	-166	0	0	0	0	111.6	S29 V31 V80 L105 T106 V107 A108	T25-S29 WeakPolarHBondContact OG1-CB 3.36Å; T25-V31 HydrophobicContact CG2-CG2 3.97Å; T25-V80 HydrophobicContact CG2-CB 4.24Å; T25-V80 HydrophobicContact CG2-CG1 3.64Å; T25-V80 HydrophobicContact CG2-CG2 4.23Å; T25-L105 HydrophobicContact CG2-CD1 3.81Å; T25-T106 PolarHBondContact N-O 2.85Å; T25-T106 VanDerWaalsContact N-O 3.11Å; T25-V107 HydrophobicContact CG2-CG2 4.49Å; T25-V107 WeakPolarHBondContact O-CA 3.43Å; T25-A108 PolarHBondContact O-N 3Å
26	S	70.1	Confident	67.3	Low	38 Å²	38	80.1 Å²	80.1	27%	0.266	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	153.6	176.3	55.5	0	0	0	0	112	G28 S29	S26-G28 PolarHBondContact O-N 3.18Å; S26-S29 VanDerWaalsContact O-CB 3.3Å; S26-S29 WeakPolarHBondContact O-CB 3.44Å; S26-S29 PolarHBondContact O-N 2.96Å; S26-S29 PolarHBondContact O-OG 2.91Å; S26-S29 PolarHBondContact OG-OG 3.48Å
27	Q	70.4	Confident	68.1	Low	135 Å²	135	77.3 Å²	77.3	63%	0.631	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	134.3	175.8	-176.3	173.6	-3.1	0	0	111.4	V107	Q27-V107 HydrophobicContact CB-CG1 4.32Å
28	G	62.2	Low	68.7	Low	46 Å²	46	73.6 Å²	73.6	47%	0.474	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	90	-12	-177.6	0	0	0	0	0	114.9	S26 V80	S26-G28 PolarHBondContact O-N 3.18Å; G28-V80 PolarHBondContact N-O 2.79Å
29	S	66.4	Low	68.8	Low	38 Å²	38	74.9 Å²	74.9	27%	0.266	40%	0.397	S	S	.	.			trans	-64.8	161.1	176.6	-73.6	0	0	0	0	113.1	T25 S26 S79 V80	T25-S29 WeakPolarHBondContact OG1-CB 3.36Å; S26-S29 VanDerWaalsContact O-CB 3.3Å; S26-S29 WeakPolarHBondContact O-CB 3.44Å; S26-S29 PolarHBondContact O-N 2.96Å; S26-S29 PolarHBondContact O-OG 2.91Å; S26-S29 PolarHBondContact OG-OG 3.48Å; S29-S79 WeakPolarHBondContact O-CA 3.43Å; S29-S79 PolarHBondContact O-N 2.81Å; S29-V80 WeakPolarHBondContact O-CG2 3.38Å; S29-V80 PolarHBondContact O-N 2.87Å
30	M	70	Confident	68.6	Low	128 Å²	128	75.9 Å²	75.9	63%	0.631	41%	0.406	S	S	*	.			trans	-100.6	134.8	166.9	-177.7	177.8	-73.6	0	0	109.1	I77	M30-I77 WeakPolarHBondContact CA-O 3.24Å
31	V	77.6	Confident	68.3	Low	16 Å²	16	76.4 Å²	76.4	10%	0.097	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	131.7	179.1	173.2	0	0	0	0	109.6	I23 T25 L33 I77 V80 L105	I23-V31 HydrophobicContact CG2-CG1 4.49Å; T25-V31 HydrophobicContact CG2-CG2 3.97Å; V31-L33 HydrophobicContact CG1-CD2 3.71Å; V31-L33 HydrophobicContact CG1-CG 4.26Å; V31-I77 PolarHBondContact N-O 3.04Å; V31-I77 VanDerWaalsContact N-O 3.12Å; V31-I77 PolarHBondContact O-N 3.21Å; V31-V80 HydrophobicContact CB-CG2 4.27Å; V31-V80 HydrophobicContact CG2-CG2 3.96Å; V31-L105 HydrophobicContact CG1-CD1 4.44Å
32	E	79.8	Confident	67.8	Low	110 Å²	110	73.7 Å²	73.7	51%	0.514	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	125.2	174.6	-54.1	-154.3	128.4	0	0	110.3	P34 V75 S76	E32-P34 WeakPolarHBondContact O-CD 3.41Å; E32-V75 WeakPolarHBondContact CA-O 3.45Å; E32-S76 VanDerWaalsContact OE1-CB 3.31Å; E32-S76 WeakPolarHBondContact OE1-CB 3.45Å; E32-S76 PolarHBondContact OE1-OG 3.43Å
33	L	82.3	Confident	66.8	Low	0 Å²	0	68.2 Å²	68.2	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	107	-178.5	-57	-177.1	0	0	0	109.1	I23 V31 W49 Y74 V75 I77 Y88 Y103	I23-L33 HydrophobicContact CD1-CD2 3.35Å; V31-L33 HydrophobicContact CG1-CD2 3.71Å; V31-L33 HydrophobicContact CG1-CG 4.26Å; L33-W49 HydrophobicContact CB-CH2 3.76Å; L33-W49 HydrophobicContact CB-CZ3 4.2Å; L33-W49 WeakPolarHBondContact O-CH2 3.37Å; L33-W49 WeakPolarHBondContact O-CZ2 3.44Å; L33-Y74 WeakPolarHBondContact O-CA 3.48Å; L33-V75 PolarHBondContact N-O 3.1Å; L33-V75 PolarHBondContact O-N 2.85Å; L33-I77 HydrophobicContact CD1-CD1 4.34Å; L33-Y88 HydrophobicContact CD1-CD1 4.02Å; L33-Y88 HydrophobicContact CD1-CD2 3.94Å; L33-Y88 HydrophobicContact CD1-CG 3.61Å; L33-Y103 HydrophobicContact CB-CD2 4.38Å; L33-Y103 HydrophobicContact CD1-CG 4.42Å; L33-Y103 HydrophobicContact CD2-CD1 4.12Å; L33-Y103 HydrophobicContact CD2-CG 4.16Å
34	P	80.6	Confident	66.3	Low	37 Å²	37	74 Å²	74	24%	0.24	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	151	172.8	20.5	-27.2	0	0	0	112.4	E32 Y36 Y74 Y103	E32-P34 WeakPolarHBondContact O-CD 3.41Å; P34-Y36 WeakPolarHBondContact CB-O 3.4Å; P34-Y74 HydrophobicContact CB-CD1 3.89Å; P34-Y74 HydrophobicContact CB-CE1 3.53Å; P34-Y74 HydrophobicContact CG-CE1 4.47Å; P34-Y103 WeakPolarHBondContact O-CE2 2.99Å; P34-Y103 PolarHBondContact O-OH 2.99Å
35	C	72.1	Confident	66.1	Low	3 Å²	3	67.9 Å²	67.9	2%	0.02	39%	0.389	C	S	.	.	S	Bend	trans	-105.6	98.5	155.7	-163.4	0	0	0	0	107.9	I47 W49 F73 C90	C35-I47 HydrophobicContact CB-CG2 4.49Å; C35-W49 HydrophobicContact CB-CZ2 3.72Å; C35-F73 WeakPolarHBondContact CB-O 3.48Å; C35-F73 PolarHBondContact N-O 3.12Å; C35-C90 HydrophobicContact CB-CB 3.83Å; C35-C90 WeakPolarHBondContact CB-SG 3.07Å; C35-C90 WeakPolarHBondContact SG-CB 3.05Å; C35-C90 CovalentContact SG-SG 2.02Å; C35-C90 PolarHBondContact SG-SG 3.48Å
36	Y	67.1	Low	66.4	Low	62 Å²	62	74.4 Å²	74.4	24%	0.243	42%	0.415	C	S	.	.	S	Bend	trans	71.1	160.8	-170.7	-54.2	-77.2	0	0	0	115.1	P34 A92 A99 T100 T101	P34-Y36 WeakPolarHBondContact CB-O 3.4Å; Y36-A92 HydrophobicContact CD2-CB 4.49Å; Y36-A92 HydrophobicContact CE2-CB 3.85Å; Y36-A99 HydrophobicContact CE1-CB 4.25Å; Y36-A99 HydrophobicContact CE2-CB 4.45Å; Y36-A99 WeakPolarHBondContact OH-CB 3.36Å; Y36-T100 PolarHBondContact OH-N 3.39Å; Y36-T100 VanDerWaalsContact OH-N 3.13Å; Y36-T101 VanDerWaalsContact CZ-OG1 3.31Å; Y36-T101 PolarHBondContact OH-OG1 3.26Å; Y36-T101 VanDerWaalsContact OH-OG1 3.1Å
37	T	51.8	Low	66.9	Low	134 Å²	134	74 Å²	74	82%	0.822	41%	0.41	S	S	*	.	S	Bend	trans	-86.5	-11.1	-164.8	39.4	0	0	0	0	114.9
38	S	53.8	Low	67.4	Low	36 Å²	36	70.6 Å²	70.6	25%	0.252	40%	0.398	S	S	.	.			trans	-150	152.2	173.7	82.2	0	0	0	0	113.2	S40 D41	S38-S40 WeakPolarHBondContact CB-OG 3.36Å; S38-S40 PolarHBondContact O-N 3.42Å; S38-S40 PolarHBondContact OG-N 3.18Å; S38-S40 PolarHBondContact OG-OG 2.92Å; S38-D41 WeakPolarHBondContact CB-OD2 3.34Å; S38-D41 PolarHBondContact N-OD2 3.07Å; S38-D41 PolarHBondContact OG-OD1 3.49Å; S38-D41 PolarHBondContact OG-OD2 3.32Å
39	E	51.6	Low	68.3	Low	105 Å²	105	68.6 Å²	68.6	49%	0.491	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-12.5	171.7	-69	-175.1	139.8	0	0	112.9	K70	E39-K70 VanDerWaalsContact CD-NZ 3.25Å; E39-K70 WeakPolarHBondContact OE1-CD 3.3Å; E39-K70 WeakPolarHBondContact OE1-CE 3.37Å; E39-K70 IonicContact OE1-NZ 2.68Å; E39-K70 PolarHBondContact OE1-NZ 2.78Å; E39-K70 IonicContact OE2-NZ 3.07Å; E39-K70 PolarHBondContact OE2-NZ 3.04Å
40	S	51.3	Low	69	Low	98 Å²	98	68.4 Å²	68.4	69%	0.685	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-11.7	-175.7	30.9	0	0	0	0	115.3	S38	S38-S40 WeakPolarHBondContact CB-OG 3.36Å; S38-S40 PolarHBondContact O-N 3.42Å; S38-S40 PolarHBondContact OG-N 3.18Å; S38-S40 PolarHBondContact OG-OG 2.92Å
41	D	56.7	Low	69.7	Low	92 Å²	92	64.9 Å²	64.9	49%	0.492	36%	0.355	S	S	.	.	S	Bend	trans	-79.4	-29	-165.9	-67.3	-46.1	0	0	0	114.3	S38	S38-D41 WeakPolarHBondContact CB-OD2 3.34Å; S38-D41 PolarHBondContact N-OD2 3.07Å; S38-D41 PolarHBondContact OG-OD1 3.49Å; S38-D41 PolarHBondContact OG-OD2 3.32Å
42	I	61.3	Low	69.8	Low	37 Å²	37	68.8 Å²	68.8	19%	0.19	38%	0.375	C	S	.	.			trans	-147.5	100.5	178.5	-41.4	176.8	0	0	0	111.5	A45 W94	I42-A45 HydrophobicContact CB-CB 4.17Å; I42-A45 HydrophobicContact CG2-CB 3.84Å; I42-W94 HydrophobicContact CD1-CD2 4.19Å; I42-W94 HydrophobicContact CD1-CE3 3.71Å; I42-W94 HydrophobicContact CD1-CH2 3.89Å; I42-W94 HydrophobicContact CD1-CZ2 4.35Å; I42-W94 HydrophobicContact CD1-CZ3 3.55Å; I42-W94 HydrophobicContact CG2-CB 3.96Å; I42-W94 HydrophobicContact CG2-CD2 3.96Å; I42-W94 HydrophobicContact CG2-CE3 4.25Å; I42-W94 HydrophobicContact CG2-CG 3.83Å
43	P	58.4	Low	69.5	Low	103 Å²	103	66.5 Å²	66.5	67%	0.669	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	144.4	168.4	27.3	-32.4	0	0	0	111.1	A45	P43-A45 VanDerWaalsContact C-N 3.3Å; P43-A45 PolarHBondContact O-N 2.88Å
44	D	65.3	Low	69.1	Low	167 Å²	167	73 Å²	73	89%	0.893	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.7	18.9	175	-54.7	-42.2	0	0	0	117.5	K46	D44-K46 PolarHBondContact O-N 2.68Å
45	A	69.1	Low	68.8	Low	19 Å²	19	74.7 Å²	74.7	16%	0.157	42%	0.419	C	S	.	.			trans	-67.4	131.2	172.5	0	0	0	0	0	112.8	I42 P43 I47 A92 V93	I42-A45 HydrophobicContact CB-CB 4.17Å; I42-A45 HydrophobicContact CG2-CB 3.84Å; P43-A45 VanDerWaalsContact C-N 3.3Å; P43-A45 PolarHBondContact O-N 2.88Å; A45-I47 PolarHBondContact O-N 3.31Å; A45-A92 HydrophobicContact CB-CB 4.44Å; A45-V93 WeakPolarHBondContact CA-O 3.38Å
46	K	77	Confident	68.8	Low	159 Å²	159	75.3 Å²	75.3	69%	0.691	42%	0.422	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.8	115.9	168.5	-174.4	175.1	-179.9	178.3	0	109.6	D44 V93	D44-K46 PolarHBondContact O-N 2.68Å; K46-V93 PolarHBondContact N-O 3.09Å; K46-V93 PolarHBondContact O-N 3.1Å
47	I	80.2	Confident	68.3	Low	29 Å²	29	76.3 Å²	76.3	15%	0.149	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	135.8	-177.5	-58.8	174.9	0	0	0	110.8	C35 A45 G72 F73 C90 V91 A92	C35-I47 HydrophobicContact CB-CG2 4.49Å; A45-I47 PolarHBondContact O-N 3.31Å; I47-G72 WeakPolarHBondContact CG2-O 3.49Å; I47-F73 HydrophobicContact CD1-CB 4.48Å; I47-F73 HydrophobicContact CD1-CD1 3.55Å; I47-F73 HydrophobicContact CD1-CD2 4.03Å; I47-F73 HydrophobicContact CD1-CE1 3.64Å; I47-F73 HydrophobicContact CD1-CE2 4.1Å; I47-F73 HydrophobicContact CD1-CG 3.76Å; I47-F73 HydrophobicContact CD1-CZ 3.91Å; I47-C90 WeakPolarHBondContact CG2-SG 3.38Å; I47-V91 WeakPolarHBondContact CA-O 3.11Å; I47-A92 HydrophobicContact CG1-CB 4.27Å
48	T	80.1	Confident	68.2	Low	64 Å²	64	75.9 Å²	75.9	39%	0.393	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	138.9	172.2	54.3	0	0	0	0	110.3	V91	T48-V91 PolarHBondContact N-O 2.76Å; T48-V91 PolarHBondContact O-N 2.82Å; T48-V91 PolarHBondContact OG1-O 3.06Å
49	W	82.4	Confident	67.7	Low	4 Å²	4	78.7 Å²	78.7	2%	0.015	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	140.4	175.7	-73.2	84.6	0	0	0	112.5	L33 C35 I56 H68 G72 V75 V89 C90 Y103	L33-W49 HydrophobicContact CB-CH2 3.76Å; L33-W49 HydrophobicContact CB-CZ3 4.2Å; L33-W49 WeakPolarHBondContact O-CH2 3.37Å; L33-W49 WeakPolarHBondContact O-CZ2 3.44Å; C35-W49 HydrophobicContact CB-CZ2 3.72Å; W49-I56 HydrophobicContact CB-CD1 3.83Å; W49-I56 HydrophobicContact CB-CG1 4.25Å; W49-I56 PolarHBondContact O-N 2.94Å; W49-H68 AromaticContact CD1-CE1 3.72Å; W49-H68 AromaticContact CD1-ND1 3.97Å; W49-G72 PolarHBondContact NE1-O 2.95Å; W49-V75 HydrophobicContact CB-CG2 4.18Å; W49-V75 HydrophobicContact CD2-CB 4.48Å; W49-V75 HydrophobicContact CD2-CG2 3.49Å; W49-V75 VanDerWaalsContact CD2-CG2 3.49Å; W49-V75 HydrophobicContact CE3-CG2 3.99Å; W49-V75 HydrophobicContact CG-CG2 3.61Å; W49-V75 HydrophobicContact CZ2-CG2 4.18Å; W49-V89 WeakPolarHBondContact CA-O 3.44Å; W49-C90 HydrophobicContact CD2-CB 3.75Å; W49-C90 HydrophobicContact CE3-CB 3.8Å; W49-C90 HydrophobicContact CH2-CB 3.81Å; W49-C90 HydrophobicContact CZ2-CB 3.75Å; W49-C90 HydrophobicContact CZ3-CB 3.83Å; W49-Y103 HydrophobicContact CH2-CD2 4.05Å; W49-Y103 AromaticContact CH2-CE2 3.93Å; W49-Y103 HydrophobicContact CH2-CE2 3.93Å; W49-Y103 AromaticContact CZ3-CD2 3.98Å; W49-Y103 HydrophobicContact CZ3-CD2 3.98Å; W49-Y103 HydrophobicContact CZ3-CE2 4.31Å
50	T	81.8	Confident	67.1	Low	34 Å²	34	78 Å²	78	21%	0.209	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	145.4	168.5	61.8	0	0	0	0	111.9	Q54 Y88 V89	T50-Q54 CarbonylContact C-O 3.57Å; T50-Q54 WeakPolarHBondContact CA-O 3.47Å; T50-Q54 WeakPolarHBondContact CB-O 3.31Å; T50-Y88 CarbonylContact O-C 3.59Å; T50-Y88 WeakPolarHBondContact O-CA 3.36Å; T50-V89 PolarHBondContact N-O 2.86Å; T50-V89 PolarHBondContact O-N 2.02Å
51	F	82.8	Confident	66.7	Low	54 Å²	54	81.1 Å²	81.1	24%	0.237	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	122.5	166.9	172.1	-118.1	0	0	0	108.5	G53 Q54 I56 E85 E87 Y88	F51-G53 PolarHBondContact O-N 3.05Å; F51-Q54 PolarHBondContact N-O 3Å; F51-Q54 PolarHBondContact O-N 3.41Å; F51-I56 HydrophobicContact CB-CD1 4.15Å; F51-I56 HydrophobicContact CB-CG1 4.03Å; F51-E85 WeakPolarHBondContact CZ-O 3.43Å; F51-E87 CarbonylContact C-O 3.57Å; F51-E87 WeakPolarHBondContact CA-O 3.34Å; F51-Y88 HydrophobicContact CB-CD1 4.12Å; F51-Y88 HydrophobicContact CB-CE1 4.03Å; F51-Y88 AromaticContact CD2-CD1 3.84Å; F51-Y88 HydrophobicContact CD2-CD1 3.84Å; F51-Y88 AromaticContact CD2-CD2 3.87Å; F51-Y88 HydrophobicContact CD2-CD2 3.87Å; F51-Y88 AromaticContact CD2-CE1 3.46Å; F51-Y88 HydrophobicContact CD2-CE1 3.46Å; F51-Y88 VanDerWaalsContact CD2-CE1 3.46Å; F51-Y88 AromaticContact CD2-CE2 3.5Å; F51-Y88 HydrophobicContact CD2-CE2 3.5Å; F51-Y88 VanDerWaalsContact CD2-CE2 3.5Å; F51-Y88 HydrophobicContact CD2-CG 4.02Å; F51-Y88 AromaticContact CD2-CZ 3.27Å; F51-Y88 HydrophobicContact CE2-CD2 4.2Å; F51-Y88 HydrophobicContact CE2-CE1 4.12Å; F51-Y88 AromaticContact CE2-CE2 3.49Å; F51-Y88 HydrophobicContact CE2-CE2 3.49Å; F51-Y88 VanDerWaalsContact CE2-CE2 3.49Å; F51-Y88 AromaticContact CE2-CZ 3.44Å; F51-Y88 VanDerWaalsContact CE2-CZ 3.44Å; F51-Y88 WeakPolarHBondContact CE2-OH 3.46Å; F51-Y88 HydrophobicContact CG-CD1 4.35Å; F51-Y88 AromaticContact CG-CE1 3.92Å; F51-Y88 HydrophobicContact CG-CE1 3.92Å
52	N	79.7	Confident	65.7	Low	97 Å²	97	82 Å²	82	52%	0.519	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.8	35.9	-174.8	-66.1	-31	0	0	0	113.2	G86 E87	N52-G86 WeakPolarHBondContact OD1-CA 3.47Å; N52-E87 PolarHBondContact N-O 3.42Å; N52-E87 PolarHBondContact OD1-N 3.37Å
53	G	73.6	Confident	64.6	Low	63 Å²	63	85.7 Å²	85.7	65%	0.649	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.4	-2.2	-179.4	0	0	0	0	0	116.7	F51	F51-G53 PolarHBondContact O-N 3.05Å
54	Q	75.7	Confident	64.2	Low	135 Å²	135	81.9 Å²	81.9	63%	0.631	49%	0.486	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.6	141.1	175.3	-64	-173.6	-1.8	0	0	111.9	T50 F51 I56	T50-Q54 CarbonylContact C-O 3.57Å; T50-Q54 WeakPolarHBondContact CA-O 3.47Å; T50-Q54 WeakPolarHBondContact CB-O 3.31Å; F51-Q54 PolarHBondContact N-O 3Å; F51-Q54 PolarHBondContact O-N 3.41Å; Q54-I56 PolarHBondContact O-N 2.87Å
55	N	73.9	Confident	63.6	Low	73 Å²	73	76.3 Å²	76.3	39%	0.39	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	129.6	177	-77.8	-20.7	0	0	0	111.7	S57 D58	N55-S57 PolarHBondContact O-N 2.99Å; N55-D58 WeakPolarHBondContact CB-OD2 3.44Å; N55-D58 PolarHBondContact ND2-OD2 3.13Å; N55-D58 PolarHBondContact O-N 2.93Å
56	I	70.8	Confident	63	Low	17 Å²	17	76.7 Å²	76.7	9%	0.087	46%	0.463	C	S	.	.	G	3₁₀ helix	trans	-69.3	-21.9	177.4	-58.3	-176.2	0	0	0	111.5	W49 F51 Q54 D58 A66 V75 Y88	W49-I56 HydrophobicContact CB-CD1 3.83Å; W49-I56 HydrophobicContact CB-CG1 4.25Å; W49-I56 PolarHBondContact O-N 2.94Å; F51-I56 HydrophobicContact CB-CD1 4.15Å; F51-I56 HydrophobicContact CB-CG1 4.03Å; Q54-I56 PolarHBondContact O-N 2.87Å; I56-D58 VanDerWaalsContact C-N 3.29Å; I56-D58 PolarHBondContact O-N 2.85Å; I56-A66 HydrophobicContact CG2-CB 4.15Å; I56-V75 HydrophobicContact CD1-CG1 4.32Å; I56-V75 HydrophobicContact CD1-CG2 4.14Å; I56-Y88 HydrophobicContact CD1-CD1 3.95Å; I56-Y88 HydrophobicContact CD1-CE1 4.31Å
57	S	58	Low	62.3	Low	83 Å²	83	75.2 Å²	75.2	58%	0.58	46%	0.457	S	S	*	.	G	3₁₀ helix	trans	-71.2	-15.7	178.1	52.5	0	0	0	0	115.2	N55	N55-S57 PolarHBondContact O-N 2.99Å
58	D	48.6	Very low	61.3	Low	124 Å²	124	77.6 Å²	77.6	66%	0.663	47%	0.467	S	S	*	.	G	3₁₀ helix	trans	-106	-3.9	-172.9	-64.9	-50.3	0	0	0	113.9	N55 I56 A60	N55-D58 WeakPolarHBondContact CB-OD2 3.44Å; N55-D58 PolarHBondContact ND2-OD2 3.13Å; N55-D58 PolarHBondContact O-N 2.93Å; I56-D58 VanDerWaalsContact C-N 3.29Å; I56-D58 PolarHBondContact O-N 2.85Å; D58-A60 PolarHBondContact O-N 2.88Å
59	T	43.7	Very low	60.2	Low	95 Å²	95	77.8 Å²	77.8	58%	0.583	47%	0.468	S	S	*	.			trans	-102.1	76.8	-176.2	33.3	0	0	0	0	113.5	L61	T59-L61 PolarHBondContact O-N 2.84Å
60	A	39.6	Very low	59	Low	90 Å²	90	83.8 Å²	83.8	74%	0.744	49%	0.494	S	S	*	.			trans	-71.6	124.3	160.4	0	0	0	0	0	110.7	D58	D58-A60 PolarHBondContact O-N 2.88Å
61	L	42.8	Very low	58.1	Low	165 Å²	165	89.9 Å²	89.9	86%	0.864	53%	0.526	S	S	*	.	S	Bend	trans	77.3	81.9	162.5	-59.4	155.1	0	0	0	118.5	T59	T59-L61 PolarHBondContact O-N 2.84Å
62	S	34.6	Very low	57.3	Low	111 Å²	111	87.6 Å²	87.6	78%	0.776	52%	0.518	S	S	*	.	S	Bend	trans	-159.2	156.8	139.6	-86.1	0	0	0	0	110.5
63	P	38.4	Very low	56.9	Low	114 Å²	114	85.3 Å²	85.3	74%	0.74	50%	0.503	S	S	*	.	S	Bend	trans	-77	129.2	-156.7	28.5	-35.2	0	0	0	114.5
64	G	49.7	Very low	57	Low	23 Å²	23	85.4 Å²	85.4	24%	0.237	48%	0.484	C	S	.	.	S	Bend	trans	128.3	48.5	-175.1	0	0	0	0	0	111	A66	G64-A66 PolarHBondContact O-N 2.77Å
65	S	53.5	Low	57.2	Low	49 Å²	49	79 Å²	79	34%	0.343	45%	0.454	S	S	.	.			trans	-69.3	94.7	-159.8	51	0	0	0	0	113.5	K67 S78	S65-K67 PolarHBondContact O-N 2.93Å; S65-S78 PolarHBondContact O-N 2.87Å; S65-S78 PolarHBondContact O-OG 3.04Å; S65-S78 VanDerWaalsContact O-OG 3.05Å; S65-S78 PolarHBondContact OG-OG 2.82Å
66	A	56.5	Low	57.2	Low	28 Å²	28	76.1 Å²	76.1	23%	0.231	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	118.9	156.6	0	0	0	0	0	108.9	I56 G64 V75 S76 I77	I56-A66 HydrophobicContact CG2-CB 4.15Å; G64-A66 PolarHBondContact O-N 2.77Å; A66-V75 HydrophobicContact CB-CG1 3.8Å; A66-S76 CarbonylContact C-O 3.6Å; A66-S76 WeakPolarHBondContact CA-O 3.45Å; A66-I77 HydrophobicContact CB-CG1 4.15Å
67	K	62.3	Low	57.6	Low	128 Å²	128	75.3 Å²	75.3	56%	0.557	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123	138.7	176.7	-68.9	180	-178.3	174.1	0	110	S65 S76	S65-K67 PolarHBondContact O-N 2.93Å; K67-S76 PolarHBondContact N-O 3.35Å; K67-S76 PolarHBondContact O-N 3.21Å
68	H	58.6	Low	57.7	Low	79 Å²	79	73.1 Å²	73.1	37%	0.366	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	133	168	-69.4	-71.6	0	0	0	110.2	W49	W49-H68 AromaticContact CD1-CE1 3.72Å; W49-H68 AromaticContact CD1-ND1 3.97Å
69	V	57.1	Low	58.4	Low	68 Å²	68	70.9 Å²	70.9	41%	0.412	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	143.3	173.1	-172.6	0	0	0	0	108.1	Y74	V69-Y74 PolarHBondContact N-O 2.63Å; V69-Y74 VanDerWaalsContact N-O 3.1Å
70	K	56.4	Low	59.9	Low	129 Å²	129	66.3 Å²	66.3	56%	0.561	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	43.8	82.7	-177.1	-80.8	179	146	-158.3	0	113.9	E39 G72 F73	E39-K70 VanDerWaalsContact CD-NZ 3.25Å; E39-K70 WeakPolarHBondContact OE1-CD 3.3Å; E39-K70 WeakPolarHBondContact OE1-CE 3.37Å; E39-K70 IonicContact OE1-NZ 2.68Å; E39-K70 PolarHBondContact OE1-NZ 2.78Å; E39-K70 IonicContact OE2-NZ 3.07Å; E39-K70 PolarHBondContact OE2-NZ 3.04Å; K70-G72 PolarHBondContact O-N 3.31Å; K70-F73 WeakPolarHBondContact O-CD2 3.15Å; K70-F73 PolarHBondContact O-N 3.29Å; K70-F73 VanDerWaalsContact O-N 3.09Å
71	N	63	Low	61.3	Low	162 Å²	162	63.3 Å²	63.3	87%	0.866	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	51.9	17.7	174.7	-84.8	8.5	0	0	0	117	F73	N71-F73 HydrophobicContact CB-CD2 4.44Å
72	G	67.6	Low	62.5	Low	7 Å²	7	59.1 Å²	59.1	7%	0.072	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	91.2	4.8	178.6	0	0	0	0	0	115	I47 W49 K70 Y74	I47-G72 WeakPolarHBondContact CG2-O 3.49Å; W49-G72 PolarHBondContact NE1-O 2.95Å; K70-G72 PolarHBondContact O-N 3.31Å; G72-Y74 PolarHBondContact O-N 2.81Å
73	F	71.4	Confident	64.1	Low	48 Å²	48	57.3 Å²	57.3	21%	0.211	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-26.1	174.3	-81.1	-87	0	0	0	113.2	C35 I47 K70 N71	C35-F73 WeakPolarHBondContact CB-O 3.48Å; C35-F73 PolarHBondContact N-O 3.12Å; I47-F73 HydrophobicContact CD1-CB 4.48Å; I47-F73 HydrophobicContact CD1-CD1 3.55Å; I47-F73 HydrophobicContact CD1-CD2 4.03Å; I47-F73 HydrophobicContact CD1-CE1 3.64Å; I47-F73 HydrophobicContact CD1-CE2 4.1Å; I47-F73 HydrophobicContact CD1-CG 3.76Å; I47-F73 HydrophobicContact CD1-CZ 3.91Å; K70-F73 WeakPolarHBondContact O-CD2 3.15Å; K70-F73 PolarHBondContact O-N 3.29Å; K70-F73 VanDerWaalsContact O-N 3.09Å; N71-F73 HydrophobicContact CB-CD2 4.44Å
74	Y	74.1	Confident	65.8	Low	65 Å²	65	52 Å²	52	26%	0.255	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	146.4	178	-62	-104.1	0	0	0	111.4	L33 P34 V69 G72	L33-Y74 WeakPolarHBondContact O-CA 3.48Å; P34-Y74 HydrophobicContact CB-CD1 3.89Å; P34-Y74 HydrophobicContact CB-CE1 3.53Å; P34-Y74 HydrophobicContact CG-CE1 4.47Å; V69-Y74 PolarHBondContact N-O 2.63Å; V69-Y74 VanDerWaalsContact N-O 3.1Å; G72-Y74 PolarHBondContact O-N 2.81Å
75	V	79.6	Confident	67.1	Low	0 Å²	0	55.1 Å²	55.1	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	118.7	164.1	170.4	0	0	0	0	108.5	E32 L33 W49 I56 A66 I77	E32-V75 WeakPolarHBondContact CA-O 3.45Å; L33-V75 PolarHBondContact N-O 3.1Å; L33-V75 PolarHBondContact O-N 2.85Å; W49-V75 HydrophobicContact CB-CG2 4.18Å; W49-V75 HydrophobicContact CD2-CB 4.48Å; W49-V75 HydrophobicContact CD2-CG2 3.49Å; W49-V75 VanDerWaalsContact CD2-CG2 3.49Å; W49-V75 HydrophobicContact CE3-CG2 3.99Å; W49-V75 HydrophobicContact CG-CG2 3.61Å; W49-V75 HydrophobicContact CZ2-CG2 4.18Å; I56-V75 HydrophobicContact CD1-CG1 4.32Å; I56-V75 HydrophobicContact CD1-CG2 4.14Å; A66-V75 HydrophobicContact CB-CG1 3.8Å; V75-I77 HydrophobicContact CG1-CG1 4.28Å
76	S	74.3	Confident	68.3	Low	14 Å²	14	53.5 Å²	53.5	10%	0.098	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	118.1	177.4	-170	0	0	0	0	109.4	E32 A66 K67	E32-S76 VanDerWaalsContact OE1-CB 3.31Å; E32-S76 WeakPolarHBondContact OE1-CB 3.45Å; E32-S76 PolarHBondContact OE1-OG 3.43Å; A66-S76 CarbonylContact C-O 3.6Å; A66-S76 WeakPolarHBondContact CA-O 3.45Å; K67-S76 PolarHBondContact N-O 3.35Å; K67-S76 PolarHBondContact O-N 3.21Å
77	I	79.8	Confident	69.6	Low	0 Å²	0	56.5 Å²	56.5	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	112.1	178.6	-52.7	168.2	0	0	0	107.7	M30 V31 L33 A66 V75 V80 Y88 L105	M30-I77 WeakPolarHBondContact CA-O 3.24Å; V31-I77 PolarHBondContact N-O 3.04Å; V31-I77 VanDerWaalsContact N-O 3.12Å; V31-I77 PolarHBondContact O-N 3.21Å; L33-I77 HydrophobicContact CD1-CD1 4.34Å; A66-I77 HydrophobicContact CB-CG1 4.15Å; V75-I77 HydrophobicContact CG1-CG1 4.28Å; I77-V80 HydrophobicContact CB-CG2 4.2Å; I77-V80 HydrophobicContact CG2-CG2 3.74Å; I77-Y88 HydrophobicContact CD1-CE1 3.88Å; I77-Y88 HydrophobicContact CD1-CE2 4.04Å; I77-Y88 WeakPolarHBondContact CD1-OH 3.36Å; I77-L105 HydrophobicContact CD1-CD2 3.69Å
78	S	60	Low	70.6	Confident	36 Å²	36	50.6 Å²	50.6	25%	0.252	29%	0.29	S	S	.	.	S	Bend	trans	-93.2	122	178.5	34	0	0	0	0	110.3	S65	S65-S78 PolarHBondContact O-N 2.87Å; S65-S78 PolarHBondContact O-OG 3.04Å; S65-S78 VanDerWaalsContact O-OG 3.05Å; S65-S78 PolarHBondContact OG-OG 2.82Å
79	S	64.1	Low	71.8	Confident	77 Å²	77	47.9 Å²	47.9	54%	0.538	28%	0.279	S	S	.	.	S	Bend	trans	58.9	71.7	-176.7	178.5	0	0	0	0	113.5	S29	S29-S79 WeakPolarHBondContact O-CA 3.43Å; S29-S79 PolarHBondContact O-N 2.81Å
80	V	73.7	Confident	73.1	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	26%	0.259	C	S	.	.			trans	-53.5	136.6	176.6	173	0	0	0	0	111.8	T25 G28 S29 V31 I77 V107	T25-V80 HydrophobicContact CG2-CB 4.24Å; T25-V80 HydrophobicContact CG2-CG1 3.64Å; T25-V80 HydrophobicContact CG2-CG2 4.23Å; G28-V80 PolarHBondContact N-O 2.79Å; S29-V80 WeakPolarHBondContact O-CG2 3.38Å; S29-V80 PolarHBondContact O-N 2.87Å; V31-V80 HydrophobicContact CB-CG2 4.27Å; V31-V80 HydrophobicContact CG2-CG2 3.96Å; I77-V80 HydrophobicContact CB-CG2 4.2Å; I77-V80 HydrophobicContact CG2-CG2 3.74Å; V80-V107 HydrophobicContact CG1-CB 4.44Å; V80-V107 HydrophobicContact CG1-CG1 4.16Å; V80-V107 HydrophobicContact CG1-CG2 3.4Å
81	S	69.8	Low	74.4	Confident	27 Å²	27	39.6 Å²	39.6	19%	0.189	24%	0.239	C	C	.	.			trans	-135.9	173.5	176.5	75.1	0	0	0	0	111.1	A83 S84 V107	S81-A83 PolarHBondContact O-N 2.82Å; S81-A83 PolarHBondContact OG-N 3.27Å; S81-S84 PolarHBondContact N-OG 3.44Å; S81-S84 WeakPolarHBondContact O-CA 3.23Å; S81-S84 VanDerWaalsContact O-CB 3.23Å; S81-S84 WeakPolarHBondContact O-CB 3.43Å; S81-S84 PolarHBondContact O-N 2.88Å; S81-S84 PolarHBondContact O-OG 2.9Å; S81-V107 WeakPolarHBondContact O-CG2 3.44Å
82	A	68.8	Low	75.2	Confident	76 Å²	76	32 Å²	32	63%	0.628	20%	0.199	S	C	*	.	G	3₁₀ helix	trans	-56.5	-23	173.6	0	0	0	0	0	113.8	S84	A82-S84 VanDerWaalsContact C-N 3.28Å
83	A	67.6	Low	75.7	Confident	74 Å²	74	34.9 Å²	34.9	61%	0.612	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	-77.5	-11.6	173.3	0	0	0	0	0	113.8	S81	S81-A83 PolarHBondContact O-N 2.82Å; S81-A83 PolarHBondContact OG-N 3.27Å
84	S	72.9	Confident	76.1	Confident	3 Å²	3	36.7 Å²	36.7	2%	0.021	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-91.2	-4.7	175	-46.9	0	0	0	0	112.7	S81 A82 Y88	S81-S84 PolarHBondContact N-OG 3.44Å; S81-S84 WeakPolarHBondContact O-CA 3.23Å; S81-S84 VanDerWaalsContact O-CB 3.23Å; S81-S84 WeakPolarHBondContact O-CB 3.43Å; S81-S84 PolarHBondContact O-N 2.88Å; S81-S84 PolarHBondContact O-OG 2.9Å; A82-S84 VanDerWaalsContact C-N 3.28Å; S84-Y88 WeakPolarHBondContact O-CE2 3.43Å; S84-Y88 PolarHBondContact O-OH 2.9Å
85	E	77.1	Confident	75.9	Confident	87 Å²	87	43.1 Å²	43.1	41%	0.407	25%	0.253	S	S	.	.			trans	-71.6	134.5	176.8	176.4	150.7	-163.3	0	0	111.1	F51 L105 V107	F51-E85 WeakPolarHBondContact CZ-O 3.43Å; E85-L105 WeakPolarHBondContact CA-O 3.4Å; E85-L105 WeakPolarHBondContact CG-O 3.46Å; E85-V107 HydrophobicContact CB-CG2 4.18Å; E85-V107 PolarHBondContact OE2-N 3.47Å
86	G	80.5	Confident	75.3	Confident	16 Å²	16	51.8 Å²	51.8	17%	0.165	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	151	-164.7	-178.6	0	0	0	0	0	114.7	N52 L105	N52-G86 WeakPolarHBondContact OD1-CA 3.47Å; G86-L105 PolarHBondContact N-O 3.06Å; G86-L105 PolarHBondContact O-N 3.29Å
87	E	82.4	Confident	75.2	Confident	90 Å²	90	52.3 Å²	52.3	42%	0.421	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	121.7	-177.2	-164.4	178.1	137.1	0	0	111.1	F51 N52 V89 T102 Y103	F51-E87 CarbonylContact C-O 3.57Å; F51-E87 WeakPolarHBondContact CA-O 3.34Å; N52-E87 PolarHBondContact N-O 3.42Å; N52-E87 PolarHBondContact OD1-N 3.37Å; E87-V89 HydrophobicContact CG-CG2 3.97Å; E87-V89 WeakPolarHBondContact OE1-CG2 3.5Å; E87-T102 HydrophobicContact CG-CG2 3.53Å; E87-T102 VanDerWaalsContact OE1-CG2 3.24Å; E87-T102 WeakPolarHBondContact OE1-CG2 3.29Å; E87-Y103 CarbonylContact C-O 3.57Å; E87-Y103 WeakPolarHBondContact CA-O 3.49Å
88	Y	84.6	Confident	75.2	Confident	4 Å²	4	59 Å²	59	2%	0.016	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	115.3	174.6	-65.9	-98.6	0	0	0	108.9	L33 T50 F51 I56 I77 S84 Y103 L105	L33-Y88 HydrophobicContact CD1-CD1 4.02Å; L33-Y88 HydrophobicContact CD1-CD2 3.94Å; L33-Y88 HydrophobicContact CD1-CG 3.61Å; T50-Y88 CarbonylContact O-C 3.59Å; T50-Y88 WeakPolarHBondContact O-CA 3.36Å; F51-Y88 HydrophobicContact CB-CD1 4.12Å; F51-Y88 HydrophobicContact CB-CE1 4.03Å; F51-Y88 AromaticContact CD2-CD1 3.84Å; F51-Y88 HydrophobicContact CD2-CD1 3.84Å; F51-Y88 AromaticContact CD2-CD2 3.87Å; F51-Y88 HydrophobicContact CD2-CD2 3.87Å; F51-Y88 AromaticContact CD2-CE1 3.46Å; F51-Y88 HydrophobicContact CD2-CE1 3.46Å; F51-Y88 VanDerWaalsContact CD2-CE1 3.46Å; F51-Y88 AromaticContact CD2-CE2 3.5Å; F51-Y88 HydrophobicContact CD2-CE2 3.5Å; F51-Y88 VanDerWaalsContact CD2-CE2 3.5Å; F51-Y88 HydrophobicContact CD2-CG 4.02Å; F51-Y88 AromaticContact CD2-CZ 3.27Å; F51-Y88 HydrophobicContact CE2-CD2 4.2Å; F51-Y88 HydrophobicContact CE2-CE1 4.12Å; F51-Y88 AromaticContact CE2-CE2 3.49Å; F51-Y88 HydrophobicContact CE2-CE2 3.49Å; F51-Y88 VanDerWaalsContact CE2-CE2 3.49Å; F51-Y88 AromaticContact CE2-CZ 3.44Å; F51-Y88 VanDerWaalsContact CE2-CZ 3.44Å; F51-Y88 WeakPolarHBondContact CE2-OH 3.46Å; F51-Y88 HydrophobicContact CG-CD1 4.35Å; F51-Y88 AromaticContact CG-CE1 3.92Å; F51-Y88 HydrophobicContact CG-CE1 3.92Å; I56-Y88 HydrophobicContact CD1-CD1 3.95Å; I56-Y88 HydrophobicContact CD1-CE1 4.31Å; I77-Y88 HydrophobicContact CD1-CE1 3.88Å; I77-Y88 HydrophobicContact CD1-CE2 4.04Å; I77-Y88 WeakPolarHBondContact CD1-OH 3.36Å; S84-Y88 WeakPolarHBondContact O-CE2 3.43Å; S84-Y88 PolarHBondContact O-OH 2.9Å; Y88-Y103 PolarHBondContact N-O 2.81Å; Y88-Y103 PolarHBondContact O-N 2.82Å; Y88-L105 HydrophobicContact CD2-CB 4.11Å; Y88-L105 HydrophobicContact CE2-CB 3.93Å; Y88-L105 HydrophobicContact CE2-CD2 3.88Å
89	V	82.9	Confident	75.9	Confident	22 Å²	22	58.5 Å²	58.5	13%	0.133	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	121.4	-177.6	-172.2	0	0	0	0	109.6	W49 T50 E87 V91 T100 T101 T102	W49-V89 WeakPolarHBondContact CA-O 3.44Å; T50-V89 PolarHBondContact N-O 2.86Å; T50-V89 PolarHBondContact O-N 2.02Å; E87-V89 HydrophobicContact CG-CG2 3.97Å; E87-V89 WeakPolarHBondContact OE1-CG2 3.5Å; V89-V91 HydrophobicContact CG1-CG2 4.44Å; V89-T100 HydrophobicContact CG1-CG2 3.48Å; V89-T100 VanDerWaalsContact CG1-CG2 3.48Å; V89-T101 WeakPolarHBondContact CA-O 3.45Å; V89-T102 HydrophobicContact CG2-CG2 4.27Å
90	C	85.6	Confident	76.7	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	137.7	165.7	-171.5	0	0	0	0	110.4	C35 I47 W49 T100 T101	C35-C90 HydrophobicContact CB-CB 3.83Å; C35-C90 WeakPolarHBondContact CB-SG 3.07Å; C35-C90 WeakPolarHBondContact SG-CB 3.05Å; C35-C90 CovalentContact SG-SG 2.02Å; C35-C90 PolarHBondContact SG-SG 3.48Å; I47-C90 WeakPolarHBondContact CG2-SG 3.38Å; W49-C90 HydrophobicContact CD2-CB 3.75Å; W49-C90 HydrophobicContact CE3-CB 3.8Å; W49-C90 HydrophobicContact CH2-CB 3.81Å; W49-C90 HydrophobicContact CZ2-CB 3.75Å; W49-C90 HydrophobicContact CZ3-CB 3.83Å; C90-T100 CarbonylContact O-C 3.59Å; C90-T100 VanDerWaalsContact O-CA 3.3Å; C90-T100 WeakPolarHBondContact O-CA 3.39Å; C90-T101 PolarHBondContact N-O 2.86Å; C90-T101 PolarHBondContact O-N 2.87Å
91	V	82.8	Confident	77.1	Confident	24 Å²	24	57.6 Å²	57.6	15%	0.145	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	122.6	168.6	168	0	0	0	0	108.8	I47 T48 V89 V93 K98 T100	I47-V91 WeakPolarHBondContact CA-O 3.11Å; T48-V91 PolarHBondContact N-O 2.76Å; T48-V91 PolarHBondContact O-N 2.82Å; T48-V91 PolarHBondContact OG1-O 3.06Å; V89-V91 HydrophobicContact CG1-CG2 4.44Å; V91-V93 HydrophobicContact CG1-CG2 3.85Å; V91-K98 HydrophobicContact CG1-CD 4.05Å; V91-K98 HydrophobicContact CG1-CG 4.15Å; V91-T100 HydrophobicContact CG2-CG2 3.93Å
92	A	79.1	Confident	77.7	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.008	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	132.1	171.1	0	0	0	0	0	109.7	Y36 A45 I47 K98 A99	Y36-A92 HydrophobicContact CD2-CB 4.49Å; Y36-A92 HydrophobicContact CE2-CB 3.85Å; A45-A92 HydrophobicContact CB-CB 4.44Å; I47-A92 HydrophobicContact CG1-CB 4.27Å; A92-K98 WeakPolarHBondContact O-CA 3.49Å; A92-A99 PolarHBondContact N-O 3.48Å; A92-A99 PolarHBondContact O-N 3.02Å
93	V	78.1	Confident	78.4	Confident	68 Å²	68	54.5 Å²	54.5	41%	0.412	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	130	179.3	-173.6	0	0	0	0	110	A45 K46 V91 K98	A45-V93 WeakPolarHBondContact CA-O 3.38Å; K46-V93 PolarHBondContact N-O 3.09Å; K46-V93 PolarHBondContact O-N 3.1Å; V91-V93 HydrophobicContact CG1-CG2 3.85Å; V93-K98 HydrophobicContact CG2-CB 4.32Å; V93-K98 HydrophobicContact CG2-CD 4.39Å; V93-K98 HydrophobicContact CG2-CG 4.17Å
94	W	80.1	Confident	79.1	Confident	87 Å²	87	52.7 Å²	52.7	33%	0.33	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	172.7	175.6	65.1	102.2	0	0	0	109.6	I42 Q96 G97 A99	I42-W94 HydrophobicContact CD1-CD2 4.19Å; I42-W94 HydrophobicContact CD1-CE3 3.71Å; I42-W94 HydrophobicContact CD1-CH2 3.89Å; I42-W94 HydrophobicContact CD1-CZ2 4.35Å; I42-W94 HydrophobicContact CD1-CZ3 3.55Å; I42-W94 HydrophobicContact CG2-CB 3.96Å; I42-W94 HydrophobicContact CG2-CD2 3.96Å; I42-W94 HydrophobicContact CG2-CE3 4.25Å; I42-W94 HydrophobicContact CG2-CG 3.83Å; W94-Q96 PolarHBondContact O-N 3.05Å; W94-G97 PolarHBondContact N-O 3.07Å; W94-G97 PolarHBondContact O-N 2.91Å; W94-A99 HydrophobicContact CH2-CB 3.74Å; W94-A99 HydrophobicContact CZ3-CB 3.82Å
95	E	70.9	Confident	79.5	Confident	200 Å²	200	52.6 Å²	52.6	94%	0.935	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-24.8	-169.1	-66.1	-162.4	147.7	0	0	115.5
96	Q	65.6	Low	79.5	Confident	182 Å²	182	50.9 Å²	50.9	85%	0.85	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.1	6.2	-174.8	-59.3	-172.5	9.4	0	0	113.7	W94	W94-Q96 PolarHBondContact O-N 3.05Å
97	G	73.3	Confident	79.2	Confident	25 Å²	25	50.9 Å²	50.9	26%	0.258	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.1	168.6	-176.8	0	0	0	0	0	116.1	W94	W94-G97 PolarHBondContact N-O 3.07Å; W94-G97 PolarHBondContact O-N 2.91Å
98	K	78.8	Confident	78	Confident	139 Å²	139	48 Å²	48	60%	0.604	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.6	133.3	167.9	167.4	178.1	167.5	175	0	107.5	V91 A92 V93 T100	V91-K98 HydrophobicContact CG1-CD 4.05Å; V91-K98 HydrophobicContact CG1-CG 4.15Å; A92-K98 WeakPolarHBondContact O-CA 3.49Å; V93-K98 HydrophobicContact CG2-CB 4.32Å; V93-K98 HydrophobicContact CG2-CD 4.39Å; V93-K98 HydrophobicContact CG2-CG 4.17Å; K98-T100 WeakPolarHBondContact CE-OG1 3.25Å
99	A	76	Confident	76.3	Confident	26 Å²	26	52.8 Å²	52.8	22%	0.215	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	151.9	168	0	0	0	0	0	110.2	Y36 A92 W94	Y36-A99 HydrophobicContact CE1-CB 4.25Å; Y36-A99 HydrophobicContact CE2-CB 4.45Å; Y36-A99 WeakPolarHBondContact OH-CB 3.36Å; A92-A99 PolarHBondContact N-O 3.48Å; A92-A99 PolarHBondContact O-N 3.02Å; W94-A99 HydrophobicContact CH2-CB 3.74Å; W94-A99 HydrophobicContact CZ3-CB 3.82Å
100	T	81.1	Confident	74.5	Confident	49 Å²	49	57.4 Å²	57.4	30%	0.301	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	135.1	-175.7	-51	0	0	0	0	108.5	Y36 V89 C90 V91 K98	Y36-T100 PolarHBondContact OH-N 3.39Å; Y36-T100 VanDerWaalsContact OH-N 3.13Å; V89-T100 HydrophobicContact CG1-CG2 3.48Å; V89-T100 VanDerWaalsContact CG1-CG2 3.48Å; C90-T100 CarbonylContact O-C 3.59Å; C90-T100 VanDerWaalsContact O-CA 3.3Å; C90-T100 WeakPolarHBondContact O-CA 3.39Å; V91-T100 HydrophobicContact CG2-CG2 3.93Å; K98-T100 WeakPolarHBondContact CE-OG1 3.25Å
101	T	80.6	Confident	72.4	Confident	9 Å²	9	62 Å²	62	6%	0.055	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	128.3	175.3	-55.2	0	0	0	0	108.6	Y36 V89 C90 Y103	Y36-T101 VanDerWaalsContact CZ-OG1 3.31Å; Y36-T101 PolarHBondContact OH-OG1 3.26Å; Y36-T101 VanDerWaalsContact OH-OG1 3.1Å; V89-T101 WeakPolarHBondContact CA-O 3.45Å; C90-T101 PolarHBondContact N-O 2.86Å; C90-T101 PolarHBondContact O-N 2.87Å; T101-Y103 HydrophobicContact CG2-CD2 4.32Å; T101-Y103 HydrophobicContact CG2-CE2 3.52Å
102	T	82.5	Confident	70.8	Confident	27 Å²	27	66.2 Å²	66.2	17%	0.166	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	127.4	-177.1	-67.3	0	0	0	0	110.2	C20 M21 E87 V89	C20-T102 WeakPolarHBondContact CA-O 3.38Å; M21-T102 PolarHBondContact N-O 3.46Å; E87-T102 HydrophobicContact CG-CG2 3.53Å; E87-T102 VanDerWaalsContact OE1-CG2 3.24Å; E87-T102 WeakPolarHBondContact OE1-CG2 3.29Å; V89-T102 HydrophobicContact CG2-CG2 4.27Å
103	Y	83.1	Confident	69.6	Low	12 Å²	12	72.7 Å²	72.7	5%	0.047	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	127.7	172.4	-64.5	-83.9	0	0	0	109.8	M21 I23 L33 P34 W49 E87 Y88 T101	M21-Y103 HydrophobicContact CB-CD1 3.67Å; M21-Y103 HydrophobicContact CB-CE1 3.78Å; M21-Y103 HydrophobicContact CG-CE1 4.22Å; M21-Y103 CarbonylContact O-C 3.58Å; M21-Y103 VanDerWaalsContact O-CA 3.29Å; M21-Y103 WeakPolarHBondContact O-CA 3.45Å; M21-Y103 HydrophobicContact SD-CD1 4.37Å; M21-Y103 HydrophobicContact SD-CE1 3.49Å; M21-Y103 WeakPolarHBondContact SD-CE1 3.5Å; I23-Y103 HydrophobicContact CD1-CD1 3.54Å; I23-Y103 HydrophobicContact CD1-CE1 4.11Å; I23-Y103 HydrophobicContact CD1-CG 4.45Å; I23-Y103 HydrophobicContact CG1-CD1 4.38Å; L33-Y103 HydrophobicContact CB-CD2 4.38Å; L33-Y103 HydrophobicContact CD1-CG 4.42Å; L33-Y103 HydrophobicContact CD2-CD1 4.12Å; L33-Y103 HydrophobicContact CD2-CG 4.16Å; P34-Y103 WeakPolarHBondContact O-CE2 2.99Å; P34-Y103 PolarHBondContact O-OH 2.99Å; W49-Y103 HydrophobicContact CH2-CD2 4.05Å; W49-Y103 AromaticContact CH2-CE2 3.93Å; W49-Y103 HydrophobicContact CH2-CE2 3.93Å; W49-Y103 AromaticContact CZ3-CD2 3.98Å; W49-Y103 HydrophobicContact CZ3-CD2 3.98Å; W49-Y103 HydrophobicContact CZ3-CE2 4.31Å; E87-Y103 CarbonylContact C-O 3.57Å; E87-Y103 WeakPolarHBondContact CA-O 3.49Å; Y88-Y103 PolarHBondContact N-O 2.81Å; Y88-Y103 PolarHBondContact O-N 2.82Å; T101-Y103 HydrophobicContact CG2-CD2 4.32Å; T101-Y103 HydrophobicContact CG2-CE2 3.52Å
104	S	82.8	Confident	68.9	Low	35 Å²	35	72.6 Å²	72.6	25%	0.245	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	109.2	169	178	0	0	0	0	108	M21 R22 I23	M21-S104 PolarHBondContact O-N 3.11Å; R22-S104 WeakPolarHBondContact CA-O 3.46Å; I23-S104 PolarHBondContact N-O 2.92Å
105	L	81.3	Confident	68.6	Low	1 Å²	1	71.4 Å²	71.4	1%	0.005	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	117.2	-179.6	-176	65.8	0	0	0	109.3	I23 T25 V31 I77 E85 G86 Y88	I23-L105 HydrophobicContact CB-CD1 3.97Å; I23-L105 HydrophobicContact CG2-CD1 3.63Å; I23-L105 WeakPolarHBondContact O-CA 3.3Å; T25-L105 HydrophobicContact CG2-CD1 3.81Å; V31-L105 HydrophobicContact CG1-CD1 4.44Å; I77-L105 HydrophobicContact CD1-CD2 3.69Å; E85-L105 WeakPolarHBondContact CA-O 3.4Å; E85-L105 WeakPolarHBondContact CG-O 3.46Å; G86-L105 PolarHBondContact N-O 3.06Å; G86-L105 PolarHBondContact O-N 3.29Å; Y88-L105 HydrophobicContact CD2-CB 4.11Å; Y88-L105 HydrophobicContact CE2-CB 3.93Å; Y88-L105 HydrophobicContact CE2-CD2 3.88Å
106	T	77.1	Confident	68.9	Low	51 Å²	51	63 Å²	63	31%	0.313	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	138.9	171.3	56.6	0	0	0	0	110.5	I23 Q24 T25	I23-T106 PolarHBondContact O-N 2.99Å; Q24-T106 WeakPolarHBondContact CA-O 3.46Å; T25-T106 PolarHBondContact N-O 2.85Å; T25-T106 VanDerWaalsContact N-O 3.11Å
107	V	75.4	Confident	69.6	Low	16 Å²	16	60 Å²	60	10%	0.097	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	113.1	-178.8	-176.1	0	0	0	0	108.8	T25 Q27 V80 S81 E85 S109	T25-V107 HydrophobicContact CG2-CG2 4.49Å; T25-V107 WeakPolarHBondContact O-CA 3.43Å; Q27-V107 HydrophobicContact CB-CG1 4.32Å; V80-V107 HydrophobicContact CG1-CB 4.44Å; V80-V107 HydrophobicContact CG1-CG1 4.16Å; V80-V107 HydrophobicContact CG1-CG2 3.4Å; S81-V107 WeakPolarHBondContact O-CG2 3.44Å; E85-V107 HydrophobicContact CB-CG2 4.18Å; E85-V107 PolarHBondContact OE2-N 3.47Å; V107-S109 PolarHBondContact O-N 3.42Å
108	A	56.7	Low	70	Confident	31 Å²	31	59.8 Å²	59.8	26%	0.256	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	108.6	175.6	0	0	0	0	0	109	Q24 T25 E110	Q24-A108 HydrophobicContact CG-CB 4.39Å; T25-A108 PolarHBondContact O-N 3Å; A108-E110 PolarHBondContact O-N 3.23Å; A108-E110 VanDerWaalsContact O-N 3.1Å
109	S	47.5	Very low	69.8	Low	104 Å²	104	56.1 Å²	56.1	73%	0.727	32%	0.321	S	S	*	.			trans	-70.4	100.8	164.4	51.8	0	0	0	0	108.2	V107 S111	V107-S109 PolarHBondContact O-N 3.42Å; S109-S111 VanDerWaalsContact C-N 3.31Å; S109-S111 PolarHBondContact O-N 2.55Å
110	E	46.3	Very low	69.9	Low	118 Å²	118	57.6 Å²	57.6	55%	0.551	32%	0.323	S	S	*	.			trans	-67.9	92.6	174.6	-72.4	-177.8	147.8	0	0	109.5	A108 F112	A108-E110 PolarHBondContact O-N 3.23Å; A108-E110 VanDerWaalsContact O-N 3.1Å; E110-F112 HydrophobicContact CB-CD2 4.02Å; E110-F112 HydrophobicContact CB-CE2 3.6Å; E110-F112 HydrophobicContact CB-CZ 3.88Å; E110-F112 VanDerWaalsContact O-CD2 3.25Å; E110-F112 WeakPolarHBondContact O-CD2 3.47Å; E110-F112 PolarHBondContact O-N 3.4Å; E110-F112 WeakPolarHBondContact OE2-CZ 3.16Å
111	S	40.8	Very low	69.6	Low	98 Å²	98	61.3 Å²	61.3	69%	0.685	34%	0.341	S	S	*	.			trans	-67.7	85.6	161.6	59	0	0	0	0	108.3	S109 H113	S109-S111 VanDerWaalsContact C-N 3.31Å; S109-S111 PolarHBondContact O-N 2.55Å; S111-H113 PolarHBondContact O-N 3.34Å
112	F	49.2	Very low	69.5	Low	112 Å²	112	62.6 Å²	62.6	49%	0.491	35%	0.35	S	S	.	.			trans	-64.6	73.1	167.3	-64.6	-81.4	0	0	0	109.5	E110 S205	E110-F112 HydrophobicContact CB-CD2 4.02Å; E110-F112 HydrophobicContact CB-CE2 3.6Å; E110-F112 HydrophobicContact CB-CZ 3.88Å; E110-F112 VanDerWaalsContact O-CD2 3.25Å; E110-F112 WeakPolarHBondContact O-CD2 3.47Å; E110-F112 PolarHBondContact O-N 3.4Å; E110-F112 WeakPolarHBondContact OE2-CZ 3.16Å; F112-S205 VanDerWaalsContact O-CB 3.31Å; F112-S205 WeakPolarHBondContact O-CB 2.96Å; F112-S205 VanDerWaalsContact O-O 3.11Å
113	H	54.5	Low	69.5	Low	137 Å²	137	63.2 Å²	63.2	63%	0.634	36%	0.359	S	S	*	.			trans	-128.3	67.8	178.9	-76.8	26.6	0	0	0	107.8	S111 T115	S111-H113 PolarHBondContact O-N 3.34Å; H113-T115 PolarHBondContact O-N 2.87Å; H113-T115 VanDerWaalsContact O-N 3.09Å
114	T	63	Low	69.5	Low	66 Å²	66	62.7 Å²	62.7	41%	0.405	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	103.4	171.7	-58.8	0	0	0	0	108.2	V116 S205 L206 Q207	T114-V116 PolarHBondContact O-N 3.44Å; T114-S205 PolarHBondContact N-O 2.73Å; T114-L206 HydrophobicContact CG2-CD2 3.95Å; T114-L206 CarbonylContact O-C 3.52Å; T114-L206 WeakPolarHBondContact O-CA 3.34Å; T114-L206 WeakPolarHBondContact O-CB 3.46Å; T114-Q207 PolarHBondContact O-N 2.59Å
115	T	74.6	Confident	69.5	Low	61 Å²	61	67.2 Å²	67.2	37%	0.374	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	112.9	176.2	-52.2	0	0	0	0	110.6	H113 K117 Q207 E209	H113-T115 PolarHBondContact O-N 2.87Å; H113-T115 VanDerWaalsContact O-N 3.09Å; T115-K117 HydrophobicContact CG2-CD 4.45Å; T115-K117 HydrophobicContact CG2-CG 3.81Å; T115-Q207 CarbonylContact C-O 3.54Å; T115-Q207 WeakPolarHBondContact CA-O 3.22Å; T115-Q207 HydrophobicContact CG2-CB 4.47Å; T115-Q207 HydrophobicContact CG2-CG 4.45Å; T115-E209 HydrophobicContact CG2-CB 4.32Å; T115-E209 HydrophobicContact CG2-CG 3.78Å; T115-E209 VanDerWaalsContact CG2-OE1 3.24Å; T115-E209 WeakPolarHBondContact CG2-OE1 3.39Å
116	V	76.6	Confident	69.8	Low	24 Å²	24	67.2 Å²	67.2	15%	0.145	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	116.7	171.4	180	0	0	0	0	107.8	T114 V118 A124 L126 L206 Q207 L208 E209	T114-V116 PolarHBondContact O-N 3.44Å; V116-V118 HydrophobicContact CG1-CG1 4.2Å; V116-A124 HydrophobicContact CG1-CB 4.34Å; V116-L126 HydrophobicContact CB-CD2 3.97Å; V116-L126 HydrophobicContact CG1-CD2 4.06Å; V116-L126 HydrophobicContact CG2-CD2 3.83Å; V116-L206 HydrophobicContact CG2-CD2 3.75Å; V116-Q207 PolarHBondContact N-O 3.02Å; V116-L208 HydrophobicContact CB-CD1 4.19Å; V116-L208 HydrophobicContact CG1-CD1 4.05Å; V116-E209 PolarHBondContact O-N 2.84Å
117	K	81.5	Confident	70	Confident	118 Å²	118	66.4 Å²	66.4	51%	0.513	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	119.2	-178.8	-54.5	-171.3	-170.5	-103	0	109.7	T115 E209	T115-K117 HydrophobicContact CG2-CD 4.45Å; T115-K117 HydrophobicContact CG2-CG 3.81Å; K117-E209 WeakPolarHBondContact CA-O 3.38Å; K117-E209 WeakPolarHBondContact CD-OE2 3.39Å; K117-E209 HydrophobicContact CG-CB 4.16Å; K117-E209 IonicContact NZ-OE1 2.65Å; K117-E209 PolarHBondContact NZ-OE1 3.01Å; K117-E209 IonicContact NZ-OE2 2.71Å; K117-E209 PolarHBondContact NZ-OE2 2.94Å
118	V	81.6	Confident	70.4	Confident	21 Å²	21	65.6 Å²	65.6	13%	0.127	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	163.8	-179	-68.1	0	0	0	0	111.3	V116 A124 I185 L208 E209 V210 K211	V116-V118 HydrophobicContact CG1-CG1 4.2Å; V118-A124 HydrophobicContact CG1-CB 3.71Å; V118-A124 HydrophobicContact CG2-CB 4.26Å; V118-I185 HydrophobicContact CG2-CD1 3.94Å; V118-I185 HydrophobicContact CG2-CG2 4.04Å; V118-L208 HydrophobicContact CG2-CD1 3.7Å; V118-E209 PolarHBondContact N-O 3.27Å; V118-V210 HydrophobicContact CG2-CG2 4.37Å; V118-K211 PolarHBondContact O-N 3.23Å
119	T	74.6	Confident	71.4	Confident	62 Å²	62	71 Å²	71	38%	0.38	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	155.3	171.1	56.3	0	0	0	0	110.9	S122 K211	T119-S122 PolarHBondContact N-OG 3.1Å; T119-S122 WeakPolarHBondContact O-CB 3.42Å; T119-S122 PolarHBondContact O-N 2.61Å; T119-S122 PolarHBondContact O-OG 2.85Å; T119-K211 CarbonylContact C-O 3.43Å; T119-K211 WeakPolarHBondContact CA-O 3.23Å
120	E	78.3	Confident	72.6	Confident	57 Å²	57	67.1 Å²	67.1	27%	0.266	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	150.5	166.1	-167.5	148.3	-126.5	0	0	111.9	S122 I185 M187 V210 K211	E120-S122 PolarHBondContact O-N 2.66Å; E120-I185 CarbonylContact C-O 3.58Å; E120-I185 WeakPolarHBondContact CA-O 3.46Å; E120-M187 PolarHBondContact OE1-N 2.87Å; E120-V210 HydrophobicContact CB-CG1 4.47Å; E120-K211 PolarHBondContact N-O 3.19Å
121	D	74.3	Confident	73.6	Confident	128 Å²	128	65.5 Å²	65.5	68%	0.684	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.5	-4.3	-170.8	-76	-32.6	0	0	0	117.1	I185	D121-I185 PolarHBondContact N-O 3.48Å
122	S	77.8	Confident	74.4	Confident	35 Å²	35	65.5 Å²	65.5	25%	0.245	35%	0.345	C	S	.	.	S	Bend	trans	-82.2	176.5	173.6	77.1	0	0	0	0	113.1	T119 E120 I185	T119-S122 PolarHBondContact N-OG 3.1Å; T119-S122 WeakPolarHBondContact O-CB 3.42Å; T119-S122 PolarHBondContact O-N 2.61Å; T119-S122 PolarHBondContact O-OG 2.85Å; E120-S122 PolarHBondContact O-N 2.66Å; S122-I185 WeakPolarHBondContact O-CB 3.16Å; S122-I185 PolarHBondContact O-N 2.89Å
123	A	82.1	Confident	74.5	Confident	41 Å²	41	64.7 Å²	64.7	34%	0.339	35%	0.354	S	S	.	.			trans	-103.5	141.5	169.6	0	0	0	0	0	110.6	M181 I182	A123-M181 HydrophobicContact CB-CG 4.43Å; A123-I182 WeakPolarHBondContact CA-O 3.41Å
124	A	83.9	Confident	74	Confident	1 Å²	1	63.4 Å²	63.4	1%	0.008	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	144.6	170.3	0	0	0	0	0	110.6	V116 V118 M181 I182 I185 L208	V116-A124 HydrophobicContact CG1-CB 4.34Å; V118-A124 HydrophobicContact CG1-CB 3.71Å; V118-A124 HydrophobicContact CG2-CB 4.26Å; A124-M181 CarbonylContact O-C 3.58Å; A124-M181 WeakPolarHBondContact O-CA 3.46Å; A124-I182 PolarHBondContact N-O 2.91Å; A124-I182 VanDerWaalsContact N-O 3.12Å; A124-I182 PolarHBondContact O-N 2.88Å; A124-I185 HydrophobicContact CB-CD1 3.2Å; A124-L208 HydrophobicContact CB-CD1 3.94Å
125	Y	83.6	Confident	73.2	Confident	130 Å²	130	69.3 Å²	69.3	51%	0.51	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	122.8	170.7	-59.3	-88.6	0	0	0	107.6	P127 V171 T179 I180 M181	Y125-P127 WeakPolarHBondContact O-CD 3.17Å; Y125-V171 HydrophobicContact CD1-CG2 4.09Å; Y125-V171 HydrophobicContact CE1-CG2 4.34Å; Y125-T179 HydrophobicContact CD1-CG2 4.46Å; Y125-I180 WeakPolarHBondContact CA-O 3.18Å; Y125-M181 HydrophobicContact CD1-CB 4.02Å; Y125-M181 HydrophobicContact CD1-CG 4.33Å; Y125-M181 HydrophobicContact CE1-CB 3.92Å; Y125-M181 HydrophobicContact CE1-CG 3.88Å; Y125-M181 HydrophobicContact CE1-SD 3.88Å
126	L	86.4	Confident	71.8	Confident	0 Å²	0	73.5 Å²	73.5	0%	0	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	103.6	-180	-56.7	-175.2	0	0	0	108.4	V116 W144 T179 I180 I182 Y193 L206 L208	V116-L126 HydrophobicContact CB-CD2 3.97Å; V116-L126 HydrophobicContact CG1-CD2 4.06Å; V116-L126 HydrophobicContact CG2-CD2 3.83Å; L126-W144 HydrophobicContact CB-CH2 3.6Å; L126-W144 HydrophobicContact CB-CZ2 4.32Å; L126-W144 HydrophobicContact CB-CZ3 3.98Å; L126-W144 HydrophobicContact CD1-CZ3 4.39Å; L126-W144 VanDerWaalsContact O-CH2 3.25Å; L126-W144 WeakPolarHBondContact O-CH2 3.44Å; L126-W144 WeakPolarHBondContact O-CZ2 3.49Å; L126-T179 WeakPolarHBondContact O-CA 3.35Å; L126-I180 HydrophobicContact CB-CG1 3.93Å; L126-I180 HydrophobicContact CD1-CD1 4.22Å; L126-I180 HydrophobicContact CD1-CG1 4.41Å; L126-I180 HydrophobicContact CG-CG1 4.47Å; L126-I180 PolarHBondContact N-O 3.45Å; L126-I180 PolarHBondContact O-N 2.92Å; L126-I182 HydrophobicContact CD1-CD1 3.76Å; L126-I182 HydrophobicContact CG-CD1 4.45Å; L126-Y193 HydrophobicContact CD1-CD1 3.59Å; L126-Y193 HydrophobicContact CD1-CD2 3.99Å; L126-Y193 HydrophobicContact CD1-CE1 4.16Å; L126-Y193 HydrophobicContact CD1-CG 3.5Å; L126-Y193 VanDerWaalsContact CD1-CG 3.5Å; L126-L206 HydrophobicContact CB-CD1 4.46Å; L126-L206 HydrophobicContact CB-CD2 4.49Å; L126-L208 HydrophobicContact CD2-CD1 4.36Å
127	P	81.6	Confident	70.6	Confident	34 Å²	34	76.5 Å²	76.5	22%	0.221	44%	0.439	C	S	.	.			trans	-73.1	143.8	-174	25.8	-35.1	0	0	0	113.8	Y125 Y129 T179 N204 L206	Y125-P127 WeakPolarHBondContact O-CD 3.17Å; P127-Y129 HydrophobicContact CB-CE2 3.95Å; P127-T179 WeakPolarHBondContact CA-OG1 3.33Å; P127-N204 PolarHBondContact O-ND2 2.94Å; P127-L206 HydrophobicContact CG-CD2 4.02Å
128	C	83.1	Confident	69.3	Low	0 Å²	0	77.7 Å²	77.7	0%	0	45%	0.451	C	S	.	.			trans	-147.6	132.2	168.8	-177.7	0	0	0	0	109.6	W144 Q178 C195	C128-W144 HydrophobicContact CB-CH2 4.07Å; C128-W144 HydrophobicContact CB-CZ2 3.39Å; C128-Q178 HydrophobicContact CB-CB 4.31Å; C128-Q178 WeakPolarHBondContact O-CA 3.21Å; C128-Q178 PolarHBondContact O-N 3.2Å; C128-C195 HydrophobicContact CB-CB 3.57Å; C128-C195 WeakPolarHBondContact CB-SG 3.42Å; C128-C195 WeakPolarHBondContact SG-CB 3.25Å; C128-C195 CovalentContact SG-SG 2.02Å; C128-C195 PolarHBondContact SG-SG 3.28Å
129	Y	79.1	Confident	68.3	Low	143 Å²	143	80 Å²	80	56%	0.561	46%	0.462	S	S	*	.	B	Isolated β-bridge	trans	-120	131.4	-177	-59.8	-72.9	0	0	0	110.2	P127 Q176 D177	P127-Y129 HydrophobicContact CB-CE2 3.95Å; Y129-Q176 WeakPolarHBondContact CA-O 3.37Å; Y129-D177 HydrophobicContact CD1-CB 4.14Å; Y129-D177 HydrophobicContact CE1-CB 3.93Å; Y129-D177 VanDerWaalsContact CE1-CG 3.45Å; Y129-D177 WeakPolarHBondContact CE1-OD2 3.43Å
130	L	71.7	Confident	68.1	Low	24 Å²	24	80.2 Å²	80.2	13%	0.126	47%	0.466	C	S	.	.			trans	-80	132	172.1	-72.7	166.9	0	0	0	109.7	I139 Q176 Q178 L203	L130-I139 HydrophobicContact CD1-CG2 3.57Å; L130-Q176 PolarHBondContact N-O 2.79Å; L130-Q178 HydrophobicContact CD1-CG 3.61Å; L130-Q178 HydrophobicContact CG-CG 3.88Å; L130-L203 HydrophobicContact CD2-CD1 3.6Å; L130-L203 HydrophobicContact CG-CD1 4.47Å
131	P	67.3	Low	68	Low	84 Å²	84	80 Å²	80	55%	0.545	47%	0.467	S	S	.	.			trans	-66.6	140	173.6	29.2	-34.3	0	0	0	109.8	S133	P131-S133 PolarHBondContact O-N 2.93Å
132	S	57.4	Low	68.4	Low	97 Å²	97	74.1 Å²	74.1	68%	0.678	44%	0.436	S	S	*	.			trans	-62.7	105.1	-177.7	-41.1	0	0	0	0	111.1
133	S	52.5	Low	68.8	Low	96 Å²	96	75 Å²	75	67%	0.671	44%	0.436	S	S	*	.			trans	-77.9	137.7	173.9	49.1	0	0	0	0	111.1	P131	P131-S133 PolarHBondContact O-N 2.93Å
134	S	43.3	Very low	69.2	Low	110 Å²	110	73.2 Å²	73.2	77%	0.769	42%	0.42	S	S	*	.	S	Bend	trans	-75.2	128	171.5	51.7	0	0	0	0	110.8	D136	S134-D136 PolarHBondContact O-N 3.4Å
135	E	46.4	Very low	69.4	Low	190 Å²	190	74.4 Å²	74.4	89%	0.888	43%	0.426	S	S	*	.	S	Bend	trans	49.6	57.6	156.4	-59	-171.6	158.8	0	0	117.3
136	D	46.1	Very low	69.7	Low	149 Å²	149	69.9 Å²	69.9	80%	0.797	41%	0.408	S	S	*	.			trans	-157.9	127.5	139.5	-109.9	-29.6	0	0	0	110.7	S134 N138	S134-D136 PolarHBondContact O-N 3.4Å; D136-N138 VanDerWaalsContact C-N 3.26Å; D136-N138 PolarHBondContact O-N 3Å
137	G	50.7	Low	69.6	Low	87 Å²	87	73.4 Å²	73.4	90%	0.897	43%	0.425	S	S	*	.			trans	-80.7	40.6	-161.8	0	0	0	0	0	116.4
138	N	54.1	Low	69.3	Low	142 Å²	142	76 Å²	76	76%	0.759	44%	0.441	S	S	*	.			trans	-134.3	85.4	-177.9	-156.6	26.3	0	0	0	111.4	D136 S140	D136-N138 VanDerWaalsContact C-N 3.26Å; D136-N138 PolarHBondContact O-N 3Å; N138-S140 PolarHBondContact O-N 3.43Å
139	I	61.2	Low	68.3	Low	70 Å²	70	77.7 Å²	77.7	36%	0.359	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-75.2	118.2	-179.6	-57.7	178.1	0	0	0	108.6	L130	L130-I139 HydrophobicContact CD1-CG2 3.57Å
140	S	69.6	Low	67.2	Low	66 Å²	66	78.2 Å²	78.2	46%	0.462	48%	0.476	S	S	.	.	P	Polyproline II helix	trans	-88.6	124.8	174.6	-61.7	0	0	0	0	110.5	N138	N138-S140 PolarHBondContact O-N 3.43Å
141	N	76.4	Confident	66.5	Low	53 Å²	53	80.7 Å²	80.7	28%	0.283	51%	0.507	S	S	.	.	P	Polyproline II helix	trans	-58.6	144.4	-179.9	-71	-48.2	0	0	0	112	D174 Q178	N141-D174 PolarHBondContact ND2-OD1 2.82Å; N141-D174 PolarHBondContact OD1-N 2.86Å; N141-Q178 VanDerWaalsContact CA-OE1 3.27Å; N141-Q178 PolarHBondContact OD1-NE2 2.8Å; N141-Q178 PolarHBondContact OD1-OE1 2.82Å
142	A	81.6	Confident	66.8	Low	4 Å²	4	83.9 Å²	83.9	3%	0.033	51%	0.512	C	S	.	.	P	Polyproline II helix	trans	-70.3	163.1	-175.7	0	0	0	0	0	112.2	Q178 E196 L203	A142-Q178 HydrophobicContact CB-CB 3.85Å; A142-Q178 HydrophobicContact CB-CG 3.93Å; A142-E196 CarbonylContact C-O 3.56Å; A142-E196 WeakPolarHBondContact CA-O 3.3Å; A142-E196 WeakPolarHBondContact CB-O 3.33Å; A142-L203 HydrophobicContact CB-CD1 4.28Å
143	H	87.2	Confident	67.9	Low	55 Å²	55	83.7 Å²	83.7	26%	0.255	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	121.4	178.9	-67.7	-5.4	0	0	0	110.7	F145 R155 E196	H143-F145 HydrophobicContact CB-CE2 3.71Å; H143-F145 HydrophobicContact CB-CZ 4.11Å; H143-F145 WeakPolarHBondContact O-CD2 3.47Å; H143-F145 WeakPolarHBondContact O-CE2 3.43Å; H143-R155 PolarHBondContact CE1-NH2 3.23Å; H143-E196 PolarHBondContact N-O 2.67Å; H143-E196 PolarHBondContact O-N 2.92Å
144	W	89.9	Confident	69.5	Low	2 Å²	2	82.6 Å²	82.6	1%	0.008	49%	0.488	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	139.9	179.8	-80.2	95.7	0	0	0	112.3	L126 C128 L156 T158 Q178 I180 I194 C195 L206	L126-W144 HydrophobicContact CB-CH2 3.6Å; L126-W144 HydrophobicContact CB-CZ2 4.32Å; L126-W144 HydrophobicContact CB-CZ3 3.98Å; L126-W144 HydrophobicContact CD1-CZ3 4.39Å; L126-W144 VanDerWaalsContact O-CH2 3.25Å; L126-W144 WeakPolarHBondContact O-CH2 3.44Å; L126-W144 WeakPolarHBondContact O-CZ2 3.49Å; C128-W144 HydrophobicContact CB-CH2 4.07Å; C128-W144 HydrophobicContact CB-CZ2 3.39Å; W144-L156 HydrophobicContact CB-CB 4.3Å; W144-L156 HydrophobicContact CB-CD1 4.22Å; W144-L156 PolarHBondContact O-N 3.07Å; W144-T158 HydrophobicContact CB-CG2 4.47Å; W144-Q178 PolarHBondContact NE1-O 2.84Å; W144-I180 HydrophobicContact CB-CD1 4.22Å; W144-I180 HydrophobicContact CD2-CD1 3.56Å; W144-I180 HydrophobicContact CD2-CG1 3.87Å; W144-I180 HydrophobicContact CD2-CG2 4.36Å; W144-I180 HydrophobicContact CE3-CD1 3.73Å; W144-I180 HydrophobicContact CE3-CG1 4.23Å; W144-I180 HydrophobicContact CG-CD1 3.81Å; W144-I180 HydrophobicContact CG-CG1 4.31Å; W144-I180 HydrophobicContact CG-CG2 4.05Å; W144-I180 HydrophobicContact CH2-CG1 4.26Å; W144-I180 HydrophobicContact CZ2-CD1 4.46Å; W144-I180 HydrophobicContact CZ2-CG1 3.9Å; W144-I180 HydrophobicContact CZ3-CD1 4.27Å; W144-I180 HydrophobicContact CZ3-CG1 4.42Å; W144-I194 WeakPolarHBondContact CA-O 3.46Å; W144-C195 HydrophobicContact CD2-CB 3.98Å; W144-C195 HydrophobicContact CE3-CB 4.01Å; W144-C195 HydrophobicContact CH2-CB 3.93Å; W144-C195 HydrophobicContact CZ2-CB 3.88Å; W144-C195 HydrophobicContact CZ3-CB 3.98Å; W144-L206 HydrophobicContact CH2-CD1 3.61Å; W144-L206 HydrophobicContact CZ3-CD1 3.72Å
145	F	89.1	Confident	71.6	Confident	26 Å²	26	84 Å²	84	11%	0.114	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	149.6	178.8	-55	-100.1	0	0	0	111.4	H143 K153 T154 R155 Y193 I194 E196	H143-F145 HydrophobicContact CB-CE2 3.71Å; H143-F145 HydrophobicContact CB-CZ 4.11Å; H143-F145 WeakPolarHBondContact O-CD2 3.47Å; H143-F145 WeakPolarHBondContact O-CE2 3.43Å; F145-K153 HydrophobicContact CB-CB 3.98Å; F145-K153 HydrophobicContact CB-CD 4.04Å; F145-K153 HydrophobicContact CB-CG 4.22Å; F145-K153 HydrophobicContact CD1-CB 4.4Å; F145-K153 HydrophobicContact CD1-CD 3.76Å; F145-K153 HydrophobicContact CD1-CG 3.83Å; F145-K153 HydrophobicContact CD2-CD 4.25Å; F145-K153 HydrophobicContact CE1-CD 4.26Å; F145-K153 HydrophobicContact CE1-CG 4.49Å; F145-K153 HydrophobicContact CG-CB 4.48Å; F145-K153 HydrophobicContact CG-CD 3.78Å; F145-K153 HydrophobicContact CG-CG 4.18Å; F145-T154 CarbonylContact C-O 3.55Å; F145-T154 WeakPolarHBondContact CA-O 3.39Å; F145-R155 VanDerWaalsContact CD1-CA 3.5Å; F145-R155 HydrophobicContact CD1-CB 3.82Å; F145-R155 HydrophobicContact CD1-CG 4.36Å; F145-R155 HydrophobicContact CE1-CB 3.73Å; F145-R155 HydrophobicContact CE1-CG 4.07Å; F145-R155 HydrophobicContact CZ-CG 4.49Å; F145-Y193 CarbonylContact O-C 3.59Å; F145-Y193 WeakPolarHBondContact O-CA 3.48Å; F145-I194 HydrophobicContact CB-CB 4.5Å; F145-I194 PolarHBondContact N-O 2.79Å; F145-I194 PolarHBondContact O-N 2.87Å; F145-E196 HydrophobicContact CD2-CG 4.21Å; F145-E196 HydrophobicContact CE2-CB 4.25Å; F145-E196 HydrophobicContact CE2-CG 4.07Å; F145-E196 WeakPolarHBondContact CE2-OE2 3.34Å
146	K	89.6	Confident	73.5	Confident	35 Å²	35	76.1 Å²	76.1	15%	0.152	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	134.6	166.5	-177.3	174	-176	161.8	0	110.2	K153 T154 L156 W188 D189 A190 Y193	K146-K153 CarbonylContact O-C 3.6Å; K146-K153 WeakPolarHBondContact O-CA 3.31Å; K146-T154 PolarHBondContact N-O 2.02Å; K146-T154 PolarHBondContact O-N 2.9Å; K146-L156 HydrophobicContact CB-CD2 4.06Å; K146-W188 PolarHBondContact NZ-O 2.75Å; K146-D189 PolarHBondContact NZ-O 2.87Å; K146-A190 WeakPolarHBondContact CE-O 3.42Å; K146-A190 PolarHBondContact NZ-O 3.35Å; K146-Y193 HydrophobicContact CB-CD1 4.39Å; K146-Y193 HydrophobicContact CB-CE1 4.19Å; K146-Y193 HydrophobicContact CD-CE1 4.22Å; K146-Y193 HydrophobicContact CD-CE2 4.22Å; K146-Y193 HydrophobicContact CG-CE1 4.34Å; K146-Y193 HydrophobicContact CG-CE2 4.38Å; K146-Y193 PolarHBondContact NZ-OH 2.87Å
147	E	84.5	Confident	75.2	Confident	75 Å²	75	74.3 Å²	74.3	35%	0.35	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	131.1	175.3	-164.9	164	-150.9	0	0	110.8	V192	E147-V192 HydrophobicContact CB-CB 4.01Å; E147-V192 PolarHBondContact N-O 3Å
148	T	75.1	Confident	76.2	Confident	89 Å²	89	71.6 Å²	71.6	55%	0.546	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	6.5	-175.2	51.4	0	0	0	0	113.4	K152 T154	T148-K152 PolarHBondContact N-O 3.39Å; T148-K152 PolarHBondContact OG1-O 3.23Å; T148-T154 WeakPolarHBondContact CG2-OG1 3.38Å; T148-T154 PolarHBondContact OG1-OG1 3.38Å
149	G	61.8	Low	76.8	Confident	35 Å²	35	71.6 Å²	71.6	36%	0.361	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	158.2	172.4	177	0	0	0	0	0	110.5	G151 K152	G149-G151 PolarHBondContact O-N 2.85Å; G149-K152 PolarHBondContact O-N 3.48Å
150	V	55	Low	76.6	Confident	154 Å²	154	76.9 Å²	76.9	93%	0.933	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	109.2	-177	-176	0	0	0	0	110.8	K152	V150-K152 VanDerWaalsContact C-N 3.33Å; V150-K152 PolarHBondContact O-N 2.86Å
151	G	58.8	Low	75.7	Confident	76 Å²	76	78.4 Å²	78.4	78%	0.784	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.4	12.1	179.7	0	0	0	0	0	115.8	G149	G149-G151 PolarHBondContact O-N 2.85Å
152	K	71.9	Confident	74.6	Confident	151 Å²	151	84.4 Å²	84.4	66%	0.657	45%	0.451	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.9	124.7	176.2	-73.9	-174.6	178.1	-179.5	0	111.1	T148 G149 V150	T148-K152 PolarHBondContact N-O 3.39Å; T148-K152 PolarHBondContact OG1-O 3.23Å; G149-K152 PolarHBondContact O-N 3.48Å; V150-K152 VanDerWaalsContact C-N 3.33Å; V150-K152 PolarHBondContact O-N 2.86Å
153	K	81.4	Confident	73.4	Confident	93 Å²	93	87.3 Å²	87.3	40%	0.404	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	140.5	176.8	68.1	179.2	176.1	173.7	0	110.6	F145 K146 E196	F145-K153 HydrophobicContact CB-CB 3.98Å; F145-K153 HydrophobicContact CB-CD 4.04Å; F145-K153 HydrophobicContact CB-CG 4.22Å; F145-K153 HydrophobicContact CD1-CB 4.4Å; F145-K153 HydrophobicContact CD1-CD 3.76Å; F145-K153 HydrophobicContact CD1-CG 3.83Å; F145-K153 HydrophobicContact CD2-CD 4.25Å; F145-K153 HydrophobicContact CE1-CD 4.26Å; F145-K153 HydrophobicContact CE1-CG 4.49Å; F145-K153 HydrophobicContact CG-CB 4.48Å; F145-K153 HydrophobicContact CG-CD 3.78Å; F145-K153 HydrophobicContact CG-CG 4.18Å; K146-K153 CarbonylContact O-C 3.6Å; K146-K153 WeakPolarHBondContact O-CA 3.31Å; K153-E196 IonicContact NZ-OE1 2.61Å; K153-E196 PolarHBondContact NZ-OE1 2.8Å; K153-E196 IonicContact NZ-OE2 3.44Å; K153-E196 PolarHBondContact NZ-OE2 2.9Å
154	T	86.7	Confident	71.9	Confident	73 Å²	73	87 Å²	87	45%	0.448	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	127.2	176.9	-57.8	0	0	0	0	108.7	F145 K146 T148	F145-T154 CarbonylContact C-O 3.55Å; F145-T154 WeakPolarHBondContact CA-O 3.39Å; K146-T154 PolarHBondContact N-O 2.02Å; K146-T154 PolarHBondContact O-N 2.9Å; T148-T154 WeakPolarHBondContact CG2-OG1 3.38Å; T148-T154 PolarHBondContact OG1-OG1 3.38Å
155	R	87	Confident	70.4	Confident	138 Å²	138	93.7 Å²	93.7	52%	0.521	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	134.7	176.8	-171.6	175.6	173.8	-179.2	-2.9	109.7	H143 F145	H143-R155 PolarHBondContact CE1-NH2 3.23Å; F145-R155 VanDerWaalsContact CD1-CA 3.5Å; F145-R155 HydrophobicContact CD1-CB 3.82Å; F145-R155 HydrophobicContact CD1-CG 4.36Å; F145-R155 HydrophobicContact CE1-CB 3.73Å; F145-R155 HydrophobicContact CE1-CG 4.07Å; F145-R155 HydrophobicContact CZ-CG 4.49Å
156	L	86.7	Confident	69.5	Low	25 Å²	25	93.4 Å²	93.4	13%	0.131	52%	0.52	C	S	.	.	P	Polyproline II helix	trans	-86.5	143.1	174.3	-58.4	178.7	0	0	0	109.1	W144 K146 I168 I180 Y193	W144-L156 HydrophobicContact CB-CB 4.3Å; W144-L156 HydrophobicContact CB-CD1 4.22Å; W144-L156 PolarHBondContact O-N 3.07Å; K146-L156 HydrophobicContact CB-CD2 4.06Å; L156-I168 HydrophobicContact CB-CD1 4.44Å; L156-I168 HydrophobicContact CD1-CD1 4.05Å; L156-I168 HydrophobicContact CD2-CD1 4.1Å; L156-I168 HydrophobicContact CG-CD1 4.43Å; L156-I180 HydrophobicContact CD1-CD1 4.19Å; L156-Y193 HydrophobicContact CD1-CD1 3.69Å; L156-Y193 HydrophobicContact CD1-CE1 3.68Å
157	N	80.9	Confident	69.2	Low	112 Å²	112	95.8 Å²	95.8	60%	0.599	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-81.6	130.3	167.9	-167.8	12.5	0	0	0	108.6	E159	N157-E159 PolarHBondContact OD1-N 2.98Å
158	T	71.8	Confident	69.2	Low	30 Å²	30	93.6 Å²	93.6	18%	0.184	52%	0.521	C	S	.	.			trans	-133.7	9.1	-179	59.2	0	0	0	0	111.6	W144 I168 I180	W144-T158 HydrophobicContact CB-CG2 4.47Å; T158-I168 HydrophobicContact CG2-CG2 4.33Å; T158-I180 HydrophobicContact CG2-CG2 3.91Å
159	E	66.1	Low	69.7	Low	142 Å²	142	91.6 Å²	91.6	66%	0.664	51%	0.506	S	S	*	.	S	Bend	trans	-75	146.3	173.6	-65.4	173.8	-174.2	0	0	109.7	N157 D161	N157-E159 PolarHBondContact OD1-N 2.98Å; E159-D161 PolarHBondContact O-N 2.79Å
160	E	57	Low	70.6	Confident	181 Å²	181	91.5 Å²	91.5	85%	0.846	50%	0.497	S	S	*	.	P	Polyproline II helix	trans	-63.8	124.9	177.6	-66.3	-175	151	0	0	110.5
161	D	51.7	Low	71.6	Confident	97 Å²	97	87.2 Å²	87.2	52%	0.519	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-95.2	124.2	166.3	-177.5	23.6	0	0	0	108	E159 S163 G164	E159-D161 PolarHBondContact O-N 2.79Å; D161-S163 VanDerWaalsContact CG-OG 3.23Å; D161-S163 PolarHBondContact O-N 2.85Å; D161-S163 WeakPolarHBondContact OD2-CB 2.98Å; D161-S163 PolarHBondContact OD2-OG 2.86Å; D161-G164 PolarHBondContact O-N 2.84Å
162	D	52	Low	71.9	Confident	179 Å²	179	87.6 Å²	87.6	96%	0.957	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-10.5	-179.1	-88.9	-31	0	0	0	113.5
163	S	57	Low	71.3	Confident	66 Å²	66	83.8 Å²	83.8	46%	0.462	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-26.8	175.7	76.8	0	0	0	0	115	D161 D165	D161-S163 VanDerWaalsContact CG-OG 3.23Å; D161-S163 PolarHBondContact O-N 2.85Å; D161-S163 WeakPolarHBondContact OD2-CB 2.98Å; D161-S163 PolarHBondContact OD2-OG 2.86Å; S163-D165 PolarHBondContact O-N 2.83Å; S163-D165 PolarHBondContact OG-N 2.9Å; S163-D165 VanDerWaalsContact OG-N 3.15Å
164	G	56.7	Low	70.3	Confident	47 Å²	47	84.7 Å²	84.7	49%	0.485	45%	0.454	S	S	.	.	S	Bend	trans	69.1	5.2	-170.8	0	0	0	0	0	115.7	D161	D161-G164 PolarHBondContact O-N 2.84Å
165	D	58	Low	69.3	Low	144 Å²	144	85.1 Å²	85.1	77%	0.77	45%	0.454	S	S	*	.			trans	-95	10.6	-178.1	-97.2	-29.7	0	0	0	113.3	S163 K167	S163-D165 PolarHBondContact O-N 2.83Å; S163-D165 PolarHBondContact OG-N 2.9Å; S163-D165 VanDerWaalsContact OG-N 3.15Å; D165-K167 PolarHBondContact O-N 2.87Å
166	A	70.6	Confident	68.4	Low	19 Å²	19	82.8 Å²	82.8	16%	0.157	45%	0.449	C	S	.	.			trans	-60.2	132.1	-179.3	0	0	0	0	0	112.2	I168 E169	A166-I168 VanDerWaalsContact C-N 3.33Å; A166-E169 HydrophobicContact CB-CG 3.9Å
167	K	82.7	Confident	68	Low	86 Å²	86	83.6 Å²	83.6	37%	0.374	45%	0.453	S	S	.	.	S	Bend	trans	-71.2	-30.4	178.6	-174.1	174.2	-175.3	-174.9	0	112.5	D165 I182 K183 D189	D165-K167 PolarHBondContact O-N 2.87Å; K167-I182 WeakPolarHBondContact O-CA 3Å; K167-K183 WeakPolarHBondContact CE-O 3.34Å; K167-K183 PolarHBondContact O-N 3.02Å; K167-D189 IonicContact NZ-OD1 3.94Å; K167-D189 PolarHBondContact NZ-OD1 3.13Å; K167-D189 IonicContact NZ-OD2 2.66Å; K167-D189 PolarHBondContact NZ-OD2 3.41Å
168	I	85	Confident	68	Low	28 Å²	28	78.3 Å²	78.3	14%	0.144	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	128.6	-178	-51.9	-175.9	0	0	0	107.5	L156 T158 A166 I180 M181 I182	L156-I168 HydrophobicContact CB-CD1 4.44Å; L156-I168 HydrophobicContact CD1-CD1 4.05Å; L156-I168 HydrophobicContact CD2-CD1 4.1Å; L156-I168 HydrophobicContact CG-CD1 4.43Å; T158-I168 HydrophobicContact CG2-CG2 4.33Å; A166-I168 VanDerWaalsContact C-N 3.33Å; I168-I180 HydrophobicContact CG2-CB 4.17Å; I168-I180 HydrophobicContact CG2-CD1 3.96Å; I168-M181 WeakPolarHBondContact CA-O 3.46Å; I168-I182 HydrophobicContact CD1-CG1 4.47Å; I168-I182 HydrophobicContact CG1-CG1 4.23Å; I168-I182 HydrophobicContact CG1-CG2 4.4Å; I168-I182 HydrophobicContact CG2-CG1 4.39Å
169	E	84.6	Confident	68.6	Low	48 Å²	48	77.5 Å²	77.5	22%	0.224	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	145.2	-177.3	-72.5	170.7	-178.9	0	0	109.9	A166 I180 M181 K183	A166-E169 HydrophobicContact CB-CG 3.9Å; E169-I180 CarbonylContact O-C 3.49Å; E169-I180 VanDerWaalsContact O-CA 3.3Å; E169-I180 WeakPolarHBondContact O-CA 3.1Å; E169-M181 HydrophobicContact CB-CE 4.33Å; E169-M181 PolarHBondContact N-O 3.09Å; E169-M181 PolarHBondContact O-N 3.4Å; E169-M181 WeakPolarHBondContact OE2-CE 3.25Å; E169-K183 IonicContact OE1-NZ 2.65Å; E169-K183 PolarHBondContact OE1-NZ 2.87Å; E169-K183 WeakPolarHBondContact OE2-CE 3.2Å; E169-K183 IonicContact OE2-NZ 3.8Å; E169-K183 PolarHBondContact OE2-NZ 2.92Å
170	L	80.8	Confident	69.6	Low	32 Å²	32	70.7 Å²	70.7	17%	0.168	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	132.4	169.7	-165.2	70.5	0	0	0	108.6	P173 I180	L170-P173 HydrophobicContact CD2-CB 4.33Å; L170-P173 HydrophobicContact CD2-CG 4.4Å; L170-I180 HydrophobicContact CD1-CG2 3.85Å
171	V	75.8	Confident	70.9	Confident	65 Å²	65	63.7 Å²	63.7	39%	0.394	36%	0.356	S	S	.	.	S	Bend	trans	-78.7	-36.6	-171.8	-179.3	0	0	0	0	112.2	Y125 T179 M181	Y125-V171 HydrophobicContact CD1-CG2 4.09Å; Y125-V171 HydrophobicContact CE1-CG2 4.34Å; V171-T179 HydrophobicContact CB-CG2 4.48Å; V171-T179 HydrophobicContact CG2-CG2 3.92Å; V171-T179 WeakPolarHBondContact CG2-O 3.47Å; V171-T179 PolarHBondContact N-O 3.21Å; V171-M181 HydrophobicContact CG2-CB 3.88Å
172	L	65.1	Low	72.6	Confident	84 Å²	84	59 Å²	59	44%	0.44	33%	0.331	S	S	.	.	S	Bend	trans	-139.6	99.5	176.3	-69.1	173.3	0	0	0	109.1	D175	L172-D175 HydrophobicContact CB-CB 4.07Å
173	P	59.9	Low	74.2	Confident	70 Å²	70	53.6 Å²	53.6	46%	0.455	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	143.9	168.3	-21	33.4	0	0	0	111.4	L170 D175	L170-P173 HydrophobicContact CD2-CB 4.33Å; L170-P173 HydrophobicContact CD2-CG 4.4Å; P173-D175 PolarHBondContact O-N 3.49Å
174	D	59.5	Low	75.4	Confident	112 Å²	112	58 Å²	58	60%	0.599	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.8	14.1	172.4	-48.8	-26.8	0	0	0	116.6	N141	N141-D174 PolarHBondContact ND2-OD1 2.82Å; N141-D174 PolarHBondContact OD1-N 2.86Å
175	D	65.6	Low	76.6	Confident	82 Å²	82	55.8 Å²	55.8	44%	0.439	29%	0.287	S	S	.	.	S	Bend	trans	-96	166.1	169.3	-151.8	-41.1	0	0	0	111.6	L172 P173 D177 Q178	L172-D175 HydrophobicContact CB-CB 4.07Å; P173-D175 PolarHBondContact O-N 3.49Å; D175-D177 PolarHBondContact O-N 3.22Å; D175-Q178 PolarHBondContact O-NE2 3.18Å
176	Q	69.1	Low	77.7	Confident	90 Å²	90	51.3 Å²	51.3	42%	0.421	26%	0.263	S	S	.	.	S	Bend	trans	-65.6	-22.7	168.6	-68.2	-174.5	4.7	0	0	112.1	Y129 L130	Y129-Q176 WeakPolarHBondContact CA-O 3.37Å; L130-Q176 PolarHBondContact N-O 2.79Å
177	D	77.6	Confident	78	Confident	42 Å²	42	55.4 Å²	55.4	23%	0.225	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-87.3	105.5	171	-167.8	-19.2	0	0	0	111.1	Y129 D175 T179	Y129-D177 HydrophobicContact CD1-CB 4.14Å; Y129-D177 HydrophobicContact CE1-CB 3.93Å; Y129-D177 VanDerWaalsContact CE1-CG 3.45Å; Y129-D177 WeakPolarHBondContact CE1-OD2 3.43Å; D175-D177 PolarHBondContact O-N 3.22Å; D177-T179 WeakPolarHBondContact OD1-CB 3.4Å; D177-T179 PolarHBondContact OD1-N 2.52Å; D177-T179 PolarHBondContact OD1-OG1 2.98Å
178	Q	82.3	Confident	78	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	30%	0.303	C	S	.	.			trans	-101.7	32.6	-179.2	-63.8	-77.9	-52.9	0	0	111.5	C128 L130 N141 A142 W144 D175	C128-Q178 HydrophobicContact CB-CB 4.31Å; C128-Q178 WeakPolarHBondContact O-CA 3.21Å; C128-Q178 PolarHBondContact O-N 3.2Å; L130-Q178 HydrophobicContact CD1-CG 3.61Å; L130-Q178 HydrophobicContact CG-CG 3.88Å; N141-Q178 VanDerWaalsContact CA-OE1 3.27Å; N141-Q178 PolarHBondContact OD1-NE2 2.8Å; N141-Q178 PolarHBondContact OD1-OE1 2.82Å; A142-Q178 HydrophobicContact CB-CB 3.85Å; A142-Q178 HydrophobicContact CB-CG 3.93Å; W144-Q178 PolarHBondContact NE1-O 2.84Å; D175-Q178 PolarHBondContact O-NE2 3.18Å
179	T	84	Confident	78	Confident	13 Å²	13	61.9 Å²	61.9	8%	0.08	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-57.9	133.9	175.8	-68.6	0	0	0	0	111.8	Y125 L126 P127 V171 D177	Y125-T179 HydrophobicContact CD1-CG2 4.46Å; L126-T179 WeakPolarHBondContact O-CA 3.35Å; P127-T179 WeakPolarHBondContact CA-OG1 3.33Å; V171-T179 HydrophobicContact CB-CG2 4.48Å; V171-T179 HydrophobicContact CG2-CG2 3.92Å; V171-T179 WeakPolarHBondContact CG2-O 3.47Å; V171-T179 PolarHBondContact N-O 3.21Å; D177-T179 WeakPolarHBondContact OD1-CB 3.4Å; D177-T179 PolarHBondContact OD1-N 2.52Å; D177-T179 PolarHBondContact OD1-OG1 2.98Å
180	I	86.8	Confident	78	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	145.2	166.8	58.2	170.4	0	0	0	111.9	Y125 L126 W144 L156 T158 I168 E169 L170	Y125-I180 WeakPolarHBondContact CA-O 3.18Å; L126-I180 HydrophobicContact CB-CG1 3.93Å; L126-I180 HydrophobicContact CD1-CD1 4.22Å; L126-I180 HydrophobicContact CD1-CG1 4.41Å; L126-I180 HydrophobicContact CG-CG1 4.47Å; L126-I180 PolarHBondContact N-O 3.45Å; L126-I180 PolarHBondContact O-N 2.92Å; W144-I180 HydrophobicContact CB-CD1 4.22Å; W144-I180 HydrophobicContact CD2-CD1 3.56Å; W144-I180 HydrophobicContact CD2-CG1 3.87Å; W144-I180 HydrophobicContact CD2-CG2 4.36Å; W144-I180 HydrophobicContact CE3-CD1 3.73Å; W144-I180 HydrophobicContact CE3-CG1 4.23Å; W144-I180 HydrophobicContact CG-CD1 3.81Å; W144-I180 HydrophobicContact CG-CG1 4.31Å; W144-I180 HydrophobicContact CG-CG2 4.05Å; W144-I180 HydrophobicContact CH2-CG1 4.26Å; W144-I180 HydrophobicContact CZ2-CD1 4.46Å; W144-I180 HydrophobicContact CZ2-CG1 3.9Å; W144-I180 HydrophobicContact CZ3-CD1 4.27Å; W144-I180 HydrophobicContact CZ3-CG1 4.42Å; L156-I180 HydrophobicContact CD1-CD1 4.19Å; T158-I180 HydrophobicContact CG2-CG2 3.91Å; I168-I180 HydrophobicContact CG2-CB 4.17Å; I168-I180 HydrophobicContact CG2-CD1 3.96Å; E169-I180 CarbonylContact O-C 3.49Å; E169-I180 VanDerWaalsContact O-CA 3.3Å; E169-I180 WeakPolarHBondContact O-CA 3.1Å; L170-I180 HydrophobicContact CD1-CG2 3.85Å
181	M	84.9	Confident	78.2	Confident	33 Å²	33	60.7 Å²	60.7	16%	0.163	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	131.5	169	174.1	178.1	50.1	0	0	109.5	A123 A124 Y125 I168 E169 V171 K183	A123-M181 HydrophobicContact CB-CG 4.43Å; A124-M181 CarbonylContact O-C 3.58Å; A124-M181 WeakPolarHBondContact O-CA 3.46Å; Y125-M181 HydrophobicContact CD1-CB 4.02Å; Y125-M181 HydrophobicContact CD1-CG 4.33Å; Y125-M181 HydrophobicContact CE1-CB 3.92Å; Y125-M181 HydrophobicContact CE1-CG 3.88Å; Y125-M181 HydrophobicContact CE1-SD 3.88Å; I168-M181 WeakPolarHBondContact CA-O 3.46Å; E169-M181 HydrophobicContact CB-CE 4.33Å; E169-M181 PolarHBondContact N-O 3.09Å; E169-M181 PolarHBondContact O-N 3.4Å; E169-M181 WeakPolarHBondContact OE2-CE 3.25Å; V171-M181 HydrophobicContact CG2-CB 3.88Å; M181-K183 HydrophobicContact CE-CG 4.49Å; M181-K183 HydrophobicContact CG-CG 4.48Å; M181-K183 HydrophobicContact SD-CG 4.44Å
182	I	87.8	Confident	78.7	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	118.2	170.4	-54	177.2	0	0	0	108.3	A123 A124 L126 K167 I168 I185 Y193 L208	A123-I182 WeakPolarHBondContact CA-O 3.41Å; A124-I182 PolarHBondContact N-O 2.91Å; A124-I182 VanDerWaalsContact N-O 3.12Å; A124-I182 PolarHBondContact O-N 2.88Å; L126-I182 HydrophobicContact CD1-CD1 3.76Å; L126-I182 HydrophobicContact CG-CD1 4.45Å; K167-I182 WeakPolarHBondContact O-CA 3Å; I168-I182 HydrophobicContact CD1-CG1 4.47Å; I168-I182 HydrophobicContact CG1-CG1 4.23Å; I168-I182 HydrophobicContact CG1-CG2 4.4Å; I168-I182 HydrophobicContact CG2-CG1 4.39Å; I182-I185 HydrophobicContact CB-CD1 4.1Å; I182-I185 HydrophobicContact CB-CG1 4.17Å; I182-I185 HydrophobicContact CG2-CD1 4.21Å; I182-I185 HydrophobicContact CG2-CG1 3.75Å; I182-Y193 HydrophobicContact CD1-CD1 4.37Å; I182-Y193 HydrophobicContact CD1-CE1 3.64Å; I182-L208 HydrophobicContact CD1-CD2 4.2Å
183	K	84.5	Confident	79.8	Confident	64 Å²	64	55.3 Å²	55.3	28%	0.278	28%	0.277	S	S	.	.			trans	-86.1	147.3	179.8	-63.9	178.2	-177.4	165.3	0	111.8	K167 E169 M181	K167-K183 WeakPolarHBondContact CE-O 3.34Å; K167-K183 PolarHBondContact O-N 3.02Å; E169-K183 IonicContact OE1-NZ 2.65Å; E169-K183 PolarHBondContact OE1-NZ 2.87Å; E169-K183 WeakPolarHBondContact OE2-CE 3.2Å; E169-K183 IonicContact OE2-NZ 3.8Å; E169-K183 PolarHBondContact OE2-NZ 2.92Å; M181-K183 HydrophobicContact CE-CG 4.49Å; M181-K183 HydrophobicContact CG-CG 4.48Å; M181-K183 HydrophobicContact SD-CG 4.44Å
184	K	83	Confident	81.2	Confident	159 Å²	159	52.4 Å²	52.4	69%	0.691	26%	0.258	S	S	*	.	S	Bend	trans	48.6	62.6	172.7	-60.9	176.6	-175.5	165	0	112.6
185	I	80.6	Confident	82.5	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.229	C	C	.	.			trans	-69.5	135.5	-175.4	-74.2	175.3	0	0	0	111.3	V118 E120 D121 S122 A124 I182 D189 L208 V210	V118-I185 HydrophobicContact CG2-CD1 3.94Å; V118-I185 HydrophobicContact CG2-CG2 4.04Å; E120-I185 CarbonylContact C-O 3.58Å; E120-I185 WeakPolarHBondContact CA-O 3.46Å; D121-I185 PolarHBondContact N-O 3.48Å; S122-I185 WeakPolarHBondContact O-CB 3.16Å; S122-I185 PolarHBondContact O-N 2.89Å; A124-I185 HydrophobicContact CB-CD1 3.2Å; I182-I185 HydrophobicContact CB-CD1 4.1Å; I182-I185 HydrophobicContact CB-CG1 4.17Å; I182-I185 HydrophobicContact CG2-CD1 4.21Å; I182-I185 HydrophobicContact CG2-CG1 3.75Å; I185-D189 HydrophobicContact CG2-CB 4.21Å; I185-L208 HydrophobicContact CD1-CD2 4.39Å; I185-V210 HydrophobicContact CG2-CB 4.24Å; I185-V210 HydrophobicContact CG2-CG1 3.77Å; I185-V210 HydrophobicContact CG2-CG2 3.4Å
186	N	82.5	Confident	83.5	Confident	51 Å²	51	44.2 Å²	44.2	27%	0.273	21%	0.213	S	C	.	.			trans	-125.2	173.2	172.2	66.6	68.1	0	0	0	111.3	W188 D189	N186-W188 PolarHBondContact O-N 3.41Å; N186-W188 VanDerWaalsContact O-N 3.08Å; N186-W188 WeakPolarHBondContact OD1-CB 3.33Å; N186-W188 PolarHBondContact OD1-N 2.92Å; N186-D189 PolarHBondContact N-OD2 2.65Å; N186-D189 PolarHBondContact ND2-OD2 2.88Å; N186-D189 WeakPolarHBondContact O-CB 3.33Å; N186-D189 PolarHBondContact O-N 3.36Å
187	M	77.1	Confident	84.2	Confident	105 Å²	105	40.3 Å²	40.3	52%	0.517	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-53.2	-31.1	-177.6	-70.2	-158.7	166	0	0	115.7	E120 D189 A190 A212	E120-M187 PolarHBondContact OE1-N 2.87Å; M187-D189 PolarHBondContact O-N 2.81Å; M187-A190 WeakPolarHBondContact O-CB 3.35Å; M187-A190 PolarHBondContact O-N 2.84Å; M187-A212 HydrophobicContact CE-CB 3.46Å; M187-A212 VanDerWaalsContact CE-CB 3.46Å
188	W	81.1	Confident	84.3	Confident	228 Å²	228	40.4 Å²	40.4	86%	0.864	20%	0.202	S	C	*	.	G	3₁₀ helix	trans	-75.3	-13.9	-180	-54.6	89.8	0	0	0	113	K146 N186 A190	K146-W188 PolarHBondContact NZ-O 2.75Å; N186-W188 PolarHBondContact O-N 3.41Å; N186-W188 VanDerWaalsContact O-N 3.08Å; N186-W188 WeakPolarHBondContact OD1-CB 3.33Å; N186-W188 PolarHBondContact OD1-N 2.92Å; W188-A190 VanDerWaalsContact C-N 3.33Å
189	D	85.2	Confident	84.1	Confident	21 Å²	21	48.3 Å²	48.3	11%	0.112	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-77.9	-17.8	174.9	-62	-50.7	0	0	0	112.3	K146 K167 I185 N186 M187 Y193	K146-D189 PolarHBondContact NZ-O 2.87Å; K167-D189 IonicContact NZ-OD1 3.94Å; K167-D189 PolarHBondContact NZ-OD1 3.13Å; K167-D189 IonicContact NZ-OD2 2.66Å; K167-D189 PolarHBondContact NZ-OD2 3.41Å; I185-D189 HydrophobicContact CG2-CB 4.21Å; N186-D189 PolarHBondContact N-OD2 2.65Å; N186-D189 PolarHBondContact ND2-OD2 2.88Å; N186-D189 WeakPolarHBondContact O-CB 3.33Å; N186-D189 PolarHBondContact O-N 3.36Å; M187-D189 PolarHBondContact O-N 2.81Å; D189-Y193 WeakPolarHBondContact O-CE2 3.24Å; D189-Y193 PolarHBondContact O-OH 3.43Å
190	A	85.1	Confident	83.6	Confident	38 Å²	38	49.9 Å²	49.9	31%	0.314	26%	0.258	S	S	.	.			trans	-55.2	151.6	172.5	0	0	0	0	0	112.7	K146 M187 W188 L208 V210	K146-A190 WeakPolarHBondContact CE-O 3.42Å; K146-A190 PolarHBondContact NZ-O 3.35Å; M187-A190 WeakPolarHBondContact O-CB 3.35Å; M187-A190 PolarHBondContact O-N 2.84Å; W188-A190 VanDerWaalsContact C-N 3.33Å; A190-L208 WeakPolarHBondContact CA-O 3.48Å; A190-V210 HydrophobicContact CB-CB 4.41Å; A190-V210 HydrophobicContact CB-CG2 4Å
191	G	85.2	Confident	83.1	Confident	18 Å²	18	56.5 Å²	56.5	19%	0.186	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	139.2	-174.3	178.9	0	0	0	0	0	114.1	Q207 L208	G191-Q207 PolarHBondContact O-NE2 3.46Å; G191-L208 PolarHBondContact N-O 2.84Å; G191-L208 VanDerWaalsContact N-O 3.13Å; G191-L208 PolarHBondContact O-N 2.81Å
192	V	85.4	Confident	82.8	Confident	31 Å²	31	61.1 Å²	61.1	19%	0.188	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	129	177.6	-177.7	0	0	0	0	110.3	E147 I194 L206 Q207	E147-V192 HydrophobicContact CB-CB 4.01Å; E147-V192 PolarHBondContact N-O 3Å; V192-I194 HydrophobicContact CG1-CG1 4.09Å; V192-L206 CarbonylContact C-O 3.59Å; V192-L206 WeakPolarHBondContact CA-O 3.49Å; V192-Q207 VanDerWaalsContact CG2-OE1 3.26Å
193	Y	89.7	Confident	82.5	Confident	4 Å²	4	62.6 Å²	62.6	2%	0.016	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	135.7	173.2	-71.9	-103.6	0	0	0	109.4	L126 F145 K146 L156 I182 D189 S205 L206 L208	L126-Y193 HydrophobicContact CD1-CD1 3.59Å; L126-Y193 HydrophobicContact CD1-CD2 3.99Å; L126-Y193 HydrophobicContact CD1-CE1 4.16Å; L126-Y193 HydrophobicContact CD1-CG 3.5Å; L126-Y193 VanDerWaalsContact CD1-CG 3.5Å; F145-Y193 CarbonylContact O-C 3.59Å; F145-Y193 WeakPolarHBondContact O-CA 3.48Å; K146-Y193 HydrophobicContact CB-CD1 4.39Å; K146-Y193 HydrophobicContact CB-CE1 4.19Å; K146-Y193 HydrophobicContact CD-CE1 4.22Å; K146-Y193 HydrophobicContact CD-CE2 4.22Å; K146-Y193 HydrophobicContact CG-CE1 4.34Å; K146-Y193 HydrophobicContact CG-CE2 4.38Å; K146-Y193 PolarHBondContact NZ-OH 2.87Å; L156-Y193 HydrophobicContact CD1-CD1 3.69Å; L156-Y193 HydrophobicContact CD1-CE1 3.68Å; I182-Y193 HydrophobicContact CD1-CD1 4.37Å; I182-Y193 HydrophobicContact CD1-CE1 3.64Å; D189-Y193 WeakPolarHBondContact O-CE2 3.24Å; D189-Y193 PolarHBondContact O-OH 3.43Å; Y193-S205 WeakPolarHBondContact O-CA 3.32Å; Y193-L206 PolarHBondContact N-O 3.3Å; Y193-L206 PolarHBondContact O-N 3.15Å; Y193-L208 HydrophobicContact CD2-CB 3.94Å; Y193-L208 HydrophobicContact CE2-CB 3.83Å; Y193-L208 HydrophobicContact CE2-CD2 3.81Å; Y193-L208 HydrophobicContact CE2-CG 4.48Å
194	I	88	Confident	82.3	Confident	10 Å²	10	60.6 Å²	60.6	5%	0.051	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	128.8	-174	-52.8	177.8	0	0	0	108.2	W144 F145 V192 E196 R202	W144-I194 WeakPolarHBondContact CA-O 3.46Å; F145-I194 HydrophobicContact CB-CB 4.5Å; F145-I194 PolarHBondContact N-O 2.79Å; F145-I194 PolarHBondContact O-N 2.87Å; V192-I194 HydrophobicContact CG1-CG1 4.09Å; I194-E196 HydrophobicContact CG2-CG 3.91Å; I194-R202 HydrophobicContact CG2-CG 3.84Å
195	C	86.8	Confident	82.3	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	134.4	170.9	-175.8	0	0	0	0	109.6	C128 W144 L203 N204	C128-C195 HydrophobicContact CB-CB 3.57Å; C128-C195 WeakPolarHBondContact CB-SG 3.42Å; C128-C195 WeakPolarHBondContact SG-CB 3.25Å; C128-C195 CovalentContact SG-SG 2.02Å; C128-C195 PolarHBondContact SG-SG 3.28Å; W144-C195 HydrophobicContact CD2-CB 3.98Å; W144-C195 HydrophobicContact CE3-CB 4.01Å; W144-C195 HydrophobicContact CH2-CB 3.93Å; W144-C195 HydrophobicContact CZ2-CB 3.88Å; W144-C195 HydrophobicContact CZ3-CB 3.98Å; C195-L203 PolarHBondContact O-N 2.82Å; C195-N204 HydrophobicContact CB-CB 4.32Å; C195-N204 PolarHBondContact N-O 3.12Å; C195-N204 VanDerWaalsContact N-O 3.07Å; C195-N204 PolarHBondContact O-N 2.68Å
196	E	87.4	Confident	82.5	Confident	22 Å²	22	53.2 Å²	53.2	10%	0.103	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	149.8	-179	-53.3	-175.9	159.8	0	0	110.6	A142 H143 F145 K153 I194 K201	A142-E196 CarbonylContact C-O 3.56Å; A142-E196 WeakPolarHBondContact CA-O 3.3Å; A142-E196 WeakPolarHBondContact CB-O 3.33Å; H143-E196 PolarHBondContact N-O 2.67Å; H143-E196 PolarHBondContact O-N 2.92Å; F145-E196 HydrophobicContact CD2-CG 4.21Å; F145-E196 HydrophobicContact CE2-CB 4.25Å; F145-E196 HydrophobicContact CE2-CG 4.07Å; F145-E196 WeakPolarHBondContact CE2-OE2 3.34Å; K153-E196 IonicContact NZ-OE1 2.61Å; K153-E196 PolarHBondContact NZ-OE1 2.8Å; K153-E196 IonicContact NZ-OE2 3.44Å; K153-E196 PolarHBondContact NZ-OE2 2.9Å; I194-E196 HydrophobicContact CG2-CG 3.91Å; E196-K201 CarbonylContact C-O 3.45Å; E196-K201 VanDerWaalsContact CA-O 3.23Å; E196-K201 WeakPolarHBondContact CA-O 3.45Å
197	S	83.2	Confident	82.6	Confident	7 Å²	7	53.8 Å²	53.8	5%	0.049	27%	0.272	C	S	.	.			trans	-68.9	169.5	172	73.4	0	0	0	0	111.2	E199 G200 K201	S197-E199 WeakPolarHBondContact CB-OE2 3.4Å; S197-E199 PolarHBondContact O-N 3.39Å; S197-E199 PolarHBondContact OG-N 2.95Å; S197-E199 PolarHBondContact OG-OE2 3.01Å; S197-G200 WeakPolarHBondContact O-CA 3.49Å; S197-G200 PolarHBondContact O-N 2.8Å; S197-K201 PolarHBondContact N-O 3.35Å; S197-K201 WeakPolarHBondContact OG-CB 3.36Å; S197-K201 PolarHBondContact OG-N 3.08Å
198	A	79.4	Confident	83	Confident	44 Å²	44	48.8 Å²	48.8	36%	0.364	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-28.6	174.3	0	0	0	0	0	113.1	G200	A198-G200 VanDerWaalsContact C-N 3.26Å; A198-G200 PolarHBondContact O-N 2.96Å
199	E	77.8	Confident	83.1	Confident	167 Å²	167	41.1 Å²	41.1	78%	0.78	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.2	3.3	172.8	-41.3	82.7	179.7	0	0	113.8	S197	S197-E199 WeakPolarHBondContact CB-OE2 3.4Å; S197-E199 PolarHBondContact O-N 3.39Å; S197-E199 PolarHBondContact OG-N 2.95Å; S197-E199 PolarHBondContact OG-OE2 3.01Å
200	G	74.1	Confident	83	Confident	46 Å²	46	41.3 Å²	41.3	47%	0.474	22%	0.223	S	C	.	.			trans	80.8	14.2	179	0	0	0	0	0	115.1	S197 A198	S197-G200 WeakPolarHBondContact O-CA 3.49Å; S197-G200 PolarHBondContact O-N 2.8Å; A198-G200 VanDerWaalsContact C-N 3.26Å; A198-G200 PolarHBondContact O-N 2.96Å
201	K	76.3	Confident	82.4	Confident	138 Å²	138	45.4 Å²	45.4	60%	0.6	23%	0.234	S	C	*	.			trans	-75.1	124.8	173	-177.9	-176.7	174.8	-174.8	0	109.3	E196 S197 L203	E196-K201 CarbonylContact C-O 3.45Å; E196-K201 VanDerWaalsContact CA-O 3.23Å; E196-K201 WeakPolarHBondContact CA-O 3.45Å; S197-K201 PolarHBondContact N-O 3.35Å; S197-K201 WeakPolarHBondContact OG-CB 3.36Å; S197-K201 PolarHBondContact OG-N 3.08Å; K201-L203 PolarHBondContact O-N 2.99Å
202	R	79.1	Confident	81.2	Confident	130 Å²	130	46.7 Å²	46.7	49%	0.491	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	120.7	174.4	-166.3	175.5	-170.4	162.5	1.7	110.4	I194 S205	I194-R202 HydrophobicContact CG2-CG 3.84Å; R202-S205 VanDerWaalsContact NH2-CB 3.32Å; R202-S205 PolarHBondContact NH2-OG 2.6Å
203	L	80.4	Confident	79.7	Confident	32 Å²	32	49.4 Å²	49.4	17%	0.168	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	-43.4	-179.2	-63	174.1	0	0	0	111.4	L130 A142 C195 K201	L130-L203 HydrophobicContact CD2-CD1 3.6Å; L130-L203 HydrophobicContact CG-CD1 4.47Å; A142-L203 HydrophobicContact CB-CD1 4.28Å; C195-L203 PolarHBondContact O-N 2.82Å; K201-L203 PolarHBondContact O-N 2.99Å
204	N	80.6	Confident	77.8	Confident	22 Å²	22	54.1 Å²	54.1	12%	0.118	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	163.2	178	-157.3	3.2	0	0	0	112.3	P127 C195 L206	P127-N204 PolarHBondContact O-ND2 2.94Å; C195-N204 HydrophobicContact CB-CB 4.32Å; C195-N204 PolarHBondContact N-O 3.12Å; C195-N204 VanDerWaalsContact N-O 3.07Å; C195-N204 PolarHBondContact O-N 2.68Å; N204-L206 HydrophobicContact CB-CD1 4.25Å
205	S	83.3	Confident	76.1	Confident	4 Å²	4	59.6 Å²	59.6	3%	0.028	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	120.3	174.8	-178.2	0	0	0	0	109.7	F112 T114 Y193 R202	F112-S205 VanDerWaalsContact O-CB 3.31Å; F112-S205 WeakPolarHBondContact O-CB 2.96Å; F112-S205 VanDerWaalsContact O-O 3.11Å; T114-S205 PolarHBondContact N-O 2.73Å; Y193-S205 WeakPolarHBondContact O-CA 3.32Å; R202-S205 VanDerWaalsContact NH2-CB 3.32Å; R202-S205 PolarHBondContact NH2-OG 2.6Å
206	L	84.6	Confident	74.5	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	137.5	-174.9	-52.3	100	0	0	0	110.8	T114 V116 L126 P127 W144 V192 Y193 N204	T114-L206 HydrophobicContact CG2-CD2 3.95Å; T114-L206 CarbonylContact O-C 3.52Å; T114-L206 WeakPolarHBondContact O-CA 3.34Å; T114-L206 WeakPolarHBondContact O-CB 3.46Å; V116-L206 HydrophobicContact CG2-CD2 3.75Å; L126-L206 HydrophobicContact CB-CD1 4.46Å; L126-L206 HydrophobicContact CB-CD2 4.49Å; P127-L206 HydrophobicContact CG-CD2 4.02Å; W144-L206 HydrophobicContact CH2-CD1 3.61Å; W144-L206 HydrophobicContact CZ3-CD1 3.72Å; V192-L206 CarbonylContact C-O 3.59Å; V192-L206 WeakPolarHBondContact CA-O 3.49Å; Y193-L206 PolarHBondContact N-O 3.3Å; Y193-L206 PolarHBondContact O-N 3.15Å; N204-L206 HydrophobicContact CB-CD1 4.25Å
207	Q	84.7	Confident	73.1	Confident	62 Å²	62	66.5 Å²	66.5	29%	0.29	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	112.9	169	176.5	61.9	47.3	0	0	108.1	T114 T115 V116 G191 V192 E209	T114-Q207 PolarHBondContact O-N 2.59Å; T115-Q207 CarbonylContact C-O 3.54Å; T115-Q207 WeakPolarHBondContact CA-O 3.22Å; T115-Q207 HydrophobicContact CG2-CB 4.47Å; T115-Q207 HydrophobicContact CG2-CG 4.45Å; V116-Q207 PolarHBondContact N-O 3.02Å; G191-Q207 PolarHBondContact O-NE2 3.46Å; V192-Q207 VanDerWaalsContact CG2-OE1 3.26Å; Q207-E209 HydrophobicContact CG-CG 4.37Å; Q207-E209 PolarHBondContact O-N 2.61Å
208	L	85.9	Confident	72.2	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	113.9	170.6	-174.3	57.4	0	0	0	108.9	V116 V118 A124 L126 I182 I185 A190 G191 Y193 V210	V116-L208 HydrophobicContact CB-CD1 4.19Å; V116-L208 HydrophobicContact CG1-CD1 4.05Å; V118-L208 HydrophobicContact CG2-CD1 3.7Å; A124-L208 HydrophobicContact CB-CD1 3.94Å; L126-L208 HydrophobicContact CD2-CD1 4.36Å; I182-L208 HydrophobicContact CD1-CD2 4.2Å; I185-L208 HydrophobicContact CD1-CD2 4.39Å; A190-L208 WeakPolarHBondContact CA-O 3.48Å; G191-L208 PolarHBondContact N-O 2.84Å; G191-L208 VanDerWaalsContact N-O 3.13Å; G191-L208 PolarHBondContact O-N 2.81Å; Y193-L208 HydrophobicContact CD2-CB 3.94Å; Y193-L208 HydrophobicContact CE2-CB 3.83Å; Y193-L208 HydrophobicContact CE2-CD2 3.81Å; Y193-L208 HydrophobicContact CE2-CG 4.48Å; L208-V210 HydrophobicContact CG-CG2 4.3Å
209	E	83	Confident	71.2	Confident	68 Å²	68	73.3 Å²	73.3	32%	0.318	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	117.6	169	-77.9	-178.1	-152	0	0	109.6	T115 V116 K117 V118 Q207	T115-E209 HydrophobicContact CG2-CB 4.32Å; T115-E209 HydrophobicContact CG2-CG 3.78Å; T115-E209 VanDerWaalsContact CG2-OE1 3.24Å; T115-E209 WeakPolarHBondContact CG2-OE1 3.39Å; V116-E209 PolarHBondContact O-N 2.84Å; K117-E209 WeakPolarHBondContact CA-O 3.38Å; K117-E209 WeakPolarHBondContact CD-OE2 3.39Å; K117-E209 HydrophobicContact CG-CB 4.16Å; K117-E209 IonicContact NZ-OE1 2.65Å; K117-E209 PolarHBondContact NZ-OE1 3.01Å; K117-E209 IonicContact NZ-OE2 2.71Å; K117-E209 PolarHBondContact NZ-OE2 2.94Å; V118-E209 PolarHBondContact N-O 3.27Å; Q207-E209 HydrophobicContact CG-CG 4.37Å; Q207-E209 PolarHBondContact O-N 2.61Å
210	V	82.2	Confident	70.2	Confident	25 Å²	25	71.4 Å²	71.4	15%	0.152	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	113.9	173.6	-174.4	0	0	0	0	108.6	V118 E120 I185 A190 L208	V118-V210 HydrophobicContact CG2-CG2 4.37Å; E120-V210 HydrophobicContact CB-CG1 4.47Å; I185-V210 HydrophobicContact CG2-CB 4.24Å; I185-V210 HydrophobicContact CG2-CG1 3.77Å; I185-V210 HydrophobicContact CG2-CG2 3.4Å; A190-V210 HydrophobicContact CB-CB 4.41Å; A190-V210 HydrophobicContact CB-CG2 4Å; L208-V210 HydrophobicContact CG-CG2 4.3Å
211	K	74.2	Confident	69.5	Low	123 Å²	123	70.9 Å²	70.9	54%	0.535	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	128.1	167.2	-68.4	-177.3	178	179.7	0	108.5	V118 T119 E120	V118-K211 PolarHBondContact O-N 3.23Å; T119-K211 CarbonylContact C-O 3.43Å; T119-K211 WeakPolarHBondContact CA-O 3.23Å; E120-K211 PolarHBondContact N-O 3.19Å
212	A	59	Low	68.5	Low	46 Å²	46	69.5 Å²	69.5	38%	0.38	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-47.7	145.3	161.5	0	0	0	0	0	109.5	M187	M187-A212 HydrophobicContact CE-CB 3.46Å; M187-A212 VanDerWaalsContact CE-CB 3.46Å
213	L	54.7	Low	67.3	Low	88 Å²	88	70.9 Å²	70.9	46%	0.461	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-54.6	128.3	161.6	-131.3	78.3	0	0	0	107.2	K215	L213-K215 PolarHBondContact O-N 3.34Å
214	P	49.5	Very low	66	Low	103 Å²	103	77.7 Å²	77.7	67%	0.669	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-58.6	120	176.1	22.6	-31.5	0	0	0	108	S216	P214-S216 PolarHBondContact O-N 2.77Å
215	K	51.2	Low	65	Low	124 Å²	124	80.1 Å²	80.1	54%	0.539	41%	0.408	S	S	.	.			trans	-58.8	93.4	164.7	-78.2	-165.2	177.8	-160.8	0	106.4	L213 L217 N535 D536	L213-K215 PolarHBondContact O-N 3.34Å; K215-L217 PolarHBondContact O-N 3.03Å; K215-N535 PolarHBondContact NZ-O 3.33Å; K215-D536 IonicContact NZ-OD1 2.68Å; K215-D536 PolarHBondContact NZ-OD1 2.78Å
216	S	53	Low	64	Low	54 Å²	54	85.8 Å²	85.8	38%	0.378	43%	0.434	S	S	.	.			trans	-58.9	133.9	177.8	23.3	0	0	0	0	108.5	P214 C218 L221 N535	P214-S216 PolarHBondContact O-N 2.77Å; S216-C218 PolarHBondContact O-N 2.89Å; S216-L221 VanDerWaalsContact OG-CD1 3.24Å; S216-L221 WeakPolarHBondContact OG-CD1 3.34Å; S216-N535 PolarHBondContact O-ND2 2.64Å; S216-N535 VanDerWaalsContact O-ND2 3.09Å
217	L	58	Low	63.3	Low	114 Å²	114	90.6 Å²	90.6	60%	0.597	47%	0.465	S	S	*	.			trans	-63	139.7	175.7	-82.5	145.7	0	0	0	107.6	K215 K219 D220	K215-L217 PolarHBondContact O-N 3.03Å; L217-K219 PolarHBondContact O-N 2.91Å; L217-D220 PolarHBondContact O-N 3.14Å
218	C	64.7	Low	63.1	Low	7 Å²	7	88.9 Å²	88.9	5%	0.047	46%	0.46	C	S	.	.	G	3₁₀ helix	trans	-53.8	-26.2	179.2	-70.4	0	0	0	0	113.4	S216 D220 L221 I222 C529 N535	S216-C218 PolarHBondContact O-N 2.89Å; C218-D220 PolarHBondContact O-N 3.16Å; C218-L221 PolarHBondContact O-N 3.47Å; C218-L221 VanDerWaalsContact O-N 3.07Å; C218-I222 WeakPolarHBondContact O-CD1 3.3Å; C218-I222 VanDerWaalsContact O-CG1 3.25Å; C218-I222 WeakPolarHBondContact O-CG1 3.25Å; C218-I222 PolarHBondContact O-N 3.34Å; C218-I222 VanDerWaalsContact O-N 3.08Å; C218-C529 WeakPolarHBondContact CA-SG 3.38Å; C218-C529 HydrophobicContact CB-CB 3.42Å; C218-C529 VanDerWaalsContact CB-CB 3.42Å; C218-C529 WeakPolarHBondContact CB-SG 3.08Å; C218-C529 WeakPolarHBondContact SG-CA 3.42Å; C218-C529 WeakPolarHBondContact SG-CB 3.47Å; C218-C529 CovalentContact SG-SG 2.04Å; C218-C529 PolarHBondContact SG-SG 3.01Å; C218-N535 PolarHBondContact SG-OD1 3.34Å
219	K	58.5	Low	62.3	Low	187 Å²	187	98 Å²	98	81%	0.813	50%	0.502	S	S	*	.	G	3₁₀ helix	trans	-57.8	-27.3	173.6	-160.4	175.2	-176.6	-178.1	0	114.6	L217	L217-K219 PolarHBondContact O-N 2.91Å
220	D	57.2	Low	61.8	Low	126 Å²	126	98.8 Å²	98.8	67%	0.674	51%	0.509	S	S	*	.	G	3₁₀ helix	trans	-100.1	-2.8	179.2	-48.8	-42.5	0	0	0	112.4	L217 C218	L217-D220 PolarHBondContact O-N 3.14Å; C218-D220 PolarHBondContact O-N 3.16Å
221	L	58.3	Low	61.1	Low	35 Å²	35	101.1 Å²	101.1	18%	0.183	52%	0.518	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.7	-5.5	-174.5	-77	176.3	0	0	0	114.6	S216 C218 E223 T283 S527	S216-L221 VanDerWaalsContact OG-CD1 3.24Å; S216-L221 WeakPolarHBondContact OG-CD1 3.34Å; C218-L221 PolarHBondContact O-N 3.47Å; C218-L221 VanDerWaalsContact O-N 3.07Å; L221-E223 PolarHBondContact O-N 2.95Å; L221-T283 VanDerWaalsContact O-CG2 3.3Å; L221-T283 WeakPolarHBondContact O-CG2 3.29Å; L221-S527 WeakPolarHBondContact CD1-OG 2.98Å
222	I	56.3	Low	61.1	Low	109 Å²	109	101.5 Å²	101.5	56%	0.559	53%	0.526	S	S	*	.			trans	-73.7	76.5	170.9	-64.3	153.5	0	0	0	107.6	C218	C218-I222 WeakPolarHBondContact O-CD1 3.3Å; C218-I222 VanDerWaalsContact O-CG1 3.25Å; C218-I222 WeakPolarHBondContact O-CG1 3.25Å; C218-I222 PolarHBondContact O-N 3.34Å; C218-I222 VanDerWaalsContact O-N 3.08Å
223	E	53.9	Low	62.1	Low	160 Å²	160	100.9 Å²	100.9	75%	0.748	52%	0.519	S	S	*	.			trans	-70.2	122.6	157.1	-161	168	-147.5	0	0	106.1	L221 L225	L221-E223 PolarHBondContact O-N 2.95Å; E223-L225 PolarHBondContact O-N 2.64Å; E223-L225 VanDerWaalsContact O-N 3.16Å
224	E	53.7	Low	63.3	Low	175 Å²	175	108.2 Å²	108.2	82%	0.818	54%	0.541	S	S	*	.			trans	-59.4	123.2	176.4	-71.1	-172.6	157.2	0	0	108.5	Q226	E224-Q226 PolarHBondContact O-N 3.23Å
225	L	58.5	Low	65.2	Low	72 Å²	72	107.6 Å²	107.6	38%	0.377	54%	0.535	S	S	.	.			trans	-52.5	108.1	176	-113.9	129.3	0	0	0	108.1	E223 P227 L280	E223-L225 PolarHBondContact O-N 2.64Å; E223-L225 VanDerWaalsContact O-N 3.16Å; L225-P227 WeakPolarHBondContact O-CD 3.49Å; L225-P227 VanDerWaalsContact O-N 3.09Å; L225-L280 WeakPolarHBondContact CD1-O 3.38Å
226	Q	63	Low	67	Low	124 Å²	124	101.8 Å²	101.8	58%	0.579	51%	0.51	S	S	*	.			trans	-58.6	119.5	-175.1	-78.1	-171.9	-21.2	0	0	108.9	E224 N301	E224-Q226 PolarHBondContact O-N 3.23Å; Q226-N301 WeakPolarHBondContact CB-ND2 3.29Å; Q226-N301 PolarHBondContact OE1-ND2 3.04Å
227	P	68.7	Low	68.9	Low	100 Å²	100	101.8 Å²	101.8	65%	0.649	50%	0.504	S	S	*	.			trans	-63.1	146.5	-176.1	24.9	-33.7	0	0	0	110.1	L225 Q229	L225-P227 WeakPolarHBondContact O-CD 3.49Å; L225-P227 VanDerWaalsContact O-N 3.09Å; P227-Q229 PolarHBondContact O-N 3.21Å
228	C	80.8	Confident	70.6	Confident	27 Å²	27	99 Å²	99	18%	0.182	49%	0.493	C	S	.	.			trans	-60.9	107.5	172.8	174.1	0	0	0	0	109.6	D230 E231 C302	C228-D230 VanDerWaalsContact C-N 3.3Å; C228-D230 PolarHBondContact O-N 3.16Å; C228-E231 HydrophobicContact CB-CG 4.05Å; C228-E231 VanDerWaalsContact SG-CA 3.51Å; C228-E231 VanDerWaalsContact SG-CG 3.52Å; C228-E231 PolarHBondContact SG-N 3.4Å; C228-E231 VanDerWaalsContact SG-N 3.42Å; C228-C302 HydrophobicContact CB-CB 3.86Å; C228-C302 WeakPolarHBondContact CB-SG 3.46Å; C228-C302 WeakPolarHBondContact SG-CB 3.42Å; C228-C302 CovalentContact SG-SG 2.03Å; C228-C302 PolarHBondContact SG-SG 2.94Å
229	Q	70.1	Confident	72	Confident	190 Å²	190	100.3 Å²	100.3	89%	0.888	50%	0.5	S	S	*	.	S	Bend	trans	-70.8	-24	-172.9	-65	-171	-8.1	0	0	113.5	P227	P227-Q229 PolarHBondContact O-N 3.21Å
230	D	72.8	Confident	73.8	Confident	85 Å²	85	91.4 Å²	91.4	46%	0.455	46%	0.462	S	S	.	.			trans	-145.5	87.9	173.7	-175.7	6.6	0	0	0	111.3	C228 N232 S233	C228-D230 VanDerWaalsContact C-N 3.3Å; C228-D230 PolarHBondContact O-N 3.16Å; D230-N232 PolarHBondContact O-N 3.14Å; D230-N232 VanDerWaalsContact O-N 3.16Å; D230-N232 VanDerWaalsContact OD1-C 3.31Å; D230-N232 PolarHBondContact OD1-N 2.99Å; D230-S233 WeakPolarHBondContact O-CB 3.49Å; D230-S233 PolarHBondContact O-N 3.36Å; D230-S233 PolarHBondContact OD1-N 2.94Å; D230-S233 VanDerWaalsContact OD2-CA 3.27Å; D230-S233 WeakPolarHBondContact OD2-CA 3.44Å; D230-S233 WeakPolarHBondContact OD2-CB 3.37Å; D230-S233 PolarHBondContact OD2-N 2.64Å
231	E	67.9	Low	75.6	Confident	75 Å²	75	86.6 Å²	86.6	35%	0.35	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-18.2	175.8	-68.6	-161.2	147.8	0	0	114	C228 S305 Q306 K309	C228-E231 HydrophobicContact CB-CG 4.05Å; C228-E231 VanDerWaalsContact SG-CA 3.51Å; C228-E231 VanDerWaalsContact SG-CG 3.52Å; C228-E231 PolarHBondContact SG-N 3.4Å; C228-E231 VanDerWaalsContact SG-N 3.42Å; E231-S305 WeakPolarHBondContact OE1-CB 3.33Å; E231-S305 PolarHBondContact OE1-OG 3.35Å; E231-Q306 PolarHBondContact O-NE2 2.9Å; E231-K309 PolarHBondContact O-NZ 2.84Å
232	N	73.7	Confident	77.4	Confident	130 Å²	130	89.2 Å²	89.2	70%	0.695	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.6	13.5	-177.5	-63.3	-36.1	0	0	0	112	D230 R234 K309	D230-N232 PolarHBondContact O-N 3.14Å; D230-N232 VanDerWaalsContact O-N 3.16Å; D230-N232 VanDerWaalsContact OD1-C 3.31Å; D230-N232 PolarHBondContact OD1-N 2.99Å; N232-R234 PolarHBondContact O-N 3.21Å; N232-K309 PolarHBondContact OD1-NZ 3.44Å
233	S	79.1	Confident	79.3	Confident	34 Å²	34	84.2 Å²	84.2	24%	0.238	42%	0.421	C	S	.	.			trans	-54.4	131.6	170.6	171.4	0	0	0	0	109.8	D230 T235 A236	D230-S233 WeakPolarHBondContact O-CB 3.49Å; D230-S233 PolarHBondContact O-N 3.36Å; D230-S233 PolarHBondContact OD1-N 2.94Å; D230-S233 VanDerWaalsContact OD2-CA 3.27Å; D230-S233 WeakPolarHBondContact OD2-CA 3.44Å; D230-S233 WeakPolarHBondContact OD2-CB 3.37Å; D230-S233 PolarHBondContact OD2-N 2.64Å; S233-T235 PolarHBondContact O-N 3.01Å; S233-T235 PolarHBondContact OG-N 3.46Å; S233-T235 PolarHBondContact OG-OG1 3.24Å; S233-A236 PolarHBondContact O-N 3.46Å; S233-A236 VanDerWaalsContact O-N 3.08Å
234	R	81.4	Confident	81.4	Confident	242 Å²	242	76.9 Å²	76.9	91%	0.913	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-16.6	179.2	-63.4	-177.5	-179.3	-176.4	0.3	113.3	N232	N232-R234 PolarHBondContact O-N 3.21Å
235	T	87.5	Confident	83.5	Confident	89 Å²	89	68.6 Å²	68.6	55%	0.546	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-21.2	178.3	59.3	0	0	0	0	113.3	S233 E237 P238 T239	S233-T235 PolarHBondContact O-N 3.01Å; S233-T235 PolarHBondContact OG-N 3.46Å; S233-T235 PolarHBondContact OG-OG1 3.24Å; T235-E237 PolarHBondContact O-N 2.99Å; T235-P238 WeakPolarHBondContact O-CD 3.16Å; T235-T239 WeakPolarHBondContact O-CB 3.43Å; T235-T239 PolarHBondContact O-N 3.17Å; T235-T239 PolarHBondContact O-OG1 2.95Å
236	A	90.8	Very high	85.4	Confident	2 Å²	2	69.2 Å²	69.2	2%	0.017	35%	0.349	C	S	.	.	H	α-helix	trans	-67.4	-39.8	-169.7	0	0	0	0	0	113.6	S233 L240 F300 Q306	S233-A236 PolarHBondContact O-N 3.46Å; S233-A236 VanDerWaalsContact O-N 3.08Å; A236-L240 PolarHBondContact O-N 2.94Å; A236-F300 HydrophobicContact CB-CE2 3.84Å; A236-F300 HydrophobicContact CB-CZ 4.14Å; A236-F300 VanDerWaalsContact O-CZ 3.3Å; A236-F300 WeakPolarHBondContact O-CZ 3.24Å; A236-Q306 HydrophobicContact CB-CG 4.1Å
237	E	91.8	Very high	87	Confident	55 Å²	55	63.3 Å²	63.3	26%	0.257	32%	0.322	S	S	.	.	H	α-helix	trans	-67.9	-51.9	175.1	-179.4	-175.9	154.7	0	0	111.9	T235 T239 L240 Q241 K313	T235-E237 PolarHBondContact O-N 2.99Å; E237-T239 PolarHBondContact O-N 3.29Å; E237-L240 PolarHBondContact O-N 3.06Å; E237-L240 VanDerWaalsContact O-N 3.14Å; E237-Q241 HydrophobicContact CG-CG 4.49Å; E237-Q241 WeakPolarHBondContact O-CG 3.25Å; E237-Q241 PolarHBondContact O-N 3.26Å; E237-Q241 PolarHBondContact OE1-NE2 3.25Å; E237-K313 IonicContact OE1-NZ 2.78Å; E237-K313 PolarHBondContact OE1-NZ 3.45Å; E237-K313 IonicContact OE2-NZ 3.52Å; E237-K313 PolarHBondContact OE2-NZ 3.27Å
238	P	93.4	Very high	88.4	Confident	55 Å²	55	58.5 Å²	58.5	36%	0.357	29%	0.291	S	S	.	.	H	α-helix	trans	-53.9	-45.8	174.3	-29.9	35.6	0	0	0	114	T235 L240 Q241 E242	T235-P238 WeakPolarHBondContact O-CD 3.16Å; P238-L240 VanDerWaalsContact C-N 3.26Å; P238-L240 PolarHBondContact O-N 3.24Å; P238-Q241 PolarHBondContact O-N 3.25Å; P238-E242 WeakPolarHBondContact O-CG 3.48Å; P238-E242 PolarHBondContact O-N 3.07Å
239	T	94.8	Very high	89.2	Confident	34 Å²	34	57.8 Å²	57.8	21%	0.209	29%	0.285	C	S	.	.	H	α-helix	trans	-57	-39.9	178.4	-65.7	0	0	0	0	111.8	T235 E237 S243 P297 F300	T235-T239 WeakPolarHBondContact O-CB 3.43Å; T235-T239 PolarHBondContact O-N 3.17Å; T235-T239 PolarHBondContact O-OG1 2.95Å; E237-T239 PolarHBondContact O-N 3.29Å; T239-S243 WeakPolarHBondContact O-CB 3.43Å; T239-S243 PolarHBondContact O-N 3.5Å; T239-S243 PolarHBondContact O-OG 2.59Å; T239-P297 HydrophobicContact CG2-CG 3.77Å; T239-F300 HydrophobicContact CG2-CD1 4.27Å; T239-F300 HydrophobicContact CG2-CD2 4.08Å; T239-F300 HydrophobicContact CG2-CE1 4.46Å; T239-F300 HydrophobicContact CG2-CE2 4.29Å; T239-F300 HydrophobicContact CG2-CG 4.08Å; T239-F300 HydrophobicContact CG2-CZ 4.46Å
240	L	95.4	Very high	90.5	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-70.3	-40.6	174.9	-177.1	64.1	0	0	0	112.3	A236 E237 P238 E242 S243 M244 F300 Q306 M307 Q310	A236-L240 PolarHBondContact O-N 2.94Å; E237-L240 PolarHBondContact O-N 3.06Å; E237-L240 VanDerWaalsContact O-N 3.14Å; P238-L240 VanDerWaalsContact C-N 3.26Å; P238-L240 PolarHBondContact O-N 3.24Å; L240-E242 VanDerWaalsContact C-N 3.34Å; L240-E242 PolarHBondContact O-N 3.09Å; L240-S243 PolarHBondContact O-N 2.85Å; L240-M244 HydrophobicContact CD1-CG 4.05Å; L240-M244 HydrophobicContact CD1-SD 4.2Å; L240-M244 HydrophobicContact CD2-SD 4.16Å; L240-M244 HydrophobicContact CG-CG 4.17Å; L240-M244 HydrophobicContact CG-SD 3.85Å; L240-M244 WeakPolarHBondContact O-CB 3.32Å; L240-M244 VanDerWaalsContact O-CG 3.28Å; L240-M244 WeakPolarHBondContact O-CG 3.08Å; L240-M244 PolarHBondContact O-N 3.03Å; L240-F300 HydrophobicContact CB-CE1 4.39Å; L240-Q306 HydrophobicContact CB-CB 4.19Å; L240-Q306 HydrophobicContact CD2-CB 3.44Å; L240-Q306 VanDerWaalsContact CD2-CB 3.44Å; L240-Q306 HydrophobicContact CG-CB 4.4Å; L240-M307 HydrophobicContact CD1-CE 3.94Å; L240-M307 HydrophobicContact CD1-CG 4.44Å; L240-M307 HydrophobicContact CD1-SD 4.35Å; L240-M307 HydrophobicContact CD2-CG 4.03Å; L240-M307 HydrophobicContact CD2-SD 4.15Å; L240-Q310 HydrophobicContact CD2-CG 3.88Å
241	Q	95.3	Very high	91.6	Very high	26 Å²	26	47.5 Å²	47.5	12%	0.121	23%	0.233	C	C	.	.	H	α-helix	trans	-61.3	-42	178.3	-73.4	163.8	-37	0	0	112.1	E237 P238 T245 A587 V589	E237-Q241 HydrophobicContact CG-CG 4.49Å; E237-Q241 WeakPolarHBondContact O-CG 3.25Å; E237-Q241 PolarHBondContact O-N 3.26Å; E237-Q241 PolarHBondContact OE1-NE2 3.25Å; P238-Q241 PolarHBondContact O-N 3.25Å; Q241-T245 WeakPolarHBondContact O-CB 3.5Å; Q241-T245 PolarHBondContact O-N 3.46Å; Q241-T245 PolarHBondContact O-OG1 3.44Å; Q241-A587 PolarHBondContact NE2-O 2.92Å; Q241-V589 HydrophobicContact CB-CG1 4.29Å; Q241-V589 HydrophobicContact CG-CG1 3.99Å
242	E	95.8	Very high	93	Very high	89 Å²	89	44 Å²	44	42%	0.416	22%	0.217	S	C	.	.	H	α-helix	trans	-62.7	-52.1	172.4	-65.6	-169.3	148.3	0	0	110.9	P238 L240 M244 T245 E246 R481	P238-E242 WeakPolarHBondContact O-CG 3.48Å; P238-E242 PolarHBondContact O-N 3.07Å; L240-E242 VanDerWaalsContact C-N 3.34Å; L240-E242 PolarHBondContact O-N 3.09Å; E242-M244 VanDerWaalsContact C-N 3.3Å; E242-M244 PolarHBondContact O-N 3.39Å; E242-T245 PolarHBondContact O-N 3.33Å; E242-E246 PolarHBondContact O-N 2.83Å; E242-R481 IonicContact OE1-CZ 3.42Å; E242-R481 IonicContact OE1-NH1 2.73Å; E242-R481 PolarHBondContact OE1-NH1 2.86Å; E242-R481 IonicContact OE1-NH2 3.54Å
243	S	97.2	Very high	94.1	Very high	5 Å²	5	39.6 Å²	39.6	4%	0.035	20%	0.196	C	C	.	.	H	α-helix	trans	-54.1	-45	177.7	-54.7	0	0	0	0	112	T239 L240 T245 E246 F247 C295	T239-S243 WeakPolarHBondContact O-CB 3.43Å; T239-S243 PolarHBondContact O-N 3.5Å; T239-S243 PolarHBondContact O-OG 2.59Å; L240-S243 PolarHBondContact O-N 2.85Å; S243-T245 VanDerWaalsContact C-N 3.35Å; S243-T245 PolarHBondContact O-N 2.94Å; S243-E246 PolarHBondContact O-N 3.18Å; S243-F247 WeakPolarHBondContact O-CB 3.36Å; S243-F247 PolarHBondContact O-N 3.07Å; S243-C295 WeakPolarHBondContact CB-O 3.43Å; S243-C295 PolarHBondContact OG-O 3.36Å
244	M	97.4	Very high	94.8	Very high	5 Å²	5	39.5 Å²	39.5	3%	0.025	19%	0.192	C	C	.	.	H	α-helix	trans	-67.1	-33.6	178.8	-74.2	178.6	64.2	0	0	112.8	L240 E242 A248 V269 M307 V589	L240-M244 HydrophobicContact CD1-CG 4.05Å; L240-M244 HydrophobicContact CD1-SD 4.2Å; L240-M244 HydrophobicContact CD2-SD 4.16Å; L240-M244 HydrophobicContact CG-CG 4.17Å; L240-M244 HydrophobicContact CG-SD 3.85Å; L240-M244 WeakPolarHBondContact O-CB 3.32Å; L240-M244 VanDerWaalsContact O-CG 3.28Å; L240-M244 WeakPolarHBondContact O-CG 3.08Å; L240-M244 PolarHBondContact O-N 3.03Å; E242-M244 VanDerWaalsContact C-N 3.3Å; E242-M244 PolarHBondContact O-N 3.39Å; M244-A248 WeakPolarHBondContact O-CB 3.41Å; M244-A248 PolarHBondContact O-N 3.24Å; M244-V269 HydrophobicContact CE-CB 3.82Å; M244-V269 HydrophobicContact CE-CG2 3.48Å; M244-V269 VanDerWaalsContact CE-CG2 3.48Å; M244-M307 HydrophobicContact CG-CE 4.34Å; M244-M307 HydrophobicContact SD-CE 4.37Å; M244-M307 HydrophobicContact SD-SD 4.14Å; M244-V589 HydrophobicContact CB-CG1 4.04Å; M244-V589 HydrophobicContact CE-CB 3.97Å; M244-V589 HydrophobicContact CE-CG1 3.87Å; M244-V589 HydrophobicContact CE-CG2 4Å; M244-V589 HydrophobicContact SD-CG1 3.94Å
245	T	97.8	Very high	95.4	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.006	15%	0.15	C	C	.	.	H	α-helix	trans	-76.3	-40.6	177.1	-54	0	0	0	0	111.5	Q241 E242 S243 A248 M249 D477 R481 W583	Q241-T245 WeakPolarHBondContact O-CB 3.5Å; Q241-T245 PolarHBondContact O-N 3.46Å; Q241-T245 PolarHBondContact O-OG1 3.44Å; E242-T245 PolarHBondContact O-N 3.33Å; S243-T245 VanDerWaalsContact C-N 3.35Å; S243-T245 PolarHBondContact O-N 2.94Å; T245-A248 WeakPolarHBondContact O-CB 3.49Å; T245-A248 PolarHBondContact O-N 2.74Å; T245-M249 WeakPolarHBondContact O-CG 3.36Å; T245-M249 PolarHBondContact O-N 2.71Å; T245-D477 HydrophobicContact CG2-CB 4.13Å; T245-R481 HydrophobicContact CG2-CG 4.04Å; T245-W583 HydrophobicContact CG2-CH2 4.12Å; T245-W583 HydrophobicContact CG2-CZ3 4.26Å
246	E	97.9	Very high	95.7	Very high	85 Å²	85	24.8 Å²	24.8	40%	0.397	13%	0.127	S	C	.	.	H	α-helix	trans	-60.9	-48.5	171.8	-166.2	-164.7	141.8	0	0	111.1	E242 S243 A248 M249 K250 C295 D477	E242-E246 PolarHBondContact O-N 2.83Å; S243-E246 PolarHBondContact O-N 3.18Å; E246-A248 VanDerWaalsContact C-N 3.27Å; E246-A248 PolarHBondContact O-N 2.92Å; E246-M249 PolarHBondContact O-N 2.65Å; E246-M249 VanDerWaalsContact O-N 3.16Å; E246-K250 VanDerWaalsContact O-CB 3.3Å; E246-K250 WeakPolarHBondContact O-CB 3.31Å; E246-K250 PolarHBondContact O-N 2.99Å; E246-C295 HydrophobicContact CB-CB 3.93Å; E246-C295 HydrophobicContact CG-CB 4.04Å; E246-C295 PolarHBondContact OE1-SG 3.16Å; E246-C295 VanDerWaalsContact OE1-SG 3.42Å; E246-D477 HydrophobicContact CB-CB 4.14Å
247	F	98.3	Very high	95.8	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-55.1	-42.9	174.8	179.8	-115.2	0	0	0	112.2	S243 K250 L251 I271 L275 A293 L517	S243-F247 WeakPolarHBondContact O-CB 3.36Å; S243-F247 PolarHBondContact O-N 3.07Å; F247-K250 PolarHBondContact O-N 2.95Å; F247-L251 HydrophobicContact CD1-CD1 3.85Å; F247-L251 HydrophobicContact CD1-CG 4.43Å; F247-L251 HydrophobicContact CD2-CG 4.35Å; F247-L251 HydrophobicContact CE1-CD1 3.34Å; F247-L251 HydrophobicContact CE1-CG 4.05Å; F247-L251 HydrophobicContact CE2-CD1 4.18Å; F247-L251 HydrophobicContact CE2-CD2 4.15Å; F247-L251 HydrophobicContact CE2-CG 3.98Å; F247-L251 HydrophobicContact CG-CD1 4.47Å; F247-L251 HydrophobicContact CZ-CD1 3.53Å; F247-L251 HydrophobicContact CZ-CD2 3.97Å; F247-L251 HydrophobicContact CZ-CG 3.82Å; F247-L251 WeakPolarHBondContact O-CB 3.07Å; F247-L251 WeakPolarHBondContact O-CG 3.49Å; F247-L251 PolarHBondContact O-N 3.48Å; F247-I271 HydrophobicContact CE1-CB 4.24Å; F247-I271 HydrophobicContact CE1-CG2 4.12Å; F247-I271 HydrophobicContact CZ-CB 4.46Å; F247-I271 HydrophobicContact CZ-CG2 3.84Å; F247-L275 HydrophobicContact CE2-CD1 4.39Å; F247-L275 HydrophobicContact CZ-CD1 3.97Å; F247-A293 WeakPolarHBondContact CD2-O 3.25Å; F247-A293 WeakPolarHBondContact CE2-O 3.37Å; F247-L517 HydrophobicContact CE2-CD1 4.02Å
248	A	97.9	Very high	95.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-62.7	-44.1	177.5	0	0	0	0	0	113.3	M244 T245 E246 Y252 P268 P590 I593	M244-A248 WeakPolarHBondContact O-CB 3.41Å; M244-A248 PolarHBondContact O-N 3.24Å; T245-A248 WeakPolarHBondContact O-CB 3.49Å; T245-A248 PolarHBondContact O-N 2.74Å; E246-A248 VanDerWaalsContact C-N 3.27Å; E246-A248 PolarHBondContact O-N 2.92Å; A248-Y252 WeakPolarHBondContact O-CB 3.49Å; A248-Y252 PolarHBondContact O-N 2.98Å; A248-P268 HydrophobicContact CB-CB 3.39Å; A248-P268 HydrophobicContact CB-CG 3.45Å; A248-P268 VanDerWaalsContact CB-CG 3.45Å; A248-P590 HydrophobicContact CB-CB 4.17Å; A248-P590 HydrophobicContact CB-CG 3.42Å; A248-P590 VanDerWaalsContact CB-CG 3.42Å; A248-I593 HydrophobicContact CB-CD1 3.84Å
249	M	97.7	Very high	95.5	Very high	11 Å²	11	35.5 Å²	35.5	5%	0.054	17%	0.165	C	C	.	.	H	α-helix	trans	-71.2	-35	177.6	-63.3	-48.4	123.9	0	0	112	T245 E246 Y252 S253 M475 V480 I593	T245-M249 WeakPolarHBondContact O-CG 3.36Å; T245-M249 PolarHBondContact O-N 2.71Å; E246-M249 PolarHBondContact O-N 2.65Å; E246-M249 VanDerWaalsContact O-N 3.16Å; M249-Y252 PolarHBondContact O-N 3.18Å; M249-S253 VanDerWaalsContact O-CB 3.26Å; M249-S253 WeakPolarHBondContact O-CB 3.11Å; M249-S253 PolarHBondContact O-N 2.92Å; M249-M475 WeakPolarHBondContact CB-O 3.38Å; M249-M475 WeakPolarHBondContact CG-O 3.48Å; M249-M475 HydrophobicContact SD-CB 4.24Å; M249-M475 HydrophobicContact SD-CE 4.17Å; M249-V480 HydrophobicContact CE-CB 4.4Å; M249-V480 HydrophobicContact CE-CG1 4.1Å; M249-V480 HydrophobicContact CE-CG2 4.17Å; M249-V480 HydrophobicContact SD-CB 4.48Å; M249-V480 HydrophobicContact SD-CG2 3.79Å; M249-I593 HydrophobicContact CE-CD1 3.44Å; M249-I593 VanDerWaalsContact CE-CD1 3.44Å; M249-I593 HydrophobicContact SD-CD1 4.38Å
250	K	96.9	Very high	95.2	Very high	60 Å²	60	36.6 Å²	36.6	26%	0.261	17%	0.172	S	C	.	.	H	α-helix	trans	-63.3	-48.3	173.7	-170.6	175.6	-176.2	174.2	0	111.5	E246 F247 Y252 S253 H254 R292 C295 L517	E246-K250 VanDerWaalsContact O-CB 3.3Å; E246-K250 WeakPolarHBondContact O-CB 3.31Å; E246-K250 PolarHBondContact O-N 2.99Å; F247-K250 PolarHBondContact O-N 2.95Å; K250-Y252 PolarHBondContact O-N 3.37Å; K250-S253 PolarHBondContact O-N 3.5Å; K250-H254 PolarHBondContact O-CD2 3.3Å; K250-H254 PolarHBondContact O-N 3.08Å; K250-R292 PolarHBondContact NZ-O 2.77Å; K250-C295 VanDerWaalsContact CD-SG 3.55Å; K250-L517 HydrophobicContact CD-CD2 4.04Å; K250-L517 HydrophobicContact CG-CD2 3.99Å
251	L	96.5	Very high	95	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-55.7	-48.8	171.8	-76.5	176.8	0	0	0	111.6	F247 S253 H254 L255 F266 P268 I271 L513 L517	F247-L251 HydrophobicContact CD1-CD1 3.85Å; F247-L251 HydrophobicContact CD1-CG 4.43Å; F247-L251 HydrophobicContact CD2-CG 4.35Å; F247-L251 HydrophobicContact CE1-CD1 3.34Å; F247-L251 HydrophobicContact CE1-CG 4.05Å; F247-L251 HydrophobicContact CE2-CD1 4.18Å; F247-L251 HydrophobicContact CE2-CD2 4.15Å; F247-L251 HydrophobicContact CE2-CG 3.98Å; F247-L251 HydrophobicContact CG-CD1 4.47Å; F247-L251 HydrophobicContact CZ-CD1 3.53Å; F247-L251 HydrophobicContact CZ-CD2 3.97Å; F247-L251 HydrophobicContact CZ-CG 3.82Å; F247-L251 WeakPolarHBondContact O-CB 3.07Å; F247-L251 WeakPolarHBondContact O-CG 3.49Å; F247-L251 PolarHBondContact O-N 3.48Å; L251-S253 VanDerWaalsContact C-N 3.34Å; L251-S253 PolarHBondContact O-N 3.32Å; L251-H254 PolarHBondContact O-N 2.8Å; L251-L255 WeakPolarHBondContact O-CG 3.4Å; L251-L255 PolarHBondContact O-N 3.42Å; L251-F266 HydrophobicContact CB-CD2 4.36Å; L251-F266 HydrophobicContact CB-CE2 3.5Å; L251-F266 HydrophobicContact CB-CZ 3.8Å; L251-F266 HydrophobicContact CD1-CD2 3.96Å; L251-F266 HydrophobicContact CD1-CE2 3.58Å; L251-F266 HydrophobicContact CG-CE2 4.21Å; L251-P268 HydrophobicContact CD1-CB 4.41Å; L251-I271 HydrophobicContact CD1-CB 4.41Å; L251-I271 HydrophobicContact CD1-CD1 4.05Å; L251-I271 HydrophobicContact CD1-CG2 4.46Å; L251-L513 HydrophobicContact CD2-CD1 4.14Å; L251-L513 HydrophobicContact CD2-CD2 3.64Å; L251-L513 HydrophobicContact CD2-CG 3.87Å; L251-L517 HydrophobicContact CD2-CD1 3.83Å
252	Y	96.9	Very high	94.8	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.008	21%	0.208	C	C	.	.	H	α-helix	trans	-61.1	-42.2	179.1	-175.4	-118.6	0	0	0	112.1	A248 M249 K250 H254 L255 K256 I264 F266 E472 M475 V579 I593	A248-Y252 WeakPolarHBondContact O-CB 3.49Å; A248-Y252 PolarHBondContact O-N 2.98Å; M249-Y252 PolarHBondContact O-N 3.18Å; K250-Y252 PolarHBondContact O-N 3.37Å; Y252-H254 PolarHBondContact O-N 2.98Å; Y252-L255 PolarHBondContact O-N 3.37Å; Y252-K256 HydrophobicContact CE1-CD 4.33Å; Y252-K256 WeakPolarHBondContact O-CB 3.39Å; Y252-K256 WeakPolarHBondContact O-CG 3.46Å; Y252-K256 PolarHBondContact O-N 3.43Å; Y252-I264 HydrophobicContact CE2-CD1 4.4Å; Y252-F266 HydrophobicContact CD2-CE1 4.09Å; Y252-E472 HydrophobicContact CE1-CB 4.16Å; Y252-E472 HydrophobicContact CE1-CG 4.07Å; Y252-E472 WeakPolarHBondContact OH-CG 3.41Å; Y252-E472 PolarHBondContact OH-OE1 2.91Å; Y252-M475 HydrophobicContact CE1-CE 4.29Å; Y252-M475 HydrophobicContact CE1-SD 3.9Å; Y252-V579 WeakPolarHBondContact OH-CG2 3.48Å; Y252-I593 HydrophobicContact CD2-CG2 3.67Å; Y252-I593 HydrophobicContact CE2-CG2 3.97Å; Y252-I593 HydrophobicContact CG-CG2 4.12Å
253	S	95.7	Very high	94.7	Very high	36 Å²	36	40.6 Å²	40.6	25%	0.252	20%	0.199	S	C	.	.	H	α-helix	trans	-63.4	-36.3	178.1	-170.3	0	0	0	0	113	M249 K250 L251 K256 R257	M249-S253 VanDerWaalsContact O-CB 3.26Å; M249-S253 WeakPolarHBondContact O-CB 3.11Å; M249-S253 PolarHBondContact O-N 2.92Å; K250-S253 PolarHBondContact O-N 3.5Å; L251-S253 VanDerWaalsContact C-N 3.34Å; L251-S253 PolarHBondContact O-N 3.32Å; S253-K256 WeakPolarHBondContact O-CG 3.45Å; S253-R257 VanDerWaalsContact O-CD 3.32Å; S253-R257 WeakPolarHBondContact O-CD 3.32Å; S253-R257 VanDerWaalsContact O-CG 3.24Å; S253-R257 WeakPolarHBondContact O-CG 3.38Å
254	H	94.9	Very high	94.6	Very high	33 Å²	33	40.7 Å²	40.7	15%	0.153	20%	0.2	C	C	.	.	H	α-helix	trans	-69.5	-52.1	170.6	-70.7	-64.5	0	0	0	111.4	K250 L251 Y252 K256 R257 E258 L513 K516	K250-H254 PolarHBondContact O-CD2 3.3Å; K250-H254 PolarHBondContact O-N 3.08Å; L251-H254 PolarHBondContact O-N 2.8Å; Y252-H254 PolarHBondContact O-N 2.98Å; H254-K256 PolarHBondContact O-N 3.22Å; H254-R257 PolarHBondContact O-N 3.19Å; H254-R257 VanDerWaalsContact O-N 3.1Å; H254-E258 PolarHBondContact O-N 2.88Å; H254-L513 HydrophobicContact CB-CD1 3.64Å; H254-K516 PolarHBondContact CE1-O 2.64Å
255	L	94.3	Very high	94.4	Very high	7 Å²	7	40.5 Å²	40.5	4%	0.037	20%	0.199	C	C	.	.	H	α-helix	trans	-58.7	-44.9	-176.7	-70.6	171.1	0	0	0	112.3	L251 Y252 R257 E258 E259 I264 F266 P508 L513	L251-L255 WeakPolarHBondContact O-CG 3.4Å; L251-L255 PolarHBondContact O-N 3.42Å; Y252-L255 PolarHBondContact O-N 3.37Å; L255-R257 PolarHBondContact O-N 3.28Å; L255-R257 VanDerWaalsContact O-N 3.17Å; L255-E258 PolarHBondContact O-N 2.64Å; L255-E259 WeakPolarHBondContact O-CB 3.37Å; L255-E259 PolarHBondContact O-N 2.89Å; L255-I264 HydrophobicContact CB-CD1 4.19Å; L255-I264 HydrophobicContact CB-CG2 4.36Å; L255-I264 HydrophobicContact CD1-CG2 4.2Å; L255-F266 HydrophobicContact CD1-CB 4.41Å; L255-F266 HydrophobicContact CD1-CD1 3.4Å; L255-F266 HydrophobicContact CD1-CD2 4.44Å; L255-F266 HydrophobicContact CD1-CE1 3.65Å; L255-F266 HydrophobicContact CD1-CG 3.84Å; L255-F266 HydrophobicContact CD1-CZ 4.27Å; L255-P508 HydrophobicContact CD2-CB 3.8Å; L255-L513 HydrophobicContact CD1-CD2 4.32Å; L255-L513 HydrophobicContact CD2-CD1 4.13Å; L255-L513 HydrophobicContact CD2-CD2 3.99Å; L255-L513 HydrophobicContact CG-CD1 4.09Å; L255-L513 HydrophobicContact CG-CD2 4.2Å
256	K	93.6	Very high	94.2	Very high	14 Å²	14	40.5 Å²	40.5	6%	0.061	20%	0.199	C	C	.	.	H	α-helix	trans	-64.6	-19.8	179.5	76.1	177.6	-167.9	162.9	0	114.5	Y252 S253 H254 P260 I264 E472 D473	Y252-K256 HydrophobicContact CE1-CD 4.33Å; Y252-K256 WeakPolarHBondContact O-CB 3.39Å; Y252-K256 WeakPolarHBondContact O-CG 3.46Å; Y252-K256 PolarHBondContact O-N 3.43Å; S253-K256 WeakPolarHBondContact O-CG 3.45Å; H254-K256 PolarHBondContact O-N 3.22Å; K256-P260 VanDerWaalsContact O-CA 3.32Å; K256-P260 WeakPolarHBondContact O-CA 3.24Å; K256-I264 HydrophobicContact CB-CD1 4.16Å; K256-E472 HydrophobicContact CD-CB 3.81Å; K256-E472 HydrophobicContact CD-CG 4.5Å; K256-E472 PolarHBondContact NZ-O 2.84Å; K256-D473 VanDerWaalsContact NZ-N 3.15Å; K256-D473 IonicContact NZ-OD1 3.73Å; K256-D473 PolarHBondContact NZ-OD1 3.48Å
257	R	92.2	Very high	94.1	Very high	167 Å²	167	36.4 Å²	36.4	63%	0.63	18%	0.18	S	C	*	.	H	α-helix	trans	-86.4	-43.7	178.5	-72.1	172.8	-174.6	-174.2	2.2	112	S253 H254 L255 E259	S253-R257 VanDerWaalsContact O-CD 3.32Å; S253-R257 WeakPolarHBondContact O-CD 3.32Å; S253-R257 VanDerWaalsContact O-CG 3.24Å; S253-R257 WeakPolarHBondContact O-CG 3.38Å; H254-R257 PolarHBondContact O-N 3.19Å; H254-R257 VanDerWaalsContact O-N 3.1Å; L255-R257 PolarHBondContact O-N 3.28Å; L255-R257 VanDerWaalsContact O-N 3.17Å; R257-E259 VanDerWaalsContact C-N 3.34Å
258	E	89.5	Confident	93.9	Very high	69 Å²	69	36.5 Å²	36.5	32%	0.322	18%	0.18	S	C	.	.	H	α-helix	trans	-72	-33.8	177.5	-51.4	-63.7	137.8	0	0	111	H254 L255 P260 M512 K516	H254-E258 PolarHBondContact O-N 2.88Å; L255-E258 PolarHBondContact O-N 2.64Å; E258-P260 VanDerWaalsContact C-CD 3.5Å; E258-P260 WeakPolarHBondContact O-CD 3.38Å; E258-M512 HydrophobicContact CB-CE 3.7Å; E258-M512 HydrophobicContact CB-SD 4.2Å; E258-M512 HydrophobicContact CG-CE 3.65Å; E258-M512 HydrophobicContact CG-SD 3.99Å; E258-K516 VanDerWaalsContact CD-NZ 3.25Å; E258-K516 VanDerWaalsContact OE1-CE 3.25Å; E258-K516 WeakPolarHBondContact OE1-CE 3.32Å; E258-K516 IonicContact OE1-NZ 2.76Å; E258-K516 PolarHBondContact OE1-NZ 3.32Å; E258-K516 IonicContact OE2-NZ 2.67Å; E258-K516 PolarHBondContact OE2-NZ 3.4Å; E258-K516 VanDerWaalsContact OE2-NZ 3.14Å
259	E	89.2	Confident	93.7	Very high	102 Å²	102	36.6 Å²	36.6	48%	0.477	18%	0.181	S	C	.	.	S	Bend	trans	-123.4	70.5	-175.2	-77.5	-69.7	168.7	0	0	110.1	L255 R257 S262 R595	L255-E259 WeakPolarHBondContact O-CB 3.37Å; L255-E259 PolarHBondContact O-N 2.89Å; R257-E259 VanDerWaalsContact C-N 3.34Å; E259-S262 WeakPolarHBondContact CB-OG 3.48Å; E259-S262 WeakPolarHBondContact OE2-CB 3.45Å; E259-S262 PolarHBondContact OE2-OG 3.38Å; E259-R595 PolarHBondContact O-NH2 3.45Å
260	P	89.5	Confident	93.5	Very high	56 Å²	56	36.1 Å²	36.1	36%	0.364	18%	0.178	S	C	.	.	S	Bend	trans	-79.2	-21.1	-168.3	29.5	-36	0	0	0	115.4	K256 E258 R595	K256-P260 VanDerWaalsContact O-CA 3.32Å; K256-P260 WeakPolarHBondContact O-CA 3.24Å; E258-P260 VanDerWaalsContact C-CD 3.5Å; E258-P260 WeakPolarHBondContact O-CD 3.38Å; P260-R595 PolarHBondContact O-NH2 3.17Å
261	L	90	Very high	93.4	Very high	121 Å²	121	33.3 Å²	33.3	63%	0.634	17%	0.166	S	C	*	.	S	Bend	trans	-119.7	9.6	-173	-63.7	178.5	0	0	0	114	L465 L597	L261-L465 HydrophobicContact CD2-CD1 4.31Å; L261-L465 HydrophobicContact CD2-CD2 3.58Å; L261-L597 VanDerWaalsContact C-CD1 3.47Å
262	S	91.4	Very high	93.3	Very high	35 Å²	35	33.4 Å²	33.4	25%	0.245	17%	0.167	C	C	.	.	S	Bend	trans	-112.2	165.3	-178.6	55.1	0	0	0	0	112.3	E259 R595 L597	E259-S262 WeakPolarHBondContact CB-OG 3.48Å; E259-S262 WeakPolarHBondContact OE2-CB 3.45Å; E259-S262 PolarHBondContact OE2-OG 3.38Å; S262-R595 PolarHBondContact O-NE 3.1Å; S262-R595 PolarHBondContact O-NH2 2.87Å; S262-L597 WeakPolarHBondContact O-CD1 3.33Å
263	N	93.6	Very high	93.1	Very high	43 Å²	43	33.9 Å²	33.9	23%	0.23	17%	0.171	C	C	.	.			trans	-69	141.1	170.3	-69.1	-24.4	0	0	0	110	L504 R595 M596 L597 E598	N263-L504 HydrophobicContact CB-CD2 3.83Å; N263-R595 WeakPolarHBondContact CA-O 3.13Å; N263-M596 VanDerWaalsContact ND2-CE 3.34Å; N263-M596 WeakPolarHBondContact ND2-CE 3.03Å; N263-M596 WeakPolarHBondContact OD1-CE 3.15Å; N263-L597 PolarHBondContact OD1-N 2.81Å; N263-E598 PolarHBondContact ND2-O 3.34Å; N263-E598 PolarHBondContact OD1-N 2.71Å
264	I	94.4	Very high	93	Very high	8 Å²	8	32.5 Å²	32.5	4%	0.041	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	139.8	175.6	-62.9	173	0	0	0	107.9	Y252 L255 K256 F266 G594 R595	Y252-I264 HydrophobicContact CE2-CD1 4.4Å; L255-I264 HydrophobicContact CB-CD1 4.19Å; L255-I264 HydrophobicContact CB-CG2 4.36Å; L255-I264 HydrophobicContact CD1-CG2 4.2Å; K256-I264 HydrophobicContact CB-CD1 4.16Å; I264-F266 HydrophobicContact CG2-CD1 3.9Å; I264-F266 HydrophobicContact CG2-CE1 4.2Å; I264-G594 CarbonylContact O-C 3.59Å; I264-G594 WeakPolarHBondContact O-CA 3.43Å; I264-R595 HydrophobicContact CB-CB 4.04Å; I264-R595 PolarHBondContact N-O 3.42Å; I264-R595 VanDerWaalsContact N-O 3.11Å; I264-R595 PolarHBondContact O-N 2.82Å
265	L	93.6	Very high	93.1	Very high	1 Å²	1	31 Å²	31	1%	0.005	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	131.2	161.7	-175.6	75	0	0	0	109.1	L504 V506 A546 L548 L580 F592 I593	L265-L504 HydrophobicContact CB-CB 4.13Å; L265-L504 HydrophobicContact CB-CD1 4.42Å; L265-L504 HydrophobicContact CD1-CD1 4.28Å; L265-L504 HydrophobicContact CD2-CB 3.73Å; L265-L504 WeakPolarHBondContact CD2-O 3.39Å; L265-L504 HydrophobicContact CG-CB 4.33Å; L265-V506 HydrophobicContact CB-CB 4.01Å; L265-V506 HydrophobicContact CB-CG2 3.9Å; L265-A546 HydrophobicContact CD2-CB 3.78Å; L265-A546 WeakPolarHBondContact CD2-O 3.45Å; L265-A546 HydrophobicContact CG-CB 3.86Å; L265-L548 HydrophobicContact CD1-CB 3.97Å; L265-L548 HydrophobicContact CD1-CD1 4.26Å; L265-L548 HydrophobicContact CD2-CB 3.66Å; L265-L548 HydrophobicContact CG-CB 4.49Å; L265-L580 HydrophobicContact CD1-CD1 4.44Å; L265-F592 HydrophobicContact CD1-CD1 4.03Å; L265-F592 HydrophobicContact CG-CD1 4.28Å; L265-I593 WeakPolarHBondContact CA-O 3.31Å
266	F	94.6	Very high	93.1	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	167.4	169.3	68.6	-76.4	0	0	0	110.4	L251 Y252 L255 I264 P268 I271 P508 F592 I593	L251-F266 HydrophobicContact CB-CD2 4.36Å; L251-F266 HydrophobicContact CB-CE2 3.5Å; L251-F266 HydrophobicContact CB-CZ 3.8Å; L251-F266 HydrophobicContact CD1-CD2 3.96Å; L251-F266 HydrophobicContact CD1-CE2 3.58Å; L251-F266 HydrophobicContact CG-CE2 4.21Å; Y252-F266 HydrophobicContact CD2-CE1 4.09Å; L255-F266 HydrophobicContact CD1-CB 4.41Å; L255-F266 HydrophobicContact CD1-CD1 3.4Å; L255-F266 HydrophobicContact CD1-CD2 4.44Å; L255-F266 HydrophobicContact CD1-CE1 3.65Å; L255-F266 HydrophobicContact CD1-CG 3.84Å; L255-F266 HydrophobicContact CD1-CZ 4.27Å; I264-F266 HydrophobicContact CG2-CD1 3.9Å; I264-F266 HydrophobicContact CG2-CE1 4.2Å; F266-P268 HydrophobicContact CD2-CG 4.14Å; F266-P268 HydrophobicContact CE2-CB 4.16Å; F266-P268 HydrophobicContact CE2-CG 3.61Å; F266-P268 HydrophobicContact CZ-CG 4.32Å; F266-I271 HydrophobicContact CB-CD1 4.4Å; F266-I271 HydrophobicContact CD2-CD1 4.08Å; F266-P508 HydrophobicContact CB-CG 4.47Å; F266-F592 WeakPolarHBondContact O-CA 3.25Å; F266-I593 HydrophobicContact CE1-CB 3.83Å; F266-I593 HydrophobicContact CE1-CG2 4.18Å; F266-I593 HydrophobicContact CZ-CB 3.95Å; F266-I593 HydrophobicContact CZ-CD1 4.11Å; F266-I593 HydrophobicContact CZ-CG1 4.45Å; F266-I593 PolarHBondContact N-O 2.89Å; F266-I593 VanDerWaalsContact N-O 3.08Å; F266-I593 PolarHBondContact O-N 2.9Å
267	S	94.8	Very high	93.2	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.149	C	C	.	.			trans	-113.5	107.1	173	179.9	0	0	0	0	110.4	V269 S270 I271 H544 L591	S267-V269 PolarHBondContact O-N 3.42Å; S267-V269 WeakPolarHBondContact OG-CG1 3.28Å; S267-S270 PolarHBondContact O-N 3.21Å; S267-S270 VanDerWaalsContact OG-CB 3.31Å; S267-S270 WeakPolarHBondContact OG-CB 3.46Å; S267-I271 WeakPolarHBondContact O-CG1 3.38Å; S267-I271 PolarHBondContact O-N 3.46Å; S267-H544 WeakPolarHBondContact CB-NE2 3.47Å; S267-H544 PolarHBondContact N-NE2 3.36Å; S267-L591 VanDerWaalsContact CA-O 3.32Å; S267-L591 WeakPolarHBondContact CA-O 3.47Å; S267-L591 VanDerWaalsContact CB-O 3.28Å; S267-L591 WeakPolarHBondContact CB-O 3.43Å; S267-L591 PolarHBondContact OG-O 3.3Å
268	P	95.4	Very high	93.3	Very high	1 Å²	1	22 Å²	22	1%	0.006	12%	0.119	C	C	.	.	H	α-helix	trans	-58.1	-48.9	180	-18.5	26.2	0	0	0	112.2	A248 L251 F266 S270 I271 S272 P590 I593	A248-P268 HydrophobicContact CB-CB 3.39Å; A248-P268 HydrophobicContact CB-CG 3.45Å; A248-P268 VanDerWaalsContact CB-CG 3.45Å; L251-P268 HydrophobicContact CD1-CB 4.41Å; F266-P268 HydrophobicContact CD2-CG 4.14Å; F266-P268 HydrophobicContact CE2-CB 4.16Å; F266-P268 HydrophobicContact CE2-CG 3.61Å; F266-P268 HydrophobicContact CZ-CG 4.32Å; P268-S270 VanDerWaalsContact C-N 3.25Å; P268-S270 PolarHBondContact O-N 3.05Å; P268-I271 PolarHBondContact O-N 3.42Å; P268-S272 PolarHBondContact O-N 3.08Å; P268-S272 PolarHBondContact O-OG 3.45Å; P268-P590 HydrophobicContact CB-CG 4.47Å; P268-P590 HydrophobicContact CG-CB 4.3Å; P268-P590 HydrophobicContact CG-CG 4.34Å; P268-I593 HydrophobicContact CG-CD1 3.98Å; P268-I593 HydrophobicContact CG-CG1 4.08Å
269	V	93.2	Very high	93.6	Very high	3 Å²	3	18.7 Å²	18.7	2%	0.018	10%	0.104	C	C	.	.	H	α-helix	trans	-58	-37.1	-179.6	58.9	0	0	0	0	113.2	M244 S267 S272 A273 M314 L318 L591	M244-V269 HydrophobicContact CE-CB 3.82Å; M244-V269 HydrophobicContact CE-CG2 3.48Å; M244-V269 VanDerWaalsContact CE-CG2 3.48Å; S267-V269 PolarHBondContact O-N 3.42Å; S267-V269 WeakPolarHBondContact OG-CG1 3.28Å; V269-S272 WeakPolarHBondContact CA-OG 3.36Å; V269-S272 PolarHBondContact O-OG 3.4Å; V269-A273 VanDerWaalsContact O-CB 3.26Å; V269-A273 WeakPolarHBondContact O-CB 3.38Å; V269-A273 PolarHBondContact O-N 2.91Å; V269-M314 HydrophobicContact CG2-CE 3.59Å; V269-M314 HydrophobicContact CG2-SD 3.77Å; V269-L318 HydrophobicContact CG1-CD2 3.83Å; V269-L591 HydrophobicContact CG1-CD2 4.22Å
270	S	92.4	Very high	93.8	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-73.8	-40.1	-178.3	-153.8	0	0	0	0	110.6	S267 P268 I274 N391 H544	S267-S270 PolarHBondContact O-N 3.21Å; S267-S270 VanDerWaalsContact OG-CB 3.31Å; S267-S270 WeakPolarHBondContact OG-CB 3.46Å; P268-S270 VanDerWaalsContact C-N 3.25Å; P268-S270 PolarHBondContact O-N 3.05Å; S270-I274 PolarHBondContact O-N 3.4Å; S270-N391 WeakPolarHBondContact CB-OD1 3.33Å; S270-N391 PolarHBondContact O-ND2 3.01Å; S270-N391 PolarHBondContact OG-ND2 2.83Å; S270-N391 PolarHBondContact OG-OD1 3.37Å; S270-H544 WeakPolarHBondContact CB-NE2 3.36Å
271	I	95.2	Very high	93.8	Very high	1 Å²	1	11.3 Å²	11.3	1%	0.005	6%	0.064	C	C	.	.	H	α-helix	trans	-68.4	-41.8	172.8	-60.3	170	0	0	0	111.3	F247 L251 F266 S267 P268 A273 I274 L275 M510 H544	F247-I271 HydrophobicContact CE1-CB 4.24Å; F247-I271 HydrophobicContact CE1-CG2 4.12Å; F247-I271 HydrophobicContact CZ-CB 4.46Å; F247-I271 HydrophobicContact CZ-CG2 3.84Å; L251-I271 HydrophobicContact CD1-CB 4.41Å; L251-I271 HydrophobicContact CD1-CD1 4.05Å; L251-I271 HydrophobicContact CD1-CG2 4.46Å; F266-I271 HydrophobicContact CB-CD1 4.4Å; F266-I271 HydrophobicContact CD2-CD1 4.08Å; S267-I271 WeakPolarHBondContact O-CG1 3.38Å; S267-I271 PolarHBondContact O-N 3.46Å; P268-I271 PolarHBondContact O-N 3.42Å; I271-A273 VanDerWaalsContact C-N 3.3Å; I271-A273 PolarHBondContact O-N 3.41Å; I271-I274 VanDerWaalsContact O-CG2 3.26Å; I271-I274 WeakPolarHBondContact O-CG2 3.48Å; I271-I274 PolarHBondContact O-N 3.28Å; I271-L275 HydrophobicContact CG2-CD1 4.07Å; I271-L275 HydrophobicContact CG2-CG 4.46Å; I271-L275 WeakPolarHBondContact O-CG 3.37Å; I271-L275 PolarHBondContact O-N 3.04Å; I271-L275 VanDerWaalsContact O-N 3.11Å; I271-M510 HydrophobicContact CD1-CE 4.11Å; I271-M510 HydrophobicContact CD1-SD 3.94Å; I271-M510 HydrophobicContact CG1-CE 4.24Å; I271-M510 HydrophobicContact CG1-SD 4.49Å; I271-M510 HydrophobicContact CG2-CE 3.73Å; I271-H544 HydrophobicContact CD1-CB 4.45Å; I271-H544 HydrophobicContact CG1-CB 4.35Å
272	S	95.1	Very high	93.9	Very high	2 Å²	2	5.8 Å²	5.8	1%	0.014	4%	0.036	C	C	.	.	H	α-helix	trans	-65.4	-36.3	177.8	62.2	0	0	0	0	111.5	P268 V269 S276	P268-S272 PolarHBondContact O-N 3.08Å; P268-S272 PolarHBondContact O-OG 3.45Å; V269-S272 WeakPolarHBondContact CA-OG 3.36Å; V269-S272 PolarHBondContact O-OG 3.4Å; S272-S276 WeakPolarHBondContact O-CB 3.44Å; S272-S276 PolarHBondContact O-N 2.96Å
273	A	93.1	Very high	93.8	Very high	12 Å²	12	4.8 Å²	4.8	10%	0.099	3%	0.029	C	C	.	.	H	α-helix	trans	-62	-46.5	176.5	0	0	0	0	0	112.3	V269 I271 S276 H277 Y344	V269-A273 VanDerWaalsContact O-CB 3.26Å; V269-A273 WeakPolarHBondContact O-CB 3.38Å; V269-A273 PolarHBondContact O-N 2.91Å; I271-A273 VanDerWaalsContact C-N 3.3Å; I271-A273 PolarHBondContact O-N 3.41Å; A273-S276 PolarHBondContact O-N 2.57Å; A273-H277 WeakPolarHBondContact O-CB 3.45Å; A273-H277 PolarHBondContact O-N 2.65Å; A273-Y344 WeakPolarHBondContact O-CE1 3.3Å
274	I	93.9	Very high	93.4	Very high	7 Å²	7	4.4 Å²	4.4	4%	0.036	4%	0.035	C	C	.	.	H	α-helix	trans	-71.6	-34.1	-180	-172.2	61.5	0	0	0	112.8	S270 I271 H277 L278 I324 L389 N391	S270-I274 PolarHBondContact O-N 3.4Å; I271-I274 VanDerWaalsContact O-CG2 3.26Å; I271-I274 WeakPolarHBondContact O-CG2 3.48Å; I271-I274 PolarHBondContact O-N 3.28Å; I274-H277 PolarHBondContact O-N 3.19Å; I274-L278 PolarHBondContact O-N 3.4Å; I274-I324 HydrophobicContact CD1-CD1 4.45Å; I274-I324 HydrophobicContact CD1-CG1 3.65Å; I274-L389 HydrophobicContact CD1-CD2 3.99Å; I274-L389 HydrophobicContact CG1-CB 3.9Å; I274-L389 HydrophobicContact CG1-CD1 4.35Å; I274-L389 HydrophobicContact CG1-CD2 3.97Å; I274-L389 HydrophobicContact CG1-CG 4.27Å; I274-N391 HydrophobicContact CG2-CB 4.29Å
275	L	96.1	Very high	93	Very high	1 Å²	1	10.1 Å²	10.1	1%	0.005	7%	0.065	C	C	.	.	H	α-helix	trans	-71.2	-36	173.1	-69.1	179.1	0	0	0	112.5	F247 I271 H277 L278 L279 L290 L294 L389 L514 L519	F247-L275 HydrophobicContact CE2-CD1 4.39Å; F247-L275 HydrophobicContact CZ-CD1 3.97Å; I271-L275 HydrophobicContact CG2-CD1 4.07Å; I271-L275 HydrophobicContact CG2-CG 4.46Å; I271-L275 WeakPolarHBondContact O-CG 3.37Å; I271-L275 PolarHBondContact O-N 3.04Å; I271-L275 VanDerWaalsContact O-N 3.11Å; L275-H277 VanDerWaalsContact C-N 3.34Å; L275-L278 PolarHBondContact O-N 3.21Å; L275-L279 PolarHBondContact O-N 3.31Å; L275-L290 HydrophobicContact CB-CD2 4.44Å; L275-L290 HydrophobicContact CD2-CD2 4.13Å; L275-L294 HydrophobicContact CB-CD1 4.49Å; L275-L294 HydrophobicContact CB-CD2 3.96Å; L275-L294 HydrophobicContact CB-CG 4.36Å; L275-L389 HydrophobicContact CD2-CD1 4.07Å; L275-L514 HydrophobicContact CD1-CD2 3.86Å; L275-L514 HydrophobicContact CD2-CD2 3.73Å; L275-L514 HydrophobicContact CG-CD2 4.34Å; L275-L519 HydrophobicContact CD1-CD1 4.27Å; L275-L519 HydrophobicContact CD2-CD1 4.27Å
276	S	95.2	Very high	92.8	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-71.4	-29.4	173.5	-176.7	0	0	0	0	112	S272 A273 L279 V303 H304 Y344	S272-S276 WeakPolarHBondContact O-CB 3.44Å; S272-S276 PolarHBondContact O-N 2.96Å; A273-S276 PolarHBondContact O-N 2.57Å; S276-L279 WeakPolarHBondContact O-CB 3.47Å; S276-L279 PolarHBondContact O-N 2.71Å; S276-V303 WeakPolarHBondContact OG-CG1 3.48Å; S276-H304 PolarHBondContact O-CE1 2.81Å; S276-H304 VanDerWaalsContact O-CE1 3.23Å; S276-H304 PolarHBondContact O-ND1 3.26Å; S276-Y344 VanDerWaalsContact C-OH 3.26Å; S276-Y344 PolarHBondContact O-OH 3.29Å; S276-Y344 VanDerWaalsContact O-OH 3.06Å; S276-Y344 PolarHBondContact OG-OH 2.81Å
277	H	94.6	Very high	92.6	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-66.4	-46.1	168.8	-170.9	179.2	0	0	0	110.6	A273 I274 L275 L279 L280 I324 S340 Y344 A346	A273-H277 WeakPolarHBondContact O-CB 3.45Å; A273-H277 PolarHBondContact O-N 2.65Å; I274-H277 PolarHBondContact O-N 3.19Å; L275-H277 VanDerWaalsContact C-N 3.34Å; H277-L279 VanDerWaalsContact C-N 3.25Å; H277-L279 PolarHBondContact O-N 2.93Å; H277-L280 WeakPolarHBondContact O-CB 3.32Å; H277-L280 PolarHBondContact O-N 3.07Å; H277-I324 HydrophobicContact CB-CD1 4.39Å; H277-S340 WeakPolarHBondContact NE2-CB 3.21Å; H277-S340 PolarHBondContact NE2-OG 3.11Å; H277-Y344 HydrophobicContact CB-CD1 3.94Å; H277-Y344 HydrophobicContact CB-CD2 4.05Å; H277-Y344 HydrophobicContact CB-CE1 4.08Å; H277-Y344 HydrophobicContact CB-CE2 4.2Å; H277-Y344 HydrophobicContact CB-CG 3.95Å; H277-Y344 AromaticContact CD2-CD2 3.82Å; H277-Y344 AromaticContact CG-CD2 3.89Å; H277-Y344 AromaticContact CG-CG 3.86Å; H277-A346 PolarHBondContact CE1-O 3.27Å
278	L	94.9	Very high	92.4	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-61.6	-32.9	173.9	-175.1	62.9	0	0	0	112.7	I274 L275 L280 G281 A282 L290 L387 L389 L522 L528 L531	I274-L278 PolarHBondContact O-N 3.4Å; L275-L278 PolarHBondContact O-N 3.21Å; L278-L280 PolarHBondContact O-N 2.95Å; L278-G281 PolarHBondContact O-N 2.83Å; L278-A282 PolarHBondContact O-N 3.19Å; L278-L290 HydrophobicContact CD2-CD1 4.33Å; L278-L290 HydrophobicContact CG-CD1 4.22Å; L278-L387 HydrophobicContact CD1-CD2 4.08Å; L278-L389 HydrophobicContact CB-CD2 4.41Å; L278-L389 HydrophobicContact CD2-CD1 3.99Å; L278-L522 HydrophobicContact CD2-CD1 4.16Å; L278-L522 HydrophobicContact CD2-CD2 3.96Å; L278-L528 HydrophobicContact CD1-CD1 4.02Å; L278-L528 HydrophobicContact CD1-CD2 3.63Å; L278-L528 HydrophobicContact CD2-CD2 4.49Å; L278-L528 HydrophobicContact CG-CD2 3.97Å; L278-L531 HydrophobicContact CD1-CD1 4.05Å
279	L	94.9	Very high	92.3	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-57.1	-32.4	178	-178.2	72.7	0	0	0	113	L275 S276 H277 G281 A282 H287 L290 K291 L294 V303	L275-L279 PolarHBondContact O-N 3.31Å; S276-L279 WeakPolarHBondContact O-CB 3.47Å; S276-L279 PolarHBondContact O-N 2.71Å; H277-L279 VanDerWaalsContact C-N 3.25Å; H277-L279 PolarHBondContact O-N 2.93Å; L279-G281 PolarHBondContact O-N 3.28Å; L279-A282 PolarHBondContact O-N 3.45Å; L279-A282 VanDerWaalsContact O-N 3.12Å; L279-H287 WeakPolarHBondContact CD1-CD2 3.42Å; L279-L290 HydrophobicContact CB-CD1 4.47Å; L279-L290 HydrophobicContact CD1-CB 3.61Å; L279-L290 HydrophobicContact CD1-CD1 4.37Å; L279-K291 HydrophobicContact CD1-CG 4.08Å; L279-K291 HydrophobicContact CD2-CG 4.15Å; L279-L294 HydrophobicContact CD2-CD1 4.36Å; L279-V303 HydrophobicContact CD2-CG1 4.45Å
280	L	92.9	Very high	92.4	Very high	3 Å²	3	13.5 Å²	13.5	2%	0.016	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-30.1	173.3	-74.7	176.6	0	0	0	113	L225 H277 L278 H304 F336 Q339 Y343 Y344	L225-L280 WeakPolarHBondContact CD1-O 3.38Å; H277-L280 WeakPolarHBondContact O-CB 3.32Å; H277-L280 PolarHBondContact O-N 3.07Å; L278-L280 PolarHBondContact O-N 2.95Å; L280-H304 HydrophobicContact CD2-CB 4.34Å; L280-H304 WeakPolarHBondContact CD2-ND1 3.26Å; L280-F336 HydrophobicContact CB-CD2 3.84Å; L280-F336 HydrophobicContact CB-CE2 3.85Å; L280-Q339 HydrophobicContact CD1-CB 3.77Å; L280-Q339 HydrophobicContact CD2-CB 3.99Å; L280-Q339 HydrophobicContact CG-CB 4.49Å; L280-Y343 HydrophobicContact CD2-CD2 4.23Å; L280-Y344 HydrophobicContact CD1-CD2 3.91Å; L280-Y344 HydrophobicContact CD1-CE2 3.61Å; L280-Y344 HydrophobicContact CG-CE2 4.08Å
281	G	91.4	Very high	92.6	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-9.5	-178.2	0	0	0	0	0	114.1	L278 L279 L528 C529 G530 L531	L278-G281 PolarHBondContact O-N 2.83Å; L279-G281 PolarHBondContact O-N 3.28Å; G281-L528 CarbonylContact O-C 3.57Å; G281-L528 WeakPolarHBondContact O-CA 3.44Å; G281-C529 PolarHBondContact O-N 2.81Å; G281-G530 WeakPolarHBondContact O-CA 3.39Å; G281-G530 PolarHBondContact O-N 3.22Å; G281-L531 PolarHBondContact O-N 2.73Å
282	A	91.5	Very high	92.6	Very high	5 Å²	5	21.7 Å²	21.7	4%	0.041	12%	0.118	C	C	.	.			trans	-92.5	146.1	-169.1	0	0	0	0	0	112.9	L278 L279 T286 H287 L290 S527 L528	L278-A282 PolarHBondContact O-N 3.19Å; L279-A282 PolarHBondContact O-N 3.45Å; L279-A282 VanDerWaalsContact O-N 3.12Å; A282-T286 HydrophobicContact CB-CG2 4.06Å; A282-H287 HydrophobicContact CB-CB 4.11Å; A282-L290 HydrophobicContact CB-CD1 3.64Å; A282-S527 WeakPolarHBondContact CA-O 3.26Å; A282-L528 HydrophobicContact CB-CD2 3.88Å
283	T	88	Confident	92.6	Very high	14 Å²	14	21.7 Å²	21.7	9%	0.086	12%	0.117	C	C	.	.			trans	-132	160.6	-178.9	42.1	0	0	0	0	111.2	L221 N285 T286 H287 S527 C529	L221-T283 VanDerWaalsContact O-CG2 3.3Å; L221-T283 WeakPolarHBondContact O-CG2 3.29Å; T283-N285 PolarHBondContact O-N 3.01Å; T283-T286 PolarHBondContact O-N 3.15Å; T283-H287 PolarHBondContact O-N 2.04Å; T283-S527 PolarHBondContact N-O 3.5Å; T283-S527 WeakPolarHBondContact O-CB 3.39Å; T283-S527 PolarHBondContact OG1-O 2.94Å; T283-S527 PolarHBondContact OG1-OG 3.3Å; T283-C529 HydrophobicContact CG2-CB 4.05Å; T283-C529 WeakPolarHBondContact OG1-CB 3.5Å; T283-C529 PolarHBondContact OG1-N 2.69Å
284	G	86.1	Confident	92.8	Very high	35 Å²	35	21.3 Å²	21.3	36%	0.361	11%	0.114	S	C	.	.	H	α-helix	trans	48.2	-129.7	175.1	0	0	0	0	0	115	T286 H287 A288	G284-T286 VanDerWaalsContact C-N 3.28Å; G284-T286 PolarHBondContact O-N 3.33Å; G284-H287 WeakPolarHBondContact O-CB 3.21Å; G284-H287 PolarHBondContact O-N 2.85Å; G284-A288 PolarHBondContact O-N 3.36Å
285	N	85.3	Confident	93	Very high	127 Å²	127	21.6 Å²	21.6	68%	0.679	12%	0.117	S	C	*	.	H	α-helix	trans	-60.4	-32.8	-177.7	-73.1	-10.3	0	0	0	113.5	T283 A289	T283-N285 PolarHBondContact O-N 3.01Å; N285-A289 VanDerWaalsContact O-CB 3.25Å; N285-A289 WeakPolarHBondContact O-CB 3.01Å; N285-A289 PolarHBondContact O-N 2.87Å
286	T	90	Very high	92.9	Very high	7 Å²	7	22 Å²	22	4%	0.043	12%	0.119	C	C	.	.	H	α-helix	trans	-70.5	-40.9	177.9	-60.7	0	0	0	0	111.2	A282 T283 G284 A289 L290 L522 P526 S527 L528	A282-T286 HydrophobicContact CB-CG2 4.06Å; T283-T286 PolarHBondContact O-N 3.15Å; G284-T286 VanDerWaalsContact C-N 3.28Å; G284-T286 PolarHBondContact O-N 3.33Å; T286-A289 PolarHBondContact O-N 3.16Å; T286-L290 HydrophobicContact CG2-CD1 4.2Å; T286-L290 WeakPolarHBondContact O-CB 3.3Å; T286-L290 WeakPolarHBondContact O-CG 3.36Å; T286-L290 PolarHBondContact O-N 2.89Å; T286-L522 HydrophobicContact CG2-CD2 3.73Å; T286-P526 HydrophobicContact CG2-CB 3.95Å; T286-S527 PolarHBondContact OG1-N 2.6Å; T286-L528 HydrophobicContact CG2-CD2 4.36Å
287	H	91.4	Very high	92.7	Very high	39 Å²	39	24.5 Å²	24.5	18%	0.181	14%	0.135	C	C	.	.	H	α-helix	trans	-60.9	-48.7	173	175.8	-100.6	0	0	0	111.7	L279 A282 T283 G284 A289 L290 K291	L279-H287 WeakPolarHBondContact CD1-CD2 3.42Å; A282-H287 HydrophobicContact CB-CB 4.11Å; T283-H287 PolarHBondContact O-N 2.04Å; G284-H287 WeakPolarHBondContact O-CB 3.21Å; G284-H287 PolarHBondContact O-N 2.85Å; H287-A289 VanDerWaalsContact C-N 3.34Å; H287-A289 PolarHBondContact O-N 2.69Å; H287-L290 PolarHBondContact O-N 3.05Å; H287-K291 VanDerWaalsContact CE1-CE 3.45Å; H287-K291 WeakPolarHBondContact CE1-CE 3.18Å; H287-K291 PolarHBondContact O-N 3.12Å
288	A	90.6	Very high	92.3	Very high	21 Å²	21	31.3 Å²	31.3	17%	0.174	17%	0.167	C	C	.	.	H	α-helix	trans	-62.5	-38.3	177.5	0	0	0	0	0	112.8	G284 R292	G284-A288 PolarHBondContact O-N 3.36Å; A288-R292 WeakPolarHBondContact O-CB 3.41Å; A288-R292 PolarHBondContact O-N 2.89Å; A288-R292 VanDerWaalsContact O-N 3.09Å
289	A	92.9	Very high	91.9	Very high	10 Å²	10	37.6 Å²	37.6	8%	0.083	20%	0.2	C	C	.	.	H	α-helix	trans	-66.1	-41.9	174.8	0	0	0	0	0	112.1	N285 T286 H287 R292 A293 L519	N285-A289 VanDerWaalsContact O-CB 3.25Å; N285-A289 WeakPolarHBondContact O-CB 3.01Å; N285-A289 PolarHBondContact O-N 2.87Å; T286-A289 PolarHBondContact O-N 3.16Å; H287-A289 VanDerWaalsContact C-N 3.34Å; H287-A289 PolarHBondContact O-N 2.69Å; A289-R292 PolarHBondContact O-N 2.96Å; A289-A293 VanDerWaalsContact O-CB 3.31Å; A289-A293 WeakPolarHBondContact O-CB 3.27Å; A289-A293 PolarHBondContact O-N 2.97Å; A289-L519 HydrophobicContact CB-CD2 3.96Å
290	L	95.7	Very high	91.7	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-65.3	-45.3	176.2	-77.5	167.3	0	0	0	112.5	L275 L278 L279 A282 T286 H287 R292 A293 L294 L519 L522	L275-L290 HydrophobicContact CB-CD2 4.44Å; L275-L290 HydrophobicContact CD2-CD2 4.13Å; L278-L290 HydrophobicContact CD2-CD1 4.33Å; L278-L290 HydrophobicContact CG-CD1 4.22Å; L279-L290 HydrophobicContact CB-CD1 4.47Å; L279-L290 HydrophobicContact CD1-CB 3.61Å; L279-L290 HydrophobicContact CD1-CD1 4.37Å; A282-L290 HydrophobicContact CB-CD1 3.64Å; T286-L290 HydrophobicContact CG2-CD1 4.2Å; T286-L290 WeakPolarHBondContact O-CB 3.3Å; T286-L290 WeakPolarHBondContact O-CG 3.36Å; T286-L290 PolarHBondContact O-N 2.89Å; H287-L290 PolarHBondContact O-N 3.05Å; L290-R292 PolarHBondContact O-N 3.24Å; L290-A293 PolarHBondContact O-N 3.07Å; L290-L294 WeakPolarHBondContact O-CB 2.96Å; L290-L294 WeakPolarHBondContact O-CG 3.4Å; L290-L294 PolarHBondContact O-N 3.29Å; L290-L519 HydrophobicContact CD2-CD1 3.99Å; L290-L519 HydrophobicContact CD2-CD2 3.86Å; L290-L519 HydrophobicContact CG-CD2 4.07Å; L290-L522 HydrophobicContact CD2-CD1 4.45Å
291	K	95.3	Very high	91.5	Very high	6 Å²	6	40.7 Å²	40.7	3%	0.026	22%	0.216	C	C	.	.	H	α-helix	trans	-56.5	-47.7	172.7	-77.9	-162.7	176.8	-168.1	0	111.3	L279 H287 A293 L294 C295 V296 H298 F300 N301	L279-K291 HydrophobicContact CD1-CG 4.08Å; L279-K291 HydrophobicContact CD2-CG 4.15Å; H287-K291 VanDerWaalsContact CE1-CE 3.45Å; H287-K291 WeakPolarHBondContact CE1-CE 3.18Å; H287-K291 PolarHBondContact O-N 3.12Å; K291-A293 PolarHBondContact O-N 2.79Å; K291-L294 CarbonylContact O-C 3.6Å; K291-L294 PolarHBondContact O-N 2.84Å; K291-C295 PolarHBondContact O-N 3.47Å; K291-C295 VanDerWaalsContact O-N 3.16Å; K291-V296 HydrophobicContact CB-CB 4.45Å; K291-V296 HydrophobicContact CB-CG1 4.39Å; K291-V296 HydrophobicContact CD-CG1 4.17Å; K291-V296 HydrophobicContact CG-CG1 4.16Å; K291-V296 PolarHBondContact O-N 3.18Å; K291-H298 PolarHBondContact NZ-O 3.42Å; K291-F300 PolarHBondContact NZ-O 3.19Å; K291-N301 PolarHBondContact NZ-OD1 3.38Å
292	R	95.8	Very high	91.6	Very high	167 Å²	167	41.3 Å²	41.3	63%	0.63	22%	0.22	S	C	*	.	H	α-helix	trans	-64.5	-36.2	178	-168.9	-171	-58.5	113	1.4	113.5	K250 A288 A289 L290 C295	K250-R292 PolarHBondContact NZ-O 2.77Å; A288-R292 WeakPolarHBondContact O-CB 3.41Å; A288-R292 PolarHBondContact O-N 2.89Å; A288-R292 VanDerWaalsContact O-N 3.09Å; A289-R292 PolarHBondContact O-N 2.96Å; L290-R292 PolarHBondContact O-N 3.24Å; R292-C295 PolarHBondContact O-N 2.87Å
293	A	96.1	Very high	91.7	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.008	22%	0.219	C	C	.	.	H	α-helix	trans	-66.8	-43.8	176.1	0	0	0	0	0	110.9	F247 A289 L290 K291 C295 L517 L519	F247-A293 WeakPolarHBondContact CD2-O 3.25Å; F247-A293 WeakPolarHBondContact CE2-O 3.37Å; A289-A293 VanDerWaalsContact O-CB 3.31Å; A289-A293 WeakPolarHBondContact O-CB 3.27Å; A289-A293 PolarHBondContact O-N 2.97Å; L290-A293 PolarHBondContact O-N 3.07Å; K291-A293 PolarHBondContact O-N 2.79Å; A293-C295 PolarHBondContact O-N 3.08Å; A293-L517 HydrophobicContact CB-CB 4.26Å; A293-L519 HydrophobicContact CB-CD1 3.66Å; A293-L519 HydrophobicContact CB-CD2 3.83Å; A293-L519 HydrophobicContact CB-CG 3.79Å
294	L	96.8	Very high	91.9	Very high	4 Å²	4	41 Å²	41	2%	0.021	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-1.9	175.2	-72.4	168.6	0	0	0	114.7	L275 L279 L290 K291 V296	L275-L294 HydrophobicContact CB-CD1 4.49Å; L275-L294 HydrophobicContact CB-CD2 3.96Å; L275-L294 HydrophobicContact CB-CG 4.36Å; L279-L294 HydrophobicContact CD2-CD1 4.36Å; L290-L294 WeakPolarHBondContact O-CB 2.96Å; L290-L294 WeakPolarHBondContact O-CG 3.4Å; L290-L294 PolarHBondContact O-N 3.29Å; K291-L294 CarbonylContact O-C 3.6Å; K291-L294 PolarHBondContact O-N 2.84Å; L294-V296 HydrophobicContact CB-CB 4.41Å; L294-V296 HydrophobicContact CB-CG2 3.94Å; L294-V296 PolarHBondContact O-N 3.43Å
295	C	96.9	Very high	92.3	Very high	14 Å²	14	39.6 Å²	39.6	10%	0.095	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	28.3	-174.9	-50.4	0	0	0	0	113.5	S243 E246 K250 K291 R292 A293	S243-C295 WeakPolarHBondContact CB-O 3.43Å; S243-C295 PolarHBondContact OG-O 3.36Å; E246-C295 HydrophobicContact CB-CB 3.93Å; E246-C295 HydrophobicContact CG-CB 4.04Å; E246-C295 PolarHBondContact OE1-SG 3.16Å; E246-C295 VanDerWaalsContact OE1-SG 3.42Å; K250-C295 VanDerWaalsContact CD-SG 3.55Å; K291-C295 PolarHBondContact O-N 3.47Å; K291-C295 VanDerWaalsContact O-N 3.16Å; R292-C295 PolarHBondContact O-N 2.87Å; A293-C295 PolarHBondContact O-N 3.08Å
296	V	94.7	Very high	92.7	Very high	10 Å²	10	33.8 Å²	33.8	6%	0.061	17%	0.17	C	C	.	.			trans	-88.1	133.7	179.7	160.1	0	0	0	0	110.2	K291 L294 F300 V303	K291-V296 HydrophobicContact CB-CB 4.45Å; K291-V296 HydrophobicContact CB-CG1 4.39Å; K291-V296 HydrophobicContact CD-CG1 4.17Å; K291-V296 HydrophobicContact CG-CG1 4.16Å; K291-V296 PolarHBondContact O-N 3.18Å; L294-V296 HydrophobicContact CB-CB 4.41Å; L294-V296 HydrophobicContact CB-CG2 3.94Å; L294-V296 PolarHBondContact O-N 3.43Å; V296-F300 HydrophobicContact CG1-CB 4.2Å; V296-F300 HydrophobicContact CG1-CD1 4.07Å; V296-V303 HydrophobicContact CG1-CG2 3.59Å; V296-V303 HydrophobicContact CG2-CG1 4.39Å; V296-V303 HydrophobicContact CG2-CG2 4.32Å
297	P	91.8	Very high	92.8	Very high	52 Å²	52	34 Å²	34	34%	0.338	17%	0.171	S	C	.	.			trans	-58.3	144	173.7	-23.9	33.7	0	0	0	112.6	T239 D299 F300	T239-P297 HydrophobicContact CG2-CG 3.77Å; P297-D299 VanDerWaalsContact C-N 3.32Å; P297-D299 WeakPolarHBondContact CB-OD1 3.4Å; P297-D299 PolarHBondContact O-N 2.87Å; P297-F300 HydrophobicContact CB-CB 4.01Å; P297-F300 HydrophobicContact CG-CB 4.33Å; P297-F300 WeakPolarHBondContact O-CB 3.22Å; P297-F300 PolarHBondContact O-N 3.02Å
298	H	86	Confident	92.9	Very high	142 Å²	142	35.2 Å²	35.2	66%	0.657	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-40.7	-172.1	-175.1	-84.2	0	0	0	112.9	K291 F300	K291-H298 PolarHBondContact NZ-O 3.42Å; H298-F300 VanDerWaalsContact C-N 3.32Å
299	D	86.2	Confident	92.9	Very high	132 Å²	132	36.8 Å²	36.8	71%	0.706	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-10.1	177.4	60.1	-32.1	0	0	0	113.9	P297 N301	P297-D299 VanDerWaalsContact C-N 3.32Å; P297-D299 WeakPolarHBondContact CB-OD1 3.4Å; P297-D299 PolarHBondContact O-N 2.87Å; D299-N301 PolarHBondContact O-N 2.74Å; D299-N301 VanDerWaalsContact O-N 3.14Å
300	F	90.1	Very high	92.9	Very high	23 Å²	23	36.3 Å²	36.3	10%	0.101	18%	0.175	C	C	.	.			trans	-78	103.2	178	-169.6	-117.7	0	0	0	110.8	A236 T239 L240 K291 V296 P297 H298 C302 V303 Q306	A236-F300 HydrophobicContact CB-CE2 3.84Å; A236-F300 HydrophobicContact CB-CZ 4.14Å; A236-F300 VanDerWaalsContact O-CZ 3.3Å; A236-F300 WeakPolarHBondContact O-CZ 3.24Å; T239-F300 HydrophobicContact CG2-CD1 4.27Å; T239-F300 HydrophobicContact CG2-CD2 4.08Å; T239-F300 HydrophobicContact CG2-CE1 4.46Å; T239-F300 HydrophobicContact CG2-CE2 4.29Å; T239-F300 HydrophobicContact CG2-CG 4.08Å; T239-F300 HydrophobicContact CG2-CZ 4.46Å; L240-F300 HydrophobicContact CB-CE1 4.39Å; K291-F300 PolarHBondContact NZ-O 3.19Å; V296-F300 HydrophobicContact CG1-CB 4.2Å; V296-F300 HydrophobicContact CG1-CD1 4.07Å; P297-F300 HydrophobicContact CB-CB 4.01Å; P297-F300 HydrophobicContact CG-CB 4.33Å; P297-F300 WeakPolarHBondContact O-CB 3.22Å; P297-F300 PolarHBondContact O-N 3.02Å; H298-F300 VanDerWaalsContact C-N 3.32Å; F300-C302 HydrophobicContact CD2-CB 4.42Å; F300-C302 HydrophobicContact CE1-CB 4.45Å; F300-C302 HydrophobicContact CE2-CB 3.73Å; F300-C302 HydrophobicContact CZ-CB 3.76Å; F300-V303 HydrophobicContact CD1-CG2 3.73Å; F300-V303 HydrophobicContact CE1-CG2 4.16Å; F300-V303 WeakPolarHBondContact O-CG2 3.31Å; F300-Q306 HydrophobicContact CZ-CG 4.03Å
301	N	89.3	Confident	92.6	Very high	45 Å²	45	40.2 Å²	40.2	24%	0.241	19%	0.192	C	C	.	.			trans	-99	-4.9	-179.3	-66.1	-24.9	0	0	0	113.6	Q226 K291 D299 V303	Q226-N301 WeakPolarHBondContact CB-ND2 3.29Å; Q226-N301 PolarHBondContact OE1-ND2 3.04Å; K291-N301 PolarHBondContact NZ-OD1 3.38Å; D299-N301 PolarHBondContact O-N 2.74Å; D299-N301 VanDerWaalsContact O-N 3.14Å; N301-V303 VanDerWaalsContact C-N 3.26Å; N301-V303 PolarHBondContact O-N 3.2Å
302	C	92.2	Very high	92.3	Very high	14 Å²	14	45.8 Å²	45.8	10%	0.095	22%	0.218	C	C	.	.			trans	-86.6	14.7	-179.4	-56.6	0	0	0	0	114.1	C228 F300 H304 S305 Q306	C228-C302 HydrophobicContact CB-CB 3.86Å; C228-C302 WeakPolarHBondContact CB-SG 3.46Å; C228-C302 WeakPolarHBondContact SG-CB 3.42Å; C228-C302 CovalentContact SG-SG 2.03Å; C228-C302 PolarHBondContact SG-SG 2.94Å; F300-C302 HydrophobicContact CD2-CB 4.42Å; F300-C302 HydrophobicContact CE1-CB 4.45Å; F300-C302 HydrophobicContact CE2-CB 3.73Å; F300-C302 HydrophobicContact CZ-CB 3.76Å; C302-H304 PolarHBondContact O-N 3.18Å; C302-S305 PolarHBondContact O-OG 2.96Å; C302-Q306 HydrophobicContact CB-CG 4.19Å; C302-Q306 WeakPolarHBondContact O-CB 3.31Å; C302-Q306 VanDerWaalsContact O-CG 3.26Å; C302-Q306 WeakPolarHBondContact O-CG 3.29Å; C302-Q306 PolarHBondContact O-N 3.32Å
303	V	93.8	Very high	91.9	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.012	20%	0.199	C	C	.	.	H	α-helix	trans	-54.3	-50.3	-175	-172.5	0	0	0	0	111.5	S276 L279 V296 F300 N301 M307	S276-V303 WeakPolarHBondContact OG-CG1 3.48Å; L279-V303 HydrophobicContact CD2-CG1 4.45Å; V296-V303 HydrophobicContact CG1-CG2 3.59Å; V296-V303 HydrophobicContact CG2-CG1 4.39Å; V296-V303 HydrophobicContact CG2-CG2 4.32Å; F300-V303 HydrophobicContact CD1-CG2 3.73Å; F300-V303 HydrophobicContact CE1-CG2 4.16Å; F300-V303 WeakPolarHBondContact O-CG2 3.31Å; N301-V303 VanDerWaalsContact C-N 3.26Å; N301-V303 PolarHBondContact O-N 3.2Å; V303-M307 HydrophobicContact CG1-CG 4.28Å; V303-M307 VanDerWaalsContact O-CB 3.27Å; V303-M307 WeakPolarHBondContact O-CB 3.45Å; V303-M307 WeakPolarHBondContact O-CG 3.29Å; V303-M307 PolarHBondContact O-N 3.33Å
304	H	93.8	Very high	91.5	Very high	11 Å²	11	40.5 Å²	40.5	5%	0.051	20%	0.199	C	C	.	.	H	α-helix	trans	-70.3	-43	-171.7	-52	-72.2	0	0	0	112.1	S276 L280 C302 M307 K308 Y343 Y344	S276-H304 PolarHBondContact O-CE1 2.81Å; S276-H304 VanDerWaalsContact O-CE1 3.23Å; S276-H304 PolarHBondContact O-ND1 3.26Å; L280-H304 HydrophobicContact CD2-CB 4.34Å; L280-H304 WeakPolarHBondContact CD2-ND1 3.26Å; C302-H304 PolarHBondContact O-N 3.18Å; H304-M307 PolarHBondContact O-N 3.45Å; H304-K308 PolarHBondContact O-N 2.95Å; H304-Y343 HydrophobicContact CB-CD1 4.05Å; H304-Y343 HydrophobicContact CB-CD2 3.56Å; H304-Y343 HydrophobicContact CB-CE1 4.41Å; H304-Y343 HydrophobicContact CB-CE2 3.92Å; H304-Y343 HydrophobicContact CB-CG 3.63Å; H304-Y344 AromaticContact ND1-CE2 3.89Å; H304-Y344 AromaticContact ND1-CZ 3.8Å; H304-Y344 PolarHBondContact ND1-OH 3.24Å
305	S	93.1	Very high	90.5	Very high	5 Å²	5	42.9 Å²	42.9	4%	0.035	22%	0.224	C	C	.	.	H	α-helix	trans	-70.5	-35.2	177	59.6	0	0	0	0	113	E231 C302 K308 K309	E231-S305 WeakPolarHBondContact OE1-CB 3.33Å; E231-S305 PolarHBondContact OE1-OG 3.35Å; C302-S305 PolarHBondContact O-OG 2.96Å; S305-K308 WeakPolarHBondContact O-CB 3.45Å; S305-K308 PolarHBondContact O-N 3.19Å; S305-K309 WeakPolarHBondContact O-CG 3.43Å; S305-K309 PolarHBondContact O-N 3.01Å; S305-K309 VanDerWaalsContact O-N 3.09Å
306	Q	93.9	Very high	89.3	Confident	4 Å²	4	50.8 Å²	50.8	2%	0.019	26%	0.26	C	S	.	.	H	α-helix	trans	-72.3	-37	172.2	-61.4	-57.4	-27	0	0	112.1	E231 A236 L240 F300 C302 K308 K309 Q310	E231-Q306 PolarHBondContact O-NE2 2.9Å; A236-Q306 HydrophobicContact CB-CG 4.1Å; L240-Q306 HydrophobicContact CB-CB 4.19Å; L240-Q306 HydrophobicContact CD2-CB 3.44Å; L240-Q306 VanDerWaalsContact CD2-CB 3.44Å; L240-Q306 HydrophobicContact CG-CB 4.4Å; F300-Q306 HydrophobicContact CZ-CG 4.03Å; C302-Q306 HydrophobicContact CB-CG 4.19Å; C302-Q306 WeakPolarHBondContact O-CB 3.31Å; C302-Q306 VanDerWaalsContact O-CG 3.26Å; C302-Q306 WeakPolarHBondContact O-CG 3.29Å; C302-Q306 PolarHBondContact O-N 3.32Å; Q306-K308 VanDerWaalsContact C-N 3.3Å; Q306-K308 PolarHBondContact O-N 2.82Å; Q306-K309 PolarHBondContact O-N 3.05Å; Q306-Q310 WeakPolarHBondContact O-CG 3.4Å; Q306-Q310 PolarHBondContact O-N 3.4Å
307	M	93.1	Very high	88	Confident	13 Å²	13	50.9 Å²	50.9	6%	0.064	26%	0.261	C	S	.	.	H	α-helix	trans	-60.3	-39.6	172.6	-80	-71.2	-167.3	0	0	111.7	L240 M244 V303 H304 Q310 K311 Y344	L240-M307 HydrophobicContact CD1-CE 3.94Å; L240-M307 HydrophobicContact CD1-CG 4.44Å; L240-M307 HydrophobicContact CD1-SD 4.35Å; L240-M307 HydrophobicContact CD2-CG 4.03Å; L240-M307 HydrophobicContact CD2-SD 4.15Å; M244-M307 HydrophobicContact CG-CE 4.34Å; M244-M307 HydrophobicContact SD-CE 4.37Å; M244-M307 HydrophobicContact SD-SD 4.14Å; V303-M307 HydrophobicContact CG1-CG 4.28Å; V303-M307 VanDerWaalsContact O-CB 3.27Å; V303-M307 WeakPolarHBondContact O-CB 3.45Å; V303-M307 WeakPolarHBondContact O-CG 3.29Å; V303-M307 PolarHBondContact O-N 3.33Å; H304-M307 PolarHBondContact O-N 3.45Å; M307-Q310 PolarHBondContact O-N 3.29Å; M307-K311 WeakPolarHBondContact O-CB 3.29Å; M307-K311 PolarHBondContact O-N 3.47Å; M307-Y344 HydrophobicContact CB-CE1 4.32Å
308	K	92.7	Very high	87.4	Confident	63 Å²	63	48.9 Å²	48.9	27%	0.274	25%	0.247	S	C	.	.	H	α-helix	trans	-58.9	-53.8	171.4	-179.1	-175.7	-176.3	157	0	111.5	H304 S305 Q306 Q310 K311 E312 E342 Y343	H304-K308 PolarHBondContact O-N 2.95Å; S305-K308 WeakPolarHBondContact O-CB 3.45Å; S305-K308 PolarHBondContact O-N 3.19Å; Q306-K308 VanDerWaalsContact C-N 3.3Å; Q306-K308 PolarHBondContact O-N 2.82Å; K308-Q310 VanDerWaalsContact C-N 3.29Å; K308-Q310 PolarHBondContact O-N 3.31Å; K308-K311 WeakPolarHBondContact O-CB 3.36Å; K308-K311 PolarHBondContact O-N 2.89Å; K308-K311 VanDerWaalsContact O-N 3.13Å; K308-E312 WeakPolarHBondContact CE-OE1 3.48Å; K308-E312 WeakPolarHBondContact O-CG 3.22Å; K308-E312 PolarHBondContact O-N 2.85Å; K308-E342 WeakPolarHBondContact CD-O 3.26Å; K308-E342 WeakPolarHBondContact CE-O 3.5Å; K308-E342 PolarHBondContact NZ-O 3.42Å; K308-Y343 HydrophobicContact CB-CD1 4.38Å; K308-Y343 WeakPolarHBondContact CB-O 3.37Å; K308-Y343 HydrophobicContact CD-CD1 4.2Å
309	K	91.9	Very high	86.7	Confident	54 Å²	54	47.5 Å²	47.5	24%	0.235	24%	0.24	C	C	.	.	H	α-helix	trans	-56.2	-41.8	177.2	-71.6	173.7	178.1	-172.2	0	111.9	E231 N232 S305 Q306 E312 K313	E231-K309 PolarHBondContact O-NZ 2.84Å; N232-K309 PolarHBondContact OD1-NZ 3.44Å; S305-K309 WeakPolarHBondContact O-CG 3.43Å; S305-K309 PolarHBondContact O-N 3.01Å; S305-K309 VanDerWaalsContact O-N 3.09Å; Q306-K309 PolarHBondContact O-N 3.05Å; K309-E312 PolarHBondContact O-N 3.24Å; K309-K313 WeakPolarHBondContact O-CG 3.31Å; K309-K313 PolarHBondContact O-N 2.96Å; K309-K313 VanDerWaalsContact O-N 3.11Å
310	Q	91.4	Very high	86.2	Confident	1 Å²	1	43 Å²	43	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-66.6	-44.2	176.3	-68.9	-61.7	-0.3	0	0	112.2	L240 Q306 M307 K308 E312 K313 M314 A587	L240-Q310 HydrophobicContact CD2-CG 3.88Å; Q306-Q310 WeakPolarHBondContact O-CG 3.4Å; Q306-Q310 PolarHBondContact O-N 3.4Å; M307-Q310 PolarHBondContact O-N 3.29Å; K308-Q310 VanDerWaalsContact C-N 3.29Å; K308-Q310 PolarHBondContact O-N 3.31Å; Q310-E312 VanDerWaalsContact C-N 3.28Å; Q310-E312 PolarHBondContact O-N 3.3Å; Q310-K313 PolarHBondContact O-N 3.37Å; Q310-M314 HydrophobicContact CB-CE 3.95Å; Q310-M314 WeakPolarHBondContact O-CE 3.19Å; Q310-M314 PolarHBondContact O-N 3Å; Q310-A587 VanDerWaalsContact OE1-CB 3.28Å; Q310-A587 PolarHBondContact OE1-O 2.83Å
311	K	89.3	Confident	85.4	Confident	81 Å²	81	42 Å²	42	35%	0.352	21%	0.211	S	C	.	.	H	α-helix	trans	-56.5	-42.2	173.9	177	-179.9	178.9	-159.4	0	111.9	M307 K308 M314 G315 M320 Y344	M307-K311 WeakPolarHBondContact O-CB 3.29Å; M307-K311 PolarHBondContact O-N 3.47Å; K308-K311 WeakPolarHBondContact O-CB 3.36Å; K308-K311 PolarHBondContact O-N 2.89Å; K308-K311 VanDerWaalsContact O-N 3.13Å; K311-M314 PolarHBondContact O-N 3.36Å; K311-G315 PolarHBondContact O-N 3.4Å; K311-M320 HydrophobicContact CB-CE 4.22Å; K311-M320 HydrophobicContact CG-CE 3.93Å; K311-Y344 PolarHBondContact NZ-O 2.95Å
312	E	89.2	Confident	85.1	Confident	124 Å²	124	40.9 Å²	40.9	58%	0.579	21%	0.206	S	C	*	.	H	α-helix	trans	-63.5	-43.7	177.6	-71.5	168.1	179.9	0	0	111.7	K308 K309 Q310 M314 G315	K308-E312 WeakPolarHBondContact CE-OE1 3.48Å; K308-E312 WeakPolarHBondContact O-CG 3.22Å; K308-E312 PolarHBondContact O-N 2.85Å; K309-E312 PolarHBondContact O-N 3.24Å; Q310-E312 VanDerWaalsContact C-N 3.28Å; Q310-E312 PolarHBondContact O-N 3.3Å; E312-M314 VanDerWaalsContact C-N 3.35Å; E312-M314 PolarHBondContact O-N 3.44Å; E312-G315 PolarHBondContact O-N 2.96Å
313	K	88.6	Confident	85	Confident	55 Å²	55	40.8 Å²	40.8	24%	0.239	21%	0.205	C	C	.	.	H	α-helix	trans	-59.4	-41.5	173.8	-68.7	-178.4	-169.7	-163.6	0	112.6	E237 K309 Q310 Q586 A587	E237-K313 IonicContact OE1-NZ 2.78Å; E237-K313 PolarHBondContact OE1-NZ 3.45Å; E237-K313 IonicContact OE2-NZ 3.52Å; E237-K313 PolarHBondContact OE2-NZ 3.27Å; K309-K313 WeakPolarHBondContact O-CG 3.31Å; K309-K313 PolarHBondContact O-N 2.96Å; K309-K313 VanDerWaalsContact O-N 3.11Å; Q310-K313 PolarHBondContact O-N 3.37Å; K313-Q586 HydrophobicContact CB-CG 4.33Å; K313-Q586 PolarHBondContact O-OE1 3.27Å; K313-A587 HydrophobicContact CB-CB 4.09Å
314	M	85.9	Confident	85	Confident	2 Å²	2	40.7 Å²	40.7	1%	0.01	20%	0.204	C	C	.	.	H	α-helix	trans	-81.5	-10.2	-179.8	-64.8	176.3	-79.3	0	0	114.5	V269 Q310 K311 E312 Q316 S317 L318 M320 A587 V589 L591	V269-M314 HydrophobicContact CG2-CE 3.59Å; V269-M314 HydrophobicContact CG2-SD 3.77Å; Q310-M314 HydrophobicContact CB-CE 3.95Å; Q310-M314 WeakPolarHBondContact O-CE 3.19Å; Q310-M314 PolarHBondContact O-N 3Å; K311-M314 PolarHBondContact O-N 3.36Å; E312-M314 VanDerWaalsContact C-N 3.35Å; E312-M314 PolarHBondContact O-N 3.44Å; M314-Q316 PolarHBondContact O-N 3.09Å; M314-S317 PolarHBondContact O-N 2.97Å; M314-S317 PolarHBondContact O-OG 3.16Å; M314-L318 HydrophobicContact CB-CB 4.22Å; M314-L318 PolarHBondContact O-N 3.24Å; M314-L318 HydrophobicContact SD-CD2 4.23Å; M314-M320 HydrophobicContact CE-CE 4.26Å; M314-A587 HydrophobicContact CG-CB 3.65Å; M314-A587 HydrophobicContact SD-CB 4.32Å; M314-V589 HydrophobicContact SD-CG2 4Å; M314-L591 HydrophobicContact CG-CD2 4.1Å; M314-L591 HydrophobicContact SD-CD2 3.38Å; M314-L591 WeakPolarHBondContact SD-CD2 3.36Å
315	G	76.3	Confident	85	Confident	53 Å²	53	40.3 Å²	40.3	55%	0.546	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-20.2	-165.4	0	0	0	0	0	115.9	K311 E312	K311-G315 PolarHBondContact O-N 3.4Å; E312-G315 PolarHBondContact O-N 2.96Å
316	Q	71.4	Confident	85	Confident	181 Å²	181	40.9 Å²	40.9	85%	0.846	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-25.1	176.4	-61	-170.6	21.5	0	0	113.6	M314	M314-Q316 PolarHBondContact O-N 3.09Å
317	S	69.1	Low	84.9	Confident	12 Å²	12	41.5 Å²	41.5	8%	0.084	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.6	-27.8	-170	60.1	0	0	0	0	114.3	M314 F395 N453	M314-S317 PolarHBondContact O-N 2.97Å; M314-S317 PolarHBondContact O-OG 3.16Å; S317-F395 WeakPolarHBondContact O-CD2 3.43Å; S317-F395 WeakPolarHBondContact O-CE2 3.43Å; S317-N453 WeakPolarHBondContact CB-ND2 3.09Å; S317-N453 PolarHBondContact OG-ND2 3.37Å; S317-N453 PolarHBondContact OG-OD1 3.2Å
318	L	77.3	Confident	84.5	Confident	9 Å²	9	43.1 Å²	43.1	5%	0.047	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	115.9	-179.4	-175.8	65	0	0	0	111.7	V269 M314 M320 V393 F395 L591 F592	V269-L318 HydrophobicContact CG1-CD2 3.83Å; M314-L318 HydrophobicContact CB-CB 4.22Å; M314-L318 PolarHBondContact O-N 3.24Å; M314-L318 HydrophobicContact SD-CD2 4.23Å; L318-M320 HydrophobicContact CD2-CB 4.38Å; L318-M320 HydrophobicContact CD2-CE 4.18Å; L318-M320 HydrophobicContact CD2-CG 4.18Å; L318-M320 HydrophobicContact CD2-SD 3.89Å; L318-M320 HydrophobicContact CG-CB 4.33Å; L318-M320 HydrophobicContact CG-CG 4.34Å; L318-M320 PolarHBondContact O-N 2.95Å; L318-V393 HydrophobicContact CD1-CG2 3.68Å; L318-V393 HydrophobicContact CG-CG2 4.37Å; L318-F395 HydrophobicContact CD1-CD2 4.41Å; L318-L591 HydrophobicContact CD2-CD2 4.31Å; L318-F592 HydrophobicContact CD1-CE2 3.74Å
319	K	73.1	Confident	84.2	Confident	113 Å²	113	48.2 Å²	48.2	49%	0.491	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	95.7	165.6	-73.4	-178.1	172.6	178.5	0	109.7	N371 S394	K319-N371 WeakPolarHBondContact CD-ND2 3.39Å; K319-N371 PolarHBondContact NZ-OD1 2.85Å; K319-S394 PolarHBondContact O-N 3.06Å; K319-S394 VanDerWaalsContact O-N 3.14Å
320	M	75.5	Confident	83.9	Confident	39 Å²	39	46 Å²	46	19%	0.192	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	137.2	170.5	56.1	179.1	163	0	0	111.6	K311 M314 L318 V393	K311-M320 HydrophobicContact CB-CE 4.22Å; K311-M320 HydrophobicContact CG-CE 3.93Å; M314-M320 HydrophobicContact CE-CE 4.26Å; L318-M320 HydrophobicContact CD2-CB 4.38Å; L318-M320 HydrophobicContact CD2-CE 4.18Å; L318-M320 HydrophobicContact CD2-CG 4.18Å; L318-M320 HydrophobicContact CD2-SD 3.89Å; L318-M320 HydrophobicContact CG-CB 4.33Å; L318-M320 HydrophobicContact CG-CG 4.34Å; L318-M320 PolarHBondContact O-N 2.95Å; M320-V393 HydrophobicContact CB-CB 4.28Å; M320-V393 HydrophobicContact CB-CG2 3.75Å
321	G	72.3	Confident	83.8	Confident	2 Å²	2	52.2 Å²	52.2	2%	0.021	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	111.8	164.7	0	0	0	0	0	109.5	W365 N391 A392	G321-W365 VanDerWaalsContact C-CH2 3.43Å; G321-N391 WeakPolarHBondContact O-CA 3.24Å; G321-A392 PolarHBondContact N-O 3.27Å; G321-A392 PolarHBondContact O-N 2.81Å
322	S	84.1	Confident	83.8	Confident	20 Å²	20	49.5 Å²	49.5	14%	0.14	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	137.2	161.2	-65.2	0	0	0	0	108.3	L390 N391	S322-L390 CarbonylContact C-O 3.54Å; S322-L390 WeakPolarHBondContact CA-O 3.35Å; S322-N391 PolarHBondContact OG-ND2 2.85Å
323	Q	90.1	Very high	83.9	Confident	12 Å²	12	45.3 Å²	45.3	6%	0.056	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	142.5	171.6	-173.4	60.2	-52.6	0	0	112.5	Y325 E347 T349 W365 L390	Q323-Y325 HydrophobicContact CB-CD2 4.36Å; Q323-Y325 HydrophobicContact CB-CE2 3.8Å; Q323-Y325 HydrophobicContact CG-CD2 3.9Å; Q323-Y325 HydrophobicContact CG-CE1 4.43Å; Q323-Y325 HydrophobicContact CG-CE2 3.43Å; Q323-Y325 VanDerWaalsContact CG-CE2 3.43Å; Q323-E347 PolarHBondContact NE2-O 3.19Å; Q323-E347 PolarHBondContact OE1-O 2.87Å; Q323-E347 VanDerWaalsContact OE1-O 3.12Å; Q323-T349 PolarHBondContact NE2-OG1 3.03Å; Q323-W365 HydrophobicContact CB-CH2 3.52Å; Q323-W365 HydrophobicContact CB-CZ2 3.53Å; Q323-W365 HydrophobicContact CB-CZ3 4.14Å; Q323-W365 HydrophobicContact CG-CZ2 4.32Å; Q323-L390 PolarHBondContact N-O 3.44Å; Q323-L390 PolarHBondContact O-N 2.84Å
324	I	93.6	Very high	83.9	Confident	1 Å²	1	50.9 Å²	50.9	1%	0.005	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	122.6	169.1	-59	-179.1	0	0	0	107.2	I274 H277 F336 P348 T349 L387 L389	I274-I324 HydrophobicContact CD1-CD1 4.45Å; I274-I324 HydrophobicContact CD1-CG1 3.65Å; H277-I324 HydrophobicContact CB-CD1 4.39Å; I324-F336 HydrophobicContact CD1-CZ 3.88Å; I324-P348 HydrophobicContact CB-CB 4.19Å; I324-P348 HydrophobicContact CB-CG 4.41Å; I324-P348 HydrophobicContact CG2-CB 4.41Å; I324-P348 CarbonylContact O-C 3.56Å; I324-P348 VanDerWaalsContact O-CA 3.27Å; I324-P348 WeakPolarHBondContact O-CA 3.45Å; I324-T349 PolarHBondContact O-N 2.92Å; I324-L387 HydrophobicContact CG2-CD1 3.64Å; I324-L387 HydrophobicContact CG2-CG 4.32Å; I324-L389 HydrophobicContact CD1-CD2 4.25Å; I324-L389 HydrophobicContact CG1-CD2 3.84Å
325	Y	93.7	Very high	84	Confident	2 Å²	2	54.1 Å²	54.1	1%	0.008	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	140.2	169	-68.2	-94.3	0	0	0	109.7	Q323 T349 L351 M361 I362 L387 I388 L390	Q323-Y325 HydrophobicContact CB-CD2 4.36Å; Q323-Y325 HydrophobicContact CB-CE2 3.8Å; Q323-Y325 HydrophobicContact CG-CD2 3.9Å; Q323-Y325 HydrophobicContact CG-CE1 4.43Å; Q323-Y325 HydrophobicContact CG-CE2 3.43Å; Q323-Y325 VanDerWaalsContact CG-CE2 3.43Å; Y325-T349 VanDerWaalsContact CA-O 3.29Å; Y325-T349 WeakPolarHBondContact CA-O 3.34Å; Y325-T349 HydrophobicContact CD1-CG2 3.85Å; Y325-T349 HydrophobicContact CE1-CG2 3.62Å; Y325-L351 HydrophobicContact CD1-CD2 4.06Å; Y325-L351 HydrophobicContact CG-CD2 4.27Å; Y325-M361 HydrophobicContact CD1-CE 4.16Å; Y325-M361 HydrophobicContact CE1-CE 3.93Å; Y325-I362 HydrophobicContact CD1-CD1 4.45Å; Y325-I362 HydrophobicContact CD1-CG1 4.12Å; Y325-I362 HydrophobicContact CD2-CG1 4.31Å; Y325-I362 HydrophobicContact CE1-CG1 3.75Å; Y325-I362 HydrophobicContact CE2-CG1 3.98Å; Y325-I362 HydrophobicContact CG-CD1 4.44Å; Y325-I362 HydrophobicContact CG-CG1 4.38Å; Y325-L387 WeakPolarHBondContact O-CA 3.16Å; Y325-I388 PolarHBondContact N-O 2.97Å; Y325-I388 PolarHBondContact O-N 2.94Å; Y325-L390 HydrophobicContact CD2-CB 4.23Å; Y325-L390 HydrophobicContact CD2-CD2 4.4Å; Y325-L390 HydrophobicContact CE2-CB 4.11Å; Y325-L390 HydrophobicContact CE2-CD2 3.63Å
326	Y	92.9	Very high	84.7	Confident	17 Å²	17	51.7 Å²	51.7	7%	0.067	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	154.4	-175.6	70.1	-83.1	0	0	0	112.5	M330 L332 P348 T349 K350 L351 Q386	Y326-M330 HydrophobicContact CD2-CB 4.12Å; Y326-M330 HydrophobicContact CD2-CE 4.21Å; Y326-M330 HydrophobicContact CG-CE 4.44Å; Y326-L332 HydrophobicContact CD1-CD1 3.67Å; Y326-L332 HydrophobicContact CD1-CG 4.44Å; Y326-L332 HydrophobicContact CD2-CD1 4.03Å; Y326-L332 HydrophobicContact CD2-CD2 4.05Å; Y326-L332 HydrophobicContact CD2-CG 3.89Å; Y326-L332 HydrophobicContact CE1-CD1 3.43Å; Y326-L332 VanDerWaalsContact CE1-CD1 3.43Å; Y326-L332 HydrophobicContact CE1-CG 4.22Å; Y326-L332 HydrophobicContact CE2-CD1 3.81Å; Y326-L332 HydrophobicContact CE2-CD2 4.29Å; Y326-L332 HydrophobicContact CE2-CG 3.63Å; Y326-L332 HydrophobicContact CG-CD1 3.95Å; Y326-L332 HydrophobicContact CG-CD2 4.3Å; Y326-L332 HydrophobicContact CG-CG 4.27Å; Y326-L332 VanDerWaalsContact CZ-CD1 3.47Å; Y326-P348 HydrophobicContact CD1-CB 3.72Å; Y326-P348 HydrophobicContact CE1-CB 3.69Å; Y326-P348 WeakPolarHBondContact CE1-O 3.18Å; Y326-T349 VanDerWaalsContact CD1-O 3.27Å; Y326-T349 WeakPolarHBondContact CD1-O 3.43Å; Y326-T349 PolarHBondContact N-O 2.81Å; Y326-K350 HydrophobicContact CD2-CG 4.46Å; Y326-K350 HydrophobicContact CE1-CG 3.91Å; Y326-K350 HydrophobicContact CE2-CD 4.33Å; Y326-K350 HydrophobicContact CE2-CG 3.64Å; Y326-K350 CarbonylContact O-C 3.5Å; Y326-K350 WeakPolarHBondContact OH-CE 3.11Å; Y326-K350 VanDerWaalsContact OH-CG 3.26Å; Y326-K350 WeakPolarHBondContact OH-CG 3.4Å; Y326-L351 PolarHBondContact O-N 3.48Å; Y326-Q386 CarbonylContact C-O 3.53Å; Y326-Q386 VanDerWaalsContact CA-O 3.31Å; Y326-Q386 WeakPolarHBondContact CA-O 3.26Å
327	N	90.7	Very high	85.7	Confident	18 Å²	18	45.7 Å²	45.7	10%	0.096	24%	0.24	C	C	.	.			trans	-60.4	139.3	-178.7	-166.6	-71.6	0	0	0	112.5	Q329 M330 T385 Q386	N327-Q329 PolarHBondContact O-N 3.06Å; N327-Q329 WeakPolarHBondContact OD1-CB 3.32Å; N327-Q329 PolarHBondContact OD1-N 2.86Å; N327-M330 HydrophobicContact CB-CG 4.08Å; N327-M330 HydrophobicContact CB-SD 3.81Å; N327-M330 WeakPolarHBondContact O-CB 3.37Å; N327-M330 PolarHBondContact O-N 2.81Å; N327-M330 VanDerWaalsContact O-N 3.08Å; N327-T385 WeakPolarHBondContact CB-O 3.47Å; N327-T385 PolarHBondContact ND2-O 3.17Å; N327-Q386 PolarHBondContact N-O 3.31Å
328	S	85.9	Confident	86.8	Confident	46 Å²	46	48.7 Å²	48.7	32%	0.322	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-29.2	-179.1	52.7	0	0	0	0	114.4	M330 L351	S328-M330 VanDerWaalsContact C-N 3.32Å; S328-L351 WeakPolarHBondContact CB-O 3.3Å
329	Q	85.3	Confident	87.4	Confident	171 Å²	171	49.9 Å²	49.9	80%	0.799	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-11.9	-179.5	-59	-173.6	-18.8	0	0	113.3	N327	N327-Q329 PolarHBondContact O-N 3.06Å; N327-Q329 WeakPolarHBondContact OD1-CB 3.32Å; N327-Q329 PolarHBondContact OD1-N 2.86Å
330	M	86.7	Confident	88.4	Confident	7 Å²	7	44.5 Å²	44.5	3%	0.034	24%	0.243	C	C	.	.			trans	-81.3	136	177.5	-71	166.6	40.3	0	0	111.8	Y326 N327 S328 L332 Q386 L531 L537	Y326-M330 HydrophobicContact CD2-CB 4.12Å; Y326-M330 HydrophobicContact CD2-CE 4.21Å; Y326-M330 HydrophobicContact CG-CE 4.44Å; N327-M330 HydrophobicContact CB-CG 4.08Å; N327-M330 HydrophobicContact CB-SD 3.81Å; N327-M330 WeakPolarHBondContact O-CB 3.37Å; N327-M330 PolarHBondContact O-N 2.81Å; N327-M330 VanDerWaalsContact O-N 3.08Å; S328-M330 VanDerWaalsContact C-N 3.32Å; M330-L332 HydrophobicContact CE-CD2 3.82Å; M330-Q386 HydrophobicContact SD-CB 4.48Å; M330-L531 HydrophobicContact CE-CD2 3.93Å; M330-L537 HydrophobicContact CE-CD1 3.29Å; M330-L537 HydrophobicContact CE-CG 4.4Å; M330-L537 HydrophobicContact SD-CD1 3.93Å
331	N	88.1	Confident	89.1	Confident	132 Å²	132	48.6 Å²	48.6	71%	0.706	26%	0.26	S	S	*	.			trans	-94.7	115.7	165.7	-66.1	-40.3	0	0	0	108.9	S532	N331-S532 WeakPolarHBondContact O-CB 3.36Å; N331-S532 PolarHBondContact O-OG 2.77Å
332	L	90.4	Very high	90	Very high	23 Å²	23	52.8 Å²	52.8	12%	0.12	28%	0.279	C	S	.	.			trans	-81.1	151.5	171.1	-59.6	-171	0	0	0	110.3	Y326 M330 F336 L337 P348 L531	Y326-L332 HydrophobicContact CD1-CD1 3.67Å; Y326-L332 HydrophobicContact CD1-CG 4.44Å; Y326-L332 HydrophobicContact CD2-CD1 4.03Å; Y326-L332 HydrophobicContact CD2-CD2 4.05Å; Y326-L332 HydrophobicContact CD2-CG 3.89Å; Y326-L332 HydrophobicContact CE1-CD1 3.43Å; Y326-L332 VanDerWaalsContact CE1-CD1 3.43Å; Y326-L332 HydrophobicContact CE1-CG 4.22Å; Y326-L332 HydrophobicContact CE2-CD1 3.81Å; Y326-L332 HydrophobicContact CE2-CD2 4.29Å; Y326-L332 HydrophobicContact CE2-CG 3.63Å; Y326-L332 HydrophobicContact CG-CD1 3.95Å; Y326-L332 HydrophobicContact CG-CD2 4.3Å; Y326-L332 HydrophobicContact CG-CG 4.27Å; Y326-L332 VanDerWaalsContact CZ-CD1 3.47Å; M330-L332 HydrophobicContact CE-CD2 3.82Å; L332-F336 HydrophobicContact CD1-CD1 4.28Å; L332-F336 HydrophobicContact CD1-CE1 4.33Å; L332-L337 HydrophobicContact CB-CD1 4.44Å; L332-L337 HydrophobicContact CB-CD2 4.28Å; L332-L337 HydrophobicContact CB-CG 4.2Å; L332-L337 HydrophobicContact CD1-CD2 3.88Å; L332-P348 HydrophobicContact CD1-CB 3.74Å; L332-P348 HydrophobicContact CD1-CG 4.04Å; L332-L531 CarbonylContact C-O 3.57Å; L332-L531 VanDerWaalsContact CA-O 3.27Å; L332-L531 WeakPolarHBondContact CA-O 3.39Å; L332-L531 HydrophobicContact CD2-CD2 3.39Å; L332-L531 HydrophobicContact CD2-CG 3.95Å
333	S	90.3	Very high	90.4	Very high	37 Å²	37	53.9 Å²	53.9	26%	0.259	28%	0.28	S	S	.	.			trans	-70	141.8	174.3	84.2	0	0	0	0	111.2	S335 F336 L337 G530 L531	S333-S335 PolarHBondContact O-N 3.16Å; S333-F336 PolarHBondContact O-N 2.83Å; S333-F336 WeakPolarHBondContact OG-CB 3.35Å; S333-F336 PolarHBondContact OG-N 3.12Å; S333-L337 PolarHBondContact O-N 2.9Å; S333-L337 VanDerWaalsContact O-N 3.07Å; S333-G530 WeakPolarHBondContact CB-O 3.41Å; S333-G530 PolarHBondContact OG-O 3.43Å; S333-L531 PolarHBondContact N-O 3.19Å
334	E	89.2	Confident	90.4	Very high	171 Å²	171	54.2 Å²	54.2	80%	0.799	28%	0.281	S	S	*	.	H	α-helix	trans	-61.1	-34.9	176.5	-64.5	-176.7	165.6	0	0	111.6	L337 S338	E334-L337 PolarHBondContact O-N 2.79Å; E334-S338 WeakPolarHBondContact O-CB 3.5Å; E334-S338 PolarHBondContact O-N 3.18Å
335	S	88.6	Confident	90.1	Very high	71 Å²	71	56.4 Å²	56.4	50%	0.497	30%	0.304	S	S	.	.	H	α-helix	trans	-61.6	-45.2	174.8	-176.7	0	0	0	0	111.9	S333 S338 Q339	S333-S335 PolarHBondContact O-N 3.16Å; S335-S338 PolarHBondContact O-N 2.82Å; S335-Q339 WeakPolarHBondContact O-CB 3.35Å; S335-Q339 WeakPolarHBondContact O-CG 3.35Å; S335-Q339 PolarHBondContact O-N 3.08Å; S335-Q339 PolarHBondContact OG-NE2 3.08Å
336	F	91.6	Very high	89.6	Confident	2 Å²	2	57.2 Å²	57.2	1%	0.009	31%	0.311	C	S	.	.	H	α-helix	trans	-64.9	-42.2	176.7	179.8	-105.8	0	0	0	111.7	L280 I324 L332 S333 S340 P348 G530 L531	L280-F336 HydrophobicContact CB-CD2 3.84Å; L280-F336 HydrophobicContact CB-CE2 3.85Å; I324-F336 HydrophobicContact CD1-CZ 3.88Å; L332-F336 HydrophobicContact CD1-CD1 4.28Å; L332-F336 HydrophobicContact CD1-CE1 4.33Å; S333-F336 PolarHBondContact O-N 2.83Å; S333-F336 WeakPolarHBondContact OG-CB 3.35Å; S333-F336 PolarHBondContact OG-N 3.12Å; F336-S340 WeakPolarHBondContact O-CB 3.26Å; F336-S340 PolarHBondContact O-N 3.43Å; F336-S340 PolarHBondContact O-OG 3.43Å; F336-P348 HydrophobicContact CD1-CG 4.31Å; F336-P348 HydrophobicContact CE1-CG 3.65Å; F336-P348 HydrophobicContact CZ-CG 4.45Å; F336-G530 WeakPolarHBondContact CB-O 3.43Å; F336-L531 HydrophobicContact CD1-CB 4.47Å; F336-L531 HydrophobicContact CD1-CG 4.05Å; F336-L531 HydrophobicContact CD2-CB 4.45Å; F336-L531 HydrophobicContact CE1-CB 4.45Å; F336-L531 HydrophobicContact CE1-CD1 3.77Å; F336-L531 HydrophobicContact CE1-CG 3.74Å; F336-L531 HydrophobicContact CE2-CB 4.46Å; F336-L531 HydrophobicContact CE2-CD1 4.24Å; F336-L531 HydrophobicContact CE2-CG 4.46Å; F336-L531 HydrophobicContact CG-CB 4.46Å; F336-L531 HydrophobicContact CZ-CB 4.47Å; F336-L531 HydrophobicContact CZ-CD1 3.6Å; F336-L531 HydrophobicContact CZ-CG 3.98Å
337	L	91.7	Very high	89.1	Confident	54 Å²	54	62 Å²	62	28%	0.283	33%	0.334	S	S	.	.	H	α-helix	trans	-61.4	-48.1	175.7	-68.8	174.9	0	0	0	111.7	L332 S333 E334 S340 F341 P348	L332-L337 HydrophobicContact CB-CD1 4.44Å; L332-L337 HydrophobicContact CB-CD2 4.28Å; L332-L337 HydrophobicContact CB-CG 4.2Å; L332-L337 HydrophobicContact CD1-CD2 3.88Å; S333-L337 PolarHBondContact O-N 2.9Å; S333-L337 VanDerWaalsContact O-N 3.07Å; E334-L337 PolarHBondContact O-N 2.79Å; L337-S340 WeakPolarHBondContact O-CB 3.43Å; L337-S340 PolarHBondContact O-N 2.96Å; L337-F341 PolarHBondContact O-N 3Å; L337-P348 HydrophobicContact CD2-CG 4.23Å
338	S	91.1	Very high	89.1	Confident	75 Å²	75	61.6 Å²	61.6	52%	0.524	33%	0.332	S	S	.	.	H	α-helix	trans	-60.2	-51.5	179.1	-172.8	0	0	0	0	111.9	E334 S335 S340 F341 E342	E334-S338 WeakPolarHBondContact O-CB 3.5Å; E334-S338 PolarHBondContact O-N 3.18Å; S335-S338 PolarHBondContact O-N 2.82Å; S338-S340 VanDerWaalsContact C-N 3.33Å; S338-S340 PolarHBondContact O-N 3.37Å; S338-F341 PolarHBondContact O-N 3.01Å; S338-E342 WeakPolarHBondContact O-CB 2.85Å; S338-E342 PolarHBondContact O-N 3.32Å
339	Q	91.6	Very high	89.4	Confident	34 Å²	34	61.4 Å²	61.4	16%	0.159	33%	0.329	C	S	.	.	H	α-helix	trans	-66.8	-32.6	178.9	-68.7	-178.8	76.1	0	0	112.8	L280 S335 E342 Y343	L280-Q339 HydrophobicContact CD1-CB 3.77Å; L280-Q339 HydrophobicContact CD2-CB 3.99Å; L280-Q339 HydrophobicContact CG-CB 4.49Å; S335-Q339 WeakPolarHBondContact O-CB 3.35Å; S335-Q339 WeakPolarHBondContact O-CG 3.35Å; S335-Q339 PolarHBondContact O-N 3.08Å; S335-Q339 PolarHBondContact OG-NE2 3.08Å; Q339-E342 PolarHBondContact O-N 3.11Å; Q339-Y343 HydrophobicContact CB-CD2 4.1Å; Q339-Y343 HydrophobicContact CB-CE2 4.23Å; Q339-Y343 HydrophobicContact CG-CE2 4.23Å; Q339-Y343 WeakPolarHBondContact O-CD2 3.38Å; Q339-Y343 PolarHBondContact O-N 3.24Å
340	S	92.7	Very high	89.8	Confident	0 Å²	0	58 Å²	58	0%	0	31%	0.312	C	S	.	.	I	π-helix	trans	-60.1	-46	172.6	-67.6	0	0	0	0	111.5	H277 F336 L337 S338 Y344 G345 A346	H277-S340 WeakPolarHBondContact NE2-CB 3.21Å; H277-S340 PolarHBondContact NE2-OG 3.11Å; F336-S340 WeakPolarHBondContact O-CB 3.26Å; F336-S340 PolarHBondContact O-N 3.43Å; F336-S340 PolarHBondContact O-OG 3.43Å; L337-S340 WeakPolarHBondContact O-CB 3.43Å; L337-S340 PolarHBondContact O-N 2.96Å; S338-S340 VanDerWaalsContact C-N 3.33Å; S338-S340 PolarHBondContact O-N 3.37Å; S340-Y344 CarbonylContact O-C 3.52Å; S340-Y344 WeakPolarHBondContact O-CA 3.36Å; S340-Y344 WeakPolarHBondContact O-CB 3.45Å; S340-Y344 PolarHBondContact O-N 3.41Å; S340-G345 PolarHBondContact O-N 2.95Å; S340-A346 CarbonylContact C-O 3.6Å; S340-A346 WeakPolarHBondContact CB-O 3.3Å
341	F	91.3	Very high	90	Very high	126 Å²	126	58 Å²	58	55%	0.553	31%	0.312	S	S	*	.	I	π-helix	trans	-68	-45.8	174.8	-174.9	-98.9	0	0	0	111.6	L337 S338 G345 E347	L337-F341 PolarHBondContact O-N 3Å; S338-F341 PolarHBondContact O-N 3.01Å; F341-G345 WeakPolarHBondContact O-CA 3.14Å; F341-G345 PolarHBondContact O-N 3.47Å; F341-E347 HydrophobicContact CB-CG 4.2Å; F341-E347 HydrophobicContact CD2-CG 4.06Å
342	E	91.1	Very high	90.1	Very high	90 Å²	90	55.5 Å²	55.5	42%	0.421	30%	0.298	S	S	.	.	I	π-helix	trans	-61.9	-48.6	-175.6	-175.6	-179.8	171.6	0	0	113.5	K308 S338 Q339	K308-E342 WeakPolarHBondContact CD-O 3.26Å; K308-E342 WeakPolarHBondContact CE-O 3.5Å; K308-E342 PolarHBondContact NZ-O 3.42Å; S338-E342 WeakPolarHBondContact O-CB 2.85Å; S338-E342 PolarHBondContact O-N 3.32Å; Q339-E342 PolarHBondContact O-N 3.11Å
343	Y	91.3	Very high	89.9	Confident	42 Å²	42	63.2 Å²	63.2	17%	0.165	33%	0.333	C	S	.	.	I	π-helix	trans	-93.1	-37.1	-174.2	-62.6	-57.3	0	0	0	113.1	L280 H304 K308 Q339	L280-Y343 HydrophobicContact CD2-CD2 4.23Å; H304-Y343 HydrophobicContact CB-CD1 4.05Å; H304-Y343 HydrophobicContact CB-CD2 3.56Å; H304-Y343 HydrophobicContact CB-CE1 4.41Å; H304-Y343 HydrophobicContact CB-CE2 3.92Å; H304-Y343 HydrophobicContact CB-CG 3.63Å; K308-Y343 HydrophobicContact CB-CD1 4.38Å; K308-Y343 WeakPolarHBondContact CB-O 3.37Å; K308-Y343 HydrophobicContact CD-CD1 4.2Å; Q339-Y343 HydrophobicContact CB-CD2 4.1Å; Q339-Y343 HydrophobicContact CB-CE2 4.23Å; Q339-Y343 HydrophobicContact CG-CE2 4.23Å; Q339-Y343 WeakPolarHBondContact O-CD2 3.38Å; Q339-Y343 PolarHBondContact O-N 3.24Å
344	Y	90.6	Very high	89.8	Confident	19 Å²	19	63.5 Å²	63.5	8%	0.075	34%	0.335	C	S	.	.	I	π-helix	trans	-106.8	-10	-174	-58.6	-83.4	0	0	0	113.6	A273 S276 H277 L280 H304 M307 K311 S340 A346	A273-Y344 WeakPolarHBondContact O-CE1 3.3Å; S276-Y344 VanDerWaalsContact C-OH 3.26Å; S276-Y344 PolarHBondContact O-OH 3.29Å; S276-Y344 VanDerWaalsContact O-OH 3.06Å; S276-Y344 PolarHBondContact OG-OH 2.81Å; H277-Y344 HydrophobicContact CB-CD1 3.94Å; H277-Y344 HydrophobicContact CB-CD2 4.05Å; H277-Y344 HydrophobicContact CB-CE1 4.08Å; H277-Y344 HydrophobicContact CB-CE2 4.2Å; H277-Y344 HydrophobicContact CB-CG 3.95Å; H277-Y344 AromaticContact CD2-CD2 3.82Å; H277-Y344 AromaticContact CG-CD2 3.89Å; H277-Y344 AromaticContact CG-CG 3.86Å; L280-Y344 HydrophobicContact CD1-CD2 3.91Å; L280-Y344 HydrophobicContact CD1-CE2 3.61Å; L280-Y344 HydrophobicContact CG-CE2 4.08Å; H304-Y344 AromaticContact ND1-CE2 3.89Å; H304-Y344 AromaticContact ND1-CZ 3.8Å; H304-Y344 PolarHBondContact ND1-OH 3.24Å; M307-Y344 HydrophobicContact CB-CE1 4.32Å; K311-Y344 PolarHBondContact NZ-O 2.95Å; S340-Y344 CarbonylContact O-C 3.52Å; S340-Y344 WeakPolarHBondContact O-CA 3.36Å; S340-Y344 WeakPolarHBondContact O-CB 3.45Å; S340-Y344 PolarHBondContact O-N 3.41Å; Y344-A346 PolarHBondContact O-N 3.26Å
345	G	87.2	Confident	89.8	Confident	47 Å²	47	56.5 Å²	56.5	49%	0.485	31%	0.306	S	S	.	.	S	Bend	trans	55.2	33.3	-177	0	0	0	0	0	112.4	S340 F341	S340-G345 PolarHBondContact O-N 2.95Å; F341-G345 WeakPolarHBondContact O-CA 3.14Å; F341-G345 PolarHBondContact O-N 3.47Å
346	A	83.8	Confident	89.9	Confident	19 Å²	19	58.1 Å²	58.1	16%	0.157	31%	0.305	C	S	.	.			trans	-145.5	109.6	-173.7	0	0	0	0	0	109.2	H277 S340 Y344	H277-A346 PolarHBondContact CE1-O 3.27Å; S340-A346 CarbonylContact C-O 3.6Å; S340-A346 WeakPolarHBondContact CB-O 3.3Å; Y344-A346 PolarHBondContact O-N 3.26Å
347	E	82.4	Confident	89.9	Confident	117 Å²	117	63 Å²	63	55%	0.547	33%	0.328	S	S	.	.			trans	-81	130.2	170.2	-68	178.9	167	0	0	109.5	Q323 F341	Q323-E347 PolarHBondContact NE2-O 3.19Å; Q323-E347 PolarHBondContact OE1-O 2.87Å; Q323-E347 VanDerWaalsContact OE1-O 3.12Å; F341-E347 HydrophobicContact CB-CG 4.2Å; F341-E347 HydrophobicContact CD2-CG 4.06Å
348	P	90.3	Very high	89.9	Confident	10 Å²	10	60.9 Å²	60.9	7%	0.065	32%	0.317	C	S	.	.			trans	-50.3	141	170.9	-26.1	33.3	0	0	0	111.7	I324 Y326 L332 F336 L337	I324-P348 HydrophobicContact CB-CB 4.19Å; I324-P348 HydrophobicContact CB-CG 4.41Å; I324-P348 HydrophobicContact CG2-CB 4.41Å; I324-P348 CarbonylContact O-C 3.56Å; I324-P348 VanDerWaalsContact O-CA 3.27Å; I324-P348 WeakPolarHBondContact O-CA 3.45Å; Y326-P348 HydrophobicContact CD1-CB 3.72Å; Y326-P348 HydrophobicContact CE1-CB 3.69Å; Y326-P348 WeakPolarHBondContact CE1-O 3.18Å; L332-P348 HydrophobicContact CD1-CB 3.74Å; L332-P348 HydrophobicContact CD1-CG 4.04Å; F336-P348 HydrophobicContact CD1-CG 4.31Å; F336-P348 HydrophobicContact CE1-CG 3.65Å; F336-P348 HydrophobicContact CZ-CG 4.45Å; L337-P348 HydrophobicContact CD2-CG 4.23Å
349	T	92.7	Very high	90	Very high	42 Å²	42	59 Å²	59	26%	0.258	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	132.8	-176.9	-65.4	0	0	0	0	111.8	Q323 I324 Y325 Y326 M361	Q323-T349 PolarHBondContact NE2-OG1 3.03Å; I324-T349 PolarHBondContact O-N 2.92Å; Y325-T349 VanDerWaalsContact CA-O 3.29Å; Y325-T349 WeakPolarHBondContact CA-O 3.34Å; Y325-T349 HydrophobicContact CD1-CG2 3.85Å; Y325-T349 HydrophobicContact CE1-CG2 3.62Å; Y326-T349 VanDerWaalsContact CD1-O 3.27Å; Y326-T349 WeakPolarHBondContact CD1-O 3.43Å; Y326-T349 PolarHBondContact N-O 2.81Å; T349-M361 HydrophobicContact CG2-CE 4.3Å; T349-M361 HydrophobicContact CG2-SD 4.1Å
350	K	93.1	Very high	90.1	Very high	99 Å²	99	65 Å²	65	43%	0.43	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	133.8	172.7	-68	-169.5	176.8	-156.6	0	110.5	Y326	Y326-K350 HydrophobicContact CD2-CG 4.46Å; Y326-K350 HydrophobicContact CE1-CG 3.91Å; Y326-K350 HydrophobicContact CE2-CD 4.33Å; Y326-K350 HydrophobicContact CE2-CG 3.64Å; Y326-K350 CarbonylContact O-C 3.5Å; Y326-K350 WeakPolarHBondContact OH-CE 3.11Å; Y326-K350 VanDerWaalsContact OH-CG 3.26Å; Y326-K350 WeakPolarHBondContact OH-CG 3.4Å
351	L	91.9	Very high	90.1	Very high	8 Å²	8	67.6 Å²	67.6	4%	0.042	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-68.8	146.2	161.9	-65.9	172.8	0	0	0	109.5	Y325 Y326 S328 N358 I362 L381 T385 I388	Y325-L351 HydrophobicContact CD1-CD2 4.06Å; Y325-L351 HydrophobicContact CG-CD2 4.27Å; Y326-L351 PolarHBondContact O-N 3.48Å; S328-L351 WeakPolarHBondContact CB-O 3.3Å; L351-N358 VanDerWaalsContact CA-OD1 3.31Å; L351-N358 WeakPolarHBondContact CA-OD1 3.31Å; L351-N358 HydrophobicContact CD2-CB 4.22Å; L351-N358 WeakPolarHBondContact CD2-OD1 3.42Å; L351-I362 HydrophobicContact CD2-CD1 4.22Å; L351-L381 HydrophobicContact CD2-CD2 4.18Å; L351-T385 HydrophobicContact CD1-CG2 3.85Å; L351-I388 HydrophobicContact CD1-CD1 4.31Å; L351-I388 HydrophobicContact CD2-CD1 4.15Å
352	L	90.1	Very high	90.2	Very high	80 Å²	80	61.6 Å²	61.6	42%	0.419	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-81.3	170.4	170.4	-55.4	174.2	0	0	0	110.1	S354 E357 N358 M361	L352-S354 VanDerWaalsContact C-N 3.35Å; L352-E357 HydrophobicContact CD1-CB 3.65Å; L352-N358 PolarHBondContact N-OD1 3.46Å; L352-N358 PolarHBondContact O-ND2 3.26Å; L352-M361 HydrophobicContact CG-CE 4.34Å
353	E	84.8	Confident	90.3	Very high	184 Å²	184	58.4 Å²	58.4	86%	0.86	29%	0.294	S	S	*	.	S	Bend	trans	-72.3	-28.6	177.8	-60.6	-177.2	171.1	0	0	112.6
354	S	89	Confident	90.4	Very high	43 Å²	43	59.3 Å²	59.3	30%	0.301	31%	0.31	S	S	.	.			trans	-90.5	123.4	179.3	176.8	0	0	0	0	112.2	L352 E356 E357 N358	L352-S354 VanDerWaalsContact C-N 3.35Å; S354-E356 VanDerWaalsContact C-N 3.27Å; S354-E356 PolarHBondContact O-N 2.98Å; S354-E356 PolarHBondContact OG-N 2.67Å; S354-E357 PolarHBondContact O-N 1.99Å; S354-E357 PolarHBondContact OG-N 2.88Å; S354-N358 PolarHBondContact O-N 2.82Å; S354-N358 PolarHBondContact O-ND2 3Å; S354-N358 VanDerWaalsContact O-ND2 3.08Å
355	S	88.6	Confident	90.4	Very high	25 Å²	25	60.8 Å²	60.8	18%	0.175	32%	0.316	C	S	.	.	H	α-helix	trans	-55.8	-40.8	170.9	172.3	0	0	0	0	112.1	E357 N358 M359 L381	S355-E357 PolarHBondContact O-N 2.79Å; S355-N358 WeakPolarHBondContact O-CB 3.41Å; S355-N358 PolarHBondContact O-N 2.87Å; S355-M359 WeakPolarHBondContact O-CG 3.34Å; S355-M359 PolarHBondContact O-N 2.86Å; S355-L381 WeakPolarHBondContact CB-O 3.27Å; S355-L381 PolarHBondContact OG-O 3.23Å
356	E	90.6	Very high	90.4	Very high	104 Å²	104	58.5 Å²	58.5	49%	0.486	29%	0.293	S	S	.	.	H	α-helix	trans	-66.5	-41.3	-179.9	-168.5	-177	-176.2	0	0	112.1	S354 M359 R360	S354-E356 VanDerWaalsContact C-N 3.27Å; S354-E356 PolarHBondContact O-N 2.98Å; S354-E356 PolarHBondContact OG-N 2.67Å; E356-M359 PolarHBondContact O-N 2.8Å; E356-R360 VanDerWaalsContact O-CG 3.29Å; E356-R360 WeakPolarHBondContact O-CG 3.44Å; E356-R360 PolarHBondContact O-N 2.93Å; E356-R360 IonicContact OE1-CZ 3.72Å; E356-R360 IonicContact OE1-NE 2.68Å; E356-R360 PolarHBondContact OE1-NE 3.02Å; E356-R360 IonicContact OE1-NH2 2.59Å; E356-R360 PolarHBondContact OE1-NH2 2.83Å; E356-R360 IonicContact OE2-NH2 2.77Å
357	E	91.8	Very high	90.7	Very high	105 Å²	105	58.2 Å²	58.2	49%	0.491	29%	0.29	S	S	.	.	H	α-helix	trans	-67.5	-38.4	176.5	-62.4	-177.1	152.4	0	0	111.4	L352 S354 S355 R360 M361	L352-E357 HydrophobicContact CD1-CB 3.65Å; S354-E357 PolarHBondContact O-N 1.99Å; S354-E357 PolarHBondContact OG-N 2.88Å; S355-E357 PolarHBondContact O-N 2.79Å; E357-R360 PolarHBondContact O-N 2.97Å; E357-M361 VanDerWaalsContact O-CB 3.29Å; E357-M361 WeakPolarHBondContact O-CB 2.94Å; E357-M361 PolarHBondContact O-N 3.33Å
358	N	92.3	Very high	91	Very high	9 Å²	9	58.4 Å²	58.4	5%	0.048	30%	0.295	C	S	.	.	H	α-helix	trans	-59.4	-48.7	172.6	-78	-43.2	0	0	0	112.3	L351 L352 S354 S355 R360 M361 I362 L381	L351-N358 VanDerWaalsContact CA-OD1 3.31Å; L351-N358 WeakPolarHBondContact CA-OD1 3.31Å; L351-N358 HydrophobicContact CD2-CB 4.22Å; L351-N358 WeakPolarHBondContact CD2-OD1 3.42Å; L352-N358 PolarHBondContact N-OD1 3.46Å; L352-N358 PolarHBondContact O-ND2 3.26Å; S354-N358 PolarHBondContact O-N 2.82Å; S354-N358 PolarHBondContact O-ND2 3Å; S354-N358 VanDerWaalsContact O-ND2 3.08Å; S355-N358 WeakPolarHBondContact O-CB 3.41Å; S355-N358 PolarHBondContact O-N 2.87Å; N358-R360 VanDerWaalsContact C-N 3.34Å; N358-R360 PolarHBondContact O-N 2.9Å; N358-M361 PolarHBondContact O-N 2.86Å; N358-M361 WeakPolarHBondContact OD1-CE 3.33Å; N358-I362 WeakPolarHBondContact O-CB 3.5Å; N358-I362 VanDerWaalsContact O-CG1 3.26Å; N358-I362 WeakPolarHBondContact O-CG1 3.46Å; N358-I362 PolarHBondContact O-N 2.97Å; N358-L381 HydrophobicContact CB-CD2 3.62Å
359	M	92.4	Very high	90.7	Very high	37 Å²	37	62.4 Å²	62.4	18%	0.182	31%	0.311	C	S	.	.	H	α-helix	trans	-59.9	-43.5	177	-72.2	-172	-74.8	0	0	111.8	S355 E356 N363 I378 D380 L381	S355-M359 WeakPolarHBondContact O-CG 3.34Å; S355-M359 PolarHBondContact O-N 2.86Å; E356-M359 PolarHBondContact O-N 2.8Å; M359-N363 VanDerWaalsContact O-CB 3.29Å; M359-N363 WeakPolarHBondContact O-CB 3.45Å; M359-N363 PolarHBondContact O-N 2.7Å; M359-N363 PolarHBondContact O-ND2 3.4Å; M359-I378 HydrophobicContact CG-CG2 4.14Å; M359-D380 WeakPolarHBondContact SD-CA 3.01Å; M359-D380 PolarHBondContact SD-N 2.71Å; M359-L381 HydrophobicContact CG-CB 4.12Å
360	R	93.3	Very high	90.1	Very high	159 Å²	159	60.4 Å²	60.4	60%	0.6	30%	0.299	S	S	*	.	H	α-helix	trans	-63.1	-45.9	175.9	-69.9	171.5	-177.2	-169.3	2.9	111.7	E356 E357 N358 A364	E356-R360 VanDerWaalsContact O-CG 3.29Å; E356-R360 WeakPolarHBondContact O-CG 3.44Å; E356-R360 PolarHBondContact O-N 2.93Å; E356-R360 IonicContact OE1-CZ 3.72Å; E356-R360 IonicContact OE1-NE 2.68Å; E356-R360 PolarHBondContact OE1-NE 3.02Å; E356-R360 IonicContact OE1-NH2 2.59Å; E356-R360 PolarHBondContact OE1-NH2 2.83Å; E356-R360 IonicContact OE2-NH2 2.77Å; E357-R360 PolarHBondContact O-N 2.97Å; N358-R360 VanDerWaalsContact C-N 3.34Å; N358-R360 PolarHBondContact O-N 2.9Å; R360-A364 WeakPolarHBondContact O-CB 3.42Å; R360-A364 PolarHBondContact O-N 3.21Å
361	M	93.9	Very high	89.6	Confident	54 Å²	54	59.3 Å²	59.3	27%	0.266	30%	0.298	S	S	.	.	H	α-helix	trans	-59.9	-49.2	177.5	175.1	179.3	60.7	0	0	111.7	Y325 T349 L352 E357 N358 W365	Y325-M361 HydrophobicContact CD1-CE 4.16Å; Y325-M361 HydrophobicContact CE1-CE 3.93Å; T349-M361 HydrophobicContact CG2-CE 4.3Å; T349-M361 HydrophobicContact CG2-SD 4.1Å; L352-M361 HydrophobicContact CG-CE 4.34Å; E357-M361 VanDerWaalsContact O-CB 3.29Å; E357-M361 WeakPolarHBondContact O-CB 2.94Å; E357-M361 PolarHBondContact O-N 3.33Å; N358-M361 PolarHBondContact O-N 2.86Å; N358-M361 WeakPolarHBondContact OD1-CE 3.33Å; M361-W365 WeakPolarHBondContact O-CB 3.45Å; M361-W365 PolarHBondContact O-N 3.28Å
362	I	92.7	Very high	89.4	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-63.1	-50.7	-179.1	-73.1	166.2	0	0	0	110.8	Y325 L351 N358 A364 W365 V366 I377 I378 L381 I388 L390	Y325-I362 HydrophobicContact CD1-CD1 4.45Å; Y325-I362 HydrophobicContact CD1-CG1 4.12Å; Y325-I362 HydrophobicContact CD2-CG1 4.31Å; Y325-I362 HydrophobicContact CE1-CG1 3.75Å; Y325-I362 HydrophobicContact CE2-CG1 3.98Å; Y325-I362 HydrophobicContact CG-CD1 4.44Å; Y325-I362 HydrophobicContact CG-CG1 4.38Å; L351-I362 HydrophobicContact CD2-CD1 4.22Å; N358-I362 WeakPolarHBondContact O-CB 3.5Å; N358-I362 VanDerWaalsContact O-CG1 3.26Å; N358-I362 WeakPolarHBondContact O-CG1 3.46Å; N358-I362 PolarHBondContact O-N 2.97Å; I362-A364 PolarHBondContact O-N 3.42Å; I362-W365 PolarHBondContact O-N 3.31Å; I362-V366 PolarHBondContact O-N 3.36Å; I362-I377 HydrophobicContact CG2-CG2 4.16Å; I362-I378 HydrophobicContact CD1-CD1 4.19Å; I362-I378 HydrophobicContact CG2-CD1 3.98Å; I362-I378 HydrophobicContact CG2-CG1 4.32Å; I362-L381 HydrophobicContact CD1-CD2 4.33Å; I362-I388 HydrophobicContact CD1-CD1 4.03Å; I362-L390 HydrophobicContact CG2-CD1 4.48Å; I362-L390 HydrophobicContact CG2-CD2 3.52Å
363	N	93.1	Very high	89.1	Confident	24 Å²	24	64.4 Å²	64.4	13%	0.128	32%	0.321	C	S	.	.	H	α-helix	trans	-66.4	-37	-179.1	-72.9	-41.1	0	0	0	112	M359 V366 A367 N376 I377 I378	M359-N363 VanDerWaalsContact O-CB 3.29Å; M359-N363 WeakPolarHBondContact O-CB 3.45Å; M359-N363 PolarHBondContact O-N 2.7Å; M359-N363 PolarHBondContact O-ND2 3.4Å; N363-V366 PolarHBondContact O-N 3.42Å; N363-A367 WeakPolarHBondContact O-CB 3.46Å; N363-A367 PolarHBondContact O-N 2.79Å; N363-N376 PolarHBondContact ND2-OD1 2.83Å; N363-N376 WeakPolarHBondContact OD1-CA 3.47Å; N363-N376 PolarHBondContact OD1-OD1 2.91Å; N363-I377 VanDerWaalsContact OD1-CG2 3.31Å; N363-I377 WeakPolarHBondContact OD1-CG2 3.26Å; N363-I377 PolarHBondContact OD1-N 2.81Å; N363-I378 PolarHBondContact ND2-O 3.29Å; N363-I378 PolarHBondContact OD1-N 3.21Å
364	A	93.1	Very high	89	Confident	61 Å²	61	55.8 Å²	55.8	50%	0.504	28%	0.281	S	S	.	.	H	α-helix	trans	-65.1	-39.3	173.7	0	0	0	0	0	112.7	R360 I362 A367 N368	R360-A364 WeakPolarHBondContact O-CB 3.42Å; R360-A364 PolarHBondContact O-N 3.21Å; I362-A364 PolarHBondContact O-N 3.42Å; A364-A367 PolarHBondContact O-N 3.03Å; A364-N368 WeakPolarHBondContact O-CB 2.86Å; A364-N368 PolarHBondContact O-N 3.29Å
365	W	90.8	Very high	88.8	Confident	49 Å²	49	58 Å²	58	19%	0.186	29%	0.293	C	S	.	.	H	α-helix	trans	-63.2	-44.4	174.2	178.2	98.1	0	0	0	111.4	G321 Q323 M361 I362 N368 K369 L390	G321-W365 VanDerWaalsContact C-CH2 3.43Å; Q323-W365 HydrophobicContact CB-CH2 3.52Å; Q323-W365 HydrophobicContact CB-CZ2 3.53Å; Q323-W365 HydrophobicContact CB-CZ3 4.14Å; Q323-W365 HydrophobicContact CG-CZ2 4.32Å; M361-W365 WeakPolarHBondContact O-CB 3.45Å; M361-W365 PolarHBondContact O-N 3.28Å; I362-W365 PolarHBondContact O-N 3.31Å; W365-N368 PolarHBondContact O-N 2.94Å; W365-K369 HydrophobicContact CD2-CG 3.98Å; W365-K369 HydrophobicContact CE3-CG 4.3Å; W365-K369 HydrophobicContact CH2-CG 4.23Å; W365-K369 HydrophobicContact CZ2-CD 4.35Å; W365-K369 HydrophobicContact CZ2-CG 3.88Å; W365-K369 HydrophobicContact CZ3-CG 4.42Å; W365-K369 WeakPolarHBondContact O-CG 3.36Å; W365-K369 PolarHBondContact O-N 3.42Å; W365-L390 HydrophobicContact CE3-CD2 3.92Å; W365-L390 HydrophobicContact CZ3-CD2 3.81Å; W365-L390 HydrophobicContact CZ3-CG 4.34Å
366	V	88.5	Confident	88.7	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-64.2	-43.3	175.9	167	0	0	0	0	112.3	I362 N363 N368 K369 T370 I374 I377 L390 A392	I362-V366 PolarHBondContact O-N 3.36Å; N363-V366 PolarHBondContact O-N 3.42Å; V366-N368 VanDerWaalsContact C-N 3.32Å; V366-N368 PolarHBondContact O-N 3.17Å; V366-K369 PolarHBondContact O-N 3.32Å; V366-T370 HydrophobicContact CG1-CG2 4.31Å; V366-T370 WeakPolarHBondContact O-CB 3.3Å; V366-T370 WeakPolarHBondContact O-CG2 3.43Å; V366-T370 PolarHBondContact O-N 3.05Å; V366-T370 PolarHBondContact O-OG1 3.06Å; V366-I374 HydrophobicContact CG1-CB 3.9Å; V366-I374 HydrophobicContact CG1-CG2 3.57Å; V366-I377 HydrophobicContact CB-CG2 4.19Å; V366-I377 HydrophobicContact CG1-CG2 4.3Å; V366-I377 HydrophobicContact CG2-CG2 3.73Å; V366-L390 HydrophobicContact CG2-CD2 3.71Å; V366-L390 HydrophobicContact CG2-CG 4.36Å; V366-A392 HydrophobicContact CB-CB 4.17Å; V366-A392 HydrophobicContact CG1-CB 3.51Å; V366-A392 HydrophobicContact CG2-CB 3.71Å
367	A	89.6	Confident	88.5	Confident	12 Å²	12	54.8 Å²	54.8	10%	0.099	28%	0.278	C	S	.	.	H	α-helix	trans	-58	-45.6	175.1	0	0	0	0	0	111.2	N363 A364 T370 N371 N372 I374	N363-A367 WeakPolarHBondContact O-CB 3.46Å; N363-A367 PolarHBondContact O-N 2.79Å; A364-A367 PolarHBondContact O-N 3.03Å; A367-T370 PolarHBondContact O-N 3.16Å; A367-N371 PolarHBondContact O-N 3.06Å; A367-N371 VanDerWaalsContact O-N 3.11Å; A367-N372 PolarHBondContact O-N 3.49Å; A367-I374 VanDerWaalsContact CA-O 3.26Å; A367-I374 WeakPolarHBondContact CA-O 3.41Å; A367-I374 PolarHBondContact N-O 3.31Å
368	N	88.6	Confident	88.2	Confident	122 Å²	122	50 Å²	50	65%	0.652	26%	0.255	S	S	*	.	H	α-helix	trans	-62.2	-52.1	176.2	-173	18.1	0	0	0	112.1	A364 W365 V366 T370 N371	A364-N368 WeakPolarHBondContact O-CB 2.86Å; A364-N368 PolarHBondContact O-N 3.29Å; W365-N368 PolarHBondContact O-N 2.94Å; V366-N368 VanDerWaalsContact C-N 3.32Å; V366-N368 PolarHBondContact O-N 3.17Å; N368-T370 PolarHBondContact O-N 3.29Å; N368-N371 PolarHBondContact O-N 2.87Å
369	K	84.1	Confident	87.8	Confident	94 Å²	94	55.6 Å²	55.6	41%	0.409	29%	0.285	S	S	.	.	H	α-helix	trans	-61.4	-30.3	-178.7	-67.7	-65.7	-178.3	179.2	0	113.4	W365 V366	W365-K369 HydrophobicContact CD2-CG 3.98Å; W365-K369 HydrophobicContact CE3-CG 4.3Å; W365-K369 HydrophobicContact CH2-CG 4.23Å; W365-K369 HydrophobicContact CZ2-CD 4.35Å; W365-K369 HydrophobicContact CZ2-CG 3.88Å; W365-K369 HydrophobicContact CZ3-CG 4.42Å; W365-K369 WeakPolarHBondContact O-CG 3.36Å; W365-K369 PolarHBondContact O-N 3.42Å; V366-K369 PolarHBondContact O-N 3.32Å
370	T	79.5	Confident	87.5	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	8.6	-178.3	67.1	0	0	0	0	114	V366 A367 N368 N372 K373 I374 A392 S394	V366-T370 HydrophobicContact CG1-CG2 4.31Å; V366-T370 WeakPolarHBondContact O-CB 3.3Å; V366-T370 WeakPolarHBondContact O-CG2 3.43Å; V366-T370 PolarHBondContact O-N 3.05Å; V366-T370 PolarHBondContact O-OG1 3.06Å; A367-T370 PolarHBondContact O-N 3.16Å; N368-T370 PolarHBondContact O-N 3.29Å; T370-N372 VanDerWaalsContact C-N 3.27Å; T370-N372 PolarHBondContact O-N 3.26Å; T370-K373 WeakPolarHBondContact O-CB 3.44Å; T370-K373 VanDerWaalsContact O-CG 3.3Å; T370-K373 WeakPolarHBondContact O-CG 3.27Å; T370-K373 PolarHBondContact O-N 3.48Å; T370-K373 VanDerWaalsContact O-N 3.13Å; T370-I374 HydrophobicContact CG2-CB 4.13Å; T370-I374 HydrophobicContact CG2-CD1 4.07Å; T370-I374 HydrophobicContact CG2-CG1 4.32Å; T370-I374 PolarHBondContact OG1-N 2.85Å; T370-I374 PolarHBondContact OG1-O 3.44Å; T370-I374 VanDerWaalsContact OG1-O 3.1Å; T370-A392 HydrophobicContact CG2-CB 4.03Å; T370-S394 WeakPolarHBondContact CA-OG 3.17Å
371	N	84.1	Confident	87.2	Confident	75 Å²	75	52.8 Å²	52.8	40%	0.401	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.2	41.8	-176.6	-33.8	-94.7	0	0	0	112.5	K319 A367 N368 K373	K319-N371 WeakPolarHBondContact CD-ND2 3.39Å; K319-N371 PolarHBondContact NZ-OD1 2.85Å; A367-N371 PolarHBondContact O-N 3.06Å; A367-N371 VanDerWaalsContact O-N 3.11Å; N368-N371 PolarHBondContact O-N 2.87Å; N371-K373 PolarHBondContact O-N 2.92Å
372	N	86.9	Confident	86.7	Confident	114 Å²	114	53 Å²	53	61%	0.61	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.4	17.4	-176.5	-52.9	-75.2	0	0	0	115.3	A367 T370 T375	A367-N372 PolarHBondContact O-N 3.49Å; T370-N372 VanDerWaalsContact C-N 3.27Å; T370-N372 PolarHBondContact O-N 3.26Å; N372-T375 HydrophobicContact CB-CG2 4.37Å
373	K	83.4	Confident	86.1	Confident	81 Å²	81	57.7 Å²	57.7	35%	0.352	32%	0.32	S	S	.	.	S	Bend	trans	-74.2	-31.3	171.5	-59.6	-65.1	-171.9	176.7	0	112	T370 N371 F547 E556	T370-K373 WeakPolarHBondContact O-CB 3.44Å; T370-K373 VanDerWaalsContact O-CG 3.3Å; T370-K373 WeakPolarHBondContact O-CG 3.27Å; T370-K373 PolarHBondContact O-N 3.48Å; T370-K373 VanDerWaalsContact O-N 3.13Å; N371-K373 PolarHBondContact O-N 2.92Å; K373-F547 HydrophobicContact CB-CD1 3.84Å; K373-F547 HydrophobicContact CB-CE1 4.22Å; K373-F547 HydrophobicContact CB-CG 4.05Å; K373-F547 HydrophobicContact CD-CD1 4.44Å; K373-F547 HydrophobicContact CD-CE1 4Å; K373-F547 HydrophobicContact CD-CZ 4.44Å; K373-F547 HydrophobicContact CG-CD1 4.2Å; K373-F547 HydrophobicContact CG-CE1 4.27Å; K373-E556 IonicContact NZ-OE2 2.6Å; K373-E556 PolarHBondContact NZ-OE2 3.43Å
374	I	82.1	Confident	85.6	Confident	3 Å²	3	62.5 Å²	62.5	2%	0.015	35%	0.346	C	S	.	.			trans	-120	111	169.5	-58.3	170.2	0	0	0	107.1	V366 A367 T370 K545 F547	V366-I374 HydrophobicContact CG1-CB 3.9Å; V366-I374 HydrophobicContact CG1-CG2 3.57Å; A367-I374 VanDerWaalsContact CA-O 3.26Å; A367-I374 WeakPolarHBondContact CA-O 3.41Å; A367-I374 PolarHBondContact N-O 3.31Å; T370-I374 HydrophobicContact CG2-CB 4.13Å; T370-I374 HydrophobicContact CG2-CD1 4.07Å; T370-I374 HydrophobicContact CG2-CG1 4.32Å; T370-I374 PolarHBondContact OG1-N 2.85Å; T370-I374 PolarHBondContact OG1-O 3.44Å; T370-I374 VanDerWaalsContact OG1-O 3.1Å; I374-K545 HydrophobicContact CD1-CB 4.11Å; I374-K545 HydrophobicContact CD1-CG 3.95Å; I374-K545 WeakPolarHBondContact CD1-O 3.44Å; I374-K545 HydrophobicContact CG1-CG 4.44Å; I374-K545 HydrophobicContact CG2-CB 4.48Å; I374-K545 HydrophobicContact CG2-CD 3.75Å; I374-K545 HydrophobicContact CG2-CG 4.14Å; I374-F547 HydrophobicContact CD1-CB 4.04Å; I374-F547 HydrophobicContact CG1-CB 3.95Å
375	T	86.3	Confident	85.3	Confident	91 Å²	91	59.9 Å²	59.9	56%	0.558	32%	0.323	S	S	*	.			trans	-100.6	-15.5	-178.6	52.1	0	0	0	0	113.8	N372	N372-T375 HydrophobicContact CB-CG2 4.37Å
376	N	85.6	Confident	85.2	Confident	60 Å²	60	59.7 Å²	59.7	32%	0.321	33%	0.325	S	S	.	.			trans	-148.7	131.8	-178.4	-173	13.9	0	0	0	111.1	N363 I378 N379 K545	N363-N376 PolarHBondContact ND2-OD1 2.83Å; N363-N376 WeakPolarHBondContact OD1-CA 3.47Å; N363-N376 PolarHBondContact OD1-OD1 2.91Å; N376-I378 PolarHBondContact OD1-N 3.05Å; N376-I378 PolarHBondContact OD1-O 3.28Å; N376-I378 VanDerWaalsContact OD1-O 3.12Å; N376-N379 PolarHBondContact ND2-OD1 2.97Å; N376-K545 PolarHBondContact O-NZ 2.97Å
377	I	85.8	Confident	85.3	Confident	1 Å²	1	59.7 Å²	59.7	1%	0.005	33%	0.325	C	S	.	.	S	Bend	trans	-137	-22.5	-178.3	-171.8	160.7	0	0	0	113	I362 N363 V366 L390 A392 K543 K545	I362-I377 HydrophobicContact CG2-CG2 4.16Å; N363-I377 VanDerWaalsContact OD1-CG2 3.31Å; N363-I377 WeakPolarHBondContact OD1-CG2 3.26Å; N363-I377 PolarHBondContact OD1-N 2.81Å; V366-I377 HydrophobicContact CB-CG2 4.19Å; V366-I377 HydrophobicContact CG1-CG2 4.3Å; V366-I377 HydrophobicContact CG2-CG2 3.73Å; I377-L390 HydrophobicContact CD1-CD1 3.67Å; I377-L390 HydrophobicContact CG1-CD1 4.06Å; I377-L390 HydrophobicContact CG2-CD1 4.09Å; I377-A392 HydrophobicContact CD1-CB 4.21Å; I377-K543 HydrophobicContact CD1-CB 4.27Å; I377-K543 HydrophobicContact CG1-CB 4.15Å; I377-K545 HydrophobicContact CD1-CB 3.65Å; I377-K545 HydrophobicContact CG1-CB 4.16Å; I377-K545 HydrophobicContact CG1-CD 4.49Å
378	I	86	Confident	85.4	Confident	4 Å²	4	59.2 Å²	59.2	2%	0.021	32%	0.32	C	S	.	.			trans	-129.8	124.2	176.5	-66.5	-172.5	0	0	0	108.9	M359 I362 N363 N376 D380 L381 I388 L390 K543	M359-I378 HydrophobicContact CG-CG2 4.14Å; I362-I378 HydrophobicContact CD1-CD1 4.19Å; I362-I378 HydrophobicContact CG2-CD1 3.98Å; I362-I378 HydrophobicContact CG2-CG1 4.32Å; N363-I378 PolarHBondContact ND2-O 3.29Å; N363-I378 PolarHBondContact OD1-N 3.21Å; N376-I378 PolarHBondContact OD1-N 3.05Å; N376-I378 PolarHBondContact OD1-O 3.28Å; N376-I378 VanDerWaalsContact OD1-O 3.12Å; I378-D380 WeakPolarHBondContact CG2-O 3.22Å; I378-L381 HydrophobicContact CG2-CB 4.47Å; I378-I388 HydrophobicContact CD1-CG2 4.41Å; I378-L390 HydrophobicContact CD1-CD1 4.43Å; I378-K543 HydrophobicContact CD1-CG 4.33Å; I378-K543 HydrophobicContact CG1-CG 4.12Å
379	N	85.3	Confident	85.6	Confident	126 Å²	126	53.6 Å²	53.6	67%	0.674	29%	0.29	S	S	*	.	S	Bend	trans	-104.3	-16.6	-179.8	-63.5	-55.1	0	0	0	113.8	N376	N376-N379 PolarHBondContact ND2-OD1 2.97Å
380	D	85.5	Confident	85.9	Confident	128 Å²	128	49.1 Å²	49.1	68%	0.684	27%	0.271	S	S	*	.			trans	-151.9	148.3	179.5	-178.5	30.4	0	0	0	108.9	M359 I378	M359-D380 WeakPolarHBondContact SD-CA 3.01Å; M359-D380 PolarHBondContact SD-N 2.71Å; I378-D380 WeakPolarHBondContact CG2-O 3.22Å
381	L	86.5	Confident	86.3	Confident	9 Å²	9	49.2 Å²	49.2	5%	0.047	27%	0.271	C	S	.	.			trans	-148.1	127.9	176.5	-171.6	66.9	0	0	0	111.1	L351 S355 N358 M359 I362 I378 T385 I388	L351-L381 HydrophobicContact CD2-CD2 4.18Å; S355-L381 WeakPolarHBondContact CB-O 3.27Å; S355-L381 PolarHBondContact OG-O 3.23Å; N358-L381 HydrophobicContact CB-CD2 3.62Å; M359-L381 HydrophobicContact CG-CB 4.12Å; I362-L381 HydrophobicContact CD1-CD2 4.33Å; I378-L381 HydrophobicContact CG2-CB 4.47Å; L381-T385 HydrophobicContact CD1-CG2 4.2Å; L381-T385 WeakPolarHBondContact CD1-OG1 3.13Å; L381-I388 HydrophobicContact CD1-CD1 3.51Å; L381-I388 HydrophobicContact CD1-CG1 4.34Å; L381-I388 HydrophobicContact CD2-CD1 4.03Å; L381-I388 HydrophobicContact CG-CD1 4.44Å
382	S	84.3	Confident	86.3	Confident	60 Å²	60	45.7 Å²	45.7	42%	0.42	25%	0.252	S	S	.	.			trans	-66.1	133.9	176.4	177.1	0	0	0	0	111.4	N384 T385	S382-N384 PolarHBondContact O-N 2.88Å; S382-N384 VanDerWaalsContact O-N 3.16Å; S382-N384 PolarHBondContact OG-N 3.42Å; S382-T385 WeakPolarHBondContact O-CB 3.27Å; S382-T385 PolarHBondContact O-N 3.47Å; S382-T385 VanDerWaalsContact O-N 3.16Å; S382-T385 PolarHBondContact O-OG1 3.41Å
383	P	79.2	Confident	86.1	Confident	98 Å²	98	40.2 Å²	40.2	64%	0.636	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	-24.6	170.6	-24.6	34.8	0	0	0	113.8	T385	P383-T385 VanDerWaalsContact C-N 3.3Å; P383-T385 PolarHBondContact O-N 2.62Å
384	N	82.2	Confident	86	Confident	125 Å²	125	36.6 Å²	36.6	67%	0.668	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.2	5.1	-178.4	-63.6	-13.5	0	0	0	113.7	S382 Q386	S382-N384 PolarHBondContact O-N 2.88Å; S382-N384 VanDerWaalsContact O-N 3.16Å; S382-N384 PolarHBondContact OG-N 3.42Å; N384-Q386 PolarHBondContact O-N 3.31Å; N384-Q386 PolarHBondContact O-NE2 3.43Å
385	T	87.9	Confident	85.8	Confident	5 Å²	5	36.9 Å²	36.9	3%	0.031	21%	0.209	C	C	.	.			trans	-56.6	128	-177.2	-59.7	0	0	0	0	111.3	N327 L351 L381 S382 P383 I388 D540	N327-T385 WeakPolarHBondContact CB-O 3.47Å; N327-T385 PolarHBondContact ND2-O 3.17Å; L351-T385 HydrophobicContact CD1-CG2 3.85Å; L381-T385 HydrophobicContact CD1-CG2 4.2Å; L381-T385 WeakPolarHBondContact CD1-OG1 3.13Å; S382-T385 WeakPolarHBondContact O-CB 3.27Å; S382-T385 PolarHBondContact O-N 3.47Å; S382-T385 VanDerWaalsContact O-N 3.16Å; S382-T385 PolarHBondContact O-OG1 3.41Å; P383-T385 VanDerWaalsContact C-N 3.3Å; P383-T385 PolarHBondContact O-N 2.62Å; T385-I388 HydrophobicContact CG2-CD1 4Å; T385-I388 HydrophobicContact CG2-CG1 3.52Å; T385-D540 HydrophobicContact CG2-CB 4.05Å
386	Q	87.3	Confident	85	Confident	46 Å²	46	35.9 Å²	35.9	22%	0.215	21%	0.206	C	C	.	.			trans	-93.5	-48.6	175.6	-60.1	-53.6	-50.2	0	0	111.9	Y326 N327 M330 N384 D540	Y326-Q386 CarbonylContact C-O 3.53Å; Y326-Q386 VanDerWaalsContact CA-O 3.31Å; Y326-Q386 WeakPolarHBondContact CA-O 3.26Å; N327-Q386 PolarHBondContact N-O 3.31Å; M330-Q386 HydrophobicContact SD-CB 4.48Å; N384-Q386 PolarHBondContact O-N 3.31Å; N384-Q386 PolarHBondContact O-NE2 3.43Å; Q386-D540 WeakPolarHBondContact CA-OD2 3.49Å; Q386-D540 PolarHBondContact N-OD2 2.82Å
387	L	91.1	Very high	84.6	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	135.2	-175	-160.9	79.7	0	0	0	112.3	L278 I324 Y325 L528 L531 L537 V538 L539 D540	L278-L387 HydrophobicContact CD1-CD2 4.08Å; I324-L387 HydrophobicContact CG2-CD1 3.64Å; I324-L387 HydrophobicContact CG2-CG 4.32Å; Y325-L387 WeakPolarHBondContact O-CA 3.16Å; L387-L528 HydrophobicContact CD2-CD1 4.32Å; L387-L531 HydrophobicContact CD1-CD1 4.26Å; L387-L537 HydrophobicContact CB-CD2 4.42Å; L387-L537 HydrophobicContact CD2-CD2 4.21Å; L387-V538 WeakPolarHBondContact CB-O 3.39Å; L387-L539 HydrophobicContact CD2-CD1 4.23Å; L387-L539 HydrophobicContact CG-CD1 4.49Å; L387-D540 PolarHBondContact N-OD2 2.76Å; L387-D540 PolarHBondContact O-N 3.25Å; L387-D540 VanDerWaalsContact O-N 3.07Å
388	I	92.4	Very high	84.5	Confident	1 Å²	1	36.7 Å²	36.7	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	130.2	171.2	-41.6	170.3	0	0	0	109.4	Y325 L351 I362 I378 L381 T385 D541	Y325-I388 PolarHBondContact N-O 2.97Å; Y325-I388 PolarHBondContact O-N 2.94Å; L351-I388 HydrophobicContact CD1-CD1 4.31Å; L351-I388 HydrophobicContact CD2-CD1 4.15Å; I362-I388 HydrophobicContact CD1-CD1 4.03Å; I378-I388 HydrophobicContact CD1-CG2 4.41Å; L381-I388 HydrophobicContact CD1-CD1 3.51Å; L381-I388 HydrophobicContact CD1-CG1 4.34Å; L381-I388 HydrophobicContact CD2-CD1 4.03Å; L381-I388 HydrophobicContact CG-CD1 4.44Å; T385-I388 HydrophobicContact CG2-CD1 4Å; T385-I388 HydrophobicContact CG2-CG1 3.52Å; I388-D541 WeakPolarHBondContact CA-O 3.39Å
389	L	91.9	Very high	84.6	Confident	5 Å²	5	37.1 Å²	37.1	3%	0.026	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	113.9	164.5	-64.8	-173.2	0	0	0	109.8	I274 L275 L278 I324 L539 D541 A542 K543	I274-L389 HydrophobicContact CD1-CD2 3.99Å; I274-L389 HydrophobicContact CG1-CB 3.9Å; I274-L389 HydrophobicContact CG1-CD1 4.35Å; I274-L389 HydrophobicContact CG1-CD2 3.97Å; I274-L389 HydrophobicContact CG1-CG 4.27Å; L275-L389 HydrophobicContact CD2-CD1 4.07Å; L278-L389 HydrophobicContact CB-CD2 4.41Å; L278-L389 HydrophobicContact CD2-CD1 3.99Å; I324-L389 HydrophobicContact CD1-CD2 4.25Å; I324-L389 HydrophobicContact CG1-CD2 3.84Å; L389-L539 HydrophobicContact CB-CD1 4.31Å; L389-L539 HydrophobicContact CD1-CD1 4.37Å; L389-L539 HydrophobicContact CD1-CD2 4.1Å; L389-L539 HydrophobicContact CG-CD1 3.74Å; L389-L539 HydrophobicContact CG-CD2 4.36Å; L389-D541 PolarHBondContact N-O 3.04Å; L389-D541 VanDerWaalsContact N-O 3.16Å; L389-A542 HydrophobicContact CB-CB 4.28Å; L389-A542 CarbonylContact O-C 3.58Å; L389-A542 WeakPolarHBondContact O-CA 3.4Å; L389-K543 PolarHBondContact O-N 3.32Å
390	L	90.4	Very high	84.7	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	131.8	179.4	-167.2	65.7	0	0	0	111.7	S322 Q323 Y325 I362 W365 V366 I377 I378 K543	S322-L390 CarbonylContact C-O 3.54Å; S322-L390 WeakPolarHBondContact CA-O 3.35Å; Q323-L390 PolarHBondContact N-O 3.44Å; Q323-L390 PolarHBondContact O-N 2.84Å; Y325-L390 HydrophobicContact CD2-CB 4.23Å; Y325-L390 HydrophobicContact CD2-CD2 4.4Å; Y325-L390 HydrophobicContact CE2-CB 4.11Å; Y325-L390 HydrophobicContact CE2-CD2 3.63Å; I362-L390 HydrophobicContact CG2-CD1 4.48Å; I362-L390 HydrophobicContact CG2-CD2 3.52Å; W365-L390 HydrophobicContact CE3-CD2 3.92Å; W365-L390 HydrophobicContact CZ3-CD2 3.81Å; W365-L390 HydrophobicContact CZ3-CG 4.34Å; V366-L390 HydrophobicContact CG2-CD2 3.71Å; V366-L390 HydrophobicContact CG2-CG 4.36Å; I377-L390 HydrophobicContact CD1-CD1 3.67Å; I377-L390 HydrophobicContact CG1-CD1 4.06Å; I377-L390 HydrophobicContact CG2-CD1 4.09Å; I378-L390 HydrophobicContact CD1-CD1 4.43Å; L390-K543 HydrophobicContact CD1-CB 3.6Å
391	N	88.6	Confident	84.7	Confident	2 Å²	2	35 Å²	35	1%	0.011	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	122	173.6	-167.6	-96.6	0	0	0	111.7	S270 I274 G321 S322 K543 H544 K545	S270-N391 WeakPolarHBondContact CB-OD1 3.33Å; S270-N391 PolarHBondContact O-ND2 3.01Å; S270-N391 PolarHBondContact OG-ND2 2.83Å; S270-N391 PolarHBondContact OG-OD1 3.37Å; I274-N391 HydrophobicContact CG2-CB 4.29Å; G321-N391 WeakPolarHBondContact O-CA 3.24Å; S322-N391 PolarHBondContact OG-ND2 2.85Å; N391-K543 PolarHBondContact N-O 3.35Å; N391-H544 WeakPolarHBondContact CB-CE1 3.4Å; N391-H544 VanDerWaalsContact O-CA 3.3Å; N391-H544 WeakPolarHBondContact O-CA 3.21Å; N391-H544 PolarHBondContact O-CE1 3.27Å; N391-H544 PolarHBondContact OD1-CE1 3.17Å; N391-H544 PolarHBondContact OD1-ND1 2.92Å; N391-H544 PolarHBondContact OD1-NE2 2.68Å; N391-K545 PolarHBondContact O-N 2.94Å
392	A	83.1	Confident	84.4	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	131.7	175.1	0	0	0	0	0	110.1	G321 V366 T370 I377	G321-A392 PolarHBondContact N-O 3.27Å; G321-A392 PolarHBondContact O-N 2.81Å; V366-A392 HydrophobicContact CB-CB 4.17Å; V366-A392 HydrophobicContact CG1-CB 3.51Å; V366-A392 HydrophobicContact CG2-CB 3.71Å; T370-A392 HydrophobicContact CG2-CB 4.03Å; I377-A392 HydrophobicContact CD1-CB 4.21Å
393	V	84.2	Confident	84.4	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	133.8	-169.2	62.5	0	0	0	0	112.1	L318 M320 H544 K545 A546 F547 F592	L318-V393 HydrophobicContact CD1-CG2 3.68Å; L318-V393 HydrophobicContact CG-CG2 4.37Å; M320-V393 HydrophobicContact CB-CB 4.28Å; M320-V393 HydrophobicContact CB-CG2 3.75Å; V393-H544 WeakPolarHBondContact CG1-NE2 3.48Å; V393-K545 PolarHBondContact N-O 2.83Å; V393-A546 HydrophobicContact CG1-CB 4.35Å; V393-F547 PolarHBondContact O-N 3.03Å; V393-F592 HydrophobicContact CB-CZ 4.3Å; V393-F592 HydrophobicContact CG1-CE1 4.08Å; V393-F592 HydrophobicContact CG1-CZ 3.85Å; V393-F592 HydrophobicContact CG2-CE2 4.02Å; V393-F592 HydrophobicContact CG2-CZ 3.73Å
394	S	80.6	Confident	84.4	Confident	5 Å²	5	35 Å²	35	4%	0.035	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	122.9	178	61.9	0	0	0	0	109	K319 T370	K319-S394 PolarHBondContact O-N 3.06Å; K319-S394 VanDerWaalsContact O-N 3.14Å; T370-S394 WeakPolarHBondContact CA-OG 3.17Å
395	F	77.3	Confident	83.8	Confident	8 Å²	8	32.4 Å²	32.4	4%	0.035	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	144.3	170.7	-179.4	-104.5	0	0	0	111.1	S317 L318 L449 N453 V555 L582 L591 F592	S317-F395 WeakPolarHBondContact O-CD2 3.43Å; S317-F395 WeakPolarHBondContact O-CE2 3.43Å; L318-F395 HydrophobicContact CD1-CD2 4.41Å; F395-L449 HydrophobicContact CE1-CD1 3.85Å; F395-L449 HydrophobicContact CZ-CD1 3.97Å; F395-N453 HydrophobicContact CZ-CB 4.22Å; F395-V555 HydrophobicContact CD1-CG2 4.14Å; F395-V555 HydrophobicContact CE1-CG2 4.31Å; F395-L582 HydrophobicContact CB-CD2 3.95Å; F395-L582 HydrophobicContact CD1-CD1 4.43Å; F395-L582 HydrophobicContact CD1-CD2 3.38Å; F395-L582 HydrophobicContact CD2-CD2 3.61Å; F395-L582 HydrophobicContact CE1-CD1 3.94Å; F395-L582 HydrophobicContact CE1-CD2 3.66Å; F395-L582 HydrophobicContact CE1-CG 4.45Å; F395-L582 HydrophobicContact CE2-CD2 3.87Å; F395-L582 HydrophobicContact CG-CD2 3.34Å; F395-L582 HydrophobicContact CZ-CD1 4.07Å; F395-L582 HydrophobicContact CZ-CD2 3.88Å; F395-L591 HydrophobicContact CD2-CD1 4.4Å; F395-L591 HydrophobicContact CE2-CD1 4.21Å; F395-F592 HydrophobicContact CB-CD2 4.24Å; F395-F592 HydrophobicContact CB-CE2 3.62Å; F395-F592 HydrophobicContact CB-CZ 4.05Å
396	S	70.1	Confident	83.4	Confident	70 Å²	70	39.1 Å²	39.1	49%	0.49	19%	0.188	S	C	.	.			trans	-144.9	89.8	172.2	-155.8	0	0	0	0	110.3	V555	S396-V555 PolarHBondContact OG-O 3.09Å
397	G	76.4	Confident	82.9	Confident	2 Å²	2	43 Å²	43	2%	0.021	22%	0.217	C	C	.	.			trans	-121.4	136.8	174.5	0	0	0	0	0	111.6	V555	G397-V555 WeakPolarHBondContact O-CA 3.49Å; G397-V555 WeakPolarHBondContact O-CB 3.38Å; G397-V555 WeakPolarHBondContact O-CG2 3.39Å; G397-V555 PolarHBondContact O-N 2.91Å
398	Q	83.8	Confident	82.7	Confident	76 Å²	76	47.1 Å²	47.1	36%	0.355	24%	0.235	S	C	.	.			trans	-83.7	153.4	179.6	-64.8	178.5	4.4	0	0	111.1	K400 L449 T450 E556 A557	Q398-K400 PolarHBondContact O-N 3.01Å; Q398-L449 CarbonylContact O-C 3.36Å; Q398-L449 WeakPolarHBondContact O-CA 3.46Å; Q398-L449 WeakPolarHBondContact O-CB 3.32Å; Q398-L449 WeakPolarHBondContact O-CD2 3.39Å; Q398-T450 HydrophobicContact CB-CG2 3.81Å; Q398-T450 PolarHBondContact N-OG1 2.98Å; Q398-T450 PolarHBondContact O-N 3.33Å; Q398-E556 WeakPolarHBondContact CG-O 3.36Å; Q398-E556 PolarHBondContact NE2-O 3.38Å; Q398-A557 PolarHBondContact NE2-O 2.94Å; Q398-A557 VanDerWaalsContact NE2-O 3.13Å; Q398-A557 PolarHBondContact OE1-O 2.93Å
399	W	88.6	Confident	82.7	Confident	14 Å²	14	54.3 Å²	54.3	5%	0.053	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-67	134.2	171.2	-56.2	119.9	0	0	0	110.6	F401 F403 F447 L449 L455 L499 L550 T551 G554	W399-F401 WeakPolarHBondContact CB-O 3.39Å; W399-F401 PolarHBondContact O-N 2.87Å; W399-F403 AromaticContact CD1-CD2 3.4Å; W399-F403 AromaticContact CD1-CE2 3.74Å; W399-F403 HydrophobicContact CD2-CD2 4.16Å; W399-F403 AromaticContact CD2-CE2 3.67Å; W399-F403 HydrophobicContact CD2-CE2 3.67Å; W399-F403 AromaticContact CE2-CD2 3.92Å; W399-F403 AromaticContact CE2-CE2 3.55Å; W399-F403 HydrophobicContact CE3-CE2 4.26Å; W399-F403 AromaticContact CG-CD2 3.9Å; W399-F403 HydrophobicContact CG-CD2 3.9Å; W399-F403 AromaticContact CG-CE2 3.85Å; W399-F403 HydrophobicContact CG-CE2 3.85Å; W399-F403 HydrophobicContact CZ2-CE2 4.07Å; W399-F403 AromaticContact NE1-CD2 3.46Å; W399-F403 AromaticContact NE1-CE2 3.61Å; W399-F447 HydrophobicContact CE3-CB 4Å; W399-F447 HydrophobicContact CZ3-CB 3.54Å; W399-F447 HydrophobicContact CZ3-CG 4.25Å; W399-L449 HydrophobicContact CD2-CD2 4.05Å; W399-L449 HydrophobicContact CE3-CD2 3.4Å; W399-L449 VanDerWaalsContact CE3-CD2 3.4Å; W399-L449 HydrophobicContact CE3-CG 4.43Å; W399-L449 HydrophobicContact CZ3-CD2 3.79Å; W399-L455 HydrophobicContact CH2-CD2 3.61Å; W399-L455 HydrophobicContact CZ3-CB 4.27Å; W399-L455 HydrophobicContact CZ3-CD2 3.96Å; W399-L499 HydrophobicContact CH2-CD1 4.3Å; W399-L550 HydrophobicContact CH2-CD2 4.19Å; W399-L550 HydrophobicContact CZ2-CD2 4.36Å; W399-T551 PolarHBondContact NE1-O 2.94Å; W399-G554 VanDerWaalsContact NE1-CA 3.34Å
400	K	87.3	Confident	82.5	Confident	125 Å²	125	54.6 Å²	54.6	54%	0.543	27%	0.271	S	S	.	.	S	Bend	trans	-66.6	-28.9	176.2	-166	166.6	-171.9	164	0	112.2	Q398 A448	Q398-K400 PolarHBondContact O-N 3.01Å; K400-A448 HydrophobicContact CB-CB 4Å; K400-A448 VanDerWaalsContact CB-O 3.28Å; K400-A448 WeakPolarHBondContact CB-O 3.47Å; K400-A448 HydrophobicContact CD-CB 3.93Å; K400-A448 PolarHBondContact N-O 2.94Å
401	F	85.9	Confident	82.5	Confident	84 Å²	84	58.2 Å²	58.2	37%	0.368	29%	0.29	S	S	.	.	S	Bend	trans	-118.8	143.7	169.2	-57.8	-78.8	0	0	0	109.1	W399 Y430 M431	W399-F401 WeakPolarHBondContact CB-O 3.39Å; W399-F401 PolarHBondContact O-N 2.87Å; F401-Y430 HydrophobicContact CB-CD2 4.45Å; F401-Y430 HydrophobicContact CB-CE1 4.27Å; F401-Y430 HydrophobicContact CB-CE2 3.89Å; F401-Y430 WeakPolarHBondContact O-CE2 3.2Å; F401-Y430 PolarHBondContact O-OH 3.42Å; F401-M431 HydrophobicContact CD1-CB 3.86Å; F401-M431 HydrophobicContact CD1-CG 4.38Å; F401-M431 HydrophobicContact CD2-CB 3.63Å; F401-M431 WeakPolarHBondContact CD2-O 3.45Å; F401-M431 HydrophobicContact CE1-CB 3.81Å; F401-M431 HydrophobicContact CE1-CG 4.17Å; F401-M431 HydrophobicContact CE2-CB 3.57Å; F401-M431 HydrophobicContact CG-CB 3.77Å; F401-M431 HydrophobicContact CZ-CB 3.66Å; F401-M431 HydrophobicContact CZ-CG 4.32Å
402	K	80.1	Confident	82.7	Confident	110 Å²	110	58.1 Å²	58.1	48%	0.478	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-90.7	146	-169.4	-57.1	-176.5	-169.7	-178.5	0	112	N427 G558 A559	K402-N427 PolarHBondContact O-ND2 2.8Å; K402-G558 WeakPolarHBondContact CE-O 3.45Å; K402-G558 PolarHBondContact NZ-O 3.41Å; K402-A559 WeakPolarHBondContact CD-O 3.28Å; K402-A559 WeakPolarHBondContact CE-O 3.4Å; K402-A559 PolarHBondContact NZ-O 2.6Å
403	F	84.8	Confident	83	Confident	7 Å²	7	59.8 Å²	59.8	3%	0.031	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-87.6	168.8	168	-71.9	-86	0	0	0	111.4	W399 I425 N427 Y430 V497 L499 E552	W399-F403 AromaticContact CD1-CD2 3.4Å; W399-F403 AromaticContact CD1-CE2 3.74Å; W399-F403 HydrophobicContact CD2-CD2 4.16Å; W399-F403 AromaticContact CD2-CE2 3.67Å; W399-F403 HydrophobicContact CD2-CE2 3.67Å; W399-F403 AromaticContact CE2-CD2 3.92Å; W399-F403 AromaticContact CE2-CE2 3.55Å; W399-F403 HydrophobicContact CE3-CE2 4.26Å; W399-F403 AromaticContact CG-CD2 3.9Å; W399-F403 HydrophobicContact CG-CD2 3.9Å; W399-F403 AromaticContact CG-CE2 3.85Å; W399-F403 HydrophobicContact CG-CE2 3.85Å; W399-F403 HydrophobicContact CZ2-CE2 4.07Å; W399-F403 AromaticContact NE1-CD2 3.46Å; W399-F403 AromaticContact NE1-CE2 3.61Å; F403-I425 HydrophobicContact CB-CG2 3.72Å; F403-I425 HydrophobicContact CD1-CG2 3.44Å; F403-I425 VanDerWaalsContact CD1-CG2 3.44Å; F403-I425 HydrophobicContact CD2-CG2 3.47Å; F403-I425 VanDerWaalsContact CD2-CG2 3.47Å; F403-I425 HydrophobicContact CE1-CG2 3.8Å; F403-I425 HydrophobicContact CE2-CG2 3.82Å; F403-I425 HydrophobicContact CG-CG2 3.24Å; F403-I425 HydrophobicContact CZ-CG2 3.97Å; F403-N427 HydrophobicContact CD1-CB 3.65Å; F403-N427 HydrophobicContact CE1-CB 4.25Å; F403-N427 HydrophobicContact CG-CB 4.47Å; F403-Y430 AromaticContact CD1-CD2 3.79Å; F403-Y430 HydrophobicContact CD1-CD2 3.79Å; F403-Y430 HydrophobicContact CD1-CE2 4.03Å; F403-Y430 HydrophobicContact CD2-CD2 4.19Å; F403-Y430 AromaticContact CD2-CE2 3.56Å; F403-Y430 HydrophobicContact CD2-CE2 3.56Å; F403-Y430 AromaticContact CE1-CD2 3.5Å; F403-Y430 HydrophobicContact CE1-CD2 3.5Å; F403-Y430 VanDerWaalsContact CE1-CD2 3.5Å; F403-Y430 AromaticContact CE1-CE2 3.73Å; F403-Y430 HydrophobicContact CE1-CE2 3.73Å; F403-Y430 HydrophobicContact CE1-CG 4.06Å; F403-Y430 AromaticContact CE2-CD2 3.92Å; F403-Y430 HydrophobicContact CE2-CD2 3.92Å; F403-Y430 AromaticContact CE2-CE2 3.22Å; F403-Y430 HydrophobicContact CE2-CE2 3.22Å; F403-Y430 AromaticContact CE2-CZ 3.61Å; F403-Y430 HydrophobicContact CG-CD2 4.15Å; F403-Y430 AromaticContact CG-CE2 3.97Å; F403-Y430 HydrophobicContact CG-CE2 3.97Å; F403-Y430 HydrophobicContact CZ-CD1 4.44Å; F403-Y430 AromaticContact CZ-CD2 3.58Å; F403-Y430 HydrophobicContact CZ-CD2 3.58Å; F403-Y430 HydrophobicContact CZ-CE1 4.26Å; F403-Y430 AromaticContact CZ-CE2 3.32Å; F403-Y430 HydrophobicContact CZ-CE2 3.32Å; F403-Y430 HydrophobicContact CZ-CG 4.14Å; F403-Y430 AromaticContact CZ-CZ 3.69Å; F403-V497 HydrophobicContact CE1-CB 3.97Å; F403-V497 HydrophobicContact CE1-CG1 3.64Å; F403-V497 HydrophobicContact CZ-CG1 3.95Å; F403-L499 HydrophobicContact CZ-CD1 4.25Å; F403-E552 HydrophobicContact CB-CB 4.36Å
404	N	77.6	Confident	83.3	Confident	49 Å²	49	61.4 Å²	61.4	26%	0.262	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	117	177.4	-170	-2.1	0	0	0	109.8	K406 Y426	N404-K406 PolarHBondContact O-N 2.86Å; N404-K406 WeakPolarHBondContact OD1-CG 3.5Å; N404-Y426 VanDerWaalsContact CB-O 3.23Å; N404-Y426 WeakPolarHBondContact CB-O 3.33Å; N404-Y426 PolarHBondContact N-O 2.9Å
405	D	70.1	Confident	83.6	Confident	72 Å²	72	63.7 Å²	63.7	39%	0.385	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	21	-179.2	-151.2	13	0	0	0	113	R553 V560	D405-R553 IonicContact OD2-NE 3.95Å; D405-R553 IonicContact OD2-NH2 2.69Å; D405-V560 HydrophobicContact CB-CG2 4.29Å
406	K	79.1	Confident	84	Confident	145 Å²	145	67.1 Å²	67.1	63%	0.63	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.8	118.1	175.9	-76.7	-174.7	-178.9	-175	0	109	N404 K408	N404-K406 PolarHBondContact O-N 2.86Å; N404-K406 WeakPolarHBondContact OD1-CG 3.5Å; K406-K408 PolarHBondContact O-N 3.05Å
407	P	78.6	Confident	84.7	Confident	129 Å²	129	65.9 Å²	65.9	84%	0.838	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.7	112.6	-175.1	23.8	-33.8	0	0	0	110.9
408	K	87	Confident	85.3	Confident	85 Å²	85	70.2 Å²	70.2	37%	0.37	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	152.4	170.2	-84.8	-172.4	171	-171.3	0	109.7	K406 P423 L424 Y426	K406-K408 PolarHBondContact O-N 3.05Å; K408-P423 WeakPolarHBondContact O-CA 3.49Å; K408-L424 HydrophobicContact CB-CB 3.93Å; K408-L424 HydrophobicContact CB-CD1 4.26Å; K408-L424 PolarHBondContact O-N 3.2Å; K408-Y426 HydrophobicContact CD-CD1 3.95Å; K408-Y426 HydrophobicContact CD-CD2 4.43Å; K408-Y426 HydrophobicContact CD-CG 3.83Å
409	K	90.6	Very high	85.6	Confident	152 Å²	152	72.4 Å²	72.4	66%	0.661	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.4	140.8	169.7	-65.3	-173.4	179.3	-174.5	0	109.6	R421 V422	K409-R421 HydrophobicContact CB-CG 4.14Å; K409-R421 HydrophobicContact CD-CG 4.37Å; K409-V422 CarbonylContact C-O 3.57Å; K409-V422 VanDerWaalsContact CA-O 3.24Å; K409-V422 WeakPolarHBondContact CA-O 3.45Å
410	G	88.9	Confident	85.8	Confident	12 Å²	12	74.2 Å²	74.2	12%	0.124	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	-178.6	178	0	0	0	0	0	111.2	R421 V422	G410-R421 CarbonylContact O-C 3.53Å; G410-R421 VanDerWaalsContact O-CA 3.27Å; G410-R421 WeakPolarHBondContact O-CA 3.48Å; G410-V422 PolarHBondContact N-O 3.33Å; G410-V422 PolarHBondContact O-N 3.45Å
411	L	90.6	Very high	86.1	Confident	76 Å²	76	76.4 Å²	76.4	40%	0.398	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	123.1	170.2	-62.6	177	0	0	0	108.1	M419 V420 R421	L411-M419 HydrophobicContact CB-CB 4.36Å; L411-M419 HydrophobicContact CD1-CB 4.43Å; L411-M419 HydrophobicContact CD1-SD 3.97Å; L411-M419 HydrophobicContact CD2-CB 4.43Å; L411-V420 CarbonylContact C-O 3.54Å; L411-V420 WeakPolarHBondContact CA-O 3.45Å; L411-R421 HydrophobicContact CD2-CB 4.14Å
412	F	91.9	Very high	86.5	Confident	0 Å²	0	72.8 Å²	72.8	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	128.8	167.2	-176.3	-79.7	0	0	0	108.3	M419 V420 V422 P500 L575 P577 F578 M596 L597 P599	F412-M419 WeakPolarHBondContact O-CA 3.46Å; F412-V420 PolarHBondContact N-O 3.19Å; F412-V420 PolarHBondContact O-N 2.9Å; F412-V422 HydrophobicContact CB-CG1 4.08Å; F412-V422 HydrophobicContact CB-CG2 4.01Å; F412-P500 HydrophobicContact CD2-CG 4.3Å; F412-P500 HydrophobicContact CE2-CG 4.42Å; F412-L575 WeakPolarHBondContact CA-O 3.46Å; F412-P577 HydrophobicContact CE1-CG 4.25Å; F412-P577 HydrophobicContact CZ-CG 4.29Å; F412-F578 HydrophobicContact CE2-CD1 4.47Å; F412-F578 HydrophobicContact CE2-CE1 4.3Å; F412-M596 HydrophobicContact CE2-CG 4.41Å; F412-M596 HydrophobicContact CZ-CG 4.36Å; F412-L597 WeakPolarHBondContact CE1-O 3.38Å; F412-P599 HydrophobicContact CB-CG 3.9Å; F412-P599 HydrophobicContact CD1-CG 3.72Å; F412-P599 HydrophobicContact CD2-CB 4.3Å; F412-P599 HydrophobicContact CD2-CG 4.13Å; F412-P599 HydrophobicContact CE1-CG 4.23Å; F412-P599 HydrophobicContact CG-CB 4.33Å; F412-P599 HydrophobicContact CG-CG 3.66Å
413	V	90.5	Very high	87.1	Confident	35 Å²	35	70 Å²	70	21%	0.212	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	111.1	-176.3	-172.9	0	0	0	0	109.4	M419 L575 P577	V413-M419 HydrophobicContact CG2-CE 4.37Å; V413-M419 HydrophobicContact CG2-CG 4.27Å; V413-L575 PolarHBondContact N-O 2.91Å; V413-P577 WeakPolarHBondContact O-CD 3.41Å
414	K	90.4	Very high	87.4	Confident	34 Å²	34	70.4 Å²	70.4	15%	0.148	37%	0.371	C	S	.	.			trans	-69.6	164.9	173.9	-66.7	-171.9	175.7	-173.1	0	111.4	S416 G417 D418 V420 E598	K414-S416 WeakPolarHBondContact CB-OG 3.38Å; K414-S416 PolarHBondContact O-N 2.84Å; K414-G417 PolarHBondContact O-N 3.45Å; K414-D418 HydrophobicContact CB-CB 4.38Å; K414-D418 HydrophobicContact CD-CB 4.26Å; K414-D418 PolarHBondContact N-O 3.07Å; K414-V420 HydrophobicContact CD-CG2 4.41Å; K414-E598 HydrophobicContact CD-CG 4.42Å; K414-E598 WeakPolarHBondContact CD-OE1 3.43Å; K414-E598 VanDerWaalsContact CE-CD 3.43Å; K414-E598 VanDerWaalsContact CE-OE1 3.29Å; K414-E598 WeakPolarHBondContact CE-OE1 3.45Å; K414-E598 IonicContact NZ-OE1 2.74Å; K414-E598 PolarHBondContact NZ-OE1 2.65Å; K414-E598 IonicContact NZ-OE2 3.14Å; K414-E598 PolarHBondContact NZ-OE2 2.8Å
415	F	85.8	Confident	88.1	Confident	52 Å²	52	68 Å²	68	23%	0.228	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-21.7	172.8	-70.4	-44.7	0	0	0	114.7	G417 N463 K464 L465 L468 P577 L597	F415-G417 PolarHBondContact O-N 2.9Å; F415-N463 WeakPolarHBondContact CD1-O 3.27Å; F415-K464 VanDerWaalsContact CE1-C 3.41Å; F415-K464 WeakPolarHBondContact CE1-O 2.99Å; F415-L465 HydrophobicContact CD2-CB 4.04Å; F415-L465 HydrophobicContact CD2-CD1 3.81Å; F415-L465 HydrophobicContact CE2-CB 4.38Å; F415-L465 HydrophobicContact CE2-CD1 3.8Å; F415-L465 HydrophobicContact CG-CB 4.23Å; F415-L468 HydrophobicContact CE2-CB 4.13Å; F415-L468 HydrophobicContact CE2-CD2 3.55Å; F415-L468 HydrophobicContact CE2-CG 4.48Å; F415-L468 HydrophobicContact CZ-CB 3.65Å; F415-L468 HydrophobicContact CZ-CD2 3.71Å; F415-L468 HydrophobicContact CZ-CG 4.27Å; F415-P577 HydrophobicContact CD1-CG 4.04Å; F415-P577 HydrophobicContact CD2-CB 4.2Å; F415-P577 HydrophobicContact CD2-CG 3.88Å; F415-P577 HydrophobicContact CE1-CB 3.94Å; F415-P577 HydrophobicContact CE1-CG 3.88Å; F415-P577 HydrophobicContact CE2-CB 3.53Å; F415-P577 HydrophobicContact CE2-CG 3.73Å; F415-P577 HydrophobicContact CG-CG 4.03Å; F415-P577 HydrophobicContact CZ-CB 3.37Å; F415-P577 HydrophobicContact CZ-CG 3.72Å; F415-L597 HydrophobicContact CD2-CD2 4.49Å; F415-L597 HydrophobicContact CE2-CD2 3.91Å
416	S	85.6	Confident	89	Confident	80 Å²	80	66.3 Å²	66.3	56%	0.559	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-14.5	169.5	53.2	0	0	0	0	113.3	K414 D418	K414-S416 WeakPolarHBondContact CB-OG 3.38Å; K414-S416 PolarHBondContact O-N 2.84Å; S416-D418 VanDerWaalsContact C-N 3.32Å; S416-D418 VanDerWaalsContact CB-OD2 3.28Å; S416-D418 WeakPolarHBondContact CB-OD2 3.48Å; S416-D418 WeakPolarHBondContact OG-CB 3.4Å; S416-D418 PolarHBondContact OG-N 3.38Å; S416-D418 PolarHBondContact OG-OD2 2.62Å
417	G	84.6	Confident	89.5	Confident	45 Å²	45	61 Å²	61	46%	0.464	33%	0.325	S	S	.	.	S	Bend	trans	90	-9.4	-167.6	0	0	0	0	0	113.6	K414 F415	K414-G417 PolarHBondContact O-N 3.45Å; F415-G417 PolarHBondContact O-N 2.9Å
418	D	88.9	Confident	89.9	Confident	93 Å²	93	57.1 Å²	57.1	50%	0.497	30%	0.301	S	S	.	.			trans	-63	139.1	178.6	-63.4	-49.6	0	0	0	111.6	K414 S416	K414-D418 HydrophobicContact CB-CB 4.38Å; K414-D418 HydrophobicContact CD-CB 4.26Å; K414-D418 PolarHBondContact N-O 3.07Å; S416-D418 VanDerWaalsContact C-N 3.32Å; S416-D418 VanDerWaalsContact CB-OD2 3.28Å; S416-D418 WeakPolarHBondContact CB-OD2 3.48Å; S416-D418 WeakPolarHBondContact OG-CB 3.4Å; S416-D418 PolarHBondContact OG-N 3.38Å; S416-D418 PolarHBondContact OG-OD2 2.62Å
419	M	90.3	Very high	90	Very high	122 Å²	122	58.4 Å²	58.4	60%	0.601	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109	108.1	-179.7	-61.4	-167.9	-175.4	0	0	111	L411 F412 V413	L411-M419 HydrophobicContact CB-CB 4.36Å; L411-M419 HydrophobicContact CD1-CB 4.43Å; L411-M419 HydrophobicContact CD1-SD 3.97Å; L411-M419 HydrophobicContact CD2-CB 4.43Å; F412-M419 WeakPolarHBondContact O-CA 3.46Å; V413-M419 HydrophobicContact CG2-CE 4.37Å; V413-M419 HydrophobicContact CG2-CG 4.27Å
420	V	93.1	Very high	90.1	Very high	51 Å²	51	51.2 Å²	51.2	31%	0.309	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	133.3	178.1	-178.7	0	0	0	0	110	L411 F412 K414 V422	L411-V420 CarbonylContact C-O 3.54Å; L411-V420 WeakPolarHBondContact CA-O 3.45Å; F412-V420 PolarHBondContact N-O 3.19Å; F412-V420 PolarHBondContact O-N 2.9Å; K414-V420 HydrophobicContact CD-CG2 4.41Å; V420-V422 HydrophobicContact CG1-CG1 4.18Å; V420-V422 PolarHBondContact O-N 2.96Å
421	R	94.1	Very high	90.3	Very high	172 Å²	172	53.6 Å²	53.6	65%	0.649	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.3	110.6	178.7	-174.4	178.7	-68.5	-96.7	1.6	111.2	K409 G410 L411	K409-R421 HydrophobicContact CB-CG 4.14Å; K409-R421 HydrophobicContact CD-CG 4.37Å; G410-R421 CarbonylContact O-C 3.53Å; G410-R421 VanDerWaalsContact O-CA 3.27Å; G410-R421 WeakPolarHBondContact O-CA 3.48Å; L411-R421 HydrophobicContact CD2-CB 4.14Å
422	V	93.3	Very high	90.5	Very high	7 Å²	7	50.1 Å²	50.1	4%	0.042	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	154.9	-175.1	-61.5	0	0	0	0	112.7	K409 G410 F412 V420 L424 P500 L575 P599	K409-V422 CarbonylContact C-O 3.57Å; K409-V422 VanDerWaalsContact CA-O 3.24Å; K409-V422 WeakPolarHBondContact CA-O 3.45Å; G410-V422 PolarHBondContact N-O 3.33Å; G410-V422 PolarHBondContact O-N 3.45Å; F412-V422 HydrophobicContact CB-CG1 4.08Å; F412-V422 HydrophobicContact CB-CG2 4.01Å; V420-V422 HydrophobicContact CG1-CG1 4.18Å; V420-V422 PolarHBondContact O-N 2.96Å; V422-L424 HydrophobicContact CG2-CD2 4.16Å; V422-P500 HydrophobicContact CG2-CB 4.15Å; V422-L575 HydrophobicContact CG2-CD2 4.49Å; V422-P599 HydrophobicContact CG1-CB 3.82Å; V422-P599 HydrophobicContact CG1-CG 3.47Å; V422-P599 VanDerWaalsContact CG1-CG 3.47Å
423	P	93.2	Very high	90.7	Very high	53 Å²	53	50.3 Å²	50.3	34%	0.344	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	149.2	165.8	-13.4	29.4	0	0	0	111.1	K408 Q501	K408-P423 WeakPolarHBondContact O-CA 3.49Å; P423-Q501 HydrophobicContact CB-CB 4.06Å; P423-Q501 HydrophobicContact CB-CG 3.9Å; P423-Q501 HydrophobicContact CG-CB 4.48Å; P423-Q501 PolarHBondContact O-N 2.85Å
424	L	91.3	Very high	90.9	Very high	14 Å²	14	50.3 Å²	50.3	7%	0.073	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	130.9	-175.4	-63.9	-177.1	0	0	0	113.6	K408 V422 T498 L499 L575	K408-L424 HydrophobicContact CB-CB 3.93Å; K408-L424 HydrophobicContact CB-CD1 4.26Å; K408-L424 PolarHBondContact O-N 3.2Å; V422-L424 HydrophobicContact CG2-CD2 4.16Å; L424-T498 HydrophobicContact CD1-CG2 3.86Å; L424-T498 HydrophobicContact CD2-CG2 3.92Å; L424-T498 HydrophobicContact CG-CG2 4.35Å; L424-L499 WeakPolarHBondContact CA-O 3.21Å; L424-L575 HydrophobicContact CD2-CD1 4.06Å; L424-L575 HydrophobicContact CD2-CD2 3.47Å; L424-L575 VanDerWaalsContact CD2-CD2 3.47Å; L424-L575 HydrophobicContact CD2-CG 4.39Å
425	I	91.6	Very high	91.1	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	114.6	161.1	-57	168.8	0	0	0	107.3	F403 L499 Q501 L550 E552	F403-I425 HydrophobicContact CB-CG2 3.72Å; F403-I425 HydrophobicContact CD1-CG2 3.44Å; F403-I425 VanDerWaalsContact CD1-CG2 3.44Å; F403-I425 HydrophobicContact CD2-CG2 3.47Å; F403-I425 VanDerWaalsContact CD2-CG2 3.47Å; F403-I425 HydrophobicContact CE1-CG2 3.8Å; F403-I425 HydrophobicContact CE2-CG2 3.82Å; F403-I425 HydrophobicContact CG-CG2 3.24Å; F403-I425 HydrophobicContact CZ-CG2 3.97Å; I425-L499 HydrophobicContact CB-CB 4.24Å; I425-L499 PolarHBondContact N-O 3.42Å; I425-L499 PolarHBondContact O-N 2.97Å; I425-Q501 HydrophobicContact CD1-CG 4.41Å; I425-Q501 HydrophobicContact CG1-CG 3.92Å; I425-L550 HydrophobicContact CD1-CB 3.83Å; I425-E552 HydrophobicContact CG1-CG 4.44Å
426	Y	90.1	Very high	91.6	Very high	36 Å²	36	52.9 Å²	52.9	14%	0.141	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	138	-172.2	176.1	-93.8	0	0	0	113.2	N404 K408 S428 E496 V497 T498	N404-Y426 VanDerWaalsContact CB-O 3.23Å; N404-Y426 WeakPolarHBondContact CB-O 3.33Å; N404-Y426 PolarHBondContact N-O 2.9Å; K408-Y426 HydrophobicContact CD-CD1 3.95Å; K408-Y426 HydrophobicContact CD-CD2 4.43Å; K408-Y426 HydrophobicContact CD-CG 3.83Å; Y426-S428 WeakPolarHBondContact OH-CB 3.43Å; Y426-E496 HydrophobicContact CE2-CG 4.04Å; Y426-E496 VanDerWaalsContact CE2-OE1 3.29Å; Y426-E496 WeakPolarHBondContact CE2-OE1 3.33Å; Y426-E496 VanDerWaalsContact CZ-OE1 3.3Å; Y426-E496 PolarHBondContact OH-OE1 3.14Å; Y426-V497 WeakPolarHBondContact CA-O 3.37Å; Y426-T498 WeakPolarHBondContact CD2-OG1 3.47Å
427	N	89.7	Confident	92.1	Very high	33 Å²	33	49.2 Å²	49.2	18%	0.176	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	125.3	165.2	-178.1	-11.8	0	0	0	109.8	K402 F403 K429 Y430 V497	K402-N427 PolarHBondContact O-ND2 2.8Å; F403-N427 HydrophobicContact CD1-CB 3.65Å; F403-N427 HydrophobicContact CE1-CB 4.25Å; F403-N427 HydrophobicContact CG-CB 4.47Å; N427-K429 PolarHBondContact O-N 3.12Å; N427-K429 VanDerWaalsContact OD1-C 3.28Å; N427-K429 PolarHBondContact OD1-N 2.89Å; N427-K429 PolarHBondContact OD1-O 3.1Å; N427-Y430 HydrophobicContact CB-CD2 4.03Å; N427-V497 PolarHBondContact N-O 2.03Å; N427-V497 PolarHBondContact O-N 3.33Å
428	S	86.7	Confident	92.5	Very high	47 Å²	47	50.5 Å²	50.5	33%	0.329	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	-10.6	-179.5	55.3	0	0	0	0	114.5	Y426 F569	Y426-S428 WeakPolarHBondContact OH-CB 3.43Å; S428-F569 VanDerWaalsContact O-CD2 3.27Å; S428-F569 WeakPolarHBondContact O-CD2 3.28Å
429	K	89.4	Confident	92.8	Very high	112 Å²	112	50 Å²	50	49%	0.487	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	63.3	-179.2	-170.4	-175.2	173.9	-171.7	0	109.3	N427 N494 F569	N427-K429 PolarHBondContact O-N 3.12Å; N427-K429 VanDerWaalsContact OD1-C 3.28Å; N427-K429 PolarHBondContact OD1-N 2.89Å; N427-K429 PolarHBondContact OD1-O 3.1Å; K429-N494 WeakPolarHBondContact CE-OD1 3.41Å; K429-N494 HydrophobicContact CG-CB 4.06Å; K429-N494 WeakPolarHBondContact CG-OD1 3.3Å; K429-F569 HydrophobicContact CB-CD2 4.31Å; K429-F569 HydrophobicContact CB-CE2 3.97Å; K429-F569 HydrophobicContact CD-CE2 3.98Å; K429-F569 HydrophobicContact CD-CZ 3.96Å; K429-F569 HydrophobicContact CG-CD2 4.31Å; K429-F569 HydrophobicContact CG-CE2 3.69Å; K429-F569 HydrophobicContact CG-CZ 3.88Å
430	Y	91.3	Very high	93.1	Very high	1 Å²	1	44.2 Å²	44.2	0%	0.004	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	141.4	176.3	-164.9	-89.1	0	0	0	110.6	F401 F403 N427 A432 F447 N494 L495 V497	F401-Y430 HydrophobicContact CB-CD2 4.45Å; F401-Y430 HydrophobicContact CB-CE1 4.27Å; F401-Y430 HydrophobicContact CB-CE2 3.89Å; F401-Y430 WeakPolarHBondContact O-CE2 3.2Å; F401-Y430 PolarHBondContact O-OH 3.42Å; F403-Y430 AromaticContact CD1-CD2 3.79Å; F403-Y430 HydrophobicContact CD1-CD2 3.79Å; F403-Y430 HydrophobicContact CD1-CE2 4.03Å; F403-Y430 HydrophobicContact CD2-CD2 4.19Å; F403-Y430 AromaticContact CD2-CE2 3.56Å; F403-Y430 HydrophobicContact CD2-CE2 3.56Å; F403-Y430 AromaticContact CE1-CD2 3.5Å; F403-Y430 HydrophobicContact CE1-CD2 3.5Å; F403-Y430 VanDerWaalsContact CE1-CD2 3.5Å; F403-Y430 AromaticContact CE1-CE2 3.73Å; F403-Y430 HydrophobicContact CE1-CE2 3.73Å; F403-Y430 HydrophobicContact CE1-CG 4.06Å; F403-Y430 AromaticContact CE2-CD2 3.92Å; F403-Y430 HydrophobicContact CE2-CD2 3.92Å; F403-Y430 AromaticContact CE2-CE2 3.22Å; F403-Y430 HydrophobicContact CE2-CE2 3.22Å; F403-Y430 AromaticContact CE2-CZ 3.61Å; F403-Y430 HydrophobicContact CG-CD2 4.15Å; F403-Y430 AromaticContact CG-CE2 3.97Å; F403-Y430 HydrophobicContact CG-CE2 3.97Å; F403-Y430 HydrophobicContact CZ-CD1 4.44Å; F403-Y430 AromaticContact CZ-CD2 3.58Å; F403-Y430 HydrophobicContact CZ-CD2 3.58Å; F403-Y430 HydrophobicContact CZ-CE1 4.26Å; F403-Y430 AromaticContact CZ-CE2 3.32Å; F403-Y430 HydrophobicContact CZ-CE2 3.32Å; F403-Y430 HydrophobicContact CZ-CG 4.14Å; F403-Y430 AromaticContact CZ-CZ 3.69Å; N427-Y430 HydrophobicContact CB-CD2 4.03Å; Y430-A432 HydrophobicContact CD1-CB 3.64Å; Y430-A432 HydrophobicContact CE1-CB 3.89Å; Y430-F447 HydrophobicContact CD1-CD1 4.25Å; Y430-F447 AromaticContact CE1-CD1 3.79Å; Y430-F447 HydrophobicContact CE1-CD1 3.79Å; Y430-F447 HydrophobicContact CE1-CE1 4.48Å; Y430-N494 CarbonylContact O-C 3.55Å; Y430-N494 WeakPolarHBondContact O-CA 3.33Å; Y430-L495 PolarHBondContact N-O 3.03Å; Y430-L495 PolarHBondContact O-N 2.84Å; Y430-V497 HydrophobicContact CD1-CG2 4.24Å; Y430-V497 HydrophobicContact CG-CG2 4.18Å
431	M	93.1	Very high	93.2	Very high	63 Å²	63	45.3 Å²	45.3	31%	0.31	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	107.2	173.2	-78.1	-66.1	-168.5	0	0	110.5	F401 Q493 N494	F401-M431 HydrophobicContact CD1-CB 3.86Å; F401-M431 HydrophobicContact CD1-CG 4.38Å; F401-M431 HydrophobicContact CD2-CB 3.63Å; F401-M431 WeakPolarHBondContact CD2-O 3.45Å; F401-M431 HydrophobicContact CE1-CB 3.81Å; F401-M431 HydrophobicContact CE1-CG 4.17Å; F401-M431 HydrophobicContact CE2-CB 3.57Å; F401-M431 HydrophobicContact CG-CB 3.77Å; F401-M431 HydrophobicContact CZ-CB 3.66Å; F401-M431 HydrophobicContact CZ-CG 4.32Å; M431-Q493 WeakPolarHBondContact CA-O 3.43Å; M431-Q493 VanDerWaalsContact SD-C 3.57Å; M431-N494 WeakPolarHBondContact CE-ND2 3.45Å; M431-N494 WeakPolarHBondContact CE-OD1 3.13Å
432	A	95.4	Very high	93.3	Very high	3 Å²	3	37.1 Å²	37.1	3%	0.025	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	166.6	179.3	0	0	0	0	0	111.2	Y430 R446 F447 Q493 L495	Y430-A432 HydrophobicContact CD1-CB 3.64Å; Y430-A432 HydrophobicContact CE1-CB 3.89Å; A432-R446 WeakPolarHBondContact CB-O 3.32Å; A432-F447 HydrophobicContact CB-CD1 3.93Å; A432-F447 HydrophobicContact CB-CE1 3.95Å; A432-Q493 PolarHBondContact N-O 3.21Å; A432-Q493 PolarHBondContact O-N 2.96Å; A432-Q493 VanDerWaalsContact O-O 3.06Å; A432-L495 HydrophobicContact CB-CD1 3.98Å
433	T	96.6	Very high	93.4	Very high	3 Å²	3	39.8 Å²	39.8	2%	0.018	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	137.2	171.6	-60	0	0	0	0	109	G445 R446 V487 I490	T433-G445 CarbonylContact O-C 3.51Å; T433-G445 WeakPolarHBondContact O-CA 3.37Å; T433-R446 PolarHBondContact N-O 3.07Å; T433-R446 PolarHBondContact O-N 3.42Å; T433-V487 HydrophobicContact CG2-CG1 3.95Å; T433-I490 HydrophobicContact CG2-CB 3.66Å; T433-I490 HydrophobicContact CG2-CG2 3.71Å; T433-I490 PolarHBondContact OG1-O 3.44Å
434	M	94.7	Very high	93.6	Very high	35 Å²	35	37.2 Å²	37.2	17%	0.172	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	133.3	173.1	176.4	-172.2	73.8	0	0	109	Q443 V444 L495 P570 F572	M434-Q443 HydrophobicContact CG-CG 4.36Å; M434-Q443 PolarHBondContact SD-NE2 3.35Å; M434-V444 VanDerWaalsContact CA-O 3.3Å; M434-V444 WeakPolarHBondContact CA-O 3.39Å; M434-L495 HydrophobicContact CB-CD1 3.62Å; M434-L495 HydrophobicContact CB-CD2 4.46Å; M434-L495 HydrophobicContact CE-CD2 4.28Å; M434-P570 HydrophobicContact CE-CB 3.97Å; M434-F572 HydrophobicContact CG-CD2 3.87Å; M434-F572 HydrophobicContact SD-CB 3.91Å; M434-F572 HydrophobicContact SD-CD2 3.74Å; M434-F572 HydrophobicContact SD-CG 4.33Å
435	T	95.4	Very high	93.9	Very high	37 Å²	37	36.6 Å²	36.6	23%	0.227	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	176.9	175.9	-163.5	0	0	0	0	111	V444 L486 V487 I490	T435-V444 PolarHBondContact N-O 3.29Å; T435-V444 PolarHBondContact O-N 3.13Å; T435-L486 HydrophobicContact CG2-CD2 4.45Å; T435-V487 HydrophobicContact CG2-CG2 3.65Å; T435-I490 HydrophobicContact CG2-CD1 4.01Å
436	Y	94.6	Very high	94.2	Very high	104 Å²	104	38.8 Å²	38.8	41%	0.408	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	129	166.6	-179.2	-106.6	0	0	0	109	P438 K441 A442 F461	Y436-P438 HydrophobicContact CD1-CG 4.24Å; Y436-P438 HydrophobicContact CE1-CB 4.28Å; Y436-P438 HydrophobicContact CE1-CG 4.44Å; Y436-P438 WeakPolarHBondContact O-CD 3.06Å; Y436-K441 WeakPolarHBondContact OH-CA 3.4Å; Y436-A442 WeakPolarHBondContact CA-O 3.33Å; Y436-A442 VanDerWaalsContact CD2-O 3.26Å; Y436-A442 WeakPolarHBondContact CD2-O 3.35Å; Y436-F461 HydrophobicContact CE2-CD2 4.19Å
437	A	96.6	Very high	94.5	Very high	3 Å²	3	37 Å²	37	3%	0.025	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	104.7	174.7	0	0	0	0	0	108.7	D439 L440 K441 A442 V444 M483	A437-D439 PolarHBondContact O-N 2.77Å; A437-L440 HydrophobicContact CB-CB 4.29Å; A437-L440 HydrophobicContact CB-CD1 4.41Å; A437-L440 HydrophobicContact CB-CG 4.49Å; A437-L440 PolarHBondContact O-N 2.79Å; A437-K441 PolarHBondContact O-N 3.47Å; A437-A442 PolarHBondContact N-O 2.96Å; A437-A442 PolarHBondContact O-N 3.36Å; A437-V444 HydrophobicContact CB-CG2 3.77Å; A437-M483 HydrophobicContact CB-CB 4.39Å; A437-M483 HydrophobicContact CB-CG 3.9Å
438	P	92.9	Very high	94.7	Very high	72 Å²	72	36.8 Å²	36.8	47%	0.468	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-42.3	-170.3	-23.2	35.4	0	0	0	113.3	Y436 L440 K441	Y436-P438 HydrophobicContact CD1-CG 4.24Å; Y436-P438 HydrophobicContact CE1-CB 4.28Å; Y436-P438 HydrophobicContact CE1-CG 4.44Å; Y436-P438 WeakPolarHBondContact O-CD 3.06Å; P438-L440 VanDerWaalsContact C-N 3.3Å; P438-L440 PolarHBondContact O-N 3.49Å; P438-K441 PolarHBondContact O-N 2.88Å
439	D	95.8	Very high	94.9	Very high	81 Å²	81	34.9 Å²	34.9	43%	0.433	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-33.1	-174.1	-53.8	-68.6	0	0	0	112.3	A437 R474	A437-D439 PolarHBondContact O-N 2.77Å; D439-R474 WeakPolarHBondContact O-CB 3.34Å; D439-R474 VanDerWaalsContact O-CD 3.24Å; D439-R474 WeakPolarHBondContact O-CD 3.32Å; D439-R474 PolarHBondContact O-NH1 2.94Å
440	L	96.6	Very high	94.8	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-15.2	172.1	-59.1	-175.8	0	0	0	113.7	A437 P438 A442 L458 M471 R474 M475 N479 M483	A437-L440 HydrophobicContact CB-CB 4.29Å; A437-L440 HydrophobicContact CB-CD1 4.41Å; A437-L440 HydrophobicContact CB-CG 4.49Å; A437-L440 PolarHBondContact O-N 2.79Å; P438-L440 VanDerWaalsContact C-N 3.3Å; P438-L440 PolarHBondContact O-N 3.49Å; L440-A442 HydrophobicContact CB-CB 3.95Å; L440-A442 PolarHBondContact O-N 3.11Å; L440-L458 HydrophobicContact CD1-CD2 3.72Å; L440-M471 WeakPolarHBondContact O-CA 3.41Å; L440-M471 WeakPolarHBondContact O-CG 3.43Å; L440-R474 HydrophobicContact CD2-CB 4.21Å; L440-R474 WeakPolarHBondContact CD2-O 3.3Å; L440-M475 HydrophobicContact CD2-CG 4.08Å; L440-N479 HydrophobicContact CD2-CB 3.69Å; L440-M483 HydrophobicContact CD1-CB 3.81Å; L440-M483 HydrophobicContact CD1-CG 3.8Å
441	K	94.6	Very high	94.5	Very high	75 Å²	75	33.9 Å²	33.9	33%	0.326	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	38.6	-166.6	-57.4	-176.5	178.7	-178.1	0	113.8	Y436 A437 P438 F461	Y436-K441 WeakPolarHBondContact OH-CA 3.4Å; A437-K441 PolarHBondContact O-N 3.47Å; P438-K441 PolarHBondContact O-N 2.88Å; K441-F461 PolarHBondContact O-N 3.03Å
442	A	96.3	Very high	94.3	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	142	-171.8	0	0	0	0	0	112.6	Y436 A437 L440 V444 L458 L459 M471	Y436-A442 WeakPolarHBondContact CA-O 3.33Å; Y436-A442 VanDerWaalsContact CD2-O 3.26Å; Y436-A442 WeakPolarHBondContact CD2-O 3.35Å; A437-A442 PolarHBondContact N-O 2.96Å; A437-A442 PolarHBondContact O-N 3.36Å; L440-A442 HydrophobicContact CB-CB 3.95Å; L440-A442 PolarHBondContact O-N 3.11Å; A442-V444 HydrophobicContact CB-CG2 4.18Å; A442-L458 HydrophobicContact CB-CB 4.44Å; A442-L459 CarbonylContact C-O 3.59Å; A442-L459 WeakPolarHBondContact CA-O 3.42Å; A442-M471 HydrophobicContact CB-CG 3.96Å; A442-M471 HydrophobicContact CB-SD 3.58Å; A442-M471 VanDerWaalsContact CB-SD 3.58Å
443	Q	95.9	Very high	94.1	Very high	62 Å²	62	35 Å²	35	29%	0.29	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	125.9	158.8	-175.8	-177.4	28.5	0	0	108	M434 L459 F572	M434-Q443 HydrophobicContact CG-CG 4.36Å; M434-Q443 PolarHBondContact SD-NE2 3.35Å; Q443-L459 HydrophobicContact CB-CB 4.34Å; Q443-L459 PolarHBondContact N-O 2.97Å; Q443-L459 PolarHBondContact O-N 2.84Å; Q443-F572 HydrophobicContact CG-CD2 4.46Å; Q443-F572 HydrophobicContact CG-CE2 4.27Å
444	V	98.1	Very high	94	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	127.4	-175.6	-170.3	0	0	0	0	110.1	M434 T435 A437 A442 Y456 I457 L458 M483 V487	M434-V444 VanDerWaalsContact CA-O 3.3Å; M434-V444 WeakPolarHBondContact CA-O 3.39Å; T435-V444 PolarHBondContact N-O 3.29Å; T435-V444 PolarHBondContact O-N 3.13Å; A437-V444 HydrophobicContact CB-CG2 3.77Å; A442-V444 HydrophobicContact CB-CG2 4.18Å; V444-Y456 HydrophobicContact CG1-CD1 4.14Å; V444-I457 WeakPolarHBondContact CA-O 3.33Å; V444-L458 HydrophobicContact CG1-CD1 4.46Å; V444-L458 HydrophobicContact CG1-CG 4.42Å; V444-L458 HydrophobicContact CG2-CG 4.19Å; V444-M483 HydrophobicContact CG1-SD 3.79Å; V444-M483 HydrophobicContact CG2-CG 4.01Å; V444-M483 HydrophobicContact CG2-SD 4.36Å; V444-V487 HydrophobicContact CB-CG2 4.29Å; V444-V487 HydrophobicContact CG1-CG2 4.14Å
445	G	97.5	Very high	94.1	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	127.3	168.3	0	0	0	0	0	110.8	T433 Y456 I457	T433-G445 CarbonylContact O-C 3.51Å; T433-G445 WeakPolarHBondContact O-CA 3.37Å; G445-Y456 CarbonylContact O-C 3.55Å; G445-Y456 WeakPolarHBondContact O-CA 3.04Å; G445-I457 PolarHBondContact N-O 3.44Å; G445-I457 PolarHBondContact O-N 2.78Å
446	R	97.6	Very high	94.2	Very high	46 Å²	46	31.6 Å²	31.6	17%	0.174	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	124.3	173.3	177.3	-172.5	-179.6	-162.4	14.3	110.4	A432 T433 S454 L455 Y456 V487 D585	A432-R446 WeakPolarHBondContact CB-O 3.32Å; T433-R446 PolarHBondContact N-O 3.07Å; T433-R446 PolarHBondContact O-N 3.42Å; R446-S454 PolarHBondContact NE-OG 2.88Å; R446-S454 PolarHBondContact NH2-OG 3.38Å; R446-L455 WeakPolarHBondContact CA-O 3.26Å; R446-Y456 HydrophobicContact CB-CD1 3.93Å; R446-Y456 HydrophobicContact CB-CE1 3.77Å; R446-Y456 WeakPolarHBondContact CD-OH 3.49Å; R446-Y456 HydrophobicContact CG-CD1 4.16Å; R446-Y456 HydrophobicContact CG-CE1 3.65Å; R446-Y456 HydrophobicContact CG-CE2 4.4Å; R446-Y456 PolarHBondContact NE-OH 3.36Å; R446-Y456 VanDerWaalsContact NE-OH 3.17Å; R446-V487 HydrophobicContact CB-CG1 3.47Å; R446-V487 VanDerWaalsContact CB-CG1 3.47Å; R446-V487 HydrophobicContact CG-CG1 4.28Å; R446-D585 IonicContact CZ-OD1 3.7Å; R446-D585 IonicContact NH2-OD1 3.44Å; R446-D585 PolarHBondContact NH2-OD1 3.37Å; R446-D585 IonicContact NH2-OD2 3.53Å
447	F	95.6	Very high	94.4	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	107.5	179.7	-55	-82	0	0	0	108.9	W399 Y430 A432 L455 I457 V497 L499 F572	W399-F447 HydrophobicContact CE3-CB 4Å; W399-F447 HydrophobicContact CZ3-CB 3.54Å; W399-F447 HydrophobicContact CZ3-CG 4.25Å; Y430-F447 HydrophobicContact CD1-CD1 4.25Å; Y430-F447 AromaticContact CE1-CD1 3.79Å; Y430-F447 HydrophobicContact CE1-CD1 3.79Å; Y430-F447 HydrophobicContact CE1-CE1 4.48Å; A432-F447 HydrophobicContact CB-CD1 3.93Å; A432-F447 HydrophobicContact CB-CE1 3.95Å; F447-L455 HydrophobicContact CB-CB 4.44Å; F447-L455 PolarHBondContact N-O 2.96Å; F447-L455 PolarHBondContact O-N 2.83Å; F447-I457 HydrophobicContact CD2-CD1 4.22Å; F447-I457 HydrophobicContact CD2-CG1 4.35Å; F447-I457 HydrophobicContact CE2-CB 4.27Å; F447-I457 HydrophobicContact CE2-CD1 3.88Å; F447-I457 HydrophobicContact CE2-CG1 4.13Å; F447-V497 HydrophobicContact CE1-CB 4.5Å; F447-V497 HydrophobicContact CE1-CG1 3.65Å; F447-V497 HydrophobicContact CE1-CG2 4.01Å; F447-V497 HydrophobicContact CZ-CG1 4.06Å; F447-L499 HydrophobicContact CE2-CD1 4.47Å; F447-L499 HydrophobicContact CE2-CD2 4.44Å; F447-L499 HydrophobicContact CZ-CD1 4.41Å; F447-L499 HydrophobicContact CZ-CD2 4.21Å; F447-F572 HydrophobicContact CE2-CD1 4.28Å; F447-F572 AromaticContact CE2-CE1 3.9Å; F447-F572 HydrophobicContact CE2-CE1 3.9Å; F447-F572 HydrophobicContact CE2-CZ 4.45Å; F447-F572 AromaticContact CZ-CD1 3.64Å; F447-F572 HydrophobicContact CZ-CD1 3.64Å; F447-F572 AromaticContact CZ-CE1 3.74Å; F447-F572 HydrophobicContact CZ-CE1 3.74Å; F447-F572 HydrophobicContact CZ-CG 4.36Å
448	A	94.2	Very high	94.4	Very high	27 Å²	27	26.5 Å²	26.5	22%	0.223	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	137.9	179.3	0	0	0	0	0	111.4	K400	K400-A448 HydrophobicContact CB-CB 4Å; K400-A448 VanDerWaalsContact CB-O 3.28Å; K400-A448 WeakPolarHBondContact CB-O 3.47Å; K400-A448 HydrophobicContact CD-CB 3.93Å; K400-A448 PolarHBondContact N-O 2.94Å
449	L	91.6	Very high	94.6	Very high	7 Å²	7	23 Å²	23	4%	0.037	13%	0.128	C	C	.	.	B	Isolated β-bridge	trans	-113.3	173.8	177.5	-59.7	161.7	0	0	0	110.4	F395 Q398 W399 N453 L455 L582	F395-L449 HydrophobicContact CE1-CD1 3.85Å; F395-L449 HydrophobicContact CZ-CD1 3.97Å; Q398-L449 CarbonylContact O-C 3.36Å; Q398-L449 WeakPolarHBondContact O-CA 3.46Å; Q398-L449 WeakPolarHBondContact O-CB 3.32Å; Q398-L449 WeakPolarHBondContact O-CD2 3.39Å; W399-L449 HydrophobicContact CD2-CD2 4.05Å; W399-L449 HydrophobicContact CE3-CD2 3.4Å; W399-L449 VanDerWaalsContact CE3-CD2 3.4Å; W399-L449 HydrophobicContact CE3-CG 4.43Å; W399-L449 HydrophobicContact CZ3-CD2 3.79Å; L449-N453 WeakPolarHBondContact CA-O 3.36Å; L449-N453 HydrophobicContact CB-CB 4.35Å; L449-N453 WeakPolarHBondContact CB-O 3.31Å; L449-N453 HydrophobicContact CD1-CB 4.28Å; L449-N453 PolarHBondContact N-O 3.04Å; L449-L455 HydrophobicContact CD1-CB 4.25Å; L449-L582 HydrophobicContact CD1-CD1 3.38Å
450	T	86.4	Confident	94.4	Very high	60 Å²	60	19.2 Å²	19.2	37%	0.368	11%	0.107	S	C	.	.	S	Bend	trans	-73.8	154.6	169.3	55.5	0	0	0	0	111.8	Q398 N453	Q398-T450 HydrophobicContact CB-CG2 3.81Å; Q398-T450 PolarHBondContact N-OG1 2.98Å; Q398-T450 PolarHBondContact O-N 3.33Å; T450-N453 PolarHBondContact O-ND2 3.47Å
451	G	84.6	Confident	93.6	Very high	33 Å²	33	26.9 Å²	26.9	34%	0.34	14%	0.141	S	C	.	.	S	Bend	trans	70.5	33.1	178.6	0	0	0	0	0	113.7	N453	G451-N453 VanDerWaalsContact C-ND2 3.28Å; G451-N453 PolarHBondContact O-N 3.01Å; G451-N453 PolarHBondContact O-ND2 3.44Å
452	D	88.8	Confident	92.9	Very high	88 Å²	88	24.2 Å²	24.2	47%	0.471	14%	0.135	S	C	.	.	S	Bend	trans	51.3	58	177.6	-59.4	-32	0	0	0	114.1	D585 Q586	D452-D585 PolarHBondContact O-N 3Å; D452-Q586 HydrophobicContact CB-CB 4.06Å; D452-Q586 PolarHBondContact O-N 3.49Å
453	N	91.9	Very high	92.2	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	156.4	170.9	-44.4	-84	0	0	0	109.7	S317 F395 L449 T450 G451 W583 D585 L591	S317-N453 WeakPolarHBondContact CB-ND2 3.09Å; S317-N453 PolarHBondContact OG-ND2 3.37Å; S317-N453 PolarHBondContact OG-OD1 3.2Å; F395-N453 HydrophobicContact CZ-CB 4.22Å; L449-N453 WeakPolarHBondContact CA-O 3.36Å; L449-N453 HydrophobicContact CB-CB 4.35Å; L449-N453 WeakPolarHBondContact CB-O 3.31Å; L449-N453 HydrophobicContact CD1-CB 4.28Å; L449-N453 PolarHBondContact N-O 3.04Å; T450-N453 PolarHBondContact O-ND2 3.47Å; G451-N453 VanDerWaalsContact C-ND2 3.28Å; G451-N453 PolarHBondContact O-N 3.01Å; G451-N453 PolarHBondContact O-ND2 3.44Å; N453-W583 CarbonylContact C-O 3.01Å; N453-W583 VanDerWaalsContact CA-O 3.25Å; N453-W583 WeakPolarHBondContact CA-O 3Å; N453-W583 WeakPolarHBondContact CB-O 3.42Å; N453-D585 WeakPolarHBondContact CA-OD2 3.19Å; N453-L591 WeakPolarHBondContact OD1-CD1 3.27Å
454	S	95.1	Very high	91.8	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	132.8	176.9	-75.1	0	0	0	0	110.1	R446 Y456 W583 D585	R446-S454 PolarHBondContact NE-OG 2.88Å; R446-S454 PolarHBondContact NH2-OG 3.38Å; S454-Y456 VanDerWaalsContact CB-CE2 3.41Å; S454-W583 PolarHBondContact N-O 3.43Å; S454-W583 PolarHBondContact O-N 3.4Å; S454-D585 VanDerWaalsContact CB-OD2 3.28Å; S454-D585 WeakPolarHBondContact CB-OD2 3.28Å; S454-D585 PolarHBondContact N-OD2 3.43Å; S454-D585 PolarHBondContact OG-OD1 3.46Å; S454-D585 PolarHBondContact OG-OD2 2.88Å
455	L	95.9	Very high	91.5	Very high	4 Å²	4	33.5 Å²	33.5	2%	0.021	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	123.2	166	-176.2	72.5	0	0	0	108.8	W399 R446 F447 L449 I457 L550 L580 L582	W399-L455 HydrophobicContact CH2-CD2 3.61Å; W399-L455 HydrophobicContact CZ3-CB 4.27Å; W399-L455 HydrophobicContact CZ3-CD2 3.96Å; R446-L455 WeakPolarHBondContact CA-O 3.26Å; F447-L455 HydrophobicContact CB-CB 4.44Å; F447-L455 PolarHBondContact N-O 2.96Å; F447-L455 PolarHBondContact O-N 2.83Å; L449-L455 HydrophobicContact CD1-CB 4.25Å; L455-I457 HydrophobicContact CD2-CD1 4.04Å; L455-I457 HydrophobicContact CD2-CG1 4.09Å; L455-I457 HydrophobicContact CG-CG1 4.22Å; L455-L550 HydrophobicContact CD2-CD1 4.29Å; L455-L550 HydrophobicContact CD2-CD2 3.76Å; L455-L580 HydrophobicContact CD1-CB 4.26Å; L455-L580 HydrophobicContact CD1-CD1 4.45Å; L455-L582 HydrophobicContact CB-CD1 4.43Å; L455-L582 HydrophobicContact CD1-CB 4.36Å; L455-L582 HydrophobicContact CD1-CD1 4.39Å
456	Y	98	Very high	91.3	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	128.9	170.2	-62	-100.3	0	0	0	108.4	V444 G445 R446 S454 M483 I484 V487 L580 L581 W583	V444-Y456 HydrophobicContact CG1-CD1 4.14Å; G445-Y456 CarbonylContact O-C 3.55Å; G445-Y456 WeakPolarHBondContact O-CA 3.04Å; R446-Y456 HydrophobicContact CB-CD1 3.93Å; R446-Y456 HydrophobicContact CB-CE1 3.77Å; R446-Y456 WeakPolarHBondContact CD-OH 3.49Å; R446-Y456 HydrophobicContact CG-CD1 4.16Å; R446-Y456 HydrophobicContact CG-CE1 3.65Å; R446-Y456 HydrophobicContact CG-CE2 4.4Å; R446-Y456 PolarHBondContact NE-OH 3.36Å; R446-Y456 VanDerWaalsContact NE-OH 3.17Å; S454-Y456 VanDerWaalsContact CB-CE2 3.41Å; Y456-M483 HydrophobicContact CD1-SD 3.96Å; Y456-M483 HydrophobicContact CE1-SD 4.44Å; Y456-I484 HydrophobicContact CD1-CD1 4Å; Y456-I484 HydrophobicContact CD2-CD1 3.72Å; Y456-I484 HydrophobicContact CE1-CD1 3.7Å; Y456-I484 HydrophobicContact CE2-CD1 3.42Å; Y456-I484 VanDerWaalsContact CE2-CD1 3.42Å; Y456-I484 HydrophobicContact CG-CD1 4.01Å; Y456-I484 VanDerWaalsContact CZ-CD1 3.41Å; Y456-V487 HydrophobicContact CD1-CG1 4.23Å; Y456-V487 HydrophobicContact CE1-CB 4Å; Y456-V487 HydrophobicContact CE1-CG1 3.77Å; Y456-L580 WeakPolarHBondContact O-CA 3.23Å; Y456-L581 PolarHBondContact N-O 3.39Å; Y456-L581 PolarHBondContact O-N 2.86Å; Y456-W583 HydrophobicContact CD2-CB 4Å; Y456-W583 HydrophobicContact CE2-CB 3.68Å; Y456-W583 HydrophobicContact CE2-CG 4.26Å
457	I	97.9	Very high	91	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	117.9	173	-62.5	179.6	0	0	0	107.5	V444 G445 F447 L455 L499 F572 A574 F578	V444-I457 WeakPolarHBondContact CA-O 3.33Å; G445-I457 PolarHBondContact N-O 3.44Å; G445-I457 PolarHBondContact O-N 2.78Å; F447-I457 HydrophobicContact CD2-CD1 4.22Å; F447-I457 HydrophobicContact CD2-CG1 4.35Å; F447-I457 HydrophobicContact CE2-CB 4.27Å; F447-I457 HydrophobicContact CE2-CD1 3.88Å; F447-I457 HydrophobicContact CE2-CG1 4.13Å; L455-I457 HydrophobicContact CD2-CD1 4.04Å; L455-I457 HydrophobicContact CD2-CG1 4.09Å; L455-I457 HydrophobicContact CG-CG1 4.22Å; I457-L499 HydrophobicContact CD1-CD1 3.92Å; I457-L499 HydrophobicContact CD1-CD2 3.65Å; I457-L499 HydrophobicContact CD1-CG 4.38Å; I457-F572 HydrophobicContact CB-CE1 4.14Å; I457-F572 HydrophobicContact CB-CZ 3.94Å; I457-F572 HydrophobicContact CG2-CE1 4.06Å; I457-F572 HydrophobicContact CG2-CZ 3.87Å; I457-A574 HydrophobicContact CG2-CB 4.09Å; I457-F578 HydrophobicContact CG2-CB 4.09Å; I457-F578 HydrophobicContact CG2-CD2 3.77Å; I457-F578 HydrophobicContact CG2-CE2 4.33Å; I457-F578 HydrophobicContact CG2-CG 3.94Å
458	L	98.2	Very high	91	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	113.8	-178.9	-68.3	73.7	0	0	0	108.5	L440 A442 V444 M471 M475 M483 F578 V579 L581	L440-L458 HydrophobicContact CD1-CD2 3.72Å; A442-L458 HydrophobicContact CB-CB 4.44Å; V444-L458 HydrophobicContact CG1-CD1 4.46Å; V444-L458 HydrophobicContact CG1-CG 4.42Å; V444-L458 HydrophobicContact CG2-CG 4.19Å; L458-M471 HydrophobicContact CB-CE 3.87Å; L458-M471 HydrophobicContact CB-SD 4.05Å; L458-M475 HydrophobicContact CD2-CE 4.38Å; L458-M475 HydrophobicContact CD2-SD 4.24Å; L458-M483 HydrophobicContact CD1-CE 4.47Å; L458-F578 WeakPolarHBondContact O-CB 3.47Å; L458-V579 HydrophobicContact CB-CB 4.32Å; L458-V579 PolarHBondContact N-O 3.14Å; L458-V579 PolarHBondContact O-N 2.86Å; L458-L581 HydrophobicContact CD1-CB 4.36Å
459	L	95.9	Very high	91.1	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	126.6	174.4	-71.5	162.7	0	0	0	108.9	A442 Q443 F572 S573 A574 R576 F578	A442-L459 CarbonylContact C-O 3.59Å; A442-L459 WeakPolarHBondContact CA-O 3.42Å; Q443-L459 HydrophobicContact CB-CB 4.34Å; Q443-L459 PolarHBondContact N-O 2.97Å; Q443-L459 PolarHBondContact O-N 2.84Å; L459-F572 HydrophobicContact CD1-CD2 4.43Å; L459-F572 HydrophobicContact CD1-CE1 4.18Å; L459-F572 HydrophobicContact CD1-CE2 3.75Å; L459-F572 HydrophobicContact CD1-CZ 3.61Å; L459-F572 HydrophobicContact CG-CZ 4.29Å; L459-S573 WeakPolarHBondContact CD1-O 3.24Å; L459-A574 HydrophobicContact CD2-CB 4.46Å; L459-R576 HydrophobicContact CD2-CG 3.84Å; L459-F578 HydrophobicContact CD2-CB 3.78Å; L459-F578 HydrophobicContact CG-CB 4.46Å
460	P	92.9	Very high	91.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	154.1	172.2	27.4	-34.5	0	0	0	110	G462 D467 L468 M471 R576	P460-G462 PolarHBondContact O-N 3.29Å; P460-D467 HydrophobicContact CB-CB 4.12Å; P460-L468 HydrophobicContact CB-CB 4.48Å; P460-L468 HydrophobicContact CG-CB 4.27Å; P460-L468 HydrophobicContact CG-CD1 4.16Å; P460-M471 HydrophobicContact CB-CB 4.48Å; P460-M471 HydrophobicContact CB-SD 4.15Å; P460-R576 PolarHBondContact O-NH2 2.84Å
461	F	78.4	Confident	91.8	Very high	162 Å²	162	39 Å²	39	71%	0.711	21%	0.205	S	C	*	.	S	Bend	trans	-55.4	-49.7	-178.1	179.8	-100.4	0	0	0	112.8	Y436 K441 R576	Y436-F461 HydrophobicContact CE2-CD2 4.19Å; K441-F461 PolarHBondContact O-N 3.03Å; F461-R576 PolarHBondContact O-NH2 3.06Å
462	G	79.6	Confident	92.4	Very high	19 Å²	19	37.9 Å²	37.9	20%	0.196	19%	0.191	C	C	.	.	S	Bend	trans	-96.3	-165.8	176.6	0	0	0	0	0	114	P460 D467	P460-G462 PolarHBondContact O-N 3.29Å; G462-D467 VanDerWaalsContact C-OD2 3.3Å; G462-D467 WeakPolarHBondContact CA-OD2 3.39Å
463	N	81.3	Confident	92.7	Very high	65 Å²	65	38.7 Å²	38.7	35%	0.348	20%	0.196	S	C	.	.	S	Bend	trans	-124.3	31.2	-179.4	-164.3	45.2	0	0	0	112.3	F415 D467 R576	F415-N463 WeakPolarHBondContact CD1-O 3.27Å; N463-D467 PolarHBondContact N-OD2 2.96Å; N463-R576 WeakPolarHBondContact OD1-CB 3.2Å; N463-R576 WeakPolarHBondContact OD1-CD 3.49Å
464	K	88.9	Confident	93	Very high	142 Å²	142	43.3 Å²	43.3	62%	0.617	21%	0.213	S	C	*	.	S	Bend	trans	-111.1	153.5	174	-56.4	176.5	179.8	179.2	0	110.3	F415 S466 D467 L468	F415-K464 VanDerWaalsContact CE1-C 3.41Å; F415-K464 WeakPolarHBondContact CE1-O 2.99Å; K464-S466 WeakPolarHBondContact CB-OG 3.14Å; K464-S466 PolarHBondContact O-N 3.47Å; K464-D467 VanDerWaalsContact CB-OD2 3.31Å; K464-D467 WeakPolarHBondContact CB-OD2 3.41Å; K464-D467 PolarHBondContact N-OD2 2.89Å; K464-D467 WeakPolarHBondContact O-CB 3.2Å; K464-D467 PolarHBondContact O-N 2.99Å; K464-L468 PolarHBondContact O-N 2.88Å
465	L	91.3	Very high	93.1	Very high	50 Å²	50	43.8 Å²	43.8	26%	0.262	22%	0.215	S	C	.	.	H	α-helix	trans	-53.9	-38.5	172.4	-179	64.5	0	0	0	111.9	L261 F415 D467 L468 Q469	L261-L465 HydrophobicContact CD2-CD1 4.31Å; L261-L465 HydrophobicContact CD2-CD2 3.58Å; F415-L465 HydrophobicContact CD2-CB 4.04Å; F415-L465 HydrophobicContact CD2-CD1 3.81Å; F415-L465 HydrophobicContact CE2-CB 4.38Å; F415-L465 HydrophobicContact CE2-CD1 3.8Å; F415-L465 HydrophobicContact CG-CB 4.23Å; L465-D467 PolarHBondContact O-N 2.84Å; L465-L468 PolarHBondContact O-N 3.29Å; L465-Q469 HydrophobicContact CD1-CG 4.46Å; L465-Q469 HydrophobicContact CG-CG 4.35Å; L465-Q469 WeakPolarHBondContact O-CG 3.46Å; L465-Q469 PolarHBondContact O-N 3.04Å
466	S	93.5	Very high	93.2	Very high	52 Å²	52	46.5 Å²	46.5	36%	0.364	23%	0.232	S	C	.	.	H	α-helix	trans	-62.4	-25.9	176.1	58.6	0	0	0	0	114.6	K464 Q470	K464-S466 WeakPolarHBondContact CB-OG 3.14Å; K464-S466 PolarHBondContact O-N 3.47Å; S466-Q470 WeakPolarHBondContact O-CB 3.38Å; S466-Q470 WeakPolarHBondContact O-CG 3.33Å; S466-Q470 PolarHBondContact O-N 2.67Å; S466-Q470 PolarHBondContact O-NE2 3.35Å
467	D	92.1	Very high	93.1	Very high	39 Å²	39	48.4 Å²	48.4	21%	0.209	24%	0.242	C	C	.	.	H	α-helix	trans	-79.9	-36.5	178.2	-51.8	-37.6	0	0	0	109.9	P460 G462 N463 K464 L465 M471	P460-D467 HydrophobicContact CB-CB 4.12Å; G462-D467 VanDerWaalsContact C-OD2 3.3Å; G462-D467 WeakPolarHBondContact CA-OD2 3.39Å; N463-D467 PolarHBondContact N-OD2 2.96Å; K464-D467 VanDerWaalsContact CB-OD2 3.31Å; K464-D467 WeakPolarHBondContact CB-OD2 3.41Å; K464-D467 PolarHBondContact N-OD2 2.89Å; K464-D467 WeakPolarHBondContact O-CB 3.2Å; K464-D467 PolarHBondContact O-N 2.99Å; L465-D467 PolarHBondContact O-N 2.84Å; D467-M471 PolarHBondContact O-N 3.45Å
468	L	95.3	Very high	93	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-67.4	-49.3	172	-176.3	67.5	0	0	0	111.4	F415 P460 K464 L465 Q470 M471 E472 V579 R595 L597	F415-L468 HydrophobicContact CE2-CB 4.13Å; F415-L468 HydrophobicContact CE2-CD2 3.55Å; F415-L468 HydrophobicContact CE2-CG 4.48Å; F415-L468 HydrophobicContact CZ-CB 3.65Å; F415-L468 HydrophobicContact CZ-CD2 3.71Å; F415-L468 HydrophobicContact CZ-CG 4.27Å; P460-L468 HydrophobicContact CB-CB 4.48Å; P460-L468 HydrophobicContact CG-CB 4.27Å; P460-L468 HydrophobicContact CG-CD1 4.16Å; K464-L468 PolarHBondContact O-N 2.88Å; L465-L468 PolarHBondContact O-N 3.29Å; L468-Q470 VanDerWaalsContact C-N 3.3Å; L468-Q470 PolarHBondContact O-N 2.81Å; L468-M471 HydrophobicContact CD1-CE 3.68Å; L468-M471 CarbonylContact O-C 3.58Å; L468-M471 WeakPolarHBondContact O-CA 3.15Å; L468-M471 WeakPolarHBondContact O-CB 3.41Å; L468-M471 PolarHBondContact O-N 3.28Å; L468-E472 HydrophobicContact CD1-CG 4.28Å; L468-E472 HydrophobicContact CG-CG 4.11Å; L468-E472 WeakPolarHBondContact O-CG 3.34Å; L468-E472 PolarHBondContact O-N 2.83Å; L468-V579 HydrophobicContact CD1-CG2 4.04Å; L468-R595 HydrophobicContact CD2-CG 4.47Å; L468-L597 HydrophobicContact CD2-CD2 3.55Å
469	Q	95.2	Very high	93	Very high	80 Å²	80	51.1 Å²	51.1	37%	0.374	26%	0.261	S	S	.	.	H	α-helix	trans	-55.5	-45.6	178.1	-72.5	170.9	-41.2	0	0	111.5	L465 M471 E472 D473	L465-Q469 HydrophobicContact CD1-CG 4.46Å; L465-Q469 HydrophobicContact CG-CG 4.35Å; L465-Q469 WeakPolarHBondContact O-CG 3.46Å; L465-Q469 PolarHBondContact O-N 3.04Å; Q469-M471 VanDerWaalsContact C-N 3.32Å; Q469-M471 PolarHBondContact O-N 3.34Å; Q469-E472 PolarHBondContact O-N 3.32Å; Q469-D473 WeakPolarHBondContact O-CB 3.22Å; Q469-D473 VanDerWaalsContact O-CG 3.26Å; Q469-D473 PolarHBondContact O-N 2.89Å
470	Q	95.3	Very high	93.1	Very high	82 Å²	82	51.1 Å²	51.1	38%	0.383	26%	0.261	S	S	.	.	H	α-helix	trans	-58.4	-39.3	173.2	-83.3	176.4	78	0	0	113.6	S466 L468 R474	S466-Q470 WeakPolarHBondContact O-CB 3.38Å; S466-Q470 WeakPolarHBondContact O-CG 3.33Å; S466-Q470 PolarHBondContact O-N 2.67Å; S466-Q470 PolarHBondContact O-NE2 3.35Å; L468-Q470 VanDerWaalsContact C-N 3.3Å; L468-Q470 PolarHBondContact O-N 2.81Å; Q470-R474 WeakPolarHBondContact O-CD 3.41Å; Q470-R474 VanDerWaalsContact O-CG 3.26Å; Q470-R474 WeakPolarHBondContact O-CG 3.26Å; Q470-R474 PolarHBondContact O-N 2.78Å
471	M	97.3	Very high	93.3	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-67.4	-47.7	175.7	-176.1	-172.6	89.3	0	0	110.8	L440 A442 L458 P460 D467 L468 Q469 D473 R474 M475 V579	L440-M471 WeakPolarHBondContact O-CA 3.41Å; L440-M471 WeakPolarHBondContact O-CG 3.43Å; A442-M471 HydrophobicContact CB-CG 3.96Å; A442-M471 HydrophobicContact CB-SD 3.58Å; A442-M471 VanDerWaalsContact CB-SD 3.58Å; L458-M471 HydrophobicContact CB-CE 3.87Å; L458-M471 HydrophobicContact CB-SD 4.05Å; P460-M471 HydrophobicContact CB-CB 4.48Å; P460-M471 HydrophobicContact CB-SD 4.15Å; D467-M471 PolarHBondContact O-N 3.45Å; L468-M471 HydrophobicContact CD1-CE 3.68Å; L468-M471 CarbonylContact O-C 3.58Å; L468-M471 WeakPolarHBondContact O-CA 3.15Å; L468-M471 WeakPolarHBondContact O-CB 3.41Å; L468-M471 PolarHBondContact O-N 3.28Å; Q469-M471 VanDerWaalsContact C-N 3.32Å; Q469-M471 PolarHBondContact O-N 3.34Å; M471-D473 VanDerWaalsContact C-N 3.31Å; M471-D473 PolarHBondContact O-N 2.98Å; M471-R474 WeakPolarHBondContact O-CA 3.35Å; M471-R474 WeakPolarHBondContact O-CB 3.46Å; M471-R474 PolarHBondContact O-N 2.66Å; M471-M475 WeakPolarHBondContact O-CG 3.41Å; M471-M475 PolarHBondContact O-N 3.23Å; M471-V579 HydrophobicContact CE-CB 3.82Å; M471-V579 HydrophobicContact CE-CG2 3.4Å
472	E	97.3	Very high	94.2	Very high	11 Å²	11	52.3 Å²	52.3	5%	0.051	27%	0.266	C	S	.	.	H	α-helix	trans	-63.5	-32.8	178.3	-65.1	179.4	155.6	0	0	112.7	Y252 K256 L468 Q469 M475 V579 R595	Y252-E472 HydrophobicContact CE1-CB 4.16Å; Y252-E472 HydrophobicContact CE1-CG 4.07Å; Y252-E472 WeakPolarHBondContact OH-CG 3.41Å; Y252-E472 PolarHBondContact OH-OE1 2.91Å; K256-E472 HydrophobicContact CD-CB 3.81Å; K256-E472 HydrophobicContact CD-CG 4.5Å; K256-E472 PolarHBondContact NZ-O 2.84Å; L468-E472 HydrophobicContact CD1-CG 4.28Å; L468-E472 HydrophobicContact CG-CG 4.11Å; L468-E472 WeakPolarHBondContact O-CG 3.34Å; L468-E472 PolarHBondContact O-N 2.83Å; Q469-E472 PolarHBondContact O-N 3.32Å; E472-M475 PolarHBondContact O-N 2.99Å; E472-V579 HydrophobicContact CG-CG2 4.47Å; E472-R595 WeakPolarHBondContact OE1-CD 3.26Å; E472-R595 IonicContact OE1-CZ 2.75Å; E472-R595 IonicContact OE1-NE 3.61Å; E472-R595 IonicContact OE1-NH1 2.64Å; E472-R595 PolarHBondContact OE1-NH1 3.03Å; E472-R595 IonicContact OE2-NH1 2.64Å
473	D	96.6	Very high	95	Very high	105 Å²	105	51.6 Å²	51.6	56%	0.561	26%	0.257	S	S	*	.	H	α-helix	trans	-71.9	-20.5	175	-73.6	-28.6	0	0	0	112.1	K256 Q469 M471	K256-D473 VanDerWaalsContact NZ-N 3.15Å; K256-D473 IonicContact NZ-OD1 3.73Å; K256-D473 PolarHBondContact NZ-OD1 3.48Å; Q469-D473 WeakPolarHBondContact O-CB 3.22Å; Q469-D473 VanDerWaalsContact O-CG 3.26Å; Q469-D473 PolarHBondContact O-N 2.89Å; M471-D473 VanDerWaalsContact C-N 3.31Å; M471-D473 PolarHBondContact O-N 2.98Å
474	R	97.3	Very high	95.8	Very high	97 Å²	97	48.5 Å²	48.5	37%	0.366	24%	0.241	S	C	.	.	H	α-helix	trans	-91.4	-9.5	175.8	-71.6	165	169	-80.6	-13.6	113.4	D439 L440 Q470 M471 T476 N479	D439-R474 WeakPolarHBondContact O-CB 3.34Å; D439-R474 VanDerWaalsContact O-CD 3.24Å; D439-R474 WeakPolarHBondContact O-CD 3.32Å; D439-R474 PolarHBondContact O-NH1 2.94Å; L440-R474 HydrophobicContact CD2-CB 4.21Å; L440-R474 WeakPolarHBondContact CD2-O 3.3Å; Q470-R474 WeakPolarHBondContact O-CD 3.41Å; Q470-R474 VanDerWaalsContact O-CG 3.26Å; Q470-R474 WeakPolarHBondContact O-CG 3.26Å; Q470-R474 PolarHBondContact O-N 2.78Å; M471-R474 WeakPolarHBondContact O-CA 3.35Å; M471-R474 WeakPolarHBondContact O-CB 3.46Å; M471-R474 PolarHBondContact O-N 2.66Å; R474-T476 PolarHBondContact O-N 3.23Å; R474-N479 WeakPolarHBondContact O-CB 3.44Å; R474-N479 PolarHBondContact O-ND2 3Å
475	M	97.3	Very high	96.2	Very high	9 Å²	9	46.4 Å²	46.4	4%	0.044	23%	0.233	C	C	.	.			trans	-75.1	64.7	175.4	-70.5	-176.7	64.4	0	0	111.9	M249 Y252 L440 L458 M471 E472 V480 V579	M249-M475 WeakPolarHBondContact CB-O 3.38Å; M249-M475 WeakPolarHBondContact CG-O 3.48Å; M249-M475 HydrophobicContact SD-CB 4.24Å; M249-M475 HydrophobicContact SD-CE 4.17Å; Y252-M475 HydrophobicContact CE1-CE 4.29Å; Y252-M475 HydrophobicContact CE1-SD 3.9Å; L440-M475 HydrophobicContact CD2-CG 4.08Å; L458-M475 HydrophobicContact CD2-CE 4.38Å; L458-M475 HydrophobicContact CD2-SD 4.24Å; M471-M475 WeakPolarHBondContact O-CG 3.41Å; M471-M475 PolarHBondContact O-N 3.23Å; E472-M475 PolarHBondContact O-N 2.99Å; M475-V480 HydrophobicContact CB-CG2 4.19Å; M475-V480 HydrophobicContact CE-CG2 4.22Å; M475-V480 HydrophobicContact CG-CG2 4.36Å; M475-V579 HydrophobicContact CE-CG1 3.92Å; M475-V579 HydrophobicContact SD-CG1 3.99Å; M475-V579 HydrophobicContact SD-CG2 4.43Å
476	T	97.1	Very high	96.4	Very high	62 Å²	62	47.4 Å²	47.4	38%	0.38	24%	0.239	S	C	.	.			trans	-79.5	163.5	163.5	63	0	0	0	0	110	R474 G478 N479 V480	R474-T476 PolarHBondContact O-N 3.23Å; T476-G478 VanDerWaalsContact C-N 3.31Å; T476-G478 PolarHBondContact O-N 3.07Å; T476-N479 PolarHBondContact O-N 3.22Å; T476-N479 WeakPolarHBondContact OG1-CB 3.28Å; T476-N479 PolarHBondContact OG1-N 3.4Å; T476-N479 PolarHBondContact OG1-ND2 3.14Å; T476-V480 WeakPolarHBondContact O-CB 3.48Å; T476-V480 WeakPolarHBondContact O-CG2 3.4Å; T476-V480 PolarHBondContact O-N 2.97Å
477	D	96.1	Very high	96.6	Very high	40 Å²	40	45 Å²	45	21%	0.214	22%	0.221	C	C	.	.	H	α-helix	trans	-58.8	-44.2	177.7	74.9	-64.3	0	0	0	111.4	T245 E246 V480 R481	T245-D477 HydrophobicContact CG2-CB 4.13Å; E246-D477 HydrophobicContact CB-CB 4.14Å; D477-V480 PolarHBondContact O-N 3.07Å; D477-R481 WeakPolarHBondContact O-CB 3.38Å; D477-R481 VanDerWaalsContact O-CG 3.32Å; D477-R481 WeakPolarHBondContact O-CG 3.47Å; D477-R481 PolarHBondContact O-N 2.71Å; D477-R481 IonicContact OD2-CZ 3.34Å; D477-R481 IonicContact OD2-NE 2.89Å; D477-R481 PolarHBondContact OD2-NE 3.22Å; D477-R481 IonicContact OD2-NH2 2.64Å; D477-R481 PolarHBondContact OD2-NH2 3.19Å
478	G	96.7	Very high	96.7	Very high	19 Å²	19	45.7 Å²	45.7	20%	0.196	22%	0.223	C	C	.	.	H	α-helix	trans	-63.3	-46.7	-179.9	0	0	0	0	0	111.7	T476 V480 R481 Q482	T476-G478 VanDerWaalsContact C-N 3.31Å; T476-G478 PolarHBondContact O-N 3.07Å; G478-V480 VanDerWaalsContact C-N 3.34Å; G478-V480 PolarHBondContact O-N 2.85Å; G478-R481 PolarHBondContact O-N 3.41Å; G478-Q482 WeakPolarHBondContact O-CB 3.41Å; G478-Q482 WeakPolarHBondContact O-CG 3.36Å; G478-Q482 PolarHBondContact O-N 3.35Å
479	N	97.8	Very high	96.7	Very high	38 Å²	38	49.6 Å²	49.6	20%	0.203	26%	0.255	C	S	.	.	H	α-helix	trans	-68	-34.8	179.4	-66.5	-4.9	0	0	0	111.9	L440 R474 T476 M483	L440-N479 HydrophobicContact CD2-CB 3.69Å; R474-N479 WeakPolarHBondContact O-CB 3.44Å; R474-N479 PolarHBondContact O-ND2 3Å; T476-N479 PolarHBondContact O-N 3.22Å; T476-N479 WeakPolarHBondContact OG1-CB 3.28Å; T476-N479 PolarHBondContact OG1-N 3.4Å; T476-N479 PolarHBondContact OG1-ND2 3.14Å; N479-M483 VanDerWaalsContact O-CB 3.3Å; N479-M483 WeakPolarHBondContact O-CB 3.42Å; N479-M483 PolarHBondContact O-N 2.75Å
480	V	98.1	Very high	96.7	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-69.8	-45.1	174.8	169.3	0	0	0	0	110.9	M249 M475 T476 D477 G478 Q482 M483 I484 L581 W583	M249-V480 HydrophobicContact CE-CB 4.4Å; M249-V480 HydrophobicContact CE-CG1 4.1Å; M249-V480 HydrophobicContact CE-CG2 4.17Å; M249-V480 HydrophobicContact SD-CB 4.48Å; M249-V480 HydrophobicContact SD-CG2 3.79Å; M475-V480 HydrophobicContact CB-CG2 4.19Å; M475-V480 HydrophobicContact CE-CG2 4.22Å; M475-V480 HydrophobicContact CG-CG2 4.36Å; T476-V480 WeakPolarHBondContact O-CB 3.48Å; T476-V480 WeakPolarHBondContact O-CG2 3.4Å; T476-V480 PolarHBondContact O-N 2.97Å; D477-V480 PolarHBondContact O-N 3.07Å; G478-V480 VanDerWaalsContact C-N 3.34Å; G478-V480 PolarHBondContact O-N 2.85Å; V480-Q482 PolarHBondContact O-N 2.88Å; V480-M483 HydrophobicContact CG1-CE 4.25Å; V480-M483 WeakPolarHBondContact O-CB 3.4Å; V480-M483 PolarHBondContact O-N 3.48Å; V480-I484 HydrophobicContact CG1-CG1 4.44Å; V480-I484 WeakPolarHBondContact O-CG1 3.19Å; V480-I484 PolarHBondContact O-N 3.49Å; V480-L581 HydrophobicContact CG1-CD2 3.77Å; V480-W583 HydrophobicContact CG1-CZ3 4.37Å
481	R	96.7	Very high	96.7	Very high	75 Å²	75	49.2 Å²	49.2	28%	0.283	26%	0.263	S	S	.	.	H	α-helix	trans	-60.9	-44.6	175	-71.5	-174.8	-68.7	145.2	-17.8	112	E242 T245 D477 G478 M483 I484 E485	E242-R481 IonicContact OE1-CZ 3.42Å; E242-R481 IonicContact OE1-NH1 2.73Å; E242-R481 PolarHBondContact OE1-NH1 2.86Å; E242-R481 IonicContact OE1-NH2 3.54Å; T245-R481 HydrophobicContact CG2-CG 4.04Å; D477-R481 WeakPolarHBondContact O-CB 3.38Å; D477-R481 VanDerWaalsContact O-CG 3.32Å; D477-R481 WeakPolarHBondContact O-CG 3.47Å; D477-R481 PolarHBondContact O-N 2.71Å; D477-R481 IonicContact OD2-CZ 3.34Å; D477-R481 IonicContact OD2-NE 2.89Å; D477-R481 PolarHBondContact OD2-NE 3.22Å; D477-R481 IonicContact OD2-NH2 2.64Å; D477-R481 PolarHBondContact OD2-NH2 3.19Å; G478-R481 PolarHBondContact O-N 3.41Å; R481-M483 VanDerWaalsContact C-N 3.33Å; R481-M483 PolarHBondContact O-N 3.42Å; R481-I484 PolarHBondContact O-N 2.97Å; R481-E485 PolarHBondContact O-N 3.21Å
482	Q	97.1	Very high	96.5	Very high	111 Å²	111	53 Å²	53	52%	0.519	29%	0.288	S	S	.	.	H	α-helix	trans	-60.2	-40.4	174	-73.4	171.3	5.1	0	0	112.3	G478 V480 E485 L486	G478-Q482 WeakPolarHBondContact O-CB 3.41Å; G478-Q482 WeakPolarHBondContact O-CG 3.36Å; G478-Q482 PolarHBondContact O-N 3.35Å; V480-Q482 PolarHBondContact O-N 2.88Å; Q482-E485 PolarHBondContact O-N 2.96Å; Q482-L486 WeakPolarHBondContact O-CB 3.27Å; Q482-L486 PolarHBondContact O-N 3.44Å
483	M	97.9	Very high	96.3	Very high	4 Å²	4	56.3 Å²	56.3	2%	0.02	30%	0.303	C	S	.	.	H	α-helix	trans	-63.6	-44.5	173.6	175.9	-78.7	-60.3	0	0	111.9	A437 L440 V444 Y456 L458 N479 V480 R481 E485 L486 V487 L581	A437-M483 HydrophobicContact CB-CB 4.39Å; A437-M483 HydrophobicContact CB-CG 3.9Å; L440-M483 HydrophobicContact CD1-CB 3.81Å; L440-M483 HydrophobicContact CD1-CG 3.8Å; V444-M483 HydrophobicContact CG1-SD 3.79Å; V444-M483 HydrophobicContact CG2-CG 4.01Å; V444-M483 HydrophobicContact CG2-SD 4.36Å; Y456-M483 HydrophobicContact CD1-SD 3.96Å; Y456-M483 HydrophobicContact CE1-SD 4.44Å; L458-M483 HydrophobicContact CD1-CE 4.47Å; N479-M483 VanDerWaalsContact O-CB 3.3Å; N479-M483 WeakPolarHBondContact O-CB 3.42Å; N479-M483 PolarHBondContact O-N 2.75Å; V480-M483 HydrophobicContact CG1-CE 4.25Å; V480-M483 WeakPolarHBondContact O-CB 3.4Å; V480-M483 PolarHBondContact O-N 3.48Å; R481-M483 VanDerWaalsContact C-N 3.33Å; R481-M483 PolarHBondContact O-N 3.42Å; M483-E485 PolarHBondContact O-N 3.19Å; M483-L486 PolarHBondContact O-N 2.9Å; M483-V487 HydrophobicContact CG-CG2 4.3Å; M483-V487 WeakPolarHBondContact O-CB 3.49Å; M483-V487 WeakPolarHBondContact O-CG2 3.4Å; M483-V487 PolarHBondContact O-N 3.5Å; M483-V487 HydrophobicContact SD-CG2 3.98Å; M483-L581 HydrophobicContact CE-CD2 3.95Å
484	I	97.5	Very high	96.1	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.005	29%	0.287	C	S	.	.	H	α-helix	trans	-58.2	-49.3	176.8	-68.6	-66.3	0	0	0	110.2	Y456 V480 R481 V487 K488 L581 W583	Y456-I484 HydrophobicContact CD1-CD1 4Å; Y456-I484 HydrophobicContact CD2-CD1 3.72Å; Y456-I484 HydrophobicContact CE1-CD1 3.7Å; Y456-I484 HydrophobicContact CE2-CD1 3.42Å; Y456-I484 VanDerWaalsContact CE2-CD1 3.42Å; Y456-I484 HydrophobicContact CG-CD1 4.01Å; Y456-I484 VanDerWaalsContact CZ-CD1 3.41Å; V480-I484 HydrophobicContact CG1-CG1 4.44Å; V480-I484 WeakPolarHBondContact O-CG1 3.19Å; V480-I484 PolarHBondContact O-N 3.49Å; R481-I484 PolarHBondContact O-N 2.97Å; I484-V487 PolarHBondContact O-N 2.99Å; I484-K488 HydrophobicContact CG2-CD 3.86Å; I484-K488 HydrophobicContact CG2-CG 4.31Å; I484-K488 WeakPolarHBondContact O-CB 3.43Å; I484-K488 VanDerWaalsContact O-CG 3.29Å; I484-K488 WeakPolarHBondContact O-CG 3.35Å; I484-K488 PolarHBondContact O-N 2.65Å; I484-L581 HydrophobicContact CD1-CD2 4.07Å; I484-W583 HydrophobicContact CD1-CB 4.39Å; I484-W583 HydrophobicContact CD1-CD2 3.87Å; I484-W583 HydrophobicContact CD1-CE3 4.02Å; I484-W583 HydrophobicContact CD1-CG 4.05Å; I484-W583 HydrophobicContact CG1-CD2 4.09Å; I484-W583 HydrophobicContact CG1-CE3 4.11Å; I484-W583 HydrophobicContact CG1-CH2 4.38Å; I484-W583 HydrophobicContact CG1-CZ2 4.34Å; I484-W583 HydrophobicContact CG1-CZ3 4.25Å; I484-W583 HydrophobicContact CG2-CZ2 4.38Å
485	E	96.2	Very high	95.8	Very high	98 Å²	98	48.8 Å²	48.8	46%	0.458	27%	0.27	S	S	.	.	H	α-helix	trans	-65.2	-44.7	179.4	-68.8	-53.7	110.9	0	0	112.8	R481 Q482 M483 V487 K488 A489	R481-E485 PolarHBondContact O-N 3.21Å; Q482-E485 PolarHBondContact O-N 2.96Å; M483-E485 PolarHBondContact O-N 3.19Å; E485-V487 VanDerWaalsContact C-N 3.28Å; E485-V487 PolarHBondContact O-N 2.93Å; E485-K488 PolarHBondContact O-N 3.06Å; E485-K488 VanDerWaalsContact OE1-CD 3.29Å; E485-K488 WeakPolarHBondContact OE1-CD 3.38Å; E485-K488 IonicContact OE1-NZ 2.74Å; E485-K488 PolarHBondContact OE1-NZ 3.26Å; E485-A489 WeakPolarHBondContact O-CB 3.49Å; E485-A489 PolarHBondContact O-N 2.9Å
486	L	97	Very high	95.5	Very high	71 Å²	71	51.4 Å²	51.4	37%	0.372	28%	0.282	S	S	.	.	H	α-helix	trans	-55	-44.2	174.4	175.4	66.2	0	0	0	111.8	T435 Q482 M483 I490	T435-L486 HydrophobicContact CG2-CD2 4.45Å; Q482-L486 WeakPolarHBondContact O-CB 3.27Å; Q482-L486 PolarHBondContact O-N 3.44Å; M483-L486 PolarHBondContact O-N 2.9Å; L486-I490 WeakPolarHBondContact O-CD1 3.17Å; L486-I490 WeakPolarHBondContact O-CG1 3.34Å
487	V	95.9	Very high	95.4	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-79.5	-30.3	-177.8	-178.5	0	0	0	0	111.7	T433 T435 V444 R446 Y456 M483 I484 E485	T433-V487 HydrophobicContact CG2-CG1 3.95Å; T435-V487 HydrophobicContact CG2-CG2 3.65Å; V444-V487 HydrophobicContact CB-CG2 4.29Å; V444-V487 HydrophobicContact CG1-CG2 4.14Å; R446-V487 HydrophobicContact CB-CG1 3.47Å; R446-V487 VanDerWaalsContact CB-CG1 3.47Å; R446-V487 HydrophobicContact CG-CG1 4.28Å; Y456-V487 HydrophobicContact CD1-CG1 4.23Å; Y456-V487 HydrophobicContact CE1-CB 4Å; Y456-V487 HydrophobicContact CE1-CG1 3.77Å; M483-V487 HydrophobicContact CG-CG2 4.3Å; M483-V487 WeakPolarHBondContact O-CB 3.49Å; M483-V487 WeakPolarHBondContact O-CG2 3.4Å; M483-V487 PolarHBondContact O-N 3.5Å; M483-V487 HydrophobicContact SD-CG2 3.98Å; I484-V487 PolarHBondContact O-N 2.99Å; E485-V487 VanDerWaalsContact C-N 3.28Å; E485-V487 PolarHBondContact O-N 2.93Å
488	K	95	Very high	95.2	Very high	55 Å²	55	47.3 Å²	47.3	24%	0.239	26%	0.259	C	S	.	.	H	α-helix	trans	-65.8	-37.4	172.2	-80.4	173.3	-177.2	167.5	0	112.3	I484 E485 I490 D588	I484-K488 HydrophobicContact CG2-CD 3.86Å; I484-K488 HydrophobicContact CG2-CG 4.31Å; I484-K488 WeakPolarHBondContact O-CB 3.43Å; I484-K488 VanDerWaalsContact O-CG 3.29Å; I484-K488 WeakPolarHBondContact O-CG 3.35Å; I484-K488 PolarHBondContact O-N 2.65Å; E485-K488 PolarHBondContact O-N 3.06Å; E485-K488 VanDerWaalsContact OE1-CD 3.29Å; E485-K488 WeakPolarHBondContact OE1-CD 3.38Å; E485-K488 IonicContact OE1-NZ 2.74Å; E485-K488 PolarHBondContact OE1-NZ 3.26Å; K488-I490 VanDerWaalsContact C-N 3.26Å; K488-I490 PolarHBondContact O-N 3.08Å; K488-D588 IonicContact NZ-OD1 3.7Å; K488-D588 PolarHBondContact NZ-OD1 3.38Å; K488-D588 IonicContact NZ-OD2 3.99Å
489	A	95.8	Very high	95.1	Very high	83 Å²	83	46.4 Å²	46.4	69%	0.686	25%	0.249	S	C	*	.	S	Bend	trans	-68.6	-19.3	-178.8	0	0	0	0	0	114.3	E485	E485-A489 WeakPolarHBondContact O-CB 3.49Å; E485-A489 PolarHBondContact O-N 2.9Å
490	I	95.6	Very high	94.9	Very high	52 Å²	52	44.6 Å²	44.6	27%	0.267	24%	0.24	S	C	.	.	S	Bend	trans	-92.5	121.7	-177.2	-60.3	165	0	0	0	110.2	T433 T435 L486 K488	T433-I490 HydrophobicContact CG2-CB 3.66Å; T433-I490 HydrophobicContact CG2-CG2 3.71Å; T433-I490 PolarHBondContact OG1-O 3.44Å; T435-I490 HydrophobicContact CG2-CD1 4.01Å; L486-I490 WeakPolarHBondContact O-CD1 3.17Å; L486-I490 WeakPolarHBondContact O-CG1 3.34Å; K488-I490 VanDerWaalsContact C-N 3.26Å; K488-I490 PolarHBondContact O-N 3.08Å
491	P	94.3	Very high	94.5	Very high	102 Å²	102	47.7 Å²	47.7	66%	0.662	25%	0.254	S	S	*	.	P	Polyproline II helix	trans	-64.9	144.1	-179.3	26.9	-34.6	0	0	0	111.8
492	P	93.9	Very high	93.8	Very high	79 Å²	79	44.4 Å²	44.4	51%	0.513	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-59.9	142	177.4	-24.7	34.5	0	0	0	112.9
493	Q	92.2	Very high	93.3	Very high	82 Å²	82	45.9 Å²	45.9	38%	0.383	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	166.6	177.5	62.1	177.8	-16.5	0	0	111.5	M431 A432 L495	M431-Q493 WeakPolarHBondContact CA-O 3.43Å; M431-Q493 VanDerWaalsContact SD-C 3.57Å; A432-Q493 PolarHBondContact N-O 3.21Å; A432-Q493 PolarHBondContact O-N 2.96Å; A432-Q493 VanDerWaalsContact O-O 3.06Å; Q493-L495 HydrophobicContact CG-CD2 3.88Å; Q493-L495 HydrophobicContact CG-CG 4.19Å; Q493-L495 PolarHBondContact O-N 2.77Å
494	N	92.3	Very high	92.6	Very high	42 Å²	42	45.9 Å²	45.9	23%	0.225	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	122.3	173.1	-65.4	-79.7	0	0	0	109.6	K429 Y430 M431 F569	K429-N494 WeakPolarHBondContact CE-OD1 3.41Å; K429-N494 HydrophobicContact CG-CB 4.06Å; K429-N494 WeakPolarHBondContact CG-OD1 3.3Å; Y430-N494 CarbonylContact O-C 3.55Å; Y430-N494 WeakPolarHBondContact O-CA 3.33Å; M431-N494 WeakPolarHBondContact CE-ND2 3.45Å; M431-N494 WeakPolarHBondContact CE-OD1 3.13Å; N494-F569 HydrophobicContact CB-CD1 3.35Å; N494-F569 HydrophobicContact CB-CE1 3.36Å; N494-F569 HydrophobicContact CB-CG 4.01Å; N494-F569 HydrophobicContact CB-CZ 4.03Å
495	L	91.9	Very high	91.9	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.005	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	150.5	176.7	-61	179.8	0	0	0	110.5	Y430 A432 M434 Q493 V497 P570	Y430-L495 PolarHBondContact N-O 3.03Å; Y430-L495 PolarHBondContact O-N 2.84Å; A432-L495 HydrophobicContact CB-CD1 3.98Å; M434-L495 HydrophobicContact CB-CD1 3.62Å; M434-L495 HydrophobicContact CB-CD2 4.46Å; M434-L495 HydrophobicContact CE-CD2 4.28Å; Q493-L495 HydrophobicContact CG-CD2 3.88Å; Q493-L495 HydrophobicContact CG-CG 4.19Å; Q493-L495 PolarHBondContact O-N 2.77Å; L495-V497 HydrophobicContact CB-CG2 3.77Å; L495-P570 CarbonylContact C-O 3.59Å; L495-P570 VanDerWaalsContact CA-O 3.28Å; L495-P570 WeakPolarHBondContact CA-O 3.5Å; L495-P570 HydrophobicContact CD2-CB 3.8Å; L495-P570 HydrophobicContact CD2-CG 4.17Å; L495-P570 WeakPolarHBondContact CD2-O 3.44Å
496	E	91.4	Very high	91.2	Very high	64 Å²	64	46.5 Å²	46.5	30%	0.299	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	114.4	158.4	175.7	166.2	-144.3	0	0	108.4	Y426 P570 T571 F572	Y426-E496 HydrophobicContact CE2-CG 4.04Å; Y426-E496 VanDerWaalsContact CE2-OE1 3.29Å; Y426-E496 WeakPolarHBondContact CE2-OE1 3.33Å; Y426-E496 VanDerWaalsContact CZ-OE1 3.3Å; Y426-E496 PolarHBondContact OH-OE1 3.14Å; E496-P570 PolarHBondContact N-O 2.94Å; E496-T571 HydrophobicContact CB-CG2 4.33Å; E496-T571 HydrophobicContact CG-CG2 4.23Å; E496-T571 CarbonylContact O-C 3.56Å; E496-T571 VanDerWaalsContact O-CA 3.28Å; E496-T571 WeakPolarHBondContact O-CA 3.16Å; E496-F572 PolarHBondContact O-N 2.55Å
497	V	93.9	Very high	90.7	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	130.3	-173.8	178.4	0	0	0	0	110.4	F403 Y426 N427 Y430 F447 L495 L499 F572	F403-V497 HydrophobicContact CE1-CB 3.97Å; F403-V497 HydrophobicContact CE1-CG1 3.64Å; F403-V497 HydrophobicContact CZ-CG1 3.95Å; Y426-V497 WeakPolarHBondContact CA-O 3.37Å; N427-V497 PolarHBondContact N-O 2.03Å; N427-V497 PolarHBondContact O-N 3.33Å; Y430-V497 HydrophobicContact CD1-CG2 4.24Å; Y430-V497 HydrophobicContact CG-CG2 4.18Å; F447-V497 HydrophobicContact CE1-CB 4.5Å; F447-V497 HydrophobicContact CE1-CG1 3.65Å; F447-V497 HydrophobicContact CE1-CG2 4.01Å; F447-V497 HydrophobicContact CZ-CG1 4.06Å; L495-V497 HydrophobicContact CB-CG2 3.77Å; V497-L499 HydrophobicContact CG1-CD1 4.34Å; V497-L499 HydrophobicContact CG1-CD2 4.14Å; V497-L499 HydrophobicContact CG1-CG 3.88Å; V497-F572 WeakPolarHBondContact CA-O 3.28Å
498	T	93.1	Very high	90.2	Very high	16 Å²	16	47.4 Å²	47.4	10%	0.098	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	113.8	171.3	-53.3	0	0	0	0	110.1	L424 Y426 F572 S573 A574 L575	L424-T498 HydrophobicContact CD1-CG2 3.86Å; L424-T498 HydrophobicContact CD2-CG2 3.92Å; L424-T498 HydrophobicContact CG-CG2 4.35Å; Y426-T498 WeakPolarHBondContact CD2-OG1 3.47Å; T498-F572 PolarHBondContact N-O 3.37Å; T498-S573 WeakPolarHBondContact O-CA 3.33Å; T498-A574 PolarHBondContact O-N 3.04Å; T498-L575 HydrophobicContact CG2-CD1 3.79Å; T498-L575 HydrophobicContact CG2-CD2 4.35Å; T498-L575 HydrophobicContact CG2-CG 4.14Å
499	L	94.6	Very high	89.9	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	148.4	174.3	-50.3	177.1	0	0	0	109.3	W399 F403 L424 I425 F447 I457 V497 F572 A574	W399-L499 HydrophobicContact CH2-CD1 4.3Å; F403-L499 HydrophobicContact CZ-CD1 4.25Å; L424-L499 WeakPolarHBondContact CA-O 3.21Å; I425-L499 HydrophobicContact CB-CB 4.24Å; I425-L499 PolarHBondContact N-O 3.42Å; I425-L499 PolarHBondContact O-N 2.97Å; F447-L499 HydrophobicContact CE2-CD1 4.47Å; F447-L499 HydrophobicContact CE2-CD2 4.44Å; F447-L499 HydrophobicContact CZ-CD1 4.41Å; F447-L499 HydrophobicContact CZ-CD2 4.21Å; I457-L499 HydrophobicContact CD1-CD1 3.92Å; I457-L499 HydrophobicContact CD1-CD2 3.65Å; I457-L499 HydrophobicContact CD1-CG 4.38Å; V497-L499 HydrophobicContact CG1-CD1 4.34Å; V497-L499 HydrophobicContact CG1-CD2 4.14Å; V497-L499 HydrophobicContact CG1-CG 3.88Å; L499-F572 HydrophobicContact CD2-CD1 4.03Å; L499-F572 HydrophobicContact CD2-CE1 3.88Å; L499-A574 HydrophobicContact CD2-CB 3.64Å
500	P	92.8	Very high	89.7	Confident	1 Å²	1	45.8 Å²	45.8	1%	0.006	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	147.1	165.9	28.3	-29.3	0	0	0	109.7	F412 V422 V502 A574 L575 F578	F412-P500 HydrophobicContact CD2-CG 4.3Å; F412-P500 HydrophobicContact CE2-CG 4.42Å; V422-P500 HydrophobicContact CG2-CB 4.15Å; P500-V502 HydrophobicContact CB-CG2 4.21Å; P500-V502 HydrophobicContact CG-CG2 3.85Å; P500-A574 VanDerWaalsContact CD-O 3.32Å; P500-A574 WeakPolarHBondContact CD-O 3.45Å; P500-L575 HydrophobicContact CB-CD2 4.3Å; P500-F578 HydrophobicContact CG-CE1 3.82Å; P500-F578 HydrophobicContact CG-CZ 4.25Å
501	Q	89.6	Confident	89.4	Confident	65 Å²	65	47.5 Å²	47.5	30%	0.304	25%	0.246	S	C	.	.			trans	-64.1	135.7	153.8	-74.2	-173.3	0.9	0	0	107.7	P423 I425 E552	P423-Q501 HydrophobicContact CB-CB 4.06Å; P423-Q501 HydrophobicContact CB-CG 3.9Å; P423-Q501 HydrophobicContact CG-CB 4.48Å; P423-Q501 PolarHBondContact O-N 2.85Å; I425-Q501 HydrophobicContact CD1-CG 4.41Å; I425-Q501 HydrophobicContact CG1-CG 3.92Å; Q501-E552 VanDerWaalsContact NE2-CD 3.26Å; Q501-E552 PolarHBondContact NE2-OE1 3.38Å; Q501-E552 PolarHBondContact NE2-OE2 2.94Å
502	V	82.5	Confident	89.2	Confident	6 Å²	6	45.1 Å²	45.1	4%	0.036	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	140.3	-176.2	170.8	0	0	0	0	108.6	P500 L504 A549 L550 F578 M596	P500-V502 HydrophobicContact CB-CG2 4.21Å; P500-V502 HydrophobicContact CG-CG2 3.85Å; V502-L504 HydrophobicContact CG1-CD1 4.05Å; V502-L504 HydrophobicContact CG1-CG 3.73Å; V502-A549 CarbonylContact O-C 3.52Å; V502-A549 WeakPolarHBondContact O-CA 3.32Å; V502-L550 HydrophobicContact CB-CB 4.26Å; V502-L550 HydrophobicContact CB-CD1 4.12Å; V502-L550 HydrophobicContact CB-CG 4.18Å; V502-L550 HydrophobicContact CG2-CD1 4.21Å; V502-L550 PolarHBondContact N-O 2.84Å; V502-L550 PolarHBondContact O-N 2.83Å; V502-F578 HydrophobicContact CG2-CZ 4.24Å; V502-M596 HydrophobicContact CB-SD 4.15Å; V502-M596 HydrophobicContact CG1-SD 3.46Å; V502-M596 WeakPolarHBondContact CG1-SD 3.4Å; V502-M596 HydrophobicContact CG2-CG 4.5Å; V502-M596 HydrophobicContact CG2-SD 3.57Å; V502-M596 VanDerWaalsContact CG2-SD 3.57Å
503	K	85.6	Confident	89.1	Confident	142 Å²	142	41.4 Å²	41.4	62%	0.617	20%	0.203	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-134.1	102.1	168.1	-175.8	-168	175.1	-165.6	0	108.5	F547	K503-F547 HydrophobicContact CD-CE2 4.39Å; K503-F547 HydrophobicContact CG-CE2 3.95Å; K503-F547 HydrophobicContact CG-CZ 4.13Å
504	L	83.8	Confident	89.1	Confident	4 Å²	4	37.6 Å²	37.6	2%	0.021	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	123.4	176	-72.1	171.2	0	0	0	109.6	N263 L265 V502 L548 L580 M596	N263-L504 HydrophobicContact CB-CD2 3.83Å; L265-L504 HydrophobicContact CB-CB 4.13Å; L265-L504 HydrophobicContact CB-CD1 4.42Å; L265-L504 HydrophobicContact CD1-CD1 4.28Å; L265-L504 HydrophobicContact CD2-CB 3.73Å; L265-L504 WeakPolarHBondContact CD2-O 3.39Å; L265-L504 HydrophobicContact CG-CB 4.33Å; V502-L504 HydrophobicContact CG1-CD1 4.05Å; V502-L504 HydrophobicContact CG1-CG 3.73Å; L504-L548 PolarHBondContact N-O 2.86Å; L504-L548 PolarHBondContact O-N 3.16Å; L504-L580 HydrophobicContact CD1-CD2 3.94Å; L504-M596 HydrophobicContact CD2-CE 3.82Å; L504-M596 HydrophobicContact CD2-SD 4.46Å
505	D	82	Confident	89	Confident	77 Å²	77	39.4 Å²	39.4	41%	0.412	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	98.5	174.4	-175.4	-2.4	0	0	0	105.7	K545 F547	D505-K545 WeakPolarHBondContact OD1-CE 3.37Å; D505-K545 IonicContact OD1-NZ 3.9Å; D505-F547 HydrophobicContact CB-CD2 4.35Å
506	V	82.3	Confident	88.9	Confident	34 Å²	34	44.2 Å²	44.2	21%	0.206	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	134.5	-170.9	-173.8	0	0	0	0	109.1	L265 A546	L265-V506 HydrophobicContact CB-CB 4.01Å; L265-V506 HydrophobicContact CB-CG2 3.9Å; V506-A546 PolarHBondContact O-N 3.2Å
507	E	86.4	Confident	88.8	Confident	74 Å²	74	41.9 Å²	41.9	35%	0.346	20%	0.202	S	C	.	.			trans	-115.3	93.6	176	-174.1	178.2	149.8	0	0	108.5	K543 K545	E507-K543 IonicContact OE1-NZ 2.73Å; E507-K543 PolarHBondContact OE1-NZ 3.35Å; E507-K545 IonicContact OE2-NZ 2.64Å
508	P	86.4	Confident	88.6	Confident	16 Å²	16	44.2 Å²	44.2	10%	0.104	23%	0.226	C	C	.	.			trans	-66.1	144.8	175.7	26.9	-34.6	0	0	0	111.2	L255 F266 M510 H544	L255-P508 HydrophobicContact CD2-CB 3.8Å; F266-P508 HydrophobicContact CB-CG 4.47Å; P508-M510 VanDerWaalsContact C-N 3.34Å; P508-M510 HydrophobicContact CG-SD 4.33Å; P508-M510 PolarHBondContact O-N 2.83Å; P508-H544 HydrophobicContact CG-CB 4.43Å
509	N	87.8	Confident	88.6	Confident	95 Å²	95	43.5 Å²	43.5	51%	0.508	22%	0.221	S	C	.	.			trans	-69.6	90	174.1	-178.1	-19.6	0	0	0	110.6	K511 M512 L513	N509-K511 VanDerWaalsContact C-N 3.35Å; N509-K511 PolarHBondContact O-N 2.93Å; N509-K511 PolarHBondContact OD1-N 2.95Å; N509-M512 HydrophobicContact CB-CB 4.23Å; N509-M512 HydrophobicContact CB-CE 4.2Å; N509-M512 PolarHBondContact O-N 2.89Å; N509-M512 WeakPolarHBondContact OD1-CB 3.44Å; N509-M512 PolarHBondContact OD1-N 3.46Å; N509-L513 WeakPolarHBondContact O-CB 3.3Å; N509-L513 PolarHBondContact O-N 3.41Å
510	M	91.1	Very high	88.4	Confident	10 Å²	10	45.3 Å²	45.3	5%	0.049	23%	0.234	C	C	.	.	H	α-helix	trans	-64.3	-34.7	-177.6	-72.9	-57.4	-59.1	0	0	113.2	I271 P508 M512 L513 L514 A542 H544	I271-M510 HydrophobicContact CD1-CE 4.11Å; I271-M510 HydrophobicContact CD1-SD 3.94Å; I271-M510 HydrophobicContact CG1-CE 4.24Å; I271-M510 HydrophobicContact CG1-SD 4.49Å; I271-M510 HydrophobicContact CG2-CE 3.73Å; P508-M510 VanDerWaalsContact C-N 3.34Å; P508-M510 HydrophobicContact CG-SD 4.33Å; P508-M510 PolarHBondContact O-N 2.83Å; M510-M512 PolarHBondContact O-N 3.22Å; M510-L513 HydrophobicContact CE-CD2 4.38Å; M510-L513 PolarHBondContact O-N 2.87Å; M510-L513 HydrophobicContact SD-CD2 3.83Å; M510-L514 HydrophobicContact CE-CD2 4.33Å; M510-L514 HydrophobicContact CE-CG 4.31Å; M510-L514 WeakPolarHBondContact O-CB 3.27Å; M510-L514 WeakPolarHBondContact O-CG 3.28Å; M510-L514 PolarHBondContact O-N 2.98Å; M510-A542 HydrophobicContact CB-CB 4.01Å; M510-A542 VanDerWaalsContact CB-O 3.3Å; M510-A542 WeakPolarHBondContact CB-O 3.4Å; M510-H544 HydrophobicContact CE-CB 4.46Å; M510-H544 HydrophobicContact CG-CB 3.46Å; M510-H544 VanDerWaalsContact CG-CB 3.46Å; M510-H544 HydrophobicContact SD-CB 3.51Å; M510-H544 VanDerWaalsContact SD-CB 3.51Å
511	K	89.2	Confident	88.1	Confident	87 Å²	87	47.2 Å²	47.2	38%	0.378	25%	0.247	S	C	.	.	H	α-helix	trans	-60.6	-45.7	177.7	-174	157.8	-168.8	156.2	0	111.3	N509 K515 F523 D540	N509-K511 VanDerWaalsContact C-N 3.35Å; N509-K511 PolarHBondContact O-N 2.93Å; N509-K511 PolarHBondContact OD1-N 2.95Å; K511-K515 WeakPolarHBondContact O-CG 2.99Å; K511-K515 PolarHBondContact O-N 3.32Å; K511-F523 HydrophobicContact CB-CE1 4.37Å; K511-F523 HydrophobicContact CB-CZ 4.31Å; K511-F523 HydrophobicContact CD-CD1 4.14Å; K511-F523 HydrophobicContact CD-CE1 3.94Å; K511-F523 HydrophobicContact CG-CD1 4.14Å; K511-F523 HydrophobicContact CG-CE1 3.69Å; K511-F523 HydrophobicContact CG-CE2 4.43Å; K511-F523 HydrophobicContact CG-CZ 3.85Å; K511-D540 PolarHBondContact NZ-O 3.1Å
512	M	90.3	Very high	88.1	Confident	52 Å²	52	44.1 Å²	44.1	26%	0.256	23%	0.233	S	C	.	.	H	α-helix	trans	-62.6	-47.3	172	178	-170.6	71.6	0	0	111.8	E258 N509 M510 L514 K515 K516	E258-M512 HydrophobicContact CB-CE 3.7Å; E258-M512 HydrophobicContact CB-SD 4.2Å; E258-M512 HydrophobicContact CG-CE 3.65Å; E258-M512 HydrophobicContact CG-SD 3.99Å; N509-M512 HydrophobicContact CB-CB 4.23Å; N509-M512 HydrophobicContact CB-CE 4.2Å; N509-M512 PolarHBondContact O-N 2.89Å; N509-M512 WeakPolarHBondContact OD1-CB 3.44Å; N509-M512 PolarHBondContact OD1-N 3.46Å; M510-M512 PolarHBondContact O-N 3.22Å; M512-L514 PolarHBondContact O-N 3.4Å; M512-K515 PolarHBondContact O-N 2.86Å; M512-K516 HydrophobicContact CG-CG 4.48Å; M512-K516 VanDerWaalsContact O-CG 3.3Å; M512-K516 WeakPolarHBondContact O-CG 3.12Å; M512-K516 PolarHBondContact O-N 3.24Å
513	L	91.9	Very high	88.4	Confident	2 Å²	2	45.2 Å²	45.2	1%	0.01	24%	0.237	C	C	.	.	H	α-helix	trans	-61.9	-43.3	-177.1	-170.8	57.6	0	0	0	112.5	L251 H254 L255 N509 M510 K516 L517	L251-L513 HydrophobicContact CD2-CD1 4.14Å; L251-L513 HydrophobicContact CD2-CD2 3.64Å; L251-L513 HydrophobicContact CD2-CG 3.87Å; H254-L513 HydrophobicContact CB-CD1 3.64Å; L255-L513 HydrophobicContact CD1-CD2 4.32Å; L255-L513 HydrophobicContact CD2-CD1 4.13Å; L255-L513 HydrophobicContact CD2-CD2 3.99Å; L255-L513 HydrophobicContact CG-CD1 4.09Å; L255-L513 HydrophobicContact CG-CD2 4.2Å; N509-L513 WeakPolarHBondContact O-CB 3.3Å; N509-L513 PolarHBondContact O-N 3.41Å; M510-L513 HydrophobicContact CE-CD2 4.38Å; M510-L513 PolarHBondContact O-N 2.87Å; M510-L513 HydrophobicContact SD-CD2 3.83Å; L513-K516 PolarHBondContact O-N 3.27Å; L513-L517 WeakPolarHBondContact O-CG 3.41Å; L513-L517 PolarHBondContact O-N 2.94Å
514	L	92.5	Very high	88.3	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-63.4	-41.8	175.8	-67.6	174.2	0	0	0	111.5	L275 M510 M512 K516 L517 G518 L519 F523 L539 A542	L275-L514 HydrophobicContact CD1-CD2 3.86Å; L275-L514 HydrophobicContact CD2-CD2 3.73Å; L275-L514 HydrophobicContact CG-CD2 4.34Å; M510-L514 HydrophobicContact CE-CD2 4.33Å; M510-L514 HydrophobicContact CE-CG 4.31Å; M510-L514 WeakPolarHBondContact O-CB 3.27Å; M510-L514 WeakPolarHBondContact O-CG 3.28Å; M510-L514 PolarHBondContact O-N 2.98Å; M512-L514 PolarHBondContact O-N 3.4Å; L514-K516 PolarHBondContact O-N 3.36Å; L514-L517 HydrophobicContact CD2-CD1 4.43Å; L514-L517 PolarHBondContact O-N 3.13Å; L514-G518 PolarHBondContact O-N 2.89Å; L514-L519 HydrophobicContact CB-CB 4.3Å; L514-L519 HydrophobicContact CD2-CD1 3.74Å; L514-L519 WeakPolarHBondContact O-CA 3.5Å; L514-L519 VanDerWaalsContact O-CB 3.3Å; L514-L519 WeakPolarHBondContact O-CB 3.3Å; L514-L519 PolarHBondContact O-N 3.21Å; L514-F523 HydrophobicContact CB-CE2 4.02Å; L514-F523 HydrophobicContact CB-CZ 4.22Å; L514-F523 HydrophobicContact CD1-CZ 3.99Å; L514-L539 HydrophobicContact CD1-CD2 4.21Å; L514-A542 HydrophobicContact CD1-CB 3.57Å
515	K	90.1	Very high	88.3	Confident	81 Å²	81	46.1 Å²	46.1	35%	0.352	25%	0.254	S	S	.	.	H	α-helix	trans	-59.5	-43.8	172.5	-72.1	-163.5	169	-136.2	0	112.1	K511 M512 L517 G518 F523 E524	K511-K515 WeakPolarHBondContact O-CG 2.99Å; K511-K515 PolarHBondContact O-N 3.32Å; M512-K515 PolarHBondContact O-N 2.86Å; K515-L517 VanDerWaalsContact C-N 3.28Å; K515-L517 PolarHBondContact O-N 3.3Å; K515-G518 PolarHBondContact O-N 2.92Å; K515-F523 HydrophobicContact CG-CD2 4.15Å; K515-F523 HydrophobicContact CG-CE2 4.19Å; K515-E524 IonicContact NZ-OE1 2.84Å; K515-E524 PolarHBondContact NZ-OE1 3.06Å
516	K	90.1	Very high	88.6	Confident	102 Å²	102	43 Å²	43	44%	0.443	24%	0.237	S	C	.	.	H	α-helix	trans	-66	-26.5	177.7	-62.9	-83.9	176.4	149.2	0	113.3	H254 E258 M512 L513 L514 G518	H254-K516 PolarHBondContact CE1-O 2.64Å; E258-K516 VanDerWaalsContact CD-NZ 3.25Å; E258-K516 VanDerWaalsContact OE1-CE 3.25Å; E258-K516 WeakPolarHBondContact OE1-CE 3.32Å; E258-K516 IonicContact OE1-NZ 2.76Å; E258-K516 PolarHBondContact OE1-NZ 3.32Å; E258-K516 IonicContact OE2-NZ 2.67Å; E258-K516 PolarHBondContact OE2-NZ 3.4Å; E258-K516 VanDerWaalsContact OE2-NZ 3.14Å; M512-K516 HydrophobicContact CG-CG 4.48Å; M512-K516 VanDerWaalsContact O-CG 3.3Å; M512-K516 WeakPolarHBondContact O-CG 3.12Å; M512-K516 PolarHBondContact O-N 3.24Å; L513-K516 PolarHBondContact O-N 3.27Å; L514-K516 PolarHBondContact O-N 3.36Å; K516-G518 PolarHBondContact O-N 3.04Å
517	L	89.6	Confident	88.8	Confident	15 Å²	15	42.6 Å²	42.6	8%	0.079	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-1.6	170.8	-69.8	170.4	0	0	0	114.1	F247 K250 L251 A293 L513 L514 K515 L519	F247-L517 HydrophobicContact CE2-CD1 4.02Å; K250-L517 HydrophobicContact CD-CD2 4.04Å; K250-L517 HydrophobicContact CG-CD2 3.99Å; L251-L517 HydrophobicContact CD2-CD1 3.83Å; A293-L517 HydrophobicContact CB-CB 4.26Å; L513-L517 WeakPolarHBondContact O-CG 3.41Å; L513-L517 PolarHBondContact O-N 2.94Å; L514-L517 HydrophobicContact CD2-CD1 4.43Å; L514-L517 PolarHBondContact O-N 3.13Å; K515-L517 VanDerWaalsContact C-N 3.28Å; K515-L517 PolarHBondContact O-N 3.3Å; L517-L519 HydrophobicContact CB-CG 4.5Å
518	G	89.4	Confident	89	Confident	49 Å²	49	39.3 Å²	39.3	51%	0.505	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.8	17.6	-177.5	0	0	0	0	0	114.6	L514 K515 K516	L514-G518 PolarHBondContact O-N 2.89Å; K515-G518 PolarHBondContact O-N 2.92Å; K516-G518 PolarHBondContact O-N 3.04Å
519	L	93.1	Very high	89.1	Confident	1 Å²	1	39 Å²	39	1%	0.005	22%	0.219	C	C	.	.			trans	-100.3	27.9	-179.3	-58	173.4	0	0	0	113.1	L275 A289 L290 A293 L514 L517 S521 L522	L275-L519 HydrophobicContact CD1-CD1 4.27Å; L275-L519 HydrophobicContact CD2-CD1 4.27Å; A289-L519 HydrophobicContact CB-CD2 3.96Å; L290-L519 HydrophobicContact CD2-CD1 3.99Å; L290-L519 HydrophobicContact CD2-CD2 3.86Å; L290-L519 HydrophobicContact CG-CD2 4.07Å; A293-L519 HydrophobicContact CB-CD1 3.66Å; A293-L519 HydrophobicContact CB-CD2 3.83Å; A293-L519 HydrophobicContact CB-CG 3.79Å; L514-L519 HydrophobicContact CB-CB 4.3Å; L514-L519 HydrophobicContact CD2-CD1 3.74Å; L514-L519 WeakPolarHBondContact O-CA 3.5Å; L514-L519 VanDerWaalsContact O-CB 3.3Å; L514-L519 WeakPolarHBondContact O-CB 3.3Å; L514-L519 PolarHBondContact O-N 3.21Å; L517-L519 HydrophobicContact CB-CG 4.5Å; L519-S521 PolarHBondContact O-N 3.44Å; L519-L522 HydrophobicContact CB-CD1 3.82Å; L519-L522 HydrophobicContact CB-CG 4.11Å; L519-L522 HydrophobicContact CD1-CD1 4.25Å; L519-L522 HydrophobicContact CG-CD1 4.45Å; L519-L522 WeakPolarHBondContact O-CB 3.36Å; L519-L522 WeakPolarHBondContact O-CG 3.48Å; L519-L522 PolarHBondContact O-N 3.18Å; L519-L522 VanDerWaalsContact O-N 3.17Å
520	S	89.1	Confident	89.1	Confident	38 Å²	38	35.6 Å²	35.6	27%	0.266	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-56.7	-36.8	177.6	-59.5	0	0	0	0	113.2	L522 F523	S520-L522 PolarHBondContact O-N 3.17Å; S520-L522 VanDerWaalsContact O-N 3.07Å; S520-F523 PolarHBondContact O-N 3.32Å
521	S	87	Confident	89	Confident	41 Å²	41	35.1 Å²	35.1	29%	0.287	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-58.2	-23.8	179.3	58.7	0	0	0	0	113.8	L519 F523 E524 G525 P526	L519-S521 PolarHBondContact O-N 3.44Å; S521-F523 PolarHBondContact O-N 3.09Å; S521-E524 PolarHBondContact O-N 3.5Å; S521-G525 CarbonylContact O-C 3.58Å; S521-G525 PolarHBondContact O-N 2.77Å; S521-P526 WeakPolarHBondContact O-CD 3.4Å; S521-P526 VanDerWaalsContact O-N 3.14Å
522	L	90.4	Very high	88.9	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-57.8	-31.9	172.8	-63.9	-176.6	0	0	0	112.8	L278 T286 L290 L519 S520 P526 L539	L278-L522 HydrophobicContact CD2-CD1 4.16Å; L278-L522 HydrophobicContact CD2-CD2 3.96Å; T286-L522 HydrophobicContact CG2-CD2 3.73Å; L290-L522 HydrophobicContact CD2-CD1 4.45Å; L519-L522 HydrophobicContact CB-CD1 3.82Å; L519-L522 HydrophobicContact CB-CG 4.11Å; L519-L522 HydrophobicContact CD1-CD1 4.25Å; L519-L522 HydrophobicContact CG-CD1 4.45Å; L519-L522 WeakPolarHBondContact O-CB 3.36Å; L519-L522 WeakPolarHBondContact O-CG 3.48Å; L519-L522 PolarHBondContact O-N 3.18Å; L519-L522 VanDerWaalsContact O-N 3.17Å; S520-L522 PolarHBondContact O-N 3.17Å; S520-L522 VanDerWaalsContact O-N 3.07Å; L522-P526 HydrophobicContact CD2-CB 3.98Å; L522-P526 WeakPolarHBondContact O-CD 3.34Å; L522-P526 WeakPolarHBondContact O-CG 3.24Å; L522-L539 HydrophobicContact CB-CB 4.04Å; L522-L539 HydrophobicContact CB-CD2 3.98Å; L522-L539 HydrophobicContact CD1-CD2 3.92Å; L522-L539 VanDerWaalsContact O-CB 3.32Å; L522-L539 WeakPolarHBondContact O-CB 3.47Å; L522-L539 PolarHBondContact O-N 3.1Å
523	F	88.2	Confident	88.3	Confident	28 Å²	28	33.5 Å²	33.5	12%	0.123	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-95.8	-4.9	-176.1	-56.3	-81	0	0	0	113.6	K511 L514 K515 S520 S521 L539	K511-F523 HydrophobicContact CB-CE1 4.37Å; K511-F523 HydrophobicContact CB-CZ 4.31Å; K511-F523 HydrophobicContact CD-CD1 4.14Å; K511-F523 HydrophobicContact CD-CE1 3.94Å; K511-F523 HydrophobicContact CG-CD1 4.14Å; K511-F523 HydrophobicContact CG-CE1 3.69Å; K511-F523 HydrophobicContact CG-CE2 4.43Å; K511-F523 HydrophobicContact CG-CZ 3.85Å; L514-F523 HydrophobicContact CB-CE2 4.02Å; L514-F523 HydrophobicContact CB-CZ 4.22Å; L514-F523 HydrophobicContact CD1-CZ 3.99Å; K515-F523 HydrophobicContact CG-CD2 4.15Å; K515-F523 HydrophobicContact CG-CE2 4.19Å; S520-F523 PolarHBondContact O-N 3.32Å; S521-F523 PolarHBondContact O-N 3.09Å; F523-L539 HydrophobicContact CD1-CG 4.48Å; F523-L539 WeakPolarHBondContact CD1-O 3.25Å; F523-L539 HydrophobicContact CE1-CB 4.46Å; F523-L539 HydrophobicContact CE1-CD2 4Å; F523-L539 HydrophobicContact CE1-CG 3.98Å; F523-L539 HydrophobicContact CZ-CD2 3.96Å; F523-L539 HydrophobicContact CZ-CG 4.45Å
524	E	84.7	Confident	87.5	Confident	126 Å²	126	36.9 Å²	36.9	59%	0.589	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-121.8	-31.2	-166.3	-73.7	150.5	-156.1	0	0	112.2	K515 S521	K515-E524 IonicContact NZ-OE1 2.84Å; K515-E524 PolarHBondContact NZ-OE1 3.06Å; S521-E524 PolarHBondContact O-N 3.5Å
525	G	83	Confident	86.2	Confident	39 Å²	39	38.9 Å²	38.9	40%	0.402	24%	0.238	S	C	.	.			trans	161	65.6	176.4	0	0	0	0	0	112.1	S521	S521-G525 CarbonylContact O-C 3.58Å; S521-G525 PolarHBondContact O-N 2.77Å
526	P	87.2	Confident	85.2	Confident	11 Å²	11	40.4 Å²	40.4	7%	0.071	25%	0.25	C	C	.	.			trans	-70.8	149.9	-175.8	30.4	-36.6	0	0	0	113.5	T286 S521 L522 L528 L537	T286-P526 HydrophobicContact CG2-CB 3.95Å; S521-P526 WeakPolarHBondContact O-CD 3.4Å; S521-P526 VanDerWaalsContact O-N 3.14Å; L522-P526 HydrophobicContact CD2-CB 3.98Å; L522-P526 WeakPolarHBondContact O-CD 3.34Å; L522-P526 WeakPolarHBondContact O-CG 3.24Å; P526-L528 HydrophobicContact CB-CD1 4.04Å; P526-L528 HydrophobicContact CB-CG 4.02Å; P526-L528 HydrophobicContact CG-CD1 3.7Å; P526-L528 HydrophobicContact CG-CG 4.15Å; P526-L528 PolarHBondContact O-N 2.81Å; P526-L537 VanDerWaalsContact CD-O 3.25Å; P526-L537 WeakPolarHBondContact CD-O 3.46Å; P526-L537 WeakPolarHBondContact CG-O 3.46Å
527	S	87.9	Confident	84.8	Confident	26 Å²	26	35.7 Å²	35.7	18%	0.182	23%	0.229	C	C	.	.			trans	-83.2	91	170	-169.9	0	0	0	0	109.3	L221 A282 T283 T286	L221-S527 WeakPolarHBondContact CD1-OG 2.98Å; A282-S527 WeakPolarHBondContact CA-O 3.26Å; T283-S527 PolarHBondContact N-O 3.5Å; T283-S527 WeakPolarHBondContact O-CB 3.39Å; T283-S527 PolarHBondContact OG1-O 2.94Å; T283-S527 PolarHBondContact OG1-OG 3.3Å; T286-S527 PolarHBondContact OG1-N 2.6Å
528	L	90	Very high	84.7	Confident	6 Å²	6	36.9 Å²	36.9	3%	0.031	24%	0.237	C	C	.	.			trans	-113.1	42.7	180	-70.7	171.4	0	0	0	111.8	L278 G281 A282 T286 L387 P526 G530 L531 S532 L537	L278-L528 HydrophobicContact CD1-CD1 4.02Å; L278-L528 HydrophobicContact CD1-CD2 3.63Å; L278-L528 HydrophobicContact CD2-CD2 4.49Å; L278-L528 HydrophobicContact CG-CD2 3.97Å; G281-L528 CarbonylContact O-C 3.57Å; G281-L528 WeakPolarHBondContact O-CA 3.44Å; A282-L528 HydrophobicContact CB-CD2 3.88Å; T286-L528 HydrophobicContact CG2-CD2 4.36Å; L387-L528 HydrophobicContact CD2-CD1 4.32Å; P526-L528 HydrophobicContact CB-CD1 4.04Å; P526-L528 HydrophobicContact CB-CG 4.02Å; P526-L528 HydrophobicContact CG-CD1 3.7Å; P526-L528 HydrophobicContact CG-CG 4.15Å; P526-L528 PolarHBondContact O-N 2.81Å; L528-G530 VanDerWaalsContact C-N 3.3Å; L528-G530 PolarHBondContact O-N 3.03Å; L528-L531 HydrophobicContact CB-CB 4.29Å; L528-L531 WeakPolarHBondContact O-CB 3.29Å; L528-L531 PolarHBondContact O-N 3.06Å; L528-S532 PolarHBondContact O-N 3Å; L528-S532 VanDerWaalsContact O-N 3.15Å; L528-L537 HydrophobicContact CB-CD2 4.27Å; L528-L537 HydrophobicContact CD1-CD2 3.45Å; L528-L537 VanDerWaalsContact CD1-CD2 3.45Å; L528-L537 HydrophobicContact CG-CD2 4.46Å
529	C	88.3	Confident	84.8	Confident	9 Å²	9	34.7 Å²	34.7	6%	0.061	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-22.3	-172.5	-70.8	0	0	0	0	115.1	C218 G281 T283 L531	C218-C529 WeakPolarHBondContact CA-SG 3.38Å; C218-C529 HydrophobicContact CB-CB 3.42Å; C218-C529 VanDerWaalsContact CB-CB 3.42Å; C218-C529 WeakPolarHBondContact CB-SG 3.08Å; C218-C529 WeakPolarHBondContact SG-CA 3.42Å; C218-C529 WeakPolarHBondContact SG-CB 3.47Å; C218-C529 CovalentContact SG-SG 2.04Å; C218-C529 PolarHBondContact SG-SG 3.01Å; G281-C529 PolarHBondContact O-N 2.81Å; T283-C529 HydrophobicContact CG2-CB 4.05Å; T283-C529 WeakPolarHBondContact OG1-CB 3.5Å; T283-C529 PolarHBondContact OG1-N 2.69Å; C529-L531 VanDerWaalsContact C-N 3.34Å
530	G	87.7	Confident	84.6	Confident	23 Å²	23	36.8 Å²	36.8	24%	0.237	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-30.3	169.7	0	0	0	0	0	112.2	G281 S333 F336 L528	G281-G530 WeakPolarHBondContact O-CA 3.39Å; G281-G530 PolarHBondContact O-N 3.22Å; S333-G530 WeakPolarHBondContact CB-O 3.41Å; S333-G530 PolarHBondContact OG-O 3.43Å; F336-G530 WeakPolarHBondContact CB-O 3.43Å; L528-G530 VanDerWaalsContact C-N 3.3Å; L528-G530 PolarHBondContact O-N 3.03Å
531	L	89.1	Confident	84.6	Confident	0 Å²	0	37 Å²	37	0%	0	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-50	-180	-175	151.4	0	0	0	111.5	L278 G281 M330 L332 S333 F336 L387 L528 C529 L537	L278-L531 HydrophobicContact CD1-CD1 4.05Å; G281-L531 PolarHBondContact O-N 2.73Å; M330-L531 HydrophobicContact CE-CD2 3.93Å; L332-L531 CarbonylContact C-O 3.57Å; L332-L531 VanDerWaalsContact CA-O 3.27Å; L332-L531 WeakPolarHBondContact CA-O 3.39Å; L332-L531 HydrophobicContact CD2-CD2 3.39Å; L332-L531 HydrophobicContact CD2-CG 3.95Å; S333-L531 PolarHBondContact N-O 3.19Å; F336-L531 HydrophobicContact CD1-CB 4.47Å; F336-L531 HydrophobicContact CD1-CG 4.05Å; F336-L531 HydrophobicContact CD2-CB 4.45Å; F336-L531 HydrophobicContact CE1-CB 4.45Å; F336-L531 HydrophobicContact CE1-CD1 3.77Å; F336-L531 HydrophobicContact CE1-CG 3.74Å; F336-L531 HydrophobicContact CE2-CB 4.46Å; F336-L531 HydrophobicContact CE2-CD1 4.24Å; F336-L531 HydrophobicContact CE2-CG 4.46Å; F336-L531 HydrophobicContact CG-CB 4.46Å; F336-L531 HydrophobicContact CZ-CB 4.47Å; F336-L531 HydrophobicContact CZ-CD1 3.6Å; F336-L531 HydrophobicContact CZ-CG 3.98Å; L387-L531 HydrophobicContact CD1-CD1 4.26Å; L528-L531 HydrophobicContact CB-CB 4.29Å; L528-L531 WeakPolarHBondContact O-CB 3.29Å; L528-L531 PolarHBondContact O-N 3.06Å; C529-L531 VanDerWaalsContact C-N 3.34Å; L531-L537 HydrophobicContact CD2-CD1 3.59Å
532	S	87	Confident	84.8	Confident	7 Å²	7	35.3 Å²	35.3	5%	0.049	21%	0.212	C	C	.	.			trans	-152	151.5	177.1	-171	0	0	0	0	111.5	N331 L528 N534	N331-S532 WeakPolarHBondContact O-CB 3.36Å; N331-S532 PolarHBondContact O-OG 2.77Å; L528-S532 PolarHBondContact O-N 3Å; L528-S532 VanDerWaalsContact O-N 3.15Å; S532-N534 PolarHBondContact O-N 3.01Å
533	S	78.5	Confident	84.9	Confident	99 Å²	99	37.6 Å²	37.6	69%	0.692	22%	0.222	S	C	*	.	S	Bend	trans	-75.9	3.3	176.2	-45.1	0	0	0	0	114.3
534	N	74.1	Confident	85.1	Confident	73 Å²	73	36.3 Å²	36.3	39%	0.39	22%	0.216	S	C	.	.			trans	-87.1	124	177.7	-174.8	3.2	0	0	0	111.3	S532 D536	S532-N534 PolarHBondContact O-N 3.01Å; N534-D536 PolarHBondContact OD1-N 2.98Å; N534-D536 VanDerWaalsContact OD1-N 3.14Å
535	N	64.9	Low	85.3	Confident	43 Å²	43	31.9 Å²	31.9	23%	0.23	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-3.2	-176.9	-83.2	28.9	0	0	0	114.8	K215 S216 C218	K215-N535 PolarHBondContact NZ-O 3.33Å; S216-N535 PolarHBondContact O-ND2 2.64Å; S216-N535 VanDerWaalsContact O-ND2 3.09Å; C218-N535 PolarHBondContact SG-OD1 3.34Å
536	D	70.6	Confident	85.5	Confident	112 Å²	112	30 Å²	30	60%	0.599	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.2	26.9	-179.4	-65.1	-36.9	0	0	0	113.1	K215 N534	K215-D536 IonicContact NZ-OD1 2.68Å; K215-D536 PolarHBondContact NZ-OD1 2.78Å; N534-D536 PolarHBondContact OD1-N 2.98Å; N534-D536 VanDerWaalsContact OD1-N 3.14Å
537	L	81.7	Confident	85.4	Confident	4 Å²	4	30.3 Å²	30.3	2%	0.021	18%	0.176	C	C	.	.			trans	-86.4	131.1	177	-169.6	152.9	0	0	0	111.1	M330 L387 P526 L528 L531	M330-L537 HydrophobicContact CE-CD1 3.29Å; M330-L537 HydrophobicContact CE-CG 4.4Å; M330-L537 HydrophobicContact SD-CD1 3.93Å; L387-L537 HydrophobicContact CB-CD2 4.42Å; L387-L537 HydrophobicContact CD2-CD2 4.21Å; P526-L537 VanDerWaalsContact CD-O 3.25Å; P526-L537 WeakPolarHBondContact CD-O 3.46Å; P526-L537 WeakPolarHBondContact CG-O 3.46Å; L528-L537 HydrophobicContact CB-CD2 4.27Å; L528-L537 HydrophobicContact CD1-CD2 3.45Å; L528-L537 VanDerWaalsContact CD1-CD2 3.45Å; L528-L537 HydrophobicContact CG-CD2 4.46Å; L531-L537 HydrophobicContact CD2-CD1 3.59Å
538	V	87.9	Confident	85.4	Confident	40 Å²	40	29.3 Å²	29.3	24%	0.242	17%	0.168	C	C	.	.			trans	-127.9	158.8	172.8	-67.3	0	0	0	0	110.7	L387	L387-V538 WeakPolarHBondContact CB-O 3.39Å
539	L	90.5	Very high	85.1	Confident	2 Å²	2	29.7 Å²	29.7	1%	0.01	17%	0.173	C	C	.	.			trans	-82.9	108.8	164.7	178.7	60.2	0	0	0	108.8	L387 L389 L514 L522 F523 D541 A542	L387-L539 HydrophobicContact CD2-CD1 4.23Å; L387-L539 HydrophobicContact CG-CD1 4.49Å; L389-L539 HydrophobicContact CB-CD1 4.31Å; L389-L539 HydrophobicContact CD1-CD1 4.37Å; L389-L539 HydrophobicContact CD1-CD2 4.1Å; L389-L539 HydrophobicContact CG-CD1 3.74Å; L389-L539 HydrophobicContact CG-CD2 4.36Å; L514-L539 HydrophobicContact CD1-CD2 4.21Å; L522-L539 HydrophobicContact CB-CB 4.04Å; L522-L539 HydrophobicContact CB-CD2 3.98Å; L522-L539 HydrophobicContact CD1-CD2 3.92Å; L522-L539 VanDerWaalsContact O-CB 3.32Å; L522-L539 WeakPolarHBondContact O-CB 3.47Å; L522-L539 PolarHBondContact O-N 3.1Å; F523-L539 HydrophobicContact CD1-CG 4.48Å; F523-L539 WeakPolarHBondContact CD1-O 3.25Å; F523-L539 HydrophobicContact CE1-CB 4.46Å; F523-L539 HydrophobicContact CE1-CD2 4Å; F523-L539 HydrophobicContact CE1-CG 3.98Å; F523-L539 HydrophobicContact CZ-CD2 3.96Å; F523-L539 HydrophobicContact CZ-CG 4.45Å; L539-D541 VanDerWaalsContact CD1-O 3.22Å; L539-D541 WeakPolarHBondContact CD1-O 3.37Å; L539-A542 HydrophobicContact CD2-CB 4.41Å
540	D	89.6	Confident	84.9	Confident	45 Å²	45	29.7 Å²	29.7	24%	0.241	17%	0.172	C	C	.	.			trans	-72.6	-50.7	-180	-59.6	-92.9	0	0	0	111.1	T385 Q386 L387 K511	T385-D540 HydrophobicContact CG2-CB 4.05Å; Q386-D540 WeakPolarHBondContact CA-OD2 3.49Å; Q386-D540 PolarHBondContact N-OD2 2.82Å; L387-D540 PolarHBondContact N-OD2 2.76Å; L387-D540 PolarHBondContact O-N 3.25Å; L387-D540 VanDerWaalsContact O-N 3.07Å; K511-D540 PolarHBondContact NZ-O 3.1Å
541	D	87.6	Confident	84.6	Confident	43 Å²	43	30.1 Å²	30.1	23%	0.23	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	151.4	-176	-163.3	19.4	0	0	0	112.9	I388 L389 L539 K543	I388-D541 WeakPolarHBondContact CA-O 3.39Å; L389-D541 PolarHBondContact N-O 3.04Å; L389-D541 VanDerWaalsContact N-O 3.16Å; L539-D541 VanDerWaalsContact CD1-O 3.22Å; L539-D541 WeakPolarHBondContact CD1-O 3.37Å; D541-K543 WeakPolarHBondContact OD2-CE 3.34Å; D541-K543 WeakPolarHBondContact OD2-CG 3.5Å
542	A	92.1	Very high	83.8	Confident	5 Å²	5	31.1 Å²	31.1	4%	0.041	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	133.1	172.4	0	0	0	0	0	108.3	L389 M510 L514 L539	L389-A542 HydrophobicContact CB-CB 4.28Å; L389-A542 CarbonylContact O-C 3.58Å; L389-A542 WeakPolarHBondContact O-CA 3.4Å; M510-A542 HydrophobicContact CB-CB 4.01Å; M510-A542 VanDerWaalsContact CB-O 3.3Å; M510-A542 WeakPolarHBondContact CB-O 3.4Å; L514-A542 HydrophobicContact CD1-CB 3.57Å; L539-A542 HydrophobicContact CD2-CB 4.41Å
543	K	92.1	Very high	82.6	Confident	49 Å²	49	36.8 Å²	36.8	21%	0.213	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	126.5	-173.9	-74.5	-67.9	-175.4	176.7	0	110.8	I377 I378 L389 L390 N391 E507 D541	I377-K543 HydrophobicContact CD1-CB 4.27Å; I377-K543 HydrophobicContact CG1-CB 4.15Å; I378-K543 HydrophobicContact CD1-CG 4.33Å; I378-K543 HydrophobicContact CG1-CG 4.12Å; L389-K543 PolarHBondContact O-N 3.32Å; L390-K543 HydrophobicContact CD1-CB 3.6Å; N391-K543 PolarHBondContact N-O 3.35Å; E507-K543 IonicContact OE1-NZ 2.73Å; E507-K543 PolarHBondContact OE1-NZ 3.35Å; D541-K543 WeakPolarHBondContact OD2-CE 3.34Å; D541-K543 WeakPolarHBondContact OD2-CG 3.5Å
544	H	91.9	Very high	81.6	Confident	1 Å²	1	32.1 Å²	32.1	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	126.8	172.9	179.8	70.2	0	0	0	109.2	S267 S270 I271 N391 V393 P508 M510	S267-H544 WeakPolarHBondContact CB-NE2 3.47Å; S267-H544 PolarHBondContact N-NE2 3.36Å; S270-H544 WeakPolarHBondContact CB-NE2 3.36Å; I271-H544 HydrophobicContact CD1-CB 4.45Å; I271-H544 HydrophobicContact CG1-CB 4.35Å; N391-H544 WeakPolarHBondContact CB-CE1 3.4Å; N391-H544 VanDerWaalsContact O-CA 3.3Å; N391-H544 WeakPolarHBondContact O-CA 3.21Å; N391-H544 PolarHBondContact O-CE1 3.27Å; N391-H544 PolarHBondContact OD1-CE1 3.17Å; N391-H544 PolarHBondContact OD1-ND1 2.92Å; N391-H544 PolarHBondContact OD1-NE2 2.68Å; V393-H544 WeakPolarHBondContact CG1-NE2 3.48Å; P508-H544 HydrophobicContact CG-CB 4.43Å; M510-H544 HydrophobicContact CE-CB 4.46Å; M510-H544 HydrophobicContact CG-CB 3.46Å; M510-H544 VanDerWaalsContact CG-CB 3.46Å; M510-H544 HydrophobicContact SD-CB 3.51Å; M510-H544 VanDerWaalsContact SD-CB 3.51Å
545	K	89.7	Confident	80.6	Confident	33 Å²	33	29.2 Å²	29.2	14%	0.143	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	128.1	171.8	-164.5	159.5	177.2	169.1	0	110.9	I374 N376 I377 N391 V393 D505 E507	I374-K545 HydrophobicContact CD1-CB 4.11Å; I374-K545 HydrophobicContact CD1-CG 3.95Å; I374-K545 WeakPolarHBondContact CD1-O 3.44Å; I374-K545 HydrophobicContact CG1-CG 4.44Å; I374-K545 HydrophobicContact CG2-CB 4.48Å; I374-K545 HydrophobicContact CG2-CD 3.75Å; I374-K545 HydrophobicContact CG2-CG 4.14Å; N376-K545 PolarHBondContact O-NZ 2.97Å; I377-K545 HydrophobicContact CD1-CB 3.65Å; I377-K545 HydrophobicContact CG1-CB 4.16Å; I377-K545 HydrophobicContact CG1-CD 4.49Å; N391-K545 PolarHBondContact O-N 2.94Å; V393-K545 PolarHBondContact N-O 2.83Å; D505-K545 WeakPolarHBondContact OD1-CE 3.37Å; D505-K545 IonicContact OD1-NZ 3.9Å; E507-K545 IonicContact OE2-NZ 2.64Å
546	A	88.2	Confident	79.1	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	135.2	-176.5	0	0	0	0	0	109.9	L265 V393 V506 F592	L265-A546 HydrophobicContact CD2-CB 3.78Å; L265-A546 WeakPolarHBondContact CD2-O 3.45Å; L265-A546 HydrophobicContact CG-CB 3.86Å; V393-A546 HydrophobicContact CG1-CB 4.35Å; V506-A546 PolarHBondContact O-N 3.2Å; A546-F592 HydrophobicContact CB-CD1 4.28Å; A546-F592 HydrophobicContact CB-CE1 3.87Å
547	F	85.3	Confident	77.2	Confident	16 Å²	16	28.2 Å²	28.2	7%	0.07	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	126.1	173	-178.3	-89.8	0	0	0	110.8	K373 I374 V393 K503 D505 A549	K373-F547 HydrophobicContact CB-CD1 3.84Å; K373-F547 HydrophobicContact CB-CE1 4.22Å; K373-F547 HydrophobicContact CB-CG 4.05Å; K373-F547 HydrophobicContact CD-CD1 4.44Å; K373-F547 HydrophobicContact CD-CE1 4Å; K373-F547 HydrophobicContact CD-CZ 4.44Å; K373-F547 HydrophobicContact CG-CD1 4.2Å; K373-F547 HydrophobicContact CG-CE1 4.27Å; I374-F547 HydrophobicContact CD1-CB 4.04Å; I374-F547 HydrophobicContact CG1-CB 3.95Å; V393-F547 PolarHBondContact O-N 3.03Å; K503-F547 HydrophobicContact CD-CE2 4.39Å; K503-F547 HydrophobicContact CG-CE2 3.95Å; K503-F547 HydrophobicContact CG-CZ 4.13Å; D505-F547 HydrophobicContact CB-CD2 4.35Å; F547-A549 HydrophobicContact CE1-CB 3.9Å; F547-A549 HydrophobicContact CZ-CB 3.98Å
548	L	86.1	Confident	74.5	Confident	5 Å²	5	29.5 Å²	29.5	3%	0.026	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	131.3	174.2	-173.3	148.4	0	0	0	110.4	L265 L504 L550 L580 F592	L265-L548 HydrophobicContact CD1-CB 3.97Å; L265-L548 HydrophobicContact CD1-CD1 4.26Å; L265-L548 HydrophobicContact CD2-CB 3.66Å; L265-L548 HydrophobicContact CG-CB 4.49Å; L504-L548 PolarHBondContact N-O 2.86Å; L504-L548 PolarHBondContact O-N 3.16Å; L548-L550 HydrophobicContact CD2-CD2 4.04Å; L548-L550 HydrophobicContact CD2-CG 4.13Å; L548-L580 HydrophobicContact CD1-CD1 3.86Å; L548-L580 HydrophobicContact CD2-CD1 4.41Å; L548-L580 HydrophobicContact CD2-CD2 4.24Å; L548-F592 HydrophobicContact CD1-CB 4.18Å; L548-F592 HydrophobicContact CD1-CD1 4.37Å; L548-F592 HydrophobicContact CD1-CG 4.31Å
549	A	84.6	Confident	71.5	Confident	15 Å²	15	31.4 Å²	31.4	12%	0.124	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	137.2	175.8	0	0	0	0	0	111.5	V502 F547 V555	V502-A549 CarbonylContact O-C 3.52Å; V502-A549 WeakPolarHBondContact O-CA 3.32Å; F547-A549 HydrophobicContact CE1-CB 3.9Å; F547-A549 HydrophobicContact CZ-CB 3.98Å; A549-V555 WeakPolarHBondContact O-CG2 3.29Å
550	L	83.3	Confident	68.5	Low	8 Å²	8	34.8 Å²	34.8	4%	0.042	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	124.7	174.1	-57.9	-179.2	0	0	0	109.3	W399 I425 L455 V502 L548	W399-L550 HydrophobicContact CH2-CD2 4.19Å; W399-L550 HydrophobicContact CZ2-CD2 4.36Å; I425-L550 HydrophobicContact CD1-CB 3.83Å; L455-L550 HydrophobicContact CD2-CD1 4.29Å; L455-L550 HydrophobicContact CD2-CD2 3.76Å; V502-L550 HydrophobicContact CB-CB 4.26Å; V502-L550 HydrophobicContact CB-CD1 4.12Å; V502-L550 HydrophobicContact CB-CG 4.18Å; V502-L550 HydrophobicContact CG2-CD1 4.21Å; V502-L550 PolarHBondContact N-O 2.84Å; V502-L550 PolarHBondContact O-N 2.83Å; L548-L550 HydrophobicContact CD2-CD2 4.04Å; L548-L550 HydrophobicContact CD2-CG 4.13Å
551	T	82.9	Confident	65.4	Low	33 Å²	33	39.7 Å²	39.7	20%	0.202	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-135.1	165	178.5	78.7	0	0	0	0	111.3	W399 R553 G554	W399-T551 PolarHBondContact NE1-O 2.94Å; T551-R553 PolarHBondContact O-N 2.6Å; T551-R553 PolarHBondContact OG1-N 3.19Å; T551-G554 CarbonylContact C-O 3.58Å; T551-G554 WeakPolarHBondContact CA-O 3.35Å; T551-G554 WeakPolarHBondContact CB-O 3.29Å; T551-G554 PolarHBondContact N-O 3.37Å; T551-G554 VanDerWaalsContact N-O 3.1Å; T551-G554 PolarHBondContact O-N 3.33Å; T551-G554 VanDerWaalsContact O-N 3.17Å; T551-G554 PolarHBondContact OG1-O 2.81Å
552	E	71.6	Confident	62.5	Low	21 Å²	21	41.5 Å²	41.5	10%	0.098	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-30.5	177.9	-62.8	79.3	-178.4	0	0	112.5	F403 I425 Q501 G554	F403-E552 HydrophobicContact CB-CB 4.36Å; I425-E552 HydrophobicContact CG1-CG 4.44Å; Q501-E552 VanDerWaalsContact NE2-CD 3.26Å; Q501-E552 PolarHBondContact NE2-OE1 3.38Å; Q501-E552 PolarHBondContact NE2-OE2 2.94Å; E552-G554 VanDerWaalsContact C-N 3.27Å; E552-G554 PolarHBondContact O-N 2.75Å
553	R	62.1	Low	59.3	Low	126 Å²	126	49.3 Å²	49.3	48%	0.475	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-8.2	-176.4	-76.5	172.2	179.6	-163.4	3.9	113.6	D405 T551 A557	D405-R553 IonicContact OD2-NE 3.95Å; D405-R553 IonicContact OD2-NH2 2.69Å; T551-R553 PolarHBondContact O-N 2.6Å; T551-R553 PolarHBondContact OG1-N 3.19Å; R553-A557 HydrophobicContact CB-CB 3.74Å; R553-A557 HydrophobicContact CG-CB 3.83Å; R553-A557 WeakPolarHBondContact O-CA 3.27Å
554	G	56.9	Low	56.2	Low	0 Å²	0	51.6 Å²	51.6	0%	0	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	111.2	-146.6	-163.9	0	0	0	0	0	109.8	W399 T551 E552	W399-G554 VanDerWaalsContact NE1-CA 3.34Å; T551-G554 CarbonylContact C-O 3.58Å; T551-G554 WeakPolarHBondContact CA-O 3.35Å; T551-G554 WeakPolarHBondContact CB-O 3.29Å; T551-G554 PolarHBondContact N-O 3.37Å; T551-G554 VanDerWaalsContact N-O 3.1Å; T551-G554 PolarHBondContact O-N 3.33Å; T551-G554 VanDerWaalsContact O-N 3.17Å; T551-G554 PolarHBondContact OG1-O 2.81Å; E552-G554 VanDerWaalsContact C-N 3.27Å; E552-G554 PolarHBondContact O-N 2.75Å
555	V	54.2	Low	53.3	Low	13 Å²	13	61.3 Å²	61.3	8%	0.079	35%	0.352	C	S	.	.	S	Bend	trans	-88.7	70.9	136.8	-158.9	0	0	0	0	107.3	F395 S396 G397 A549	F395-V555 HydrophobicContact CD1-CG2 4.14Å; F395-V555 HydrophobicContact CE1-CG2 4.31Å; S396-V555 PolarHBondContact OG-O 3.09Å; G397-V555 WeakPolarHBondContact O-CA 3.49Å; G397-V555 WeakPolarHBondContact O-CB 3.38Å; G397-V555 WeakPolarHBondContact O-CG2 3.39Å; G397-V555 PolarHBondContact O-N 2.91Å; A549-V555 WeakPolarHBondContact O-CG2 3.29Å
556	E	33	Very low	51.2	Low	91 Å²	91	65.5 Å²	65.5	43%	0.425	39%	0.386	S	S	.	.	S	Bend	trans	59.8	122.6	170.7	-45.7	-174.4	72.4	0	0	118.8	K373 Q398	K373-E556 IonicContact NZ-OE2 2.6Å; K373-E556 PolarHBondContact NZ-OE2 3.43Å; Q398-E556 WeakPolarHBondContact CG-O 3.36Å; Q398-E556 PolarHBondContact NE2-O 3.38Å
557	A	30	Very low	49.6	Very low	43 Å²	43	75.2 Å²	75.2	36%	0.355	42%	0.422	S	S	.	.			cis	-168.4	165.5	-9.8	0	0	0	0	0	109.9	Q398 R553	Q398-A557 PolarHBondContact NE2-O 2.94Å; Q398-A557 VanDerWaalsContact NE2-O 3.13Å; Q398-A557 PolarHBondContact OE1-O 2.93Å; R553-A557 HydrophobicContact CB-CB 3.74Å; R553-A557 HydrophobicContact CG-CB 3.83Å; R553-A557 WeakPolarHBondContact O-CA 3.27Å
558	G	25.3	Very low	48.7	Very low	30 Å²	30	80.6 Å²	80.6	31%	0.309	46%	0.462	S	S	.	.			cis	-178.7	-147.7	6.3	0	0	0	0	0	112	K402	K402-G558 WeakPolarHBondContact CE-O 3.45Å; K402-G558 PolarHBondContact NZ-O 3.41Å
559	A	25.9	Very low	48.3	Very low	81 Å²	81	82.5 Å²	82.5	67%	0.669	47%	0.47	S	S	*	.			trans	72.8	128.5	174.7	0	0	0	0	0	120.1	K402	K402-A559 WeakPolarHBondContact CD-O 3.28Å; K402-A559 WeakPolarHBondContact CE-O 3.4Å; K402-A559 PolarHBondContact NZ-O 2.6Å
560	V	26.8	Very low	48.3	Very low	73 Å²	73	84.6 Å²	84.6	44%	0.442	48%	0.483	S	S	.	.			trans	-121.5	146.6	-158.6	173.7	0	0	0	0	114.4	D405	D405-V560 HydrophobicContact CB-CG2 4.29Å
561	T	25	Very low	48.6	Very low	147 Å²	147	87.9 Å²	87.9	90%	0.902	50%	0.503	S	S	*	.			trans	-138.9	134.3	156.6	-37.5	0	0	0	0	109.7
562	S	26	Very low	49.1	Very low	82 Å²	82	86.3 Å²	86.3	57%	0.573	49%	0.493	S	S	*	.			trans	-135.9	131.4	-179.5	67.6	0	0	0	0	113.2
563	L	24.5	Very low	50.1	Low	168 Å²	168	87.8 Å²	87.8	88%	0.88	51%	0.506	S	S	*	.			trans	-134.8	133	162.1	-77.8	171	0	0	0	109
564	S	28	Very low	51.6	Low	97 Å²	97	81.8 Å²	81.8	68%	0.678	48%	0.483	S	S	*	.			trans	-110.6	133.1	-174.2	-58.3	0	0	0	0	111
565	F	31.2	Very low	53.3	Low	205 Å²	205	83.1 Å²	83.1	90%	0.899	49%	0.49	S	S	*	.			trans	-137.9	144.2	162.1	-91.4	-80.7	0	0	0	110.4	R567	F565-R567 PolarHBondContact O-N 2.74Å
566	S	45.7	Very low	55.1	Low	121 Å²	121	85.6 Å²	85.6	85%	0.846	50%	0.498	S	S	*	.			trans	-66.6	114.6	-168.1	-177.8	0	0	0	0	113.9
567	R	52.6	Low	58.1	Low	204 Å²	204	81.3 Å²	81.3	77%	0.77	48%	0.478	S	S	*	.			trans	-148.4	141.4	148.1	-65.4	-168.7	-176.4	179.3	1.1	107.3	F565 F569	F565-R567 PolarHBondContact O-N 2.74Å; R567-F569 HydrophobicContact CB-CE1 4.47Å; R567-F569 HydrophobicContact CB-CZ 4.35Å; R567-F569 WeakPolarHBondContact O-CD2 3.4Å; R567-F569 PolarHBondContact O-N 2.74Å; R567-F569 VanDerWaalsContact O-N 3.14Å
568	S	66.9	Low	61.2	Low	129 Å²	129	79.3 Å²	79.3	90%	0.902	46%	0.461	S	S	*	.			trans	-72	104.5	172.6	-51.6	0	0	0	0	109.2
569	F	77.6	Confident	64.7	Low	46 Å²	46	77.9 Å²	77.9	20%	0.202	45%	0.447	C	S	.	.	P	Polyproline II helix	trans	-79.5	151.4	173	-63.3	-66.4	0	0	0	110.3	S428 K429 N494 R567	S428-F569 VanDerWaalsContact O-CD2 3.27Å; S428-F569 WeakPolarHBondContact O-CD2 3.28Å; K429-F569 HydrophobicContact CB-CD2 4.31Å; K429-F569 HydrophobicContact CB-CE2 3.97Å; K429-F569 HydrophobicContact CD-CE2 3.98Å; K429-F569 HydrophobicContact CD-CZ 3.96Å; K429-F569 HydrophobicContact CG-CD2 4.31Å; K429-F569 HydrophobicContact CG-CE2 3.69Å; K429-F569 HydrophobicContact CG-CZ 3.88Å; N494-F569 HydrophobicContact CB-CD1 3.35Å; N494-F569 HydrophobicContact CB-CE1 3.36Å; N494-F569 HydrophobicContact CB-CG 4.01Å; N494-F569 HydrophobicContact CB-CZ 4.03Å; R567-F569 HydrophobicContact CB-CE1 4.47Å; R567-F569 HydrophobicContact CB-CZ 4.35Å; R567-F569 WeakPolarHBondContact O-CD2 3.4Å; R567-F569 PolarHBondContact O-N 2.74Å; R567-F569 VanDerWaalsContact O-N 3.14Å
570	P	85.9	Confident	68	Low	59 Å²	59	74 Å²	74	38%	0.383	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-60.1	139.7	172.8	-18.6	30.7	0	0	0	110.8	M434 L495 E496	M434-P570 HydrophobicContact CE-CB 3.97Å; L495-P570 CarbonylContact C-O 3.59Å; L495-P570 VanDerWaalsContact CA-O 3.28Å; L495-P570 WeakPolarHBondContact CA-O 3.5Å; L495-P570 HydrophobicContact CD2-CB 3.8Å; L495-P570 HydrophobicContact CD2-CG 4.17Å; L495-P570 WeakPolarHBondContact CD2-O 3.44Å; E496-P570 PolarHBondContact N-O 2.94Å
571	T	88.4	Confident	71.4	Confident	76 Å²	76	70.5 Å²	70.5	47%	0.466	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	134	-174.4	-45	0	0	0	0	111.8	E496	E496-T571 HydrophobicContact CB-CG2 4.33Å; E496-T571 HydrophobicContact CG-CG2 4.23Å; E496-T571 CarbonylContact O-C 3.56Å; E496-T571 VanDerWaalsContact O-CA 3.28Å; E496-T571 WeakPolarHBondContact O-CA 3.16Å
572	F	93.6	Very high	74.7	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	121.9	164.6	-173.9	-89	0	0	0	109.4	M434 Q443 F447 I457 L459 E496 V497 T498 L499 A574	M434-F572 HydrophobicContact CG-CD2 3.87Å; M434-F572 HydrophobicContact SD-CB 3.91Å; M434-F572 HydrophobicContact SD-CD2 3.74Å; M434-F572 HydrophobicContact SD-CG 4.33Å; Q443-F572 HydrophobicContact CG-CD2 4.46Å; Q443-F572 HydrophobicContact CG-CE2 4.27Å; F447-F572 HydrophobicContact CE2-CD1 4.28Å; F447-F572 AromaticContact CE2-CE1 3.9Å; F447-F572 HydrophobicContact CE2-CE1 3.9Å; F447-F572 HydrophobicContact CE2-CZ 4.45Å; F447-F572 AromaticContact CZ-CD1 3.64Å; F447-F572 HydrophobicContact CZ-CD1 3.64Å; F447-F572 AromaticContact CZ-CE1 3.74Å; F447-F572 HydrophobicContact CZ-CE1 3.74Å; F447-F572 HydrophobicContact CZ-CG 4.36Å; I457-F572 HydrophobicContact CB-CE1 4.14Å; I457-F572 HydrophobicContact CB-CZ 3.94Å; I457-F572 HydrophobicContact CG2-CE1 4.06Å; I457-F572 HydrophobicContact CG2-CZ 3.87Å; L459-F572 HydrophobicContact CD1-CD2 4.43Å; L459-F572 HydrophobicContact CD1-CE1 4.18Å; L459-F572 HydrophobicContact CD1-CE2 3.75Å; L459-F572 HydrophobicContact CD1-CZ 3.61Å; L459-F572 HydrophobicContact CG-CZ 4.29Å; E496-F572 PolarHBondContact O-N 2.55Å; V497-F572 WeakPolarHBondContact CA-O 3.28Å; T498-F572 PolarHBondContact N-O 3.37Å; L499-F572 HydrophobicContact CD2-CD1 4.03Å; L499-F572 HydrophobicContact CD2-CE1 3.88Å; F572-A574 HydrophobicContact CE1-CB 4.25Å
573	S	92.4	Very high	78	Confident	52 Å²	52	59.8 Å²	59.8	36%	0.364	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	114.3	-175.4	-173.6	0	0	0	0	111.3	L459 T498 L575	L459-S573 WeakPolarHBondContact CD1-O 3.24Å; T498-S573 WeakPolarHBondContact O-CA 3.33Å; S573-L575 PolarHBondContact O-N 2.92Å
574	A	94.5	Very high	81.3	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.282	C	S	.	.			trans	-97.8	38.4	-178.4	0	0	0	0	0	112.8	I457 L459 T498 L499 P500 F572 R576 F578	I457-A574 HydrophobicContact CG2-CB 4.09Å; L459-A574 HydrophobicContact CD2-CB 4.46Å; T498-A574 PolarHBondContact O-N 3.04Å; L499-A574 HydrophobicContact CD2-CB 3.64Å; P500-A574 VanDerWaalsContact CD-O 3.32Å; P500-A574 WeakPolarHBondContact CD-O 3.45Å; F572-A574 HydrophobicContact CE1-CB 4.25Å; A574-R576 PolarHBondContact O-N 2.82Å; A574-F578 HydrophobicContact CB-CD1 4Å; A574-F578 HydrophobicContact CB-CE1 4.09Å
575	L	92.3	Very high	84.4	Confident	29 Å²	29	49.1 Å²	49.1	15%	0.152	26%	0.261	C	S	.	.			trans	-92	34.5	-177.6	-59.7	-174.8	0	0	0	113.8	F412 V413 V422 L424 T498 P500 S573	F412-L575 WeakPolarHBondContact CA-O 3.46Å; V413-L575 PolarHBondContact N-O 2.91Å; V422-L575 HydrophobicContact CG2-CD2 4.49Å; L424-L575 HydrophobicContact CD2-CD1 4.06Å; L424-L575 HydrophobicContact CD2-CD2 3.47Å; L424-L575 VanDerWaalsContact CD2-CD2 3.47Å; L424-L575 HydrophobicContact CD2-CG 4.39Å; T498-L575 HydrophobicContact CG2-CD1 3.79Å; T498-L575 HydrophobicContact CG2-CD2 4.35Å; T498-L575 HydrophobicContact CG2-CG 4.14Å; P500-L575 HydrophobicContact CB-CD2 4.3Å; S573-L575 PolarHBondContact O-N 2.92Å
576	R	92.4	Very high	87.3	Confident	65 Å²	65	43.6 Å²	43.6	25%	0.245	24%	0.238	C	C	.	.	S	Bend	trans	-151.9	164	174.7	67.4	179.2	-173.9	-151.4	13.5	108.4	L459 P460 F461 N463 A574 F578	L459-R576 HydrophobicContact CD2-CG 3.84Å; P460-R576 PolarHBondContact O-NH2 2.84Å; F461-R576 PolarHBondContact O-NH2 3.06Å; N463-R576 WeakPolarHBondContact OD1-CB 3.2Å; N463-R576 WeakPolarHBondContact OD1-CD 3.49Å; A574-R576 PolarHBondContact O-N 2.82Å; R576-F578 WeakPolarHBondContact O-CD1 3.1Å; R576-F578 PolarHBondContact O-N 2.73Å
577	P	94.9	Very high	89.5	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.197	C	C	.	.			trans	-50.4	137.3	-179.3	-32.4	36	0	0	0	114.9	F412 V413 F415 M596 L597	F412-P577 HydrophobicContact CE1-CG 4.25Å; F412-P577 HydrophobicContact CZ-CG 4.29Å; V413-P577 WeakPolarHBondContact O-CD 3.41Å; F415-P577 HydrophobicContact CD1-CG 4.04Å; F415-P577 HydrophobicContact CD2-CB 4.2Å; F415-P577 HydrophobicContact CD2-CG 3.88Å; F415-P577 HydrophobicContact CE1-CB 3.94Å; F415-P577 HydrophobicContact CE1-CG 3.88Å; F415-P577 HydrophobicContact CE2-CB 3.53Å; F415-P577 HydrophobicContact CE2-CG 3.73Å; F415-P577 HydrophobicContact CG-CG 4.03Å; F415-P577 HydrophobicContact CZ-CB 3.37Å; F415-P577 HydrophobicContact CZ-CG 3.72Å; P577-M596 CarbonylContact C-O 3.59Å; P577-M596 WeakPolarHBondContact CA-O 3.45Å; P577-M596 WeakPolarHBondContact CB-O 2.95Å; P577-L597 HydrophobicContact CB-CD2 3.92Å
578	F	95.9	Very high	91.4	Very high	1 Å²	1	30.2 Å²	30.2	0%	0.004	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	161.8	-174.7	64.2	-100.5	0	0	0	112	F412 I457 L458 L459 P500 V502 A574 R576 L580 M596	F412-F578 HydrophobicContact CE2-CD1 4.47Å; F412-F578 HydrophobicContact CE2-CE1 4.3Å; I457-F578 HydrophobicContact CG2-CB 4.09Å; I457-F578 HydrophobicContact CG2-CD2 3.77Å; I457-F578 HydrophobicContact CG2-CE2 4.33Å; I457-F578 HydrophobicContact CG2-CG 3.94Å; L458-F578 WeakPolarHBondContact O-CB 3.47Å; L459-F578 HydrophobicContact CD2-CB 3.78Å; L459-F578 HydrophobicContact CG-CB 4.46Å; P500-F578 HydrophobicContact CG-CE1 3.82Å; P500-F578 HydrophobicContact CG-CZ 4.25Å; V502-F578 HydrophobicContact CG2-CZ 4.24Å; A574-F578 HydrophobicContact CB-CD1 4Å; A574-F578 HydrophobicContact CB-CE1 4.09Å; R576-F578 WeakPolarHBondContact O-CD1 3.1Å; R576-F578 PolarHBondContact O-N 2.73Å; F578-L580 HydrophobicContact CD2-CB 4.36Å; F578-L580 HydrophobicContact CE2-CB 4.11Å; F578-L580 HydrophobicContact CE2-CD2 4.06Å; F578-M596 HydrophobicContact CD1-CB 4.06Å; F578-M596 HydrophobicContact CD1-CG 4.23Å; F578-M596 HydrophobicContact CD2-CB 4Å; F578-M596 HydrophobicContact CE1-CB 3.83Å; F578-M596 HydrophobicContact CE1-CG 3.65Å; F578-M596 HydrophobicContact CE2-CB 3.78Å; F578-M596 HydrophobicContact CE2-CG 4.31Å; F578-M596 HydrophobicContact CG-CB 4.14Å; F578-M596 HydrophobicContact CZ-CB 3.69Å; F578-M596 HydrophobicContact CZ-CG 3.7Å; F578-M596 HydrophobicContact CZ-SD 4.5Å; F578-M596 PolarHBondContact N-O 3.39Å; F578-M596 PolarHBondContact O-N 2.91Å
579	V	97.5	Very high	92.8	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	136.1	166.8	178.7	0	0	0	0	108.1	Y252 L458 L468 M471 E472 M475 G594 R595	Y252-V579 WeakPolarHBondContact OH-CG2 3.48Å; L458-V579 HydrophobicContact CB-CB 4.32Å; L458-V579 PolarHBondContact N-O 3.14Å; L458-V579 PolarHBondContact O-N 2.86Å; L468-V579 HydrophobicContact CD1-CG2 4.04Å; M471-V579 HydrophobicContact CE-CB 3.82Å; M471-V579 HydrophobicContact CE-CG2 3.4Å; E472-V579 HydrophobicContact CG-CG2 4.47Å; M475-V579 HydrophobicContact CE-CG1 3.92Å; M475-V579 HydrophobicContact SD-CG1 3.99Å; M475-V579 HydrophobicContact SD-CG2 4.43Å; V579-G594 CarbonylContact C-O 3.57Å; V579-G594 WeakPolarHBondContact CA-O 3.09Å; V579-G594 WeakPolarHBondContact CG1-O 3.44Å; V579-R595 HydrophobicContact CG2-CG 4.49Å
580	L	96	Very high	93.7	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	138	169.6	67	91.4	0	0	0	110.1	L265 L455 Y456 L504 L548 F578 G594	L265-L580 HydrophobicContact CD1-CD1 4.44Å; L455-L580 HydrophobicContact CD1-CB 4.26Å; L455-L580 HydrophobicContact CD1-CD1 4.45Å; Y456-L580 WeakPolarHBondContact O-CA 3.23Å; L504-L580 HydrophobicContact CD1-CD2 3.94Å; L548-L580 HydrophobicContact CD1-CD1 3.86Å; L548-L580 HydrophobicContact CD2-CD1 4.41Å; L548-L580 HydrophobicContact CD2-CD2 4.24Å; F578-L580 HydrophobicContact CD2-CB 4.36Å; F578-L580 HydrophobicContact CE2-CB 4.11Å; F578-L580 HydrophobicContact CE2-CD2 4.06Å; L580-G594 PolarHBondContact N-O 3.03Å; L580-G594 PolarHBondContact O-N 3.04Å
581	L	97.3	Very high	94	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	113	174.8	169.6	65	0	0	0	107.4	Y456 L458 V480 M483 I484 W583 P590 I593	Y456-L581 PolarHBondContact N-O 3.39Å; Y456-L581 PolarHBondContact O-N 2.86Å; L458-L581 HydrophobicContact CD1-CB 4.36Å; V480-L581 HydrophobicContact CG1-CD2 3.77Å; M483-L581 HydrophobicContact CE-CD2 3.95Å; I484-L581 HydrophobicContact CD1-CD2 4.07Å; L581-W583 HydrophobicContact CD1-CE3 4.23Å; L581-W583 HydrophobicContact CD2-CE3 4.12Å; L581-W583 HydrophobicContact CG-CE3 4.37Å; L581-P590 HydrophobicContact CD1-CB 3.75Å; L581-I593 HydrophobicContact CD1-CD1 4.4Å; L581-I593 HydrophobicContact CD1-CG1 3.81Å
582	L	95.3	Very high	94.3	Very high	2 Å²	2	15.5 Å²	15.5	1%	0.01	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	122	170.2	-177.5	68.7	0	0	0	108.4	F395 L449 L455 L591 F592	F395-L582 HydrophobicContact CB-CD2 3.95Å; F395-L582 HydrophobicContact CD1-CD1 4.43Å; F395-L582 HydrophobicContact CD1-CD2 3.38Å; F395-L582 HydrophobicContact CD2-CD2 3.61Å; F395-L582 HydrophobicContact CE1-CD1 3.94Å; F395-L582 HydrophobicContact CE1-CD2 3.66Å; F395-L582 HydrophobicContact CE1-CG 4.45Å; F395-L582 HydrophobicContact CE2-CD2 3.87Å; F395-L582 HydrophobicContact CG-CD2 3.34Å; F395-L582 HydrophobicContact CZ-CD1 4.07Å; F395-L582 HydrophobicContact CZ-CD2 3.88Å; L449-L582 HydrophobicContact CD1-CD1 3.38Å; L455-L582 HydrophobicContact CB-CD1 4.43Å; L455-L582 HydrophobicContact CD1-CB 4.36Å; L455-L582 HydrophobicContact CD1-CD1 4.39Å; L582-L591 HydrophobicContact CB-CB 4.47Å; L582-L591 HydrophobicContact CD2-CB 4.11Å; L582-L591 HydrophobicContact CD2-CD1 4.26Å; L582-L591 HydrophobicContact CG-CB 4.15Å; L582-L591 HydrophobicContact CG-CD1 4.31Å; L582-L591 PolarHBondContact O-N 3.34Å; L582-F592 HydrophobicContact CB-CB 4.05Å; L582-F592 HydrophobicContact CD2-CD2 3.92Å; L582-F592 PolarHBondContact N-O 3.49Å; L582-F592 PolarHBondContact O-N 3.24Å
583	W	95.6	Very high	94.5	Very high	1 Å²	1	15.5 Å²	15.5	0%	0.004	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	140.7	-175.3	-167.3	-92.8	0	0	0	109.9	T245 N453 S454 Y456 V480 I484 L581 D588 P590	T245-W583 HydrophobicContact CG2-CH2 4.12Å; T245-W583 HydrophobicContact CG2-CZ3 4.26Å; N453-W583 CarbonylContact C-O 3.01Å; N453-W583 VanDerWaalsContact CA-O 3.25Å; N453-W583 WeakPolarHBondContact CA-O 3Å; N453-W583 WeakPolarHBondContact CB-O 3.42Å; S454-W583 PolarHBondContact N-O 3.43Å; S454-W583 PolarHBondContact O-N 3.4Å; Y456-W583 HydrophobicContact CD2-CB 4Å; Y456-W583 HydrophobicContact CE2-CB 3.68Å; Y456-W583 HydrophobicContact CE2-CG 4.26Å; V480-W583 HydrophobicContact CG1-CZ3 4.37Å; I484-W583 HydrophobicContact CD1-CB 4.39Å; I484-W583 HydrophobicContact CD1-CD2 3.87Å; I484-W583 HydrophobicContact CD1-CE3 4.02Å; I484-W583 HydrophobicContact CD1-CG 4.05Å; I484-W583 HydrophobicContact CG1-CD2 4.09Å; I484-W583 HydrophobicContact CG1-CE3 4.11Å; I484-W583 HydrophobicContact CG1-CH2 4.38Å; I484-W583 HydrophobicContact CG1-CZ2 4.34Å; I484-W583 HydrophobicContact CG1-CZ3 4.25Å; I484-W583 HydrophobicContact CG2-CZ2 4.38Å; L581-W583 HydrophobicContact CD1-CE3 4.23Å; L581-W583 HydrophobicContact CD2-CE3 4.12Å; L581-W583 HydrophobicContact CG-CE3 4.37Å; W583-D588 VanDerWaalsContact CZ2-C 3.4Å; W583-D588 VanDerWaalsContact CZ2-O 3.27Å; W583-D588 WeakPolarHBondContact CZ2-O 3.43Å; W583-D588 PolarHBondContact NE1-OD1 3.35Å; W583-P590 HydrophobicContact CE3-CB 4.02Å; W583-P590 HydrophobicContact CZ3-CB 3.97Å; W583-P590 HydrophobicContact CZ3-CG 4.2Å
584	S	94.3	Very high	94.6	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	116.7	165.7	178.8	0	0	0	0	108.6	Q586 A587 D588 V589	S584-Q586 PolarHBondContact O-N 2.95Å; S584-Q586 PolarHBondContact OG-N 2.81Å; S584-A587 PolarHBondContact OG-N 2.96Å; S584-A587 VanDerWaalsContact OG-N 3.09Å; S584-D588 VanDerWaalsContact O-CA 3.24Å; S584-D588 WeakPolarHBondContact O-CA 3.48Å; S584-D588 PolarHBondContact O-N 3.49Å; S584-V589 PolarHBondContact N-O 3.11Å; S584-V589 VanDerWaalsContact N-O 3.1Å
585	D	92.6	Very high	94.6	Very high	42 Å²	42	13.1 Å²	13.1	23%	0.225	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-19.6	175.3	-62	-71.8	0	0	0	111.6	R446 D452 N453 S454	R446-D585 IonicContact CZ-OD1 3.7Å; R446-D585 IonicContact NH2-OD1 3.44Å; R446-D585 PolarHBondContact NH2-OD1 3.37Å; R446-D585 IonicContact NH2-OD2 3.53Å; D452-D585 PolarHBondContact O-N 3Å; N453-D585 WeakPolarHBondContact CA-OD2 3.19Å; S454-D585 VanDerWaalsContact CB-OD2 3.28Å; S454-D585 WeakPolarHBondContact CB-OD2 3.28Å; S454-D585 PolarHBondContact N-OD2 3.43Å; S454-D585 PolarHBondContact OG-OD1 3.46Å; S454-D585 PolarHBondContact OG-OD2 2.88Å
586	Q	90.8	Very high	94.7	Very high	89 Å²	89	11.8 Å²	11.8	42%	0.416	6%	0.055	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-41	178	-175.8	-178.2	2.7	0	0	113.8	K313 D452 S584	K313-Q586 HydrophobicContact CB-CG 4.33Å; K313-Q586 PolarHBondContact O-OE1 3.27Å; D452-Q586 HydrophobicContact CB-CB 4.06Å; D452-Q586 PolarHBondContact O-N 3.49Å; S584-Q586 PolarHBondContact O-N 2.95Å; S584-Q586 PolarHBondContact OG-N 2.81Å
587	A	92.1	Very high	94.7	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-13.1	179.5	0	0	0	0	0	112.8	Q241 Q310 K313 M314 S584 V589	Q241-A587 PolarHBondContact NE2-O 2.92Å; Q310-A587 VanDerWaalsContact OE1-CB 3.28Å; Q310-A587 PolarHBondContact OE1-O 2.83Å; K313-A587 HydrophobicContact CB-CB 4.09Å; M314-A587 HydrophobicContact CG-CB 3.65Å; M314-A587 HydrophobicContact SD-CB 4.32Å; S584-A587 PolarHBondContact OG-N 2.96Å; S584-A587 VanDerWaalsContact OG-N 3.09Å; A587-V589 HydrophobicContact CB-CG2 3.76Å; A587-V589 PolarHBondContact O-N 3.13Å
588	D	94.3	Very high	94.3	Very high	44 Å²	44	13.9 Å²	13.9	24%	0.235	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	47.2	-176.6	-144.5	44.4	0	0	0	114.7	K488 W583 S584	K488-D588 IonicContact NZ-OD1 3.7Å; K488-D588 PolarHBondContact NZ-OD1 3.38Å; K488-D588 IonicContact NZ-OD2 3.99Å; W583-D588 VanDerWaalsContact CZ2-C 3.4Å; W583-D588 VanDerWaalsContact CZ2-O 3.27Å; W583-D588 WeakPolarHBondContact CZ2-O 3.43Å; W583-D588 PolarHBondContact NE1-OD1 3.35Å; S584-D588 VanDerWaalsContact O-CA 3.24Å; S584-D588 WeakPolarHBondContact O-CA 3.48Å; S584-D588 PolarHBondContact O-N 3.49Å
589	V	95.1	Very high	93.3	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	153.8	-178.3	-70.1	0	0	0	0	112.7	Q241 M244 M314 S584 A587 L591	Q241-V589 HydrophobicContact CB-CG1 4.29Å; Q241-V589 HydrophobicContact CG-CG1 3.99Å; M244-V589 HydrophobicContact CB-CG1 4.04Å; M244-V589 HydrophobicContact CE-CB 3.97Å; M244-V589 HydrophobicContact CE-CG1 3.87Å; M244-V589 HydrophobicContact CE-CG2 4Å; M244-V589 HydrophobicContact SD-CG1 3.94Å; M314-V589 HydrophobicContact SD-CG2 4Å; S584-V589 PolarHBondContact N-O 3.11Å; S584-V589 VanDerWaalsContact N-O 3.1Å; A587-V589 HydrophobicContact CB-CG2 3.76Å; A587-V589 PolarHBondContact O-N 3.13Å; V589-L591 HydrophobicContact CG2-CD2 4.38Å; V589-L591 PolarHBondContact O-N 3.14Å
590	P	95.9	Very high	93.1	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.006	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	115	176	30.2	-35.1	0	0	0	111.6	A248 P268 L581 W583	A248-P590 HydrophobicContact CB-CB 4.17Å; A248-P590 HydrophobicContact CB-CG 3.42Å; A248-P590 VanDerWaalsContact CB-CG 3.42Å; P268-P590 HydrophobicContact CB-CG 4.47Å; P268-P590 HydrophobicContact CG-CB 4.3Å; P268-P590 HydrophobicContact CG-CG 4.34Å; L581-P590 HydrophobicContact CD1-CB 3.75Å; W583-P590 HydrophobicContact CE3-CB 4.02Å; W583-P590 HydrophobicContact CZ3-CB 3.97Å; W583-P590 HydrophobicContact CZ3-CG 4.2Å
591	L	93.9	Very high	93	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	-46.2	177.5	-55.8	-170.6	0	0	0	112	S267 V269 M314 L318 F395 N453 L582 V589	S267-L591 VanDerWaalsContact CA-O 3.32Å; S267-L591 WeakPolarHBondContact CA-O 3.47Å; S267-L591 VanDerWaalsContact CB-O 3.28Å; S267-L591 WeakPolarHBondContact CB-O 3.43Å; S267-L591 PolarHBondContact OG-O 3.3Å; V269-L591 HydrophobicContact CG1-CD2 4.22Å; M314-L591 HydrophobicContact CG-CD2 4.1Å; M314-L591 HydrophobicContact SD-CD2 3.38Å; M314-L591 WeakPolarHBondContact SD-CD2 3.36Å; L318-L591 HydrophobicContact CD2-CD2 4.31Å; F395-L591 HydrophobicContact CD2-CD1 4.4Å; F395-L591 HydrophobicContact CE2-CD1 4.21Å; N453-L591 WeakPolarHBondContact OD1-CD1 3.27Å; L582-L591 HydrophobicContact CB-CB 4.47Å; L582-L591 HydrophobicContact CD2-CB 4.11Å; L582-L591 HydrophobicContact CD2-CD1 4.26Å; L582-L591 HydrophobicContact CG-CB 4.15Å; L582-L591 HydrophobicContact CG-CD1 4.31Å; L582-L591 PolarHBondContact O-N 3.34Å; V589-L591 HydrophobicContact CG2-CD2 4.38Å; V589-L591 PolarHBondContact O-N 3.14Å
592	F	94.2	Very high	92.7	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	144.2	177.8	-74.8	-111.3	0	0	0	110	L265 F266 L318 V393 F395 A546 L548 L582	L265-F592 HydrophobicContact CD1-CD1 4.03Å; L265-F592 HydrophobicContact CG-CD1 4.28Å; F266-F592 WeakPolarHBondContact O-CA 3.25Å; L318-F592 HydrophobicContact CD1-CE2 3.74Å; V393-F592 HydrophobicContact CB-CZ 4.3Å; V393-F592 HydrophobicContact CG1-CE1 4.08Å; V393-F592 HydrophobicContact CG1-CZ 3.85Å; V393-F592 HydrophobicContact CG2-CE2 4.02Å; V393-F592 HydrophobicContact CG2-CZ 3.73Å; F395-F592 HydrophobicContact CB-CD2 4.24Å; F395-F592 HydrophobicContact CB-CE2 3.62Å; F395-F592 HydrophobicContact CB-CZ 4.05Å; A546-F592 HydrophobicContact CB-CD1 4.28Å; A546-F592 HydrophobicContact CB-CE1 3.87Å; L548-F592 HydrophobicContact CD1-CB 4.18Å; L548-F592 HydrophobicContact CD1-CD1 4.37Å; L548-F592 HydrophobicContact CD1-CG 4.31Å; L582-F592 HydrophobicContact CB-CB 4.05Å; L582-F592 HydrophobicContact CD2-CD2 3.92Å; L582-F592 PolarHBondContact N-O 3.49Å; L582-F592 PolarHBondContact O-N 3.24Å
593	I	96.9	Very high	92.6	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	132.8	167.2	-59	176.5	0	0	0	107.1	A248 M249 Y252 L265 F266 P268 L581	A248-I593 HydrophobicContact CB-CD1 3.84Å; M249-I593 HydrophobicContact CE-CD1 3.44Å; M249-I593 VanDerWaalsContact CE-CD1 3.44Å; M249-I593 HydrophobicContact SD-CD1 4.38Å; Y252-I593 HydrophobicContact CD2-CG2 3.67Å; Y252-I593 HydrophobicContact CE2-CG2 3.97Å; Y252-I593 HydrophobicContact CG-CG2 4.12Å; L265-I593 WeakPolarHBondContact CA-O 3.31Å; F266-I593 HydrophobicContact CE1-CB 3.83Å; F266-I593 HydrophobicContact CE1-CG2 4.18Å; F266-I593 HydrophobicContact CZ-CB 3.95Å; F266-I593 HydrophobicContact CZ-CD1 4.11Å; F266-I593 HydrophobicContact CZ-CG1 4.45Å; F266-I593 PolarHBondContact N-O 2.89Å; F266-I593 VanDerWaalsContact N-O 3.08Å; F266-I593 PolarHBondContact O-N 2.9Å; P268-I593 HydrophobicContact CG-CD1 3.98Å; P268-I593 HydrophobicContact CG-CG1 4.08Å; L581-I593 HydrophobicContact CD1-CD1 4.4Å; L581-I593 HydrophobicContact CD1-CG1 3.81Å
594	G	95.1	Very high	92.4	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	156.5	175.3	0	0	0	0	0	112.4	I264 V579 L580	I264-G594 CarbonylContact O-C 3.59Å; I264-G594 WeakPolarHBondContact O-CA 3.43Å; V579-G594 CarbonylContact C-O 3.57Å; V579-G594 WeakPolarHBondContact CA-O 3.09Å; V579-G594 WeakPolarHBondContact CG1-O 3.44Å; L580-G594 PolarHBondContact N-O 3.03Å; L580-G594 PolarHBondContact O-N 3.04Å
595	R	95.1	Very high	92.3	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.008	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	126.1	172.7	-175.4	176.5	73	-172.1	-1.1	109.3	E259 P260 S262 N263 I264 L468 E472 V579 L597	E259-R595 PolarHBondContact O-NH2 3.45Å; P260-R595 PolarHBondContact O-NH2 3.17Å; S262-R595 PolarHBondContact O-NE 3.1Å; S262-R595 PolarHBondContact O-NH2 2.87Å; N263-R595 WeakPolarHBondContact CA-O 3.13Å; I264-R595 HydrophobicContact CB-CB 4.04Å; I264-R595 PolarHBondContact N-O 3.42Å; I264-R595 VanDerWaalsContact N-O 3.11Å; I264-R595 PolarHBondContact O-N 2.82Å; L468-R595 HydrophobicContact CD2-CG 4.47Å; E472-R595 WeakPolarHBondContact OE1-CD 3.26Å; E472-R595 IonicContact OE1-CZ 2.75Å; E472-R595 IonicContact OE1-NE 3.61Å; E472-R595 IonicContact OE1-NH1 2.64Å; E472-R595 PolarHBondContact OE1-NH1 3.03Å; E472-R595 IonicContact OE2-NH1 2.64Å; V579-R595 HydrophobicContact CG2-CG 4.49Å; R595-L597 HydrophobicContact CG-CD2 3.75Å; R595-L597 HydrophobicContact CG-CG 4.13Å
596	M	93.2	Very high	92.3	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.005	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	104.5	-179.8	-171.2	83	-87.8	0	0	108.4	N263 F412 V502 L504 P577 F578 E598	N263-M596 VanDerWaalsContact ND2-CE 3.34Å; N263-M596 WeakPolarHBondContact ND2-CE 3.03Å; N263-M596 WeakPolarHBondContact OD1-CE 3.15Å; F412-M596 HydrophobicContact CE2-CG 4.41Å; F412-M596 HydrophobicContact CZ-CG 4.36Å; V502-M596 HydrophobicContact CB-SD 4.15Å; V502-M596 HydrophobicContact CG1-SD 3.46Å; V502-M596 WeakPolarHBondContact CG1-SD 3.4Å; V502-M596 HydrophobicContact CG2-CG 4.5Å; V502-M596 HydrophobicContact CG2-SD 3.57Å; V502-M596 VanDerWaalsContact CG2-SD 3.57Å; L504-M596 HydrophobicContact CD2-CE 3.82Å; L504-M596 HydrophobicContact CD2-SD 4.46Å; P577-M596 CarbonylContact C-O 3.59Å; P577-M596 WeakPolarHBondContact CA-O 3.45Å; P577-M596 WeakPolarHBondContact CB-O 2.95Å; F578-M596 HydrophobicContact CD1-CB 4.06Å; F578-M596 HydrophobicContact CD1-CG 4.23Å; F578-M596 HydrophobicContact CD2-CB 4Å; F578-M596 HydrophobicContact CE1-CB 3.83Å; F578-M596 HydrophobicContact CE1-CG 3.65Å; F578-M596 HydrophobicContact CE2-CB 3.78Å; F578-M596 HydrophobicContact CE2-CG 4.31Å; F578-M596 HydrophobicContact CG-CB 4.14Å; F578-M596 HydrophobicContact CZ-CB 3.69Å; F578-M596 HydrophobicContact CZ-CG 3.7Å; F578-M596 HydrophobicContact CZ-SD 4.5Å; F578-M596 PolarHBondContact N-O 3.39Å; F578-M596 PolarHBondContact O-N 2.91Å; M596-E598 VanDerWaalsContact CE-C 3.45Å; M596-E598 WeakPolarHBondContact CE-O 3.45Å
597	L	92.4	Very high	92.4	Very high	10 Å²	10	16.7 Å²	16.7	5%	0.052	9%	0.089	C	C	.	.	S	Bend	trans	-104.5	-38.9	171	-53.9	-170	0	0	0	111.2	L261 S262 N263 F412 F415 L468 P577 R595	L261-L597 VanDerWaalsContact C-CD1 3.47Å; S262-L597 WeakPolarHBondContact O-CD1 3.33Å; N263-L597 PolarHBondContact OD1-N 2.81Å; F412-L597 WeakPolarHBondContact CE1-O 3.38Å; F415-L597 HydrophobicContact CD2-CD2 4.49Å; F415-L597 HydrophobicContact CE2-CD2 3.91Å; L468-L597 HydrophobicContact CD2-CD2 3.55Å; P577-L597 HydrophobicContact CB-CD2 3.92Å; R595-L597 HydrophobicContact CG-CD2 3.75Å; R595-L597 HydrophobicContact CG-CG 4.13Å
598	E	86.3	Confident	92.4	Very high	99 Å²	99	18.1 Å²	18.1	46%	0.463	10%	0.097	S	C	.	.			trans	-131.8	110.6	-176.7	-52.6	-142.2	146.9	0	0	111.4	N263 K414 M596	N263-E598 PolarHBondContact ND2-O 3.34Å; N263-E598 PolarHBondContact OD1-N 2.71Å; K414-E598 HydrophobicContact CD-CG 4.42Å; K414-E598 WeakPolarHBondContact CD-OE1 3.43Å; K414-E598 VanDerWaalsContact CE-CD 3.43Å; K414-E598 VanDerWaalsContact CE-OE1 3.29Å; K414-E598 WeakPolarHBondContact CE-OE1 3.45Å; K414-E598 IonicContact NZ-OE1 2.74Å; K414-E598 PolarHBondContact NZ-OE1 2.65Å; K414-E598 IonicContact NZ-OE2 3.14Å; K414-E598 PolarHBondContact NZ-OE2 2.8Å; M596-E598 VanDerWaalsContact CE-C 3.45Å; M596-E598 WeakPolarHBondContact CE-O 3.45Å
599	P	76.6	Confident	92.2	Very high	60 Å²	60	15.7 Å²	15.7	39%	0.39	8%	0.084	S	C	.	.			trans	-79.4	0	-167.3	34.6	-39.9	0	0	0	115.5	F412 V422	F412-P599 HydrophobicContact CB-CG 3.9Å; F412-P599 HydrophobicContact CD1-CG 3.72Å; F412-P599 HydrophobicContact CD2-CB 4.3Å; F412-P599 HydrophobicContact CD2-CG 4.13Å; F412-P599 HydrophobicContact CE1-CG 4.23Å; F412-P599 HydrophobicContact CG-CB 4.33Å; F412-P599 HydrophobicContact CG-CG 3.66Å; V422-P599 HydrophobicContact CG1-CB 3.82Å; V422-P599 HydrophobicContact CG1-CG 3.47Å; V422-P599 VanDerWaalsContact CG1-CG 3.47Å

Retrieved 599 of 599 residues in 1059.1 ms (Link to these results)

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