A0A087XLJ1_POEFO Loading...

Phospholipase

AlphaFold DB , UniProt , Accession A0A087XLJ1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 957 aa.

						>A0A087XLJ1_POEFO|A0A087XLJ1
MSGPDDEIEPAAVSSAVPRLNKRRFSHDRYDLKLDELDSLLKTTEGRPFTVIHRLPEIKEMDLPYLMPGTPITCNVDNTEKHTSRSKVRIRNLYTVKLTHGPFHWVVKRKYKHFQELHRDLYKHKMILHFMPTRRRSEKERQQLRLMSEEMPSLHGTERARGASSKTKYLEEYLNDLLENGFCRNDRSMLEFLSVGALSFVTELGPKGLEGPIIKRSGGHRVLGLNCIGHHRVCFSWSHRWLVVKDSFLLYMSRDNSEINFVLLFDPEFEVKVGSAETGTEYGVCIKNFTRRDLIIKCRSYRQSQWWTHEINQLAQSCDFLKVHRFQGFAPPREDTLTKWYVNGKDYFADLADALEEAKQEIFITDWWLSPEIFLKRPATDNRWRLDEILKRKAEKGVKVCVLLYKEVEMALGINSDYSKRTLMNMHPNIKVMRHPDHVSSTVVLWAHHEKMVAIDQTVAFVGGLDLAFGRWDDREYRLADLGQAEMLNGDTGEHPNKDDNGVADGKNAGNQTKQDHTNLAGNTKLWLGKDYSNFIKKDWTLLDRPFEADNIDRTEVPRMPWRDLSTAVHGKAARDVARHFIQRWNFTKIFKVKYKDNFYPYLLPKSHTEADLLPFIVPGSQKAKVQVLRSSERWSTGSCENSILQAYIHTIENSEHYIYIENQFFISCAEDKVVQNKIGDAIVDRILRAHREQKTYRVFVVIPLLPGFEGDITTGGGNAIQAIMHFTYRERTMCRGDHSILSRLREVKDQWTEYITFCGLRTHSRLSEKLVTELIYVHSKALIADDRRYIIGSANINDRSMLGSRDSELAVLVEDEERVPSVMGGQEYEAGPLALALRKECFRVLTGATSDPSINIDDPISDDFFFLTWNETAKRNAIIYDKVFRCLPCNSVHNLLLLKNYGSLERLCDTDPEQAAEELKAIRGLLVHFPLKFLCEENLQPPLNSKEGMAPTDLWT
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	29.3	Very low	28.2	Very low	251 Å²	251	147.5 Å²	147.5	100%	1.236	86%	0.855	S	S	*	*				0	176.7	0	-80.7	176.1	165	0	0	108.3
2	S	27.5	Very low	28	Very low	122 Å²	122	143.5 Å²	143.5	85%	0.853	85%	0.852	S	S	*	*			trans	-86.1	148.6	-174	46.6	0	0	0	0	114.1
3	G	30	Very low	27.7	Very low	70 Å²	70	143 Å²	143	72%	0.722	85%	0.85	S	S	*	*			trans	81.1	167.8	170.4	0	0	0	0	0	115.3
4	P	41.1	Very low	27.5	Very low	129 Å²	129	140.8 Å²	140.8	84%	0.838	85%	0.845	S	S	*	*			cis	-110	-166	7	42.1	-33.2	0	0	0	114.1
5	D	28.8	Very low	27.3	Very low	145 Å²	145	138.2 Å²	138.2	78%	0.775	84%	0.837	S	S	*	*			trans	-98.9	-170.1	-166.3	-51.1	-92	0	0	0	115.2
6	D	26.8	Very low	27.1	Very low	150 Å²	150	135.1 Å²	135.1	80%	0.802	83%	0.83	S	S	*	*			trans	66.6	105.8	161.3	-64.8	-25.9	0	0	0	121.1
7	E	26.6	Very low	27.1	Very low	203 Å²	203	134.5 Å²	134.5	95%	0.949	83%	0.826	S	S	*	*				-147.4	161.6	125.6	-133.7	172	-146.9	0	0	110.7
8	I	27.2	Very low	27	Very low	151 Å²	151	133.1 Å²	133.1	77%	0.774	82%	0.819	S	S	*	*			trans	-121.4	132.2	-151.4	-62.2	163.3	0	0	0	113.1
9	E	25.1	Very low	26.9	Very low	182 Å²	182	138.9 Å²	138.9	85%	0.85	83%	0.825	S	S	*	*			trans	-110.6	146.6	160.9	-80.8	-160.9	142.5	0	0	112.3
10	P	25.1	Very low	26.9	Very low	121 Å²	121	140.4 Å²	140.4	79%	0.786	83%	0.827	S	S	*	*			trans	-82.1	153.5	-168	32.2	-36.4	0	0	0	115.1	A12	P10-A12 PolarHBondContact O-N 3.11Å
11	A	22.7	Very low	26.9	Very low	99 Å²	99	140.6 Å²	140.6	82%	0.818	83%	0.825	S	S	*	*			trans	-71	119.4	-171.9	0	0	0	0	0	114.8	V13	A11-V13 PolarHBondContact O-N 2.99Å
12	A	25.3	Very low	27	Very low	99 Å²	99	138.4 Å²	138.4	82%	0.818	81%	0.808	S	S	*	*			trans	-75.9	115.4	162.7	0	0	0	0	0	110.5	P10 S14	P10-A12 PolarHBondContact O-N 3.11Å; A12-S14 PolarHBondContact O-N 2.59Å; A12-S14 VanDerWaalsContact O-N 3.09Å
13	V	24.9	Very low	27.4	Very low	137 Å²	137	143.1 Å²	143.1	83%	0.83	81%	0.808	S	S	*	*			trans	-68.6	107.5	-179.1	178.8	0	0	0	0	110.5	A11 S15	A11-V13 PolarHBondContact O-N 2.99Å; V13-S15 PolarHBondContact O-N 3.36Å; V13-S15 VanDerWaalsContact O-N 3.11Å
14	S	24.2	Very low	27.8	Very low	112 Å²	112	150.4 Å²	150.4	78%	0.783	81%	0.813	S	S	*	*			trans	-73.2	101.7	175.3	-167.7	0	0	0	0	110.7	A12 A16	A12-S14 PolarHBondContact O-N 2.59Å; A12-S14 VanDerWaalsContact O-N 3.09Å; S14-A16 PolarHBondContact O-N 3.13Å
15	S	25.3	Very low	27.9	Very low	102 Å²	102	147.8 Å²	147.8	71%	0.713	79%	0.789	S	S	*	*			trans	-70	92.9	169.9	46.2	0	0	0	0	109.8	V13 V17	V13-S15 PolarHBondContact O-N 3.36Å; V13-S15 VanDerWaalsContact O-N 3.11Å; S15-V17 VanDerWaalsContact C-N 3.34Å; S15-V17 PolarHBondContact O-N 2.79Å
16	A	24.5	Very low	28.4	Very low	89 Å²	89	144.7 Å²	144.7	74%	0.736	78%	0.779	S	S	*	*			trans	-66.1	86.7	-177.5	0	0	0	0	0	111.9	S14 P18	S14-A16 PolarHBondContact O-N 3.13Å; A16-P18 WeakPolarHBondContact O-CD 3.31Å
17	V	26	Very low	29.3	Very low	125 Å²	125	143.4 Å²	143.4	76%	0.758	77%	0.768	S	S	*	*			trans	-53.3	119.8	171.7	178.9	0	0	0	0	108.7	S15 R19	S15-V17 VanDerWaalsContact C-N 3.34Å; S15-V17 PolarHBondContact O-N 2.79Å; V17-R19 PolarHBondContact O-N 3.23Å
18	P	25.6	Very low	30.1	Very low	109 Å²	109	136.9 Å²	136.9	71%	0.708	74%	0.739	S	S	*	*			trans	-57.4	126.6	-179.7	-26.4	35.2	0	0	0	110.4	A16 L20	A16-P18 WeakPolarHBondContact O-CD 3.31Å; P18-L20 VanDerWaalsContact C-N 3.27Å; P18-L20 PolarHBondContact O-N 3.29Å
19	R	24.3	Very low	30.8	Very low	244 Å²	244	139.7 Å²	139.7	92%	0.921	74%	0.74	S	S	*	*			trans	-65.4	90.1	173.7	-76.8	-176.2	174	179.6	0.1	109.1	V17 N21	V17-R19 PolarHBondContact O-N 3.23Å; R19-N21 PolarHBondContact O-N 2.64Å
20	L	28.4	Very low	31.8	Very low	167 Å²	167	137 Å²	137	87%	0.874	72%	0.723	S	S	*	*			trans	-47.8	114.3	175.1	-98.8	163.5	0	0	0	109.4	P18 K22	P18-L20 VanDerWaalsContact C-N 3.27Å; P18-L20 PolarHBondContact O-N 3.29Å; L20-K22 PolarHBondContact O-N 3.16Å
21	N	26.8	Very low	32.7	Very low	145 Å²	145	138.2 Å²	138.2	78%	0.775	72%	0.723	S	S	*	*			trans	-58	116	-172.5	-89.9	-53.1	0	0	0	110	R19 R23	R19-N21 PolarHBondContact O-N 2.64Å; N21-R23 HydrophobicContact CB-CG 4.49Å; N21-R23 PolarHBondContact O-N 3.22Å
22	K	30.8	Very low	34.1	Very low	205 Å²	205	136.5 Å²	136.5	89%	0.891	70%	0.699	S	S	*	*			trans	-69.2	69	165.8	-72.1	-177.5	178.8	175.3	0	109.2	L20 R24	L20-K22 PolarHBondContact O-N 3.16Å; K22-R24 PolarHBondContact O-N 2.63Å
23	R	34.9	Very low	35.6	Very low	222 Å²	222	138.7 Å²	138.7	84%	0.838	69%	0.69	S	S	*	*			trans	-56.7	104.8	165.1	-77.4	-172.8	172.7	-179.2	-1.3	106.5	N21 F25	N21-R23 HydrophobicContact CB-CG 4.49Å; N21-R23 PolarHBondContact O-N 3.22Å; R23-F25 PolarHBondContact O-N 2.63Å
24	R	38.8	Very low	37	Very low	223 Å²	223	137.8 Å²	137.8	84%	0.842	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-59.5	124.6	163.9	-71.9	177	171.2	169.9	-4.1	105.9	K22 S26	K22-R24 PolarHBondContact O-N 2.63Å; R24-S26 PolarHBondContact O-N 2.87Å
25	F	44	Very low	38.5	Very low	74 Å²	74	137.9 Å²	137.9	33%	0.325	67%	0.672	S	S	.	*	P	Polyproline II helix	trans	-52.4	136.8	165.8	-61.4	-82.9	0	0	0	107.9	R23 H27 M424 F599	R23-F25 PolarHBondContact O-N 2.63Å; F25-H27 PolarHBondContact O-N 3.32Å; F25-M424 HydrophobicContact CD1-CB 4.16Å; F25-M424 HydrophobicContact CD1-CE 3.93Å; F25-M424 HydrophobicContact CD2-CE 3.9Å; F25-M424 HydrophobicContact CE1-CB 3.78Å; F25-M424 HydrophobicContact CE1-CE 4.03Å; F25-M424 HydrophobicContact CE2-CE 4Å; F25-M424 HydrophobicContact CG-CE 3.87Å; F25-M424 HydrophobicContact CZ-CB 4.44Å; F25-M424 HydrophobicContact CZ-CE 4.07Å; F25-F599 HydrophobicContact CB-CE2 3.73Å; F25-F599 HydrophobicContact CB-CZ 3.78Å; F25-F599 HydrophobicContact CG-CZ 4.37Å
26	S	39.5	Very low	40.2	Very low	80 Å²	80	137.9 Å²	137.9	56%	0.559	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-54.5	134.5	-179.9	36.5	0	0	0	0	109.3	R24 F599	R24-S26 PolarHBondContact O-N 2.87Å; S26-F599 WeakPolarHBondContact O-CE2 3.41Å
27	H	44.8	Very low	42	Very low	123 Å²	123	134.1 Å²	134.1	57%	0.569	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-66.2	154.3	169.8	-69.9	17.5	0	0	0	108.9	F25 R29	F25-H27 PolarHBondContact O-N 3.32Å; H27-R29 PolarHBondContact O-N 3.5Å
28	D	44.2	Very low	43.6	Very low	65 Å²	65	130.8 Å²	130.8	35%	0.348	61%	0.606	S	S	.	*	S	Bend	trans	-64.8	84.6	178.7	-66.8	32.6	0	0	0	109.6	K399 K431	D28-K399 IonicContact OD2-NZ 3.71Å; D28-K399 PolarHBondContact OD2-NZ 2.72Å; D28-K431 IonicContact OD1-NZ 2.65Å; D28-K431 PolarHBondContact OD1-NZ 3.1Å; D28-K431 IonicContact OD2-NZ 3.8Å
29	R	41.5	Very low	45.4	Very low	211 Å²	211	129.5 Å²	129.5	80%	0.796	60%	0.6	S	S	*	*			trans	-119	74.5	165.1	-74.7	-167.4	176.3	-166.8	-3.8	107.9	H27	H27-R29 PolarHBondContact O-N 3.5Å
30	Y	45.5	Very low	47.2	Very low	126 Å²	126	120.1 Å²	120.1	49%	0.494	57%	0.568	S	S	.	*			trans	-96.6	94.7	161.5	-132.8	-91	0	0	0	105.6	L32 H427 P428	Y30-L32 PolarHBondContact O-N 2.78Å; Y30-H427 AromaticContact CD2-CE1 3.98Å; Y30-H427 AromaticContact CD2-NE2 3.85Å; Y30-H427 AromaticContact CE2-CE1 3.65Å; Y30-H427 AromaticContact CE2-NE2 3.09Å; Y30-H427 WeakPolarHBondContact CE2-NE2 2.93Å; Y30-H427 AromaticContact CZ-NE2 3.59Å; Y30-P428 HydrophobicContact CD2-CG 4.32Å
31	D	45.3	Very low	48.8	Very low	146 Å²	146	112.6 Å²	112.6	78%	0.781	53%	0.528	S	S	*	.			trans	-71.4	81	-175.5	-65.2	-24.1	0	0	0	109.5
32	L	50.7	Low	50.4	Low	62 Å²	62	111.1 Å²	111.1	33%	0.325	52%	0.515	S	S	.	.			trans	-61.5	139.7	172.2	-72.6	124.9	0	0	0	109.5	Y30 E36 R54	Y30-L32 PolarHBondContact O-N 2.78Å; L32-E36 WeakPolarHBondContact CD2-OE2 3.36Å; L32-R54 VanDerWaalsContact CD1-CZ 3.45Å
33	K	57	Low	52	Low	145 Å²	145	104.1 Å²	104.1	63%	0.63	49%	0.489	S	S	*	.			trans	-63.3	145.3	-179.9	-68.3	176.1	-178	171.4	0	110.4	D35 E36	K33-D35 PolarHBondContact O-N 3.44Å; K33-E36 PolarHBondContact O-N 3.39Å
34	L	54.3	Low	53.2	Low	119 Å²	119	97.6 Å²	97.6	62%	0.623	47%	0.474	S	S	*	.	H	α-helix	trans	-44.5	-44.2	-179.2	-153.6	91.8	0	0	0	112.1	E36 L37 D38 M61	L34-E36 PolarHBondContact O-N 2.99Å; L34-L37 PolarHBondContact O-N 2.97Å; L34-D38 WeakPolarHBondContact O-CB 3.44Å; L34-D38 PolarHBondContact O-N 2.82Å; L34-D38 VanDerWaalsContact O-N 3.07Å; L34-M61 HydrophobicContact CD1-CE 3.44Å; L34-M61 VanDerWaalsContact CD1-CE 3.44Å; L34-M61 HydrophobicContact CG-CE 3.97Å
35	D	55.4	Low	54.5	Low	114 Å²	114	94.5 Å²	94.5	61%	0.61	47%	0.469	S	S	*	.	H	α-helix	trans	-65.8	-33.2	-173.5	-42.7	-64.3	0	0	0	113.1	K33 S39	K33-D35 PolarHBondContact O-N 3.44Å; D35-S39 VanDerWaalsContact O-CB 3.26Å; D35-S39 WeakPolarHBondContact O-CB 3.42Å; D35-S39 PolarHBondContact O-N 3.41Å
36	E	61.9	Low	55.8	Low	101 Å²	101	91.3 Å²	91.3	47%	0.472	46%	0.457	S	S	.	.	H	α-helix	trans	-75.6	-39.3	-179.9	-70.1	177.2	-143.7	0	0	111.8	L32 K33 L34 L40	L32-E36 WeakPolarHBondContact CD2-OE2 3.36Å; K33-E36 PolarHBondContact O-N 3.39Å; L34-E36 PolarHBondContact O-N 2.99Å; E36-L40 WeakPolarHBondContact O-CG 3.45Å; E36-L40 PolarHBondContact O-N 3.32Å; E36-L40 VanDerWaalsContact O-N 3.14Å
37	L	63.1	Low	57.8	Low	11 Å²	11	87.7 Å²	87.7	6%	0.058	43%	0.431	C	S	.	.	H	α-helix	trans	-71.5	-37.7	176.5	-167.7	69.7	0	0	0	111.6	L34 L40 L41 R54 E57 I58 M61 L63	L34-L37 PolarHBondContact O-N 2.97Å; L37-L40 PolarHBondContact O-N 3.2Å; L37-L41 HydrophobicContact CG-CD1 4.33Å; L37-L41 WeakPolarHBondContact O-CD1 3.29Å; L37-L41 WeakPolarHBondContact O-CG 3.45Å; L37-L41 PolarHBondContact O-N 2.89Å; L37-R54 HydrophobicContact CD1-CB 4.38Å; L37-E57 HydrophobicContact CD2-CB 4.32Å; L37-I58 HydrophobicContact CD2-CG1 4.38Å; L37-M61 HydrophobicContact CD2-CE 4.07Å; L37-M61 HydrophobicContact CD2-SD 3.53Å; L37-M61 VanDerWaalsContact CD2-SD 3.53Å; L37-L63 HydrophobicContact CD2-CD1 3.68Å; L37-L63 HydrophobicContact CG-CD1 4.2Å
38	D	58.4	Low	59.7	Low	55 Å²	55	83.3 Å²	83.3	29%	0.294	41%	0.414	S	S	.	.	H	α-helix	trans	-65.4	-39.7	174.2	-173.8	25	0	0	0	111.4	L34 L40 L41 K42	L34-D38 WeakPolarHBondContact O-CB 3.44Å; L34-D38 PolarHBondContact O-N 2.82Å; L34-D38 VanDerWaalsContact O-N 3.07Å; D38-L40 PolarHBondContact O-N 3.44Å; D38-L41 PolarHBondContact O-N 2.93Å; D38-K42 WeakPolarHBondContact O-CG 3.47Å; D38-K42 PolarHBondContact O-N 2.82Å; D38-K42 WeakPolarHBondContact OD1-CE 3.47Å; D38-K42 IonicContact OD1-NZ 2.74Å; D38-K42 PolarHBondContact OD1-NZ 2.9Å; D38-K42 WeakPolarHBondContact OD2-CE 3.18Å; D38-K42 IonicContact OD2-NZ 2.72Å; D38-K42 PolarHBondContact OD2-NZ 3.01Å
39	S	64.7	Low	61.7	Low	81 Å²	81	80.2 Å²	80.2	57%	0.566	40%	0.398	S	S	*	.	H	α-helix	trans	-59.6	-42.9	172.2	-170.3	0	0	0	0	112.9	D35 L41 K42	D35-S39 VanDerWaalsContact O-CB 3.26Å; D35-S39 WeakPolarHBondContact O-CB 3.42Å; D35-S39 PolarHBondContact O-N 3.41Å; S39-L41 PolarHBondContact O-N 3.42Å; S39-L41 VanDerWaalsContact O-N 3.15Å; S39-K42 PolarHBondContact O-N 3.3Å
40	L	61.4	Low	63.7	Low	48 Å²	48	71.5 Å²	71.5	25%	0.251	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-13	177.3	-73	166.7	0	0	0	114.5	E36 L37 D38 P48 R54	E36-L40 WeakPolarHBondContact O-CG 3.45Å; E36-L40 PolarHBondContact O-N 3.32Å; E36-L40 VanDerWaalsContact O-N 3.14Å; L37-L40 PolarHBondContact O-N 3.2Å; D38-L40 PolarHBondContact O-N 3.44Å; L40-P48 HydrophobicContact CD2-CG 3.82Å; L40-P48 WeakPolarHBondContact O-CD 3.33Å; L40-R54 VanDerWaalsContact CD1-NH1 3.28Å
41	L	62.2	Low	65.5	Low	8 Å²	8	65.7 Å²	65.7	4%	0.042	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.4	-7.5	-175.9	-65.1	170.3	0	0	0	113.6	L37 D38 S39 R47 V51 I58 L63 P68	L37-L41 HydrophobicContact CG-CD1 4.33Å; L37-L41 WeakPolarHBondContact O-CD1 3.29Å; L37-L41 WeakPolarHBondContact O-CG 3.45Å; L37-L41 PolarHBondContact O-N 2.89Å; D38-L41 PolarHBondContact O-N 2.93Å; S39-L41 PolarHBondContact O-N 3.42Å; S39-L41 VanDerWaalsContact O-N 3.15Å; L41-R47 HydrophobicContact CD2-CG 4.47Å; L41-V51 HydrophobicContact CD2-CG2 4.01Å; L41-I58 HydrophobicContact CD1-CG1 4.34Å; L41-I58 HydrophobicContact CD2-CD1 4.4Å; L41-L63 HydrophobicContact CD1-CB 4.13Å; L41-L63 HydrophobicContact CD1-CD1 3.69Å; L41-L63 HydrophobicContact CD1-CG 4.35Å; L41-P68 WeakPolarHBondContact O-CD 3.42Å; L41-P68 WeakPolarHBondContact O-CG 3.45Å
42	K	60.7	Low	67.4	Low	115 Å²	115	59.2 Å²	59.2	50%	0.5	31%	0.311	S	S	.	.			trans	-87.3	0.3	178.7	-83.2	168	168.7	166.8	0	114.7	D38 S39 T44 P68	D38-K42 WeakPolarHBondContact O-CG 3.47Å; D38-K42 PolarHBondContact O-N 2.82Å; D38-K42 WeakPolarHBondContact OD1-CE 3.47Å; D38-K42 IonicContact OD1-NZ 2.74Å; D38-K42 PolarHBondContact OD1-NZ 2.9Å; D38-K42 WeakPolarHBondContact OD2-CE 3.18Å; D38-K42 IonicContact OD2-NZ 2.72Å; D38-K42 PolarHBondContact OD2-NZ 3.01Å; S39-K42 PolarHBondContact O-N 3.3Å; K42-T44 PolarHBondContact O-N 3.12Å; K42-P68 HydrophobicContact CG-CG 4.36Å
43	T	64.2	Low	69	Low	57 Å²	57	57.7 Å²	57.7	35%	0.35	30%	0.302	S	S	.	.			trans	-67.2	125.9	178.1	46.9	0	0	0	0	112	G46	T43-G46 VanDerWaalsContact CB-O 3.3Å; T43-G46 WeakPolarHBondContact CB-O 3.29Å; T43-G46 PolarHBondContact OG1-O 2.9Å
44	T	60.8	Low	70.1	Confident	86 Å²	86	52.5 Å²	52.5	53%	0.528	28%	0.278	S	S	.	.	S	Bend	trans	-77.2	-21.6	-177.2	43.5	0	0	0	0	114.2	K42 T70	K42-T44 PolarHBondContact O-N 3.12Å; T44-T70 PolarHBondContact O-OG1 3.2Å
45	E	66.1	Low	71.4	Confident	158 Å²	158	47.2 Å²	47.2	74%	0.738	25%	0.25	S	S	*	.	S	Bend	trans	-90.7	-12.6	-175.4	-62.1	178.2	163.7	0	0	113
46	G	70.8	Confident	72.7	Confident	7 Å²	7	44.4 Å²	44.4	7%	0.072	24%	0.239	C	C	.	.			trans	132.1	170.6	-178.2	0	0	0	0	0	112.7	T43	T43-G46 VanDerWaalsContact CB-O 3.3Å; T43-G46 WeakPolarHBondContact CB-O 3.29Å; T43-G46 PolarHBondContact OG1-O 2.9Å
47	R	81.8	Confident	73.4	Confident	3 Å²	3	42.7 Å²	42.7	1%	0.011	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-91.1	139.6	-172.1	-64.9	179.1	-179.6	-153.4	-11.2	111.8	L41 V51 P64 Y65 L66 F200 V201 T202	L41-R47 HydrophobicContact CD2-CG 4.47Å; R47-V51 HydrophobicContact CB-CG2 4.21Å; R47-P64 PolarHBondContact NH1-O 3.48Å; R47-P64 PolarHBondContact NH2-O 3.01Å; R47-Y65 PolarHBondContact NH2-O 2.82Å; R47-L66 PolarHBondContact NH2-O 3.08Å; R47-L66 VanDerWaalsContact NH2-O 3.1Å; R47-F200 WeakPolarHBondContact CB-O 3.25Å; R47-F200 PolarHBondContact N-O 3.46Å; R47-V201 HydrophobicContact CB-CG2 4.26Å; R47-V201 WeakPolarHBondContact O-CA 3.36Å; R47-T202 PolarHBondContact O-N 2.97Å; R47-T202 VanDerWaalsContact O-N 3.08Å; R47-T202 PolarHBondContact O-OG1 2.87Å
48	P	84	Confident	74.1	Confident	32 Å²	32	42.3 Å²	42.3	21%	0.208	23%	0.228	C	C	.	.			trans	-68	152.5	175	29.6	-34.4	0	0	0	111.3	L40 T50 V51	L40-P48 HydrophobicContact CD2-CG 3.82Å; L40-P48 WeakPolarHBondContact O-CD 3.33Å; P48-T50 PolarHBondContact O-N 2.85Å; P48-T50 VanDerWaalsContact O-N 3.14Å; P48-V51 HydrophobicContact CG-CG2 4.46Å; P48-V51 WeakPolarHBondContact O-CB 3.33Å; P48-V51 PolarHBondContact O-N 3Å
49	F	86.3	Confident	75	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-59.1	-27.4	-177.9	-174.2	-92.1	0	0	0	114.1	V51 I52 V201 E203 L204 E361 L604 K606	F49-V51 PolarHBondContact O-N 2.99Å; F49-I52 HydrophobicContact CD1-CD1 4.15Å; F49-I52 HydrophobicContact CD1-CG1 4.39Å; F49-I52 HydrophobicContact CE1-CD1 3.47Å; F49-I52 VanDerWaalsContact CE1-CD1 3.47Å; F49-I52 HydrophobicContact CE1-CG1 4.15Å; F49-I52 HydrophobicContact CE2-CD1 4.02Å; F49-I52 HydrophobicContact CZ-CD1 3.42Å; F49-I52 VanDerWaalsContact CZ-CD1 3.42Å; F49-I52 HydrophobicContact CZ-CG1 4.46Å; F49-I52 WeakPolarHBondContact O-CG1 3.45Å; F49-I52 WeakPolarHBondContact O-CG2 3.37Å; F49-I52 PolarHBondContact O-N 3.19Å; F49-V201 HydrophobicContact CB-CG1 4.48Å; F49-E203 HydrophobicContact CB-CB 3.98Å; F49-E203 HydrophobicContact CB-CG 4.25Å; F49-E203 WeakPolarHBondContact CB-OE1 3.34Å; F49-E203 HydrophobicContact CD2-CB 3.96Å; F49-E203 HydrophobicContact CG-CB 4.4Å; F49-E203 PolarHBondContact N-OE1 3.41Å; F49-E203 VanDerWaalsContact N-OE1 3.11Å; F49-L204 HydrophobicContact CD2-CD2 4.01Å; F49-L204 HydrophobicContact CD2-CG 4.31Å; F49-L204 HydrophobicContact CE2-CD2 3.6Å; F49-L204 HydrophobicContact CE2-CG 4.38Å; F49-E361 HydrophobicContact CE1-CG 4.34Å; F49-E361 WeakPolarHBondContact CE1-OE2 3.49Å; F49-L604 HydrophobicContact CZ-CB 4.49Å; F49-K606 HydrophobicContact CD2-CD 4.38Å; F49-K606 HydrophobicContact CD2-CG 3.83Å; F49-K606 HydrophobicContact CE2-CD 4.43Å; F49-K606 HydrophobicContact CE2-CG 3.54Å; F49-K606 HydrophobicContact CZ-CG 4.05Å
50	T	82.9	Confident	75.6	Confident	28 Å²	28	47.9 Å²	47.9	17%	0.172	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-55.9	-19.7	177.2	55.1	0	0	0	0	114.1	P48 I52 H53 Q360	P48-T50 PolarHBondContact O-N 2.85Å; P48-T50 VanDerWaalsContact O-N 3.14Å; T50-I52 VanDerWaalsContact C-N 3.25Å; T50-I52 PolarHBondContact O-N 2.68Å; T50-H53 PolarHBondContact O-N 3.25Å; T50-Q360 HydrophobicContact CG2-CB 4.16Å; T50-Q360 HydrophobicContact CG2-CG 3.86Å
51	V	82.8	Confident	76.1	Confident	3 Å²	3	49.2 Å²	49.2	2%	0.018	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-57.1	-31.9	171.5	163.4	0	0	0	0	113.2	L41 R47 P48 F49 H53 R54 I58 V201	L41-V51 HydrophobicContact CD2-CG2 4.01Å; R47-V51 HydrophobicContact CB-CG2 4.21Å; P48-V51 HydrophobicContact CG-CG2 4.46Å; P48-V51 WeakPolarHBondContact O-CB 3.33Å; P48-V51 PolarHBondContact O-N 3Å; F49-V51 PolarHBondContact O-N 2.99Å; V51-H53 PolarHBondContact O-N 3.42Å; V51-R54 PolarHBondContact O-N 2.84Å; V51-R54 VanDerWaalsContact O-N 3.16Å; V51-I58 HydrophobicContact CB-CD1 4.49Å; V51-I58 HydrophobicContact CG1-CD1 3.75Å; V51-I58 HydrophobicContact CG2-CD1 4.49Å; V51-V201 HydrophobicContact CG1-CG2 4.27Å
52	I	86.4	Confident	76.6	Confident	11 Å²	11	56 Å²	56	6%	0.056	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-64.5	-23.4	-180	79	171.5	0	0	0	112.7	F49 T50 L55 L198 L204 L604	F49-I52 HydrophobicContact CD1-CD1 4.15Å; F49-I52 HydrophobicContact CD1-CG1 4.39Å; F49-I52 HydrophobicContact CE1-CD1 3.47Å; F49-I52 VanDerWaalsContact CE1-CD1 3.47Å; F49-I52 HydrophobicContact CE1-CG1 4.15Å; F49-I52 HydrophobicContact CE2-CD1 4.02Å; F49-I52 HydrophobicContact CZ-CD1 3.42Å; F49-I52 VanDerWaalsContact CZ-CD1 3.42Å; F49-I52 HydrophobicContact CZ-CG1 4.46Å; F49-I52 WeakPolarHBondContact O-CG1 3.45Å; F49-I52 WeakPolarHBondContact O-CG2 3.37Å; F49-I52 PolarHBondContact O-N 3.19Å; T50-I52 VanDerWaalsContact C-N 3.25Å; T50-I52 PolarHBondContact O-N 2.68Å; I52-L55 WeakPolarHBondContact O-CD1 3.31Å; I52-L55 WeakPolarHBondContact O-CG 3.32Å; I52-L198 HydrophobicContact CB-CD2 4.3Å; I52-L198 HydrophobicContact CG2-CD2 3.69Å; I52-L204 HydrophobicContact CG2-CD1 4.15Å; I52-L604 HydrophobicContact CD1-CB 4.14Å; I52-L604 HydrophobicContact CD1-CD1 3.93Å; I52-L604 HydrophobicContact CD1-CG 4.03Å; I52-L604 HydrophobicContact CG2-CD1 4.35Å
53	H	83	Confident	77.2	Confident	29 Å²	29	51.9 Å²	51.9	13%	0.134	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-92.2	0.7	-178.1	-66.7	-60.4	0	0	0	113.5	T50 V51 E361 K399	T50-H53 PolarHBondContact O-N 3.25Å; V51-H53 PolarHBondContact O-N 3.42Å; H53-E361 IonicContact CE1-OE1 2.95Å; H53-E361 PolarHBondContact CE1-OE1 2.72Å; H53-E361 IonicContact NE2-OE1 3.31Å; H53-E361 PolarHBondContact NE2-OE1 3.39Å; H53-K399 HydrophobicContact CB-CG 4.36Å
54	R	80.2	Confident	77.8	Confident	37 Å²	37	51.9 Å²	51.9	14%	0.14	27%	0.269	C	S	.	.			trans	-131.1	26.5	-176.8	-57	-172.3	-172.4	-178.3	0.1	113.8	L32 L37 L40 V51 E57 I58	L32-R54 VanDerWaalsContact CD1-CZ 3.45Å; L37-R54 HydrophobicContact CD1-CB 4.38Å; L40-R54 VanDerWaalsContact CD1-NH1 3.28Å; V51-R54 PolarHBondContact O-N 2.84Å; V51-R54 VanDerWaalsContact O-N 3.16Å; R54-E57 VanDerWaalsContact CA-OE2 3.24Å; R54-E57 WeakPolarHBondContact CA-OE2 3.42Å; R54-E57 PolarHBondContact O-N 3.46Å; R54-I58 WeakPolarHBondContact O-CD1 3.32Å; R54-I58 VanDerWaalsContact O-CG1 3.26Å; R54-I58 WeakPolarHBondContact O-CG1 3.35Å; R54-I58 PolarHBondContact O-N 3.12Å; R54-I58 VanDerWaalsContact O-N 3.11Å
55	L	83.4	Confident	78.8	Confident	7 Å²	7	49.4 Å²	49.4	4%	0.037	25%	0.25	C	S	.	.	H	α-helix	trans	-65	-35.8	-175.6	-65.3	168.7	0	0	0	114.5	I52 K59 A197 L198 M252 S257 I259	I52-L55 WeakPolarHBondContact O-CD1 3.31Å; I52-L55 WeakPolarHBondContact O-CG 3.32Å; L55-K59 PolarHBondContact O-N 3.08Å; L55-A197 HydrophobicContact CD2-CB 3.61Å; L55-L198 HydrophobicContact CD1-CD2 4.37Å; L55-L198 HydrophobicContact CD2-CD2 4.11Å; L55-M252 HydrophobicContact CD1-CE 3.69Å; L55-M252 HydrophobicContact CD2-CE 4.34Å; L55-S257 CarbonylContact C-O 3.56Å; L55-S257 WeakPolarHBondContact CB-O 3.41Å; L55-I259 HydrophobicContact CD1-CD1 3.92Å; L55-I259 HydrophobicContact CD1-CG1 3.9Å
56	P	80.9	Confident	79.6	Confident	56 Å²	56	42 Å²	42	36%	0.364	22%	0.215	S	C	.	.	H	α-helix	trans	-61	-50.2	170.3	-25.4	35.6	0	0	0	112.8	I58 K59 E60 S257	P56-I58 PolarHBondContact O-N 3.36Å; P56-K59 PolarHBondContact O-N 3.1Å; P56-E60 PolarHBondContact O-N 2.85Å; P56-S257 WeakPolarHBondContact CD-O 3.44Å
57	E	78.1	Confident	80.2	Confident	65 Å²	65	41.7 Å²	41.7	30%	0.304	21%	0.212	S	C	.	.	H	α-helix	trans	-61.3	-43.7	-176.5	-55.9	95.1	118.2	0	0	111.3	L37 R54 K59 E60 M61	L37-E57 HydrophobicContact CD2-CB 4.32Å; R54-E57 VanDerWaalsContact CA-OE2 3.24Å; R54-E57 WeakPolarHBondContact CA-OE2 3.42Å; R54-E57 PolarHBondContact O-N 3.46Å; E57-K59 PolarHBondContact O-N 3.21Å; E57-E60 PolarHBondContact O-N 3.21Å; E57-M61 WeakPolarHBondContact O-CB 3.26Å; E57-M61 WeakPolarHBondContact O-CG 3.12Å; E57-M61 PolarHBondContact O-N 3.18Å
58	I	76.5	Confident	80	Confident	2 Å²	2	43.9 Å²	43.9	1%	0.01	23%	0.227	C	C	.	.	H	α-helix	trans	-56.4	-36	175.6	-73.5	168.7	0	0	0	112.1	L37 L41 V51 R54 P56 L63 Y65	L37-I58 HydrophobicContact CD2-CG1 4.38Å; L41-I58 HydrophobicContact CD1-CG1 4.34Å; L41-I58 HydrophobicContact CD2-CD1 4.4Å; V51-I58 HydrophobicContact CB-CD1 4.49Å; V51-I58 HydrophobicContact CG1-CD1 3.75Å; V51-I58 HydrophobicContact CG2-CD1 4.49Å; R54-I58 WeakPolarHBondContact O-CD1 3.32Å; R54-I58 VanDerWaalsContact O-CG1 3.26Å; R54-I58 WeakPolarHBondContact O-CG1 3.35Å; R54-I58 PolarHBondContact O-N 3.12Å; R54-I58 VanDerWaalsContact O-N 3.11Å; P56-I58 PolarHBondContact O-N 3.36Å; I58-L63 HydrophobicContact CG2-CB 4.32Å; I58-L63 PolarHBondContact O-N 3.06Å; I58-Y65 HydrophobicContact CG2-CE1 4.3Å
59	K	77.4	Confident	79.6	Confident	85 Å²	85	46.2 Å²	46.2	37%	0.37	26%	0.257	S	S	.	.	H	α-helix	trans	-80.8	-41.3	176.2	-179.1	-162.5	147.6	-157.2	0	112.1	L55 P56 E57 M61 D62 D255	L55-K59 PolarHBondContact O-N 3.08Å; P56-K59 PolarHBondContact O-N 3.1Å; E57-K59 PolarHBondContact O-N 3.21Å; K59-M61 PolarHBondContact O-N 3.01Å; K59-D62 PolarHBondContact O-N 2.68Å; K59-D62 VanDerWaalsContact O-N 3.08Å; K59-D255 HydrophobicContact CD-CB 4.31Å; K59-D255 WeakPolarHBondContact CE-OD2 3.22Å; K59-D255 IonicContact NZ-OD2 2.94Å; K59-D255 PolarHBondContact NZ-OD2 3.28Å
60	E	77.3	Confident	79.5	Confident	169 Å²	169	47 Å²	47	79%	0.79	26%	0.261	S	S	*	.	H	α-helix	trans	-62.8	-27.7	178.4	-71.7	-170	174.1	0	0	112.2	P56 E57	P56-E60 PolarHBondContact O-N 2.85Å; E57-E60 PolarHBondContact O-N 3.21Å
61	M	72.1	Confident	79.5	Confident	76 Å²	76	50 Å²	50	37%	0.374	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	4.1	176	-62.4	174.7	59.8	0	0	114.2	L34 L37 E57 K59 L63	L34-M61 HydrophobicContact CD1-CE 3.44Å; L34-M61 VanDerWaalsContact CD1-CE 3.44Å; L34-M61 HydrophobicContact CG-CE 3.97Å; L37-M61 HydrophobicContact CD2-CE 4.07Å; L37-M61 HydrophobicContact CD2-SD 3.53Å; L37-M61 VanDerWaalsContact CD2-SD 3.53Å; E57-M61 WeakPolarHBondContact O-CB 3.26Å; E57-M61 WeakPolarHBondContact O-CG 3.12Å; E57-M61 PolarHBondContact O-N 3.18Å; K59-M61 PolarHBondContact O-N 3.01Å; M61-L63 HydrophobicContact CB-CD1 3.74Å; M61-L63 HydrophobicContact CB-CG 3.85Å; M61-L63 HydrophobicContact CE-CD1 4.06Å; M61-L63 PolarHBondContact O-N 3.19Å; M61-L63 HydrophobicContact SD-CD1 4.35Å
62	D	73.5	Confident	79.8	Confident	150 Å²	150	50.3 Å²	50.3	80%	0.802	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.7	37.9	-178.9	-153.8	29.2	0	0	0	114.1	K59	K59-D62 PolarHBondContact O-N 2.68Å; K59-D62 VanDerWaalsContact O-N 3.08Å
63	L	73.5	Confident	79.8	Confident	29 Å²	29	53.3 Å²	53.3	15%	0.152	30%	0.302	C	S	.	.			trans	-76.9	133.8	-173.3	-72.2	163.1	0	0	0	111.1	L37 L41 I58 M61	L37-L63 HydrophobicContact CD2-CD1 3.68Å; L37-L63 HydrophobicContact CG-CD1 4.2Å; L41-L63 HydrophobicContact CD1-CB 4.13Å; L41-L63 HydrophobicContact CD1-CD1 3.69Å; L41-L63 HydrophobicContact CD1-CG 4.35Å; I58-L63 HydrophobicContact CG2-CB 4.32Å; I58-L63 PolarHBondContact O-N 3.06Å; M61-L63 HydrophobicContact CB-CD1 3.74Å; M61-L63 HydrophobicContact CB-CG 3.85Å; M61-L63 HydrophobicContact CE-CD1 4.06Å; M61-L63 PolarHBondContact O-N 3.19Å; M61-L63 HydrophobicContact SD-CD1 4.35Å
64	P	76.1	Confident	80.2	Confident	56 Å²	56	52.3 Å²	52.3	36%	0.364	30%	0.298	S	S	.	.			trans	-62.4	143.9	-172.4	25.6	-34.9	0	0	0	111.7	R47	R47-P64 PolarHBondContact NH1-O 3.48Å; R47-P64 PolarHBondContact NH2-O 3.01Å
65	Y	80.7	Confident	80.6	Confident	35 Å²	35	53.9 Å²	53.9	14%	0.137	31%	0.309	C	S	.	.	S	Bend	trans	-82.1	-21.1	179.2	-64.5	-12	0	0	0	113.8	R47 I58 L190 A197 F200 N256	R47-Y65 PolarHBondContact NH2-O 2.82Å; I58-Y65 HydrophobicContact CG2-CE1 4.3Å; Y65-L190 HydrophobicContact CD2-CD1 3.98Å; Y65-L190 HydrophobicContact CG-CD1 4.44Å; Y65-A197 HydrophobicContact CD1-CB 4.42Å; Y65-A197 HydrophobicContact CE1-CB 4.22Å; Y65-F200 VanDerWaalsContact O-CD2 3.26Å; Y65-F200 WeakPolarHBondContact O-CD2 3.34Å; Y65-F200 WeakPolarHBondContact O-CE2 3.35Å; Y65-N256 HydrophobicContact CE2-CB 4.45Å
66	L	84	Confident	80.7	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.005	31%	0.309	C	S	.	.	S	Bend	trans	-81.2	156.7	174.6	-68.4	161.5	0	0	0	110.7	R47 I72 R184 L190 V195 F200	R47-L66 PolarHBondContact NH2-O 3.08Å; R47-L66 VanDerWaalsContact NH2-O 3.1Å; L66-I72 HydrophobicContact CD2-CD1 3.92Å; L66-R184 HydrophobicContact CD1-CG 3.42Å; L66-R184 VanDerWaalsContact CD1-CG 3.42Å; L66-R184 WeakPolarHBondContact CD1-O 3.35Å; L66-L190 HydrophobicContact CD1-CD2 4.12Å; L66-L190 HydrophobicContact CG-CD2 4.22Å; L66-V195 HydrophobicContact CD2-CG1 4.42Å; L66-F200 HydrophobicContact CD2-CE2 3.74Å; L66-F200 HydrophobicContact CD2-CZ 3.81Å; L66-F200 HydrophobicContact CG-CE2 4.49Å
67	M	83.4	Confident	80.7	Confident	1 Å²	1	53.9 Å²	53.9	1%	0.005	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-70.3	131.5	175.6	-63.8	177.7	-76	0	0	110.3	T70 H100 F103 R184 F200	M67-T70 HydrophobicContact CE-CG2 4.2Å; M67-H100 VanDerWaalsContact CE-CD2 3.45Å; M67-H100 WeakPolarHBondContact CE-CD2 3.39Å; M67-H100 VanDerWaalsContact CE-O 3.29Å; M67-H100 WeakPolarHBondContact CE-O 3.36Å; M67-H100 PolarHBondContact N-NE2 2.86Å; M67-F103 HydrophobicContact CE-CD2 3.98Å; M67-F103 HydrophobicContact CE-CE2 4.36Å; M67-F103 HydrophobicContact SD-CE2 4.47Å; M67-R184 PolarHBondContact O-NH2 3.22Å; M67-F200 HydrophobicContact CG-CB 4.49Å
68	P	76.9	Confident	80.5	Confident	49 Å²	49	52.2 Å²	52.2	32%	0.318	30%	0.3	S	S	.	.	S	Bend	trans	-61.2	146.8	171.7	-23.7	35.9	0	0	0	111.9	L41 K42 T70	L41-P68 WeakPolarHBondContact O-CD 3.42Å; L41-P68 WeakPolarHBondContact O-CG 3.45Å; K42-P68 HydrophobicContact CG-CG 4.36Å; P68-T70 PolarHBondContact O-N 2.79Å
69	G	75.8	Confident	79.7	Confident	82 Å²	82	56.1 Å²	56.1	85%	0.845	32%	0.324	S	S	*	.	S	Bend	trans	73.2	-43.6	179.8	0	0	0	0	0	114.8
70	T	83.8	Confident	78.8	Confident	15 Å²	15	54.7 Å²	54.7	9%	0.092	32%	0.319	C	S	.	.			trans	-65.7	130.2	-177	-49.2	0	0	0	0	111.4	T44 M67 P68 H100 R184	T44-T70 PolarHBondContact O-OG1 3.2Å; M67-T70 HydrophobicContact CE-CG2 4.2Å; P68-T70 PolarHBondContact O-N 2.79Å; T70-H100 PolarHBondContact O-CE1 2.86Å; T70-R184 PolarHBondContact O-NH1 3.17Å; T70-R184 PolarHBondContact O-NH2 3.08Å
71	P	84.3	Confident	77.6	Confident	92 Å²	92	53.7 Å²	53.7	60%	0.597	31%	0.311	S	S	*	.			trans	-70.4	160.3	173.2	30.2	-35.1	0	0	0	111.3	H100	P71-H100 PolarHBondContact O-ND1 3.31Å
72	I	88.1	Confident	76.3	Confident	10 Å²	10	57.1 Å²	57.1	5%	0.051	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	123.6	169.4	171.9	172.1	0	0	0	107.2	L66 T99 H100 W105 L178 L193	L66-I72 HydrophobicContact CD2-CD1 3.92Å; I72-T99 WeakPolarHBondContact CA-O 3.38Å; I72-H100 HydrophobicContact CB-CB 4.15Å; I72-H100 HydrophobicContact CD1-CB 4.48Å; I72-H100 HydrophobicContact CG1-CB 4.21Å; I72-W105 HydrophobicContact CD1-CH2 3.74Å; I72-W105 HydrophobicContact CD1-CZ2 4.15Å; I72-W105 HydrophobicContact CG1-CH2 4.45Å; I72-L178 HydrophobicContact CD1-CD2 4.28Å; I72-L178 HydrophobicContact CG1-CD1 4.26Å; I72-L178 HydrophobicContact CG1-CD2 4.49Å; I72-L178 HydrophobicContact CG2-CB 4.29Å; I72-L178 HydrophobicContact CG2-CD1 4.41Å; I72-L178 HydrophobicContact CG2-CD2 3.81Å; I72-L178 HydrophobicContact CG2-CG 4.39Å; I72-L193 HydrophobicContact CD1-CD1 4.19Å
73	T	87.4	Confident	74.8	Confident	74 Å²	74	55.5 Å²	55.5	45%	0.454	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	145.9	-175.2	54.6	0	0	0	0	111.2	L98 T99	T73-L98 WeakPolarHBondContact O-CA 3.46Å; T73-T99 PolarHBondContact N-O 3.07Å; T73-T99 PolarHBondContact O-N 2.7Å; T73-T99 VanDerWaalsContact O-N 3.09Å
74	C	90.3	Very high	73.1	Confident	8 Å²	8	57 Å²	57	5%	0.054	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	132.6	-176.1	167.7	0	0	0	0	110.6	V96 L98 E171 L174 N175 L178	C74-V96 WeakPolarHBondContact SG-CG1 3.41Å; C74-L98 HydrophobicContact CB-CD2 3.88Å; C74-E171 VanDerWaalsContact O-CG 3.25Å; C74-E171 WeakPolarHBondContact O-CG 3.44Å; C74-L174 HydrophobicContact CB-CB 4.31Å; C74-L174 VanDerWaalsContact SG-CD1 3.57Å; C74-N175 PolarHBondContact N-OD1 2.96Å; C74-N175 PolarHBondContact O-ND2 3.33Å; C74-L178 HydrophobicContact CB-CD1 4.05Å
75	N	89.7	Confident	71.6	Confident	69 Å²	69	67.3 Å²	67.3	37%	0.369	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	132.3	166.8	174.3	-108.5	0	0	0	110.1	V96 K97 E171	N75-V96 CarbonylContact O-C 3.46Å; N75-V96 WeakPolarHBondContact O-CA 3.08Å; N75-K97 HydrophobicContact CB-CB 4.37Å; N75-K97 PolarHBondContact N-O 3.46Å; N75-K97 PolarHBondContact O-N 3.4Å; N75-E171 VanDerWaalsContact CA-OE2 3.26Å; N75-E171 WeakPolarHBondContact CA-OE2 3.27Å; N75-E171 PolarHBondContact ND2-OE2 3.16Å
76	V	85.1	Confident	69.9	Low	6 Å²	6	68.7 Å²	68.7	4%	0.036	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	121.8	-173.8	-175.5	0	0	0	0	110.7	Y94 V96 T167 L170 E171 L174	V76-Y94 HydrophobicContact CG1-CD1 4.12Å; V76-Y94 HydrophobicContact CG1-CG 4.41Å; V76-V96 HydrophobicContact CG2-CG1 4.37Å; V76-V96 HydrophobicContact CG2-CG2 4.39Å; V76-T167 HydrophobicContact CG1-CG2 4.43Å; V76-T167 VanDerWaalsContact O-CB 3.31Å; V76-T167 WeakPolarHBondContact O-CB 3.24Å; V76-L170 HydrophobicContact CG1-CB 4.43Å; V76-E171 HydrophobicContact CB-CB 4.02Å; V76-E171 HydrophobicContact CG2-CB 3.8Å; V76-E171 HydrophobicContact CG2-CG 4.3Å; V76-E171 PolarHBondContact N-OE2 3.08Å; V76-L174 HydrophobicContact CG2-CD1 4.23Å
77	D	81.3	Confident	67.9	Low	58 Å²	58	79.5 Å²	79.5	31%	0.31	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	162.8	178.3	-165.3	-12.4	0	0	0	110	Y94 T95 K97	D77-Y94 CarbonylContact O-C 3.15Å; D77-Y94 VanDerWaalsContact O-CA 3.31Å; D77-Y94 WeakPolarHBondContact O-CA 3.31Å; D77-T95 PolarHBondContact N-O 2.64Å; D77-T95 PolarHBondContact O-N 2.66Å; D77-K97 IonicContact OD2-NZ 3.75Å; D77-K97 PolarHBondContact OD2-NZ 3.47Å
78	N	72.4	Confident	66.1	Low	29 Å²	29	84.2 Å²	84.2	16%	0.155	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	81.4	-176.3	177.3	28.1	0	0	0	110.7	Y94 T167	N78-Y94 HydrophobicContact CB-CD1 4.1Å; N78-Y94 HydrophobicContact CB-CE1 4.24Å; N78-T167 HydrophobicContact CB-CG2 3.49Å; N78-T167 VanDerWaalsContact CB-CG2 3.49Å
79	T	60.9	Low	64.6	Low	85 Å²	85	92.3 Å²	92.3	52%	0.521	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	-12.8	-159.4	-18.8	0	0	0	0	114.6	T95	T79-T95 WeakPolarHBondContact OG1-CB 3.08Å; T79-T95 PolarHBondContact OG1-OG1 3.43Å
80	E	59	Low	63.3	Low	55 Å²	55	93.7 Å²	93.7	26%	0.257	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	102.3	-171.7	-70.2	-179.7	-149.4	0	0	114	L93 K108	E80-L93 HydrophobicContact CB-CB 4.39Å; E80-L93 WeakPolarHBondContact OE2-CD2 3.48Å; E80-K108 IonicContact OE1-NZ 3.87Å; E80-K108 PolarHBondContact OE1-NZ 2.99Å
81	K	51.1	Low	62	Low	147 Å²	147	102.2 Å²	102.2	64%	0.639	50%	0.499	S	S	*	.			trans	-113	50.4	170.6	-68.4	-176.2	-176.3	169.5	0	113	T83	K81-T83 PolarHBondContact O-N 2.91Å
82	H	45.3	Very low	61.3	Low	149 Å²	149	100.5 Å²	100.5	69%	0.69	49%	0.485	S	S	*	.			trans	-82.4	117.3	-179.4	-74.3	-73	0	0	0	114.1
83	T	41.1	Very low	60.7	Low	115 Å²	115	101.2 Å²	101.2	71%	0.706	49%	0.489	S	S	*	.			trans	-77.8	112.3	167.8	43.2	0	0	0	0	110.4	K81	K81-T83 PolarHBondContact O-N 2.91Å
84	S	37.4	Very low	60.5	Low	62 Å²	62	98 Å²	98	43%	0.434	47%	0.468	S	S	.	.			trans	-68.7	153.1	158	48.5	0	0	0	0	109.3	S86	S84-S86 PolarHBondContact O-N 3.33Å; S84-S86 PolarHBondContact OG-OG 2.96Å
85	R	45.1	Very low	60.4	Low	271 Å²	271	98.2 Å²	98.2	100%	1.023	47%	0.469	S	S	*	.	S	Bend	trans	-72	49.6	173.2	-70.1	-176.1	173.4	179.5	-2.1	112.3
86	S	45.8	Very low	60.4	Low	65 Å²	65	94.9 Å²	94.9	46%	0.455	45%	0.451	S	S	.	.	S	Bend	trans	-149.8	148.9	-177.3	56.9	0	0	0	0	110.3	S84 V88	S84-S86 PolarHBondContact O-N 3.33Å; S84-S86 PolarHBondContact OG-OG 2.96Å; S86-V88 PolarHBondContact O-N 2.68Å
87	K	42.5	Very low	60.6	Low	228 Å²	228	98.5 Å²	98.5	99%	0.991	47%	0.467	S	S	*	.			trans	-73.8	52.5	-173.7	-63.9	-178.1	178.3	178.7	0	113.4
88	V	44.6	Very low	61.2	Low	100 Å²	100	95.8 Å²	95.8	61%	0.606	45%	0.452	S	S	*	.			trans	-106.2	124.4	-177	-176.1	0	0	0	0	110.5	S86 I90	S86-V88 PolarHBondContact O-N 2.68Å; V88-I90 PolarHBondContact O-N 3.15Å
89	R	44.8	Very low	62	Low	218 Å²	218	96.7 Å²	96.7	82%	0.823	46%	0.459	S	S	*	.			trans	-52.7	124.7	-178.4	-159	175.5	-170	179.3	2.4	111.2	R91	R89-R91 PolarHBondContact O-N 2.76Å
90	I	49	Very low	63.4	Low	112 Å²	112	92.7 Å²	92.7	57%	0.574	43%	0.434	S	S	*	.			trans	-56	128.3	179.9	-58.6	172.7	0	0	0	109.3	V88	V88-I90 PolarHBondContact O-N 3.15Å
91	R	57.3	Low	64.7	Low	194 Å²	194	91.6 Å²	91.6	73%	0.732	44%	0.437	S	S	*	.			trans	-120.2	109.7	175.2	-67	-176.3	-177.8	-175.9	0.7	108.6	R89	R89-R91 PolarHBondContact O-N 2.76Å
92	N	68.4	Low	66.3	Low	56 Å²	56	88.4 Å²	88.4	30%	0.299	43%	0.432	S	S	.	.			trans	-55.8	137.5	175	-60.1	0.6	0	0	0	110.4	Y94	N92-Y94 HydrophobicContact CB-CE1 4.4Å; N92-Y94 HydrophobicContact CB-CE2 4.04Å; N92-Y94 PolarHBondContact ND2-OH 3.44Å
93	L	76.2	Confident	68.3	Low	25 Å²	25	81.9 Å²	81.9	13%	0.131	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	120.8	166.9	-171.7	68.5	0	0	0	107.1	E80 K108 K110	E80-L93 HydrophobicContact CB-CB 4.39Å; E80-L93 WeakPolarHBondContact OE2-CD2 3.48Å; L93-K108 HydrophobicContact CD1-CB 4.3Å; L93-K108 HydrophobicContact CD2-CB 4.03Å; L93-K108 HydrophobicContact CD2-CD 3.9Å; L93-K108 HydrophobicContact CD2-CG 4.47Å; L93-K108 HydrophobicContact CG-CB 4.16Å; L93-K110 HydrophobicContact CD1-CG 3.62Å
94	Y	83.9	Confident	70.6	Confident	5 Å²	5	82.4 Å²	82.4	2%	0.02	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	135.1	179.2	-59	-79.7	0	0	0	109.3	V76 D77 N78 N92 K108 R109 F114 T167 L170	V76-Y94 HydrophobicContact CG1-CD1 4.12Å; V76-Y94 HydrophobicContact CG1-CG 4.41Å; D77-Y94 CarbonylContact O-C 3.15Å; D77-Y94 VanDerWaalsContact O-CA 3.31Å; D77-Y94 WeakPolarHBondContact O-CA 3.31Å; N78-Y94 HydrophobicContact CB-CD1 4.1Å; N78-Y94 HydrophobicContact CB-CE1 4.24Å; N92-Y94 HydrophobicContact CB-CE1 4.4Å; N92-Y94 HydrophobicContact CB-CE2 4.04Å; N92-Y94 PolarHBondContact ND2-OH 3.44Å; Y94-K108 CarbonylContact O-C 3.28Å; Y94-K108 WeakPolarHBondContact O-CA 3.32Å; Y94-R109 PolarHBondContact N-O 3.14Å; Y94-R109 PolarHBondContact O-N 2.86Å; Y94-F114 HydrophobicContact CD2-CE2 4.09Å; Y94-T167 HydrophobicContact CD1-CG2 4.12Å; Y94-T167 HydrophobicContact CE1-CG2 4.17Å; Y94-L170 HydrophobicContact CD1-CD1 4.19Å; Y94-L170 HydrophobicContact CD2-CD1 4.23Å; Y94-L170 HydrophobicContact CE1-CD1 3.91Å; Y94-L170 HydrophobicContact CE2-CD1 3.94Å; Y94-L170 HydrophobicContact CG-CD1 4.35Å
95	T	86.9	Confident	73.2	Confident	13 Å²	13	80.4 Å²	80.4	8%	0.08	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	102.9	177.3	-58.9	0	0	0	0	106.6	D77 T79 V106	D77-T95 PolarHBondContact N-O 2.64Å; D77-T95 PolarHBondContact O-N 2.66Å; T79-T95 WeakPolarHBondContact OG1-CB 3.08Å; T79-T95 PolarHBondContact OG1-OG1 3.43Å; T95-V106 HydrophobicContact CG2-CG1 3.46Å; T95-V106 VanDerWaalsContact CG2-CG1 3.46Å
96	V	89.4	Confident	75.3	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	111.6	-177.8	-172.6	0	0	0	0	108.2	C74 N75 V76 L98 V106 V107 R109 F114 L174	C74-V96 WeakPolarHBondContact SG-CG1 3.41Å; N75-V96 CarbonylContact O-C 3.46Å; N75-V96 WeakPolarHBondContact O-CA 3.08Å; V76-V96 HydrophobicContact CG2-CG1 4.37Å; V76-V96 HydrophobicContact CG2-CG2 4.39Å; V96-L98 HydrophobicContact CG1-CD1 4.48Å; V96-L98 HydrophobicContact CG1-CD2 4.23Å; V96-L98 HydrophobicContact CG1-CG 4.14Å; V96-V106 CarbonylContact O-C 3.57Å; V96-V106 WeakPolarHBondContact O-CA 3.49Å; V96-V107 HydrophobicContact CB-CG2 3.8Å; V96-V107 WeakPolarHBondContact CB-O 3.47Å; V96-V107 HydrophobicContact CG1-CG2 4.35Å; V96-V107 HydrophobicContact CG2-CG2 4.5Å; V96-V107 PolarHBondContact N-O 2.95Å; V96-V107 PolarHBondContact O-N 3.28Å; V96-R109 HydrophobicContact CG2-CB 4.45Å; V96-R109 HydrophobicContact CG2-CG 4.38Å; V96-F114 HydrophobicContact CG2-CZ 4.2Å; V96-L174 HydrophobicContact CG1-CD1 4.11Å
97	K	90.7	Very high	77.3	Confident	81 Å²	81	67.6 Å²	67.6	35%	0.352	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	132.2	175.5	-57.8	167.6	-166.7	155.3	0	107.6	N75 D77 V106	N75-K97 HydrophobicContact CB-CB 4.37Å; N75-K97 PolarHBondContact N-O 3.46Å; N75-K97 PolarHBondContact O-N 3.4Å; D77-K97 IonicContact OD2-NZ 3.75Å; D77-K97 PolarHBondContact OD2-NZ 3.47Å; K97-V106 HydrophobicContact CG-CG2 4.25Å
98	L	92.4	Very high	79.3	Confident	2 Å²	2	58.9 Å²	58.9	1%	0.01	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	134.4	-172.3	-70.3	163.7	0	0	0	110.1	T73 C74 V96 H104 W105 V107 L193	T73-L98 WeakPolarHBondContact O-CA 3.46Å; C74-L98 HydrophobicContact CB-CD2 3.88Å; V96-L98 HydrophobicContact CG1-CD1 4.48Å; V96-L98 HydrophobicContact CG1-CD2 4.23Å; V96-L98 HydrophobicContact CG1-CG 4.14Å; L98-H104 WeakPolarHBondContact O-CA 3.29Å; L98-W105 HydrophobicContact CB-CD2 3.73Å; L98-W105 HydrophobicContact CB-CE3 3.98Å; L98-W105 HydrophobicContact CB-CG 4.37Å; L98-W105 HydrophobicContact CB-CH2 3.97Å; L98-W105 HydrophobicContact CB-CZ2 3.73Å; L98-W105 HydrophobicContact CB-CZ3 4.08Å; L98-W105 HydrophobicContact CD1-CD2 4.47Å; L98-W105 HydrophobicContact CD1-CZ2 3.79Å; L98-W105 HydrophobicContact CG-CZ2 4.32Å; L98-W105 PolarHBondContact N-O 3Å; L98-W105 PolarHBondContact O-N 3.42Å; L98-V107 HydrophobicContact CD1-CG1 4.45Å; L98-V107 HydrophobicContact CD1-CG2 3.86Å; L98-L193 HydrophobicContact CD1-CB 4.42Å; L98-L193 HydrophobicContact CD1-CD2 3.7Å; L98-L193 HydrophobicContact CD2-CD2 3.79Å; L98-L193 HydrophobicContact CG-CD2 4.43Å
99	T	90.4	Very high	81.2	Confident	47 Å²	47	55.3 Å²	55.3	29%	0.288	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	133.2	177.2	-62.5	0	0	0	0	109.9	I72 T73 F103 H104	I72-T99 WeakPolarHBondContact CA-O 3.38Å; T73-T99 PolarHBondContact N-O 3.07Å; T73-T99 PolarHBondContact O-N 2.7Å; T73-T99 VanDerWaalsContact O-N 3.09Å; T99-F103 WeakPolarHBondContact CA-O 3.38Å; T99-H104 WeakPolarHBondContact CG2-NE2 3.41Å; T99-H104 PolarHBondContact OG1-CD2 3.39Å
100	H	89.8	Confident	83	Confident	1 Å²	1	48.5 Å²	48.5	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	103.2	176.5	-174	43.1	0	0	0	110.2	M67 T70 P71 I72 F103 W105 F200	M67-H100 VanDerWaalsContact CE-CD2 3.45Å; M67-H100 WeakPolarHBondContact CE-CD2 3.39Å; M67-H100 VanDerWaalsContact CE-O 3.29Å; M67-H100 WeakPolarHBondContact CE-O 3.36Å; M67-H100 PolarHBondContact N-NE2 2.86Å; T70-H100 PolarHBondContact O-CE1 2.86Å; P71-H100 PolarHBondContact O-ND1 3.31Å; I72-H100 HydrophobicContact CB-CB 4.15Å; I72-H100 HydrophobicContact CD1-CB 4.48Å; I72-H100 HydrophobicContact CG1-CB 4.21Å; H100-F103 PolarHBondContact N-O 2.83Å; H100-F103 WeakPolarHBondContact O-CB 3.36Å; H100-F103 PolarHBondContact O-N 2.77Å; H100-F103 VanDerWaalsContact O-N 3.11Å; H100-W105 HydrophobicContact CB-CH2 3.98Å; H100-W105 HydrophobicContact CB-CZ3 3.81Å; H100-F200 HydrophobicContact CB-CE1 4.34Å; H100-F200 AromaticContact CD2-CE1 3.75Å; H100-F200 AromaticContact CD2-CE2 3.91Å; H100-F200 AromaticContact CD2-CZ 3.66Å
101	G	86.2	Confident	84.6	Confident	32 Å²	32	45.4 Å²	45.4	33%	0.33	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	-134.4	-168.2	0	0	0	0	0	110.7	F103	G101-F103 PolarHBondContact O-N 2.76Å
102	P	84.6	Confident	85.8	Confident	81 Å²	81	42 Å²	42	53%	0.526	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-13.4	175.6	30.9	-34.7	0	0	0	113.4	H104	P102-H104 PolarHBondContact O-CE1 3.2Å; P102-H104 PolarHBondContact O-ND1 2.7Å
103	F	88.1	Confident	86.6	Confident	12 Å²	12	42.2 Å²	42.2	5%	0.053	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	123.7	-172.5	-59.6	-85	0	0	0	112.2	M67 T99 H100 G101 F200 T202 K207	M67-F103 HydrophobicContact CE-CD2 3.98Å; M67-F103 HydrophobicContact CE-CE2 4.36Å; M67-F103 HydrophobicContact SD-CE2 4.47Å; T99-F103 WeakPolarHBondContact CA-O 3.38Å; H100-F103 PolarHBondContact N-O 2.83Å; H100-F103 WeakPolarHBondContact O-CB 3.36Å; H100-F103 PolarHBondContact O-N 2.77Å; H100-F103 VanDerWaalsContact O-N 3.11Å; G101-F103 PolarHBondContact O-N 2.76Å; F103-F200 HydrophobicContact CB-CD1 3.87Å; F103-F200 HydrophobicContact CB-CE1 4.19Å; F103-F200 HydrophobicContact CD1-CD1 4.35Å; F103-F200 HydrophobicContact CD2-CB 4.04Å; F103-F200 AromaticContact CD2-CD1 3.69Å; F103-F200 HydrophobicContact CD2-CD1 3.69Å; F103-F200 HydrophobicContact CD2-CG 4.31Å; F103-F200 HydrophobicContact CE2-CB 3.81Å; F103-F200 HydrophobicContact CE2-CD1 4.33Å; F103-F200 AromaticContact CG-CD1 3.71Å; F103-F200 HydrophobicContact CG-CD1 3.71Å; F103-F200 HydrophobicContact CZ-CB 4.18Å; F103-F200 WeakPolarHBondContact CZ-O 3.35Å; F103-T202 HydrophobicContact CZ-CG2 4.15Å; F103-K207 HydrophobicContact CD1-CB 4.26Å
104	H	89.9	Confident	87	Confident	125 Å²	125	41 Å²	41	58%	0.579	21%	0.207	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-120.9	133.9	179	-63.7	77.5	0	0	0	109.7	L98 T99 P102	L98-H104 WeakPolarHBondContact O-CA 3.29Å; T99-H104 WeakPolarHBondContact CG2-NE2 3.41Å; T99-H104 PolarHBondContact OG1-CD2 3.39Å; P102-H104 PolarHBondContact O-CE1 3.2Å; P102-H104 PolarHBondContact O-ND1 2.7Å
105	W	91.3	Very high	87	Confident	20 Å²	20	44.7 Å²	44.7	8%	0.076	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	170.5	175.6	73	110	0	0	0	112.9	I72 L98 H100 L193 V195 F200 K207	I72-W105 HydrophobicContact CD1-CH2 3.74Å; I72-W105 HydrophobicContact CD1-CZ2 4.15Å; I72-W105 HydrophobicContact CG1-CH2 4.45Å; L98-W105 HydrophobicContact CB-CD2 3.73Å; L98-W105 HydrophobicContact CB-CE3 3.98Å; L98-W105 HydrophobicContact CB-CG 4.37Å; L98-W105 HydrophobicContact CB-CH2 3.97Å; L98-W105 HydrophobicContact CB-CZ2 3.73Å; L98-W105 HydrophobicContact CB-CZ3 4.08Å; L98-W105 HydrophobicContact CD1-CD2 4.47Å; L98-W105 HydrophobicContact CD1-CZ2 3.79Å; L98-W105 HydrophobicContact CG-CZ2 4.32Å; L98-W105 PolarHBondContact N-O 3Å; L98-W105 PolarHBondContact O-N 3.42Å; H100-W105 HydrophobicContact CB-CH2 3.98Å; H100-W105 HydrophobicContact CB-CZ3 3.81Å; W105-L193 PolarHBondContact NE1-O 2.94Å; W105-V195 HydrophobicContact CH2-CG2 4.34Å; W105-V195 HydrophobicContact CZ2-CG2 3.62Å; W105-F200 AromaticContact CH2-CE1 3.91Å; W105-F200 HydrophobicContact CH2-CE1 3.91Å; W105-F200 AromaticContact CH2-CZ 3.96Å; W105-F200 HydrophobicContact CH2-CZ 3.96Å; W105-F200 AromaticContact CZ3-CE1 3.9Å; W105-F200 HydrophobicContact CZ3-CE1 3.9Å; W105-F200 HydrophobicContact CZ3-CZ 4.43Å; W105-K207 HydrophobicContact CB-CD 3.99Å; W105-K207 HydrophobicContact CD2-CD 3.37Å; W105-K207 HydrophobicContact CE3-CD 3.64Å; W105-K207 HydrophobicContact CG-CD 3.56Å; W105-K207 HydrophobicContact CZ2-CD 4.36Å; W105-K207 HydrophobicContact CZ3-CD 4.25Å
106	V	88.3	Confident	87	Confident	64 Å²	64	46.3 Å²	46.3	39%	0.388	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	136.9	-178.5	-176.3	0	0	0	0	109.9	T95 V96 K97	T95-V106 HydrophobicContact CG2-CG1 3.46Å; T95-V106 VanDerWaalsContact CG2-CG1 3.46Å; V96-V106 CarbonylContact O-C 3.57Å; V96-V106 WeakPolarHBondContact O-CA 3.49Å; K97-V106 HydrophobicContact CG-CG2 4.25Å
107	V	87.9	Confident	86.9	Confident	3 Å²	3	46.7 Å²	46.7	2%	0.018	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	123.6	172.1	-60.9	0	0	0	0	111.6	V96 L98 R109	V96-V107 HydrophobicContact CB-CG2 3.8Å; V96-V107 WeakPolarHBondContact CB-O 3.47Å; V96-V107 HydrophobicContact CG1-CG2 4.35Å; V96-V107 HydrophobicContact CG2-CG2 4.5Å; V96-V107 PolarHBondContact N-O 2.95Å; V96-V107 PolarHBondContact O-N 3.28Å; L98-V107 HydrophobicContact CD1-CG1 4.45Å; L98-V107 HydrophobicContact CD1-CG2 3.86Å; V107-R109 HydrophobicContact CG2-CG 4.1Å
108	K	84.5	Confident	86.7	Confident	46 Å²	46	44 Å²	44	20%	0.2	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	125.6	174.3	-60.8	-167.8	-175.6	-174.8	0	110.2	E80 L93 Y94 E310	E80-K108 IonicContact OE1-NZ 3.87Å; E80-K108 PolarHBondContact OE1-NZ 2.99Å; L93-K108 HydrophobicContact CD1-CB 4.3Å; L93-K108 HydrophobicContact CD2-CB 4.03Å; L93-K108 HydrophobicContact CD2-CD 3.9Å; L93-K108 HydrophobicContact CD2-CG 4.47Å; L93-K108 HydrophobicContact CG-CB 4.16Å; Y94-K108 CarbonylContact O-C 3.28Å; Y94-K108 WeakPolarHBondContact O-CA 3.32Å; K108-E310 IonicContact NZ-OE1 2.76Å
109	R	85.7	Confident	86.3	Confident	25 Å²	25	49.9 Å²	49.9	9%	0.094	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	140.3	-174.4	-61.5	-64.7	177.6	-108.4	8.7	111.5	Y94 V96 V107 F114 F192 S194	Y94-R109 PolarHBondContact N-O 3.14Å; Y94-R109 PolarHBondContact O-N 2.86Å; V96-R109 HydrophobicContact CG2-CB 4.45Å; V96-R109 HydrophobicContact CG2-CG 4.38Å; V107-R109 HydrophobicContact CG2-CG 4.1Å; R109-F114 HydrophobicContact CB-CE2 3.8Å; R109-F114 HydrophobicContact CB-CZ 4.45Å; R109-F192 HydrophobicContact CB-CE2 4.28Å; R109-F192 HydrophobicContact CB-CZ 4.24Å; R109-F192 HydrophobicContact CG-CE1 4.43Å; R109-F192 HydrophobicContact CG-CE2 3.99Å; R109-F192 HydrophobicContact CG-CZ 3.89Å; R109-F192 PolarHBondContact NE-O 3.14Å; R109-F192 PolarHBondContact NH2-O 3.21Å; R109-S194 PolarHBondContact NH2-OG 2.98Å
110	K	83.3	Confident	86.1	Confident	75 Å²	75	50.3 Å²	50.3	33%	0.326	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	152.2	173.9	-64.9	166.6	-174.6	158.9	0	108.3	L93 K112 H113 F114	L93-K110 HydrophobicContact CD1-CG 3.62Å; K110-K112 PolarHBondContact O-N 2.89Å; K110-H113 PolarHBondContact N-ND1 2.84Å; K110-H113 WeakPolarHBondContact O-CB 3.3Å; K110-H113 PolarHBondContact O-N 3.21Å; K110-F114 WeakPolarHBondContact O-CD2 3.45Å
111	Y	81.4	Confident	85.8	Confident	47 Å²	47	50.4 Å²	50.4	18%	0.184	24%	0.244	C	C	.	.	H	α-helix	trans	-48	-41.2	177.1	-179.8	-120.2	0	0	0	113.2	H113 F114 Q115 M151 P152 L154 L170	Y111-H113 PolarHBondContact O-N 3.41Å; Y111-H113 VanDerWaalsContact O-N 3.1Å; Y111-F114 WeakPolarHBondContact O-CA 3.35Å; Y111-F114 WeakPolarHBondContact O-CB 3.38Å; Y111-F114 PolarHBondContact O-N 2.84Å; Y111-Q115 HydrophobicContact CD1-CG 4.04Å; Y111-Q115 VanDerWaalsContact CE1-CD 3.45Å; Y111-Q115 HydrophobicContact CE1-CG 3.79Å; Y111-Q115 HydrophobicContact CE2-CG 4.43Å; Y111-Q115 HydrophobicContact CG-CG 4.48Å; Y111-Q115 PolarHBondContact O-N 3.26Å; Y111-Q115 VanDerWaalsContact O-N 3.12Å; Y111-M151 HydrophobicContact CE2-CE 3.82Å; Y111-P152 PolarHBondContact OH-O 3.03Å; Y111-L154 HydrophobicContact CD1-CD1 4.17Å; Y111-L154 HydrophobicContact CD2-CD1 3.34Å; Y111-L154 HydrophobicContact CD2-CG 3.88Å; Y111-L154 HydrophobicContact CE1-CD1 4.32Å; Y111-L154 HydrophobicContact CE1-CG 4.48Å; Y111-L154 HydrophobicContact CE2-CB 4.31Å; Y111-L154 HydrophobicContact CE2-CD1 3.53Å; Y111-L154 HydrophobicContact CE2-CG 3.48Å; Y111-L154 VanDerWaalsContact CE2-CG 3.48Å; Y111-L154 HydrophobicContact CG-CD1 3.67Å; Y111-L154 PolarHBondContact OH-N 2.94Å; Y111-L170 HydrophobicContact CD2-CD2 4.37Å; Y111-L170 HydrophobicContact CE2-CD2 4.33Å
112	K	82.1	Confident	85.7	Confident	121 Å²	121	52.5 Å²	52.5	53%	0.526	24%	0.243	S	C	.	.	H	α-helix	trans	-53.2	-33.1	175.6	-170	172.8	-171.1	-80.4	0	113.8	K110 Q115 E116	K110-K112 PolarHBondContact O-N 2.89Å; K112-Q115 WeakPolarHBondContact O-CB 3.46Å; K112-Q115 PolarHBondContact O-N 2.81Å; K112-E116 HydrophobicContact CG-CG 4.43Å; K112-E116 IonicContact NZ-OE1 3.81Å; K112-E116 PolarHBondContact NZ-OE1 3.16Å; K112-E116 WeakPolarHBondContact O-CB 3.24Å; K112-E116 VanDerWaalsContact O-CG 3.25Å; K112-E116 WeakPolarHBondContact O-CG 3.48Å; K112-E116 PolarHBondContact O-N 3.25Å
113	H	85.6	Confident	85.6	Confident	62 Å²	62	54.8 Å²	54.8	29%	0.287	25%	0.245	S	C	.	.	H	α-helix	trans	-70.9	-32.1	177.9	-53.6	176.4	0	0	0	111.7	K110 Y111 E116 L117 F192	K110-H113 PolarHBondContact N-ND1 2.84Å; K110-H113 WeakPolarHBondContact O-CB 3.3Å; K110-H113 PolarHBondContact O-N 3.21Å; Y111-H113 PolarHBondContact O-N 3.41Å; Y111-H113 VanDerWaalsContact O-N 3.1Å; H113-E116 IonicContact CD2-OE2 3.23Å; H113-E116 PolarHBondContact O-N 3.22Å; H113-L117 WeakPolarHBondContact O-CB 3.46Å; H113-L117 PolarHBondContact O-N 2.95Å; H113-F192 HydrophobicContact CB-CD2 4.36Å; H113-F192 HydrophobicContact CB-CE2 4.08Å
114	F	85.4	Confident	85.1	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-68.6	-38	171.2	-62.1	-113.9	0	0	0	110.3	Y94 V96 R109 K110 Y111 E116 L117 H118 M151 L170 L174 F192	Y94-F114 HydrophobicContact CD2-CE2 4.09Å; V96-F114 HydrophobicContact CG2-CZ 4.2Å; R109-F114 HydrophobicContact CB-CE2 3.8Å; R109-F114 HydrophobicContact CB-CZ 4.45Å; K110-F114 WeakPolarHBondContact O-CD2 3.45Å; Y111-F114 WeakPolarHBondContact O-CA 3.35Å; Y111-F114 WeakPolarHBondContact O-CB 3.38Å; Y111-F114 PolarHBondContact O-N 2.84Å; F114-E116 VanDerWaalsContact C-N 3.35Å; F114-L117 PolarHBondContact O-N 2.64Å; F114-H118 WeakPolarHBondContact O-CB 3.28Å; F114-H118 PolarHBondContact O-N 2.67Å; F114-M151 HydrophobicContact CB-CE 3.78Å; F114-L170 HydrophobicContact CD1-CD2 3.96Å; F114-L170 HydrophobicContact CE1-CB 4.01Å; F114-L170 HydrophobicContact CE1-CD1 4.38Å; F114-L170 HydrophobicContact CE1-CD2 4.17Å; F114-L170 HydrophobicContact CE1-CG 4.42Å; F114-L170 HydrophobicContact CG-CD2 4.45Å; F114-L170 HydrophobicContact CZ-CD1 4.35Å; F114-L174 HydrophobicContact CD1-CD1 4.31Å; F114-L174 HydrophobicContact CD1-CD2 4.37Å; F114-L174 HydrophobicContact CD1-CG 4.29Å; F114-L174 HydrophobicContact CE1-CD1 3.54Å; F114-L174 HydrophobicContact CE1-CD2 4.38Å; F114-L174 HydrophobicContact CE1-CG 3.93Å; F114-L174 HydrophobicContact CZ-CD1 4.25Å; F114-F192 HydrophobicContact CD1-CE2 4.48Å; F114-F192 AromaticContact CD1-CZ 3.97Å; F114-F192 HydrophobicContact CD1-CZ 3.97Å; F114-F192 HydrophobicContact CD2-CE2 4.14Å; F114-F192 HydrophobicContact CD2-CZ 4.14Å; F114-F192 AromaticContact CE1-CZ 3.96Å; F114-F192 HydrophobicContact CE1-CZ 3.96Å; F114-F192 HydrophobicContact CE2-CE2 4.46Å; F114-F192 HydrophobicContact CE2-CZ 4.11Å; F114-F192 HydrophobicContact CG-CE2 4.15Å; F114-F192 HydrophobicContact CG-CZ 4.07Å; F114-F192 HydrophobicContact CZ-CZ 4.02Å
115	Q	83.9	Confident	84.6	Confident	81 Å²	81	52.4 Å²	52.4	38%	0.379	23%	0.233	S	C	.	.	H	α-helix	trans	-67	-35.4	174.6	-52.6	-175.3	-86.5	0	0	112.4	Y111 K112 R119 M151	Y111-Q115 HydrophobicContact CD1-CG 4.04Å; Y111-Q115 VanDerWaalsContact CE1-CD 3.45Å; Y111-Q115 HydrophobicContact CE1-CG 3.79Å; Y111-Q115 HydrophobicContact CE2-CG 4.43Å; Y111-Q115 HydrophobicContact CG-CG 4.48Å; Y111-Q115 PolarHBondContact O-N 3.26Å; Y111-Q115 VanDerWaalsContact O-N 3.12Å; K112-Q115 WeakPolarHBondContact O-CB 3.46Å; K112-Q115 PolarHBondContact O-N 2.81Å; Q115-R119 WeakPolarHBondContact O-CB 3.39Å; Q115-R119 PolarHBondContact O-N 2.8Å; Q115-M151 VanDerWaalsContact CA-SD 3.55Å; Q115-M151 HydrophobicContact CB-CE 4.24Å; Q115-M151 HydrophobicContact CB-SD 3.91Å; Q115-M151 HydrophobicContact CG-CE 3.74Å; Q115-M151 HydrophobicContact CG-SD 3.65Å
116	E	86.6	Confident	83.9	Confident	48 Å²	48	54.4 Å²	54.4	22%	0.224	24%	0.244	C	C	.	.	H	α-helix	trans	-68.3	-49.4	174.2	-73.3	164	150.4	0	0	110.7	K112 H113 F114 H118 R119 D120	K112-E116 HydrophobicContact CG-CG 4.43Å; K112-E116 IonicContact NZ-OE1 3.81Å; K112-E116 PolarHBondContact NZ-OE1 3.16Å; K112-E116 WeakPolarHBondContact O-CB 3.24Å; K112-E116 VanDerWaalsContact O-CG 3.25Å; K112-E116 WeakPolarHBondContact O-CG 3.48Å; K112-E116 PolarHBondContact O-N 3.25Å; H113-E116 IonicContact CD2-OE2 3.23Å; H113-E116 PolarHBondContact O-N 3.22Å; F114-E116 VanDerWaalsContact C-N 3.35Å; E116-H118 PolarHBondContact O-N 3.35Å; E116-R119 PolarHBondContact O-N 3.1Å; E116-D120 WeakPolarHBondContact O-CB 3.48Å; E116-D120 PolarHBondContact O-N 2.95Å
117	L	87.1	Confident	83.5	Confident	7 Å²	7	54.9 Å²	54.9	4%	0.037	24%	0.244	C	C	.	.	H	α-helix	trans	-53.1	-52.9	173.8	173.5	66.2	0	0	0	112.4	H113 F114 R119 D120 L121 L174 L177 M189 F192	H113-L117 WeakPolarHBondContact O-CB 3.46Å; H113-L117 PolarHBondContact O-N 2.95Å; F114-L117 PolarHBondContact O-N 2.64Å; L117-R119 PolarHBondContact O-N 3.08Å; L117-D120 PolarHBondContact O-N 3.27Å; L117-L121 HydrophobicContact CD1-CD1 3.71Å; L117-L121 HydrophobicContact CD1-CG 3.92Å; L117-L121 HydrophobicContact CG-CD1 3.86Å; L117-L121 HydrophobicContact CG-CG 4.42Å; L117-L121 WeakPolarHBondContact O-CB 3.27Å; L117-L121 WeakPolarHBondContact O-CG 3.46Å; L117-L121 PolarHBondContact O-N 2.8Å; L117-L174 HydrophobicContact CD2-CD2 4.13Å; L117-L177 HydrophobicContact CD2-CD1 4.34Å; L117-M189 HydrophobicContact CD1-CB 4.22Å; L117-M189 HydrophobicContact CD1-SD 3.9Å; L117-M189 HydrophobicContact CD2-SD 3.66Å; L117-M189 HydrophobicContact CG-SD 4.37Å; L117-F192 HydrophobicContact CB-CD2 4.07Å; L117-F192 HydrophobicContact CB-CG 4.48Å; L117-F192 HydrophobicContact CD1-CB 4.06Å; L117-F192 HydrophobicContact CD2-CB 4.21Å; L117-F192 HydrophobicContact CD2-CD1 3.92Å; L117-F192 HydrophobicContact CD2-CD2 3.95Å; L117-F192 HydrophobicContact CD2-CE1 4.26Å; L117-F192 HydrophobicContact CD2-CE2 4.27Å; L117-F192 HydrophobicContact CD2-CG 3.76Å; L117-F192 HydrophobicContact CD2-CZ 4.42Å; L117-F192 HydrophobicContact CG-CG 4.47Å
118	H	85.5	Confident	82.7	Confident	26 Å²	26	55.9 Å²	55.9	12%	0.12	25%	0.249	C	C	.	.	H	α-helix	trans	-57.7	-50.1	-178.3	-177	88.9	0	0	0	111.8	F114 E116 D120 Y122 E150 M151 Y173	F114-H118 WeakPolarHBondContact O-CB 3.28Å; F114-H118 PolarHBondContact O-N 2.67Å; E116-H118 PolarHBondContact O-N 3.35Å; H118-D120 VanDerWaalsContact C-N 3.31Å; H118-D120 PolarHBondContact O-N 2.95Å; H118-Y122 VanDerWaalsContact O-CB 3.29Å; H118-Y122 WeakPolarHBondContact O-CB 3.36Å; H118-Y122 PolarHBondContact O-N 3.39Å; H118-E150 PolarHBondContact CE1-O 3.46Å; H118-M151 HydrophobicContact CB-CB 4.44Å; H118-M151 HydrophobicContact CB-CG 3.96Å; H118-M151 HydrophobicContact CB-SD 4.17Å; H118-Y173 VanDerWaalsContact CB-OH 3.29Å; H118-Y173 WeakPolarHBondContact CB-OH 3.48Å; H118-Y173 AromaticContact ND1-CE2 3.98Å; H118-Y173 AromaticContact ND1-CZ 3.83Å; H118-Y173 PolarHBondContact ND1-OH 3.32Å
119	R	85.8	Confident	82	Confident	125 Å²	125	60.4 Å²	60.4	47%	0.472	27%	0.271	S	S	.	.	H	α-helix	trans	-60.8	-41.1	179.3	179.4	-158.9	62.4	-121.1	-7.2	111.7	Q115 E116 L117 K123	Q115-R119 WeakPolarHBondContact O-CB 3.39Å; Q115-R119 PolarHBondContact O-N 2.8Å; E116-R119 PolarHBondContact O-N 3.1Å; L117-R119 PolarHBondContact O-N 3.08Å; R119-K123 VanDerWaalsContact O-CB 3.25Å; R119-K123 WeakPolarHBondContact O-CB 3.24Å; R119-K123 PolarHBondContact O-N 2.75Å
120	D	85.6	Confident	81.1	Confident	56 Å²	56	66.9 Å²	66.9	30%	0.299	30%	0.3	S	S	.	.	H	α-helix	trans	-77.4	-36.3	-174.3	-63.1	-19.8	0	0	0	111.3	E116 L117 H118 K123 H124	E116-D120 WeakPolarHBondContact O-CB 3.48Å; E116-D120 PolarHBondContact O-N 2.95Å; L117-D120 PolarHBondContact O-N 3.27Å; H118-D120 VanDerWaalsContact C-N 3.31Å; H118-D120 PolarHBondContact O-N 2.95Å; D120-K123 PolarHBondContact O-N 2.87Å; D120-H124 PolarHBondContact O-N 3.31Å
121	L	84.1	Confident	80.2	Confident	2 Å²	2	67.9 Å²	67.9	1%	0.01	31%	0.307	C	S	.	.	H	α-helix	trans	-59.6	-49.2	165.9	-75.9	173.2	0	0	0	112.1	L117 K123 H124 K125 M147 L177 C183 D186	L117-L121 HydrophobicContact CD1-CD1 3.71Å; L117-L121 HydrophobicContact CD1-CG 3.92Å; L117-L121 HydrophobicContact CG-CD1 3.86Å; L117-L121 HydrophobicContact CG-CG 4.42Å; L117-L121 WeakPolarHBondContact O-CB 3.27Å; L117-L121 WeakPolarHBondContact O-CG 3.46Å; L117-L121 PolarHBondContact O-N 2.8Å; L121-K123 VanDerWaalsContact C-N 3.33Å; L121-K123 PolarHBondContact O-N 2.83Å; L121-H124 PolarHBondContact O-N 2.96Å; L121-H124 VanDerWaalsContact O-N 3.09Å; L121-K125 PolarHBondContact O-N 3.47Å; L121-M147 HydrophobicContact CB-CE 4.22Å; L121-L177 HydrophobicContact CD1-CD1 3.91Å; L121-L177 HydrophobicContact CD1-CD2 4.15Å; L121-C183 HydrophobicContact CD1-CB 4.49Å; L121-C183 HydrophobicContact CD2-CB 4.28Å; L121-D186 HydrophobicContact CD2-CB 3.55Å; L121-D186 WeakPolarHBondContact CD2-OD1 3.44Å
122	Y	82.5	Confident	79.1	Confident	76 Å²	76	71.7 Å²	71.7	30%	0.298	34%	0.337	S	S	.	.	H	α-helix	trans	-62.8	-40.5	178.7	-173.4	-87.9	0	0	0	111.4	H118 H124 K125 M126 E149	H118-Y122 VanDerWaalsContact O-CB 3.29Å; H118-Y122 WeakPolarHBondContact O-CB 3.36Å; H118-Y122 PolarHBondContact O-N 3.39Å; Y122-H124 VanDerWaalsContact C-N 3.28Å; Y122-H124 PolarHBondContact O-N 3.29Å; Y122-K125 HydrophobicContact CD2-CD 4.44Å; Y122-K125 WeakPolarHBondContact O-CB 3.38Å; Y122-K125 PolarHBondContact O-N 2.92Å; Y122-M126 HydrophobicContact CD1-CG 3.91Å; Y122-M126 HydrophobicContact CE1-CG 3.52Å; Y122-M126 HydrophobicContact CE1-SD 4.02Å; Y122-M126 WeakPolarHBondContact O-CG 3.34Å; Y122-M126 PolarHBondContact O-N 2.95Å; Y122-E149 HydrophobicContact CE2-CB 4.18Å
123	K	82.6	Confident	77.8	Confident	130 Å²	130	70.2 Å²	70.2	57%	0.565	34%	0.338	S	S	*	.	H	α-helix	trans	-59.4	-39.7	172.6	-176.9	-178.7	176.7	-175.6	0	111.4	R119 D120 L121 M126 I127	R119-K123 VanDerWaalsContact O-CB 3.25Å; R119-K123 WeakPolarHBondContact O-CB 3.24Å; R119-K123 PolarHBondContact O-N 2.75Å; D120-K123 PolarHBondContact O-N 2.87Å; L121-K123 VanDerWaalsContact C-N 3.33Å; L121-K123 PolarHBondContact O-N 2.83Å; K123-M126 PolarHBondContact O-N 3.43Å; K123-I127 HydrophobicContact CG-CD1 3.98Å; K123-I127 VanDerWaalsContact O-CG1 3.29Å; K123-I127 WeakPolarHBondContact O-CG1 3.27Å; K123-I127 PolarHBondContact O-N 2.92Å
124	H	78.6	Confident	75.9	Confident	67 Å²	67	78.8 Å²	78.8	31%	0.31	37%	0.368	S	S	.	.	H	α-helix	trans	-68.7	-44.4	176.2	-159.6	-174.2	0	0	0	111.9	D120 L121 Y122 M126 I127 L128 F182 D186	D120-H124 PolarHBondContact O-N 3.31Å; L121-H124 PolarHBondContact O-N 2.96Å; L121-H124 VanDerWaalsContact O-N 3.09Å; Y122-H124 VanDerWaalsContact C-N 3.28Å; Y122-H124 PolarHBondContact O-N 3.29Å; H124-M126 VanDerWaalsContact C-N 3.28Å; H124-M126 PolarHBondContact O-N 3.35Å; H124-I127 PolarHBondContact O-N 2.9Å; H124-L128 WeakPolarHBondContact O-CB 3.5Å; H124-L128 VanDerWaalsContact O-CG 3.28Å; H124-L128 WeakPolarHBondContact O-CG 3.22Å; H124-L128 PolarHBondContact O-N 3.09Å; H124-F182 HydrophobicContact CB-CZ 4.3Å; H124-F182 AromaticContact ND1-CZ 3.94Å; H124-D186 IonicContact CE1-OD2 3.92Å; H124-D186 IonicContact CG-OD2 2.74Å; H124-D186 IonicContact ND1-OD2 3.19Å; H124-D186 PolarHBondContact ND1-OD2 3.12Å
125	K	79	Confident	74.2	Confident	20 Å²	20	90.3 Å²	90.3	9%	0.087	41%	0.411	C	S	.	.	H	α-helix	trans	-49.2	-48.2	170.2	176.1	-173.6	173	-173.9	0	111.2	L121 Y122 L128 H129 L144 M147 E149	L121-K125 PolarHBondContact O-N 3.47Å; Y122-K125 HydrophobicContact CD2-CD 4.44Å; Y122-K125 WeakPolarHBondContact O-CB 3.38Å; Y122-K125 PolarHBondContact O-N 2.92Å; K125-L128 PolarHBondContact O-N 3.48Å; K125-H129 PolarHBondContact O-N 2.9Å; K125-L144 HydrophobicContact CB-CD2 4.45Å; K125-L144 VanDerWaalsContact CE-O 3.32Å; K125-L144 WeakPolarHBondContact CE-O 3.41Å; K125-L144 HydrophobicContact CG-CD2 4.31Å; K125-M147 HydrophobicContact CB-CE 4.32Å; K125-M147 HydrophobicContact CB-SD 4.1Å; K125-M147 HydrophobicContact CD-CB 4.06Å; K125-M147 HydrophobicContact CD-CE 4.24Å; K125-M147 HydrophobicContact CD-SD 3.92Å; K125-M147 HydrophobicContact CG-SD 4.22Å; K125-M147 PolarHBondContact NZ-O 3.34Å; K125-E149 IonicContact NZ-OE1 2.6Å; K125-E149 PolarHBondContact NZ-OE1 3.01Å
126	M	77.3	Confident	72.9	Confident	61 Å²	61	89.3 Å²	89.3	30%	0.3	40%	0.404	S	S	.	.	H	α-helix	trans	-67.8	-44.5	178.7	-66.3	-54.2	-60.2	0	0	113.4	Y122 K123 H124 L128 H129 F130	Y122-M126 HydrophobicContact CD1-CG 3.91Å; Y122-M126 HydrophobicContact CE1-CG 3.52Å; Y122-M126 HydrophobicContact CE1-SD 4.02Å; Y122-M126 WeakPolarHBondContact O-CG 3.34Å; Y122-M126 PolarHBondContact O-N 2.95Å; K123-M126 PolarHBondContact O-N 3.43Å; H124-M126 VanDerWaalsContact C-N 3.28Å; H124-M126 PolarHBondContact O-N 3.35Å; M126-L128 VanDerWaalsContact C-N 3.28Å; M126-L128 PolarHBondContact O-N 3.18Å; M126-H129 WeakPolarHBondContact O-CB 3.32Å; M126-H129 PolarHBondContact O-N 3.43Å; M126-H129 VanDerWaalsContact O-N 3.13Å; M126-F130 HydrophobicContact CE-CE2 3.74Å; M126-F130 HydrophobicContact CE-CZ 4.04Å; M126-F130 WeakPolarHBondContact O-CD2 3.39Å; M126-F130 PolarHBondContact O-N 3.31Å
127	I	78.6	Confident	71.6	Confident	75 Å²	75	89.7 Å²	89.7	39%	0.385	41%	0.412	S	S	.	.	H	α-helix	trans	-58.2	-43.8	176	-72.6	165.7	0	0	0	110.6	K123 H124 H129 F130 M131	K123-I127 HydrophobicContact CG-CD1 3.98Å; K123-I127 VanDerWaalsContact O-CG1 3.29Å; K123-I127 WeakPolarHBondContact O-CG1 3.27Å; K123-I127 PolarHBondContact O-N 2.92Å; H124-I127 PolarHBondContact O-N 2.9Å; I127-H129 VanDerWaalsContact C-N 3.29Å; I127-H129 PolarHBondContact O-N 2.85Å; I127-F130 PolarHBondContact O-N 2.93Å; I127-M131 HydrophobicContact CG2-CE 3.92Å; I127-M131 PolarHBondContact O-N 3.36Å
128	L	71.8	Confident	70.2	Confident	23 Å²	23	97 Å²	97	12%	0.12	45%	0.446	C	S	.	.	H	α-helix	trans	-67.4	-29.4	178.9	-67.8	168.7	0	0	0	112.5	H124 K125 M126 R136 L144 F182	H124-L128 WeakPolarHBondContact O-CB 3.5Å; H124-L128 VanDerWaalsContact O-CG 3.28Å; H124-L128 WeakPolarHBondContact O-CG 3.22Å; H124-L128 PolarHBondContact O-N 3.09Å; K125-L128 PolarHBondContact O-N 3.48Å; M126-L128 VanDerWaalsContact C-N 3.28Å; M126-L128 PolarHBondContact O-N 3.18Å; L128-R136 VanDerWaalsContact CD2-NH2 3.34Å; L128-R136 PolarHBondContact O-NH1 3.43Å; L128-R136 PolarHBondContact O-NH2 2.92Å; L128-L144 HydrophobicContact CD1-CD2 4.45Å; L128-F182 HydrophobicContact CD1-CD2 4.36Å; L128-F182 HydrophobicContact CD1-CE2 3.31Å; L128-F182 HydrophobicContact CD1-CZ 3.43Å; L128-F182 VanDerWaalsContact CD1-CZ 3.43Å
129	H	69.9	Low	68.9	Low	142 Å²	142	102.8 Å²	102.8	66%	0.657	47%	0.471	S	S	*	.	H	α-helix	trans	-66.7	-34	174.9	-164.9	99.5	0	0	0	112.6	K125 M126 I127	K125-H129 PolarHBondContact O-N 2.9Å; M126-H129 WeakPolarHBondContact O-CB 3.32Å; M126-H129 PolarHBondContact O-N 3.43Å; M126-H129 VanDerWaalsContact O-N 3.13Å; I127-H129 VanDerWaalsContact C-N 3.29Å; I127-H129 PolarHBondContact O-N 2.85Å
130	F	66.9	Low	67.7	Low	161 Å²	161	100.6 Å²	100.6	71%	0.706	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	0.3	-179.5	-65.5	-62.4	0	0	0	115.1	M126 I127	M126-F130 HydrophobicContact CE-CE2 3.74Å; M126-F130 HydrophobicContact CE-CZ 4.04Å; M126-F130 WeakPolarHBondContact O-CD2 3.39Å; M126-F130 PolarHBondContact O-N 3.31Å; I127-F130 PolarHBondContact O-N 2.93Å
131	M	64.6	Low	66.6	Low	96 Å²	96	103.2 Å²	103.2	47%	0.473	47%	0.472	S	S	.	.	S	Bend	trans	-88.4	143.7	178.2	-78	-174.9	172.8	0	0	113.2	I127 T133	I127-M131 HydrophobicContact CG2-CE 3.92Å; I127-M131 PolarHBondContact O-N 3.36Å; M131-T133 PolarHBondContact O-N 2.88Å
132	P	57.3	Low	65.6	Low	126 Å²	126	109 Å²	109	82%	0.818	50%	0.499	S	S	*	.			trans	-54.4	123.4	177.9	-27.8	35.8	0	0	0	113.8	R134	P132-R134 VanDerWaalsContact C-N 3.25Å; P132-R134 PolarHBondContact O-N 3.14Å
133	T	54.9	Low	64.8	Low	90 Å²	90	107.8 Å²	107.8	55%	0.552	50%	0.496	S	S	*	.			trans	-80.8	16.5	-159.6	50	0	0	0	0	116.2	M131 R135 R141	M131-T133 PolarHBondContact O-N 2.88Å; T133-R135 VanDerWaalsContact C-N 3.3Å; T133-R135 PolarHBondContact O-N 2.96Å; T133-R141 PolarHBondContact O-NH2 3.45Å
134	R	46.3	Very low	63.9	Low	243 Å²	243	102.8 Å²	102.8	92%	0.917	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	1	-165.5	-126	-179.8	-173.1	-173.2	1.4	116.3	P132	P132-R134 VanDerWaalsContact C-N 3.25Å; P132-R134 PolarHBondContact O-N 3.14Å
135	R	48.3	Very low	63.2	Low	241 Å²	241	109.8 Å²	109.8	91%	0.909	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-148.8	62.7	176.9	-68.3	-172.2	178.6	-177.4	-0.5	112.7	T133	T133-R135 VanDerWaalsContact C-N 3.3Å; T133-R135 PolarHBondContact O-N 2.96Å
136	R	58.4	Low	62.4	Low	61 Å²	61	114.7 Å²	114.7	23%	0.23	53%	0.525	C	S	.	.			trans	-144.2	139.8	165.3	-67.5	-164.7	-155.6	122.7	10.5	111.5	L128	L128-R136 VanDerWaalsContact CD2-NH2 3.34Å; L128-R136 PolarHBondContact O-NH1 3.43Å; L128-R136 PolarHBondContact O-NH2 2.92Å
137	S	58.1	Low	61.7	Low	56 Å²	56	112.6 Å²	112.6	39%	0.392	52%	0.515	S	S	.	.			trans	-67.4	162.1	174.1	72	0	0	0	0	112.2	K139 E140 R141	S137-K139 VanDerWaalsContact C-N 3.3Å; S137-E140 WeakPolarHBondContact CA-OE2 3.1Å; S137-E140 VanDerWaalsContact CB-OE2 3.23Å; S137-E140 WeakPolarHBondContact CB-OE2 3.39Å; S137-E140 PolarHBondContact N-OE2 2.89Å; S137-E140 WeakPolarHBondContact OG-CG 3.5Å; S137-E140 PolarHBondContact OG-N 3.36Å; S137-E140 PolarHBondContact OG-OE2 2.92Å; S137-R141 WeakPolarHBondContact O-CG 3.25Å; S137-R141 PolarHBondContact O-N 3.45Å
138	E	57.3	Low	60.9	Low	159 Å²	159	113.6 Å²	113.6	74%	0.743	53%	0.529	S	S	*	.	H	α-helix	trans	-68.2	-31.5	175.4	-167.9	148.1	-129.7	0	0	112.4	E140 R141 Q142	E138-E140 PolarHBondContact O-N 3.47Å; E138-R141 WeakPolarHBondContact O-CB 3.5Å; E138-R141 PolarHBondContact O-N 3.08Å; E138-R141 VanDerWaalsContact O-N 3.17Å; E138-Q142 PolarHBondContact O-N 3.49Å
139	K	58.2	Low	60.3	Low	149 Å²	149	118.6 Å²	118.6	65%	0.648	55%	0.551	S	S	*	*	H	α-helix	trans	-61.1	-43.9	176.9	-168	174.5	-176.2	177	0	112.4	S137 Q142 Q143	S137-K139 VanDerWaalsContact C-N 3.3Å; K139-Q142 PolarHBondContact O-N 3.02Å; K139-Q143 WeakPolarHBondContact O-CG 3.43Å; K139-Q143 PolarHBondContact O-N 3.2Å
140	E	60.4	Low	59.8	Low	78 Å²	78	120 Å²	120	36%	0.364	56%	0.558	S	S	.	*	H	α-helix	trans	-64.4	-39.1	174.4	-68.3	159.4	89.4	0	0	111.8	S137 E138 Q142 Q143 L144	S137-E140 WeakPolarHBondContact CA-OE2 3.1Å; S137-E140 VanDerWaalsContact CB-OE2 3.23Å; S137-E140 WeakPolarHBondContact CB-OE2 3.39Å; S137-E140 PolarHBondContact N-OE2 2.89Å; S137-E140 WeakPolarHBondContact OG-CG 3.5Å; S137-E140 PolarHBondContact OG-N 3.36Å; S137-E140 PolarHBondContact OG-OE2 2.92Å; E138-E140 PolarHBondContact O-N 3.47Å; E140-Q142 VanDerWaalsContact C-N 3.3Å; E140-Q142 PolarHBondContact O-N 3.33Å; E140-Q143 PolarHBondContact O-N 3.34Å; E140-L144 WeakPolarHBondContact O-CG 3.47Å; E140-L144 PolarHBondContact O-N 3.27Å
141	R	63.2	Low	59.6	Low	112 Å²	112	114.3 Å²	114.3	42%	0.423	54%	0.535	S	S	.	.	H	α-helix	trans	-64.5	-35.9	176.7	-63.1	173.1	-173.2	-169.2	-1.9	111.5	T133 S137 E138 R145	T133-R141 PolarHBondContact O-NH2 3.45Å; S137-R141 WeakPolarHBondContact O-CG 3.25Å; S137-R141 PolarHBondContact O-N 3.45Å; E138-R141 WeakPolarHBondContact O-CB 3.5Å; E138-R141 PolarHBondContact O-N 3.08Å; E138-R141 VanDerWaalsContact O-N 3.17Å; R141-R145 WeakPolarHBondContact O-CG 3.43Å; R141-R145 PolarHBondContact O-N 2.94Å
142	Q	63.4	Low	59.3	Low	122 Å²	122	110.2 Å²	110.2	57%	0.57	52%	0.515	S	S	*	.	H	α-helix	trans	-69.5	-45	174.4	-167.1	175.5	8.6	0	0	111.6	E138 K139 E140 L144 R145 L146	E138-Q142 PolarHBondContact O-N 3.49Å; K139-Q142 PolarHBondContact O-N 3.02Å; E140-Q142 VanDerWaalsContact C-N 3.3Å; E140-Q142 PolarHBondContact O-N 3.33Å; Q142-L144 VanDerWaalsContact C-N 3.33Å; Q142-L144 PolarHBondContact O-N 2.84Å; Q142-R145 WeakPolarHBondContact O-CB 3.3Å; Q142-R145 PolarHBondContact O-N 3.23Å; Q142-R145 VanDerWaalsContact O-N 3.08Å; Q142-L146 HydrophobicContact CG-CD1 4.34Å; Q142-L146 WeakPolarHBondContact O-CG 3.19Å; Q142-L146 PolarHBondContact O-N 3.01Å; Q142-L146 VanDerWaalsContact O-N 3.12Å
143	Q	65.6	Low	59.3	Low	51 Å²	51	107.5 Å²	107.5	24%	0.238	50%	0.499	C	S	.	.	H	α-helix	trans	-59.3	-39.8	176	-75.9	175.1	-26.1	0	0	113.1	K139 E140 R145 L146 N180	K139-Q143 WeakPolarHBondContact O-CG 3.43Å; K139-Q143 PolarHBondContact O-N 3.2Å; E140-Q143 PolarHBondContact O-N 3.34Å; Q143-R145 VanDerWaalsContact C-N 3.31Å; Q143-R145 PolarHBondContact O-N 3.32Å; Q143-L146 PolarHBondContact O-N 3.43Å; Q143-N180 PolarHBondContact O-ND2 3.37Å
144	L	64.3	Low	59.2	Low	25 Å²	25	104 Å²	104	13%	0.131	48%	0.477	C	S	.	.	H	α-helix	trans	-67.3	-28	175.3	-73	166.6	0	0	0	113.4	K125 L128 E140 Q142 F182	K125-L144 HydrophobicContact CB-CD2 4.45Å; K125-L144 VanDerWaalsContact CE-O 3.32Å; K125-L144 WeakPolarHBondContact CE-O 3.41Å; K125-L144 HydrophobicContact CG-CD2 4.31Å; L128-L144 HydrophobicContact CD1-CD2 4.45Å; E140-L144 WeakPolarHBondContact O-CG 3.47Å; E140-L144 PolarHBondContact O-N 3.27Å; Q142-L144 VanDerWaalsContact C-N 3.33Å; Q142-L144 PolarHBondContact O-N 2.84Å; L144-F182 HydrophobicContact CD2-CD1 3.67Å; L144-F182 HydrophobicContact CD2-CD2 4.26Å; L144-F182 HydrophobicContact CD2-CE1 3.71Å; L144-F182 HydrophobicContact CD2-CE2 4.31Å; L144-F182 HydrophobicContact CD2-CG 3.97Å; L144-F182 HydrophobicContact CD2-CZ 4.05Å
145	R	62.6	Low	59.4	Low	215 Å²	215	100.1 Å²	100.1	81%	0.811	47%	0.469	S	S	*	.	H	α-helix	trans	-76.8	-29.3	174.5	-74.3	174	176.4	178.1	-0.9	112.9	R141 Q142 Q143 M147	R141-R145 WeakPolarHBondContact O-CG 3.43Å; R141-R145 PolarHBondContact O-N 2.94Å; Q142-R145 WeakPolarHBondContact O-CB 3.3Å; Q142-R145 PolarHBondContact O-N 3.23Å; Q142-R145 VanDerWaalsContact O-N 3.08Å; Q143-R145 VanDerWaalsContact C-N 3.31Å; Q143-R145 PolarHBondContact O-N 3.32Å; R145-M147 PolarHBondContact O-N 3Å
146	L	63.4	Low	59.1	Low	123 Å²	123	91.5 Å²	91.5	64%	0.644	46%	0.455	S	S	*	.	S	Bend	trans	-78.5	-1.6	-179.6	-68.6	168.1	0	0	0	113.9	Q142 Q143 S148	Q142-L146 HydrophobicContact CG-CD1 4.34Å; Q142-L146 WeakPolarHBondContact O-CG 3.19Å; Q142-L146 PolarHBondContact O-N 3.01Å; Q142-L146 VanDerWaalsContact O-N 3.12Å; Q143-L146 PolarHBondContact O-N 3.43Å; L146-S148 PolarHBondContact O-N 3.39Å
147	M	62.7	Low	58.5	Low	16 Å²	16	95.2 Å²	95.2	8%	0.079	49%	0.485	C	S	.	.	S	Bend	trans	-79.5	110.8	173.7	-71.5	-177.6	66.8	0	0	111.9	L121 K125 R145 F182 C183	L121-M147 HydrophobicContact CB-CE 4.22Å; K125-M147 HydrophobicContact CB-CE 4.32Å; K125-M147 HydrophobicContact CB-SD 4.1Å; K125-M147 HydrophobicContact CD-CB 4.06Å; K125-M147 HydrophobicContact CD-CE 4.24Å; K125-M147 HydrophobicContact CD-SD 3.92Å; K125-M147 HydrophobicContact CG-SD 4.22Å; K125-M147 PolarHBondContact NZ-O 3.34Å; R145-M147 PolarHBondContact O-N 3Å; M147-F182 HydrophobicContact SD-CD1 3.61Å; M147-F182 HydrophobicContact SD-CE1 3.78Å; M147-C183 VanDerWaalsContact CE-SG 3.56Å
148	S	60.8	Low	57.7	Low	97 Å²	97	101.4 Å²	101.4	68%	0.678	51%	0.507	S	S	*	.			trans	-49.1	136.7	168	-58.1	0	0	0	0	112.4	L146	L146-S148 PolarHBondContact O-N 3.39Å
149	E	60.1	Low	56.8	Low	127 Å²	127	105.2 Å²	105.2	59%	0.593	52%	0.515	S	S	*	.	S	Bend	trans	-95.1	-14.2	-171	-46.9	-153.8	132	0	0	113.4	Y122 K125	Y122-E149 HydrophobicContact CE2-CB 4.18Å; K125-E149 IonicContact NZ-OE1 2.6Å; K125-E149 PolarHBondContact NZ-OE1 3.01Å
150	E	59.5	Low	56.3	Low	172 Å²	172	103.3 Å²	103.3	80%	0.804	53%	0.527	S	S	*	.	S	Bend	trans	-99	143.1	174.5	-61.5	-163	148.2	0	0	111.8	H118	H118-E150 PolarHBondContact CE1-O 3.46Å
151	M	61.6	Low	55.6	Low	42 Å²	42	109.3 Å²	109.3	21%	0.207	55%	0.546	C	S	.	.			trans	-87.8	134.7	169.6	-167.3	-163.5	170.1	0	0	110.6	Y111 F114 Q115 H118 S153	Y111-M151 HydrophobicContact CE2-CE 3.82Å; F114-M151 HydrophobicContact CB-CE 3.78Å; Q115-M151 VanDerWaalsContact CA-SD 3.55Å; Q115-M151 HydrophobicContact CB-CE 4.24Å; Q115-M151 HydrophobicContact CB-SD 3.91Å; Q115-M151 HydrophobicContact CG-CE 3.74Å; Q115-M151 HydrophobicContact CG-SD 3.65Å; H118-M151 HydrophobicContact CB-CB 4.44Å; H118-M151 HydrophobicContact CB-CG 3.96Å; H118-M151 HydrophobicContact CB-SD 4.17Å; M151-S153 PolarHBondContact O-N 2.97Å
152	P	57.7	Low	55	Low	10 Å²	10	106.6 Å²	106.6	7%	0.065	55%	0.553	C	S	.	*			trans	-56.5	106.4	173.9	22.4	-35.5	0	0	0	113.1	Y111 L154 Y169 Y173	Y111-P152 PolarHBondContact OH-O 3.03Å; P152-L154 PolarHBondContact O-N 2.97Å; P152-Y169 HydrophobicContact CB-CD1 3.9Å; P152-Y169 HydrophobicContact CB-CE1 3.26Å; P152-Y169 HydrophobicContact CB-CE2 4.33Å; P152-Y173 VanDerWaalsContact CD-CD2 3.5Å; P152-Y173 HydrophobicContact CG-CD1 4.13Å; P152-Y173 HydrophobicContact CG-CD2 3.53Å; P152-Y173 HydrophobicContact CG-CE2 4Å; P152-Y173 HydrophobicContact CG-CG 3.6Å
153	S	57.6	Low	54.4	Low	68 Å²	68	103.5 Å²	103.5	48%	0.476	55%	0.548	S	S	.	.			trans	-78.4	117.3	179.6	-179.5	0	0	0	0	112.5	M151 H155 G156	M151-S153 PolarHBondContact O-N 2.97Å; S153-H155 PolarHBondContact O-N 3.32Å; S153-H155 PolarHBondContact OG-N 3.21Å; S153-G156 PolarHBondContact O-N 2.99Å
154	L	54.1	Low	53.7	Low	17 Å²	17	105.4 Å²	105.4	9%	0.089	57%	0.567	C	S	.	*	T	Hydrogen-bonded Turn	trans	-66.3	-3.9	171.3	-69.5	-176.5	0	0	0	114.7	Y111 P152 K166 L170	Y111-L154 HydrophobicContact CD1-CD1 4.17Å; Y111-L154 HydrophobicContact CD2-CD1 3.34Å; Y111-L154 HydrophobicContact CD2-CG 3.88Å; Y111-L154 HydrophobicContact CE1-CD1 4.32Å; Y111-L154 HydrophobicContact CE1-CG 4.48Å; Y111-L154 HydrophobicContact CE2-CB 4.31Å; Y111-L154 HydrophobicContact CE2-CD1 3.53Å; Y111-L154 HydrophobicContact CE2-CG 3.48Å; Y111-L154 VanDerWaalsContact CE2-CG 3.48Å; Y111-L154 HydrophobicContact CG-CD1 3.67Å; Y111-L154 PolarHBondContact OH-N 2.94Å; P152-L154 PolarHBondContact O-N 2.97Å; L154-K166 HydrophobicContact CD2-CB 4.06Å; L154-K166 HydrophobicContact CD2-CD 4.25Å; L154-K166 HydrophobicContact CD2-CG 4.23Å; L154-K166 PolarHBondContact O-NZ 3.43Å; L154-L170 HydrophobicContact CD1-CD1 4.48Å; L154-L170 HydrophobicContact CD2-CD1 4.49Å; L154-L170 HydrophobicContact CD2-CG 4.48Å
155	H	49	Very low	53.8	Low	162 Å²	162	106.3 Å²	106.3	75%	0.75	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.2	34.4	-176.9	-67.8	4.1	0	0	0	112.1	S153	S153-H155 PolarHBondContact O-N 3.32Å; S153-H155 PolarHBondContact OG-N 3.21Å
156	G	43.9	Very low	54.3	Low	60 Å²	60	100 Å²	100	62%	0.619	55%	0.554	S	S	*	*			trans	-75	156.1	164.5	0	0	0	0	0	112.9	S153	S153-G156 PolarHBondContact O-N 2.99Å
157	T	44	Very low	54.9	Low	139 Å²	139	95 Å²	95	85%	0.853	53%	0.528	S	S	*	.	S	Bend	trans	-76.7	160.5	175.6	33.2	0	0	0	0	112.8	R159	T157-R159 PolarHBondContact O-N 2.89Å
158	E	41.2	Very low	55.7	Low	186 Å²	186	99.5 Å²	99.5	87%	0.869	55%	0.547	S	S	*	.	S	Bend	trans	51.7	49.9	164.4	-57.7	-156	166.5	0	0	119.7
159	R	39.9	Very low	56.6	Low	239 Å²	239	100.4 Å²	100.4	90%	0.902	54%	0.537	S	S	*	.				-166.8	101.5	124.6	-103.5	151.3	-171.2	-164.7	2.6	112.3	T157 R161	T157-R159 PolarHBondContact O-N 2.89Å; R159-R161 PolarHBondContact O-N 2.76Å
160	A	47.9	Very low	57.8	Low	108 Å²	108	94.3 Å²	94.3	89%	0.893	51%	0.508	S	S	*	.			trans	-70.9	109.9	169.4	0	0	0	0	0	110.3
161	R	45.1	Very low	59	Low	205 Å²	205	88.1 Å²	88.1	77%	0.774	48%	0.479	S	S	*	.			trans	-118	163.3	154.4	-74.7	-177.9	174.5	178.5	-2.6	108.6	R159 S165	R159-R161 PolarHBondContact O-N 2.76Å; R161-S165 VanDerWaalsContact C-OG 3.25Å; R161-S165 WeakPolarHBondContact CB-OG 3.14Å; R161-S165 PolarHBondContact O-OG 3.09Å
162	G	50.9	Low	60.1	Low	55 Å²	55	89.9 Å²	89.9	57%	0.567	49%	0.487	S	S	*	.			trans	-67.8	-173.6	-164.7	0	0	0	0	0	115	S164 S165	G162-S164 PolarHBondContact O-N 2.98Å; G162-S165 PolarHBondContact O-N 3.03Å; G162-S165 PolarHBondContact O-OG 2.96Å; G162-S165 VanDerWaalsContact O-OG 3.1Å
163	A	50.4	Low	61.4	Low	56 Å²	56	90.4 Å²	90.4	46%	0.463	49%	0.488	S	S	.	.	H	α-helix	trans	-52.8	-34.1	178.2	0	0	0	0	0	113.1	S165 K166 T167	A163-S165 PolarHBondContact O-N 3.18Å; A163-K166 PolarHBondContact O-N 3.46Å; A163-T167 PolarHBondContact O-N 2.68Å; A163-T167 VanDerWaalsContact O-N 3.15Å
164	S	51.7	Low	62.8	Low	92 Å²	92	87.3 Å²	87.3	64%	0.643	47%	0.466	S	S	*	.	H	α-helix	trans	-62.2	-32.6	175.5	162.5	0	0	0	0	114.6	G162 T167 K168	G162-S164 PolarHBondContact O-N 2.98Å; S164-T167 WeakPolarHBondContact CA-OG1 3.27Å; S164-T167 PolarHBondContact O-OG1 3.06Å; S164-K168 WeakPolarHBondContact O-CB 3.28Å; S164-K168 PolarHBondContact O-N 2.93Å
165	S	65.6	Low	64.4	Low	43 Å²	43	88.2 Å²	88.2	30%	0.301	47%	0.471	S	S	.	.	H	α-helix	trans	-77.5	-27.9	176.1	71.9	0	0	0	0	111.9	R161 G162 A163 Y169	R161-S165 VanDerWaalsContact C-OG 3.25Å; R161-S165 WeakPolarHBondContact CB-OG 3.14Å; R161-S165 PolarHBondContact O-OG 3.09Å; G162-S165 PolarHBondContact O-N 3.03Å; G162-S165 PolarHBondContact O-OG 2.96Å; G162-S165 VanDerWaalsContact O-OG 3.1Å; A163-S165 PolarHBondContact O-N 3.18Å; S165-Y169 WeakPolarHBondContact O-CB 3.43Å; S165-Y169 PolarHBondContact O-N 3.36Å
166	K	72.6	Confident	66	Low	84 Å²	84	85.3 Å²	85.3	37%	0.365	46%	0.461	S	S	.	.	H	α-helix	trans	-76	-26.7	176	-64.9	-165	177.9	-158.7	0	112.9	L154 A163 L170	L154-K166 HydrophobicContact CD2-CB 4.06Å; L154-K166 HydrophobicContact CD2-CD 4.25Å; L154-K166 HydrophobicContact CD2-CG 4.23Å; L154-K166 PolarHBondContact O-NZ 3.43Å; A163-K166 PolarHBondContact O-N 3.46Å; K166-L170 WeakPolarHBondContact O-CG 3.24Å
167	T	76.8	Confident	67.9	Low	16 Å²	16	83.4 Å²	83.4	10%	0.098	44%	0.436	C	S	.	.	H	α-helix	trans	-75.6	-49.8	167.4	51.1	0	0	0	0	110.9	V76 N78 Y94 A163 S164 Y169 L170 E171	V76-T167 HydrophobicContact CG1-CG2 4.43Å; V76-T167 VanDerWaalsContact O-CB 3.31Å; V76-T167 WeakPolarHBondContact O-CB 3.24Å; N78-T167 HydrophobicContact CB-CG2 3.49Å; N78-T167 VanDerWaalsContact CB-CG2 3.49Å; Y94-T167 HydrophobicContact CD1-CG2 4.12Å; Y94-T167 HydrophobicContact CE1-CG2 4.17Å; A163-T167 PolarHBondContact O-N 2.68Å; A163-T167 VanDerWaalsContact O-N 3.15Å; S164-T167 WeakPolarHBondContact CA-OG1 3.27Å; S164-T167 PolarHBondContact O-OG1 3.06Å; T167-Y169 VanDerWaalsContact C-N 3.31Å; T167-Y169 PolarHBondContact O-N 2.74Å; T167-L170 CarbonylContact O-C 3.58Å; T167-L170 WeakPolarHBondContact O-CA 3.3Å; T167-L170 PolarHBondContact O-N 3.18Å; T167-E171 PolarHBondContact O-N 2.77Å
168	K	80.3	Confident	69.9	Low	112 Å²	112	77.1 Å²	77.1	49%	0.487	40%	0.397	S	S	.	.	H	α-helix	trans	-58.7	-39.3	-179.6	-166.5	177.3	-174.7	-164.1	0	113.1	S164 L170 E171 E172	S164-K168 WeakPolarHBondContact O-CB 3.28Å; S164-K168 PolarHBondContact O-N 2.93Å; K168-L170 VanDerWaalsContact C-N 3.29Å; K168-L170 PolarHBondContact O-N 3.11Å; K168-E171 WeakPolarHBondContact O-CA 3.36Å; K168-E171 VanDerWaalsContact O-CB 3.27Å; K168-E171 WeakPolarHBondContact O-CB 3.39Å; K168-E171 PolarHBondContact O-N 3.05Å; K168-E172 WeakPolarHBondContact CD-OE1 3.27Å; K168-E172 WeakPolarHBondContact CE-OE1 3.47Å; K168-E172 HydrophobicContact CG-CG 4.31Å; K168-E172 IonicContact NZ-OE1 3.43Å; K168-E172 WeakPolarHBondContact O-CG 3.26Å; K168-E172 PolarHBondContact O-N 3.06Å
169	Y	79.4	Confident	71.9	Confident	115 Å²	115	76.1 Å²	76.1	45%	0.451	39%	0.393	S	S	.	.	H	α-helix	trans	-68.1	-25.8	176.5	-170.4	-133.3	0	0	0	113.8	P152 S165 T167 Y173	P152-Y169 HydrophobicContact CB-CD1 3.9Å; P152-Y169 HydrophobicContact CB-CE1 3.26Å; P152-Y169 HydrophobicContact CB-CE2 4.33Å; S165-Y169 WeakPolarHBondContact O-CB 3.43Å; S165-Y169 PolarHBondContact O-N 3.36Å; T167-Y169 VanDerWaalsContact C-N 3.31Å; T167-Y169 PolarHBondContact O-N 2.74Å; Y169-Y173 WeakPolarHBondContact O-CB 3.31Å; Y169-Y173 PolarHBondContact O-N 2.86Å
170	L	83.5	Confident	73.8	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-82.7	-21.3	170.4	-69.2	174.6	0	0	0	112.5	V76 Y94 Y111 F114 L154 K166 T167 K168 L174	V76-L170 HydrophobicContact CG1-CB 4.43Å; Y94-L170 HydrophobicContact CD1-CD1 4.19Å; Y94-L170 HydrophobicContact CD2-CD1 4.23Å; Y94-L170 HydrophobicContact CE1-CD1 3.91Å; Y94-L170 HydrophobicContact CE2-CD1 3.94Å; Y94-L170 HydrophobicContact CG-CD1 4.35Å; Y111-L170 HydrophobicContact CD2-CD2 4.37Å; Y111-L170 HydrophobicContact CE2-CD2 4.33Å; F114-L170 HydrophobicContact CD1-CD2 3.96Å; F114-L170 HydrophobicContact CE1-CB 4.01Å; F114-L170 HydrophobicContact CE1-CD1 4.38Å; F114-L170 HydrophobicContact CE1-CD2 4.17Å; F114-L170 HydrophobicContact CE1-CG 4.42Å; F114-L170 HydrophobicContact CG-CD2 4.45Å; F114-L170 HydrophobicContact CZ-CD1 4.35Å; L154-L170 HydrophobicContact CD1-CD1 4.48Å; L154-L170 HydrophobicContact CD2-CD1 4.49Å; L154-L170 HydrophobicContact CD2-CG 4.48Å; K166-L170 WeakPolarHBondContact O-CG 3.24Å; T167-L170 CarbonylContact O-C 3.58Å; T167-L170 WeakPolarHBondContact O-CA 3.3Å; T167-L170 PolarHBondContact O-N 3.18Å; K168-L170 VanDerWaalsContact C-N 3.29Å; K168-L170 PolarHBondContact O-N 3.11Å; L170-L174 WeakPolarHBondContact O-CB 3.44Å; L170-L174 WeakPolarHBondContact O-CG 3.27Å; L170-L174 PolarHBondContact O-N 2.94Å
171	E	85.9	Confident	75.1	Confident	41 Å²	41	61.6 Å²	61.6	19%	0.192	32%	0.323	C	S	.	.	H	α-helix	trans	-76.1	-50.4	174.3	-173.4	175.9	110.8	0	0	111	C74 N75 V76 T167 K168 L174 N175	C74-E171 VanDerWaalsContact O-CG 3.25Å; C74-E171 WeakPolarHBondContact O-CG 3.44Å; N75-E171 VanDerWaalsContact CA-OE2 3.26Å; N75-E171 WeakPolarHBondContact CA-OE2 3.27Å; N75-E171 PolarHBondContact ND2-OE2 3.16Å; V76-E171 HydrophobicContact CB-CB 4.02Å; V76-E171 HydrophobicContact CG2-CB 3.8Å; V76-E171 HydrophobicContact CG2-CG 4.3Å; V76-E171 PolarHBondContact N-OE2 3.08Å; T167-E171 PolarHBondContact O-N 2.77Å; K168-E171 WeakPolarHBondContact O-CA 3.36Å; K168-E171 VanDerWaalsContact O-CB 3.27Å; K168-E171 WeakPolarHBondContact O-CB 3.39Å; K168-E171 PolarHBondContact O-N 3.05Å; E171-L174 PolarHBondContact O-N 3.03Å; E171-N175 PolarHBondContact O-N 3.13Å; E171-N175 PolarHBondContact O-ND2 3.43Å
172	E	84.3	Confident	76.7	Confident	80 Å²	80	53.7 Å²	53.7	37%	0.374	29%	0.294	S	S	.	.	H	α-helix	trans	-52.6	-57.9	173.1	-70.9	160.6	169.8	0	0	109.4	K168 L174 N175 D176	K168-E172 WeakPolarHBondContact CD-OE1 3.27Å; K168-E172 WeakPolarHBondContact CE-OE1 3.47Å; K168-E172 HydrophobicContact CG-CG 4.31Å; K168-E172 IonicContact NZ-OE1 3.43Å; K168-E172 WeakPolarHBondContact O-CG 3.26Å; K168-E172 PolarHBondContact O-N 3.06Å; E172-L174 VanDerWaalsContact C-N 3.29Å; E172-L174 PolarHBondContact O-N 3.35Å; E172-L174 VanDerWaalsContact O-N 3.15Å; E172-N175 PolarHBondContact O-N 2.78Å; E172-D176 PolarHBondContact O-N 2.89Å
173	Y	85.3	Confident	78.1	Confident	21 Å²	21	51 Å²	51	8%	0.082	27%	0.267	C	S	.	.	H	α-helix	trans	-54.9	-35.2	177	171.3	-98.8	0	0	0	115.2	H118 P152 Y169 L177	H118-Y173 VanDerWaalsContact CB-OH 3.29Å; H118-Y173 WeakPolarHBondContact CB-OH 3.48Å; H118-Y173 AromaticContact ND1-CE2 3.98Å; H118-Y173 AromaticContact ND1-CZ 3.83Å; H118-Y173 PolarHBondContact ND1-OH 3.32Å; P152-Y173 VanDerWaalsContact CD-CD2 3.5Å; P152-Y173 HydrophobicContact CG-CD1 4.13Å; P152-Y173 HydrophobicContact CG-CD2 3.53Å; P152-Y173 HydrophobicContact CG-CE2 4Å; P152-Y173 HydrophobicContact CG-CG 3.6Å; Y169-Y173 WeakPolarHBondContact O-CB 3.31Å; Y169-Y173 PolarHBondContact O-N 2.86Å; Y173-L177 HydrophobicContact CD1-CD1 4.41Å; Y173-L177 HydrophobicContact CE1-CD1 3.69Å; Y173-L177 HydrophobicContact CE2-CD1 4.18Å; Y173-L177 HydrophobicContact CE2-CG 4.46Å; Y173-L177 WeakPolarHBondContact O-CG 3.33Å; Y173-L177 PolarHBondContact O-N 3.11Å
174	L	86.3	Confident	79.6	Confident	2 Å²	2	50.2 Å²	50.2	1%	0.01	25%	0.252	C	S	.	.	H	α-helix	trans	-76.1	-35.6	176.9	-81.8	-178.6	0	0	0	112.3	C74 V76 V96 F114 L117 L170 E171 E172 L177 L178 M189 F192	C74-L174 HydrophobicContact CB-CB 4.31Å; C74-L174 VanDerWaalsContact SG-CD1 3.57Å; V76-L174 HydrophobicContact CG2-CD1 4.23Å; V96-L174 HydrophobicContact CG1-CD1 4.11Å; F114-L174 HydrophobicContact CD1-CD1 4.31Å; F114-L174 HydrophobicContact CD1-CD2 4.37Å; F114-L174 HydrophobicContact CD1-CG 4.29Å; F114-L174 HydrophobicContact CE1-CD1 3.54Å; F114-L174 HydrophobicContact CE1-CD2 4.38Å; F114-L174 HydrophobicContact CE1-CG 3.93Å; F114-L174 HydrophobicContact CZ-CD1 4.25Å; L117-L174 HydrophobicContact CD2-CD2 4.13Å; L170-L174 WeakPolarHBondContact O-CB 3.44Å; L170-L174 WeakPolarHBondContact O-CG 3.27Å; L170-L174 PolarHBondContact O-N 2.94Å; E171-L174 PolarHBondContact O-N 3.03Å; E172-L174 VanDerWaalsContact C-N 3.29Å; E172-L174 PolarHBondContact O-N 3.35Å; E172-L174 VanDerWaalsContact O-N 3.15Å; L174-L177 PolarHBondContact O-N 3.1Å; L174-L178 VanDerWaalsContact O-CG 3.25Å; L174-L178 WeakPolarHBondContact O-CG 3.49Å; L174-L178 PolarHBondContact O-N 3.45Å; L174-M189 HydrophobicContact CD2-CE 4.26Å; L174-F192 HydrophobicContact CD1-CE1 3.93Å; L174-F192 HydrophobicContact CD1-CZ 4.26Å; L174-F192 HydrophobicContact CD2-CD1 4.44Å; L174-F192 HydrophobicContact CD2-CE1 3.72Å; L174-F192 HydrophobicContact CD2-CZ 4.18Å
175	N	87.3	Confident	80.9	Confident	36 Å²	36	48.9 Å²	48.9	19%	0.193	24%	0.238	C	C	.	.	H	α-helix	trans	-70.2	-40.6	175.7	-70.7	-66.1	0	0	0	111	C74 E171 E172 L177 L178 E179	C74-N175 PolarHBondContact N-OD1 2.96Å; C74-N175 PolarHBondContact O-ND2 3.33Å; E171-N175 PolarHBondContact O-N 3.13Å; E171-N175 PolarHBondContact O-ND2 3.43Å; E172-N175 PolarHBondContact O-N 2.78Å; N175-L177 VanDerWaalsContact C-N 3.25Å; N175-L177 PolarHBondContact O-N 2.92Å; N175-L178 WeakPolarHBondContact O-CA 3.4Å; N175-L178 WeakPolarHBondContact O-CB 3.31Å; N175-L178 PolarHBondContact O-N 3.43Å; N175-E179 PolarHBondContact O-N 3.22Å
176	D	83.5	Confident	81.8	Confident	102 Å²	102	47.4 Å²	47.4	55%	0.545	23%	0.227	S	C	.	.	H	α-helix	trans	-53.6	-42	173	-60.2	-21	0	0	0	112	E172 N180	E172-D176 PolarHBondContact O-N 2.89Å; D176-N180 PolarHBondContact O-N 3.17Å
177	L	84.6	Confident	82.3	Confident	19 Å²	19	48.9 Å²	48.9	10%	0.099	23%	0.23	C	C	.	.	H	α-helix	trans	-71.9	-24.5	175.4	-73.5	-179.4	0	0	0	113.9	L117 L121 Y173 L174 N175 C183 R184 M189	L117-L177 HydrophobicContact CD2-CD1 4.34Å; L121-L177 HydrophobicContact CD1-CD1 3.91Å; L121-L177 HydrophobicContact CD1-CD2 4.15Å; Y173-L177 HydrophobicContact CD1-CD1 4.41Å; Y173-L177 HydrophobicContact CE1-CD1 3.69Å; Y173-L177 HydrophobicContact CE2-CD1 4.18Å; Y173-L177 HydrophobicContact CE2-CG 4.46Å; Y173-L177 WeakPolarHBondContact O-CG 3.33Å; Y173-L177 PolarHBondContact O-N 3.11Å; L174-L177 PolarHBondContact O-N 3.1Å; N175-L177 VanDerWaalsContact C-N 3.25Å; N175-L177 PolarHBondContact O-N 2.92Å; L177-C183 HydrophobicContact CB-CB 4.42Å; L177-C183 HydrophobicContact CD2-CB 4.1Å; L177-C183 VanDerWaalsContact O-CB 3.26Å; L177-C183 WeakPolarHBondContact O-CB 3.19Å; L177-R184 PolarHBondContact O-N 3.27Å; L177-M189 HydrophobicContact CB-CE 4.04Å
178	L	85.7	Confident	82.7	Confident	7 Å²	7	49.9 Å²	49.9	4%	0.037	24%	0.238	C	C	.	.	H	α-helix	trans	-84.2	-26.7	178.4	-73.8	171.2	0	0	0	112.6	I72 C74 L174 N175 R184 M189 L193	I72-L178 HydrophobicContact CD1-CD2 4.28Å; I72-L178 HydrophobicContact CG1-CD1 4.26Å; I72-L178 HydrophobicContact CG1-CD2 4.49Å; I72-L178 HydrophobicContact CG2-CB 4.29Å; I72-L178 HydrophobicContact CG2-CD1 4.41Å; I72-L178 HydrophobicContact CG2-CD2 3.81Å; I72-L178 HydrophobicContact CG2-CG 4.39Å; C74-L178 HydrophobicContact CB-CD1 4.05Å; L174-L178 VanDerWaalsContact O-CG 3.25Å; L174-L178 WeakPolarHBondContact O-CG 3.49Å; L174-L178 PolarHBondContact O-N 3.45Å; N175-L178 WeakPolarHBondContact O-CA 3.4Å; N175-L178 WeakPolarHBondContact O-CB 3.31Å; N175-L178 PolarHBondContact O-N 3.43Å; L178-R184 VanDerWaalsContact O-CD 3.3Å; L178-R184 WeakPolarHBondContact O-CD 3.45Å; L178-M189 HydrophobicContact CD2-CE 3.5Å; L178-M189 VanDerWaalsContact CD2-CE 3.5Å; L178-M189 HydrophobicContact CG-CE 3.68Å; L178-L193 HydrophobicContact CD2-CD1 3.88Å
179	E	83.1	Confident	83.1	Confident	166 Å²	166	44.6 Å²	44.6	78%	0.776	22%	0.215	S	C	*	.	H	α-helix	trans	-69.5	-34.9	169.2	-68.2	-170.2	179.7	0	0	111.8	N175 G181	N175-E179 PolarHBondContact O-N 3.22Å; E179-G181 PolarHBondContact O-N 2.94Å; E179-G181 VanDerWaalsContact O-N 3.08Å
180	N	80.6	Confident	83.6	Confident	20 Å²	20	39.9 Å²	39.9	11%	0.107	20%	0.197	C	C	.	.	S	Bend	trans	-72.6	104	176.4	-166.3	-35.9	0	0	0	111.5	Q143 D176 F182 C183 R184	Q143-N180 PolarHBondContact O-ND2 3.37Å; D176-N180 PolarHBondContact O-N 3.17Å; N180-F182 PolarHBondContact O-N 2.78Å; N180-F182 PolarHBondContact OD1-N 3.47Å; N180-F182 VanDerWaalsContact OD1-N 3.15Å; N180-C183 HydrophobicContact CB-CB 4.25Å; N180-C183 PolarHBondContact O-N 3.24Å; N180-R184 WeakPolarHBondContact O-CB 3.19Å; N180-R184 PolarHBondContact O-N 3.02Å
181	G	74.4	Confident	83.8	Confident	22 Å²	22	43.1 Å²	43.1	23%	0.227	21%	0.212	C	C	.	.	H	α-helix	trans	-55.9	-21.9	-178	0	0	0	0	0	116.2	E179 N185	E179-G181 PolarHBondContact O-N 2.94Å; E179-G181 VanDerWaalsContact O-N 3.08Å; G181-N185 PolarHBondContact O-ND2 2.7Å
182	F	77.6	Confident	83.9	Confident	38 Å²	38	41.8 Å²	41.8	17%	0.167	21%	0.206	C	C	.	.	H	α-helix	trans	-72.9	-53.8	169.9	169.7	-108.2	0	0	0	111	H124 L128 L144 M147 N180 R184 N185 D186	H124-F182 HydrophobicContact CB-CZ 4.3Å; H124-F182 AromaticContact ND1-CZ 3.94Å; L128-F182 HydrophobicContact CD1-CD2 4.36Å; L128-F182 HydrophobicContact CD1-CE2 3.31Å; L128-F182 HydrophobicContact CD1-CZ 3.43Å; L128-F182 VanDerWaalsContact CD1-CZ 3.43Å; L144-F182 HydrophobicContact CD2-CD1 3.67Å; L144-F182 HydrophobicContact CD2-CD2 4.26Å; L144-F182 HydrophobicContact CD2-CE1 3.71Å; L144-F182 HydrophobicContact CD2-CE2 4.31Å; L144-F182 HydrophobicContact CD2-CG 3.97Å; L144-F182 HydrophobicContact CD2-CZ 4.05Å; M147-F182 HydrophobicContact SD-CD1 3.61Å; M147-F182 HydrophobicContact SD-CE1 3.78Å; N180-F182 PolarHBondContact O-N 2.78Å; N180-F182 PolarHBondContact OD1-N 3.47Å; N180-F182 VanDerWaalsContact OD1-N 3.15Å; F182-R184 PolarHBondContact O-N 2.85Å; F182-N185 PolarHBondContact O-N 3.01Å; F182-D186 PolarHBondContact O-N 2.94Å
183	C	80.4	Confident	84.2	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-64.6	-41.4	-179.1	-59.8	0	0	0	0	112.3	L121 M147 L177 N180 N185 D186 M189	L121-C183 HydrophobicContact CD1-CB 4.49Å; L121-C183 HydrophobicContact CD2-CB 4.28Å; M147-C183 VanDerWaalsContact CE-SG 3.56Å; L177-C183 HydrophobicContact CB-CB 4.42Å; L177-C183 HydrophobicContact CD2-CB 4.1Å; L177-C183 VanDerWaalsContact O-CB 3.26Å; L177-C183 WeakPolarHBondContact O-CB 3.19Å; N180-C183 HydrophobicContact CB-CB 4.25Å; N180-C183 PolarHBondContact O-N 3.24Å; C183-N185 PolarHBondContact O-N 3.04Å; C183-D186 PolarHBondContact O-N 2.84Å; C183-D186 VanDerWaalsContact O-N 3.17Å; C183-M189 WeakPolarHBondContact O-CB 3.43Å; C183-M189 WeakPolarHBondContact O-CG 3.16Å
184	R	81.8	Confident	84.4	Confident	38 Å²	38	37.4 Å²	37.4	14%	0.143	19%	0.187	C	C	.	.	H	α-helix	trans	-53.4	-36.7	178.3	172.9	172.8	160.7	159.3	-1.7	113.5	L66 M67 T70 L177 L178 N180 F182	L66-R184 HydrophobicContact CD1-CG 3.42Å; L66-R184 VanDerWaalsContact CD1-CG 3.42Å; L66-R184 WeakPolarHBondContact CD1-O 3.35Å; M67-R184 PolarHBondContact O-NH2 3.22Å; T70-R184 PolarHBondContact O-NH1 3.17Å; T70-R184 PolarHBondContact O-NH2 3.08Å; L177-R184 PolarHBondContact O-N 3.27Å; L178-R184 VanDerWaalsContact O-CD 3.3Å; L178-R184 WeakPolarHBondContact O-CD 3.45Å; N180-R184 WeakPolarHBondContact O-CB 3.19Å; N180-R184 PolarHBondContact O-N 3.02Å; F182-R184 PolarHBondContact O-N 2.85Å
185	N	80.8	Confident	84.6	Confident	65 Å²	65	37.3 Å²	37.3	35%	0.348	19%	0.187	S	C	.	.	H	α-helix	trans	-101.5	-2.5	-177.3	-62.4	-61.1	0	0	0	113.6	G181 F182 C183	G181-N185 PolarHBondContact O-ND2 2.7Å; F182-N185 PolarHBondContact O-N 3.01Å; C183-N185 PolarHBondContact O-N 3.04Å
186	D	83.8	Confident	84.6	Confident	11 Å²	11	35.6 Å²	35.6	6%	0.059	18%	0.177	C	C	.	.			trans	-64.3	141.2	178.2	-178.5	-104.9	0	0	0	111.8	L121 H124 F182 C183 S188 M189 L190	L121-D186 HydrophobicContact CD2-CB 3.55Å; L121-D186 WeakPolarHBondContact CD2-OD1 3.44Å; H124-D186 IonicContact CE1-OD2 3.92Å; H124-D186 IonicContact CG-OD2 2.74Å; H124-D186 IonicContact ND1-OD2 3.19Å; H124-D186 PolarHBondContact ND1-OD2 3.12Å; F182-D186 PolarHBondContact O-N 2.94Å; C183-D186 PolarHBondContact O-N 2.84Å; C183-D186 VanDerWaalsContact O-N 3.17Å; D186-S188 PolarHBondContact O-N 3.19Å; D186-S188 VanDerWaalsContact O-N 3.17Å; D186-S188 WeakPolarHBondContact OD1-CA 3.32Å; D186-S188 WeakPolarHBondContact OD1-CB 3.37Å; D186-S188 PolarHBondContact OD1-N 3.16Å; D186-S188 PolarHBondContact OD1-OG 2.88Å; D186-M189 HydrophobicContact CB-CB 4.43Å; D186-M189 WeakPolarHBondContact O-CA 3.36Å; D186-M189 WeakPolarHBondContact O-CB 3.29Å; D186-M189 PolarHBondContact O-N 2.9Å; D186-L190 WeakPolarHBondContact O-CG 3.03Å; D186-L190 PolarHBondContact O-N 2.91Å
187	R	82.7	Confident	84.5	Confident	116 Å²	116	30.9 Å²	30.9	44%	0.438	15%	0.152	S	C	.	.	H	α-helix	trans	-52.7	-40.2	178.4	-179.1	179.6	173.5	117.9	18.6	112.7	M189 L190 E191 R254	R187-M189 VanDerWaalsContact C-N 3.32Å; R187-M189 PolarHBondContact O-N 3.32Å; R187-L190 PolarHBondContact O-N 2.65Å; R187-E191 HydrophobicContact CG-CG 4.44Å; R187-E191 IonicContact CZ-OE1 2.78Å; R187-E191 IonicContact NE-OE1 3.54Å; R187-E191 PolarHBondContact NE-OE1 2.98Å; R187-E191 IonicContact NH2-OE1 2.85Å; R187-E191 PolarHBondContact NH2-OE1 3.27Å; R187-E191 WeakPolarHBondContact O-CB 3.33Å; R187-E191 WeakPolarHBondContact O-CG 3.29Å; R187-E191 PolarHBondContact O-N 2.7Å; R187-R254 PolarHBondContact NH2-O 2.85Å
188	S	85.6	Confident	84.7	Confident	37 Å²	37	30 Å²	30	26%	0.259	15%	0.148	S	C	.	.	H	α-helix	trans	-67.1	-35.9	-179.3	-33.8	0	0	0	0	111.3	D186 F192	D186-S188 PolarHBondContact O-N 3.19Å; D186-S188 VanDerWaalsContact O-N 3.17Å; D186-S188 WeakPolarHBondContact OD1-CA 3.32Å; D186-S188 WeakPolarHBondContact OD1-CB 3.37Å; D186-S188 PolarHBondContact OD1-N 3.16Å; D186-S188 PolarHBondContact OD1-OG 2.88Å; S188-F192 VanDerWaalsContact O-CB 3.3Å; S188-F192 WeakPolarHBondContact O-CB 3.33Å; S188-F192 PolarHBondContact O-N 3.29Å
189	M	88.8	Confident	84.8	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-71.2	-44.5	175	-168.4	59.6	166.5	0	0	111.1	L117 L174 L177 L178 C183 D186 R187 E191 F192 L193	L117-M189 HydrophobicContact CD1-CB 4.22Å; L117-M189 HydrophobicContact CD1-SD 3.9Å; L117-M189 HydrophobicContact CD2-SD 3.66Å; L117-M189 HydrophobicContact CG-SD 4.37Å; L174-M189 HydrophobicContact CD2-CE 4.26Å; L177-M189 HydrophobicContact CB-CE 4.04Å; L178-M189 HydrophobicContact CD2-CE 3.5Å; L178-M189 VanDerWaalsContact CD2-CE 3.5Å; L178-M189 HydrophobicContact CG-CE 3.68Å; C183-M189 WeakPolarHBondContact O-CB 3.43Å; C183-M189 WeakPolarHBondContact O-CG 3.16Å; D186-M189 HydrophobicContact CB-CB 4.43Å; D186-M189 WeakPolarHBondContact O-CA 3.36Å; D186-M189 WeakPolarHBondContact O-CB 3.29Å; D186-M189 PolarHBondContact O-N 2.9Å; R187-M189 VanDerWaalsContact C-N 3.32Å; R187-M189 PolarHBondContact O-N 3.32Å; M189-E191 PolarHBondContact O-N 3.39Å; M189-F192 CarbonylContact O-C 3.55Å; M189-F192 WeakPolarHBondContact O-CB 3.14Å; M189-F192 PolarHBondContact O-N 3.31Å; M189-F192 VanDerWaalsContact O-N 3.11Å; M189-L193 HydrophobicContact CE-CD1 4.34Å; M189-L193 HydrophobicContact CE-CD2 4.38Å; M189-L193 HydrophobicContact CE-CG 4.47Å; M189-L193 HydrophobicContact CG-CD1 3.9Å; M189-L193 HydrophobicContact CG-CG 4.36Å; M189-L193 WeakPolarHBondContact O-CB 3.46Å; M189-L193 VanDerWaalsContact O-CG 3.23Å; M189-L193 WeakPolarHBondContact O-CG 3.46Å; M189-L193 PolarHBondContact O-N 2.8Å; M189-L193 HydrophobicContact SD-CD1 4.48Å; M189-L193 HydrophobicContact SD-CG 4.43Å
190	L	88.6	Confident	85	Confident	16 Å²	16	21.8 Å²	21.8	8%	0.084	11%	0.109	C	C	.	.	H	α-helix	trans	-62.3	-42.6	175.6	-63.5	171.2	0	0	0	111.8	Y65 L66 D186 R187 F192 L193 S194 V195	Y65-L190 HydrophobicContact CD2-CD1 3.98Å; Y65-L190 HydrophobicContact CG-CD1 4.44Å; L66-L190 HydrophobicContact CD1-CD2 4.12Å; L66-L190 HydrophobicContact CG-CD2 4.22Å; D186-L190 WeakPolarHBondContact O-CG 3.03Å; D186-L190 PolarHBondContact O-N 2.91Å; R187-L190 PolarHBondContact O-N 2.65Å; L190-F192 PolarHBondContact O-N 3.03Å; L190-L193 PolarHBondContact O-N 3.06Å; L190-S194 PolarHBondContact O-N 2.96Å; L190-S194 VanDerWaalsContact O-N 3.08Å; L190-V195 HydrophobicContact CD2-CB 3.99Å; L190-V195 HydrophobicContact CD2-CG1 3.83Å; L190-V195 PolarHBondContact O-N 3.07Å
191	E	87.6	Confident	85.3	Confident	69 Å²	69	20.9 Å²	20.9	32%	0.322	10%	0.104	S	C	.	.	H	α-helix	trans	-64.2	-36.2	171.6	-71.5	-168.4	-156	0	0	112.1	R187 M189 S194 W241	R187-E191 HydrophobicContact CG-CG 4.44Å; R187-E191 IonicContact CZ-OE1 2.78Å; R187-E191 IonicContact NE-OE1 3.54Å; R187-E191 PolarHBondContact NE-OE1 2.98Å; R187-E191 IonicContact NH2-OE1 2.85Å; R187-E191 PolarHBondContact NH2-OE1 3.27Å; R187-E191 WeakPolarHBondContact O-CB 3.33Å; R187-E191 WeakPolarHBondContact O-CG 3.29Å; R187-E191 PolarHBondContact O-N 2.7Å; M189-E191 PolarHBondContact O-N 3.39Å; E191-S194 PolarHBondContact O-N 3.3Å; E191-W241 HydrophobicContact CG-CZ3 4.13Å
192	F	89.8	Confident	85.8	Confident	13 Å²	13	22 Å²	22	6%	0.057	11%	0.107	C	C	.	.	H	α-helix	trans	-68.6	-38.3	174.4	179.6	-86.8	0	0	0	112.8	R109 H113 F114 L117 L174 S188 M189 L190 S194	R109-F192 HydrophobicContact CB-CE2 4.28Å; R109-F192 HydrophobicContact CB-CZ 4.24Å; R109-F192 HydrophobicContact CG-CE1 4.43Å; R109-F192 HydrophobicContact CG-CE2 3.99Å; R109-F192 HydrophobicContact CG-CZ 3.89Å; R109-F192 PolarHBondContact NE-O 3.14Å; R109-F192 PolarHBondContact NH2-O 3.21Å; H113-F192 HydrophobicContact CB-CD2 4.36Å; H113-F192 HydrophobicContact CB-CE2 4.08Å; F114-F192 HydrophobicContact CD1-CE2 4.48Å; F114-F192 AromaticContact CD1-CZ 3.97Å; F114-F192 HydrophobicContact CD1-CZ 3.97Å; F114-F192 HydrophobicContact CD2-CE2 4.14Å; F114-F192 HydrophobicContact CD2-CZ 4.14Å; F114-F192 AromaticContact CE1-CZ 3.96Å; F114-F192 HydrophobicContact CE1-CZ 3.96Å; F114-F192 HydrophobicContact CE2-CE2 4.46Å; F114-F192 HydrophobicContact CE2-CZ 4.11Å; F114-F192 HydrophobicContact CG-CE2 4.15Å; F114-F192 HydrophobicContact CG-CZ 4.07Å; F114-F192 HydrophobicContact CZ-CZ 4.02Å; L117-F192 HydrophobicContact CB-CD2 4.07Å; L117-F192 HydrophobicContact CB-CG 4.48Å; L117-F192 HydrophobicContact CD1-CB 4.06Å; L117-F192 HydrophobicContact CD2-CB 4.21Å; L117-F192 HydrophobicContact CD2-CD1 3.92Å; L117-F192 HydrophobicContact CD2-CD2 3.95Å; L117-F192 HydrophobicContact CD2-CE1 4.26Å; L117-F192 HydrophobicContact CD2-CE2 4.27Å; L117-F192 HydrophobicContact CD2-CG 3.76Å; L117-F192 HydrophobicContact CD2-CZ 4.42Å; L117-F192 HydrophobicContact CG-CG 4.47Å; L174-F192 HydrophobicContact CD1-CE1 3.93Å; L174-F192 HydrophobicContact CD1-CZ 4.26Å; L174-F192 HydrophobicContact CD2-CD1 4.44Å; L174-F192 HydrophobicContact CD2-CE1 3.72Å; L174-F192 HydrophobicContact CD2-CZ 4.18Å; S188-F192 VanDerWaalsContact O-CB 3.3Å; S188-F192 WeakPolarHBondContact O-CB 3.33Å; S188-F192 PolarHBondContact O-N 3.29Å; M189-F192 CarbonylContact O-C 3.55Å; M189-F192 WeakPolarHBondContact O-CB 3.14Å; M189-F192 PolarHBondContact O-N 3.31Å; M189-F192 VanDerWaalsContact O-N 3.11Å; L190-F192 PolarHBondContact O-N 3.03Å; F192-S194 VanDerWaalsContact C-N 3.26Å; F192-S194 PolarHBondContact O-N 3.26Å
193	L	90.3	Very high	86.2	Confident	2 Å²	2	21.9 Å²	21.9	1%	0.01	11%	0.107	C	C	.	.	H	α-helix	trans	-78.7	-6.5	177.8	-64	167.6	0	0	0	113.2	I72 L98 W105 L178 M189 L190 V195	I72-L193 HydrophobicContact CD1-CD1 4.19Å; L98-L193 HydrophobicContact CD1-CB 4.42Å; L98-L193 HydrophobicContact CD1-CD2 3.7Å; L98-L193 HydrophobicContact CD2-CD2 3.79Å; L98-L193 HydrophobicContact CG-CD2 4.43Å; W105-L193 PolarHBondContact NE1-O 2.94Å; L178-L193 HydrophobicContact CD2-CD1 3.88Å; M189-L193 HydrophobicContact CE-CD1 4.34Å; M189-L193 HydrophobicContact CE-CD2 4.38Å; M189-L193 HydrophobicContact CE-CG 4.47Å; M189-L193 HydrophobicContact CG-CD1 3.9Å; M189-L193 HydrophobicContact CG-CG 4.36Å; M189-L193 WeakPolarHBondContact O-CB 3.46Å; M189-L193 VanDerWaalsContact O-CG 3.23Å; M189-L193 WeakPolarHBondContact O-CG 3.46Å; M189-L193 PolarHBondContact O-N 2.8Å; M189-L193 HydrophobicContact SD-CD1 4.48Å; M189-L193 HydrophobicContact SD-CG 4.43Å; L190-L193 PolarHBondContact O-N 3.06Å; L193-V195 VanDerWaalsContact C-N 3.33Å; L193-V195 HydrophobicContact CB-CB 4.45Å; L193-V195 HydrophobicContact CB-CG2 3.76Å
194	S	89.8	Confident	86.6	Confident	6 Å²	6	22 Å²	22	4%	0.042	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	56	43.1	-168.3	-78.9	0	0	0	0	112.5	R109 L190 E191 F192 K207 E210	R109-S194 PolarHBondContact NH2-OG 2.98Å; L190-S194 PolarHBondContact O-N 2.96Å; L190-S194 VanDerWaalsContact O-N 3.08Å; E191-S194 PolarHBondContact O-N 3.3Å; F192-S194 VanDerWaalsContact C-N 3.26Å; F192-S194 PolarHBondContact O-N 3.26Å; S194-K207 WeakPolarHBondContact O-CE 3.41Å; S194-K207 PolarHBondContact O-NZ 3.15Å; S194-E210 WeakPolarHBondContact CB-O 3.41Å; S194-E210 WeakPolarHBondContact O-CB 3.36Å; S194-E210 PolarHBondContact OG-O 2.67Å
195	V	89.6	Confident	86.7	Confident	1 Å²	1	20.5 Å²	20.5	1%	0.006	10%	0.104	C	C	.	.			trans	-104.2	133.4	179	173.9	0	0	0	0	110.9	L66 W105 L190 L193 F200 W241	L66-V195 HydrophobicContact CD2-CG1 4.42Å; W105-V195 HydrophobicContact CH2-CG2 4.34Å; W105-V195 HydrophobicContact CZ2-CG2 3.62Å; L190-V195 HydrophobicContact CD2-CB 3.99Å; L190-V195 HydrophobicContact CD2-CG1 3.83Å; L190-V195 PolarHBondContact O-N 3.07Å; L193-V195 VanDerWaalsContact C-N 3.33Å; L193-V195 HydrophobicContact CB-CB 4.45Å; L193-V195 HydrophobicContact CB-CG2 3.76Å; V195-F200 HydrophobicContact CG1-CE2 3.58Å; V195-F200 HydrophobicContact CG1-CZ 3.88Å; V195-F200 HydrophobicContact CG2-CZ 3.99Å; V195-W241 WeakPolarHBondContact O-CZ2 3.28Å
196	G	86.5	Confident	87	Confident	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.108	C	C	.	.			trans	-138.6	178.7	176.3	0	0	0	0	0	111.8	L198 S199	G196-L198 PolarHBondContact O-N 3.09Å; G196-L198 VanDerWaalsContact O-N 3.09Å; G196-S199 PolarHBondContact N-OG 3.03Å; G196-S199 WeakPolarHBondContact O-CB 3.47Å; G196-S199 PolarHBondContact O-N 3.48Å; G196-S199 VanDerWaalsContact O-N 3.08Å; G196-S199 PolarHBondContact O-OG 2.99Å; G196-S199 VanDerWaalsContact O-OG 3.13Å
197	A	83.1	Confident	87.2	Confident	2 Å²	2	20.2 Å²	20.2	2%	0.017	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-22.4	-174.7	0	0	0	0	0	114.4	L55 Y65	L55-A197 HydrophobicContact CD2-CB 3.61Å; Y65-A197 HydrophobicContact CD1-CB 4.42Å; Y65-A197 HydrophobicContact CE1-CB 4.22Å
198	L	87.5	Confident	87.4	Confident	1 Å²	1	15.5 Å²	15.5	1%	0.005	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	4	180	-59.3	-179.7	0	0	0	114.1	I52 L55 G196 F200 L204 V243 L250 M252 I259	I52-L198 HydrophobicContact CB-CD2 4.3Å; I52-L198 HydrophobicContact CG2-CD2 3.69Å; L55-L198 HydrophobicContact CD1-CD2 4.37Å; L55-L198 HydrophobicContact CD2-CD2 4.11Å; G196-L198 PolarHBondContact O-N 3.09Å; G196-L198 VanDerWaalsContact O-N 3.09Å; L198-F200 PolarHBondContact O-N 2.65Å; L198-L204 HydrophobicContact CD2-CD1 4.35Å; L198-V243 HydrophobicContact CD1-CG2 4.49Å; L198-L250 HydrophobicContact CD1-CD1 4.22Å; L198-L250 HydrophobicContact CD1-CD2 3.86Å; L198-M252 HydrophobicContact CD1-CE 3.88Å; L198-M252 HydrophobicContact CD1-SD 3.85Å; L198-M252 HydrophobicContact CG-CE 4.02Å; L198-M252 HydrophobicContact CG-SD 4.2Å; L198-I259 HydrophobicContact CD1-CD1 4.37Å
199	S	87.3	Confident	87.6	Confident	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-35.1	-174	-70.2	0	0	0	0	114.3	G196 K207 E210	G196-S199 PolarHBondContact N-OG 3.03Å; G196-S199 WeakPolarHBondContact O-CB 3.47Å; G196-S199 PolarHBondContact O-N 3.48Å; G196-S199 VanDerWaalsContact O-N 3.08Å; G196-S199 PolarHBondContact O-OG 2.99Å; G196-S199 VanDerWaalsContact O-OG 3.13Å; S199-K207 WeakPolarHBondContact O-CB 3.5Å; S199-K207 WeakPolarHBondContact O-CG 3.42Å; S199-K207 VanDerWaalsContact OG-CE 3.32Å; S199-K207 WeakPolarHBondContact OG-CE 3.47Å; S199-K207 PolarHBondContact OG-NZ 2.66Å; S199-E210 WeakPolarHBondContact CA-OE1 3.44Å; S199-E210 WeakPolarHBondContact CB-OE1 3.45Å; S199-E210 PolarHBondContact OG-OE1 2.75Å
200	F	88.3	Confident	87.7	Confident	1 Å²	1	14.4 Å²	14.4	0%	0.004	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.7	27.1	-168.4	-45.7	-62.9	0	0	0	113	R47 Y65 L66 M67 H100 F103 W105 V195 L198 K207	R47-F200 WeakPolarHBondContact CB-O 3.25Å; R47-F200 PolarHBondContact N-O 3.46Å; Y65-F200 VanDerWaalsContact O-CD2 3.26Å; Y65-F200 WeakPolarHBondContact O-CD2 3.34Å; Y65-F200 WeakPolarHBondContact O-CE2 3.35Å; L66-F200 HydrophobicContact CD2-CE2 3.74Å; L66-F200 HydrophobicContact CD2-CZ 3.81Å; L66-F200 HydrophobicContact CG-CE2 4.49Å; M67-F200 HydrophobicContact CG-CB 4.49Å; H100-F200 HydrophobicContact CB-CE1 4.34Å; H100-F200 AromaticContact CD2-CE1 3.75Å; H100-F200 AromaticContact CD2-CE2 3.91Å; H100-F200 AromaticContact CD2-CZ 3.66Å; F103-F200 HydrophobicContact CB-CD1 3.87Å; F103-F200 HydrophobicContact CB-CE1 4.19Å; F103-F200 HydrophobicContact CD1-CD1 4.35Å; F103-F200 HydrophobicContact CD2-CB 4.04Å; F103-F200 AromaticContact CD2-CD1 3.69Å; F103-F200 HydrophobicContact CD2-CD1 3.69Å; F103-F200 HydrophobicContact CD2-CG 4.31Å; F103-F200 HydrophobicContact CE2-CB 3.81Å; F103-F200 HydrophobicContact CE2-CD1 4.33Å; F103-F200 AromaticContact CG-CD1 3.71Å; F103-F200 HydrophobicContact CG-CD1 3.71Å; F103-F200 HydrophobicContact CZ-CB 4.18Å; F103-F200 WeakPolarHBondContact CZ-O 3.35Å; W105-F200 AromaticContact CH2-CE1 3.91Å; W105-F200 HydrophobicContact CH2-CE1 3.91Å; W105-F200 AromaticContact CH2-CZ 3.96Å; W105-F200 HydrophobicContact CH2-CZ 3.96Å; W105-F200 AromaticContact CZ3-CE1 3.9Å; W105-F200 HydrophobicContact CZ3-CE1 3.9Å; W105-F200 HydrophobicContact CZ3-CZ 4.43Å; V195-F200 HydrophobicContact CG1-CE2 3.58Å; V195-F200 HydrophobicContact CG1-CZ 3.88Å; V195-F200 HydrophobicContact CG2-CZ 3.99Å; L198-F200 PolarHBondContact O-N 2.65Å; F200-K207 HydrophobicContact CE1-CD 4.19Å
201	V	87.4	Confident	87.7	Confident	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.081	C	C	.	.	B	Isolated β-bridge	trans	-82.5	116.7	171.9	179.4	0	0	0	0	108.3	R47 F49 V51 L204	R47-V201 HydrophobicContact CB-CG2 4.26Å; R47-V201 WeakPolarHBondContact O-CA 3.36Å; F49-V201 HydrophobicContact CB-CG1 4.48Å; V51-V201 HydrophobicContact CG1-CG2 4.27Å; V201-L204 HydrophobicContact CB-CB 4.35Å; V201-L204 HydrophobicContact CB-CD1 4.07Å; V201-L204 HydrophobicContact CB-CG 4.15Å; V201-L204 HydrophobicContact CG1-CB 4.36Å; V201-L204 HydrophobicContact CG1-CD1 4.15Å; V201-L204 HydrophobicContact CG1-CG 3.86Å; V201-L204 PolarHBondContact O-N 2.62Å
202	T	84.8	Confident	87.8	Confident	47 Å²	47	13.5 Å²	13.5	29%	0.288	9%	0.085	S	C	.	.	G	3₁₀ helix	trans	-63.9	-47	-170.1	50.5	0	0	0	0	112.7	R47 F103 L204 G205	R47-T202 PolarHBondContact O-N 2.97Å; R47-T202 VanDerWaalsContact O-N 3.08Å; R47-T202 PolarHBondContact O-OG1 2.87Å; F103-T202 HydrophobicContact CZ-CG2 4.15Å; T202-L204 PolarHBondContact O-N 2.74Å; T202-L204 VanDerWaalsContact O-N 3.13Å; T202-G205 WeakPolarHBondContact O-CA 3.24Å; T202-G205 PolarHBondContact O-N 3.05Å
203	E	86.2	Confident	87.9	Confident	35 Å²	35	13.1 Å²	13.1	16%	0.164	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-71.3	-6.8	-177.3	-58.9	173.6	-106.1	0	0	113.4	F49 G205 Q360 K606 S607	F49-E203 HydrophobicContact CB-CB 3.98Å; F49-E203 HydrophobicContact CB-CG 4.25Å; F49-E203 WeakPolarHBondContact CB-OE1 3.34Å; F49-E203 HydrophobicContact CD2-CB 3.96Å; F49-E203 HydrophobicContact CG-CB 4.4Å; F49-E203 PolarHBondContact N-OE1 3.41Å; F49-E203 VanDerWaalsContact N-OE1 3.11Å; E203-G205 VanDerWaalsContact C-N 3.26Å; E203-Q360 PolarHBondContact OE1-NE2 2.75Å; E203-Q360 PolarHBondContact OE2-NE2 2.62Å; E203-Q360 PolarHBondContact OE2-OE1 2.76Å; E203-K606 HydrophobicContact CB-CD 4.19Å; E203-K606 HydrophobicContact CB-CG 4.28Å; E203-K606 CarbonylContact O-C 3.59Å; E203-K606 VanDerWaalsContact O-CA 3.3Å; E203-K606 WeakPolarHBondContact O-CA 3.37Å; E203-K606 WeakPolarHBondContact O-CB 3.33Å; E203-K606 WeakPolarHBondContact OE2-CD 3.18Å; E203-K606 VanDerWaalsContact OE2-CE 3.23Å; E203-K606 WeakPolarHBondContact OE2-CE 3.42Å; E203-K606 IonicContact OE2-NZ 3.11Å; E203-K606 PolarHBondContact OE2-NZ 3.41Å; E203-S607 PolarHBondContact O-N 3.22Å
204	L	87.8	Confident	87.8	Confident	2 Å²	2	14.7 Å²	14.7	1%	0.01	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-89.9	13.9	165.7	-63.8	-175.6	0	0	0	112.6	F49 I52 L198 V201 T202 F248 L604	F49-L204 HydrophobicContact CD2-CD2 4.01Å; F49-L204 HydrophobicContact CD2-CG 4.31Å; F49-L204 HydrophobicContact CE2-CD2 3.6Å; F49-L204 HydrophobicContact CE2-CG 4.38Å; I52-L204 HydrophobicContact CG2-CD1 4.15Å; L198-L204 HydrophobicContact CD2-CD1 4.35Å; V201-L204 HydrophobicContact CB-CB 4.35Å; V201-L204 HydrophobicContact CB-CD1 4.07Å; V201-L204 HydrophobicContact CB-CG 4.15Å; V201-L204 HydrophobicContact CG1-CB 4.36Å; V201-L204 HydrophobicContact CG1-CD1 4.15Å; V201-L204 HydrophobicContact CG1-CG 3.86Å; V201-L204 PolarHBondContact O-N 2.62Å; T202-L204 PolarHBondContact O-N 2.74Å; T202-L204 VanDerWaalsContact O-N 3.13Å; L204-F248 HydrophobicContact CD2-CE1 4.39Å; L204-F248 HydrophobicContact CD2-CZ 4.11Å; L204-L604 HydrophobicContact CD1-CD1 4.23Å; L204-L604 HydrophobicContact CD2-CB 4.34Å; L204-L604 HydrophobicContact CD2-CD1 4.31Å
205	G	85.3	Confident	87.8	Confident	6 Å²	6	15.7 Å²	15.7	6%	0.062	10%	0.096	C	C	.	.			trans	65.6	-147.5	176.9	0	0	0	0	0	112.9	T202 E203 S607	T202-G205 WeakPolarHBondContact O-CA 3.24Å; T202-G205 PolarHBondContact O-N 3.05Å; E203-G205 VanDerWaalsContact C-N 3.26Å; G205-S607 VanDerWaalsContact CA-CB 3.48Å
206	P	85.3	Confident	87.6	Confident	69 Å²	69	17.8 Å²	17.8	45%	0.448	10%	0.103	S	C	.	.	S	Bend	trans	-59.4	155.7	-179.3	25.9	-34.3	0	0	0	111.5	G208 K245	P206-G208 PolarHBondContact O-N 2.91Å; P206-G208 VanDerWaalsContact O-N 3.12Å; P206-K245 PolarHBondContact O-NZ 2.94Å
207	K	88.1	Confident	87.1	Confident	2 Å²	2	19.2 Å²	19.2	1%	0.009	11%	0.113	C	C	.	.			trans	-51.2	-42.8	-179.1	179	-178.4	-180	-40.6	0	111.9	F103 W105 S194 S199 F200 E210 K245	F103-K207 HydrophobicContact CD1-CB 4.26Å; W105-K207 HydrophobicContact CB-CD 3.99Å; W105-K207 HydrophobicContact CD2-CD 3.37Å; W105-K207 HydrophobicContact CE3-CD 3.64Å; W105-K207 HydrophobicContact CG-CD 3.56Å; W105-K207 HydrophobicContact CZ2-CD 4.36Å; W105-K207 HydrophobicContact CZ3-CD 4.25Å; S194-K207 WeakPolarHBondContact O-CE 3.41Å; S194-K207 PolarHBondContact O-NZ 3.15Å; S199-K207 WeakPolarHBondContact O-CB 3.5Å; S199-K207 WeakPolarHBondContact O-CG 3.42Å; S199-K207 VanDerWaalsContact OG-CE 3.32Å; S199-K207 WeakPolarHBondContact OG-CE 3.47Å; S199-K207 PolarHBondContact OG-NZ 2.66Å; F200-K207 HydrophobicContact CE1-CD 4.19Å; K207-E210 IonicContact NZ-OE1 2.76Å; K207-E210 PolarHBondContact NZ-OE1 2.74Å; K207-K245 WeakPolarHBondContact O-CE 3.42Å; K207-K245 PolarHBondContact O-NZ 2.98Å
208	G	87.1	Confident	86.1	Confident	16 Å²	16	21.9 Å²	21.9	17%	0.165	14%	0.142	C	C	.	.			trans	74	-165.8	-178.6	0	0	0	0	0	112.9	P206 V244	P206-G208 PolarHBondContact O-N 2.91Å; P206-G208 VanDerWaalsContact O-N 3.12Å; G208-V244 WeakPolarHBondContact CA-O 3.2Å
209	L	89.7	Confident	84.3	Confident	12 Å²	12	25.8 Å²	25.8	6%	0.063	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	129.2	-175.7	176.3	70.8	0	0	0	110.6	V244 W306 W307 E310 I311 L314	L209-V244 HydrophobicContact CB-CB 4.21Å; L209-V244 PolarHBondContact N-O 3.32Å; L209-V244 PolarHBondContact O-N 2.59Å; L209-W306 HydrophobicContact CD1-CH2 3.74Å; L209-W306 HydrophobicContact CD1-CZ2 3.85Å; L209-W307 HydrophobicContact CD1-CZ3 4.33Å; L209-W307 HydrophobicContact CD2-CE3 3.57Å; L209-W307 HydrophobicContact CD2-CZ3 3.54Å; L209-W307 HydrophobicContact CG-CE3 4.23Å; L209-W307 HydrophobicContact CG-CZ3 3.69Å; L209-E310 HydrophobicContact CD2-CB 3.72Å; L209-I311 HydrophobicContact CD2-CG1 4.05Å; L209-L314 HydrophobicContact CB-CD1 3.5Å
210	E	91.3	Very high	82	Confident	2 Å²	2	32.8 Å²	32.8	1%	0.009	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	152.7	-177.5	-73.7	-172.5	-100.1	0	0	112.8	S194 S199 K207 W241 L242 V243	S194-E210 WeakPolarHBondContact CB-O 3.41Å; S194-E210 WeakPolarHBondContact O-CB 3.36Å; S194-E210 PolarHBondContact OG-O 2.67Å; S199-E210 WeakPolarHBondContact CA-OE1 3.44Å; S199-E210 WeakPolarHBondContact CB-OE1 3.45Å; S199-E210 PolarHBondContact OG-OE1 2.75Å; K207-E210 IonicContact NZ-OE1 2.76Å; K207-E210 PolarHBondContact NZ-OE1 2.74Å; E210-W241 HydrophobicContact CB-CZ2 4.06Å; E210-W241 PolarHBondContact OE2-NE1 3.44Å; E210-L242 VanDerWaalsContact CA-O 3.3Å; E210-L242 WeakPolarHBondContact CA-O 3.46Å; E210-V243 HydrophobicContact CG-CB 4.21Å; E210-V243 HydrophobicContact CG-CG1 3.91Å; E210-V243 HydrophobicContact CG-CG2 4.04Å
211	G	89.5	Confident	79.6	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.01	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	159.9	178.9	164.9	0	0	0	0	0	116.1	L242	G211-L242 PolarHBondContact N-O 2.87Å; G211-L242 VanDerWaalsContact N-O 3.09Å; G211-L242 PolarHBondContact O-N 2.85Å
212	P	89.6	Confident	77.2	Confident	65 Å²	65	46.3 Å²	46.3	42%	0.422	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	129	-176.7	29.9	-33.4	0	0	0	112.1	W241	P212-W241 HydrophobicContact CB-CE3 4.34Å; P212-W241 HydrophobicContact CB-CZ3 4.47Å; P212-W241 HydrophobicContact CG-CZ3 4.43Å
213	I	90.4	Very high	75.1	Confident	5 Å²	5	52.1 Å²	52.1	3%	0.026	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	163.7	179.2	60.2	155.1	0	0	0	112.2	K215 H239 R240 L242 I296 W307	I213-K215 HydrophobicContact CD1-CB 4.16Å; I213-H239 WeakPolarHBondContact O-CA 3.36Å; I213-R240 HydrophobicContact CD1-CB 4.25Å; I213-R240 HydrophobicContact CG1-CB 4Å; I213-R240 VanDerWaalsContact CG1-O 3.28Å; I213-R240 WeakPolarHBondContact CG1-O 3.47Å; I213-R240 PolarHBondContact N-O 2.88Å; I213-R240 PolarHBondContact O-N 2.96Å; I213-R240 VanDerWaalsContact O-N 3.11Å; I213-L242 HydrophobicContact CD1-CB 3.92Å; I213-L242 HydrophobicContact CD1-CD1 4Å; I213-L242 HydrophobicContact CD1-CG 4.46Å; I213-L242 HydrophobicContact CG1-CB 4.03Å; I213-L242 HydrophobicContact CG2-CB 3.75Å; I213-L242 HydrophobicContact CG2-CD2 4.35Å; I213-I296 HydrophobicContact CB-CG2 3.89Å; I213-I296 HydrophobicContact CD1-CD1 3.83Å; I213-I296 HydrophobicContact CD1-CG1 3.98Å; I213-I296 HydrophobicContact CG2-CD1 4.46Å; I213-I296 HydrophobicContact CG2-CG2 4.09Å; I213-W307 HydrophobicContact CG2-CH2 4.06Å; I213-W307 HydrophobicContact CG2-CZ2 3.61Å
214	I	90.2	Very high	73.1	Confident	36 Å²	36	53.2 Å²	53.2	19%	0.185	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	102.6	174.1	-58.6	178.5	0	0	0	108.2	W237 S238 I296 K297	I214-W237 HydrophobicContact CG2-CB 3.84Å; I214-W237 HydrophobicContact CG2-CD2 4.43Å; I214-W237 HydrophobicContact CG2-CE3 4.02Å; I214-W237 HydrophobicContact CG2-CG 4.41Å; I214-S238 CarbonylContact C-O 3.53Å; I214-S238 WeakPolarHBondContact CA-O 3.35Å; I214-I296 CarbonylContact O-C 3.35Å; I214-I296 WeakPolarHBondContact O-CA 3.44Å; I214-K297 HydrophobicContact CB-CB 4.33Å; I214-K297 HydrophobicContact CG2-CB 4.29Å; I214-K297 PolarHBondContact O-N 3.08Å
215	K	89.2	Confident	70.7	Confident	27 Å²	27	58.8 Å²	58.8	12%	0.117	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	133.1	-167.4	-173.3	-96.8	171.1	-167	0	111.9	I213 S238 R240 Y251 L294	I213-K215 HydrophobicContact CD1-CB 4.16Å; K215-S238 PolarHBondContact N-O 2.75Å; K215-S238 PolarHBondContact O-N 2.61Å; K215-S238 PolarHBondContact O-OG 3.18Å; K215-R240 HydrophobicContact CB-CB 4.39Å; K215-R240 HydrophobicContact CB-CG 4.03Å; K215-Y251 HydrophobicContact CD-CE1 4.08Å; K215-Y251 HydrophobicContact CD-CE2 4.37Å; K215-Y251 WeakPolarHBondContact CE-OH 3.32Å; K215-Y251 HydrophobicContact CG-CD1 4.44Å; K215-Y251 HydrophobicContact CG-CE1 4.24Å; K215-Y251 PolarHBondContact NZ-OH 3.1Å; K215-L294 HydrophobicContact CD-CD1 4.41Å; K215-L294 HydrophobicContact CG-CD1 3.67Å
216	R	85.4	Confident	68.5	Low	44 Å²	44	65.3 Å²	65.3	17%	0.166	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	143.7	-179.9	-160.1	174.1	70.1	179.1	0	112.2	G218 F235 W237 T278 I295	R216-G218 PolarHBondContact O-N 2.97Å; R216-F235 HydrophobicContact CG-CB 3.81Å; R216-F235 HydrophobicContact CG-CD1 4.31Å; R216-F235 HydrophobicContact CG-CG 4.11Å; R216-W237 HydrophobicContact CB-CE3 3.98Å; R216-W237 HydrophobicContact CB-CH2 3.9Å; R216-W237 HydrophobicContact CB-CZ3 3.58Å; R216-W237 HydrophobicContact CG-CE3 4.42Å; R216-W237 HydrophobicContact CG-CH2 3.96Å; R216-W237 HydrophobicContact CG-CZ2 4.13Å; R216-W237 HydrophobicContact CG-CZ3 4.09Å; R216-T278 PolarHBondContact NH1-O 3.34Å; R216-I295 HydrophobicContact CB-CB 4.02Å; R216-I295 HydrophobicContact CB-CG2 4.36Å; R216-I295 PolarHBondContact N-O 3.25Å; R216-I295 VanDerWaalsContact NH2-CD1 3.33Å
217	S	75	Confident	66.2	Low	30 Å²	30	66.2 Å²	66.2	21%	0.21	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-57.1	135.3	166.9	54.4	0	0	0	0	111.5	S236	S217-S236 WeakPolarHBondContact CB-OG 3.32Å; S217-S236 PolarHBondContact N-O 3.47Å; S217-S236 PolarHBondContact OG-N 3.08Å; S217-S236 PolarHBondContact OG-O 3.24Å
218	G	62.5	Low	64.1	Low	59 Å²	59	73.9 Å²	73.9	61%	0.608	43%	0.432	S	S	*	.			trans	-104.3	148	170.6	0	0	0	0	0	110.5	R216 H220	R216-G218 PolarHBondContact O-N 2.97Å; G218-H220 PolarHBondContact O-N 3.01Å
219	G	50.9	Low	61.9	Low	83 Å²	83	77.2 Å²	77.2	86%	0.856	47%	0.466	S	S	*	.	S	Bend	trans	94	-28.9	170.4	0	0	0	0	0	116.8
220	H	37.3	Very low	59.7	Low	147 Å²	147	83.4 Å²	83.4	68%	0.681	50%	0.495	S	S	*	.			trans	-113.4	112.1	178.2	-68.2	-80.8	0	0	0	112.5	G218	G218-H220 PolarHBondContact O-N 3.01Å
221	R	39.5	Very low	57.2	Low	206 Å²	206	91.7 Å²	91.7	78%	0.777	53%	0.533	S	S	*	.			trans	-75.7	115.4	149.2	-68.6	178.8	179.5	174.5	-0.4	106.2	L223	R221-L223 VanDerWaalsContact C-N 3.33Å; R221-L223 PolarHBondContact O-N 2.92Å
222	V	36.6	Very low	55.1	Low	78 Å²	78	101.8 Å²	101.8	47%	0.473	57%	0.571	S	S	.	*	B	Isolated β-bridge	trans	-76.5	91.2	170.8	-176.7	0	0	0	0	107.8	G224	V222-G224 PolarHBondContact O-N 2.87Å
223	L	39.6	Very low	53.4	Low	170 Å²	170	102.5 Å²	102.5	89%	0.89	57%	0.574	S	S	*	*			trans	-71.5	117.5	165.3	-86.3	162.6	0	0	0	107.9	R221	R221-L223 VanDerWaalsContact C-N 3.33Å; R221-L223 PolarHBondContact O-N 2.92Å
224	G	44.3	Very low	51.7	Low	58 Å²	58	105 Å²	105	60%	0.598	59%	0.591	S	S	*	*			trans	108.9	81.5	178.4	0	0	0	0	0	114.2	V222	V222-G224 PolarHBondContact O-N 2.87Å
225	L	38.6	Very low	50.6	Low	118 Å²	118	106.8 Å²	106.8	62%	0.618	60%	0.598	S	S	*	*			trans	-151.3	80.1	149.4	-116.1	165.9	0	0	0	107.5	C227	L225-C227 PolarHBondContact O-N 2.83Å
226	N	38.4	Very low	50.1	Low	144 Å²	144	109.4 Å²	109.4	77%	0.77	62%	0.62	S	S	*	*			trans	-71.7	98.6	-178.9	-87.7	-3	0	0	0	109.9
227	C	37.8	Very low	50.1	Low	88 Å²	88	111.1 Å²	111.1	60%	0.595	63%	0.626	S	S	*	*			trans	-122.2	102.7	170.5	-58.7	0	0	0	0	109.1	L225	L225-C227 PolarHBondContact O-N 2.83Å
228	I	42.4	Very low	50.7	Low	163 Å²	163	111.1 Å²	111.1	84%	0.836	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	58.4	74.3	167.7	-42.6	174.3	0	0	0	113.7	H230	I228-H230 PolarHBondContact O-N 2.78Å
229	G	42.2	Very low	52	Low	86 Å²	86	112.7 Å²	112.7	89%	0.887	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	70.3	-10.4	158.2	0	0	0	0	0	118.7
230	H	42.3	Very low	54	Low	141 Å²	141	112.1 Å²	112.1	65%	0.653	59%	0.589	S	S	*	*			trans	-121.4	127.6	-177.5	-64.8	-64.7	0	0	0	112.7	I228 R232	I228-H230 PolarHBondContact O-N 2.78Å; H230-R232 PolarHBondContact O-N 2.95Å
231	H	38.3	Very low	56.6	Low	177 Å²	177	105.4 Å²	105.4	82%	0.819	56%	0.558	S	S	*	*			trans	-70.5	71.4	171.2	-63.5	-57.8	0	0	0	112	V233	H231-V233 PolarHBondContact O-N 3.05Å
232	R	47.1	Very low	59.1	Low	212 Å²	212	95.6 Å²	95.6	80%	0.8	52%	0.521	S	S	*	.			trans	-74.7	112.7	171.7	-77.3	-172.4	168.1	-170.5	-2.2	110.1	H230 C234	H230-R232 PolarHBondContact O-N 2.95Å; R232-C234 PolarHBondContact O-N 2.87Å; R232-C234 VanDerWaalsContact O-N 3.09Å
233	V	52.7	Low	61.8	Low	81 Å²	81	91.9 Å²	91.9	49%	0.491	50%	0.499	S	S	.	.			trans	-69.2	105.7	175.1	-174	0	0	0	0	109.5	H231 F235	H231-V233 PolarHBondContact O-N 3.05Å; V233-F235 HydrophobicContact CB-CE2 4.12Å; V233-F235 HydrophobicContact CB-CZ 4.16Å; V233-F235 HydrophobicContact CG1-CD1 4.47Å; V233-F235 HydrophobicContact CG1-CD2 4.47Å; V233-F235 HydrophobicContact CG1-CE1 3.82Å; V233-F235 HydrophobicContact CG1-CE2 3.81Å; V233-F235 HydrophobicContact CG1-CZ 3.45Å; V233-F235 VanDerWaalsContact CG1-CZ 3.45Å; V233-F235 WeakPolarHBondContact O-CD2 3.36Å
234	C	55.3	Low	64.3	Low	58 Å²	58	83.8 Å²	83.8	39%	0.392	46%	0.456	S	S	.	.	B	Isolated β-bridge	trans	-79.7	123.4	177.6	-73.1	0	0	0	0	111	R232	R232-C234 PolarHBondContact O-N 2.87Å; R232-C234 VanDerWaalsContact O-N 3.09Å
235	F	68.1	Low	66.5	Low	73 Å²	73	81.1 Å²	81.1	32%	0.32	43%	0.428	S	S	.	.			trans	-114.9	139.6	171.3	-53.9	-81.1	0	0	0	109.3	R216 V233	R216-F235 HydrophobicContact CG-CB 3.81Å; R216-F235 HydrophobicContact CG-CD1 4.31Å; R216-F235 HydrophobicContact CG-CG 4.11Å; V233-F235 HydrophobicContact CB-CE2 4.12Å; V233-F235 HydrophobicContact CB-CZ 4.16Å; V233-F235 HydrophobicContact CG1-CD1 4.47Å; V233-F235 HydrophobicContact CG1-CD2 4.47Å; V233-F235 HydrophobicContact CG1-CE1 3.82Å; V233-F235 HydrophobicContact CG1-CE2 3.81Å; V233-F235 HydrophobicContact CG1-CZ 3.45Å; V233-F235 VanDerWaalsContact CG1-CZ 3.45Å; V233-F235 WeakPolarHBondContact O-CD2 3.36Å
236	S	77.6	Confident	68.9	Low	82 Å²	82	76.6 Å²	76.6	57%	0.573	41%	0.405	S	S	*	.			trans	-81.8	146.2	170.5	65.1	0	0	0	0	110.7	S217	S217-S236 WeakPolarHBondContact CB-OG 3.32Å; S217-S236 PolarHBondContact N-O 3.47Å; S217-S236 PolarHBondContact OG-N 3.08Å; S217-S236 PolarHBondContact OG-O 3.24Å
237	W	85.8	Confident	71.4	Confident	80 Å²	80	69.9 Å²	69.9	30%	0.303	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	134.8	-177.9	-67.4	94.1	0	0	0	109.1	I214 R216 T280 I295 K297	I214-W237 HydrophobicContact CG2-CB 3.84Å; I214-W237 HydrophobicContact CG2-CD2 4.43Å; I214-W237 HydrophobicContact CG2-CE3 4.02Å; I214-W237 HydrophobicContact CG2-CG 4.41Å; R216-W237 HydrophobicContact CB-CE3 3.98Å; R216-W237 HydrophobicContact CB-CH2 3.9Å; R216-W237 HydrophobicContact CB-CZ3 3.58Å; R216-W237 HydrophobicContact CG-CE3 4.42Å; R216-W237 HydrophobicContact CG-CH2 3.96Å; R216-W237 HydrophobicContact CG-CZ2 4.13Å; R216-W237 HydrophobicContact CG-CZ3 4.09Å; W237-T280 HydrophobicContact CH2-CG2 3.94Å; W237-T280 HydrophobicContact CZ2-CG2 3.66Å; W237-I295 HydrophobicContact CH2-CG2 4.19Å; W237-K297 HydrophobicContact CD2-CB 4.47Å; W237-K297 HydrophobicContact CD2-CD 4.31Å; W237-K297 HydrophobicContact CE3-CB 3.81Å; W237-K297 HydrophobicContact CE3-CD 4.45Å; W237-K297 HydrophobicContact CH2-CB 3.9Å; W237-K297 HydrophobicContact CZ3-CB 3.49Å; W237-K297 VanDerWaalsContact CZ3-CB 3.49Å
238	S	87.6	Confident	74	Confident	30 Å²	30	65.8 Å²	65.8	21%	0.21	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	134.7	-169.8	60.8	0	0	0	0	111.1	I214 K215	I214-S238 CarbonylContact C-O 3.53Å; I214-S238 WeakPolarHBondContact CA-O 3.35Å; K215-S238 PolarHBondContact N-O 2.75Å; K215-S238 PolarHBondContact O-N 2.61Å; K215-S238 PolarHBondContact O-OG 3.18Å
239	H	90.3	Very high	76.4	Confident	92 Å²	92	58 Å²	58	43%	0.426	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	131.7	171.5	-77.4	-93.2	0	0	0	109.9	I213 R254	I213-H239 WeakPolarHBondContact O-CA 3.36Å; H239-R254 HydrophobicContact CB-CG 4.17Å
240	R	91.9	Very high	78.8	Confident	70 Å²	70	53.9 Å²	53.9	26%	0.264	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	159.3	179.8	-66.4	-65.7	-178.4	-96.5	15.3	109	I213 K215 Y251 M252	I213-R240 HydrophobicContact CD1-CB 4.25Å; I213-R240 HydrophobicContact CG1-CB 4Å; I213-R240 VanDerWaalsContact CG1-O 3.28Å; I213-R240 WeakPolarHBondContact CG1-O 3.47Å; I213-R240 PolarHBondContact N-O 2.88Å; I213-R240 PolarHBondContact O-N 2.96Å; I213-R240 VanDerWaalsContact O-N 3.11Å; K215-R240 HydrophobicContact CB-CB 4.39Å; K215-R240 HydrophobicContact CB-CG 4.03Å; R240-Y251 HydrophobicContact CB-CD2 4.16Å; R240-Y251 HydrophobicContact CG-CD2 3.84Å; R240-Y251 HydrophobicContact CG-CE2 4.23Å; R240-M252 WeakPolarHBondContact CB-O 3.35Å; R240-M252 WeakPolarHBondContact CD-O 3.47Å
241	W	91.8	Very high	81.1	Confident	7 Å²	7	48.4 Å²	48.4	3%	0.027	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	128.9	167.7	-170	-101.2	0	0	0	108.6	E191 V195 E210 P212 Y251 M252 N256	E191-W241 HydrophobicContact CG-CZ3 4.13Å; V195-W241 WeakPolarHBondContact O-CZ2 3.28Å; E210-W241 HydrophobicContact CB-CZ2 4.06Å; E210-W241 PolarHBondContact OE2-NE1 3.44Å; P212-W241 HydrophobicContact CB-CE3 4.34Å; P212-W241 HydrophobicContact CB-CZ3 4.47Å; P212-W241 HydrophobicContact CG-CZ3 4.43Å; W241-Y251 CarbonylContact O-C 3.47Å; W241-Y251 WeakPolarHBondContact O-CA 3.46Å; W241-Y251 WeakPolarHBondContact O-CB 3.17Å; W241-M252 HydrophobicContact CB-CB 4.28Å; W241-M252 PolarHBondContact N-O 2.96Å; W241-M252 PolarHBondContact O-N 2.68Å; W241-N256 WeakPolarHBondContact CB-OD1 3.5Å; W241-N256 VanDerWaalsContact CG-OD1 3.3Å
242	L	92.9	Very high	83.6	Confident	0 Å²	0	40 Å²	40	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	138.6	172.7	-167.7	74.9	0	0	0	108.7	E210 G211 I213 V244 L249 L250 L294 I296 W307 I311	E210-L242 VanDerWaalsContact CA-O 3.3Å; E210-L242 WeakPolarHBondContact CA-O 3.46Å; G211-L242 PolarHBondContact N-O 2.87Å; G211-L242 VanDerWaalsContact N-O 3.09Å; G211-L242 PolarHBondContact O-N 2.85Å; I213-L242 HydrophobicContact CD1-CB 3.92Å; I213-L242 HydrophobicContact CD1-CD1 4Å; I213-L242 HydrophobicContact CD1-CG 4.46Å; I213-L242 HydrophobicContact CG1-CB 4.03Å; I213-L242 HydrophobicContact CG2-CB 3.75Å; I213-L242 HydrophobicContact CG2-CD2 4.35Å; L242-V244 HydrophobicContact CD2-CG2 3.79Å; L242-V244 HydrophobicContact CG-CG2 3.98Å; L242-L249 HydrophobicContact CD1-CD1 4.36Å; L242-L250 WeakPolarHBondContact CD1-O 3.17Å; L242-L294 HydrophobicContact CD1-CD2 4.33Å; L242-I296 HydrophobicContact CD1-CD1 4.34Å; L242-I296 HydrophobicContact CD2-CD1 4.1Å; L242-W307 HydrophobicContact CB-CH2 4.35Å; L242-W307 HydrophobicContact CD2-CE3 4.05Å; L242-W307 HydrophobicContact CD2-CH2 4.14Å; L242-W307 HydrophobicContact CD2-CZ3 3.66Å; L242-I311 HydrophobicContact CD2-CD1 4.4Å
243	V	92.7	Very high	85.5	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	131.9	169	-175.4	0	0	0	0	107.7	L198 E210 K245 L249 L250 M252	L198-V243 HydrophobicContact CD1-CG2 4.49Å; E210-V243 HydrophobicContact CG-CB 4.21Å; E210-V243 HydrophobicContact CG-CG1 3.91Å; E210-V243 HydrophobicContact CG-CG2 4.04Å; V243-K245 HydrophobicContact CG1-CG 4.32Å; V243-L249 CarbonylContact O-C 3.54Å; V243-L249 VanDerWaalsContact O-CA 3.31Å; V243-L249 WeakPolarHBondContact O-CA 3.34Å; V243-L250 HydrophobicContact CB-CD1 3.68Å; V243-L250 HydrophobicContact CB-CG 3.99Å; V243-L250 HydrophobicContact CG2-CD1 3.68Å; V243-L250 PolarHBondContact N-O 3.17Å; V243-L250 PolarHBondContact O-N 2.91Å; V243-M252 HydrophobicContact CG2-CG 4.45Å; V243-M252 HydrophobicContact CG2-SD 4.1Å
244	V	92.2	Very high	86.9	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	118	-179.6	-171	0	0	0	0	107.6	G208 L209 L242 L249 F265 I311 L314	G208-V244 WeakPolarHBondContact CA-O 3.2Å; L209-V244 HydrophobicContact CB-CB 4.21Å; L209-V244 PolarHBondContact N-O 3.32Å; L209-V244 PolarHBondContact O-N 2.59Å; L242-V244 HydrophobicContact CD2-CG2 3.79Å; L242-V244 HydrophobicContact CG-CG2 3.98Å; V244-L249 HydrophobicContact CB-CB 4.44Å; V244-L249 HydrophobicContact CG1-CB 4.31Å; V244-L249 HydrophobicContact CG2-CB 4.13Å; V244-F265 HydrophobicContact CG1-CZ 4.01Å; V244-I311 HydrophobicContact CG1-CG1 4.37Å; V244-I311 HydrophobicContact CG1-CG2 4.39Å; V244-I311 HydrophobicContact CG2-CG1 4.16Å; V244-L314 HydrophobicContact CB-CD1 4.29Å; V244-L314 HydrophobicContact CG1-CD1 4.08Å
245	K	91.4	Very high	88	Confident	1 Å²	1	34.1 Å²	34.1	0%	0.004	16%	0.16	C	C	.	.			trans	-107.4	-170.2	-179.8	-68	-61.5	-164	169.2	0	110	P206 K207 V243 F248 F265	P206-K245 PolarHBondContact O-NZ 2.94Å; K207-K245 WeakPolarHBondContact O-CE 3.42Å; K207-K245 PolarHBondContact O-NZ 2.98Å; V243-K245 HydrophobicContact CG1-CG 4.32Å; K245-F248 HydrophobicContact CB-CD1 4.05Å; K245-F248 HydrophobicContact CB-CE1 3.74Å; K245-F248 HydrophobicContact CB-CE2 4.3Å; K245-F248 HydrophobicContact CB-CZ 3.88Å; K245-F248 HydrophobicContact CG-CE1 3.96Å; K245-F248 HydrophobicContact CG-CE2 4.03Å; K245-F248 HydrophobicContact CG-CZ 3.6Å; K245-F248 PolarHBondContact N-O 3Å; K245-F265 WeakPolarHBondContact O-CE2 3.14Å
246	D	88.2	Confident	88.5	Confident	24 Å²	24	31.2 Å²	31.2	13%	0.128	15%	0.147	C	C	.	.	S	Bend	trans	-60.7	-41.8	179.4	63.4	-22.6	0	0	0	113.8	F265 C318 S607	D246-F265 WeakPolarHBondContact O-CD2 3.29Å; D246-F265 VanDerWaalsContact O-CE2 3.32Å; D246-F265 WeakPolarHBondContact O-CE2 3.32Å; D246-C318 WeakPolarHBondContact O-CB 3.29Å; D246-S607 WeakPolarHBondContact OD2-CA 3.24Å; D246-S607 VanDerWaalsContact OD2-CB 3.24Å; D246-S607 WeakPolarHBondContact OD2-CB 3.34Å; D246-S607 PolarHBondContact OD2-OG 2.82Å
247	S	90.3	Very high	88.5	Confident	3 Å²	3	27.8 Å²	27.8	2%	0.021	12%	0.124	C	C	.	.	S	Bend	trans	-126.9	1.2	-168.7	75.2	0	0	0	0	114.4	F265 R579	S247-F265 PolarHBondContact O-N 2.95Å; S247-R579 PolarHBondContact O-NH1 2.83Å; S247-R579 PolarHBondContact O-NH2 3.25Å; S247-R579 PolarHBondContact OG-NH1 2.97Å; S247-R579 VanDerWaalsContact OG-NH1 3.14Å
248	F	92.6	Very high	88.5	Confident	1 Å²	1	27.6 Å²	27.6	0%	0.004	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	165.3	179.2	69.4	-85.7	0	0	0	112.5	L204 K245 L250 V262 L263 L264 F265 L604 P605	L204-F248 HydrophobicContact CD2-CE1 4.39Å; L204-F248 HydrophobicContact CD2-CZ 4.11Å; K245-F248 HydrophobicContact CB-CD1 4.05Å; K245-F248 HydrophobicContact CB-CE1 3.74Å; K245-F248 HydrophobicContact CB-CE2 4.3Å; K245-F248 HydrophobicContact CB-CZ 3.88Å; K245-F248 HydrophobicContact CG-CE1 3.96Å; K245-F248 HydrophobicContact CG-CE2 4.03Å; K245-F248 HydrophobicContact CG-CZ 3.6Å; K245-F248 PolarHBondContact N-O 3Å; F248-L250 HydrophobicContact CE2-CD2 3.89Å; F248-L250 HydrophobicContact CE2-CG 4.31Å; F248-V262 HydrophobicContact CD2-CG1 4.23Å; F248-L263 WeakPolarHBondContact CA-O 3.18Å; F248-L263 WeakPolarHBondContact CB-O 3.26Å; F248-L264 HydrophobicContact CB-CD2 3.83Å; F248-F265 VanDerWaalsContact C-CE1 3.48Å; F248-L604 HydrophobicContact CD2-CD2 4.41Å; F248-L604 HydrophobicContact CE2-CD1 4.37Å; F248-L604 HydrophobicContact CE2-CD2 3.9Å; F248-L604 HydrophobicContact CZ-CB 4.29Å; F248-L604 HydrophobicContact CZ-CD1 4.27Å; F248-L604 HydrophobicContact CZ-CD2 4.34Å; F248-P605 HydrophobicContact CD1-CG 3.5Å; F248-P605 HydrophobicContact CE1-CG 3.95Å; F248-P605 HydrophobicContact CG-CG 4.23Å
249	L	92.8	Very high	88.6	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	158.2	160.9	67.2	82.6	0	0	0	111	L242 V243 V244 L263 F265 F269 I286 L294	L242-L249 HydrophobicContact CD1-CD1 4.36Å; V243-L249 CarbonylContact O-C 3.54Å; V243-L249 VanDerWaalsContact O-CA 3.31Å; V243-L249 WeakPolarHBondContact O-CA 3.34Å; V244-L249 HydrophobicContact CB-CB 4.44Å; V244-L249 HydrophobicContact CG1-CB 4.31Å; V244-L249 HydrophobicContact CG2-CB 4.13Å; L249-L263 HydrophobicContact CD1-CB 3.81Å; L249-L263 HydrophobicContact CD2-CD2 4.23Å; L249-L263 HydrophobicContact CG-CB 4.12Å; L249-L263 HydrophobicContact CG-CD2 4.06Å; L249-L263 PolarHBondContact N-O 3.14Å; L249-L263 PolarHBondContact O-N 3.49Å; L249-F265 HydrophobicContact CB-CE1 4.24Å; L249-F265 HydrophobicContact CD2-CE1 4.28Å; L249-F265 HydrophobicContact CG-CE1 4.34Å; L249-F269 HydrophobicContact CD2-CE2 4.16Å; L249-I286 HydrophobicContact CD2-CD1 3.84Å; L249-I286 HydrophobicContact CD2-CG2 3.86Å; L249-L294 HydrophobicContact CD1-CD2 3.6Å
250	L	92.9	Very high	88.5	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	164.3	171.1	65.2	74.6	0	0	0	110.7	L198 L242 V243 F248 M252 I259 F261 V262 L604	L198-L250 HydrophobicContact CD1-CD1 4.22Å; L198-L250 HydrophobicContact CD1-CD2 3.86Å; L242-L250 WeakPolarHBondContact CD1-O 3.17Å; V243-L250 HydrophobicContact CB-CD1 3.68Å; V243-L250 HydrophobicContact CB-CG 3.99Å; V243-L250 HydrophobicContact CG2-CD1 3.68Å; V243-L250 PolarHBondContact N-O 3.17Å; V243-L250 PolarHBondContact O-N 2.91Å; F248-L250 HydrophobicContact CE2-CD2 3.89Å; F248-L250 HydrophobicContact CE2-CG 4.31Å; L250-M252 HydrophobicContact CD1-CG 3.46Å; L250-M252 VanDerWaalsContact CD1-CG 3.46Å; L250-M252 HydrophobicContact CD1-SD 4.32Å; L250-I259 HydrophobicContact CB-CG2 4.41Å; L250-I259 HydrophobicContact CD2-CD1 4.18Å; L250-I259 HydrophobicContact CD2-CG1 4.24Å; L250-I259 HydrophobicContact CD2-CG2 4.1Å; L250-F261 WeakPolarHBondContact CA-O 3.18Å; L250-F261 WeakPolarHBondContact CB-O 3.48Å; L250-V262 HydrophobicContact CB-CB 4.46Å; L250-V262 HydrophobicContact CB-CG2 3.97Å; L250-L604 HydrophobicContact CD2-CD1 3.87Å; L250-L604 HydrophobicContact CD2-CD2 3.61Å; L250-L604 HydrophobicContact CD2-CG 4.42Å
251	Y	91.6	Very high	88.3	Confident	26 Å²	26	22.3 Å²	22.3	10%	0.102	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	140.2	161.8	70.5	-107.4	0	0	0	112.3	K215 R240 W241 N260 F261 L294	K215-Y251 HydrophobicContact CD-CE1 4.08Å; K215-Y251 HydrophobicContact CD-CE2 4.37Å; K215-Y251 WeakPolarHBondContact CE-OH 3.32Å; K215-Y251 HydrophobicContact CG-CD1 4.44Å; K215-Y251 HydrophobicContact CG-CE1 4.24Å; K215-Y251 PolarHBondContact NZ-OH 3.1Å; R240-Y251 HydrophobicContact CB-CD2 4.16Å; R240-Y251 HydrophobicContact CG-CD2 3.84Å; R240-Y251 HydrophobicContact CG-CE2 4.23Å; W241-Y251 CarbonylContact O-C 3.47Å; W241-Y251 WeakPolarHBondContact O-CA 3.46Å; W241-Y251 WeakPolarHBondContact O-CB 3.17Å; Y251-N260 HydrophobicContact CD2-CB 3.74Å; Y251-N260 HydrophobicContact CE2-CB 3.45Å; Y251-N260 VanDerWaalsContact CE2-CB 3.45Å; Y251-N260 WeakPolarHBondContact O-CB 3.33Å; Y251-N260 PolarHBondContact O-N 3.09Å; Y251-F261 HydrophobicContact CD1-CB 3.88Å; Y251-F261 AromaticContact CD1-CD1 3.75Å; Y251-F261 HydrophobicContact CD1-CD1 3.75Å; Y251-F261 HydrophobicContact CD1-CG 4.25Å; Y251-F261 HydrophobicContact CD2-CB 4.46Å; Y251-F261 HydrophobicContact CE1-CB 3.39Å; Y251-F261 AromaticContact CE1-CD1 3.48Å; Y251-F261 HydrophobicContact CE1-CD1 3.48Å; Y251-F261 VanDerWaalsContact CE1-CD1 3.48Å; Y251-F261 HydrophobicContact CE1-CE1 4.46Å; Y251-F261 AromaticContact CE1-CG 3.7Å; Y251-F261 HydrophobicContact CE1-CG 3.7Å; Y251-F261 HydrophobicContact CE2-CB 4.04Å; Y251-F261 HydrophobicContact CG-CB 4.37Å; Y251-F261 VanDerWaalsContact CZ-CB 3.45Å; Y251-F261 PolarHBondContact N-O 2.74Å; Y251-F261 PolarHBondContact O-N 3.34Å; Y251-L294 HydrophobicContact CD1-CD1 3.81Å; Y251-L294 HydrophobicContact CD1-CD2 4.22Å; Y251-L294 HydrophobicContact CE1-CD1 3.77Å
252	M	90.6	Very high	88.3	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	170.9	179.7	-46	178.4	81.5	0	0	111.2	L55 L198 R240 W241 V243 L250 N256 E258 I259	L55-M252 HydrophobicContact CD1-CE 3.69Å; L55-M252 HydrophobicContact CD2-CE 4.34Å; L198-M252 HydrophobicContact CD1-CE 3.88Å; L198-M252 HydrophobicContact CD1-SD 3.85Å; L198-M252 HydrophobicContact CG-CE 4.02Å; L198-M252 HydrophobicContact CG-SD 4.2Å; R240-M252 WeakPolarHBondContact CB-O 3.35Å; R240-M252 WeakPolarHBondContact CD-O 3.47Å; W241-M252 HydrophobicContact CB-CB 4.28Å; W241-M252 PolarHBondContact N-O 2.96Å; W241-M252 PolarHBondContact O-N 2.68Å; V243-M252 HydrophobicContact CG2-CG 4.45Å; V243-M252 HydrophobicContact CG2-SD 4.1Å; L250-M252 HydrophobicContact CD1-CG 3.46Å; L250-M252 VanDerWaalsContact CD1-CG 3.46Å; L250-M252 HydrophobicContact CD1-SD 4.32Å; M252-N256 WeakPolarHBondContact CE-O 3.48Å; M252-N256 HydrophobicContact SD-CB 4.43Å; M252-E258 CarbonylContact C-O 3.53Å; M252-E258 WeakPolarHBondContact CA-O 3.35Å; M252-E258 WeakPolarHBondContact CB-O 3.23Å; M252-I259 HydrophobicContact CE-CG1 4.2Å
253	S	87.2	Confident	88.1	Confident	11 Å²	11	22.3 Å²	22.3	8%	0.077	10%	0.104	C	C	.	.			trans	-54.5	170.1	167.5	63.6	0	0	0	0	112.8	D255 N256 S257 E258	S253-D255 WeakPolarHBondContact CB-OD1 3.46Å; S253-D255 PolarHBondContact O-N 3.36Å; S253-D255 PolarHBondContact OG-OD1 3.11Å; S253-N256 PolarHBondContact O-N 3Å; S253-N256 PolarHBondContact OG-N 3.09Å; S253-S257 PolarHBondContact OG-N 3.28Å; S253-S257 VanDerWaalsContact OG-N 3.1Å; S253-S257 PolarHBondContact OG-OG 3.42Å; S253-E258 PolarHBondContact N-O 3.41Å; S253-E258 PolarHBondContact OG-N 2.84Å
254	R	81.4	Confident	88.1	Confident	167 Å²	167	23 Å²	23	63%	0.63	11%	0.108	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-16.2	-177.9	177.2	178.1	173.3	-154.9	-6.2	113.1	R187 H239	R187-R254 PolarHBondContact NH2-O 2.85Å; H239-R254 HydrophobicContact CB-CG 4.17Å
255	D	77.9	Confident	88.1	Confident	49 Å²	49	23.1 Å²	23.1	26%	0.262	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.8	16.5	-172.4	52.8	-7	0	0	0	112.1	K59 S253 S257	K59-D255 HydrophobicContact CD-CB 4.31Å; K59-D255 WeakPolarHBondContact CE-OD2 3.22Å; K59-D255 IonicContact NZ-OD2 2.94Å; K59-D255 PolarHBondContact NZ-OD2 3.28Å; S253-D255 WeakPolarHBondContact CB-OD1 3.46Å; S253-D255 PolarHBondContact O-N 3.36Å; S253-D255 PolarHBondContact OG-OD1 3.11Å; D255-S257 PolarHBondContact O-N 2.81Å; D255-S257 VanDerWaalsContact O-N 3.08Å; D255-S257 PolarHBondContact OD1-OG 2.96Å
256	N	78.1	Confident	88	Confident	12 Å²	12	23.8 Å²	23.8	6%	0.064	11%	0.111	C	C	.	.	S	Bend	trans	59.6	18.1	170.4	-55.2	-2.9	0	0	0	115.7	Y65 W241 M252 S253	Y65-N256 HydrophobicContact CE2-CB 4.45Å; W241-N256 WeakPolarHBondContact CB-OD1 3.5Å; W241-N256 VanDerWaalsContact CG-OD1 3.3Å; M252-N256 WeakPolarHBondContact CE-O 3.48Å; M252-N256 HydrophobicContact SD-CB 4.43Å; S253-N256 PolarHBondContact O-N 3Å; S253-N256 PolarHBondContact OG-N 3.09Å
257	S	79.3	Confident	88	Confident	11 Å²	11	25.1 Å²	25.1	8%	0.077	12%	0.122	C	C	.	.			trans	-92.1	-20.6	-177.8	59	0	0	0	0	115.6	L55 P56 S253 D255	L55-S257 CarbonylContact C-O 3.56Å; L55-S257 WeakPolarHBondContact CB-O 3.41Å; P56-S257 WeakPolarHBondContact CD-O 3.44Å; S253-S257 PolarHBondContact OG-N 3.28Å; S253-S257 VanDerWaalsContact OG-N 3.1Å; S253-S257 PolarHBondContact OG-OG 3.42Å; D255-S257 PolarHBondContact O-N 2.81Å; D255-S257 VanDerWaalsContact O-N 3.08Å; D255-S257 PolarHBondContact OD1-OG 2.96Å
258	E	84.9	Confident	87.8	Confident	76 Å²	76	28.5 Å²	28.5	36%	0.355	14%	0.137	S	C	.	.			trans	-136.6	125	-175.2	-63.1	-173.2	158.1	0	0	112.4	M252 S253 N260 N598	M252-E258 CarbonylContact C-O 3.53Å; M252-E258 WeakPolarHBondContact CA-O 3.35Å; M252-E258 WeakPolarHBondContact CB-O 3.23Å; S253-E258 PolarHBondContact N-O 3.41Å; S253-E258 PolarHBondContact OG-N 2.84Å; E258-N260 PolarHBondContact O-N 3.25Å; E258-N260 PolarHBondContact O-ND2 2.92Å; E258-N598 PolarHBondContact OE1-ND2 3.29Å; E258-N598 PolarHBondContact OE2-ND2 3.27Å
259	I	89.9	Confident	87.6	Confident	25 Å²	25	29.7 Å²	29.7	13%	0.128	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	115.3	168.9	-61	166.8	0	0	0	108.3	L55 L198 L250 M252 V262 Y602 L604	L55-I259 HydrophobicContact CD1-CD1 3.92Å; L55-I259 HydrophobicContact CD1-CG1 3.9Å; L198-I259 HydrophobicContact CD1-CD1 4.37Å; L250-I259 HydrophobicContact CB-CG2 4.41Å; L250-I259 HydrophobicContact CD2-CD1 4.18Å; L250-I259 HydrophobicContact CD2-CG1 4.24Å; L250-I259 HydrophobicContact CD2-CG2 4.1Å; M252-I259 HydrophobicContact CE-CG1 4.2Å; I259-V262 HydrophobicContact CG2-CG2 3.74Å; I259-Y602 HydrophobicContact CG2-CD2 4.37Å; I259-Y602 HydrophobicContact CG2-CG 4.4Å; I259-Y602 WeakPolarHBondContact O-CD2 3.37Å; I259-L604 HydrophobicContact CD1-CD1 3.99Å; I259-L604 HydrophobicContact CD1-CG 4.42Å
260	N	87.5	Confident	87.4	Confident	44 Å²	44	34.1 Å²	34.1	24%	0.235	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	-19.5	-172.5	-89	-126	0	0	0	113.4	Y251 E258 Y602	Y251-N260 HydrophobicContact CD2-CB 3.74Å; Y251-N260 HydrophobicContact CE2-CB 3.45Å; Y251-N260 VanDerWaalsContact CE2-CB 3.45Å; Y251-N260 WeakPolarHBondContact O-CB 3.33Å; Y251-N260 PolarHBondContact O-N 3.09Å; E258-N260 PolarHBondContact O-N 3.25Å; E258-N260 PolarHBondContact O-ND2 2.92Å; N260-Y602 WeakPolarHBondContact O-CE2 3.45Å; N260-Y602 PolarHBondContact O-OH 2.78Å; N260-Y602 VanDerWaalsContact O-OH 3.12Å
261	F	87.8	Confident	87.3	Confident	11 Å²	11	34.8 Å²	34.8	5%	0.048	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.7	142.8	-178	175.1	-109.3	0	0	0	110.2	L250 Y251 L263 L294 I590	L250-F261 WeakPolarHBondContact CA-O 3.18Å; L250-F261 WeakPolarHBondContact CB-O 3.48Å; Y251-F261 HydrophobicContact CD1-CB 3.88Å; Y251-F261 AromaticContact CD1-CD1 3.75Å; Y251-F261 HydrophobicContact CD1-CD1 3.75Å; Y251-F261 HydrophobicContact CD1-CG 4.25Å; Y251-F261 HydrophobicContact CD2-CB 4.46Å; Y251-F261 HydrophobicContact CE1-CB 3.39Å; Y251-F261 AromaticContact CE1-CD1 3.48Å; Y251-F261 HydrophobicContact CE1-CD1 3.48Å; Y251-F261 VanDerWaalsContact CE1-CD1 3.48Å; Y251-F261 HydrophobicContact CE1-CE1 4.46Å; Y251-F261 AromaticContact CE1-CG 3.7Å; Y251-F261 HydrophobicContact CE1-CG 3.7Å; Y251-F261 HydrophobicContact CE2-CB 4.04Å; Y251-F261 HydrophobicContact CG-CB 4.37Å; Y251-F261 VanDerWaalsContact CZ-CB 3.45Å; Y251-F261 PolarHBondContact N-O 2.74Å; Y251-F261 PolarHBondContact O-N 3.34Å; F261-L263 HydrophobicContact CE1-CB 3.71Å; F261-L263 HydrophobicContact CE1-CD1 4.19Å; F261-L263 HydrophobicContact CZ-CB 3.98Å; F261-L263 HydrophobicContact CZ-CD1 4.26Å; F261-L294 HydrophobicContact CE1-CD2 4.34Å; F261-I590 HydrophobicContact CD2-CD1 4.03Å; F261-I590 HydrophobicContact CE2-CD1 3.78Å
262	V	91	Very high	87.1	Confident	5 Å²	5	36.2 Å²	36.2	3%	0.03	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	138.9	174.3	-177.9	0	0	0	0	108.4	F248 L250 I259 L264 Y602 L604	F248-V262 HydrophobicContact CD2-CG1 4.23Å; L250-V262 HydrophobicContact CB-CB 4.46Å; L250-V262 HydrophobicContact CB-CG2 3.97Å; I259-V262 HydrophobicContact CG2-CG2 3.74Å; V262-L264 HydrophobicContact CG1-CD2 4.22Å; V262-Y602 HydrophobicContact CB-CD1 4.37Å; V262-Y602 HydrophobicContact CG2-CD1 4.14Å; V262-Y602 HydrophobicContact CG2-CG 4.11Å; V262-L604 HydrophobicContact CB-CD2 4.45Å; V262-L604 HydrophobicContact CG1-CD2 4.01Å; V262-L604 HydrophobicContact CG2-CD2 3.52Å
263	L	90.7	Very high	86.9	Confident	3 Å²	3	38.2 Å²	38.2	2%	0.016	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	115.5	175	178.6	156.6	0	0	0	107.7	F248 L249 F261 F265 F269 N288	F248-L263 WeakPolarHBondContact CA-O 3.18Å; F248-L263 WeakPolarHBondContact CB-O 3.26Å; L249-L263 HydrophobicContact CD1-CB 3.81Å; L249-L263 HydrophobicContact CD2-CD2 4.23Å; L249-L263 HydrophobicContact CG-CB 4.12Å; L249-L263 HydrophobicContact CG-CD2 4.06Å; L249-L263 PolarHBondContact N-O 3.14Å; L249-L263 PolarHBondContact O-N 3.49Å; F261-L263 HydrophobicContact CE1-CB 3.71Å; F261-L263 HydrophobicContact CE1-CD1 4.19Å; F261-L263 HydrophobicContact CZ-CB 3.98Å; F261-L263 HydrophobicContact CZ-CD1 4.26Å; L263-F265 HydrophobicContact CD2-CD1 4.46Å; L263-F269 HydrophobicContact CD2-CD2 3.83Å; L263-F269 HydrophobicContact CD2-CE2 3.8Å; L263-N288 HydrophobicContact CD1-CB 4.23Å; L263-N288 HydrophobicContact CD2-CB 4.04Å; L263-N288 HydrophobicContact CG-CB 4.09Å
264	L	91.7	Very high	86.5	Confident	15 Å²	15	38.3 Å²	38.3	8%	0.079	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	144.2	175.2	-56.1	-177.7	0	0	0	109.4	F248 V262 N288 R579 I582 Q583 P605	F248-L264 HydrophobicContact CB-CD2 3.83Å; V262-L264 HydrophobicContact CG1-CD2 4.22Å; L264-N288 PolarHBondContact O-ND2 3.32Å; L264-N288 VanDerWaalsContact O-ND2 3.09Å; L264-R579 HydrophobicContact CD1-CG 4.27Å; L264-I582 HydrophobicContact CD1-CG2 4.4Å; L264-I582 HydrophobicContact CD2-CG2 4.43Å; L264-Q583 HydrophobicContact CD1-CB 3.84Å; L264-Q583 HydrophobicContact CD1-CG 4.4Å; L264-P605 HydrophobicContact CD2-CG 4.02Å
265	F	91.6	Very high	86.3	Confident	2 Å²	2	34.1 Å²	34.1	1%	0.009	19%	0.185	C	C	.	.			trans	-70.8	134.1	170.1	-57.8	-17.4	0	0	0	109.6	V244 K245 D246 S247 F248 L249 L263 F269 A315 C318 F320 L321 R579	V244-F265 HydrophobicContact CG1-CZ 4.01Å; K245-F265 WeakPolarHBondContact O-CE2 3.14Å; D246-F265 WeakPolarHBondContact O-CD2 3.29Å; D246-F265 VanDerWaalsContact O-CE2 3.32Å; D246-F265 WeakPolarHBondContact O-CE2 3.32Å; S247-F265 PolarHBondContact O-N 2.95Å; F248-F265 VanDerWaalsContact C-CE1 3.48Å; L249-F265 HydrophobicContact CB-CE1 4.24Å; L249-F265 HydrophobicContact CD2-CE1 4.28Å; L249-F265 HydrophobicContact CG-CE1 4.34Å; L263-F265 HydrophobicContact CD2-CD1 4.46Å; F265-F269 AromaticContact CD1-CD2 3.77Å; F265-F269 HydrophobicContact CD1-CD2 3.77Å; F265-F269 HydrophobicContact CD1-CE1 4.39Å; F265-F269 AromaticContact CD1-CE2 3.53Å; F265-F269 HydrophobicContact CD1-CE2 3.53Å; F265-F269 HydrophobicContact CD1-CG 4.29Å; F265-F269 AromaticContact CD1-CZ 3.86Å; F265-F269 HydrophobicContact CD1-CZ 3.86Å; F265-F269 HydrophobicContact CE1-CD2 4.37Å; F265-F269 HydrophobicContact CE1-CE1 4.46Å; F265-F269 AromaticContact CE1-CE2 3.66Å; F265-F269 HydrophobicContact CE1-CE2 3.66Å; F265-F269 AromaticContact CE1-CZ 3.71Å; F265-F269 HydrophobicContact CE1-CZ 3.71Å; F265-F269 HydrophobicContact CZ-CZ 4.45Å; F265-A315 HydrophobicContact CD2-CB 3.91Å; F265-A315 HydrophobicContact CE2-CB 3.74Å; F265-A315 HydrophobicContact CZ-CB 4.24Å; F265-C318 HydrophobicContact CD2-CB 4.07Å; F265-F320 WeakPolarHBondContact O-CB 3.45Å; F265-L321 HydrophobicContact CB-CD2 3.98Å; F265-R579 PolarHBondContact O-NH2 2.78Å
266	D	89.2	Confident	86.2	Confident	14 Å²	14	36.6 Å²	36.6	8%	0.075	21%	0.213	C	C	.	.			trans	-146.1	172.6	-179.9	62.3	44.3	0	0	0	109.8	E268 F269 N288 F289 F320	D266-E268 VanDerWaalsContact C-N 3.26Å; D266-E268 PolarHBondContact O-N 2.64Å; D266-E268 WeakPolarHBondContact OD1-CA 3.45Å; D266-E268 PolarHBondContact OD1-N 3.04Å; D266-F269 WeakPolarHBondContact O-CB 3.48Å; D266-F269 PolarHBondContact O-N 2.69Å; D266-F269 PolarHBondContact OD1-N 3.35Å; D266-N288 VanDerWaalsContact OD2-CB 3.26Å; D266-N288 WeakPolarHBondContact OD2-CB 3.5Å; D266-N288 PolarHBondContact OD2-ND2 3.47Å; D266-F289 HydrophobicContact CB-CD2 3.6Å; D266-F289 HydrophobicContact CB-CE2 3.98Å; D266-F289 PolarHBondContact OD1-N 2.92Å; D266-F289 PolarHBondContact OD2-N 2.66Å; D266-F320 CarbonylContact C-O 3.54Å; D266-F320 VanDerWaalsContact C-O 3.31Å; D266-F320 WeakPolarHBondContact CA-O 3.35Å
267	P	87.9	Confident	86	Confident	53 Å²	53	39.3 Å²	39.3	34%	0.344	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-9.7	-179.6	-25	37.4	0	0	0	116.5	F269 F320 V323	P267-F269 VanDerWaalsContact C-N 3.32Å; P267-F320 VanDerWaalsContact CD-O 3.26Å; P267-F320 WeakPolarHBondContact CD-O 3.25Å; P267-V323 HydrophobicContact CB-CG2 3.91Å; P267-V323 HydrophobicContact CG-CG2 3.82Å
268	E	86.3	Confident	85.9	Confident	74 Å²	74	38.9 Å²	38.9	35%	0.346	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	10.2	166.3	-93	-170.5	-154.5	0	0	111.4	D266 E270 N288 F289 R291	D266-E268 VanDerWaalsContact C-N 3.26Å; D266-E268 PolarHBondContact O-N 2.64Å; D266-E268 WeakPolarHBondContact OD1-CA 3.45Å; D266-E268 PolarHBondContact OD1-N 3.04Å; E268-E270 PolarHBondContact O-N 2.88Å; E268-N288 WeakPolarHBondContact O-CA 3.36Å; E268-F289 HydrophobicContact CB-CD1 3.64Å; E268-F289 HydrophobicContact CB-CE1 3.96Å; E268-F289 HydrophobicContact CB-CG 4.06Å; E268-F289 HydrophobicContact CG-CD1 3.56Å; E268-F289 HydrophobicContact CG-CE1 3.6Å; E268-F289 HydrophobicContact CG-CG 4.46Å; E268-R291 IonicContact OE1-NH2 2.78Å; E268-R291 IonicContact OE2-NE 3.17Å
269	F	89.8	Confident	85.4	Confident	26 Å²	26	38.3 Å²	38.3	11%	0.114	24%	0.236	C	C	.	.			trans	-69.7	116.5	179	-178.4	-99.8	0	0	0	112.5	L249 L263 F265 D266 P267 V271 I286 K287 I311 A315 L321	L249-F269 HydrophobicContact CD2-CE2 4.16Å; L263-F269 HydrophobicContact CD2-CD2 3.83Å; L263-F269 HydrophobicContact CD2-CE2 3.8Å; F265-F269 AromaticContact CD1-CD2 3.77Å; F265-F269 HydrophobicContact CD1-CD2 3.77Å; F265-F269 HydrophobicContact CD1-CE1 4.39Å; F265-F269 AromaticContact CD1-CE2 3.53Å; F265-F269 HydrophobicContact CD1-CE2 3.53Å; F265-F269 HydrophobicContact CD1-CG 4.29Å; F265-F269 AromaticContact CD1-CZ 3.86Å; F265-F269 HydrophobicContact CD1-CZ 3.86Å; F265-F269 HydrophobicContact CE1-CD2 4.37Å; F265-F269 HydrophobicContact CE1-CE1 4.46Å; F265-F269 AromaticContact CE1-CE2 3.66Å; F265-F269 HydrophobicContact CE1-CE2 3.66Å; F265-F269 AromaticContact CE1-CZ 3.71Å; F265-F269 HydrophobicContact CE1-CZ 3.71Å; F265-F269 HydrophobicContact CZ-CZ 4.45Å; D266-F269 WeakPolarHBondContact O-CB 3.48Å; D266-F269 PolarHBondContact O-N 2.69Å; D266-F269 PolarHBondContact OD1-N 3.35Å; P267-F269 VanDerWaalsContact C-N 3.32Å; F269-V271 HydrophobicContact CE1-CG2 3.77Å; F269-V271 HydrophobicContact CZ-CG2 3.7Å; F269-I286 HydrophobicContact CD2-CG2 4.27Å; F269-I286 HydrophobicContact CE2-CG2 3.5Å; F269-I286 HydrophobicContact CZ-CG2 4Å; F269-K287 WeakPolarHBondContact CA-O 3.48Å; F269-K287 WeakPolarHBondContact CD2-O 3.08Å; F269-I311 HydrophobicContact CE1-CG2 4.27Å; F269-I311 HydrophobicContact CZ-CG2 3.78Å; F269-A315 HydrophobicContact CD1-CB 4.39Å; F269-A315 HydrophobicContact CE1-CB 3.86Å; F269-L321 HydrophobicContact CB-CD2 3.65Å; F269-L321 HydrophobicContact CD1-CD2 3.7Å; F269-L321 HydrophobicContact CG-CD2 3.95Å
270	E	88.8	Confident	84.8	Confident	93 Å²	93	38.3 Å²	38.3	44%	0.435	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	139.3	-178.3	-162	-172.8	178.4	0	0	111.9	E268 K272 I286 K287	E268-E270 PolarHBondContact O-N 2.88Å; E270-K272 HydrophobicContact CG-CG 4Å; E270-K272 WeakPolarHBondContact OE1-CE 3.37Å; E270-K272 WeakPolarHBondContact OE1-CG 3.32Å; E270-K272 WeakPolarHBondContact OE2-CE 3.17Å; E270-K272 IonicContact OE2-NZ 3.25Å; E270-I286 WeakPolarHBondContact O-CA 3.44Å; E270-K287 PolarHBondContact N-O 3.13Å; E270-K287 PolarHBondContact O-N 2.65Å
271	V	90.1	Very high	84.3	Confident	13 Å²	13	42.5 Å²	42.5	8%	0.079	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	94.2	177.6	-172.3	0	0	0	0	110.4	F269 V284 C285 I286 T308 I311 N312	F269-V271 HydrophobicContact CE1-CG2 3.77Å; F269-V271 HydrophobicContact CZ-CG2 3.7Å; V271-V284 HydrophobicContact CG1-CG1 3.6Å; V271-C285 CarbonylContact C-O 3.57Å; V271-C285 WeakPolarHBondContact CA-O 3.35Å; V271-I286 HydrophobicContact CG1-CG1 4.14Å; V271-I286 HydrophobicContact CG2-CG1 4.32Å; V271-I286 HydrophobicContact CG2-CG2 4.12Å; V271-T308 HydrophobicContact CB-CG2 4.26Å; V271-T308 HydrophobicContact CG1-CG2 3.9Å; V271-T308 WeakPolarHBondContact CG1-OG1 3.22Å; V271-T308 WeakPolarHBondContact O-CG2 3.36Å; V271-I311 HydrophobicContact CG2-CG2 3.77Å; V271-N312 WeakPolarHBondContact CB-OD1 3.39Å; V271-N312 VanDerWaalsContact CG2-OD1 3.27Å; V271-N312 WeakPolarHBondContact CG2-OD1 3.48Å
272	K	87.8	Confident	84.1	Confident	56 Å²	56	45.6 Å²	45.6	24%	0.243	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	156.3	-179.4	-62.7	-167.9	-176.8	-179.1	0	112.9	E270 E277 V284 C285	E270-K272 HydrophobicContact CG-CG 4Å; E270-K272 WeakPolarHBondContact OE1-CE 3.37Å; E270-K272 WeakPolarHBondContact OE1-CG 3.32Å; E270-K272 WeakPolarHBondContact OE2-CE 3.17Å; E270-K272 IonicContact OE2-NZ 3.25Å; K272-E277 HydrophobicContact CB-CB 4.2Å; K272-E277 HydrophobicContact CB-CG 4.06Å; K272-E277 HydrophobicContact CD-CB 4.3Å; K272-E277 HydrophobicContact CD-CG 3.52Å; K272-E277 WeakPolarHBondContact CD-OE1 3.23Å; K272-E277 VanDerWaalsContact CD-OE2 3.3Å; K272-E277 WeakPolarHBondContact CD-OE2 3.49Å; K272-E277 HydrophobicContact CG-CG 4.47Å; K272-E277 IonicContact NZ-OE1 3.57Å; K272-E277 PolarHBondContact NZ-OE1 3.31Å; K272-E277 IonicContact NZ-OE2 3.7Å; K272-E277 PolarHBondContact NZ-OE2 3.25Å; K272-V284 CarbonylContact O-C 3.52Å; K272-V284 WeakPolarHBondContact O-CA 3.37Å; K272-C285 PolarHBondContact N-O 2.68Å; K272-C285 PolarHBondContact O-N 3.01Å
273	V	86.8	Confident	83.9	Confident	42 Å²	42	45.4 Å²	45.4	26%	0.255	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	142.8	-179.4	-179.5	0	0	0	0	111.4	G283 T308	V273-G283 WeakPolarHBondContact CA-O 3.04Å; V273-T308 HydrophobicContact CG2-CG2 4.12Å; V273-T308 WeakPolarHBondContact CG2-OG1 3.33Å
274	G	79	Confident	83.9	Confident	14 Å²	14	45.3 Å²	45.3	14%	0.144	27%	0.265	C	S	.	.	S	Bend	trans	108.2	179.8	164.5	0	0	0	0	0	115.6	T278 T280 G283	G274-T278 WeakPolarHBondContact O-CB 3.24Å; G274-T278 WeakPolarHBondContact O-CG2 3.49Å; G274-T278 PolarHBondContact O-N 3.47Å; G274-T278 PolarHBondContact O-OG1 2.89Å; G274-T280 CarbonylContact C-O 3.57Å; G274-G283 PolarHBondContact N-O 3.27Å
275	S	76.3	Confident	83.7	Confident	78 Å²	78	44.6 Å²	44.6	55%	0.545	26%	0.262	S	S	.	.	H	α-helix	trans	-66.7	-40.1	-168.3	49.4	0	0	0	0	114.2	E277 T278 G279 T280	S275-E277 VanDerWaalsContact C-N 3.29Å; S275-E277 PolarHBondContact O-N 3.41Å; S275-T278 PolarHBondContact O-N 3.12Å; S275-G279 WeakPolarHBondContact O-CA 3.38Å; S275-G279 PolarHBondContact O-N 2.81Å; S275-T280 WeakPolarHBondContact CA-O 2.89Å; S275-T280 PolarHBondContact N-O 3.44Å
276	A	76.1	Confident	83.6	Confident	102 Å²	102	44.5 Å²	44.5	84%	0.843	26%	0.261	S	S	*	.	H	α-helix	trans	-57.7	-40.2	-178.3	0	0	0	0	0	112.9
277	E	74.6	Confident	83.4	Confident	68 Å²	68	46 Å²	46	32%	0.318	27%	0.267	S	S	.	.	H	α-helix	trans	-92.8	-19.3	-175	-66.6	-74.5	171.5	0	0	113.4	K272 S275	K272-E277 HydrophobicContact CB-CB 4.2Å; K272-E277 HydrophobicContact CB-CG 4.06Å; K272-E277 HydrophobicContact CD-CB 4.3Å; K272-E277 HydrophobicContact CD-CG 3.52Å; K272-E277 WeakPolarHBondContact CD-OE1 3.23Å; K272-E277 VanDerWaalsContact CD-OE2 3.3Å; K272-E277 WeakPolarHBondContact CD-OE2 3.49Å; K272-E277 HydrophobicContact CG-CG 4.47Å; K272-E277 IonicContact NZ-OE1 3.57Å; K272-E277 PolarHBondContact NZ-OE1 3.31Å; K272-E277 IonicContact NZ-OE2 3.7Å; K272-E277 PolarHBondContact NZ-OE2 3.25Å; S275-E277 VanDerWaalsContact C-N 3.29Å; S275-E277 PolarHBondContact O-N 3.41Å
278	T	75.8	Confident	83.2	Confident	3 Å²	3	43.9 Å²	43.9	2%	0.018	25%	0.253	C	S	.	.	H	α-helix	trans	-120.3	-19.5	-169.4	68.8	0	0	0	0	114.8	R216 G274 S275 T280 C285 I295	R216-T278 PolarHBondContact NH1-O 3.34Å; G274-T278 WeakPolarHBondContact O-CB 3.24Å; G274-T278 WeakPolarHBondContact O-CG2 3.49Å; G274-T278 PolarHBondContact O-N 3.47Å; G274-T278 PolarHBondContact O-OG1 2.89Å; S275-T278 PolarHBondContact O-N 3.12Å; T278-T280 WeakPolarHBondContact CB-OG1 3.42Å; T278-T280 PolarHBondContact OG1-N 3.02Å; T278-T280 PolarHBondContact OG1-O 3.42Å; T278-T280 PolarHBondContact OG1-OG1 2.73Å; T278-C285 HydrophobicContact CG2-CB 3.79Å; T278-I295 HydrophobicContact CG2-CD1 4.23Å; T278-I295 HydrophobicContact CG2-CG2 4.21Å
279	G	75.1	Confident	82.6	Confident	63 Å²	63	42.5 Å²	42.5	65%	0.649	25%	0.246	S	C	*	.	S	Bend	trans	71.4	12.6	-164.7	0	0	0	0	0	113.9	S275	S275-G279 WeakPolarHBondContact O-CA 3.38Å; S275-G279 PolarHBondContact O-N 2.81Å
280	T	77.4	Confident	81.4	Confident	25 Å²	25	42.6 Å²	42.6	15%	0.153	25%	0.249	C	C	.	.	S	Bend	trans	-140	135.3	-178.5	43.5	0	0	0	0	112.7	W237 G274 S275 T278 Y282 G283	W237-T280 HydrophobicContact CH2-CG2 3.94Å; W237-T280 HydrophobicContact CZ2-CG2 3.66Å; G274-T280 CarbonylContact C-O 3.57Å; S275-T280 WeakPolarHBondContact CA-O 2.89Å; S275-T280 PolarHBondContact N-O 3.44Å; T278-T280 WeakPolarHBondContact CB-OG1 3.42Å; T278-T280 PolarHBondContact OG1-N 3.02Å; T278-T280 PolarHBondContact OG1-O 3.42Å; T278-T280 PolarHBondContact OG1-OG1 2.73Å; T280-Y282 VanDerWaalsContact C-N 3.3Å; T280-Y282 PolarHBondContact O-N 3.32Å; T280-Y282 VanDerWaalsContact O-N 3.17Å; T280-G283 PolarHBondContact O-N 3.08Å; T280-G283 VanDerWaalsContact OG1-CA 3.29Å; T280-G283 WeakPolarHBondContact OG1-CA 3.32Å
281	E	77.3	Confident	80	Confident	133 Å²	133	45.4 Å²	45.4	62%	0.621	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.5	-44.8	-175.8	-163.4	-168.6	162.4	0	0	114
282	Y	84.1	Confident	78.8	Confident	76 Å²	76	49.5 Å²	49.5	30%	0.298	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118	41.1	176.5	-43.8	-46.2	0	0	0	111.8	T280 C298 Y301	T280-Y282 VanDerWaalsContact C-N 3.3Å; T280-Y282 PolarHBondContact O-N 3.32Å; T280-Y282 VanDerWaalsContact O-N 3.17Å; Y282-C298 VanDerWaalsContact O-CB 3.23Å; Y282-C298 WeakPolarHBondContact O-CB 3.46Å; Y282-C298 PolarHBondContact O-N 2.81Å; Y282-Y301 VanDerWaalsContact CD1-N 3.34Å
283	G	86.3	Confident	78.3	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	150.8	170.7	0	0	0	0	0	112.2	V273 G274 T280 I296	V273-G283 WeakPolarHBondContact CA-O 3.04Å; G274-G283 PolarHBondContact N-O 3.27Å; T280-G283 PolarHBondContact O-N 3.08Å; T280-G283 VanDerWaalsContact OG1-CA 3.29Å; T280-G283 WeakPolarHBondContact OG1-CA 3.32Å; G283-I296 CarbonylContact C-O 3.56Å; G283-I296 WeakPolarHBondContact CA-O 3.23Å
284	V	89.6	Confident	78.3	Confident	1 Å²	1	48 Å²	48	1%	0.006	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	134.7	160.1	-178.7	0	0	0	0	107	V271 K272 I286 I295 I296 W307	V271-V284 HydrophobicContact CG1-CG1 3.6Å; K272-V284 CarbonylContact O-C 3.52Å; K272-V284 WeakPolarHBondContact O-CA 3.37Å; V284-I286 HydrophobicContact CG1-CG1 4.22Å; V284-I295 WeakPolarHBondContact O-CA 3.37Å; V284-I296 PolarHBondContact N-O 2.82Å; V284-I296 PolarHBondContact O-N 3.33Å; V284-W307 HydrophobicContact CG2-CB 4.42Å
285	C	88.9	Confident	78.7	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	127.5	173.2	-170.4	0	0	0	0	108.6	V271 K272 T278 I295	V271-C285 CarbonylContact C-O 3.57Å; V271-C285 WeakPolarHBondContact CA-O 3.35Å; K272-C285 PolarHBondContact N-O 2.68Å; K272-C285 PolarHBondContact O-N 3.01Å; T278-C285 HydrophobicContact CG2-CB 3.79Å; C285-I295 HydrophobicContact CB-CD1 3.86Å; C285-I295 HydrophobicContact CB-CG1 4.27Å; C285-I295 WeakPolarHBondContact SG-CD1 3.29Å
286	I	89.4	Confident	79.4	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	130.3	176.3	-48.4	165.7	0	0	0	108.5	L249 F269 E270 V271 V284 L294 I296 I311	L249-I286 HydrophobicContact CD2-CD1 3.84Å; L249-I286 HydrophobicContact CD2-CG2 3.86Å; F269-I286 HydrophobicContact CD2-CG2 4.27Å; F269-I286 HydrophobicContact CE2-CG2 3.5Å; F269-I286 HydrophobicContact CZ-CG2 4Å; E270-I286 WeakPolarHBondContact O-CA 3.44Å; V271-I286 HydrophobicContact CG1-CG1 4.14Å; V271-I286 HydrophobicContact CG2-CG1 4.32Å; V271-I286 HydrophobicContact CG2-CG2 4.12Å; V284-I286 HydrophobicContact CG1-CG1 4.22Å; I286-L294 HydrophobicContact CB-CB 4.3Å; I286-L294 HydrophobicContact CD1-CD2 4.31Å; I286-L294 PolarHBondContact N-O 3.05Å; I286-L294 PolarHBondContact O-N 3.3Å; I286-I296 HydrophobicContact CD1-CD1 4.07Å; I286-I311 HydrophobicContact CD1-CD1 3.93Å
287	K	84.9	Confident	79.9	Confident	46 Å²	46	43.7 Å²	43.7	20%	0.2	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	163.8	-176.1	-52.2	-170.1	-170.1	-120.2	0	110.8	F269 E270 D293	F269-K287 WeakPolarHBondContact CA-O 3.48Å; F269-K287 WeakPolarHBondContact CD2-O 3.08Å; E270-K287 PolarHBondContact N-O 3.13Å; E270-K287 PolarHBondContact O-N 2.65Å; K287-D293 WeakPolarHBondContact CD-OD1 3.33Å; K287-D293 WeakPolarHBondContact CE-OD1 3.34Å; K287-D293 IonicContact NZ-OD1 3.54Å; K287-D293 PolarHBondContact NZ-OD1 2.73Å; K287-D293 IonicContact NZ-OD2 2.68Å; K287-D293 PolarHBondContact NZ-OD2 2.84Å
288	N	82.5	Confident	80.5	Confident	8 Å²	8	40.8 Å²	40.8	4%	0.043	20%	0.198	C	C	.	.			trans	-163	179.1	173.1	96.4	-39	0	0	0	108.5	L263 L264 D266 E268 T290 R291	L263-N288 HydrophobicContact CD1-CB 4.23Å; L263-N288 HydrophobicContact CD2-CB 4.04Å; L263-N288 HydrophobicContact CG-CB 4.09Å; L264-N288 PolarHBondContact O-ND2 3.32Å; L264-N288 VanDerWaalsContact O-ND2 3.09Å; D266-N288 VanDerWaalsContact OD2-CB 3.26Å; D266-N288 WeakPolarHBondContact OD2-CB 3.5Å; D266-N288 PolarHBondContact OD2-ND2 3.47Å; E268-N288 WeakPolarHBondContact O-CA 3.36Å; N288-T290 PolarHBondContact O-N 3.49Å; N288-T290 WeakPolarHBondContact OD1-CB 3.37Å; N288-T290 PolarHBondContact OD1-N 2.97Å; N288-T290 PolarHBondContact OD1-OG1 2.85Å; N288-R291 PolarHBondContact O-N 2.87Å
289	F	73.6	Confident	80.9	Confident	45 Å²	45	50.3 Å²	50.3	20%	0.197	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49	-30.8	-178.5	-80.7	-50.9	0	0	0	115.3	D266 E268 R291	D266-F289 HydrophobicContact CB-CD2 3.6Å; D266-F289 HydrophobicContact CB-CE2 3.98Å; D266-F289 PolarHBondContact OD1-N 2.92Å; D266-F289 PolarHBondContact OD2-N 2.66Å; E268-F289 HydrophobicContact CB-CD1 3.64Å; E268-F289 HydrophobicContact CB-CE1 3.96Å; E268-F289 HydrophobicContact CB-CG 4.06Å; E268-F289 HydrophobicContact CG-CD1 3.56Å; E268-F289 HydrophobicContact CG-CE1 3.6Å; E268-F289 HydrophobicContact CG-CG 4.46Å; F289-R291 PolarHBondContact O-N 3.38Å; F289-R291 VanDerWaalsContact O-N 3.11Å
290	T	65.2	Low	81.2	Confident	29 Å²	29	48.9 Å²	48.9	18%	0.178	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-4.3	-179.6	73.6	0	0	0	0	114.1	N288 R292	N288-T290 PolarHBondContact O-N 3.49Å; N288-T290 WeakPolarHBondContact OD1-CB 3.37Å; N288-T290 PolarHBondContact OD1-N 2.97Å; N288-T290 PolarHBondContact OD1-OG1 2.85Å; T290-R292 PolarHBondContact O-N 2.74Å; T290-R292 VanDerWaalsContact O-N 3.11Å
291	R	59.4	Low	81.4	Confident	152 Å²	152	54.4 Å²	54.4	57%	0.574	23%	0.233	S	C	*	.			trans	55	28	175.9	-67.3	175.2	178.3	-156.8	-6.1	114.5	E268 N288 F289	E268-R291 IonicContact OE1-NH2 2.78Å; E268-R291 IonicContact OE2-NE 3.17Å; N288-R291 PolarHBondContact O-N 2.87Å; F289-R291 PolarHBondContact O-N 3.38Å; F289-R291 VanDerWaalsContact O-N 3.11Å
292	R	65.8	Low	81.4	Confident	98 Å²	98	54.4 Å²	54.4	37%	0.37	23%	0.227	S	C	.	.			trans	-99.4	86	172.8	-74.2	-161	172.7	-173.4	9.1	112.1	T290 L294 I590	T290-R292 PolarHBondContact O-N 2.74Å; T290-R292 VanDerWaalsContact O-N 3.11Å; R292-L294 PolarHBondContact O-N 2.89Å; R292-I590 PolarHBondContact NH2-O 3.4Å
293	D	76.6	Confident	81.3	Confident	62 Å²	62	53.5 Å²	53.5	33%	0.332	23%	0.226	S	C	.	.			trans	-44.6	100.2	170.6	-77.4	21.9	0	0	0	113.2	K287 I295	K287-D293 WeakPolarHBondContact CD-OD1 3.33Å; K287-D293 WeakPolarHBondContact CE-OD1 3.34Å; K287-D293 IonicContact NZ-OD1 3.54Å; K287-D293 PolarHBondContact NZ-OD1 2.73Å; K287-D293 IonicContact NZ-OD2 2.68Å; K287-D293 PolarHBondContact NZ-OD2 2.84Å; D293-I295 HydrophobicContact CB-CD1 4.32Å; D293-I295 HydrophobicContact CB-CG1 3.99Å; D293-I295 PolarHBondContact O-N 2.91Å
294	L	85.7	Confident	81.3	Confident	4 Å²	4	53.5 Å²	53.5	2%	0.021	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	96.8	170.4	173.8	55.8	0	0	0	108.9	K215 L242 L249 Y251 F261 I286 R292 I296	K215-L294 HydrophobicContact CD-CD1 4.41Å; K215-L294 HydrophobicContact CG-CD1 3.67Å; L242-L294 HydrophobicContact CD1-CD2 4.33Å; L249-L294 HydrophobicContact CD1-CD2 3.6Å; Y251-L294 HydrophobicContact CD1-CD1 3.81Å; Y251-L294 HydrophobicContact CD1-CD2 4.22Å; Y251-L294 HydrophobicContact CE1-CD1 3.77Å; F261-L294 HydrophobicContact CE1-CD2 4.34Å; I286-L294 HydrophobicContact CB-CB 4.3Å; I286-L294 HydrophobicContact CD1-CD2 4.31Å; I286-L294 PolarHBondContact N-O 3.05Å; I286-L294 PolarHBondContact O-N 3.3Å; R292-L294 PolarHBondContact O-N 2.89Å; L294-I296 HydrophobicContact CD1-CG1 4.5Å; L294-I296 HydrophobicContact CG-CD1 4.44Å; L294-I296 HydrophobicContact CG-CG1 4.39Å
295	I	88	Confident	81.1	Confident	1 Å²	1	57 Å²	57	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	124.5	-176.5	-53.3	-132.3	0	0	0	111.2	R216 W237 T278 V284 C285 D293	R216-I295 HydrophobicContact CB-CB 4.02Å; R216-I295 HydrophobicContact CB-CG2 4.36Å; R216-I295 PolarHBondContact N-O 3.25Å; R216-I295 VanDerWaalsContact NH2-CD1 3.33Å; W237-I295 HydrophobicContact CH2-CG2 4.19Å; T278-I295 HydrophobicContact CG2-CD1 4.23Å; T278-I295 HydrophobicContact CG2-CG2 4.21Å; V284-I295 WeakPolarHBondContact O-CA 3.37Å; C285-I295 HydrophobicContact CB-CD1 3.86Å; C285-I295 HydrophobicContact CB-CG1 4.27Å; C285-I295 WeakPolarHBondContact SG-CD1 3.29Å; D293-I295 HydrophobicContact CB-CD1 4.32Å; D293-I295 HydrophobicContact CB-CG1 3.99Å; D293-I295 PolarHBondContact O-N 2.91Å
296	I	90.3	Very high	80.9	Confident	4 Å²	4	59.2 Å²	59.2	2%	0.021	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	131	-176.6	-58.9	172.3	0	0	0	109.4	I213 I214 L242 G283 V284 I286 L294	I213-I296 HydrophobicContact CB-CG2 3.89Å; I213-I296 HydrophobicContact CD1-CD1 3.83Å; I213-I296 HydrophobicContact CD1-CG1 3.98Å; I213-I296 HydrophobicContact CG2-CD1 4.46Å; I213-I296 HydrophobicContact CG2-CG2 4.09Å; I214-I296 CarbonylContact O-C 3.35Å; I214-I296 WeakPolarHBondContact O-CA 3.44Å; L242-I296 HydrophobicContact CD1-CD1 4.34Å; L242-I296 HydrophobicContact CD2-CD1 4.1Å; G283-I296 CarbonylContact C-O 3.56Å; G283-I296 WeakPolarHBondContact CA-O 3.23Å; V284-I296 PolarHBondContact N-O 2.82Å; V284-I296 PolarHBondContact O-N 3.33Å; I286-I296 HydrophobicContact CD1-CD1 4.07Å; L294-I296 HydrophobicContact CD1-CG1 4.5Å; L294-I296 HydrophobicContact CG-CD1 4.44Å; L294-I296 HydrophobicContact CG-CG1 4.39Å
297	K	88.6	Confident	80.8	Confident	99 Å²	99	59.6 Å²	59.6	43%	0.43	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	117.2	176.6	177.8	176.3	-177.7	177.2	0	111.1	I214 W237	I214-K297 HydrophobicContact CB-CB 4.33Å; I214-K297 HydrophobicContact CG2-CB 4.29Å; I214-K297 PolarHBondContact O-N 3.08Å; W237-K297 HydrophobicContact CD2-CB 4.47Å; W237-K297 HydrophobicContact CD2-CD 4.31Å; W237-K297 HydrophobicContact CE3-CB 3.81Å; W237-K297 HydrophobicContact CE3-CD 4.45Å; W237-K297 HydrophobicContact CH2-CB 3.9Å; W237-K297 HydrophobicContact CZ3-CB 3.49Å; W237-K297 VanDerWaalsContact CZ3-CB 3.49Å
298	C	86.5	Confident	81	Confident	7 Å²	7	58.1 Å²	58.1	5%	0.047	25%	0.247	C	C	.	.			trans	-91.4	161.6	170.9	-61.6	0	0	0	0	112	Y282 Q303	Y282-C298 VanDerWaalsContact O-CB 3.23Å; Y282-C298 WeakPolarHBondContact O-CB 3.46Å; Y282-C298 PolarHBondContact O-N 2.81Å; C298-Q303 HydrophobicContact CB-CB 4.04Å; C298-Q303 HydrophobicContact CB-CG 4.03Å
299	R	82.9	Confident	81.3	Confident	203 Å²	203	63.1 Å²	63.1	77%	0.766	27%	0.27	S	S	*	.	S	Bend	trans	-87.8	-8.5	179.2	-64.9	-180	174.7	171.7	-2.3	114.1
300	S	82.6	Confident	82	Confident	33 Å²	33	62.4 Å²	62.4	23%	0.231	27%	0.267	C	S	.	.	S	Bend	trans	-167.6	152.4	-179.8	59.9	0	0	0	0	110.8	R302 Q303 S304	S300-R302 PolarHBondContact O-N 2.82Å; S300-Q303 WeakPolarHBondContact O-CA 3.24Å; S300-Q303 WeakPolarHBondContact O-CB 3.32Å; S300-Q303 PolarHBondContact O-N 3.22Å; S300-S304 PolarHBondContact O-N 2.79Å
301	Y	80.8	Confident	83.2	Confident	141 Å²	141	61 Å²	61	55%	0.553	26%	0.259	S	S	*	.	H	α-helix	trans	-49.2	-40.4	174.7	179.5	-99.6	0	0	0	113.9	Y282 Q303 S304 Q305	Y282-Y301 VanDerWaalsContact CD1-N 3.34Å; Y301-Q303 PolarHBondContact O-N 2.8Å; Y301-S304 WeakPolarHBondContact CA-OG 3.41Å; Y301-S304 PolarHBondContact O-N 3.2Å; Y301-S304 PolarHBondContact O-OG 3.44Å; Y301-Q305 HydrophobicContact CD1-CG 4.04Å; Y301-Q305 HydrophobicContact CD2-CG 4.39Å; Y301-Q305 HydrophobicContact CE1-CG 3.62Å; Y301-Q305 HydrophobicContact CE2-CG 4.01Å; Y301-Q305 HydrophobicContact CG-CG 4.41Å; Y301-Q305 WeakPolarHBondContact O-CB 3.44Å; Y301-Q305 WeakPolarHBondContact O-CG 3.42Å; Y301-Q305 PolarHBondContact O-N 3.42Å; Y301-Q305 PolarHBondContact OH-NE2 2.88Å
302	R	78.4	Confident	84.7	Confident	133 Å²	133	56.5 Å²	56.5	50%	0.502	25%	0.246	S	C	.	.	H	α-helix	trans	-61.1	-30.6	176.2	-64.2	-169.3	-174.1	-161.9	-0.1	113.2	S300 W306	S300-R302 PolarHBondContact O-N 2.82Å; R302-W306 VanDerWaalsContact O-CB 3.29Å; R302-W306 WeakPolarHBondContact O-CB 3.34Å; R302-W306 PolarHBondContact O-N 3.11Å; R302-W306 VanDerWaalsContact O-N 3.1Å
303	Q	82.1	Confident	85.8	Confident	58 Å²	58	57 Å²	57	27%	0.271	25%	0.252	S	S	.	.	H	α-helix	trans	-80.3	-36.9	179.2	-176.3	-176.3	19.5	0	0	111.7	C298 S300 Y301 W306 W307	C298-Q303 HydrophobicContact CB-CB 4.04Å; C298-Q303 HydrophobicContact CB-CG 4.03Å; S300-Q303 WeakPolarHBondContact O-CA 3.24Å; S300-Q303 WeakPolarHBondContact O-CB 3.32Å; S300-Q303 PolarHBondContact O-N 3.22Å; Y301-Q303 PolarHBondContact O-N 2.8Å; Q303-W306 PolarHBondContact O-N 2.96Å; Q303-W307 VanDerWaalsContact O-CD1 3.26Å; Q303-W307 PolarHBondContact O-N 3.26Å
304	S	85.7	Confident	86.3	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-67.7	-43	174	47.9	0	0	0	0	111.3	S300 Y301 W306 W307 T308	S300-S304 PolarHBondContact O-N 2.79Å; Y301-S304 WeakPolarHBondContact CA-OG 3.41Å; Y301-S304 PolarHBondContact O-N 3.2Å; Y301-S304 PolarHBondContact O-OG 3.44Å; S304-W306 VanDerWaalsContact C-N 3.34Å; S304-W306 PolarHBondContact O-N 3.03Å; S304-W307 PolarHBondContact O-N 3.26Å; S304-T308 PolarHBondContact O-N 2.63Å; S304-T308 PolarHBondContact O-OG1 3.03Å
305	Q	85.3	Confident	86.4	Confident	74 Å²	74	56.2 Å²	56.2	35%	0.346	25%	0.248	S	C	.	.	H	α-helix	trans	-61.3	-39.8	173.5	-70.9	-62.2	-26.1	0	0	112.7	Y301 T308 H309	Y301-Q305 HydrophobicContact CD1-CG 4.04Å; Y301-Q305 HydrophobicContact CD2-CG 4.39Å; Y301-Q305 HydrophobicContact CE1-CG 3.62Å; Y301-Q305 HydrophobicContact CE2-CG 4.01Å; Y301-Q305 HydrophobicContact CG-CG 4.41Å; Y301-Q305 WeakPolarHBondContact O-CB 3.44Å; Y301-Q305 WeakPolarHBondContact O-CG 3.42Å; Y301-Q305 PolarHBondContact O-N 3.42Å; Y301-Q305 PolarHBondContact OH-NE2 2.88Å; Q305-T308 PolarHBondContact O-N 3.16Å; Q305-H309 VanDerWaalsContact O-CB 3.32Å; Q305-H309 WeakPolarHBondContact O-CB 3.26Å; Q305-H309 PolarHBondContact O-N 2.92Å
306	W	84.5	Confident	86.3	Confident	46 Å²	46	62.8 Å²	62.8	17%	0.174	28%	0.279	C	S	.	.	H	α-helix	trans	-61.1	-52.4	174.9	178.7	63.4	0	0	0	112.2	L209 R302 Q303 S304 T308 H309 E310	L209-W306 HydrophobicContact CD1-CH2 3.74Å; L209-W306 HydrophobicContact CD1-CZ2 3.85Å; R302-W306 VanDerWaalsContact O-CB 3.29Å; R302-W306 WeakPolarHBondContact O-CB 3.34Å; R302-W306 PolarHBondContact O-N 3.11Å; R302-W306 VanDerWaalsContact O-N 3.1Å; Q303-W306 PolarHBondContact O-N 2.96Å; S304-W306 VanDerWaalsContact C-N 3.34Å; S304-W306 PolarHBondContact O-N 3.03Å; W306-T308 VanDerWaalsContact C-N 3.34Å; W306-T308 PolarHBondContact O-N 3.27Å; W306-H309 PolarHBondContact O-N 3.33Å; W306-E310 HydrophobicContact CD2-CG 4.44Å; W306-E310 HydrophobicContact CG-CG 4.28Å; W306-E310 PolarHBondContact NE1-OE1 3.21Å; W306-E310 WeakPolarHBondContact O-CG 3.45Å; W306-E310 PolarHBondContact O-N 2.57Å
307	W	87.9	Confident	85.8	Confident	9 Å²	9	67.2 Å²	67.2	3%	0.034	31%	0.31	C	S	.	.	H	α-helix	trans	-56.5	-46.4	176.1	-82.1	117.7	0	0	0	112	L209 I213 L242 V284 Q303 S304 I311	L209-W307 HydrophobicContact CD1-CZ3 4.33Å; L209-W307 HydrophobicContact CD2-CE3 3.57Å; L209-W307 HydrophobicContact CD2-CZ3 3.54Å; L209-W307 HydrophobicContact CG-CE3 4.23Å; L209-W307 HydrophobicContact CG-CZ3 3.69Å; I213-W307 HydrophobicContact CG2-CH2 4.06Å; I213-W307 HydrophobicContact CG2-CZ2 3.61Å; L242-W307 HydrophobicContact CB-CH2 4.35Å; L242-W307 HydrophobicContact CD2-CE3 4.05Å; L242-W307 HydrophobicContact CD2-CH2 4.14Å; L242-W307 HydrophobicContact CD2-CZ3 3.66Å; V284-W307 HydrophobicContact CG2-CB 4.42Å; Q303-W307 VanDerWaalsContact O-CD1 3.26Å; Q303-W307 PolarHBondContact O-N 3.26Å; S304-W307 PolarHBondContact O-N 3.26Å; W307-I311 HydrophobicContact CB-CD1 4.43Å; W307-I311 HydrophobicContact CE3-CD1 4.17Å; W307-I311 HydrophobicContact CE3-CG1 4.46Å; W307-I311 VanDerWaalsContact O-CB 3.28Å; W307-I311 WeakPolarHBondContact O-CB 3.2Å; W307-I311 WeakPolarHBondContact O-CD1 3.35Å; W307-I311 WeakPolarHBondContact O-CG1 3.46Å; W307-I311 PolarHBondContact O-N 2.81Å
308	T	88.8	Confident	85.8	Confident	14 Å²	14	63 Å²	63	9%	0.086	29%	0.292	C	S	.	.	H	α-helix	trans	-62.8	-43.4	179.1	-64.3	0	0	0	0	112.8	V271 V273 S304 Q305 W306 N312	V271-T308 HydrophobicContact CB-CG2 4.26Å; V271-T308 HydrophobicContact CG1-CG2 3.9Å; V271-T308 WeakPolarHBondContact CG1-OG1 3.22Å; V271-T308 WeakPolarHBondContact O-CG2 3.36Å; V273-T308 HydrophobicContact CG2-CG2 4.12Å; V273-T308 WeakPolarHBondContact CG2-OG1 3.33Å; S304-T308 PolarHBondContact O-N 2.63Å; S304-T308 PolarHBondContact O-OG1 3.03Å; Q305-T308 PolarHBondContact O-N 3.16Å; W306-T308 VanDerWaalsContact C-N 3.34Å; W306-T308 PolarHBondContact O-N 3.27Å; T308-N312 VanDerWaalsContact O-CB 3.28Å; T308-N312 WeakPolarHBondContact O-CB 3.17Å; T308-N312 PolarHBondContact O-N 2.86Å; T308-N312 VanDerWaalsContact O-N 3.07Å; T308-N312 PolarHBondContact O-ND2 3.25Å
309	H	88.9	Confident	85.9	Confident	113 Å²	113	65.2 Å²	65.2	52%	0.523	30%	0.304	S	S	.	.	H	α-helix	trans	-62.9	-49.8	178.8	-179.2	64.6	0	0	0	111.9	Q305 W306 N312 Q313	Q305-H309 VanDerWaalsContact O-CB 3.32Å; Q305-H309 WeakPolarHBondContact O-CB 3.26Å; Q305-H309 PolarHBondContact O-N 2.92Å; W306-H309 PolarHBondContact O-N 3.33Å; H309-N312 PolarHBondContact O-N 3.38Å; H309-Q313 WeakPolarHBondContact O-CB 3.41Å; H309-Q313 PolarHBondContact O-N 2.78Å
310	E	87.8	Confident	86.2	Confident	30 Å²	30	56 Å²	56	14%	0.14	27%	0.27	C	S	.	.	H	α-helix	trans	-75.2	-32.9	-172.6	-50.4	-109.8	170.1	0	0	111.4	K108 L209 W306 L314	K108-E310 IonicContact NZ-OE1 2.76Å; L209-E310 HydrophobicContact CD2-CB 3.72Å; W306-E310 HydrophobicContact CD2-CG 4.44Å; W306-E310 HydrophobicContact CG-CG 4.28Å; W306-E310 PolarHBondContact NE1-OE1 3.21Å; W306-E310 WeakPolarHBondContact O-CG 3.45Å; W306-E310 PolarHBondContact O-N 2.57Å; E310-L314 WeakPolarHBondContact O-CG 3.34Å; E310-L314 PolarHBondContact O-N 2.84Å
311	I	90.8	Very high	86.6	Confident	1 Å²	1	56.9 Å²	56.9	1%	0.005	27%	0.272	C	S	.	.	H	α-helix	trans	-64.7	-47.2	170.9	-67.1	168.2	0	0	0	110.4	L209 L242 V244 F269 V271 I286 W307 Q313 L314 A315	L209-I311 HydrophobicContact CD2-CG1 4.05Å; L242-I311 HydrophobicContact CD2-CD1 4.4Å; V244-I311 HydrophobicContact CG1-CG1 4.37Å; V244-I311 HydrophobicContact CG1-CG2 4.39Å; V244-I311 HydrophobicContact CG2-CG1 4.16Å; F269-I311 HydrophobicContact CE1-CG2 4.27Å; F269-I311 HydrophobicContact CZ-CG2 3.78Å; V271-I311 HydrophobicContact CG2-CG2 3.77Å; I286-I311 HydrophobicContact CD1-CD1 3.93Å; W307-I311 HydrophobicContact CB-CD1 4.43Å; W307-I311 HydrophobicContact CE3-CD1 4.17Å; W307-I311 HydrophobicContact CE3-CG1 4.46Å; W307-I311 VanDerWaalsContact O-CB 3.28Å; W307-I311 WeakPolarHBondContact O-CB 3.2Å; W307-I311 WeakPolarHBondContact O-CD1 3.35Å; W307-I311 WeakPolarHBondContact O-CG1 3.46Å; W307-I311 PolarHBondContact O-N 2.81Å; I311-Q313 VanDerWaalsContact C-N 3.31Å; I311-Q313 PolarHBondContact O-N 3.49Å; I311-L314 PolarHBondContact O-N 2.86Å; I311-A315 WeakPolarHBondContact O-CB 3.3Å; I311-A315 PolarHBondContact O-N 3.04Å
312	N	91.1	Very high	87.1	Confident	57 Å²	57	56.3 Å²	56.3	31%	0.305	27%	0.272	S	S	.	.	H	α-helix	trans	-65.7	-35.9	179	-70	-6.1	0	0	0	111.6	V271 T308 H309 A315 Q316	V271-N312 WeakPolarHBondContact CB-OD1 3.39Å; V271-N312 VanDerWaalsContact CG2-OD1 3.27Å; V271-N312 WeakPolarHBondContact CG2-OD1 3.48Å; T308-N312 VanDerWaalsContact O-CB 3.28Å; T308-N312 WeakPolarHBondContact O-CB 3.17Å; T308-N312 PolarHBondContact O-N 2.86Å; T308-N312 VanDerWaalsContact O-N 3.07Å; T308-N312 PolarHBondContact O-ND2 3.25Å; H309-N312 PolarHBondContact O-N 3.38Å; N312-A315 PolarHBondContact O-N 2.98Å; N312-Q316 WeakPolarHBondContact O-CB 3.3Å; N312-Q316 VanDerWaalsContact O-CG 3.23Å; N312-Q316 WeakPolarHBondContact O-CG 3.39Å; N312-Q316 PolarHBondContact O-N 2.8Å
313	Q	89.1	Confident	87.6	Confident	108 Å²	108	54.3 Å²	54.3	51%	0.505	27%	0.274	S	S	.	.	H	α-helix	trans	-64.8	-41.8	176.1	-173.8	179.8	9.5	0	0	112.4	H309 I311	H309-Q313 WeakPolarHBondContact O-CB 3.41Å; H309-Q313 PolarHBondContact O-N 2.78Å; I311-Q313 VanDerWaalsContact C-N 3.31Å; I311-Q313 PolarHBondContact O-N 3.49Å
314	L	86.9	Confident	88.2	Confident	48 Å²	48	53.3 Å²	53.3	25%	0.251	27%	0.269	S	S	.	.	H	α-helix	trans	-68.7	-39.1	174.4	-73.1	173.9	0	0	0	112.2	L209 V244 E310 I311 Q316 S317	L209-L314 HydrophobicContact CB-CD1 3.5Å; V244-L314 HydrophobicContact CB-CD1 4.29Å; V244-L314 HydrophobicContact CG1-CD1 4.08Å; E310-L314 WeakPolarHBondContact O-CG 3.34Å; E310-L314 PolarHBondContact O-N 2.84Å; I311-L314 PolarHBondContact O-N 2.86Å; L314-Q316 VanDerWaalsContact C-N 3.34Å; L314-Q316 PolarHBondContact O-N 2.94Å; L314-S317 PolarHBondContact O-OG 2.9Å
315	A	87.7	Confident	88.7	Confident	1 Å²	1	56.8 Å²	56.8	1%	0.008	28%	0.283	C	S	.	.	H	α-helix	trans	-71.7	-26.2	-179.6	0	0	0	0	0	112.9	F265 F269 I311 N312 S317 C318 L321	F265-A315 HydrophobicContact CD2-CB 3.91Å; F265-A315 HydrophobicContact CE2-CB 3.74Å; F265-A315 HydrophobicContact CZ-CB 4.24Å; F269-A315 HydrophobicContact CD1-CB 4.39Å; F269-A315 HydrophobicContact CE1-CB 3.86Å; I311-A315 WeakPolarHBondContact O-CB 3.3Å; I311-A315 PolarHBondContact O-N 3.04Å; N312-A315 PolarHBondContact O-N 2.98Å; A315-S317 PolarHBondContact O-N 2.84Å; A315-S317 VanDerWaalsContact O-N 3.13Å; A315-C318 WeakPolarHBondContact O-CB 3.26Å; A315-C318 PolarHBondContact O-N 3.38Å; A315-L321 HydrophobicContact CB-CD1 3.93Å; A315-L321 WeakPolarHBondContact O-CD1 3.36Å
316	Q	85.6	Confident	89.2	Confident	140 Å²	140	54.3 Å²	54.3	65%	0.654	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-29.3	-178	-91.1	166.6	7.9	0	0	115.1	N312 L314 C318	N312-Q316 WeakPolarHBondContact O-CB 3.3Å; N312-Q316 VanDerWaalsContact O-CG 3.23Å; N312-Q316 WeakPolarHBondContact O-CG 3.39Å; N312-Q316 PolarHBondContact O-N 2.8Å; L314-Q316 VanDerWaalsContact C-N 3.34Å; L314-Q316 PolarHBondContact O-N 2.94Å; Q316-C318 VanDerWaalsContact C-N 3.34Å
317	S	81	Confident	89.6	Confident	97 Å²	97	58.1 Å²	58.1	68%	0.678	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-2.1	176.5	50.8	0	0	0	0	114.3	L314 A315	L314-S317 PolarHBondContact O-OG 2.9Å; A315-S317 PolarHBondContact O-N 2.84Å; A315-S317 VanDerWaalsContact O-N 3.13Å
318	C	87.1	Confident	89.8	Confident	9 Å²	9	57.8 Å²	57.8	6%	0.061	29%	0.29	C	S	.	.			trans	-82.9	120.6	-177.4	-176.1	0	0	0	0	111.7	D246 F265 A315 Q316 F320 L321	D246-C318 WeakPolarHBondContact O-CB 3.29Å; F265-C318 HydrophobicContact CD2-CB 4.07Å; A315-C318 WeakPolarHBondContact O-CB 3.26Å; A315-C318 PolarHBondContact O-N 3.38Å; Q316-C318 VanDerWaalsContact C-N 3.34Å; C318-F320 PolarHBondContact O-N 2.9Å; C318-L321 HydrophobicContact CB-CG 4.25Å; C318-L321 PolarHBondContact O-N 3.48Å
319	D	88.6	Confident	90	Very high	55 Å²	55	57.9 Å²	57.9	29%	0.294	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-51.9	-42	173.1	-66.8	-33.5	0	0	0	112	L321 K322 H324 P331 R333	D319-L321 PolarHBondContact O-N 2.72Å; D319-L321 VanDerWaalsContact O-N 3.1Å; D319-K322 PolarHBondContact O-N 2.72Å; D319-H324 PolarHBondContact O-CE1 2.89Å; D319-H324 PolarHBondContact O-NE2 3.35Å; D319-P331 HydrophobicContact CB-CG 4.16Å; D319-R333 IonicContact OD2-CZ 2.69Å; D319-R333 IonicContact OD2-NH1 2.65Å; D319-R333 PolarHBondContact OD2-NH1 2.95Å; D319-R333 IonicContact OD2-NH2 2.72Å; D319-R333 PolarHBondContact OD2-NH2 3.46Å
320	F	90.6	Very high	90.3	Very high	9 Å²	9	52.5 Å²	52.5	4%	0.039	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-70.8	-4.8	-171.8	-51.3	-73.4	0	0	0	114.5	F265 D266 P267 C318 F329 D576 R579 H608	F265-F320 WeakPolarHBondContact O-CB 3.45Å; D266-F320 CarbonylContact C-O 3.54Å; D266-F320 VanDerWaalsContact C-O 3.31Å; D266-F320 WeakPolarHBondContact CA-O 3.35Å; P267-F320 VanDerWaalsContact CD-O 3.26Å; P267-F320 WeakPolarHBondContact CD-O 3.25Å; C318-F320 PolarHBondContact O-N 2.9Å; F320-F329 HydrophobicContact CD1-CD2 4.13Å; F320-F329 WeakPolarHBondContact CD1-O 3.25Å; F320-F329 HydrophobicContact CE1-CD2 4.13Å; F320-F329 HydrophobicContact CE1-CE2 4.34Å; F320-D576 VanDerWaalsContact CZ-OD1 3.28Å; F320-D576 WeakPolarHBondContact CZ-OD1 3.26Å; F320-R579 VanDerWaalsContact CE1-CD 3.42Å; F320-R579 VanDerWaalsContact CG-NE 3.3Å; F320-H608 AromaticContact CE2-CE1 3.61Å; F320-H608 AromaticContact CZ-CE1 3.56Å; F320-H608 AromaticContact CZ-NE2 3.69Å
321	L	90.3	Very high	90.7	Very high	52 Å²	52	51.8 Å²	51.8	27%	0.272	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-72.6	-16.4	166.8	-71.9	-168.9	0	0	0	113.2	F265 F269 A315 C318 D319	F265-L321 HydrophobicContact CB-CD2 3.98Å; F269-L321 HydrophobicContact CB-CD2 3.65Å; F269-L321 HydrophobicContact CD1-CD2 3.7Å; F269-L321 HydrophobicContact CG-CD2 3.95Å; A315-L321 HydrophobicContact CB-CD1 3.93Å; A315-L321 WeakPolarHBondContact O-CD1 3.36Å; C318-L321 HydrophobicContact CB-CG 4.25Å; C318-L321 PolarHBondContact O-N 3.48Å; D319-L321 PolarHBondContact O-N 2.72Å; D319-L321 VanDerWaalsContact O-N 3.1Å
322	K	90.1	Very high	91	Very high	128 Å²	128	53.6 Å²	53.6	56%	0.557	27%	0.274	S	S	*	.	S	Bend	trans	-107.1	148.1	-175.2	-62.3	170.1	-171	164.2	0	110.2	D319 H324	D319-K322 PolarHBondContact O-N 2.72Å; K322-H324 PolarHBondContact O-CD2 3Å; K322-H324 PolarHBondContact O-NE2 3.07Å
323	V	90	Very high	91.2	Very high	91 Å²	91	51.8 Å²	51.8	55%	0.552	26%	0.263	S	S	*	.			trans	-82.8	129	163.8	175.9	0	0	0	0	107.4	P267 Q327	P267-V323 HydrophobicContact CB-CG2 3.91Å; P267-V323 HydrophobicContact CG-CG2 3.82Å; V323-Q327 VanDerWaalsContact CG1-CA 3.5Å; V323-Q327 HydrophobicContact CG1-CB 4.02Å
324	H	94.5	Very high	91.5	Very high	37 Å²	37	51.7 Å²	51.7	17%	0.171	26%	0.262	C	S	.	.			trans	-102.5	-171.6	-172.9	-65.3	-76.2	0	0	0	112.5	D319 K322 F326 Q327 G328 F329 A330	D319-H324 PolarHBondContact O-CE1 2.89Å; D319-H324 PolarHBondContact O-NE2 3.35Å; K322-H324 PolarHBondContact O-CD2 3Å; K322-H324 PolarHBondContact O-NE2 3.07Å; H324-F326 PolarHBondContact O-N 3.15Å; H324-Q327 WeakPolarHBondContact O-CA 3.43Å; H324-Q327 PolarHBondContact O-N 3.06Å; H324-G328 WeakPolarHBondContact CB-O 3.48Å; H324-G328 PolarHBondContact N-O 2.7Å; H324-F329 PolarHBondContact CD2-O 3.4Å; H324-A330 WeakPolarHBondContact CB-O 3.37Å
325	R	95.5	Very high	91.8	Very high	74 Å²	74	53.8 Å²	53.8	28%	0.279	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-48.5	138.5	172.8	-170.9	176.8	64.2	165	-2.2	110.3	Q327 G328 Q627 E815	R325-Q327 PolarHBondContact O-N 3.49Å; R325-G328 PolarHBondContact O-N 3.49Å; R325-Q627 PolarHBondContact O-NE2 2.81Å; R325-E815 IonicContact CZ-OE2 3.86Å; R325-E815 VanDerWaalsContact NH1-CD 3.34Å; R325-E815 IonicContact NH1-OE1 3.4Å; R325-E815 PolarHBondContact NH1-OE1 2.88Å; R325-E815 IonicContact NH1-OE2 3.77Å; R325-E815 PolarHBondContact NH1-OE2 2.64Å; R325-E815 IonicContact NH2-OE2 1.81Å; R325-E815 PolarHBondContact NH2-OE2 3.4Å
326	F	95.8	Very high	92.2	Very high	22 Å²	22	54.3 Å²	54.3	10%	0.096	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	63.8	21.7	-173.7	-45.2	-50.9	0	0	0	115.2	H324 G328 L629 S643 Q646 A647 H650 L813	H324-F326 PolarHBondContact O-N 3.15Å; F326-G328 PolarHBondContact O-N 3.09Å; F326-L629 HydrophobicContact CD2-CD2 3.98Å; F326-S643 WeakPolarHBondContact O-CA 3.5Å; F326-S643 WeakPolarHBondContact O-CB 3.44Å; F326-Q646 HydrophobicContact CB-CB 3.81Å; F326-A647 HydrophobicContact CB-CB 4.4Å; F326-A647 HydrophobicContact CD1-CB 4.3Å; F326-A647 HydrophobicContact CD2-CB 3.65Å; F326-A647 HydrophobicContact CE2-CB 3.96Å; F326-A647 HydrophobicContact CG-CB 3.84Å; F326-A647 HydrophobicContact CZ-CB 4.43Å; F326-H650 HydrophobicContact CD1-CB 4.19Å; F326-H650 HydrophobicContact CE1-CB 3.59Å; F326-H650 AromaticContact CE1-CD2 3.41Å; F326-H650 VanDerWaalsContact CE1-CD2 3.41Å; F326-H650 WeakPolarHBondContact CE1-CD2 3.4Å; F326-H650 AromaticContact CE1-CG 3.48Å; F326-H650 VanDerWaalsContact CE1-CG 3.48Å; F326-H650 HydrophobicContact CZ-CB 4.44Å; F326-H650 AromaticContact CZ-CD2 3.61Å; F326-L813 HydrophobicContact CE2-CD2 3.53Å; F326-L813 HydrophobicContact CZ-CD2 4.12Å
327	Q	93.3	Very high	92.7	Very high	125 Å²	125	49.4 Å²	49.4	58%	0.584	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	60.2	22.4	-172.9	-50	-175.9	38.3	0	0	113.4	V323 H324 R325	V323-Q327 VanDerWaalsContact CG1-CA 3.5Å; V323-Q327 HydrophobicContact CG1-CB 4.02Å; H324-Q327 WeakPolarHBondContact O-CA 3.43Å; H324-Q327 PolarHBondContact O-N 3.06Å; R325-Q327 PolarHBondContact O-N 3.49Å
328	G	91.9	Very high	93.5	Very high	2 Å²	2	44.8 Å²	44.8	2%	0.021	22%	0.222	C	C	.	.			trans	-79.4	158.3	-174.3	0	0	0	0	0	114.9	H324 R325 F326 A330 E641	H324-G328 WeakPolarHBondContact CB-O 3.48Å; H324-G328 PolarHBondContact N-O 2.7Å; R325-G328 PolarHBondContact O-N 3.49Å; F326-G328 PolarHBondContact O-N 3.09Å; G328-A330 VanDerWaalsContact C-N 3.34Å; G328-E641 VanDerWaalsContact CA-OE1 3.26Å; G328-E641 WeakPolarHBondContact CA-OE1 3.26Å
329	F	93.9	Very high	94	Very high	17 Å²	17	46.3 Å²	46.3	8%	0.075	23%	0.228	C	C	.	.	S	Bend	trans	-71.9	-24.9	174.4	79.7	-74.7	0	0	0	114.2	F320 H324 D576 H580 V628 R630 E641	F320-F329 HydrophobicContact CD1-CD2 4.13Å; F320-F329 WeakPolarHBondContact CD1-O 3.25Å; F320-F329 HydrophobicContact CE1-CD2 4.13Å; F320-F329 HydrophobicContact CE1-CE2 4.34Å; H324-F329 PolarHBondContact CD2-O 3.4Å; F329-D576 HydrophobicContact CE2-CB 4.44Å; F329-D576 HydrophobicContact CZ-CB 4.49Å; F329-H580 HydrophobicContact CZ-CB 4.38Å; F329-V628 HydrophobicContact CE1-CG1 4.12Å; F329-V628 HydrophobicContact CZ-CB 4.47Å; F329-V628 HydrophobicContact CZ-CG1 3.99Å; F329-R630 HydrophobicContact CD1-CG 3.95Å; F329-R630 VanDerWaalsContact CD1-NE 3.32Å; F329-R630 HydrophobicContact CE1-CG 3.98Å; F329-E641 WeakPolarHBondContact CB-OE2 3.23Å; F329-E641 WeakPolarHBondContact CD1-OE1 3.49Å; F329-E641 PolarHBondContact N-OE1 2.94Å; F329-E641 VanDerWaalsContact N-OE1 3.08Å
330	A	95.4	Very high	94.5	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.223	C	C	.	.	S	Bend	trans	-112.9	138.2	-176.2	0	0	0	0	0	111.5	H324 G328 D576 Q627 V628	H324-A330 WeakPolarHBondContact CB-O 3.37Å; G328-A330 VanDerWaalsContact C-N 3.34Å; A330-D576 HydrophobicContact CB-CB 4.08Å; A330-Q627 PolarHBondContact O-NE2 3.38Å; A330-V628 HydrophobicContact CB-CB 4.37Å
331	P	95.8	Very high	94.8	Very high	14 Å²	14	45.8 Å²	45.8	9%	0.091	22%	0.222	C	C	.	.			trans	-72	162.3	169.9	32.1	-34.9	0	0	0	111	D319 R333	D319-P331 HydrophobicContact CB-CG 4.16Å; P331-R333 VanDerWaalsContact CG-CZ 3.47Å
332	P	96.8	Very high	95.2	Very high	39 Å²	39	44.3 Å²	44.3	25%	0.253	22%	0.215	S	C	.	.			trans	-56.5	141	160.1	-18.7	31.6	0	0	0	111	K625 Q627	P332-K625 HydrophobicContact CB-CD 4.1Å; P332-K625 HydrophobicContact CB-CG 3.94Å; P332-Q627 HydrophobicContact CB-CB 4.38Å; P332-Q627 HydrophobicContact CG-CB 4.47Å; P332-Q627 HydrophobicContact CG-CG 4.4Å
333	R	95.9	Very high	95.5	Very high	20 Å²	20	38.5 Å²	38.5	8%	0.075	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	111.1	175.8	-54.2	-55.9	-168.4	177.6	-0.4	108.5	D319 P331 T336 K572 A573 D576 H608 K625 V626	D319-R333 IonicContact OD2-CZ 2.69Å; D319-R333 IonicContact OD2-NH1 2.65Å; D319-R333 PolarHBondContact OD2-NH1 2.95Å; D319-R333 IonicContact OD2-NH2 2.72Å; D319-R333 PolarHBondContact OD2-NH2 3.46Å; P331-R333 VanDerWaalsContact CG-CZ 3.47Å; R333-T336 WeakPolarHBondContact CB-OG1 3.35Å; R333-T336 PolarHBondContact O-OG1 3.43Å; R333-K572 HydrophobicContact CB-CB 4.46Å; R333-K572 HydrophobicContact CG-CB 4.05Å; R333-A573 HydrophobicContact CG-CB 4.36Å; R333-D576 IonicContact CZ-OD1 2.64Å; R333-D576 IonicContact CZ-OD2 3.93Å; R333-D576 IonicContact NE-OD1 3.24Å; R333-D576 IonicContact NE-OD2 2.68Å; R333-D576 PolarHBondContact NE-OD2 2.85Å; R333-D576 IonicContact NH2-OD1 3.35Å; R333-D576 PolarHBondContact NH2-OD1 2.77Å; R333-D576 IonicContact NH2-OD2 2.6Å; R333-D576 PolarHBondContact NH2-OD2 2.82Å; R333-D576 VanDerWaalsContact NH2-OD2 3.15Å; R333-H608 PolarHBondContact NH2-CD2 3.48Å; R333-H608 PolarHBondContact NH2-NE2 2.9Å; R333-K625 CarbonylContact O-C 3.29Å; R333-K625 WeakPolarHBondContact O-CA 3.44Å; R333-V626 WeakPolarHBondContact CB-O 3.41Å; R333-V626 PolarHBondContact N-O 3.3Å; R333-V626 PolarHBondContact O-N 3.3Å
334	E	95.1	Very high	95.8	Very high	106 Å²	106	34.1 Å²	34.1	50%	0.495	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	161.3	174.2	-41.8	-57.9	-140.9	0	0	110.6	T336 K625	E334-T336 PolarHBondContact O-N 3.08Å; E334-T336 PolarHBondContact O-OG1 3.05Å; E334-K625 WeakPolarHBondContact OE1-CE 3.23Å; E334-K625 IonicContact OE1-NZ 2.7Å; E334-K625 PolarHBondContact OE1-NZ 3.31Å; E334-K625 WeakPolarHBondContact OE2-CE 3.25Å; E334-K625 VanDerWaalsContact OE2-CG 3.28Å; E334-K625 WeakPolarHBondContact OE2-CG 3.01Å; E334-K625 IonicContact OE2-NZ 3.8Å; E334-K625 PolarHBondContact OE2-NZ 3.05Å
335	D	93.7	Very high	96	Very high	92 Å²	92	36.2 Å²	36.2	49%	0.492	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	53.6	28.9	169	-160.5	35.3	0	0	0	115	K623 E817	D335-K623 WeakPolarHBondContact OD1-CD 3.42Å; D335-K623 WeakPolarHBondContact OD1-CE 3.38Å; D335-K623 VanDerWaalsContact OD1-CG 3.29Å; D335-K623 WeakPolarHBondContact OD1-CG 3.32Å; D335-K623 IonicContact OD1-NZ 2.87Å; D335-K623 PolarHBondContact OD1-NZ 3.08Å; D335-K623 IonicContact OD2-NZ 3.87Å; D335-K623 PolarHBondContact OD2-NZ 3.47Å; D335-E817 PolarHBondContact N-OE2 2.95Å
336	T	95.8	Very high	96	Very high	11 Å²	11	37 Å²	37	7%	0.067	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	124.7	-172.3	-67.5	0	0	0	0	110.9	R333 E334 T338 A573 A624 V626	R333-T336 WeakPolarHBondContact CB-OG1 3.35Å; R333-T336 PolarHBondContact O-OG1 3.43Å; E334-T336 PolarHBondContact O-N 3.08Å; E334-T336 PolarHBondContact O-OG1 3.05Å; T336-T338 PolarHBondContact O-N 3.13Å; T336-A573 HydrophobicContact CG2-CB 3.84Å; T336-A624 PolarHBondContact N-O 3.47Å; T336-A624 PolarHBondContact O-N 2.8Å; T336-V626 HydrophobicContact CG2-CB 3.84Å; T336-V626 HydrophobicContact CG2-CG1 4.3Å; T336-V626 HydrophobicContact CG2-CG2 3.71Å
337	L	96.8	Very high	96.2	Very high	37 Å²	37	36 Å²	36	19%	0.194	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	122.6	174	-74.4	170.9	0	0	0	111	H570 L614 I617 Q622 K623	L337-H570 HydrophobicContact CB-CB 4.08Å; L337-H570 PolarHBondContact O-N 3.34Å; L337-H570 PolarHBondContact O-ND1 3.26Å; L337-L614 HydrophobicContact CD1-CD1 3.88Å; L337-I617 HydrophobicContact CD1-CD1 4.19Å; L337-I617 HydrophobicContact CD1-CG2 4.04Å; L337-Q622 CarbonylContact C-O 3.56Å; L337-Q622 WeakPolarHBondContact CA-O 3.28Å; L337-K623 HydrophobicContact CD2-CG 3.95Å; L337-K623 HydrophobicContact CG-CG 4.5Å
338	T	97.3	Very high	96.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	153.4	-178.4	-174.7	0	0	0	0	111.8	T336 T567 A568 S621 Q622 A624 V626 V814 L834	T336-T338 PolarHBondContact O-N 3.13Å; T338-T567 PolarHBondContact OG1-OG1 3.24Å; T338-A568 CarbonylContact C-O 3.59Å; T338-A568 VanDerWaalsContact CA-O 3.22Å; T338-A568 WeakPolarHBondContact CA-O 3.15Å; T338-A568 PolarHBondContact OG1-O 3.22Å; T338-S621 CarbonylContact O-C 3.48Å; T338-S621 WeakPolarHBondContact O-CA 3.43Å; T338-S621 WeakPolarHBondContact O-CB 3.1Å; T338-Q622 PolarHBondContact N-O 2.94Å; T338-Q622 PolarHBondContact O-N 3.26Å; T338-A624 HydrophobicContact CG2-CB 4Å; T338-V626 HydrophobicContact CG2-CG2 4.12Å; T338-V814 HydrophobicContact CG2-CG1 3.92Å; T338-L834 HydrophobicContact CG2-CD1 3.55Å
339	K	97.6	Very high	96.7	Very high	41 Å²	41	31.2 Å²	31.2	18%	0.178	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	127.4	175.2	175.1	178.7	-179.3	-179.1	0	110.1	Y341 D350 T567 A568 V618 P619 S621	K339-Y341 HydrophobicContact CD-CE1 4.01Å; K339-Y341 HydrophobicContact CG-CE1 4.46Å; K339-Y341 HydrophobicContact CG-CE2 4.42Å; K339-D350 IonicContact NZ-OD2 2.67Å; K339-D350 PolarHBondContact NZ-OD2 3.35Å; K339-T567 CarbonylContact O-C 3.31Å; K339-T567 VanDerWaalsContact O-CA 3.26Å; K339-T567 WeakPolarHBondContact O-CA 3.28Å; K339-T567 PolarHBondContact O-OG1 2.88Å; K339-T567 VanDerWaalsContact O-OG1 3.08Å; K339-A568 PolarHBondContact N-O 2.85Å; K339-A568 PolarHBondContact O-N 2.97Å; K339-V618 HydrophobicContact CB-CG1 4.4Å; K339-V618 HydrophobicContact CD-CG1 3.58Å; K339-P619 WeakPolarHBondContact CD-O 3.33Å; K339-P619 WeakPolarHBondContact CE-O 3.19Å; K339-P619 PolarHBondContact NZ-O 3.24Å; K339-S621 WeakPolarHBondContact CB-OG 3.45Å
340	W	97.8	Very high	96.9	Very high	48 Å²	48	31.2 Å²	31.2	18%	0.182	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	159.3	169.8	54.9	-104	0	0	0	111.8	V342 S566 Y790 I792 L834 A837 L838 E841	W340-V342 HydrophobicContact CE3-CG2 4.15Å; W340-V342 HydrophobicContact CZ3-CG2 4.06Å; W340-S566 CarbonylContact C-O 3.54Å; W340-S566 WeakPolarHBondContact CA-O 3.47Å; W340-Y790 HydrophobicContact CB-CE2 4.49Å; W340-I792 HydrophobicContact CB-CD1 4.21Å; W340-L834 PolarHBondContact NE1-O 3.49Å; W340-L834 VanDerWaalsContact NE1-O 3.08Å; W340-A837 HydrophobicContact CZ2-CB 3.81Å; W340-L838 HydrophobicContact CB-CD1 4.14Å; W340-L838 HydrophobicContact CB-CD2 4.38Å; W340-L838 HydrophobicContact CD2-CB 3.86Å; W340-L838 HydrophobicContact CD2-CD1 3.62Å; W340-L838 HydrophobicContact CD2-CG 4.27Å; W340-L838 HydrophobicContact CE3-CB 4.48Å; W340-L838 HydrophobicContact CE3-CD1 3.55Å; W340-L838 HydrophobicContact CG-CB 3.98Å; W340-L838 HydrophobicContact CG-CD1 3.88Å; W340-L838 HydrophobicContact CG-CD2 4.35Å; W340-L838 HydrophobicContact CG-CG 4.28Å; W340-L838 HydrophobicContact CZ2-CB 4.25Å; W340-L838 HydrophobicContact CZ3-CD1 4.19Å; W340-E841 HydrophobicContact CH2-CB 3.82Å; W340-E841 HydrophobicContact CH2-CG 4.13Å; W340-E841 HydrophobicContact CZ3-CB 4.14Å; W340-E841 HydrophobicContact CZ3-CG 4.17Å
341	Y	98.3	Very high	97	Very high	5 Å²	5	31.2 Å²	31.2	2%	0.02	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	146.4	174.1	-56.2	-92.5	0	0	0	110.3	K339 D346 Y347 D350 F461 L565 S566 A568 V618	K339-Y341 HydrophobicContact CD-CE1 4.01Å; K339-Y341 HydrophobicContact CG-CE1 4.46Å; K339-Y341 HydrophobicContact CG-CE2 4.42Å; Y341-D346 HydrophobicContact CD1-CB 4.19Å; Y341-Y347 AromaticContact CD2-CD2 3.96Å; Y341-Y347 HydrophobicContact CD2-CD2 3.96Å; Y341-Y347 HydrophobicContact CE2-CD2 4.23Å; Y341-Y347 HydrophobicContact CG-CD2 4.34Å; Y341-D350 HydrophobicContact CE1-CB 4.15Å; Y341-D350 WeakPolarHBondContact CE1-OD2 3.41Å; Y341-D350 WeakPolarHBondContact OH-CB 3.21Å; Y341-D350 PolarHBondContact OH-OD2 3.48Å; Y341-F461 HydrophobicContact CE2-CD1 4.34Å; Y341-F461 HydrophobicContact CE2-CE1 4.3Å; Y341-F461 WeakPolarHBondContact OH-CE1 3.41Å; Y341-L565 WeakPolarHBondContact O-CA 3.46Å; Y341-S566 PolarHBondContact N-O 3.47Å; Y341-S566 PolarHBondContact O-N 2.86Å; Y341-A568 HydrophobicContact CE2-CB 3.78Å; Y341-V618 VanDerWaalsContact OH-CG1 3.23Å; Y341-V618 WeakPolarHBondContact OH-CG1 3.36Å
342	V	97.3	Very high	97.1	Very high	21 Å²	21	30.6 Å²	30.6	13%	0.127	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	124	169.6	-178.5	0	0	0	0	107.7	W340 L565 L838	W340-V342 HydrophobicContact CE3-CG2 4.15Å; W340-V342 HydrophobicContact CZ3-CG2 4.06Å; V342-L565 HydrophobicContact CG2-CG 4.36Å; V342-L838 HydrophobicContact CG2-CD1 3.85Å
343	N	97.5	Very high	97.1	Very high	6 Å²	6	31.3 Å²	31.3	3%	0.032	16%	0.157	C	C	.	.	S	Bend	trans	65.1	170.9	-170.8	-45.2	-41.4	0	0	0	114.9	D473 Y477 R563 D564	N343-D473 WeakPolarHBondContact CB-O 3.37Å; N343-Y477 PolarHBondContact ND2-OH 3.2Å; N343-Y477 WeakPolarHBondContact OD1-CE1 3.25Å; N343-Y477 PolarHBondContact OD1-OH 3.38Å; N343-R563 WeakPolarHBondContact OD1-CA 3.48Å; N343-D564 PolarHBondContact N-O 3.46Å
344	G	96.8	Very high	97.2	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-72.1	-32.3	-172.9	0	0	0	0	0	115.7	D346 Y347 F348 D473	G344-D346 PolarHBondContact O-N 3.37Å; G344-Y347 PolarHBondContact O-N 3.35Å; G344-F348 WeakPolarHBondContact O-CB 3.31Å; G344-F348 WeakPolarHBondContact O-CD2 3.3Å; G344-F348 WeakPolarHBondContact O-CG 3.28Å; G344-F348 PolarHBondContact O-N 2.94Å; G344-D473 PolarHBondContact N-O 2.89Å
345	K	97.2	Very high	97.3	Very high	80 Å²	80	25.4 Å²	25.4	35%	0.348	13%	0.13	S	C	.	.	H	α-helix	trans	-51.5	-56.4	-167.6	175.2	172.6	175.4	176.8	0	114.5	A349 W472 D473 D474	K345-A349 WeakPolarHBondContact O-CB 3.46Å; K345-A349 PolarHBondContact O-N 3.01Å; K345-A349 VanDerWaalsContact O-N 3.12Å; K345-W472 HydrophobicContact CB-CZ2 3.95Å; K345-W472 HydrophobicContact CD-CH2 4.34Å; K345-W472 HydrophobicContact CD-CZ2 3.99Å; K345-W472 HydrophobicContact CG-CZ2 3.8Å; K345-D473 WeakPolarHBondContact CB-O 3.31Å; K345-D473 PolarHBondContact N-O 3.26Å; K345-D474 HydrophobicContact CB-CB 3.93Å; K345-D474 HydrophobicContact CD-CB 3.39Å; K345-D474 HydrophobicContact CG-CB 4.34Å; K345-D474 IonicContact NZ-OD2 2.7Å; K345-D474 PolarHBondContact NZ-OD2 3.03Å
346	D	97.1	Very high	97.4	Very high	91 Å²	91	22.1 Å²	22.1	49%	0.487	11%	0.112	S	C	.	.	H	α-helix	trans	-79.9	-30.6	-174.6	-58.1	-31.4	0	0	0	111.5	Y341 G344 A349 D350	Y341-D346 HydrophobicContact CD1-CB 4.19Å; G344-D346 PolarHBondContact O-N 3.37Å; D346-A349 PolarHBondContact O-N 3.43Å; D346-D350 PolarHBondContact O-N 2.99Å
347	Y	98.2	Very high	97.4	Very high	1 Å²	1	25.8 Å²	25.8	0%	0.004	13%	0.128	C	C	.	.	H	α-helix	trans	-59.7	-52.6	172	170	-96.1	0	0	0	111.8	Y341 G344 A349 L351 F461 L465	Y341-Y347 AromaticContact CD2-CD2 3.96Å; Y341-Y347 HydrophobicContact CD2-CD2 3.96Å; Y341-Y347 HydrophobicContact CE2-CD2 4.23Å; Y341-Y347 HydrophobicContact CG-CD2 4.34Å; G344-Y347 PolarHBondContact O-N 3.35Å; Y347-A349 VanDerWaalsContact C-N 3.31Å; Y347-A349 PolarHBondContact O-N 2.96Å; Y347-L351 HydrophobicContact CE1-CD2 4.25Å; Y347-L351 WeakPolarHBondContact O-CB 3.36Å; Y347-L351 PolarHBondContact O-N 2.88Å; Y347-F461 AromaticContact CD2-CD1 3.98Å; Y347-F461 HydrophobicContact CD2-CD1 3.98Å; Y347-F461 HydrophobicContact CE2-CB 3.91Å; Y347-F461 AromaticContact CE2-CD1 3.76Å; Y347-F461 HydrophobicContact CE2-CD1 3.76Å; Y347-F461 HydrophobicContact CE2-CG 4.31Å; Y347-L465 HydrophobicContact CD1-CB 4.03Å; Y347-L465 HydrophobicContact CD1-CD1 3.42Å; Y347-L465 VanDerWaalsContact CD1-CD1 3.42Å; Y347-L465 HydrophobicContact CD1-CG 4.36Å; Y347-L465 HydrophobicContact CD2-CD1 4.22Å; Y347-L465 HydrophobicContact CE1-CB 3.68Å; Y347-L465 HydrophobicContact CE1-CD1 3.96Å; Y347-L465 HydrophobicContact CE1-CG 4.48Å; Y347-L465 HydrophobicContact CG-CD1 3.56Å
348	F	98.4	Very high	97.3	Very high	4 Å²	4	24.1 Å²	24.1	2%	0.018	12%	0.12	C	C	.	.	H	α-helix	trans	-68.6	-31.7	179.3	-67.9	-56.6	0	0	0	111.8	G344 L351 A352 L375 L465 L467 R471 W472	G344-F348 WeakPolarHBondContact O-CB 3.31Å; G344-F348 WeakPolarHBondContact O-CD2 3.3Å; G344-F348 WeakPolarHBondContact O-CG 3.28Å; G344-F348 PolarHBondContact O-N 2.94Å; F348-L351 HydrophobicContact CD1-CD2 4.44Å; F348-A352 VanDerWaalsContact O-CB 3.31Å; F348-A352 WeakPolarHBondContact O-CB 3.48Å; F348-A352 PolarHBondContact O-N 2.63Å; F348-L375 CarbonylContact C-O 3.6Å; F348-L375 HydrophobicContact CB-CB 4.16Å; F348-L375 HydrophobicContact CB-CD2 4.31Å; F348-L375 VanDerWaalsContact CB-O 3.28Å; F348-L375 WeakPolarHBondContact CB-O 3.28Å; F348-L375 HydrophobicContact CD1-CD2 3.8Å; F348-L375 HydrophobicContact CG-CD2 4.31Å; F348-L465 HydrophobicContact CE2-CD2 4.41Å; F348-L465 HydrophobicContact CZ-CB 4.42Å; F348-L465 HydrophobicContact CZ-CD2 4.43Å; F348-L467 HydrophobicContact CD1-CD2 4.38Å; F348-L467 HydrophobicContact CE1-CD2 3.86Å; F348-R471 HydrophobicContact CE2-CB 4.09Å; F348-R471 HydrophobicContact CZ-CB 3.89Å; F348-W472 HydrophobicContact CD2-CB 4.16Å; F348-W472 AromaticContact CD2-CD1 3.65Å; F348-W472 HydrophobicContact CD2-CG 4.25Å; F348-W472 HydrophobicContact CE2-CB 4.13Å
349	A	97.8	Very high	97	Very high	22 Å²	22	29.5 Å²	29.5	18%	0.182	14%	0.143	C	C	.	.	H	α-helix	trans	-64.9	-52.5	175.5	0	0	0	0	0	112.6	K345 D346 Y347 L351 A352 D353 K376	K345-A349 WeakPolarHBondContact O-CB 3.46Å; K345-A349 PolarHBondContact O-N 3.01Å; K345-A349 VanDerWaalsContact O-N 3.12Å; D346-A349 PolarHBondContact O-N 3.43Å; Y347-A349 VanDerWaalsContact C-N 3.31Å; Y347-A349 PolarHBondContact O-N 2.96Å; A349-L351 VanDerWaalsContact C-N 3.35Å; A349-A352 PolarHBondContact O-N 3.01Å; A349-D353 PolarHBondContact O-N 3.33Å; A349-K376 HydrophobicContact CB-CG 4.21Å; A349-K376 WeakPolarHBondContact O-CE 3.33Å
350	D	98.1	Very high	96.7	Very high	18 Å²	18	28.8 Å²	28.8	10%	0.096	14%	0.141	C	C	.	.	H	α-helix	trans	-68.3	-35.1	179.1	-77.2	-6	0	0	0	111.8	K339 Y341 D346 A352 D353 A354 F461 V618	K339-D350 IonicContact NZ-OD2 2.67Å; K339-D350 PolarHBondContact NZ-OD2 3.35Å; Y341-D350 HydrophobicContact CE1-CB 4.15Å; Y341-D350 WeakPolarHBondContact CE1-OD2 3.41Å; Y341-D350 WeakPolarHBondContact OH-CB 3.21Å; Y341-D350 PolarHBondContact OH-OD2 3.48Å; D346-D350 PolarHBondContact O-N 2.99Å; D350-A352 VanDerWaalsContact C-N 3.33Å; D350-A352 PolarHBondContact O-N 2.85Å; D350-D353 PolarHBondContact O-N 3.01Å; D350-A354 WeakPolarHBondContact O-CB 3.25Å; D350-A354 PolarHBondContact O-N 2.94Å; D350-F461 HydrophobicContact CB-CE1 4.36Å; D350-V618 HydrophobicContact CB-CG1 4.3Å; D350-V618 WeakPolarHBondContact OD2-CG1 3.44Å
351	L	98.1	Very high	96.6	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-60.8	-41.6	172.2	176.6	62.4	0	0	0	111.7	Y347 F348 A349 D353 A354 L355 V453 I455 F461 L467	Y347-L351 HydrophobicContact CE1-CD2 4.25Å; Y347-L351 WeakPolarHBondContact O-CB 3.36Å; Y347-L351 PolarHBondContact O-N 2.88Å; F348-L351 HydrophobicContact CD1-CD2 4.44Å; A349-L351 VanDerWaalsContact C-N 3.35Å; L351-D353 VanDerWaalsContact C-N 3.35Å; L351-D353 PolarHBondContact O-N 2.62Å; L351-A354 PolarHBondContact O-N 3.12Å; L351-L355 HydrophobicContact CD1-CD1 4.13Å; L351-L355 HydrophobicContact CD1-CG 4.09Å; L351-L355 HydrophobicContact CG-CD1 3.93Å; L351-L355 HydrophobicContact CG-CG 4.35Å; L351-L355 WeakPolarHBondContact O-CB 3.35Å; L351-L355 WeakPolarHBondContact O-CG 3.5Å; L351-L355 PolarHBondContact O-N 2.86Å; L351-V453 HydrophobicContact CD1-CB 3.85Å; L351-V453 HydrophobicContact CD1-CG1 3.83Å; L351-V453 HydrophobicContact CD1-CG2 4.15Å; L351-V453 HydrophobicContact CD2-CG2 4.26Å; L351-I455 HydrophobicContact CD1-CD1 4.28Å; L351-F461 HydrophobicContact CB-CD1 4.28Å; L351-F461 HydrophobicContact CB-CE1 3.96Å; L351-F461 HydrophobicContact CB-CZ 4.13Å; L351-F461 HydrophobicContact CD1-CD1 4.42Å; L351-F461 HydrophobicContact CD1-CD2 3.72Å; L351-F461 HydrophobicContact CD1-CE2 3.89Å; L351-F461 HydrophobicContact CD1-CG 4.03Å; L351-F461 HydrophobicContact CD1-CZ 4.3Å; L351-L467 HydrophobicContact CD2-CD2 3.7Å
352	A	97.7	Very high	96.6	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-65.4	-36.6	179.9	0	0	0	0	0	112.9	F348 A349 D350 E356 L375 K376 W384 I389	F348-A352 VanDerWaalsContact O-CB 3.31Å; F348-A352 WeakPolarHBondContact O-CB 3.48Å; F348-A352 PolarHBondContact O-N 2.63Å; A349-A352 PolarHBondContact O-N 3.01Å; D350-A352 VanDerWaalsContact C-N 3.33Å; D350-A352 PolarHBondContact O-N 2.85Å; A352-E356 PolarHBondContact O-N 3.23Å; A352-L375 HydrophobicContact CB-CB 3.79Å; A352-L375 HydrophobicContact CB-CD1 3.78Å; A352-L375 HydrophobicContact CB-CG 4.45Å; A352-K376 HydrophobicContact CB-CD 4.5Å; A352-K376 HydrophobicContact CB-CG 4.32Å; A352-W384 HydrophobicContact CB-CE3 3.85Å; A352-W384 HydrophobicContact CB-CZ3 4.05Å; A352-I389 HydrophobicContact CB-CD1 4.33Å
353	D	97.2	Very high	96.7	Very high	55 Å²	55	25.4 Å²	25.4	29%	0.294	13%	0.125	S	C	.	.	H	α-helix	trans	-72.1	-42.9	175	-68.3	-29.4	0	0	0	111.4	A349 D350 L351 L355 E356 E357 K376 W384 F616	A349-D353 PolarHBondContact O-N 3.33Å; D350-D353 PolarHBondContact O-N 3.01Å; L351-D353 VanDerWaalsContact C-N 3.35Å; L351-D353 PolarHBondContact O-N 2.62Å; D353-L355 VanDerWaalsContact C-N 3.29Å; D353-L355 PolarHBondContact O-N 2.85Å; D353-E356 PolarHBondContact O-N 2.89Å; D353-E356 VanDerWaalsContact O-N 3.15Å; D353-E357 PolarHBondContact O-N 2.75Å; D353-K376 IonicContact OD1-NZ 2.84Å; D353-K376 PolarHBondContact OD1-NZ 3.47Å; D353-K376 IonicContact OD2-NZ 3.44Å; D353-K376 PolarHBondContact OD2-NZ 3.4Å; D353-W384 VanDerWaalsContact OD1-CH2 3.32Å; D353-W384 WeakPolarHBondContact OD1-CH2 3.43Å; D353-F616 HydrophobicContact CB-CZ 4.45Å
354	A	97	Very high	96.7	Very high	2 Å²	2	25.1 Å²	25.1	2%	0.017	12%	0.124	C	C	.	.	H	α-helix	trans	-58.8	-40.5	174.1	0	0	0	0	0	112	D350 L351 E357 A358 I455 F461 F616	D350-A354 WeakPolarHBondContact O-CB 3.25Å; D350-A354 PolarHBondContact O-N 2.94Å; L351-A354 PolarHBondContact O-N 3.12Å; A354-E357 PolarHBondContact O-N 2.64Å; A354-A358 PolarHBondContact O-N 2.76Å; A354-I455 HydrophobicContact CB-CD1 3.58Å; A354-F461 HydrophobicContact CB-CE2 3.87Å; A354-F461 HydrophobicContact CB-CZ 4.09Å; A354-F616 HydrophobicContact CB-CD1 4.1Å; A354-F616 HydrophobicContact CB-CE1 3.67Å; A354-F616 HydrophobicContact CB-CZ 4.31Å
355	L	97.4	Very high	96.8	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-66	-40.5	174.9	-72.9	169.2	0	0	0	112	L351 D353 E357 A358 I362 L375 L386 I389 L390 K393 V453 I455	L351-L355 HydrophobicContact CD1-CD1 4.13Å; L351-L355 HydrophobicContact CD1-CG 4.09Å; L351-L355 HydrophobicContact CG-CD1 3.93Å; L351-L355 HydrophobicContact CG-CG 4.35Å; L351-L355 WeakPolarHBondContact O-CB 3.35Å; L351-L355 WeakPolarHBondContact O-CG 3.5Å; L351-L355 PolarHBondContact O-N 2.86Å; D353-L355 VanDerWaalsContact C-N 3.29Å; D353-L355 PolarHBondContact O-N 2.85Å; L355-E357 VanDerWaalsContact C-N 3.26Å; L355-E357 PolarHBondContact O-N 2.82Å; L355-A358 PolarHBondContact O-N 3.34Å; L355-I362 HydrophobicContact CD2-CD1 3.88Å; L355-I362 HydrophobicContact CD2-CG1 4.24Å; L355-I362 HydrophobicContact CD2-CG2 3.63Å; L355-L375 HydrophobicContact CD1-CD1 4.02Å; L355-L386 HydrophobicContact CD1-CD1 4.27Å; L355-I389 HydrophobicContact CB-CG2 3.74Å; L355-L390 HydrophobicContact CD2-CD2 4.31Å; L355-K393 WeakPolarHBondContact O-CD 3.4Å; L355-K393 WeakPolarHBondContact O-CE 3.38Å; L355-K393 WeakPolarHBondContact O-CG 3.36Å; L355-V453 HydrophobicContact CD2-CG1 4.21Å; L355-I455 HydrophobicContact CD2-CD1 3.95Å; L355-I455 HydrophobicContact CD2-CG1 4.22Å; L355-I455 HydrophobicContact CG-CD1 4.1Å
356	E	95.6	Very high	96.8	Very high	23 Å²	23	21.4 Å²	21.4	11%	0.107	11%	0.108	C	C	.	.	H	α-helix	trans	-70.4	-20.4	176.6	-168.6	62.1	-110	0	0	112.7	A352 D353 R392 K393 K396	A352-E356 PolarHBondContact O-N 3.23Å; D353-E356 PolarHBondContact O-N 2.89Å; D353-E356 VanDerWaalsContact O-N 3.15Å; E356-R392 IonicContact OE2-CZ 3.49Å; E356-R392 IonicContact OE2-NE 3.64Å; E356-R392 PolarHBondContact OE2-NE 3.1Å; E356-R392 VanDerWaalsContact OE2-NE 3.1Å; E356-R392 IonicContact OE2-NH2 2.73Å; E356-R392 PolarHBondContact OE2-NH2 3Å; E356-K393 PolarHBondContact O-NZ 3.24Å; E356-K396 IonicContact OE1-NZ 2.81Å; E356-K396 PolarHBondContact OE1-NZ 3.05Å
357	E	95.7	Very high	96.8	Very high	87 Å²	87	19.6 Å²	19.6	41%	0.407	10%	0.095	S	C	.	.	H	α-helix	trans	-86.4	-17.3	172.9	-84.4	-56.8	125.5	0	0	115.7	D353 A354 L355 K359 F616	D353-E357 PolarHBondContact O-N 2.75Å; A354-E357 PolarHBondContact O-N 2.64Å; L355-E357 VanDerWaalsContact C-N 3.26Å; L355-E357 PolarHBondContact O-N 2.82Å; E357-K359 VanDerWaalsContact O-CE 3.25Å; E357-K359 WeakPolarHBondContact O-CE 3.1Å; E357-K359 WeakPolarHBondContact O-CG 3.46Å; E357-K359 PolarHBondContact O-N 3Å; E357-K359 IonicContact OE2-NZ 3.32Å; E357-K359 PolarHBondContact OE2-NZ 3.4Å; E357-F616 HydrophobicContact CB-CD2 4.24Å; E357-F616 HydrophobicContact CB-CG 4.5Å; E357-F616 HydrophobicContact CG-CD2 3.96Å; E357-F616 HydrophobicContact CG-CE2 4.43Å
358	A	95.1	Very high	96.7	Very high	2 Å²	2	20 Å²	20	2%	0.017	10%	0.096	C	C	.	.			trans	-52.9	134.6	-175.5	0	0	0	0	0	114.3	A354 L355 I362 K393 V398 I455	A354-A358 PolarHBondContact O-N 2.76Å; L355-A358 PolarHBondContact O-N 3.34Å; A358-I362 HydrophobicContact CB-CD1 3.84Å; A358-I362 HydrophobicContact CB-CG1 3.75Å; A358-K393 WeakPolarHBondContact O-CE 3.27Å; A358-K393 PolarHBondContact O-NZ 3.26Å; A358-V398 WeakPolarHBondContact O-CG2 3.49Å; A358-I455 HydrophobicContact CB-CG2 3.59Å
359	K	91.5	Very high	96.6	Very high	113 Å²	113	19.8 Å²	19.8	49%	0.491	10%	0.095	S	C	.	.	S	Bend	trans	-114.6	-15.9	-171.7	-78.1	146.2	-165.4	157.6	0	114.3	E357 D456	E357-K359 VanDerWaalsContact O-CE 3.25Å; E357-K359 WeakPolarHBondContact O-CE 3.1Å; E357-K359 WeakPolarHBondContact O-CG 3.46Å; E357-K359 PolarHBondContact O-N 3Å; E357-K359 IonicContact OE2-NZ 3.32Å; E357-K359 PolarHBondContact OE2-NZ 3.4Å; K359-D456 PolarHBondContact N-OD1 3.05Å; K359-D456 PolarHBondContact N-OD2 3.09Å
360	Q	91.4	Very high	96.6	Very high	27 Å²	27	18.9 Å²	18.9	13%	0.126	9%	0.088	C	C	.	.	S	Bend	trans	-141.3	-53.6	-172.2	-49.3	-176.4	-5.5	0	0	113.5	T50 E203 K399 D456	T50-Q360 HydrophobicContact CG2-CB 4.16Å; T50-Q360 HydrophobicContact CG2-CG 3.86Å; E203-Q360 PolarHBondContact OE1-NE2 2.75Å; E203-Q360 PolarHBondContact OE2-NE2 2.62Å; E203-Q360 PolarHBondContact OE2-OE1 2.76Å; Q360-K399 PolarHBondContact O-N 2.92Å; Q360-D456 WeakPolarHBondContact CA-OD1 3.24Å; Q360-D456 WeakPolarHBondContact CB-OD1 3.35Å; Q360-D456 PolarHBondContact N-OD1 2.92Å
361	E	95.6	Very high	96.5	Very high	1 Å²	1	18 Å²	18	1%	0.005	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	138.7	-170	-64.2	-168.4	136	0	0	113	F49 H53 F363 K399 D456 Q457	F49-E361 HydrophobicContact CE1-CG 4.34Å; F49-E361 WeakPolarHBondContact CE1-OE2 3.49Å; H53-E361 IonicContact CE1-OE1 2.95Å; H53-E361 PolarHBondContact CE1-OE1 2.72Å; H53-E361 IonicContact NE2-OE1 3.31Å; H53-E361 PolarHBondContact NE2-OE1 3.39Å; E361-F363 HydrophobicContact CB-CD1 4.45Å; E361-F363 HydrophobicContact CB-CE1 3.87Å; E361-F363 HydrophobicContact CB-CZ 4.16Å; E361-F363 HydrophobicContact CG-CE1 4.26Å; E361-F363 HydrophobicContact CG-CZ 4.41Å; E361-F363 WeakPolarHBondContact OE2-CZ 3.32Å; E361-K399 WeakPolarHBondContact CA-O 3.5Å; E361-D456 PolarHBondContact N-OD1 3.47Å; E361-D456 PolarHBondContact O-N 2.94Å; E361-Q457 PolarHBondContact OE2-NE2 2.87Å
362	I	98.3	Very high	96.3	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	119.6	169.8	-61.1	168.7	0	0	0	107.7	L355 A358 I364 L390 K393 V398 K399 V400 C401 V453	L355-I362 HydrophobicContact CD2-CD1 3.88Å; L355-I362 HydrophobicContact CD2-CG1 4.24Å; L355-I362 HydrophobicContact CD2-CG2 3.63Å; A358-I362 HydrophobicContact CB-CD1 3.84Å; A358-I362 HydrophobicContact CB-CG1 3.75Å; I362-I364 HydrophobicContact CG2-CD1 4.15Å; I362-I364 HydrophobicContact CG2-CG1 4.04Å; I362-L390 HydrophobicContact CD1-CD2 4.13Å; I362-L390 HydrophobicContact CG2-CD2 4.11Å; I362-K393 HydrophobicContact CD1-CB 4.09Å; I362-K393 HydrophobicContact CD1-CG 4.31Å; I362-V398 HydrophobicContact CD1-CG1 3.9Å; I362-V398 HydrophobicContact CG1-CG1 3.81Å; I362-K399 PolarHBondContact N-O 3.37Å; I362-V400 HydrophobicContact CB-CG1 4.41Å; I362-V400 HydrophobicContact CB-CG2 4.34Å; I362-V400 HydrophobicContact CD1-CG2 4.33Å; I362-V400 HydrophobicContact CG2-CG1 4.46Å; I362-V400 CarbonylContact O-C 3.52Å; I362-V400 WeakPolarHBondContact O-CA 3.41Å; I362-C401 PolarHBondContact O-N 2.82Å; I362-V453 HydrophobicContact CG2-CG1 4.38Å
363	F	98.7	Very high	96.2	Very high	1 Å²	1	18.8 Å²	18.8	0%	0.004	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	130.4	178.3	-60.2	-21	0	0	0	109.9	E361 C401 M452 V453 A454 Q457 A578 F581 I582 L603	E361-F363 HydrophobicContact CB-CD1 4.45Å; E361-F363 HydrophobicContact CB-CE1 3.87Å; E361-F363 HydrophobicContact CB-CZ 4.16Å; E361-F363 HydrophobicContact CG-CE1 4.26Å; E361-F363 HydrophobicContact CG-CZ 4.41Å; E361-F363 WeakPolarHBondContact OE2-CZ 3.32Å; F363-C401 WeakPolarHBondContact CA-O 3.43Å; F363-C401 HydrophobicContact CD1-CB 4.03Å; F363-C401 HydrophobicContact CE1-CB 4.44Å; F363-M452 HydrophobicContact CB-CE 3.89Å; F363-M452 WeakPolarHBondContact O-CE 3.06Å; F363-V453 CarbonylContact O-C 3.54Å; F363-V453 VanDerWaalsContact O-CA 3.3Å; F363-V453 WeakPolarHBondContact O-CA 3.47Å; F363-A454 HydrophobicContact CB-CB 4.3Å; F363-A454 HydrophobicContact CD2-CB 4.48Å; F363-A454 PolarHBondContact N-O 3.38Å; F363-A454 PolarHBondContact O-N 3.14Å; F363-Q457 HydrophobicContact CE2-CG 3.9Å; F363-Q457 HydrophobicContact CZ-CG 4.48Å; F363-A578 HydrophobicContact CD2-CB 4.28Å; F363-A578 HydrophobicContact CE2-CB 4.35Å; F363-F581 HydrophobicContact CB-CD1 3.49Å; F363-F581 VanDerWaalsContact CB-CD1 3.49Å; F363-F581 HydrophobicContact CB-CD2 4.23Å; F363-F581 HydrophobicContact CB-CE1 3.59Å; F363-F581 HydrophobicContact CB-CE2 4.29Å; F363-F581 HydrophobicContact CB-CG 3.82Å; F363-F581 HydrophobicContact CB-CZ 4Å; F363-F581 AromaticContact CD1-CD1 3.84Å; F363-F581 HydrophobicContact CD1-CD1 3.84Å; F363-F581 AromaticContact CD1-CE1 3.51Å; F363-F581 HydrophobicContact CD1-CE1 3.51Å; F363-F581 HydrophobicContact CD1-CZ 4.39Å; F363-F581 HydrophobicContact CD2-CB 4.42Å; F363-F581 AromaticContact CD2-CD1 3.47Å; F363-F581 HydrophobicContact CD2-CD1 3.47Å; F363-F581 VanDerWaalsContact CD2-CD1 3.47Å; F363-F581 HydrophobicContact CD2-CE1 4.05Å; F363-F581 HydrophobicContact CD2-CG 4.19Å; F363-F581 HydrophobicContact CE1-CD1 4.42Å; F363-F581 HydrophobicContact CE1-CE1 4.17Å; F363-F581 HydrophobicContact CE2-CD1 4.1Å; F363-F581 AromaticContact CG-CD1 3.32Å; F363-F581 HydrophobicContact CG-CD1 3.32Å; F363-F581 AromaticContact CG-CE1 3.44Å; F363-F581 HydrophobicContact CG-CE1 3.44Å; F363-F581 VanDerWaalsContact CG-CE1 3.44Å; F363-F581 HydrophobicContact CG-CG 4.11Å; F363-F581 HydrophobicContact CG-CZ 4.31Å; F363-I582 HydrophobicContact CE2-CD1 3.91Å; F363-I582 HydrophobicContact CE2-CG1 3.84Å; F363-I582 HydrophobicContact CZ-CD1 4.46Å; F363-I582 HydrophobicContact CZ-CG1 4.28Å; F363-L603 HydrophobicContact CD1-CD1 4.32Å; F363-L603 HydrophobicContact CE1-CD1 3.76Å; F363-L603 HydrophobicContact CE1-CD2 4.16Å; F363-L603 HydrophobicContact CZ-CD1 4.01Å; F363-L603 HydrophobicContact CZ-CD2 4.41Å
364	I	98.7	Very high	96.2	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	132.5	-177.1	-58.5	175.8	0	0	0	110.2	I362 D366 L369 L390 C401 V402 L403 M452 V453 L467 F581	I362-I364 HydrophobicContact CG2-CD1 4.15Å; I362-I364 HydrophobicContact CG2-CG1 4.04Å; I364-D366 WeakPolarHBondContact CG2-OD2 3.43Å; I364-L369 HydrophobicContact CG2-CD1 4.09Å; I364-L390 HydrophobicContact CD1-CD1 4.02Å; I364-L390 HydrophobicContact CD1-CD2 4.17Å; I364-C401 PolarHBondContact N-O 3.31Å; I364-V402 HydrophobicContact CB-CB 4.47Å; I364-V402 HydrophobicContact CB-CG1 4.12Å; I364-V402 HydrophobicContact CB-CG2 4.21Å; I364-V402 HydrophobicContact CD1-CG2 4.31Å; I364-V402 HydrophobicContact CG2-CG1 4.18Å; I364-V402 CarbonylContact O-C 3.55Å; I364-V402 WeakPolarHBondContact O-CA 3.37Å; I364-L403 PolarHBondContact O-N 2.76Å; I364-M452 WeakPolarHBondContact CA-O 3.38Å; I364-V453 HydrophobicContact CG1-CG1 4.08Å; I364-V453 HydrophobicContact CG1-CG2 4.27Å; I364-V453 HydrophobicContact CG2-CG2 4.45Å; I364-L467 HydrophobicContact CD1-CD1 4.23Å; I364-L467 HydrophobicContact CG2-CD1 3.96Å; I364-F581 WeakPolarHBondContact O-CE2 3.37Å
365	T	98.4	Very high	96.2	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.006	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	136.4	158.9	65.4	0	0	0	0	109.8	L403 E450 K451 M452 F581 R584	T365-L403 WeakPolarHBondContact CA-O 3.31Å; T365-L403 HydrophobicContact CG2-CB 4.04Å; T365-E450 CarbonylContact C-O 3.56Å; T365-E450 WeakPolarHBondContact CB-O 3.21Å; T365-E450 HydrophobicContact CG2-CG 4.42Å; T365-E450 WeakPolarHBondContact OG1-CG 3.42Å; T365-E450 PolarHBondContact OG1-O 3.47Å; T365-K451 WeakPolarHBondContact O-CA 3.02Å; T365-M452 HydrophobicContact CG2-CE 3.99Å; T365-M452 HydrophobicContact CG2-CG 4.32Å; T365-M452 PolarHBondContact N-O 3.01Å; T365-M452 PolarHBondContact O-N 2.71Å; T365-M452 VanDerWaalsContact OG1-CG 3.3Å; T365-M452 WeakPolarHBondContact OG1-CG 3.4Å; T365-M452 PolarHBondContact OG1-N 2.89Å; T365-F581 HydrophobicContact CG2-CD2 3.67Å; T365-F581 HydrophobicContact CG2-CE2 4.04Å; T365-R584 VanDerWaalsContact CG2-NH1 3.33Å
366	D	97.9	Very high	96.1	Very high	2 Å²	2	19 Å²	19	1%	0.011	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	150.1	172.5	-73.8	-69.7	0	0	0	109.6	I364 W368 L369 L403 L404 Y405 D466 L467	I364-D366 WeakPolarHBondContact CG2-OD2 3.43Å; D366-W368 WeakPolarHBondContact CB-O 3.38Å; D366-L369 HydrophobicContact CB-CB 4.05Å; D366-L369 WeakPolarHBondContact OD2-CD1 3.03Å; D366-L403 PolarHBondContact N-O 3.3Å; D366-L404 HydrophobicContact CB-CD2 4.17Å; D366-Y405 PolarHBondContact O-N 2.98Å; D366-D466 WeakPolarHBondContact OD1-CA 3.43Å; D366-L467 PolarHBondContact OD1-N 2.83Å
367	W	96.3	Very high	96	Very high	53 Å²	53	20 Å²	20	20%	0.201	9%	0.087	C	C	.	.	S	Bend	trans	-72.8	-38.4	163.4	178.4	83.8	0	0	0	110.1	Y405 L412 I414 H449 D466	W367-Y405 AromaticContact CD1-CD1 3.65Å; W367-Y405 HydrophobicContact CG-CD1 4.39Å; W367-Y405 AromaticContact NE1-CD1 3.52Å; W367-Y405 AromaticContact NE1-CE1 3.7Å; W367-L412 HydrophobicContact CH2-CD2 4.48Å; W367-L412 HydrophobicContact CZ2-CD1 3.99Å; W367-L412 HydrophobicContact CZ2-CD2 4.25Å; W367-I414 HydrophobicContact CE3-CG2 4.43Å; W367-I414 HydrophobicContact CH2-CG2 3.66Å; W367-I414 HydrophobicContact CZ2-CG2 4.39Å; W367-I414 HydrophobicContact CZ3-CG2 3.68Å; W367-I414 WeakPolarHBondContact O-CD1 3.21Å; W367-H449 AromaticContact CD1-CD2 3.95Å; W367-D466 WeakPolarHBondContact CB-OD1 3.37Å; W367-D466 PolarHBondContact N-OD1 3.15Å; W367-D466 VanDerWaalsContact N-OD1 3.1Å
368	W	95.9	Very high	95.9	Very high	8 Å²	8	18.9 Å²	18.9	3%	0.03	9%	0.088	C	C	.	.	S	Bend	trans	-140.8	133.3	171.4	179	31.5	0	0	0	110.2	D366 S370 I414 D466 A468 F469 W540 L543	D366-W368 WeakPolarHBondContact CB-O 3.38Å; W368-S370 WeakPolarHBondContact CZ2-OG 3.46Å; W368-I414 HydrophobicContact CB-CB 4.24Å; W368-I414 HydrophobicContact CB-CG2 4.07Å; W368-I414 HydrophobicContact CD2-CB 4.29Å; W368-I414 HydrophobicContact CD2-CG2 4.09Å; W368-I414 HydrophobicContact CG-CB 3.81Å; W368-I414 HydrophobicContact CG-CG2 3.87Å; W368-I414 PolarHBondContact NE1-O 3.48Å; W368-D466 WeakPolarHBondContact O-CB 3.43Å; W368-A468 HydrophobicContact CB-CB 4.31Å; W368-A468 HydrophobicContact CD2-CB 3.75Å; W368-A468 HydrophobicContact CE3-CB 3.59Å; W368-A468 HydrophobicContact CG-CB 4.09Å; W368-A468 HydrophobicContact CZ3-CB 4.16Å; W368-A468 WeakPolarHBondContact O-CB 3.28Å; W368-F469 HydrophobicContact CH2-CB 3.96Å; W368-F469 HydrophobicContact CH2-CD2 4.09Å; W368-F469 AromaticContact CZ2-CD2 3.95Å; W368-F469 HydrophobicContact CZ2-CD2 3.95Å; W368-W540 HydrophobicContact CH2-CB 4.23Å; W368-W540 AromaticContact CH2-CD1 3.97Å; W368-W540 AromaticContact CH2-CD2 3.5Å; W368-W540 HydrophobicContact CH2-CD2 3.5Å; W368-W540 AromaticContact CH2-CE2 3.73Å; W368-W540 AromaticContact CH2-CE3 3.9Å; W368-W540 HydrophobicContact CH2-CE3 3.9Å; W368-W540 AromaticContact CH2-CG 3.66Å; W368-W540 HydrophobicContact CH2-CG 3.66Å; W368-W540 HydrophobicContact CH2-CZ2 4.28Å; W368-W540 HydrophobicContact CH2-CZ3 4.44Å; W368-W540 HydrophobicContact CZ2-CG 4.47Å; W368-W540 AromaticContact CZ3-CD2 3.81Å; W368-W540 HydrophobicContact CZ3-CD2 3.81Å; W368-W540 AromaticContact CZ3-CE2 3.98Å; W368-W540 AromaticContact CZ3-CE3 3.76Å; W368-W540 HydrophobicContact CZ3-CE3 3.76Å; W368-W540 HydrophobicContact CZ3-CG 4.43Å; W368-W540 HydrophobicContact CZ3-CH2 4.05Å; W368-W540 HydrophobicContact CZ3-CZ2 4.1Å; W368-W540 AromaticContact CZ3-CZ3 3.9Å; W368-W540 HydrophobicContact CZ3-CZ3 3.9Å; W368-L543 HydrophobicContact CH2-CD2 4.41Å; W368-L543 HydrophobicContact CZ2-CD1 3.65Å; W368-L543 HydrophobicContact CZ2-CD2 3.79Å; W368-L543 HydrophobicContact CZ2-CG 4.4Å
369	L	97.1	Very high	95.6	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.005	9%	0.089	C	C	.	.			trans	-123.1	124.6	175.8	-171	168.6	0	0	0	108.7	I364 D366 P371 L386 V402 L404 S419 L423 L467	I364-L369 HydrophobicContact CG2-CD1 4.09Å; D366-L369 HydrophobicContact CB-CB 4.05Å; D366-L369 WeakPolarHBondContact OD2-CD1 3.03Å; L369-P371 HydrophobicContact CD2-CB 4.34Å; L369-P371 HydrophobicContact CD2-CG 4.01Å; L369-L386 HydrophobicContact CD2-CD2 4.03Å; L369-L386 HydrophobicContact CG-CD2 4.34Å; L369-V402 HydrophobicContact CD1-CG1 3.86Å; L369-L404 HydrophobicContact CB-CD2 3.54Å; L369-L404 HydrophobicContact CD1-CD2 3.94Å; L369-L404 HydrophobicContact CG-CD2 4.4Å; L369-S419 VanDerWaalsContact O-CB 3.25Å; L369-S419 WeakPolarHBondContact O-CB 3.16Å; L369-S419 PolarHBondContact O-OG 2.73Å; L369-L423 HydrophobicContact CD1-CD1 4Å; L369-L423 HydrophobicContact CD2-CD1 3.99Å; L369-L467 WeakPolarHBondContact CA-O 3.35Å; L369-L467 HydrophobicContact CG-CB 4.19Å
370	S	96.4	Very high	95.5	Very high	3 Å²	3	17.9 Å²	17.9	2%	0.021	9%	0.092	C	C	.	.			trans	-104	102.2	174.4	-58.4	0	0	0	0	108.5	W368 E372 I373 L467 A468 F469	W368-S370 WeakPolarHBondContact CZ2-OG 3.46Å; S370-E372 PolarHBondContact O-N 3.22Å; S370-E372 VanDerWaalsContact O-N 3.09Å; S370-I373 WeakPolarHBondContact O-CG1 3.32Å; S370-I373 PolarHBondContact O-N 3.21Å; S370-L467 PolarHBondContact N-O 2.82Å; S370-A468 WeakPolarHBondContact OG-CA 3.49Å; S370-F469 VanDerWaalsContact OG-CD2 3.26Å; S370-F469 WeakPolarHBondContact OG-CD2 3.14Å; S370-F469 PolarHBondContact OG-N 3.24Å; S370-F469 VanDerWaalsContact OG-N 3.15Å
371	P	95.7	Very high	95.4	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-29.6	-168.2	-22.8	30.7	0	0	0	114.3	L369 I373 L386 D387 T422 L423	L369-P371 HydrophobicContact CD2-CB 4.34Å; L369-P371 HydrophobicContact CD2-CG 4.01Å; P371-I373 PolarHBondContact O-N 3.39Å; P371-L386 WeakPolarHBondContact O-CB 3.5Å; P371-D387 HydrophobicContact CB-CB 4.04Å; P371-D387 VanDerWaalsContact O-CB 3.26Å; P371-D387 WeakPolarHBondContact O-CB 3.25Å; P371-D387 PolarHBondContact O-N 2.97Å; P371-T422 HydrophobicContact CB-CG2 4.1Å; P371-T422 HydrophobicContact CG-CG2 4.24Å; P371-L423 HydrophobicContact CB-CD2 4.17Å; P371-L423 HydrophobicContact CB-CG 4.43Å; P371-L423 HydrophobicContact CG-CG 4.26Å
372	E	95.4	Very high	95.2	Very high	11 Å²	11	22.7 Å²	22.7	5%	0.051	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92	12.2	-169.3	-49.8	77.3	-162.8	0	0	113.6	S370 R385 Y418 P546 F547	S370-E372 PolarHBondContact O-N 3.22Å; S370-E372 VanDerWaalsContact O-N 3.09Å; E372-R385 VanDerWaalsContact O-CG 3.23Å; E372-R385 WeakPolarHBondContact O-CG 3.5Å; E372-Y418 WeakPolarHBondContact OE1-CE1 3.14Å; E372-Y418 PolarHBondContact OE1-OH 2.89Å; E372-P546 HydrophobicContact CB-CB 4.28Å; E372-P546 HydrophobicContact CB-CG 4.19Å; E372-P546 HydrophobicContact CG-CB 4.5Å; E372-P546 HydrophobicContact CG-CG 3.97Å; E372-F547 HydrophobicContact CB-CE2 4.07Å; E372-F547 HydrophobicContact CB-CZ 3.92Å
373	I	95.6	Very high	95	Very high	5 Å²	5	28.2 Å²	28.2	3%	0.026	14%	0.139	C	C	.	.			trans	-68.2	144.4	177.9	61.5	165.2	0	0	0	112.8	S370 P371 L375 R385 L386 L467 F469	S370-I373 WeakPolarHBondContact O-CG1 3.32Å; S370-I373 PolarHBondContact O-N 3.21Å; P371-I373 PolarHBondContact O-N 3.39Å; I373-L375 HydrophobicContact CD1-CD2 3.71Å; I373-L375 HydrophobicContact CG1-CD2 4.08Å; I373-R385 CarbonylContact O-C 3.58Å; I373-R385 WeakPolarHBondContact O-CA 3.49Å; I373-L386 HydrophobicContact CD1-CD2 4.27Å; I373-L386 HydrophobicContact CG1-CB 3.91Å; I373-L386 HydrophobicContact CG1-CD2 4.02Å; I373-L386 PolarHBondContact O-N 2.82Å; I373-L467 HydrophobicContact CD1-CB 4.2Å; I373-F469 HydrophobicContact CG2-CD1 3.59Å; I373-F469 HydrophobicContact CG2-CE1 3.7Å; I373-F469 HydrophobicContact CG2-CG 4.42Å
374	F	96.6	Very high	94.8	Very high	11 Å²	11	30.7 Å²	30.7	5%	0.048	15%	0.148	C	C	.	.	B	Isolated β-bridge	trans	-92	120.1	170.7	-68.2	-84	0	0	0	110.8	R377 A379 D381 R385 L520 L528 F547	F374-R377 HydrophobicContact CB-CG 4.32Å; F374-R377 PolarHBondContact O-NE 2.99Å; F374-A379 HydrophobicContact CB-CB 4.23Å; F374-A379 HydrophobicContact CD1-CB 3.48Å; F374-A379 VanDerWaalsContact CD1-CB 3.48Å; F374-A379 HydrophobicContact CD2-CB 4.01Å; F374-A379 HydrophobicContact CE1-CB 3.72Å; F374-A379 HydrophobicContact CE2-CB 4.23Å; F374-A379 HydrophobicContact CG-CB 3.63Å; F374-A379 HydrophobicContact CZ-CB 4.1Å; F374-D381 WeakPolarHBondContact CE1-O 3.43Å; F374-R385 HydrophobicContact CD1-CB 4.07Å; F374-R385 HydrophobicContact CD1-CG 4.13Å; F374-R385 HydrophobicContact CD2-CG 4.5Å; F374-R385 HydrophobicContact CE1-CB 3.83Å; F374-R385 HydrophobicContact CE1-CG 3.86Å; F374-R385 HydrophobicContact CE2-CG 4.24Å; F374-R385 HydrophobicContact CG-CG 4.45Å; F374-R385 HydrophobicContact CZ-CB 4.36Å; F374-R385 HydrophobicContact CZ-CG 3.91Å; F374-L520 HydrophobicContact CE1-CD1 4.14Å; F374-L520 HydrophobicContact CZ-CD1 3.76Å; F374-L528 HydrophobicContact CD2-CD1 4.2Å; F374-L528 HydrophobicContact CE2-CD1 3.88Å; F374-F547 AromaticContact CE2-CE1 3.92Å; F374-F547 HydrophobicContact CE2-CE1 3.92Å; F374-F547 AromaticContact CE2-CZ 3.75Å; F374-F547 HydrophobicContact CE2-CZ 3.75Å; F374-F547 HydrophobicContact CZ-CZ 4.42Å
375	L	97	Very high	94.7	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.005	15%	0.154	C	C	.	.	S	Bend	trans	-80.8	-32.4	-178.5	-56.7	-174.1	0	0	0	112.6	F348 A352 L355 I373 W384 L386 I389	F348-L375 CarbonylContact C-O 3.6Å; F348-L375 HydrophobicContact CB-CB 4.16Å; F348-L375 HydrophobicContact CB-CD2 4.31Å; F348-L375 VanDerWaalsContact CB-O 3.28Å; F348-L375 WeakPolarHBondContact CB-O 3.28Å; F348-L375 HydrophobicContact CD1-CD2 3.8Å; F348-L375 HydrophobicContact CG-CD2 4.31Å; A352-L375 HydrophobicContact CB-CB 3.79Å; A352-L375 HydrophobicContact CB-CD1 3.78Å; A352-L375 HydrophobicContact CB-CG 4.45Å; L355-L375 HydrophobicContact CD1-CD1 4.02Å; I373-L375 HydrophobicContact CD1-CD2 3.71Å; I373-L375 HydrophobicContact CG1-CD2 4.08Å; L375-W384 PolarHBondContact N-O 3.36Å; L375-L386 HydrophobicContact CD1-CD1 4.34Å; L375-L386 HydrophobicContact CD2-CB 4.45Å; L375-L386 HydrophobicContact CG-CB 4.49Å; L375-I389 HydrophobicContact CD1-CD1 3.7Å; L375-I389 HydrophobicContact CG-CD1 4.4Å
376	K	95.9	Very high	94.7	Very high	50 Å²	50	32.1 Å²	32.1	22%	0.217	15%	0.154	C	C	.	.	S	Bend	trans	-116.5	140.8	172.9	-66.8	-173.8	171.3	-176.4	0	110	A349 A352 D353 W384	A349-K376 HydrophobicContact CB-CG 4.21Å; A349-K376 WeakPolarHBondContact O-CE 3.33Å; A352-K376 HydrophobicContact CB-CD 4.5Å; A352-K376 HydrophobicContact CB-CG 4.32Å; D353-K376 IonicContact OD1-NZ 2.84Å; D353-K376 PolarHBondContact OD1-NZ 3.47Å; D353-K376 IonicContact OD2-NZ 3.44Å; D353-K376 PolarHBondContact OD2-NZ 3.4Å; K376-W384 HydrophobicContact CB-CB 3.94Å; K376-W384 HydrophobicContact CB-CD2 4.37Å; K376-W384 HydrophobicContact CB-CG 3.87Å; K376-W384 HydrophobicContact CD-CD2 3.85Å; K376-W384 HydrophobicContact CD-CE3 4.1Å; K376-W384 HydrophobicContact CD-CG 4.25Å; K376-W384 HydrophobicContact CD-CH2 4.39Å; K376-W384 HydrophobicContact CD-CZ2 4.2Å; K376-W384 HydrophobicContact CD-CZ3 4.36Å; K376-W384 HydrophobicContact CG-CD2 4.35Å; K376-W384 HydrophobicContact CG-CG 4.34Å
377	R	93.7	Very high	94.6	Very high	43 Å²	43	32.4 Å²	32.4	16%	0.162	16%	0.155	C	C	.	.	S	Bend	trans	-145.4	154.5	-166.4	-52.4	-163.3	-174	-174.4	-3	112.7	F374 W472 L526 D531	F374-R377 HydrophobicContact CB-CG 4.32Å; F374-R377 PolarHBondContact O-NE 2.99Å; R377-W472 HydrophobicContact CB-CH2 4.32Å; R377-W472 HydrophobicContact CB-CZ2 3.79Å; R377-W472 HydrophobicContact CG-CD2 4.31Å; R377-W472 HydrophobicContact CG-CZ2 4.13Å; R377-W472 VanDerWaalsContact CZ-CG 3.4Å; R377-W472 VanDerWaalsContact NH2-CB 3.3Å; R377-L526 HydrophobicContact CB-CD2 4.13Å; R377-L526 WeakPolarHBondContact CD-O 3.46Å; R377-L526 PolarHBondContact NH1-O 3.44Å; R377-D531 IonicContact CZ-OD2 3.56Å; R377-D531 IonicContact NH1-OD2 2.61Å; R377-D531 PolarHBondContact NH1-OD2 3.49Å; R377-D531 IonicContact NH2-OD1 3.18Å; R377-D531 IonicContact NH2-OD2 2.88Å; R377-D531 PolarHBondContact NH2-OD2 3.3Å
378	P	92.4	Very high	94.6	Very high	64 Å²	64	31.9 Å²	31.9	42%	0.416	16%	0.155	S	C	.	.	S	Bend	cis	-62.3	148.9	-4.8	27.5	-35.6	0	0	0	112.2	T380 L526	P378-T380 PolarHBondContact O-N 2.98Å; P378-L526 HydrophobicContact CB-CD2 4.11Å
379	A	89.8	Confident	94.7	Very high	6 Å²	6	31.5 Å²	31.5	5%	0.05	15%	0.154	C	C	.	.			trans	-80	111.1	-177.4	0	0	0	0	0	110.2	F374 L520 N523 L528	F374-A379 HydrophobicContact CB-CB 4.23Å; F374-A379 HydrophobicContact CD1-CB 3.48Å; F374-A379 VanDerWaalsContact CD1-CB 3.48Å; F374-A379 HydrophobicContact CD2-CB 4.01Å; F374-A379 HydrophobicContact CE1-CB 3.72Å; F374-A379 HydrophobicContact CE2-CB 4.23Å; F374-A379 HydrophobicContact CG-CB 3.63Å; F374-A379 HydrophobicContact CZ-CB 4.1Å; A379-L520 HydrophobicContact CB-CD1 4.42Å; A379-N523 WeakPolarHBondContact O-CB 3.27Å; A379-N523 PolarHBondContact O-ND2 2.88Å; A379-L528 HydrophobicContact CB-CD1 4.12Å
380	T	88.2	Confident	94.7	Very high	88 Å²	88	31.5 Å²	31.5	54%	0.54	15%	0.153	S	C	.	.	S	Bend	trans	-98.1	-23.7	176.9	52.1	0	0	0	0	113.1	P378 L520	P378-T380 PolarHBondContact O-N 2.98Å; T380-L520 CarbonylContact O-C 3.46Å; T380-L520 WeakPolarHBondContact O-CB 3.44Å
381	D	89.3	Confident	94.7	Very high	72 Å²	72	34 Å²	34	39%	0.385	16%	0.164	S	C	.	.	S	Bend	trans	-145.4	179.5	176	74.8	5.8	0	0	0	110.7	F374 R383	F374-D381 WeakPolarHBondContact CE1-O 3.43Å; D381-R383 VanDerWaalsContact C-N 3.34Å; D381-R383 WeakPolarHBondContact OD1-CB 3.36Å; D381-R383 PolarHBondContact OD1-N 2.98Å; D381-R383 WeakPolarHBondContact OD2-CB 3.13Å
382	N	92.1	Very high	94.7	Very high	56 Å²	56	36.4 Å²	36.4	30%	0.299	17%	0.173	S	C	.	.	S	Bend	trans	-87.6	8.5	176.1	-72.8	-60.2	0	0	0	114.1	W384 R385 E388	N382-W384 VanDerWaalsContact C-N 3.34Å; N382-W384 PolarHBondContact O-N 3.22Å; N382-R385 PolarHBondContact O-N 2.8Å; N382-R385 PolarHBondContact OD1-NH1 2.85Å; N382-E388 HydrophobicContact CB-CG 4.45Å
383	R	93.6	Very high	94.8	Very high	116 Å²	116	36.4 Å²	36.4	44%	0.438	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-41.1	-176	-177.4	-172.6	174.5	91.5	6.3	111.7	D381 I389 R392	D381-R383 VanDerWaalsContact C-N 3.34Å; D381-R383 WeakPolarHBondContact OD1-CB 3.36Å; D381-R383 PolarHBondContact OD1-N 2.98Å; D381-R383 WeakPolarHBondContact OD2-CB 3.13Å; R383-I389 WeakPolarHBondContact O-CG1 3.48Å; R383-R392 VanDerWaalsContact O-CZ 3.28Å; R383-R392 PolarHBondContact O-NH1 2.71Å; R383-R392 PolarHBondContact O-NH2 3.41Å
384	W	95.9	Very high	94.7	Very high	54 Å²	54	36.1 Å²	36.1	21%	0.205	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	16.5	-174.3	-56	114.5	0	0	0	114	A352 D353 L375 K376 N382 I389	A352-W384 HydrophobicContact CB-CE3 3.85Å; A352-W384 HydrophobicContact CB-CZ3 4.05Å; D353-W384 VanDerWaalsContact OD1-CH2 3.32Å; D353-W384 WeakPolarHBondContact OD1-CH2 3.43Å; L375-W384 PolarHBondContact N-O 3.36Å; K376-W384 HydrophobicContact CB-CB 3.94Å; K376-W384 HydrophobicContact CB-CD2 4.37Å; K376-W384 HydrophobicContact CB-CG 3.87Å; K376-W384 HydrophobicContact CD-CD2 3.85Å; K376-W384 HydrophobicContact CD-CE3 4.1Å; K376-W384 HydrophobicContact CD-CG 4.25Å; K376-W384 HydrophobicContact CD-CH2 4.39Å; K376-W384 HydrophobicContact CD-CZ2 4.2Å; K376-W384 HydrophobicContact CD-CZ3 4.36Å; K376-W384 HydrophobicContact CG-CD2 4.35Å; K376-W384 HydrophobicContact CG-CG 4.34Å; N382-W384 VanDerWaalsContact C-N 3.34Å; N382-W384 PolarHBondContact O-N 3.22Å; W384-I389 HydrophobicContact CE3-CD1 4.41Å
385	R	96.2	Very high	94.5	Very high	31 Å²	31	39.8 Å²	39.8	12%	0.117	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-78.7	132.5	169.6	-145.7	176.2	71.9	-139.7	-0.3	109.5	E372 I373 F374 N382 D387 E388 I389	E372-R385 VanDerWaalsContact O-CG 3.23Å; E372-R385 WeakPolarHBondContact O-CG 3.5Å; I373-R385 CarbonylContact O-C 3.58Å; I373-R385 WeakPolarHBondContact O-CA 3.49Å; F374-R385 HydrophobicContact CD1-CB 4.07Å; F374-R385 HydrophobicContact CD1-CG 4.13Å; F374-R385 HydrophobicContact CD2-CG 4.5Å; F374-R385 HydrophobicContact CE1-CB 3.83Å; F374-R385 HydrophobicContact CE1-CG 3.86Å; F374-R385 HydrophobicContact CE2-CG 4.24Å; F374-R385 HydrophobicContact CG-CG 4.45Å; F374-R385 HydrophobicContact CZ-CB 4.36Å; F374-R385 HydrophobicContact CZ-CG 3.91Å; N382-R385 PolarHBondContact O-N 2.8Å; N382-R385 PolarHBondContact OD1-NH1 2.85Å; R385-D387 WeakPolarHBondContact CG-OD1 3.32Å; R385-D387 IonicContact CZ-OD1 2.62Å; R385-D387 IonicContact CZ-OD2 2.82Å; R385-D387 IonicContact NE-OD1 3.61Å; R385-D387 PolarHBondContact NE-OD1 3.04Å; R385-D387 IonicContact NE-OD2 2.82Å; R385-D387 PolarHBondContact NE-OD2 2.82Å; R385-D387 IonicContact NH2-OD1 3.99Å; R385-D387 PolarHBondContact NH2-OD1 3.39Å; R385-D387 IonicContact NH2-OD2 2.72Å; R385-D387 PolarHBondContact NH2-OD2 3.35Å; R385-D387 PolarHBondContact O-N 3.48Å; R385-E388 HydrophobicContact CB-CB 4.46Å; R385-E388 HydrophobicContact CB-CG 4.38Å; R385-E388 IonicContact CZ-OE1 2.81Å; R385-E388 IonicContact NH1-OE1 3.51Å; R385-E388 IonicContact NH2-OE1 3.34Å; R385-E388 PolarHBondContact NH2-OE1 2.86Å; R385-E388 PolarHBondContact O-N 3.28Å; R385-I389 WeakPolarHBondContact O-CG1 3.42Å; R385-I389 PolarHBondContact O-N 2.83Å
386	L	97.6	Very high	94.2	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-56.7	-49.9	-170	169.8	64.8	0	0	0	112.6	L355 L369 P371 I373 L375 E388 I389 L390 L467	L355-L386 HydrophobicContact CD1-CD1 4.27Å; L369-L386 HydrophobicContact CD2-CD2 4.03Å; L369-L386 HydrophobicContact CG-CD2 4.34Å; P371-L386 WeakPolarHBondContact O-CB 3.5Å; I373-L386 HydrophobicContact CD1-CD2 4.27Å; I373-L386 HydrophobicContact CG1-CB 3.91Å; I373-L386 HydrophobicContact CG1-CD2 4.02Å; I373-L386 PolarHBondContact O-N 2.82Å; L375-L386 HydrophobicContact CD1-CD1 4.34Å; L375-L386 HydrophobicContact CD2-CB 4.45Å; L375-L386 HydrophobicContact CG-CB 4.49Å; L386-E388 PolarHBondContact O-N 2.88Å; L386-I389 PolarHBondContact O-N 2.86Å; L386-L390 HydrophobicContact CD1-CD1 3.98Å; L386-L390 HydrophobicContact CD1-CG 4.09Å; L386-L390 HydrophobicContact CG-CD1 4.19Å; L386-L390 WeakPolarHBondContact O-CG 3.4Å; L386-L390 PolarHBondContact O-N 3.48Å; L386-L467 HydrophobicContact CD1-CD1 4.16Å; L386-L467 HydrophobicContact CD2-CB 3.94Å; L386-L467 HydrophobicContact CD2-CD1 3.89Å
387	D	96.3	Very high	93.8	Very high	7 Å²	7	45.1 Å²	45.1	4%	0.037	22%	0.22	C	C	.	.	H	α-helix	trans	-57.2	-46.3	177.2	65.9	-30.3	0	0	0	113.2	P371 R385 I389 L390 K391 M426	P371-D387 HydrophobicContact CB-CB 4.04Å; P371-D387 VanDerWaalsContact O-CB 3.26Å; P371-D387 WeakPolarHBondContact O-CB 3.25Å; P371-D387 PolarHBondContact O-N 2.97Å; R385-D387 WeakPolarHBondContact CG-OD1 3.32Å; R385-D387 IonicContact CZ-OD1 2.62Å; R385-D387 IonicContact CZ-OD2 2.82Å; R385-D387 IonicContact NE-OD1 3.61Å; R385-D387 PolarHBondContact NE-OD1 3.04Å; R385-D387 IonicContact NE-OD2 2.82Å; R385-D387 PolarHBondContact NE-OD2 2.82Å; R385-D387 IonicContact NH2-OD1 3.99Å; R385-D387 PolarHBondContact NH2-OD1 3.39Å; R385-D387 IonicContact NH2-OD2 2.72Å; R385-D387 PolarHBondContact NH2-OD2 3.35Å; R385-D387 PolarHBondContact O-N 3.48Å; D387-I389 PolarHBondContact O-N 2.82Å; D387-L390 PolarHBondContact O-N 2.77Å; D387-K391 VanDerWaalsContact O-CB 3.26Å; D387-K391 WeakPolarHBondContact O-CB 3.29Å; D387-K391 PolarHBondContact O-N 3.28Å; D387-M426 HydrophobicContact CB-CE 3.58Å; D387-M426 HydrophobicContact CB-SD 3.78Å; D387-M426 WeakPolarHBondContact O-CE 3.32Å
388	E	96.6	Very high	93.7	Very high	43 Å²	43	43.2 Å²	43.2	20%	0.201	21%	0.213	C	C	.	.	H	α-helix	trans	-67.4	-33.8	177.3	-64.1	-67.3	173.1	0	0	112.3	N382 R385 L386 K391 R392	N382-E388 HydrophobicContact CB-CG 4.45Å; R385-E388 HydrophobicContact CB-CB 4.46Å; R385-E388 HydrophobicContact CB-CG 4.38Å; R385-E388 IonicContact CZ-OE1 2.81Å; R385-E388 IonicContact NH1-OE1 3.51Å; R385-E388 IonicContact NH2-OE1 3.34Å; R385-E388 PolarHBondContact NH2-OE1 2.86Å; R385-E388 PolarHBondContact O-N 3.28Å; L386-E388 PolarHBondContact O-N 2.88Å; E388-K391 IonicContact OE1-NZ 3.44Å; E388-K391 IonicContact OE2-NZ 2.7Å; E388-K391 PolarHBondContact OE2-NZ 2.82Å; E388-R392 VanDerWaalsContact C-NH1 3.33Å; E388-R392 WeakPolarHBondContact O-CB 3.23Å; E388-R392 VanDerWaalsContact O-CG 3.27Å; E388-R392 WeakPolarHBondContact O-CG 3.4Å; E388-R392 PolarHBondContact O-N 3.11Å; E388-R392 PolarHBondContact O-NH1 2.7Å
389	I	97.3	Very high	93.8	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-61.8	-56.5	170.4	-62.8	160.7	0	0	0	108.9	A352 L355 L375 R383 W384 R385 L386 D387 K391 R392 K393	A352-I389 HydrophobicContact CB-CD1 4.33Å; L355-I389 HydrophobicContact CB-CG2 3.74Å; L375-I389 HydrophobicContact CD1-CD1 3.7Å; L375-I389 HydrophobicContact CG-CD1 4.4Å; R383-I389 WeakPolarHBondContact O-CG1 3.48Å; W384-I389 HydrophobicContact CE3-CD1 4.41Å; R385-I389 WeakPolarHBondContact O-CG1 3.42Å; R385-I389 PolarHBondContact O-N 2.83Å; L386-I389 PolarHBondContact O-N 2.86Å; D387-I389 PolarHBondContact O-N 2.82Å; I389-K391 PolarHBondContact O-N 2.97Å; I389-R392 PolarHBondContact O-N 3.37Å; I389-R392 VanDerWaalsContact O-N 3.15Å; I389-K393 HydrophobicContact CG2-CG 4.26Å; I389-K393 VanDerWaalsContact O-CG 3.3Å; I389-K393 WeakPolarHBondContact O-CG 3.39Å; I389-K393 PolarHBondContact O-N 3.37Å
390	L	97.8	Very high	94.2	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-58	-37.6	-177.6	-66.5	179.2	0	0	0	112.2	L355 I362 I364 L386 D387 A394 V400 L423 I430	L355-L390 HydrophobicContact CD2-CD2 4.31Å; I362-L390 HydrophobicContact CD1-CD2 4.13Å; I362-L390 HydrophobicContact CG2-CD2 4.11Å; I364-L390 HydrophobicContact CD1-CD1 4.02Å; I364-L390 HydrophobicContact CD1-CD2 4.17Å; L386-L390 HydrophobicContact CD1-CD1 3.98Å; L386-L390 HydrophobicContact CD1-CG 4.09Å; L386-L390 HydrophobicContact CG-CD1 4.19Å; L386-L390 WeakPolarHBondContact O-CG 3.4Å; L386-L390 PolarHBondContact O-N 3.48Å; D387-L390 PolarHBondContact O-N 2.77Å; L390-A394 WeakPolarHBondContact O-CB 3.37Å; L390-A394 PolarHBondContact O-N 3.28Å; L390-V400 HydrophobicContact CD1-CG1 4.39Å; L390-V400 HydrophobicContact CD2-CG1 3.97Å; L390-V400 HydrophobicContact CD2-CG2 4.44Å; L390-L423 HydrophobicContact CD1-CD2 4.03Å; L390-I430 HydrophobicContact CB-CD1 4.48Å
391	K	96.6	Very high	94.7	Very high	56 Å²	56	37 Å²	37	24%	0.243	17%	0.171	C	C	.	.	H	α-helix	trans	-63.3	-53.5	173.2	175.1	179	144.6	-145.9	0	112.4	D387 E388 I389 K393 A394 E395 M426	D387-K391 VanDerWaalsContact O-CB 3.26Å; D387-K391 WeakPolarHBondContact O-CB 3.29Å; D387-K391 PolarHBondContact O-N 3.28Å; E388-K391 IonicContact OE1-NZ 3.44Å; E388-K391 IonicContact OE2-NZ 2.7Å; E388-K391 PolarHBondContact OE2-NZ 2.82Å; I389-K391 PolarHBondContact O-N 2.97Å; K391-K393 PolarHBondContact O-N 3.34Å; K391-A394 CarbonylContact O-C 3.51Å; K391-A394 WeakPolarHBondContact O-CB 3.43Å; K391-A394 PolarHBondContact O-N 3.15Å; K391-A394 VanDerWaalsContact O-N 3.08Å; K391-E395 VanDerWaalsContact CE-OE1 3.3Å; K391-E395 WeakPolarHBondContact CE-OE1 3.25Å; K391-E395 WeakPolarHBondContact CG-OE1 3.33Å; K391-E395 WeakPolarHBondContact O-CB 3.45Å; K391-E395 VanDerWaalsContact O-CG 3.32Å; K391-E395 WeakPolarHBondContact O-CG 3.36Å; K391-E395 PolarHBondContact O-N 3.2Å; K391-M426 HydrophobicContact CB-CB 4.43Å; K391-M426 HydrophobicContact CB-SD 3.86Å; K391-M426 HydrophobicContact CD-CB 4.4Å; K391-M426 HydrophobicContact CD-CG 4.45Å; K391-M426 HydrophobicContact CD-SD 4.09Å; K391-M426 HydrophobicContact CG-CB 4.46Å; K391-M426 HydrophobicContact CG-SD 4.48Å
392	R	95.8	Very high	95.1	Very high	51 Å²	51	33.6 Å²	33.6	19%	0.192	15%	0.153	C	C	.	.	H	α-helix	trans	-57.3	-37.1	177.1	-72.4	-172.9	-45.2	-94.6	12.6	112.4	E356 R383 E388 I389 K396	E356-R392 IonicContact OE2-CZ 3.49Å; E356-R392 IonicContact OE2-NE 3.64Å; E356-R392 PolarHBondContact OE2-NE 3.1Å; E356-R392 VanDerWaalsContact OE2-NE 3.1Å; E356-R392 IonicContact OE2-NH2 2.73Å; E356-R392 PolarHBondContact OE2-NH2 3Å; R383-R392 VanDerWaalsContact O-CZ 3.28Å; R383-R392 PolarHBondContact O-NH1 2.71Å; R383-R392 PolarHBondContact O-NH2 3.41Å; E388-R392 VanDerWaalsContact C-NH1 3.33Å; E388-R392 WeakPolarHBondContact O-CB 3.23Å; E388-R392 VanDerWaalsContact O-CG 3.27Å; E388-R392 WeakPolarHBondContact O-CG 3.4Å; E388-R392 PolarHBondContact O-N 3.11Å; E388-R392 PolarHBondContact O-NH1 2.7Å; I389-R392 PolarHBondContact O-N 3.37Å; I389-R392 VanDerWaalsContact O-N 3.15Å; R392-K396 VanDerWaalsContact O-CG 3.25Å; R392-K396 WeakPolarHBondContact O-CG 3.46Å; R392-K396 PolarHBondContact O-N 3.46Å; R392-K396 VanDerWaalsContact O-N 3.07Å
393	K	95.8	Very high	95.4	Very high	10 Å²	10	31 Å²	31	4%	0.043	14%	0.139	C	C	.	.	H	α-helix	trans	-72.1	-41.2	176.3	-60	-54.5	-66.8	-174.3	0	111.7	L355 E356 A358 I362 I389 K391 E395 K396 G397 V398	L355-K393 WeakPolarHBondContact O-CD 3.4Å; L355-K393 WeakPolarHBondContact O-CE 3.38Å; L355-K393 WeakPolarHBondContact O-CG 3.36Å; E356-K393 PolarHBondContact O-NZ 3.24Å; A358-K393 WeakPolarHBondContact O-CE 3.27Å; A358-K393 PolarHBondContact O-NZ 3.26Å; I362-K393 HydrophobicContact CD1-CB 4.09Å; I362-K393 HydrophobicContact CD1-CG 4.31Å; I389-K393 HydrophobicContact CG2-CG 4.26Å; I389-K393 VanDerWaalsContact O-CG 3.3Å; I389-K393 WeakPolarHBondContact O-CG 3.39Å; I389-K393 PolarHBondContact O-N 3.37Å; K391-K393 PolarHBondContact O-N 3.34Å; K393-E395 VanDerWaalsContact C-N 3.34Å; K393-E395 PolarHBondContact O-N 3Å; K393-K396 HydrophobicContact CD-CD 4.29Å; K393-K396 CarbonylContact O-C 3.55Å; K393-K396 WeakPolarHBondContact O-CB 3.24Å; K393-K396 PolarHBondContact O-N 3.33Å; K393-G397 PolarHBondContact O-N 3.19Å; K393-V398 HydrophobicContact CB-CB 4.17Å; K393-V398 HydrophobicContact CB-CG2 4.18Å; K393-V398 VanDerWaalsContact O-CB 3.23Å; K393-V398 WeakPolarHBondContact O-CB 3.27Å; K393-V398 WeakPolarHBondContact O-CG2 3.18Å; K393-V398 PolarHBondContact O-N 3.3Å
394	A	94.3	Very high	95.5	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-63	-37.7	175	0	0	0	0	0	112.7	L390 K391 G397 V398 V400 H427 N429 I430	L390-A394 WeakPolarHBondContact O-CB 3.37Å; L390-A394 PolarHBondContact O-N 3.28Å; K391-A394 CarbonylContact O-C 3.51Å; K391-A394 WeakPolarHBondContact O-CB 3.43Å; K391-A394 PolarHBondContact O-N 3.15Å; K391-A394 VanDerWaalsContact O-N 3.08Å; A394-G397 PolarHBondContact O-N 3.04Å; A394-G397 VanDerWaalsContact O-N 3.11Å; A394-V398 WeakPolarHBondContact CA-O 3.21Å; A394-V400 HydrophobicContact CB-CG2 4.43Å; A394-H427 VanDerWaalsContact C-CE1 3.5Å; A394-H427 HydrophobicContact CB-CB 3.76Å; A394-H427 WeakPolarHBondContact CB-ND1 3.15Å; A394-H427 PolarHBondContact O-CE1 2.72Å; A394-H427 PolarHBondContact O-ND1 2.76Å; A394-N429 HydrophobicContact CB-CB 4.08Å; A394-N429 PolarHBondContact O-ND2 2.8Å; A394-I430 HydrophobicContact CB-CD1 4.03Å; A394-I430 HydrophobicContact CB-CG1 3.7Å
395	E	92.5	Very high	95.5	Very high	87 Å²	87	23.4 Å²	23.4	41%	0.407	11%	0.111	S	C	.	.	H	α-helix	trans	-64.9	-41.5	171.8	-71.5	164.9	175.2	0	0	111.6	K391 K393 G397	K391-E395 VanDerWaalsContact CE-OE1 3.3Å; K391-E395 WeakPolarHBondContact CE-OE1 3.25Å; K391-E395 WeakPolarHBondContact CG-OE1 3.33Å; K391-E395 WeakPolarHBondContact O-CB 3.45Å; K391-E395 VanDerWaalsContact O-CG 3.32Å; K391-E395 WeakPolarHBondContact O-CG 3.36Å; K391-E395 PolarHBondContact O-N 3.2Å; K393-E395 VanDerWaalsContact C-N 3.34Å; K393-E395 PolarHBondContact O-N 3Å; E395-G397 PolarHBondContact O-N 2.94Å
396	K	89.9	Confident	95.3	Very high	134 Å²	134	23.8 Å²	23.8	58%	0.583	11%	0.113	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.3	3.5	169	-68.9	170	-174.8	-178.2	0	113.9	E356 R392 K393	E356-K396 IonicContact OE1-NZ 2.81Å; E356-K396 PolarHBondContact OE1-NZ 3.05Å; R392-K396 VanDerWaalsContact O-CG 3.25Å; R392-K396 WeakPolarHBondContact O-CG 3.46Å; R392-K396 PolarHBondContact O-N 3.46Å; R392-K396 VanDerWaalsContact O-N 3.07Å; K393-K396 HydrophobicContact CD-CD 4.29Å; K393-K396 CarbonylContact O-C 3.55Å; K393-K396 WeakPolarHBondContact O-CB 3.24Å; K393-K396 PolarHBondContact O-N 3.33Å
397	G	87.6	Confident	94.8	Very high	30 Å²	30	24 Å²	24	31%	0.309	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.2	0.6	174.4	0	0	0	0	0	116.1	K393 A394 E395	K393-G397 PolarHBondContact O-N 3.19Å; A394-G397 PolarHBondContact O-N 3.04Å; A394-G397 VanDerWaalsContact O-N 3.11Å; E395-G397 PolarHBondContact O-N 2.94Å
398	V	92.8	Very high	94.1	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.012	13%	0.127	C	C	.	.			trans	-66.2	134.3	176.9	-178.7	0	0	0	0	109.9	A358 I362 K393 A394 N429	A358-V398 WeakPolarHBondContact O-CG2 3.49Å; I362-V398 HydrophobicContact CD1-CG1 3.9Å; I362-V398 HydrophobicContact CG1-CG1 3.81Å; K393-V398 HydrophobicContact CB-CB 4.17Å; K393-V398 HydrophobicContact CB-CG2 4.18Å; K393-V398 VanDerWaalsContact O-CB 3.23Å; K393-V398 WeakPolarHBondContact O-CB 3.27Å; K393-V398 WeakPolarHBondContact O-CG2 3.18Å; K393-V398 PolarHBondContact O-N 3.3Å; A394-V398 WeakPolarHBondContact CA-O 3.21Å; V398-N429 WeakPolarHBondContact O-CB 3.32Å
399	K	94.6	Very high	92.9	Very high	27 Å²	27	30.2 Å²	30.2	12%	0.117	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	122.8	172.8	-66.1	-63.4	-168.9	-177.2	0	109.4	D28 H53 Q360 E361 I362 N429	D28-K399 IonicContact OD2-NZ 3.71Å; D28-K399 PolarHBondContact OD2-NZ 2.72Å; H53-K399 HydrophobicContact CB-CG 4.36Å; Q360-K399 PolarHBondContact O-N 2.92Å; E361-K399 WeakPolarHBondContact CA-O 3.5Å; I362-K399 PolarHBondContact N-O 3.37Å; K399-N429 HydrophobicContact CD-CB 4.09Å; K399-N429 PolarHBondContact NZ-OD1 3.22Å
400	V	97.6	Very high	91.3	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	118.5	179.8	-175.7	0	0	0	0	108.7	I362 L390 A394 V402 N429 I430 K431	I362-V400 HydrophobicContact CB-CG1 4.41Å; I362-V400 HydrophobicContact CB-CG2 4.34Å; I362-V400 HydrophobicContact CD1-CG2 4.33Å; I362-V400 HydrophobicContact CG2-CG1 4.46Å; I362-V400 CarbonylContact O-C 3.52Å; I362-V400 WeakPolarHBondContact O-CA 3.41Å; L390-V400 HydrophobicContact CD1-CG1 4.39Å; L390-V400 HydrophobicContact CD2-CG1 3.97Å; L390-V400 HydrophobicContact CD2-CG2 4.44Å; A394-V400 HydrophobicContact CB-CG2 4.43Å; V400-V402 HydrophobicContact CG1-CG2 4.15Å; V400-N429 PolarHBondContact N-O 2.73Å; V400-I430 HydrophobicContact CB-CB 4.42Å; V400-I430 HydrophobicContact CB-CG1 4.07Å; V400-I430 HydrophobicContact CB-CG2 4.33Å; V400-I430 HydrophobicContact CG1-CG2 4.31Å; V400-I430 HydrophobicContact CG2-CG1 4.24Å; V400-I430 WeakPolarHBondContact O-CA 3.41Å; V400-K431 PolarHBondContact O-N 2.74Å
401	C	98.1	Very high	89.7	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.007	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	123.6	-179.3	-68.3	0	0	0	0	110	I362 F363 I364 K431 F581 W585 L603	I362-C401 PolarHBondContact O-N 2.82Å; F363-C401 WeakPolarHBondContact CA-O 3.43Å; F363-C401 HydrophobicContact CD1-CB 4.03Å; F363-C401 HydrophobicContact CE1-CB 4.44Å; I364-C401 PolarHBondContact N-O 3.31Å; C401-K431 WeakPolarHBondContact CA-O 3.49Å; C401-F581 HydrophobicContact CB-CE1 3.82Å; C401-F581 HydrophobicContact CB-CZ 3.79Å; C401-F581 VanDerWaalsContact O-CZ 3.27Å; C401-F581 WeakPolarHBondContact O-CZ 3.22Å; C401-W585 HydrophobicContact CB-CE3 4.09Å; C401-W585 HydrophobicContact CB-CH2 3.87Å; C401-W585 HydrophobicContact CB-CZ2 4.31Å; C401-W585 HydrophobicContact CB-CZ3 3.75Å; C401-L603 HydrophobicContact CB-CD1 4.17Å
402	V	98.4	Very high	88.7	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	131.9	-175.4	-172.2	0	0	0	0	110.5	I364 L369 V400 L404 L423 K431 V432 M433	I364-V402 HydrophobicContact CB-CB 4.47Å; I364-V402 HydrophobicContact CB-CG1 4.12Å; I364-V402 HydrophobicContact CB-CG2 4.21Å; I364-V402 HydrophobicContact CD1-CG2 4.31Å; I364-V402 HydrophobicContact CG2-CG1 4.18Å; I364-V402 CarbonylContact O-C 3.55Å; I364-V402 WeakPolarHBondContact O-CA 3.37Å; L369-V402 HydrophobicContact CD1-CG1 3.86Å; V400-V402 HydrophobicContact CG1-CG2 4.15Å; V402-L404 HydrophobicContact CG1-CD2 3.65Å; V402-L404 HydrophobicContact CG1-CG 3.96Å; V402-L423 HydrophobicContact CG2-CD1 4.43Å; V402-K431 PolarHBondContact N-O 2.93Å; V402-V432 HydrophobicContact CB-CB 4.38Å; V402-V432 HydrophobicContact CB-CG1 4.15Å; V402-V432 HydrophobicContact CB-CG2 4.03Å; V402-V432 HydrophobicContact CG1-CG1 4.36Å; V402-V432 HydrophobicContact CG2-CG2 4.22Å; V402-V432 CarbonylContact O-C 3.59Å; V402-V432 WeakPolarHBondContact O-CA 3.4Å; V402-M433 PolarHBondContact O-N 2.83Å
403	L	97.6	Very high	87.8	Confident	1 Å²	1	42.1 Å²	42.1	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	103.7	170.9	-84.5	168.2	0	0	0	109.6	I364 T365 D366 M433 F581 R584 W585 T588	I364-L403 PolarHBondContact O-N 2.76Å; T365-L403 WeakPolarHBondContact CA-O 3.31Å; T365-L403 HydrophobicContact CG2-CB 4.04Å; D366-L403 PolarHBondContact N-O 3.3Å; L403-M433 HydrophobicContact CD2-CB 3.72Å; L403-F581 HydrophobicContact CB-CE2 3.96Å; L403-F581 HydrophobicContact CD1-CD2 3.86Å; L403-F581 HydrophobicContact CD1-CE2 3.61Å; L403-F581 HydrophobicContact CD1-CZ 4.27Å; L403-F581 HydrophobicContact CG-CE2 3.85Å; L403-F581 HydrophobicContact CG-CZ 4.35Å; L403-R584 HydrophobicContact CD1-CB 3.73Å; L403-W585 HydrophobicContact CD1-CB 4.27Å; L403-W585 HydrophobicContact CD2-CE3 4.43Å; L403-W585 HydrophobicContact CG-CE3 4.05Å; L403-T588 HydrophobicContact CD2-CG2 4.32Å
404	L	96.9	Very high	87.3	Confident	1 Å²	1	42.1 Å²	42.1	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	147.8	172.8	-56.4	-178.9	0	0	0	110.7	D366 L369 V402 V432 M433 R434 H435	D366-L404 HydrophobicContact CB-CD2 4.17Å; L369-L404 HydrophobicContact CB-CD2 3.54Å; L369-L404 HydrophobicContact CD1-CD2 3.94Å; L369-L404 HydrophobicContact CG-CD2 4.4Å; V402-L404 HydrophobicContact CG1-CD2 3.65Å; V402-L404 HydrophobicContact CG1-CG 3.96Å; L404-V432 HydrophobicContact CD1-CG1 3.97Å; L404-V432 HydrophobicContact CG-CG1 4.09Å; L404-M433 PolarHBondContact N-O 2.84Å; L404-R434 HydrophobicContact CB-CG 4.47Å; L404-R434 WeakPolarHBondContact O-CA 3.23Å; L404-H435 PolarHBondContact O-N 2.91Å; L404-H435 VanDerWaalsContact O-N 3.15Å
405	Y	95	Very high	87.1	Confident	11 Å²	11	44.7 Å²	44.7	4%	0.043	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	146.1	158.6	175.1	-131	0	0	0	110.5	D366 W367 E407 L412 I414 S416 H435 A447	D366-Y405 PolarHBondContact O-N 2.98Å; W367-Y405 AromaticContact CD1-CD1 3.65Å; W367-Y405 HydrophobicContact CG-CD1 4.39Å; W367-Y405 AromaticContact NE1-CD1 3.52Å; W367-Y405 AromaticContact NE1-CE1 3.7Å; Y405-E407 HydrophobicContact CE1-CB 4.17Å; Y405-L412 HydrophobicContact CE1-CD1 3.93Å; Y405-I414 HydrophobicContact CD1-CD1 3.99Å; Y405-S416 WeakPolarHBondContact O-CB 3.39Å; Y405-S416 PolarHBondContact O-OG 3.36Å; Y405-H435 CarbonylContact C-O 3.48Å; Y405-H435 WeakPolarHBondContact CA-O 3.16Å; Y405-A447 HydrophobicContact CD1-CB 4.2Å; Y405-A447 HydrophobicContact CD2-CB 3.88Å; Y405-A447 HydrophobicContact CE1-CB 3.98Å; Y405-A447 VanDerWaalsContact CE2-CA 3.49Å; Y405-A447 HydrophobicContact CE2-CB 3.66Å; Y405-A447 HydrophobicContact CG-CB 4.17Å
406	K	91.9	Very high	87	Confident	39 Å²	39	40.7 Å²	40.7	17%	0.17	23%	0.227	C	C	.	.			trans	-106.5	106.7	165.1	178.4	162.1	166.4	-172.7	0	109.4	R434 H435 P436 D437 H438	K406-R434 HydrophobicContact CB-CB 4.06Å; K406-H435 PolarHBondContact N-O 2.96Å; K406-P436 VanDerWaalsContact CB-O 3.32Å; K406-P436 WeakPolarHBondContact CB-O 3.25Å; K406-P436 WeakPolarHBondContact CD-O 3.29Å; K406-D437 WeakPolarHBondContact CD-OD1 3.42Å; K406-D437 IonicContact NZ-OD1 2.68Å; K406-D437 PolarHBondContact NZ-OD1 3.41Å; K406-H438 PolarHBondContact O-NE2 3.01Å
407	E	86.9	Confident	87.1	Confident	4 Å²	4	36.1 Å²	36.1	2%	0.019	21%	0.209	C	C	.	.			trans	-60	161.2	171.1	73.5	-78.2	-138.4	0	0	113.8	Y405 E409 L412 I414 N415 S416 R434	Y405-E407 HydrophobicContact CE1-CB 4.17Å; E407-E409 HydrophobicContact CG-CG 4.06Å; E407-L412 HydrophobicContact CB-CB 4.08Å; E407-L412 HydrophobicContact CB-CD1 4.26Å; E407-I414 HydrophobicContact CB-CD1 3.97Å; E407-I414 HydrophobicContact CB-CG1 3.84Å; E407-I414 HydrophobicContact CG-CD1 4.46Å; E407-I414 HydrophobicContact CG-CG1 3.91Å; E407-N415 WeakPolarHBondContact OE1-CA 3.41Å; E407-N415 PolarHBondContact OE1-N 3.5Å; E407-N415 VanDerWaalsContact OE1-N 3.16Å; E407-S416 PolarHBondContact OE1-N 2.99Å; E407-S416 PolarHBondContact OE1-OG 2.89Å; E407-S416 WeakPolarHBondContact OE2-CB 3.39Å; E407-S416 PolarHBondContact OE2-OG 3.15Å; E407-R434 IonicContact OE2-NH1 3.63Å; E407-R434 PolarHBondContact OE2-NH1 2.65Å
408	V	81.8	Confident	87.4	Confident	52 Å²	52	36.4 Å²	36.4	32%	0.315	20%	0.201	S	C	.	.			trans	-83.1	106.3	156.1	177.8	0	0	0	0	106.5	M410 A411 L412 V443	V408-M410 PolarHBondContact O-N 3.28Å; V408-A411 HydrophobicContact CB-CB 4.27Å; V408-A411 HydrophobicContact CG1-CB 4.24Å; V408-A411 PolarHBondContact O-N 3.39Å; V408-L412 PolarHBondContact O-N 2.94Å; V408-V443 HydrophobicContact CG2-CG1 3.96Å
409	E	71.7	Confident	87.5	Confident	128 Å²	128	36.4 Å²	36.4	60%	0.598	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-11.3	-170.5	-64.5	168.1	-171.7	0	0	114.1	E407 R434	E407-E409 HydrophobicContact CG-CG 4.06Å; E409-R434 IonicContact OE1-NH1 3.82Å; E409-R434 IonicContact OE1-NH2 3.49Å
410	M	63.9	Low	87.5	Confident	188 Å²	188	35.6 Å²	35.6	93%	0.926	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-2.2	173.7	-65.9	-178.1	64.1	0	0	114.7	V408	V408-M410 PolarHBondContact O-N 3.28Å
411	A	64.3	Low	87.4	Confident	75 Å²	75	41.2 Å²	41.2	62%	0.62	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-132.3	-12.5	-170.8	0	0	0	0	0	114.8	V408	V408-A411 HydrophobicContact CB-CB 4.27Å; V408-A411 HydrophobicContact CG1-CB 4.24Å; V408-A411 PolarHBondContact O-N 3.39Å
412	L	76.1	Confident	87.2	Confident	59 Å²	59	42.6 Å²	42.6	31%	0.309	23%	0.227	S	C	.	.			trans	-144.1	132	178.3	-69.8	171.3	0	0	0	110.4	W367 Y405 E407 V408 I414	W367-L412 HydrophobicContact CH2-CD2 4.48Å; W367-L412 HydrophobicContact CZ2-CD1 3.99Å; W367-L412 HydrophobicContact CZ2-CD2 4.25Å; Y405-L412 HydrophobicContact CE1-CD1 3.93Å; E407-L412 HydrophobicContact CB-CB 4.08Å; E407-L412 HydrophobicContact CB-CD1 4.26Å; V408-L412 PolarHBondContact O-N 2.94Å; L412-I414 VanDerWaalsContact C-N 3.31Å; L412-I414 PolarHBondContact O-N 3.32Å
413	G	77.3	Confident	87.1	Confident	36 Å²	36	42.6 Å²	42.6	37%	0.371	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-1.6	-175.5	0	0	0	0	0	116.8	N415 L543	G413-N415 PolarHBondContact O-N 2.91Å; G413-L543 WeakPolarHBondContact O-CD1 3.49Å
414	I	84.6	Confident	86.9	Confident	10 Å²	10	43 Å²	43	5%	0.051	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-20.7	-164.7	67.2	165.3	0	0	0	115.9	W367 W368 Y405 E407 L412 S416	W367-I414 HydrophobicContact CE3-CG2 4.43Å; W367-I414 HydrophobicContact CH2-CG2 3.66Å; W367-I414 HydrophobicContact CZ2-CG2 4.39Å; W367-I414 HydrophobicContact CZ3-CG2 3.68Å; W367-I414 WeakPolarHBondContact O-CD1 3.21Å; W368-I414 HydrophobicContact CB-CB 4.24Å; W368-I414 HydrophobicContact CB-CG2 4.07Å; W368-I414 HydrophobicContact CD2-CB 4.29Å; W368-I414 HydrophobicContact CD2-CG2 4.09Å; W368-I414 HydrophobicContact CG-CB 3.81Å; W368-I414 HydrophobicContact CG-CG2 3.87Å; W368-I414 PolarHBondContact NE1-O 3.48Å; Y405-I414 HydrophobicContact CD1-CD1 3.99Å; E407-I414 HydrophobicContact CB-CD1 3.97Å; E407-I414 HydrophobicContact CB-CG1 3.84Å; E407-I414 HydrophobicContact CG-CD1 4.46Å; E407-I414 HydrophobicContact CG-CG1 3.91Å; L412-I414 VanDerWaalsContact C-N 3.31Å; L412-I414 PolarHBondContact O-N 3.32Å; I414-S416 PolarHBondContact O-N 2.82Å
415	N	88.9	Confident	86.7	Confident	53 Å²	53	48.4 Å²	48.4	28%	0.283	26%	0.258	S	S	.	.			trans	49.4	52.8	174.6	-165.1	-3.3	0	0	0	114	E407 G413 D417 Y418 S419 L543	E407-N415 WeakPolarHBondContact OE1-CA 3.41Å; E407-N415 PolarHBondContact OE1-N 3.5Å; E407-N415 VanDerWaalsContact OE1-N 3.16Å; G413-N415 PolarHBondContact O-N 2.91Å; N415-D417 PolarHBondContact O-N 2.72Å; N415-Y418 WeakPolarHBondContact O-CB 3.27Å; N415-Y418 PolarHBondContact O-N 3.37Å; N415-Y418 WeakPolarHBondContact OD1-CB 3.25Å; N415-Y418 PolarHBondContact OD1-N 2.97Å; N415-S419 PolarHBondContact O-N 2.88Å; N415-L543 HydrophobicContact CB-CD1 4.17Å
416	S	92.3	Very high	86.6	Confident	3 Å²	3	50 Å²	50	2%	0.021	27%	0.266	C	S	.	.	H	α-helix	trans	-62.9	-17.1	-178.1	71.7	0	0	0	0	113.1	Y405 E407 I414 K420 R434	Y405-S416 WeakPolarHBondContact O-CB 3.39Å; Y405-S416 PolarHBondContact O-OG 3.36Å; E407-S416 PolarHBondContact OE1-N 2.99Å; E407-S416 PolarHBondContact OE1-OG 2.89Å; E407-S416 WeakPolarHBondContact OE2-CB 3.39Å; E407-S416 PolarHBondContact OE2-OG 3.15Å; I414-S416 PolarHBondContact O-N 2.82Å; S416-K420 VanDerWaalsContact O-CB 3.27Å; S416-K420 WeakPolarHBondContact O-CB 3.23Å; S416-K420 PolarHBondContact O-N 3.28Å; S416-R434 WeakPolarHBondContact O-CD 3.32Å; S416-R434 WeakPolarHBondContact OG-CD 3.36Å; S416-R434 PolarHBondContact OG-NH1 2.83Å
417	D	91.9	Very high	86.7	Confident	38 Å²	38	48.7 Å²	48.7	20%	0.203	26%	0.261	C	S	.	.	H	α-helix	trans	-71.6	-33.2	171.3	-156.5	74	0	0	0	113.4	N415 R421 R434	N415-D417 PolarHBondContact O-N 2.72Å; D417-R421 WeakPolarHBondContact O-CB 3.21Å; D417-R421 WeakPolarHBondContact O-CG 3.49Å; D417-R421 PolarHBondContact O-N 3.47Å; D417-R421 PolarHBondContact O-NE 3.11Å; D417-R421 IonicContact OD2-CZ 2.66Å; D417-R421 VanDerWaalsContact OD2-CZ 3.31Å; D417-R421 IonicContact OD2-NE 3.35Å; D417-R421 PolarHBondContact OD2-NE 3.2Å; D417-R421 IonicContact OD2-NH2 2.73Å; D417-R421 PolarHBondContact OD2-NH2 2.77Å; D417-R434 VanDerWaalsContact CB-NH2 3.32Å; D417-R434 IonicContact OD1-CZ 2.73Å; D417-R434 IonicContact OD1-NE 3.42Å; D417-R434 PolarHBondContact OD1-NE 2.69Å; D417-R434 IonicContact OD1-NH2 3.1Å; D417-R434 PolarHBondContact OD1-NH2 3.15Å
418	Y	93.1	Very high	86.9	Confident	37 Å²	37	49.7 Å²	49.7	15%	0.145	27%	0.268	C	S	.	.	H	α-helix	trans	-61.9	-56	168.9	174.3	-98.4	0	0	0	109.9	E372 N415 K420 R421 T422 D544	E372-Y418 WeakPolarHBondContact OE1-CE1 3.14Å; E372-Y418 PolarHBondContact OE1-OH 2.89Å; N415-Y418 WeakPolarHBondContact O-CB 3.27Å; N415-Y418 PolarHBondContact O-N 3.37Å; N415-Y418 WeakPolarHBondContact OD1-CB 3.25Å; N415-Y418 PolarHBondContact OD1-N 2.97Å; Y418-K420 VanDerWaalsContact C-N 3.27Å; Y418-K420 PolarHBondContact O-N 3.38Å; Y418-R421 CarbonylContact O-C 3.44Å; Y418-R421 WeakPolarHBondContact O-CA 3.32Å; Y418-R421 WeakPolarHBondContact O-CB 3.35Å; Y418-R421 PolarHBondContact O-N 3Å; Y418-T422 PolarHBondContact O-N 2.63Å; Y418-T422 PolarHBondContact O-OG1 2.7Å; Y418-D544 HydrophobicContact CD2-CB 4.04Å; Y418-D544 VanDerWaalsContact CE2-CA 3.49Å; Y418-D544 HydrophobicContact CE2-CB 3.87Å; Y418-D544 PolarHBondContact OH-O 2.95Å
419	S	94.8	Very high	87.4	Confident	2 Å²	2	47.8 Å²	47.8	1%	0.014	26%	0.256	C	S	.	.	H	α-helix	trans	-56.6	-41.7	-179.7	-43.5	0	0	0	0	111.8	L369 N415 R421 L423	L369-S419 VanDerWaalsContact O-CB 3.25Å; L369-S419 WeakPolarHBondContact O-CB 3.16Å; L369-S419 PolarHBondContact O-OG 2.73Å; N415-S419 PolarHBondContact O-N 2.88Å; S419-R421 PolarHBondContact O-N 2.78Å; S419-L423 VanDerWaalsContact O-CB 3.3Å; S419-L423 WeakPolarHBondContact O-CB 3.23Å; S419-L423 VanDerWaalsContact O-CG 3.23Å; S419-L423 WeakPolarHBondContact O-CG 3.33Å; S419-L423 PolarHBondContact O-N 2.98Å
420	K	94.9	Very high	88.5	Confident	10 Å²	10	41.7 Å²	41.7	4%	0.043	23%	0.227	C	C	.	.	H	α-helix	trans	-57.3	-48	170.9	174.4	-180	177.5	58.8	0	112.4	S416 Y418 M424 V432 R434 Y600	S416-K420 VanDerWaalsContact O-CB 3.27Å; S416-K420 WeakPolarHBondContact O-CB 3.23Å; S416-K420 PolarHBondContact O-N 3.28Å; Y418-K420 VanDerWaalsContact C-N 3.27Å; Y418-K420 PolarHBondContact O-N 3.38Å; K420-M424 HydrophobicContact CG-SD 4.04Å; K420-M424 PolarHBondContact NZ-SD 3.34Å; K420-M424 VanDerWaalsContact O-CB 3.28Å; K420-M424 WeakPolarHBondContact O-CB 3.26Å; K420-M424 WeakPolarHBondContact O-CG 3.39Å; K420-M424 PolarHBondContact O-N 2.93Å; K420-M424 VanDerWaalsContact O-N 3.07Å; K420-V432 HydrophobicContact CB-CG1 4.07Å; K420-V432 HydrophobicContact CG-CB 4.16Å; K420-V432 HydrophobicContact CG-CG1 4.14Å; K420-V432 PolarHBondContact NZ-O 3.45Å; K420-R434 HydrophobicContact CB-CG 4.5Å; K420-R434 HydrophobicContact CD-CG 4.09Å; K420-Y600 PolarHBondContact NZ-OH 3Å
421	R	94.6	Very high	90	Very high	118 Å²	118	32.9 Å²	32.9	45%	0.445	18%	0.184	S	C	.	.	H	α-helix	trans	-66.9	-48.1	-177.7	-86.2	-176.7	-86.4	131.2	-2.7	111.3	D417 Y418 S419 M424 N425	D417-R421 WeakPolarHBondContact O-CB 3.21Å; D417-R421 WeakPolarHBondContact O-CG 3.49Å; D417-R421 PolarHBondContact O-N 3.47Å; D417-R421 PolarHBondContact O-NE 3.11Å; D417-R421 IonicContact OD2-CZ 2.66Å; D417-R421 VanDerWaalsContact OD2-CZ 3.31Å; D417-R421 IonicContact OD2-NE 3.35Å; D417-R421 PolarHBondContact OD2-NE 3.2Å; D417-R421 IonicContact OD2-NH2 2.73Å; D417-R421 PolarHBondContact OD2-NH2 2.77Å; Y418-R421 CarbonylContact O-C 3.44Å; Y418-R421 WeakPolarHBondContact O-CA 3.32Å; Y418-R421 WeakPolarHBondContact O-CB 3.35Å; Y418-R421 PolarHBondContact O-N 3Å; S419-R421 PolarHBondContact O-N 2.78Å; R421-M424 PolarHBondContact O-N 3.4Å; R421-N425 WeakPolarHBondContact O-CB 3.38Å; R421-N425 PolarHBondContact O-N 3.15Å; R421-N425 PolarHBondContact O-ND2 2.85Å; R421-N425 VanDerWaalsContact O-ND2 3.11Å
422	T	94.3	Very high	91.6	Very high	29 Å²	29	29.3 Å²	29.3	18%	0.178	15%	0.154	C	C	.	.	H	α-helix	trans	-57.2	-56.3	178.1	-57.3	0	0	0	0	110.6	P371 Y418 M424 N425 M426	P371-T422 HydrophobicContact CB-CG2 4.1Å; P371-T422 HydrophobicContact CG-CG2 4.24Å; Y418-T422 PolarHBondContact O-N 2.63Å; Y418-T422 PolarHBondContact O-OG1 2.7Å; T422-M424 PolarHBondContact O-N 3.18Å; T422-N425 PolarHBondContact O-N 2.67Å; T422-M426 PolarHBondContact O-N 3.5Å
423	L	95.4	Very high	92.5	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-57.8	-45.8	-179.6	-69.8	175.2	0	0	0	113.2	L369 P371 L390 V402 S419 N425 M426 I430 V432	L369-L423 HydrophobicContact CD1-CD1 4Å; L369-L423 HydrophobicContact CD2-CD1 3.99Å; P371-L423 HydrophobicContact CB-CD2 4.17Å; P371-L423 HydrophobicContact CB-CG 4.43Å; P371-L423 HydrophobicContact CG-CG 4.26Å; L390-L423 HydrophobicContact CD1-CD2 4.03Å; V402-L423 HydrophobicContact CG2-CD1 4.43Å; S419-L423 VanDerWaalsContact O-CB 3.3Å; S419-L423 WeakPolarHBondContact O-CB 3.23Å; S419-L423 VanDerWaalsContact O-CG 3.23Å; S419-L423 WeakPolarHBondContact O-CG 3.33Å; S419-L423 PolarHBondContact O-N 2.98Å; L423-N425 VanDerWaalsContact C-N 3.34Å; L423-N425 PolarHBondContact O-N 3.4Å; L423-M426 HydrophobicContact CD2-CE 3.77Å; L423-M426 PolarHBondContact O-N 3.46Å; L423-I430 HydrophobicContact CB-CG2 4.05Å; L423-I430 WeakPolarHBondContact O-CG2 3.41Å; L423-V432 HydrophobicContact CB-CG2 3.71Å; L423-V432 HydrophobicContact CD1-CG2 3.94Å
424	M	93.5	Very high	93.3	Very high	10 Å²	10	25.6 Å²	25.6	5%	0.049	13%	0.125	C	C	.	.	H	α-helix	trans	-76.3	-16	-179.1	-71.2	-170.7	58.8	0	0	114.8	F25 K420 R421 T422 V432 F599	F25-M424 HydrophobicContact CD1-CB 4.16Å; F25-M424 HydrophobicContact CD1-CE 3.93Å; F25-M424 HydrophobicContact CD2-CE 3.9Å; F25-M424 HydrophobicContact CE1-CB 3.78Å; F25-M424 HydrophobicContact CE1-CE 4.03Å; F25-M424 HydrophobicContact CE2-CE 4Å; F25-M424 HydrophobicContact CG-CE 3.87Å; F25-M424 HydrophobicContact CZ-CB 4.44Å; F25-M424 HydrophobicContact CZ-CE 4.07Å; K420-M424 HydrophobicContact CG-SD 4.04Å; K420-M424 PolarHBondContact NZ-SD 3.34Å; K420-M424 VanDerWaalsContact O-CB 3.28Å; K420-M424 WeakPolarHBondContact O-CB 3.26Å; K420-M424 WeakPolarHBondContact O-CG 3.39Å; K420-M424 PolarHBondContact O-N 2.93Å; K420-M424 VanDerWaalsContact O-N 3.07Å; R421-M424 PolarHBondContact O-N 3.4Å; T422-M424 PolarHBondContact O-N 3.18Å; M424-V432 HydrophobicContact CG-CB 3.93Å; M424-V432 HydrophobicContact CG-CG2 3.78Å; M424-V432 HydrophobicContact SD-CB 4.07Å; M424-F599 HydrophobicContact CE-CE1 3.46Å; M424-F599 VanDerWaalsContact CE-CE1 3.46Å; M424-F599 HydrophobicContact CE-CZ 3.63Å
425	N	94.6	Very high	93.7	Very high	115 Å²	115	25.9 Å²	25.9	62%	0.615	13%	0.126	S	C	*	.	H	α-helix	trans	-84	-18.6	176.3	-74.4	-19.8	0	0	0	112.7	R421 T422 L423	R421-N425 WeakPolarHBondContact O-CB 3.38Å; R421-N425 PolarHBondContact O-N 3.15Å; R421-N425 PolarHBondContact O-ND2 2.85Å; R421-N425 VanDerWaalsContact O-ND2 3.11Å; T422-N425 PolarHBondContact O-N 2.67Å; L423-N425 VanDerWaalsContact C-N 3.34Å; L423-N425 PolarHBondContact O-N 3.4Å
426	M	92.8	Very high	93.7	Very high	44 Å²	44	23.5 Å²	23.5	22%	0.217	11%	0.113	C	C	.	.	H	α-helix	trans	-72.7	-49.6	-178.8	-73.1	-167.5	-72.1	0	0	113.6	D387 K391 T422 L423 I430	D387-M426 HydrophobicContact CB-CE 3.58Å; D387-M426 HydrophobicContact CB-SD 3.78Å; D387-M426 WeakPolarHBondContact O-CE 3.32Å; K391-M426 HydrophobicContact CB-CB 4.43Å; K391-M426 HydrophobicContact CB-SD 3.86Å; K391-M426 HydrophobicContact CD-CB 4.4Å; K391-M426 HydrophobicContact CD-CG 4.45Å; K391-M426 HydrophobicContact CD-SD 4.09Å; K391-M426 HydrophobicContact CG-CB 4.46Å; K391-M426 HydrophobicContact CG-SD 4.48Å; T422-M426 PolarHBondContact O-N 3.5Å; L423-M426 HydrophobicContact CD2-CE 3.77Å; L423-M426 PolarHBondContact O-N 3.46Å; M426-I430 HydrophobicContact CB-CD1 4.14Å; M426-I430 HydrophobicContact CE-CD1 4.06Å
427	H	94	Very high	93.2	Very high	11 Å²	11	26.7 Å²	26.7	5%	0.051	13%	0.13	C	C	.	.			trans	-154.3	139.2	-174.7	-158.4	-100.6	0	0	0	112.3	Y30 A394 N429 I430	Y30-H427 AromaticContact CD2-CE1 3.98Å; Y30-H427 AromaticContact CD2-NE2 3.85Å; Y30-H427 AromaticContact CE2-CE1 3.65Å; Y30-H427 AromaticContact CE2-NE2 3.09Å; Y30-H427 WeakPolarHBondContact CE2-NE2 2.93Å; Y30-H427 AromaticContact CZ-NE2 3.59Å; A394-H427 VanDerWaalsContact C-CE1 3.5Å; A394-H427 HydrophobicContact CB-CB 3.76Å; A394-H427 WeakPolarHBondContact CB-ND1 3.15Å; A394-H427 PolarHBondContact O-CE1 2.72Å; A394-H427 PolarHBondContact O-ND1 2.76Å; H427-N429 PolarHBondContact ND1-N 3.16Å; H427-N429 PolarHBondContact O-N 2.65Å; H427-N429 VanDerWaalsContact O-N 3.16Å; H427-I430 HydrophobicContact CB-CD1 4.04Å; H427-I430 HydrophobicContact CB-CG1 4.21Å; H427-I430 WeakPolarHBondContact O-CB 3.25Å; H427-I430 PolarHBondContact O-N 2.82Å
428	P	89.7	Confident	92.4	Very high	25 Å²	25	26.7 Å²	26.7	16%	0.162	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-26.9	-178.2	22.6	-34.4	0	0	0	114.1	Y30 I430 K431	Y30-P428 HydrophobicContact CD2-CG 4.32Å; P428-I430 PolarHBondContact O-N 2.89Å; P428-K431 WeakPolarHBondContact O-CE 3.36Å; P428-K431 PolarHBondContact O-NZ 2.77Å
429	N	92.2	Very high	90.9	Very high	12 Å²	12	28.7 Å²	28.7	6%	0.064	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-7.2	175	-69.3	-27.9	0	0	0	114	A394 V398 K399 V400 H427	A394-N429 HydrophobicContact CB-CB 4.08Å; A394-N429 PolarHBondContact O-ND2 2.8Å; V398-N429 WeakPolarHBondContact O-CB 3.32Å; K399-N429 HydrophobicContact CD-CB 4.09Å; K399-N429 PolarHBondContact NZ-OD1 3.22Å; V400-N429 PolarHBondContact N-O 2.73Å; H427-N429 PolarHBondContact ND1-N 3.16Å; H427-N429 PolarHBondContact O-N 2.65Å; H427-N429 VanDerWaalsContact O-N 3.16Å
430	I	95.9	Very high	88.8	Confident	1 Å²	1	35.4 Å²	35.4	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	113	176.7	-54	172.9	0	0	0	109.6	L390 A394 V400 L423 M426 H427 P428 V432	L390-I430 HydrophobicContact CB-CD1 4.48Å; A394-I430 HydrophobicContact CB-CD1 4.03Å; A394-I430 HydrophobicContact CB-CG1 3.7Å; V400-I430 HydrophobicContact CB-CB 4.42Å; V400-I430 HydrophobicContact CB-CG1 4.07Å; V400-I430 HydrophobicContact CB-CG2 4.33Å; V400-I430 HydrophobicContact CG1-CG2 4.31Å; V400-I430 HydrophobicContact CG2-CG1 4.24Å; V400-I430 WeakPolarHBondContact O-CA 3.41Å; L423-I430 HydrophobicContact CB-CG2 4.05Å; L423-I430 WeakPolarHBondContact O-CG2 3.41Å; M426-I430 HydrophobicContact CB-CD1 4.14Å; M426-I430 HydrophobicContact CE-CD1 4.06Å; H427-I430 HydrophobicContact CB-CD1 4.04Å; H427-I430 HydrophobicContact CB-CG1 4.21Å; H427-I430 WeakPolarHBondContact O-CB 3.25Å; H427-I430 PolarHBondContact O-N 2.82Å; P428-I430 PolarHBondContact O-N 2.89Å; I430-V432 HydrophobicContact CG2-CG2 4.31Å
431	K	95.6	Very high	86.6	Confident	3 Å²	3	39.8 Å²	39.8	1%	0.013	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	112.8	-176.4	-52.6	-58.6	-170.4	-168.5	0	110	D28 V400 C401 V402 P428 W585 F599 Y600	D28-K431 IonicContact OD1-NZ 2.65Å; D28-K431 PolarHBondContact OD1-NZ 3.1Å; D28-K431 IonicContact OD2-NZ 3.8Å; V400-K431 PolarHBondContact O-N 2.74Å; C401-K431 WeakPolarHBondContact CA-O 3.49Å; V402-K431 PolarHBondContact N-O 2.93Å; P428-K431 WeakPolarHBondContact O-CE 3.36Å; P428-K431 PolarHBondContact O-NZ 2.77Å; K431-W585 HydrophobicContact CB-CH2 3.67Å; K431-W585 HydrophobicContact CB-CZ2 4.15Å; K431-W585 WeakPolarHBondContact O-CH2 3.44Å; K431-F599 HydrophobicContact CD-CD1 4.26Å; K431-F599 HydrophobicContact CD-CE1 3.68Å; K431-F599 HydrophobicContact CD-CZ 3.91Å; K431-F599 WeakPolarHBondContact CE-O 3.34Å; K431-F599 VanDerWaalsContact NZ-CE2 3.3Å; K431-F599 PolarHBondContact NZ-O 3.41Å; K431-Y600 HydrophobicContact CB-CD1 4.33Å
432	V	96.8	Very high	84.8	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	126.6	-180	-174.6	0	0	0	0	111.3	V402 L404 K420 L423 M424 I430	V402-V432 HydrophobicContact CB-CB 4.38Å; V402-V432 HydrophobicContact CB-CG1 4.15Å; V402-V432 HydrophobicContact CB-CG2 4.03Å; V402-V432 HydrophobicContact CG1-CG1 4.36Å; V402-V432 HydrophobicContact CG2-CG2 4.22Å; V402-V432 CarbonylContact O-C 3.59Å; V402-V432 WeakPolarHBondContact O-CA 3.4Å; L404-V432 HydrophobicContact CD1-CG1 3.97Å; L404-V432 HydrophobicContact CG-CG1 4.09Å; K420-V432 HydrophobicContact CB-CG1 4.07Å; K420-V432 HydrophobicContact CG-CB 4.16Å; K420-V432 HydrophobicContact CG-CG1 4.14Å; K420-V432 PolarHBondContact NZ-O 3.45Å; L423-V432 HydrophobicContact CB-CG2 3.71Å; L423-V432 HydrophobicContact CD1-CG2 3.94Å; M424-V432 HydrophobicContact CG-CB 3.93Å; M424-V432 HydrophobicContact CG-CG2 3.78Å; M424-V432 HydrophobicContact SD-CB 4.07Å; I430-V432 HydrophobicContact CG2-CG2 4.31Å
433	M	95.9	Very high	83.2	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	151.4	168	-71.2	-167.5	-166.4	0	0	110.8	V402 L403 L404 W585 T588 K589 Y595 Y600	V402-M433 PolarHBondContact O-N 2.83Å; L403-M433 HydrophobicContact CD2-CB 3.72Å; L404-M433 PolarHBondContact N-O 2.84Å; M433-W585 HydrophobicContact CB-CZ3 4.29Å; M433-W585 HydrophobicContact CE-CD2 4.03Å; M433-W585 HydrophobicContact CE-CE3 4.37Å; M433-W585 HydrophobicContact CE-CH2 3.97Å; M433-W585 HydrophobicContact CE-CZ2 3.61Å; M433-W585 HydrophobicContact CE-CZ3 4.33Å; M433-W585 HydrophobicContact CG-CE3 4.35Å; M433-W585 HydrophobicContact CG-CH2 4.07Å; M433-W585 HydrophobicContact CG-CZ3 3.91Å; M433-W585 HydrophobicContact SD-CD2 4.3Å; M433-W585 HydrophobicContact SD-CE3 4.23Å; M433-W585 HydrophobicContact SD-CZ3 4.33Å; M433-T588 HydrophobicContact CB-CG2 4.28Å; M433-T588 HydrophobicContact SD-CG2 3.62Å; M433-K589 HydrophobicContact CE-CB 4.03Å; M433-K589 HydrophobicContact CE-CG 4.4Å; M433-Y595 HydrophobicContact CB-CD2 4.42Å; M433-Y595 HydrophobicContact CB-CE2 3.95Å; M433-Y595 HydrophobicContact CE-CD2 4.46Å; M433-Y595 HydrophobicContact CE-CG 4.23Å; M433-Y595 HydrophobicContact CG-CD1 4.39Å; M433-Y595 HydrophobicContact CG-CD2 3.92Å; M433-Y595 HydrophobicContact CG-CE1 4.37Å; M433-Y595 HydrophobicContact CG-CE2 3.9Å; M433-Y595 HydrophobicContact CG-CG 4.18Å; M433-Y595 HydrophobicContact SD-CD2 3.68Å; M433-Y595 HydrophobicContact SD-CE2 4.17Å; M433-Y595 HydrophobicContact SD-CG 4.03Å; M433-Y600 HydrophobicContact CE-CD1 3.45Å; M433-Y600 VanDerWaalsContact CE-CD1 3.45Å; M433-Y600 HydrophobicContact CE-CE1 4.32Å; M433-Y600 HydrophobicContact CE-CG 3.63Å; M433-Y600 HydrophobicContact CG-CD1 3.93Å; M433-Y600 HydrophobicContact CG-CE1 3.92Å
434	R	94.3	Very high	82.2	Confident	16 Å²	16	42.6 Å²	42.6	6%	0.06	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	137.4	170.3	-53.5	-157.3	-78.1	136.9	-4.4	110	L404 K406 E407 E409 S416 D417 K420 K592 Y595	L404-R434 HydrophobicContact CB-CG 4.47Å; L404-R434 WeakPolarHBondContact O-CA 3.23Å; K406-R434 HydrophobicContact CB-CB 4.06Å; E407-R434 IonicContact OE2-NH1 3.63Å; E407-R434 PolarHBondContact OE2-NH1 2.65Å; E409-R434 IonicContact OE1-NH1 3.82Å; E409-R434 IonicContact OE1-NH2 3.49Å; S416-R434 WeakPolarHBondContact O-CD 3.32Å; S416-R434 WeakPolarHBondContact OG-CD 3.36Å; S416-R434 PolarHBondContact OG-NH1 2.83Å; D417-R434 VanDerWaalsContact CB-NH2 3.32Å; D417-R434 IonicContact OD1-CZ 2.73Å; D417-R434 IonicContact OD1-NE 3.42Å; D417-R434 PolarHBondContact OD1-NE 2.69Å; D417-R434 IonicContact OD1-NH2 3.1Å; D417-R434 PolarHBondContact OD1-NH2 3.15Å; K420-R434 HydrophobicContact CB-CG 4.5Å; K420-R434 HydrophobicContact CD-CG 4.09Å; R434-K592 PolarHBondContact O-NZ 3.37Å; R434-Y595 PolarHBondContact N-OH 2.79Å
435	H	91.8	Very high	81.5	Confident	16 Å²	16	45.2 Å²	45.2	7%	0.074	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	145.3	179.7	-167.2	-86	0	0	0	110.3	L404 Y405 K406 H448 T588 W635	L404-H435 PolarHBondContact O-N 2.91Å; L404-H435 VanDerWaalsContact O-N 3.15Å; Y405-H435 CarbonylContact C-O 3.48Å; Y405-H435 WeakPolarHBondContact CA-O 3.16Å; K406-H435 PolarHBondContact N-O 2.96Å; H435-H448 WeakPolarHBondContact CB-NE2 3.35Å; H435-H448 AromaticContact CG-NE2 3.46Å; H435-H448 AromaticContact ND1-CD2 3.94Å; H435-H448 AromaticContact ND1-CE1 3.62Å; H435-H448 AromaticContact ND1-NE2 2.86Å; H435-H448 PolarHBondContact ND1-NE2 3.15Å; H435-H448 PolarHBondContact O-CD2 3.39Å; H435-T588 HydrophobicContact CB-CG2 4.15Å; H435-W635 AromaticContact CE1-CE3 3.93Å; H435-W635 PolarHBondContact CE1-O 3.26Å; H435-W635 VanDerWaalsContact CE1-O 3.27Å; H435-W635 AromaticContact ND1-CZ3 3.86Å
436	P	89.1	Confident	81.2	Confident	3 Å²	3	41.6 Å²	41.6	2%	0.019	25%	0.245	C	C	.	.			cis	-71.7	-168.7	1.3	32	-36.4	0	0	0	114	K406 V444 K592 W635	K406-P436 VanDerWaalsContact CB-O 3.32Å; K406-P436 WeakPolarHBondContact CB-O 3.25Å; K406-P436 WeakPolarHBondContact CD-O 3.29Å; P436-V444 HydrophobicContact CB-CB 4.25Å; P436-V444 HydrophobicContact CB-CG2 4.26Å; P436-V444 HydrophobicContact CG-CB 4.02Å; P436-V444 HydrophobicContact CG-CG1 4.23Å; P436-K592 VanDerWaalsContact C-NZ 3.26Å; P436-K592 PolarHBondContact O-NZ 2.86Å; P436-W635 HydrophobicContact CB-CE3 4.46Å; P436-W635 HydrophobicContact CB-CZ3 4.1Å; P436-W635 HydrophobicContact CG-CZ3 4.24Å
437	D	82	Confident	81.1	Confident	70 Å²	70	39.6 Å²	39.6	37%	0.374	24%	0.235	S	C	.	.			trans	-119.2	119.4	156.6	-95.2	-33.7	0	0	0	107.9	K406 K592	K406-D437 WeakPolarHBondContact CD-OD1 3.42Å; K406-D437 IonicContact NZ-OD1 2.68Å; K406-D437 PolarHBondContact NZ-OD1 3.41Å; D437-K592 IonicContact OD1-NZ 2.78Å; D437-K592 PolarHBondContact OD1-NZ 2.99Å; D437-K592 VanDerWaalsContact OD1-NZ 3.17Å; D437-K592 WeakPolarHBondContact OD2-CD 3.46Å; D437-K592 WeakPolarHBondContact OD2-CE 3.41Å; D437-K592 IonicContact OD2-NZ 3.37Å; D437-K592 PolarHBondContact OD2-NZ 3.34Å
438	H	74.9	Confident	81.2	Confident	39 Å²	39	39.1 Å²	39.1	18%	0.181	23%	0.234	C	C	.	.			trans	-74.9	126.3	171.3	-48.5	-67.8	0	0	0	108.8	K406 V444	K406-H438 PolarHBondContact O-NE2 3.01Å; H438-V444 PolarHBondContact CE1-O 3.23Å; H438-V444 PolarHBondContact ND1-N 3.03Å
439	V	62	Low	81.5	Confident	79 Å²	79	38.8 Å²	38.8	48%	0.479	23%	0.23	S	C	.	.	B	Isolated β-bridge	trans	-107.4	153.5	172.3	-69.1	0	0	0	0	109.1	S441 T442	V439-S441 PolarHBondContact O-N 3.31Å; V439-T442 PolarHBondContact N-O 3.22Å; V439-T442 VanDerWaalsContact N-O 3.15Å; V439-T442 CarbonylContact O-C 3.59Å; V439-T442 VanDerWaalsContact O-C 3.28Å; V439-T442 PolarHBondContact O-N 2.75Å
440	S	50.1	Low	81.7	Confident	142 Å²	142	38.3 Å²	38.3	99%	0.993	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-17	-173.6	48.9	0	0	0	0	115
441	S	49.8	Very low	81.8	Confident	102 Å²	102	38.3 Å²	38.3	71%	0.713	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-9.9	173.9	61.9	0	0	0	0	114.5	V439	V439-S441 PolarHBondContact O-N 3.31Å
442	T	55.5	Low	81.9	Confident	85 Å²	85	38.2 Å²	38.2	52%	0.521	23%	0.227	S	C	.	.	B	Isolated β-bridge	trans	-159.6	105.3	-170.6	-44.1	0	0	0	0	110.7	V439	V439-T442 PolarHBondContact N-O 3.22Å; V439-T442 VanDerWaalsContact N-O 3.15Å; V439-T442 CarbonylContact O-C 3.59Å; V439-T442 VanDerWaalsContact O-C 3.28Å; V439-T442 PolarHBondContact O-N 2.75Å
443	V	61.7	Low	82	Confident	84 Å²	84	38.3 Å²	38.3	51%	0.509	23%	0.227	S	C	.	.			trans	-93.4	131.2	171.4	-179.1	0	0	0	0	108.6	V408 L445	V408-V443 HydrophobicContact CG2-CG1 3.96Å; V443-L445 HydrophobicContact CG1-CD2 4.42Å
444	V	73.6	Confident	82.1	Confident	38 Å²	38	38.3 Å²	38.3	23%	0.23	23%	0.227	C	C	.	.			trans	-87.5	118.7	170.6	178.3	0	0	0	0	107.2	P436 H438 W446 W635	P436-V444 HydrophobicContact CB-CB 4.25Å; P436-V444 HydrophobicContact CB-CG2 4.26Å; P436-V444 HydrophobicContact CG-CB 4.02Å; P436-V444 HydrophobicContact CG-CG1 4.23Å; H438-V444 PolarHBondContact CE1-O 3.23Å; H438-V444 PolarHBondContact ND1-N 3.03Å; V444-W446 HydrophobicContact CG1-CB 4.05Å; V444-W446 HydrophobicContact CG1-CG 4.49Å; V444-W446 PolarHBondContact O-N 3.48Å; V444-W635 HydrophobicContact CG1-CD2 4.36Å; V444-W635 HydrophobicContact CG1-CE3 4.21Å; V444-W635 HydrophobicContact CG1-CZ3 4.35Å
445	L	78.9	Confident	82.3	Confident	64 Å²	64	37.9 Å²	37.9	34%	0.335	23%	0.226	S	C	.	.			trans	-77.3	-12.9	-179.8	-57.2	179.3	0	0	0	113.2	V443 R800 P952 L955	V443-L445 HydrophobicContact CG1-CD2 4.42Å; L445-R800 PolarHBondContact O-NH1 3.17Å; L445-R800 PolarHBondContact O-NH2 3.49Å; L445-P952 HydrophobicContact CD1-CG 4.04Å; L445-L955 HydrophobicContact CB-CD1 4.18Å; L445-L955 HydrophobicContact CD2-CD1 4.48Å
446	W	88.9	Confident	82.4	Confident	40 Å²	40	37.6 Å²	37.6	15%	0.152	23%	0.225	C	C	.	.			trans	-92.4	149.4	-174.6	-47.8	139	0	0	0	112.7	V444 W635 S805 R806 D807 D954	V444-W446 HydrophobicContact CG1-CB 4.05Å; V444-W446 HydrophobicContact CG1-CG 4.49Å; V444-W446 PolarHBondContact O-N 3.48Å; W446-W635 HydrophobicContact CB-CH2 4.23Å; W446-W635 HydrophobicContact CB-CZ2 3.49Å; W446-W635 VanDerWaalsContact CB-CZ2 3.49Å; W446-W635 AromaticContact CD1-NE1 3.78Å; W446-S805 PolarHBondContact NE1-O 3.08Å; W446-R806 WeakPolarHBondContact CB-O 3.15Å; W446-R806 HydrophobicContact CD2-CB 3.79Å; W446-R806 HydrophobicContact CD2-CG 4.04Å; W446-R806 HydrophobicContact CE3-CB 3.8Å; W446-R806 HydrophobicContact CE3-CG 4.08Å; W446-R806 HydrophobicContact CG-CB 4.33Å; W446-R806 HydrophobicContact CH2-CB 4.4Å; W446-R806 HydrophobicContact CH2-CG 3.76Å; W446-R806 HydrophobicContact CZ2-CB 4.35Å; W446-R806 HydrophobicContact CZ2-CG 3.65Å; W446-R806 HydrophobicContact CZ3-CB 4.12Å; W446-R806 HydrophobicContact CZ3-CG 3.95Å; W446-D807 WeakPolarHBondContact CA-OD1 3.27Å; W446-D807 WeakPolarHBondContact CB-OD1 3.2Å; W446-D954 HydrophobicContact CH2-CB 3.98Å; W446-D954 WeakPolarHBondContact CH2-O 3.48Å; W446-D954 WeakPolarHBondContact CZ3-O 3.46Å
447	A	91.1	Very high	82.7	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.008	22%	0.224	C	C	.	.			trans	-111.4	165.4	-178.6	0	0	0	0	0	112.9	Y405 W635 D807 S808	Y405-A447 HydrophobicContact CD1-CB 4.2Å; Y405-A447 HydrophobicContact CD2-CB 3.88Å; Y405-A447 HydrophobicContact CE1-CB 3.98Å; Y405-A447 VanDerWaalsContact CE2-CA 3.49Å; Y405-A447 HydrophobicContact CE2-CB 3.66Å; Y405-A447 HydrophobicContact CG-CB 4.17Å; A447-W635 WeakPolarHBondContact O-CH2 3.49Å; A447-D807 VanDerWaalsContact N-CG 3.32Å; A447-D807 PolarHBondContact N-OD1 3.3Å; A447-D807 WeakPolarHBondContact O-CA 3.41Å; A447-D807 WeakPolarHBondContact O-CB 3.32Å; A447-S808 PolarHBondContact O-N 3.41Å; A447-S808 VanDerWaalsContact O-N 3.13Å
448	H	95.6	Very high	83.4	Confident	2 Å²	2	34.5 Å²	34.5	1%	0.009	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-92.3	108.7	158	-66	-46.6	0	0	0	106.5	H435 R584 W635 S808	H435-H448 WeakPolarHBondContact CB-NE2 3.35Å; H435-H448 AromaticContact CG-NE2 3.46Å; H435-H448 AromaticContact ND1-CD2 3.94Å; H435-H448 AromaticContact ND1-CE1 3.62Å; H435-H448 AromaticContact ND1-NE2 2.86Å; H435-H448 PolarHBondContact ND1-NE2 3.15Å; H435-H448 PolarHBondContact O-CD2 3.39Å; H448-R584 PolarHBondContact CD2-NH2 3.48Å; H448-R584 PolarHBondContact CE1-NH2 3.1Å; H448-R584 PolarHBondContact ND1-NH2 2.87Å; H448-R584 PolarHBondContact NE2-NH2 2.78Å; H448-W635 AromaticContact CE1-CH2 3.53Å; H448-W635 AromaticContact CE1-CZ3 3.44Å; H448-W635 VanDerWaalsContact CE1-CZ3 3.44Å; H448-W635 WeakPolarHBondContact CE1-CZ3 3.31Å; H448-W635 AromaticContact ND1-CH2 3.59Å; H448-W635 AromaticContact ND1-CZ3 3.99Å; H448-W635 AromaticContact NE2-CZ3 3.83Å; H448-S808 PolarHBondContact ND1-OG 2.86Å
449	H	96.7	Very high	84.4	Confident	18 Å²	18	32.8 Å²	32.8	8%	0.083	20%	0.201	C	C	.	.			trans	-109.4	-11.9	-170	-172	-113.3	0	0	0	112.3	W367 K451 S794 D807 S808 E809	W367-H449 AromaticContact CD1-CD2 3.95Å; H449-K451 PolarHBondContact CD2-NZ 2.97Å; H449-K451 PolarHBondContact NE2-NZ 3.12Å; H449-K451 VanDerWaalsContact O-CD 3.29Å; H449-K451 WeakPolarHBondContact O-CD 3.12Å; H449-K451 WeakPolarHBondContact O-CE 3.5Å; H449-K451 PolarHBondContact O-N 2.82Å; H449-K451 PolarHBondContact O-NZ 3.37Å; H449-S794 PolarHBondContact CE1-O 2.76Å; H449-S794 VanDerWaalsContact CE1-O 3.25Å; H449-S794 PolarHBondContact ND1-O 3.34Å; H449-D807 HydrophobicContact CB-CB 4.34Å; H449-S808 PolarHBondContact N-O 2.91Å; H449-E809 IonicContact CE1-OE1 2.73Å; H449-E809 IonicContact CG-OE1 2.7Å; H449-E809 IonicContact CG-OE2 3.36Å; H449-E809 VanDerWaalsContact ND1-CD 3.29Å; H449-E809 IonicContact ND1-OE1 3.58Å; H449-E809 PolarHBondContact ND1-OE1 2.86Å; H449-E809 IonicContact ND1-OE2 3.85Å; H449-E809 PolarHBondContact ND1-OE2 3.38Å
450	E	96.1	Very high	86.1	Confident	1 Å²	1	29 Å²	29	1%	0.005	18%	0.178	C	C	.	.			trans	-62.9	129.1	176.7	70.1	-98	-123.5	0	0	113.9	T365 H580 R584 S794 S808 L810	T365-E450 CarbonylContact C-O 3.56Å; T365-E450 WeakPolarHBondContact CB-O 3.21Å; T365-E450 HydrophobicContact CG2-CG 4.42Å; T365-E450 WeakPolarHBondContact OG1-CG 3.42Å; T365-E450 PolarHBondContact OG1-O 3.47Å; E450-H580 WeakPolarHBondContact CG-NE2 3.23Å; E450-H580 IonicContact OE1-CD2 2.77Å; E450-H580 IonicContact OE1-CE1 3.59Å; E450-H580 CovalentContact OE1-NE2 1.81Å; E450-H580 IonicContact OE1-NE2 3.5Å; E450-H580 PolarHBondContact OE1-NE2 2.96Å; E450-H580 IonicContact OE2-NE2 2.8Å; E450-R584 WeakPolarHBondContact OE1-CD 3.3Å; E450-R584 IonicContact OE1-CZ 2.74Å; E450-R584 IonicContact OE1-NE 2.85Å; E450-R584 PolarHBondContact OE1-NE 2.94Å; E450-R584 IonicContact OE1-NH1 3.97Å; E450-R584 PolarHBondContact OE1-NH1 2.88Å; E450-R584 IonicContact OE2-CZ 2.86Å; E450-R584 IonicContact OE2-NH1 3.63Å; E450-R584 PolarHBondContact OE2-NH1 2.83Å; E450-S794 WeakPolarHBondContact CA-OG 3.44Å; E450-S808 PolarHBondContact N-O 2.86Å; E450-S808 VanDerWaalsContact N-O 3.16Å; E450-S808 PolarHBondContact OE1-OG 3.2Å; E450-S808 WeakPolarHBondContact OE2-CB 3.31Å; E450-S808 VanDerWaalsContact OE2-O 3.06Å; E450-S808 PolarHBondContact OE2-OG 2.88Å; E450-L810 HydrophobicContact CB-CB 3.75Å
451	K	97.8	Very high	88.4	Confident	1 Å²	1	22.3 Å²	22.3	0%	0.004	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	117.5	171.7	-51.4	94.5	168.8	60.3	0	108.7	T365 H449 G463 G464 L465 D466	T365-K451 WeakPolarHBondContact O-CA 3.02Å; H449-K451 PolarHBondContact CD2-NZ 2.97Å; H449-K451 PolarHBondContact NE2-NZ 3.12Å; H449-K451 VanDerWaalsContact O-CD 3.29Å; H449-K451 WeakPolarHBondContact O-CD 3.12Å; H449-K451 WeakPolarHBondContact O-CE 3.5Å; H449-K451 PolarHBondContact O-N 2.82Å; H449-K451 PolarHBondContact O-NZ 3.37Å; K451-G463 WeakPolarHBondContact CD-O 3.44Å; K451-G463 PolarHBondContact O-N 3.09Å; K451-G464 VanDerWaalsContact CD-O 3.3Å; K451-G464 WeakPolarHBondContact CD-O 3.46Å; K451-G464 WeakPolarHBondContact CE-O 3.16Å; K451-L465 WeakPolarHBondContact CB-O 3.44Å; K451-D466 WeakPolarHBondContact CE-OD1 3.43Å; K451-D466 WeakPolarHBondContact CE-OD2 3.29Å; K451-D466 HydrophobicContact CG-CB 4.26Å; K451-D466 WeakPolarHBondContact CG-OD1 3.31Å; K451-D466 VanDerWaalsContact NZ-CG 3.3Å; K451-D466 IonicContact NZ-OD1 3.68Å; K451-D466 PolarHBondContact NZ-OD1 3.08Å; K451-D466 IonicContact NZ-OD2 3.82Å; K451-D466 PolarHBondContact NZ-OD2 3.12Å
452	M	97.7	Very high	90.8	Very high	2 Å²	2	17.5 Å²	17.5	1%	0.01	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	148.1	175.7	80.6	95	-141.5	0	0	112.8	F363 I364 T365 A454 F461 V462 V577 F581 L810	F363-M452 HydrophobicContact CB-CE 3.89Å; F363-M452 WeakPolarHBondContact O-CE 3.06Å; I364-M452 WeakPolarHBondContact CA-O 3.38Å; T365-M452 HydrophobicContact CG2-CE 3.99Å; T365-M452 HydrophobicContact CG2-CG 4.32Å; T365-M452 PolarHBondContact N-O 3.01Å; T365-M452 PolarHBondContact O-N 2.71Å; T365-M452 VanDerWaalsContact OG1-CG 3.3Å; T365-M452 WeakPolarHBondContact OG1-CG 3.4Å; T365-M452 PolarHBondContact OG1-N 2.89Å; M452-A454 HydrophobicContact SD-CB 3.98Å; M452-F461 CarbonylContact C-O 3.51Å; M452-F461 WeakPolarHBondContact CA-O 3.46Å; M452-F461 VanDerWaalsContact CB-O 3.31Å; M452-F461 WeakPolarHBondContact CB-O 3.27Å; M452-V462 HydrophobicContact CB-CG2 4.17Å; M452-V577 HydrophobicContact CB-CG1 4.3Å; M452-V577 HydrophobicContact CG-CG1 4.17Å; M452-V577 HydrophobicContact SD-CG1 3.53Å; M452-V577 VanDerWaalsContact SD-CG1 3.53Å; M452-F581 HydrophobicContact CE-CB 3.82Å; M452-F581 HydrophobicContact CE-CD2 3.48Å; M452-F581 VanDerWaalsContact CE-CD2 3.48Å; M452-F581 HydrophobicContact CE-CE2 4.22Å; M452-F581 HydrophobicContact CE-CG 3.8Å; M452-L810 HydrophobicContact CB-CD2 3.96Å; M452-L810 HydrophobicContact CG-CD2 4.21Å
453	V	98.6	Very high	92.7	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.006	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	116.2	169.8	-174.3	0	0	0	0	109.3	L351 L355 I362 F363 I364 I455 A460 F461 L467	L351-V453 HydrophobicContact CD1-CB 3.85Å; L351-V453 HydrophobicContact CD1-CG1 3.83Å; L351-V453 HydrophobicContact CD1-CG2 4.15Å; L351-V453 HydrophobicContact CD2-CG2 4.26Å; L355-V453 HydrophobicContact CD2-CG1 4.21Å; I362-V453 HydrophobicContact CG2-CG1 4.38Å; F363-V453 CarbonylContact O-C 3.54Å; F363-V453 VanDerWaalsContact O-CA 3.3Å; F363-V453 WeakPolarHBondContact O-CA 3.47Å; I364-V453 HydrophobicContact CG1-CG1 4.08Å; I364-V453 HydrophobicContact CG1-CG2 4.27Å; I364-V453 HydrophobicContact CG2-CG2 4.45Å; V453-I455 HydrophobicContact CG1-CD1 4.3Å; V453-I455 HydrophobicContact CG1-CG1 4.16Å; V453-A460 CarbonylContact O-C 3.6Å; V453-A460 VanDerWaalsContact O-CA 3.32Å; V453-A460 WeakPolarHBondContact O-CA 3.32Å; V453-F461 HydrophobicContact CB-CB 4.47Å; V453-F461 PolarHBondContact N-O 3Å; V453-F461 PolarHBondContact O-N 2.89Å; V453-L467 HydrophobicContact CG2-CD1 3.99Å; V453-L467 HydrophobicContact CG2-CD2 4.42Å; V453-L467 HydrophobicContact CG2-CG 4.47Å
454	A	98.1	Very high	94.2	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	130.3	175.9	0	0	0	0	0	110.9	F363 M452 V459 A460 A578	F363-A454 HydrophobicContact CB-CB 4.3Å; F363-A454 HydrophobicContact CD2-CB 4.48Å; F363-A454 PolarHBondContact N-O 3.38Å; F363-A454 PolarHBondContact O-N 3.14Å; M452-A454 HydrophobicContact SD-CB 3.98Å; A454-V459 WeakPolarHBondContact CA-O 3.49Å; A454-A460 HydrophobicContact CB-CB 4.05Å; A454-A578 HydrophobicContact CB-CB 4.29Å
455	I	97.7	Very high	95.4	Very high	7 Å²	7	7.6 Å²	7.6	4%	0.036	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	124	-170.9	-65.1	162.1	0	0	0	108.7	L351 A354 L355 A358 V453 Q457 T458 V459 F461	L351-I455 HydrophobicContact CD1-CD1 4.28Å; A354-I455 HydrophobicContact CB-CD1 3.58Å; L355-I455 HydrophobicContact CD2-CD1 3.95Å; L355-I455 HydrophobicContact CD2-CG1 4.22Å; L355-I455 HydrophobicContact CG-CD1 4.1Å; A358-I455 HydrophobicContact CB-CG2 3.59Å; V453-I455 HydrophobicContact CG1-CD1 4.3Å; V453-I455 HydrophobicContact CG1-CG1 4.16Å; I455-Q457 PolarHBondContact O-N 3.45Å; I455-T458 PolarHBondContact O-N 3.21Å; I455-T458 PolarHBondContact O-OG1 2.77Å; I455-V459 PolarHBondContact N-O 3.03Å; I455-V459 PolarHBondContact O-N 3.07Å; I455-F461 HydrophobicContact CD1-CE2 4.35Å
456	D	95.1	Very high	96.3	Very high	10 Å²	10	4.6 Å²	4.6	5%	0.053	2%	0.021	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.7	16.2	-175	-66.6	-23.9	0	0	0	115.5	K359 Q360 E361 T458 K606	K359-D456 PolarHBondContact N-OD1 3.05Å; K359-D456 PolarHBondContact N-OD2 3.09Å; Q360-D456 WeakPolarHBondContact CA-OD1 3.24Å; Q360-D456 WeakPolarHBondContact CB-OD1 3.35Å; Q360-D456 PolarHBondContact N-OD1 2.92Å; E361-D456 PolarHBondContact N-OD1 3.47Å; E361-D456 PolarHBondContact O-N 2.94Å; D456-T458 PolarHBondContact O-N 3.23Å; D456-K606 VanDerWaalsContact O-CE 3.3Å; D456-K606 WeakPolarHBondContact O-CE 3.06Å; D456-K606 PolarHBondContact O-NZ 3.22Å
457	Q	95.6	Very high	96.7	Very high	1 Å²	1	2.7 Å²	2.7	1%	0.005	1%	0.014	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	36.7	-168.4	-36.4	-176.3	24.2	0	0	112.4	E361 F363 I455 R575 A578 L604 K606	E361-Q457 PolarHBondContact OE2-NE2 2.87Å; F363-Q457 HydrophobicContact CE2-CG 3.9Å; F363-Q457 HydrophobicContact CZ-CG 4.48Å; I455-Q457 PolarHBondContact O-N 3.45Å; Q457-R575 HydrophobicContact CB-CG 4.25Å; Q457-R575 WeakPolarHBondContact O-CG 3.3Å; Q457-R575 PolarHBondContact O-NE 2.75Å; Q457-A578 HydrophobicContact CB-CB 3.94Å; Q457-A578 HydrophobicContact CG-CB 3.95Å; Q457-L604 PolarHBondContact NE2-O 3.1Å; Q457-K606 HydrophobicContact CB-CD 4.1Å; Q457-K606 HydrophobicContact CB-CG 4.4Å; Q457-K606 HydrophobicContact CG-CD 4.36Å; Q457-K606 HydrophobicContact CG-CG 4.44Å
458	T	95.2	Very high	96.9	Very high	8 Å²	8	2.8 Å²	2.8	5%	0.049	2%	0.015	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.8	-24.8	177.3	46.3	0	0	0	0	113.8	I455 D456 H570 G571 A574	I455-T458 PolarHBondContact O-N 3.21Å; I455-T458 PolarHBondContact O-OG1 2.77Å; D456-T458 PolarHBondContact O-N 3.23Å; T458-H570 CarbonylContact O-C 3.58Å; T458-H570 WeakPolarHBondContact O-CA 3.37Å; T458-G571 PolarHBondContact O-N 3.49Å; T458-A574 WeakPolarHBondContact O-CB 3.18Å
459	V	97.1	Very high	96.9	Very high	3 Å²	3	2.9 Å²	2.9	2%	0.018	2%	0.015	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	139.5	171.2	-172.3	0	0	0	0	108.5	A454 I455 F461 V569 F616 V618	A454-V459 WeakPolarHBondContact CA-O 3.49Å; I455-V459 PolarHBondContact N-O 3.03Å; I455-V459 PolarHBondContact O-N 3.07Å; V459-F461 HydrophobicContact CG1-CD2 4.44Å; V459-F461 HydrophobicContact CG1-CE2 3.93Å; V459-V569 WeakPolarHBondContact CA-O 3.3Å; V459-F616 HydrophobicContact CG2-CD1 4.32Å; V459-V618 HydrophobicContact CG1-CG2 4.01Å
460	A	98.2	Very high	96.7	Very high	0 Å²	0	2 Å²	2	0%	0	1%	0.012	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	134.8	175.1	0	0	0	0	0	112	V453 A454 A568 V569 A574 V577	V453-A460 CarbonylContact O-C 3.6Å; V453-A460 VanDerWaalsContact O-CA 3.32Å; V453-A460 WeakPolarHBondContact O-CA 3.32Å; A454-A460 HydrophobicContact CB-CB 4.05Å; A460-A568 CarbonylContact O-C 3.57Å; A460-A568 WeakPolarHBondContact O-CA 3.48Å; A460-V569 HydrophobicContact CB-CG2 4.12Å; A460-V569 PolarHBondContact N-O 2.95Å; A460-V569 PolarHBondContact O-N 3.31Å; A460-A574 HydrophobicContact CB-CB 3.91Å; A460-V577 HydrophobicContact CB-CB 3.84Å; A460-V577 HydrophobicContact CB-CG1 3.82Å; A460-V577 HydrophobicContact CB-CG2 4.18Å
461	F	98.6	Very high	96.7	Very high	0 Å²	0	2.5 Å²	2.5	0%	0	1%	0.013	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	135.8	174.3	-67.3	-105.7	0	0	0	108.8	Y341 Y347 D350 L351 A354 M452 V453 I455 V459 T567 A568 V618	Y341-F461 HydrophobicContact CE2-CD1 4.34Å; Y341-F461 HydrophobicContact CE2-CE1 4.3Å; Y341-F461 WeakPolarHBondContact OH-CE1 3.41Å; Y347-F461 AromaticContact CD2-CD1 3.98Å; Y347-F461 HydrophobicContact CD2-CD1 3.98Å; Y347-F461 HydrophobicContact CE2-CB 3.91Å; Y347-F461 AromaticContact CE2-CD1 3.76Å; Y347-F461 HydrophobicContact CE2-CD1 3.76Å; Y347-F461 HydrophobicContact CE2-CG 4.31Å; D350-F461 HydrophobicContact CB-CE1 4.36Å; L351-F461 HydrophobicContact CB-CD1 4.28Å; L351-F461 HydrophobicContact CB-CE1 3.96Å; L351-F461 HydrophobicContact CB-CZ 4.13Å; L351-F461 HydrophobicContact CD1-CD1 4.42Å; L351-F461 HydrophobicContact CD1-CD2 3.72Å; L351-F461 HydrophobicContact CD1-CE2 3.89Å; L351-F461 HydrophobicContact CD1-CG 4.03Å; L351-F461 HydrophobicContact CD1-CZ 4.3Å; A354-F461 HydrophobicContact CB-CE2 3.87Å; A354-F461 HydrophobicContact CB-CZ 4.09Å; M452-F461 CarbonylContact C-O 3.51Å; M452-F461 WeakPolarHBondContact CA-O 3.46Å; M452-F461 VanDerWaalsContact CB-O 3.31Å; M452-F461 WeakPolarHBondContact CB-O 3.27Å; V453-F461 HydrophobicContact CB-CB 4.47Å; V453-F461 PolarHBondContact N-O 3Å; V453-F461 PolarHBondContact O-N 2.89Å; I455-F461 HydrophobicContact CD1-CE2 4.35Å; V459-F461 HydrophobicContact CG1-CD2 4.44Å; V459-F461 HydrophobicContact CG1-CE2 3.93Å; F461-T567 CarbonylContact C-O 3.56Å; F461-T567 WeakPolarHBondContact CA-O 3.37Å; F461-A568 HydrophobicContact CD1-CB 3.92Å; F461-A568 HydrophobicContact CE1-CB 3.93Å; F461-A568 HydrophobicContact CG-CB 4.31Å; F461-A568 HydrophobicContact CZ-CB 4.31Å; F461-V618 HydrophobicContact CZ-CG2 4.1Å
462	V	98.4	Very high	96.7	Very high	1 Å²	1	2.8 Å²	2.8	1%	0.006	1%	0.014	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	138.7	-178	-178.4	0	0	0	0	110	M452 T567 V577 L810 V812	M452-V462 HydrophobicContact CB-CG2 4.17Å; V462-T567 HydrophobicContact CB-CG2 4.49Å; V462-T567 PolarHBondContact N-O 3.28Å; V462-T567 PolarHBondContact O-N 3.01Å; V462-V577 HydrophobicContact CG2-CG1 4.1Å; V462-V577 HydrophobicContact CG2-CG2 3.9Å; V462-L810 HydrophobicContact CB-CD2 4.49Å; V462-L810 HydrophobicContact CG1-CB 4.27Å; V462-L810 HydrophobicContact CG1-CD2 3.86Å; V462-L810 HydrophobicContact CG1-CG 3.99Å; V462-L810 HydrophobicContact CG2-CD2 3.76Å; V462-V812 HydrophobicContact CB-CG2 4.21Å; V462-V812 HydrophobicContact CG1-CG2 4.29Å; V462-V812 HydrophobicContact CG2-CG2 4.36Å
463	G	96.1	Very high	96.7	Very high	0 Å²	0	2.7 Å²	2.7	0%	0	1%	0.014	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168	-153.2	175	0	0	0	0	0	114.3	K451 G793	K451-G463 WeakPolarHBondContact CD-O 3.44Å; K451-G463 PolarHBondContact O-N 3.09Å; G463-G793 CarbonylContact C-O 3.52Å; G463-G793 CarbonylContact O-C 3.58Å
464	G	94	Very high	96.6	Very high	0 Å²	0	3 Å²	3	0%	0	2%	0.015	C	C	.	.	S	Bend	trans	-85.3	-17.3	174.7	0	0	0	0	0	114.8	K451 D466 D564 L565 H779 G793	K451-G464 VanDerWaalsContact CD-O 3.3Å; K451-G464 WeakPolarHBondContact CD-O 3.46Å; K451-G464 WeakPolarHBondContact CE-O 3.16Å; G464-D466 PolarHBondContact O-N 3.41Å; G464-D564 VanDerWaalsContact CA-OD1 3.25Å; G464-D564 WeakPolarHBondContact CA-OD1 3.14Å; G464-L565 PolarHBondContact N-O 3.08Å; G464-H779 PolarHBondContact O-CE1 3.14Å; G464-H779 PolarHBondContact O-ND1 2.89Å; G464-G793 PolarHBondContact N-O 2.73Å
465	L	97.6	Very high	96.3	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	4%	0.043	C	C	.	.			trans	-77.9	103.1	-173.8	-70.6	167.8	0	0	0	113.3	Y347 F348 K451 R471 D564	Y347-L465 HydrophobicContact CD1-CB 4.03Å; Y347-L465 HydrophobicContact CD1-CD1 3.42Å; Y347-L465 VanDerWaalsContact CD1-CD1 3.42Å; Y347-L465 HydrophobicContact CD1-CG 4.36Å; Y347-L465 HydrophobicContact CD2-CD1 4.22Å; Y347-L465 HydrophobicContact CE1-CB 3.68Å; Y347-L465 HydrophobicContact CE1-CD1 3.96Å; Y347-L465 HydrophobicContact CE1-CG 4.48Å; Y347-L465 HydrophobicContact CG-CD1 3.56Å; F348-L465 HydrophobicContact CE2-CD2 4.41Å; F348-L465 HydrophobicContact CZ-CB 4.42Å; F348-L465 HydrophobicContact CZ-CD2 4.43Å; K451-L465 WeakPolarHBondContact CB-O 3.44Å; L465-R471 HydrophobicContact CD2-CB 3.98Å; L465-R471 HydrophobicContact CD2-CG 4.23Å; L465-D564 HydrophobicContact CD1-CB 4.39Å; L465-D564 HydrophobicContact CD2-CB 3.51Å; L465-D564 HydrophobicContact CG-CB 3.71Å; L465-D564 PolarHBondContact N-OD2 3.46Å
466	D	97.6	Very high	96.1	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.005	7%	0.067	C	C	.	.			trans	-65.7	151.9	163.8	-64.7	-70	0	0	0	110.7	D366 W367 W368 K451 G464 A468 R471	D366-D466 WeakPolarHBondContact OD1-CA 3.43Å; W367-D466 WeakPolarHBondContact CB-OD1 3.37Å; W367-D466 PolarHBondContact N-OD1 3.15Å; W367-D466 VanDerWaalsContact N-OD1 3.1Å; W368-D466 WeakPolarHBondContact O-CB 3.43Å; K451-D466 WeakPolarHBondContact CE-OD1 3.43Å; K451-D466 WeakPolarHBondContact CE-OD2 3.29Å; K451-D466 HydrophobicContact CG-CB 4.26Å; K451-D466 WeakPolarHBondContact CG-OD1 3.31Å; K451-D466 VanDerWaalsContact NZ-CG 3.3Å; K451-D466 IonicContact NZ-OD1 3.68Å; K451-D466 PolarHBondContact NZ-OD1 3.08Å; K451-D466 IonicContact NZ-OD2 3.82Å; K451-D466 PolarHBondContact NZ-OD2 3.12Å; G464-D466 PolarHBondContact O-N 3.41Å; D466-A468 HydrophobicContact CB-CB 3.87Å; D466-A468 PolarHBondContact O-N 3.48Å; D466-R471 IonicContact OD2-CZ 2.74Å; D466-R471 IonicContact OD2-NE 3.22Å; D466-R471 IonicContact OD2-NH2 2.89Å; D466-R471 PolarHBondContact OD2-NH2 3.06Å
467	L	97.8	Very high	96.1	Very high	0 Å²	0	15 Å²	15	0%	0	6%	0.064	C	C	.	.	S	Bend	trans	-75.8	54.9	167.9	-55.4	-168.5	0	0	0	111.6	F348 L351 I364 D366 L369 S370 I373 L386 V453	F348-L467 HydrophobicContact CD1-CD2 4.38Å; F348-L467 HydrophobicContact CE1-CD2 3.86Å; L351-L467 HydrophobicContact CD2-CD2 3.7Å; I364-L467 HydrophobicContact CD1-CD1 4.23Å; I364-L467 HydrophobicContact CG2-CD1 3.96Å; D366-L467 PolarHBondContact OD1-N 2.83Å; L369-L467 WeakPolarHBondContact CA-O 3.35Å; L369-L467 HydrophobicContact CG-CB 4.19Å; S370-L467 PolarHBondContact N-O 2.82Å; I373-L467 HydrophobicContact CD1-CB 4.2Å; L386-L467 HydrophobicContact CD1-CD1 4.16Å; L386-L467 HydrophobicContact CD2-CB 3.94Å; L386-L467 HydrophobicContact CD2-CD1 3.89Å; V453-L467 HydrophobicContact CG2-CD1 3.99Å; V453-L467 HydrophobicContact CG2-CD2 4.42Å; V453-L467 HydrophobicContact CG2-CG 4.47Å
468	A	95.8	Very high	96.1	Very high	2 Å²	2	17.8 Å²	17.8	2%	0.017	8%	0.075	C	C	.	.	S	Bend	trans	-129.7	164.9	-170.1	0	0	0	0	0	114.3	W368 S370 D466	W368-A468 HydrophobicContact CB-CB 4.31Å; W368-A468 HydrophobicContact CD2-CB 3.75Å; W368-A468 HydrophobicContact CE3-CB 3.59Å; W368-A468 HydrophobicContact CG-CB 4.09Å; W368-A468 HydrophobicContact CZ3-CB 4.16Å; W368-A468 WeakPolarHBondContact O-CB 3.28Å; S370-A468 WeakPolarHBondContact OG-CA 3.49Å; D466-A468 HydrophobicContact CB-CB 3.87Å; D466-A468 PolarHBondContact O-N 3.48Å
469	F	94.7	Very high	96	Very high	4 Å²	4	17.4 Å²	17.4	2%	0.018	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	144.4	174.3	-65.9	-49.7	0	0	0	113.1	W368 S370 I373 R471 K530 D531 W540 L543 P546	W368-F469 HydrophobicContact CH2-CB 3.96Å; W368-F469 HydrophobicContact CH2-CD2 4.09Å; W368-F469 AromaticContact CZ2-CD2 3.95Å; W368-F469 HydrophobicContact CZ2-CD2 3.95Å; S370-F469 VanDerWaalsContact OG-CD2 3.26Å; S370-F469 WeakPolarHBondContact OG-CD2 3.14Å; S370-F469 PolarHBondContact OG-N 3.24Å; S370-F469 VanDerWaalsContact OG-N 3.15Å; I373-F469 HydrophobicContact CG2-CD1 3.59Å; I373-F469 HydrophobicContact CG2-CE1 3.7Å; I373-F469 HydrophobicContact CG2-CG 4.42Å; F469-R471 VanDerWaalsContact C-N 3.26Å; F469-R471 VanDerWaalsContact O-CD 3.31Å; F469-R471 WeakPolarHBondContact O-CD 3.38Å; F469-R471 PolarHBondContact O-N 3.37Å; F469-R471 PolarHBondContact O-NH1 2.92Å; F469-R471 VanDerWaalsContact O-NH1 3.09Å; F469-K530 HydrophobicContact CD2-CB 4.13Å; F469-K530 HydrophobicContact CE2-CB 4.1Å; F469-K530 HydrophobicContact CZ-CB 4.47Å; F469-D531 VanDerWaalsContact CA-OD1 3.31Å; F469-D531 WeakPolarHBondContact CA-OD1 3.26Å; F469-D531 HydrophobicContact CD1-CB 3.73Å; F469-D531 HydrophobicContact CE1-CB 4.39Å; F469-W540 HydrophobicContact CB-CZ2 4.41Å; F469-L543 HydrophobicContact CD2-CD2 3.92Å; F469-L543 HydrophobicContact CE2-CD2 3.96Å; F469-P546 HydrophobicContact CZ-CB 3.93Å
470	G	93.5	Very high	95.8	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.01	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.1	-10.5	176.4	0	0	0	0	0	115.8	D531 W562	G470-D531 PolarHBondContact N-OD1 3.13Å; G470-W562 WeakPolarHBondContact O-CB 3.27Å
471	R	96.4	Very high	95.5	Very high	10 Å²	10	19 Å²	19	4%	0.038	8%	0.084	C	C	.	.			trans	-75.1	-22.2	-178.8	-84.9	61.4	168.4	174.5	1.6	114.2	F348 L465 D466 F469 D473 W562	F348-R471 HydrophobicContact CE2-CB 4.09Å; F348-R471 HydrophobicContact CZ-CB 3.89Å; L465-R471 HydrophobicContact CD2-CB 3.98Å; L465-R471 HydrophobicContact CD2-CG 4.23Å; D466-R471 IonicContact OD2-CZ 2.74Å; D466-R471 IonicContact OD2-NE 3.22Å; D466-R471 IonicContact OD2-NH2 2.89Å; D466-R471 PolarHBondContact OD2-NH2 3.06Å; F469-R471 VanDerWaalsContact C-N 3.26Å; F469-R471 VanDerWaalsContact O-CD 3.31Å; F469-R471 WeakPolarHBondContact O-CD 3.38Å; F469-R471 PolarHBondContact O-N 3.37Å; F469-R471 PolarHBondContact O-NH1 2.92Å; F469-R471 VanDerWaalsContact O-NH1 3.09Å; R471-D473 PolarHBondContact O-N 3.38Å; R471-W562 HydrophobicContact CG-CD2 4.43Å; R471-W562 HydrophobicContact CG-CZ2 3.8Å
472	W	97.6	Very high	94.8	Very high	7 Å²	7	20.4 Å²	20.4	3%	0.027	9%	0.092	C	C	.	.			trans	-77.4	124.7	178.4	-170	104.3	0	0	0	109.8	K345 F348 R377 L526 W527	K345-W472 HydrophobicContact CB-CZ2 3.95Å; K345-W472 HydrophobicContact CD-CH2 4.34Å; K345-W472 HydrophobicContact CD-CZ2 3.99Å; K345-W472 HydrophobicContact CG-CZ2 3.8Å; F348-W472 HydrophobicContact CD2-CB 4.16Å; F348-W472 AromaticContact CD2-CD1 3.65Å; F348-W472 HydrophobicContact CD2-CG 4.25Å; F348-W472 HydrophobicContact CE2-CB 4.13Å; R377-W472 HydrophobicContact CB-CH2 4.32Å; R377-W472 HydrophobicContact CB-CZ2 3.79Å; R377-W472 HydrophobicContact CG-CD2 4.31Å; R377-W472 HydrophobicContact CG-CZ2 4.13Å; R377-W472 VanDerWaalsContact CZ-CG 3.4Å; R377-W472 VanDerWaalsContact NH2-CB 3.3Å; W472-L526 HydrophobicContact CH2-CD1 4.39Å; W472-L526 HydrophobicContact CH2-CD2 4.12Å; W472-L526 HydrophobicContact CZ3-CB 4.37Å; W472-L526 HydrophobicContact CZ3-CD1 4.29Å; W472-L526 HydrophobicContact CZ3-CD2 4.47Å; W472-W527 AromaticContact CE3-CE2 3.89Å; W472-W527 AromaticContact CE3-CZ2 3.84Å; W472-W527 HydrophobicContact CE3-CZ2 3.84Å; W472-W527 AromaticContact CE3-NE1 3.88Å; W472-W527 HydrophobicContact CZ3-CH2 4.26Å; W472-W527 AromaticContact CZ3-CZ2 3.78Å; W472-W527 HydrophobicContact CZ3-CZ2 3.78Å; W472-W527 PolarHBondContact O-NE1 3.18Å
473	D	97.6	Very high	93.7	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.1	C	C	.	.			trans	-156	168.8	171.8	-141.2	-29.8	0	0	0	109.8	N343 G344 K345 R471 R559 P561 W562	N343-D473 WeakPolarHBondContact CB-O 3.37Å; G344-D473 PolarHBondContact N-O 2.89Å; K345-D473 WeakPolarHBondContact CB-O 3.31Å; K345-D473 PolarHBondContact N-O 3.26Å; R471-D473 PolarHBondContact O-N 3.38Å; D473-R559 IonicContact OD1-NH1 2.65Å; D473-R559 PolarHBondContact OD1-NH1 3.27Å; D473-R559 IonicContact OD2-CZ 3.17Å; D473-R559 VanDerWaalsContact OD2-CZ 3.24Å; D473-R559 IonicContact OD2-NH1 3.63Å; D473-R559 PolarHBondContact OD2-NH1 3.07Å; D473-R559 IonicContact OD2-NH2 2.78Å; D473-R559 PolarHBondContact OD2-NH2 3.44Å; D473-P561 WeakPolarHBondContact OD2-CA 2.8Å; D473-P561 WeakPolarHBondContact OD2-CB 3.48Å; D473-W562 HydrophobicContact CB-CB 4.47Å; D473-W562 VanDerWaalsContact CB-O 3.24Å; D473-W562 WeakPolarHBondContact CB-O 3.48Å; D473-W562 PolarHBondContact OD2-N 2.7Å
474	D	95.5	Very high	92	Very high	7 Å²	7	28.1 Å²	28.1	4%	0.037	13%	0.132	C	C	.	.			trans	-131.4	-178.3	170.7	72.8	26.2	0	0	0	112.3	K345 E476 Y477 R478	K345-D474 HydrophobicContact CB-CB 3.93Å; K345-D474 HydrophobicContact CD-CB 3.39Å; K345-D474 HydrophobicContact CG-CB 4.34Å; K345-D474 IonicContact NZ-OD2 2.7Å; K345-D474 PolarHBondContact NZ-OD2 3.03Å; D474-E476 PolarHBondContact O-N 3.04Å; D474-E476 WeakPolarHBondContact OD1-CB 3.28Å; D474-E476 PolarHBondContact OD1-N 3.3Å; D474-E476 VanDerWaalsContact OD1-N 3.08Å; D474-Y477 WeakPolarHBondContact O-CD1 3.4Å; D474-Y477 PolarHBondContact O-N 2.52Å; D474-R478 IonicContact OD1-CZ 3.59Å; D474-R478 IonicContact OD1-NH1 3.67Å; D474-R478 PolarHBondContact OD1-NH1 3.41Å; D474-R478 VanDerWaalsContact OD1-NH1 3.17Å; D474-R478 IonicContact OD1-NH2 2.77Å; D474-R478 PolarHBondContact OD1-NH2 3.44Å; D474-R478 IonicContact OD2-CZ 3.2Å; D474-R478 IonicContact OD2-NH1 2.64Å; D474-R478 PolarHBondContact OD2-NH1 3.47Å; D474-R478 IonicContact OD2-NH2 3.6Å; D474-R478 PolarHBondContact OD2-NH2 3.16Å
475	R	93.1	Very high	89.7	Confident	154 Å²	154	31.4 Å²	31.4	58%	0.581	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-7.4	-174	68.2	-176	178	-161.1	-1	115.2	V845	R475-V845 HydrophobicContact CB-CG2 4.29Å
476	E	92	Very high	87.2	Confident	114 Å²	114	36 Å²	36	53%	0.533	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-16.2	174.3	-66.9	165.1	-128.2	0	0	112.7	D474 R478	D474-E476 PolarHBondContact O-N 3.04Å; D474-E476 WeakPolarHBondContact OD1-CB 3.28Å; D474-E476 PolarHBondContact OD1-N 3.3Å; D474-E476 VanDerWaalsContact OD1-N 3.08Å; E476-R478 VanDerWaalsContact C-N 3.29Å; E476-R478 HydrophobicContact CB-CG 3.89Å; E476-R478 PolarHBondContact O-N 3.47Å; E476-R478 IonicContact OE1-CZ 3.53Å; E476-R478 IonicContact OE1-NH2 3.59Å; E476-R478 PolarHBondContact OE1-NH2 2.88Å; E476-R478 IonicContact OE2-CZ 2.7Å; E476-R478 IonicContact OE2-NE 3.33Å; E476-R478 PolarHBondContact OE2-NE 2.76Å; E476-R478 IonicContact OE2-NH2 3.76Å; E476-R478 PolarHBondContact OE2-NH2 3.13Å
477	Y	95.5	Very high	84.3	Confident	1 Å²	1	42.6 Å²	42.6	0%	0.004	21%	0.213	C	C	.	.			trans	47.2	46.6	175.4	-62	-67.3	0	0	0	114	N343 D474 L479 P561 R563 I776 V845 L926	N343-Y477 PolarHBondContact ND2-OH 3.2Å; N343-Y477 WeakPolarHBondContact OD1-CE1 3.25Å; N343-Y477 PolarHBondContact OD1-OH 3.38Å; D474-Y477 WeakPolarHBondContact O-CD1 3.4Å; D474-Y477 PolarHBondContact O-N 2.52Å; Y477-L479 PolarHBondContact O-N 3.25Å; Y477-P561 HydrophobicContact CD1-CB 3.9Å; Y477-P561 HydrophobicContact CG-CB 4.25Å; Y477-P561 VanDerWaalsContact O-CG 3.25Å; Y477-P561 WeakPolarHBondContact O-CG 3.25Å; Y477-R563 HydrophobicContact CE1-CB 3.83Å; Y477-R563 HydrophobicContact CE1-CG 4.37Å; Y477-R563 WeakPolarHBondContact OH-CD 3.3Å; Y477-R563 WeakPolarHBondContact OH-CG 3.26Å; Y477-R563 PolarHBondContact OH-NH1 3.47Å; Y477-I776 HydrophobicContact CD1-CD1 4.37Å; Y477-I776 HydrophobicContact CD1-CG2 3.92Å; Y477-I776 HydrophobicContact CD2-CD1 3.71Å; Y477-I776 HydrophobicContact CE1-CG2 4.01Å; Y477-I776 HydrophobicContact CE2-CD1 4.35Å; Y477-I776 HydrophobicContact CG-CD1 3.7Å; Y477-I776 HydrophobicContact CG-CG1 4.27Å; Y477-I776 HydrophobicContact CG-CG2 4.33Å; Y477-V845 HydrophobicContact CE2-CG1 3.94Å; Y477-L926 HydrophobicContact CD2-CD1 3.48Å; Y477-L926 VanDerWaalsContact CD2-CD1 3.48Å; Y477-L926 HydrophobicContact CE2-CD1 3.45Å; Y477-L926 VanDerWaalsContact CE2-CD1 3.45Å
478	R	95.1	Very high	81.4	Confident	60 Å²	60	49.1 Å²	49.1	23%	0.226	25%	0.248	C	C	.	.			trans	-63.5	132.1	-167.3	-50.1	-179.6	-165.1	81.8	2.4	111.6	D474 E476 W527 R559	D474-R478 IonicContact OD1-CZ 3.59Å; D474-R478 IonicContact OD1-NH1 3.67Å; D474-R478 PolarHBondContact OD1-NH1 3.41Å; D474-R478 VanDerWaalsContact OD1-NH1 3.17Å; D474-R478 IonicContact OD1-NH2 2.77Å; D474-R478 PolarHBondContact OD1-NH2 3.44Å; D474-R478 IonicContact OD2-CZ 3.2Å; D474-R478 IonicContact OD2-NH1 2.64Å; D474-R478 PolarHBondContact OD2-NH1 3.47Å; D474-R478 IonicContact OD2-NH2 3.6Å; D474-R478 PolarHBondContact OD2-NH2 3.16Å; E476-R478 VanDerWaalsContact C-N 3.29Å; E476-R478 HydrophobicContact CB-CG 3.89Å; E476-R478 PolarHBondContact O-N 3.47Å; E476-R478 IonicContact OE1-CZ 3.53Å; E476-R478 IonicContact OE1-NH2 3.59Å; E476-R478 PolarHBondContact OE1-NH2 2.88Å; E476-R478 IonicContact OE2-CZ 2.7Å; E476-R478 IonicContact OE2-NE 3.33Å; E476-R478 PolarHBondContact OE2-NE 2.76Å; E476-R478 IonicContact OE2-NH2 3.76Å; E476-R478 PolarHBondContact OE2-NH2 3.13Å; R478-W527 HydrophobicContact CB-CH2 4.01Å; R478-W527 HydrophobicContact CB-CZ3 4.21Å; R478-R559 WeakPolarHBondContact O-CD 3.31Å; R478-R559 WeakPolarHBondContact O-CG 3.32Å; R478-R559 PolarHBondContact O-NH1 3.21Å
479	L	94.8	Very high	78.5	Confident	1 Å²	1	55.7 Å²	55.7	1%	0.005	28%	0.282	C	S	.	.	S	Bend	trans	-83.9	-21.3	178.8	-64.2	-172.3	0	0	0	114.2	Y477 Y532 P558 R559 P561 T763 V772 E774	Y477-L479 PolarHBondContact O-N 3.25Å; L479-Y532 PolarHBondContact O-OH 2.99Å; L479-P558 HydrophobicContact CB-CB 3.91Å; L479-P558 VanDerWaalsContact O-CA 3.29Å; L479-P558 WeakPolarHBondContact O-CA 3.22Å; L479-R559 PolarHBondContact O-N 2.93Å; L479-P561 HydrophobicContact CD2-CG 3.55Å; L479-T763 HydrophobicContact CD1-CG2 4.18Å; L479-T763 HydrophobicContact CD2-CG2 3.67Å; L479-T763 HydrophobicContact CG-CG2 3.89Å; L479-V772 HydrophobicContact CD1-CG2 4.18Å; L479-E774 HydrophobicContact CD2-CB 3.84Å
480	A	92.7	Very high	75.5	Confident	24 Å²	24	59 Å²	59	20%	0.198	32%	0.317	C	S	.	.			trans	-127.3	149.2	-172.8	0	0	0	0	0	111.6	L767	A480-L767 HydrophobicContact CB-CD1 3.79Å
481	D	90.6	Very high	72.8	Confident	11 Å²	11	65.9 Å²	65.9	6%	0.059	35%	0.354	C	S	.	.			trans	-148.7	57.6	-176.9	-173.5	40.1	0	0	0	111.3	G483 K525 L526 W527 Y532 R554	D481-G483 VanDerWaalsContact C-N 3.3Å; D481-K525 WeakPolarHBondContact OD1-CA 3.48Å; D481-L526 PolarHBondContact OD1-N 3.22Å; D481-L526 PolarHBondContact OD2-N 3.17Å; D481-L526 VanDerWaalsContact OD2-N 3.13Å; D481-W527 HydrophobicContact CB-CE3 3.82Å; D481-W527 HydrophobicContact CB-CZ3 4.29Å; D481-W527 PolarHBondContact OD2-N 3.1Å; D481-Y532 HydrophobicContact CB-CD2 3.96Å; D481-Y532 HydrophobicContact CB-CE2 3.86Å; D481-R554 PolarHBondContact O-NH1 3.45Å; D481-R554 IonicContact OD2-CZ 2.73Å; D481-R554 IonicContact OD2-NH1 3.4Å; D481-R554 PolarHBondContact OD2-NH1 3.03Å
482	L	84.1	Confident	69.6	Low	31 Å²	31	71.4 Å²	71.4	16%	0.162	39%	0.389	C	S	.	.			trans	-77.9	-14.9	179.9	-57.3	-179.3	0	0	0	112.9	E486 K525 R554 T555 L767	L482-E486 VanDerWaalsContact O-OE2 3.1Å; L482-K525 WeakPolarHBondContact O-CE 3.31Å; L482-K525 PolarHBondContact O-NZ 2.98Å; L482-R554 HydrophobicContact CD2-CG 4.36Å; L482-R554 WeakPolarHBondContact CD2-O 3.4Å; L482-T555 HydrophobicContact CD2-CG2 4.26Å; L482-L767 HydrophobicContact CD1-CD1 4.31Å; L482-L767 HydrophobicContact CD2-CD1 4.31Å; L482-L767 HydrophobicContact CG-CD1 4.4Å
483	G	76	Confident	66.6	Low	17 Å²	17	75 Å²	75	18%	0.175	43%	0.428	C	S	.	.	H	α-helix	trans	69.4	171.3	-174	0	0	0	0	0	113.1	D481 M487 T524	D481-G483 VanDerWaalsContact C-N 3.3Å; G483-M487 WeakPolarHBondContact O-CG 3.4Å; G483-T524 WeakPolarHBondContact CA-OG1 3.3Å
484	Q	59.3	Low	63.3	Low	145 Å²	145	83.5 Å²	83.5	68%	0.678	47%	0.468	S	S	*	.	H	α-helix	trans	-78.7	-26.6	-172.3	-67.7	-179.3	-17.2	0	0	113.8	T524	Q484-T524 HydrophobicContact CB-CG2 4.29Å; Q484-T524 HydrophobicContact CG-CG2 4.21Å; Q484-T524 PolarHBondContact N-OG1 2.94Å
485	A	46.5	Very low	60.5	Low	69 Å²	69	92.1 Å²	92.1	57%	0.57	51%	0.508	S	S	*	.	H	α-helix	trans	-74.3	-30.1	-175.1	0	0	0	0	0	113.9
486	E	44.7	Very low	57.6	Low	98 Å²	98	90.6 Å²	90.6	46%	0.458	52%	0.517	S	S	.	.	H	α-helix	trans	-77.9	-25.4	178.5	-79.1	151.5	-139	0	0	111.9	L482 L488 K525	L482-E486 VanDerWaalsContact O-OE2 3.1Å; E486-L488 PolarHBondContact O-N 3.35Å; E486-K525 IonicContact OE1-NZ 3.27Å; E486-K525 PolarHBondContact OE1-NZ 3.12Å; E486-K525 IonicContact OE2-NZ 3.66Å; E486-K525 PolarHBondContact OE2-NZ 2.82Å
487	M	38.1	Very low	54.5	Low	139 Å²	139	92.9 Å²	92.9	69%	0.685	53%	0.533	S	S	*	.	H	α-helix	trans	-73.1	-22.2	-179.7	-63.5	-79.7	-78.6	0	0	114.1	G483	G483-M487 WeakPolarHBondContact O-CG 3.4Å
488	L	35.9	Very low	51.7	Low	137 Å²	137	101.7 Å²	101.7	72%	0.717	57%	0.572	S	S	*	*	H	α-helix	trans	-91.8	-19.6	-177	-75.5	166.9	0	0	0	113.9	E486 G490	E486-L488 PolarHBondContact O-N 3.35Å; L488-G490 PolarHBondContact O-N 2.91Å
489	N	34.3	Very low	48.6	Very low	140 Å²	140	106.4 Å²	106.4	75%	0.749	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	4.2	-178.8	-68.3	-24.2	0	0	0	113.5
490	G	33.3	Very low	45.5	Very low	73 Å²	73	113.4 Å²	113.4	75%	0.753	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.8	-13.8	177.6	0	0	0	0	0	115	L488	L488-G490 PolarHBondContact O-N 2.91Å
491	D	35.8	Very low	42.6	Very low	145 Å²	145	119.7 Å²	119.7	78%	0.775	67%	0.669	S	S	*	*			trans	-139	63.6	-167	-167.4	21.8	0	0	0	113.6
492	T	30	Very low	39.5	Very low	126 Å²	126	122.8 Å²	122.8	77%	0.773	70%	0.704	S	S	*	*			trans	-140.9	76.1	160.4	57.9	0	0	0	0	110.9	E494	T492-E494 VanDerWaalsContact C-N 3.34Å; T492-E494 PolarHBondContact O-N 3.08Å
493	G	33.5	Very low	36.9	Very low	82 Å²	82	128.6 Å²	128.6	85%	0.845	74%	0.74	S	S	*	*			trans	-82.7	64.8	174	0	0	0	0	0	113.6
494	E	29.4	Very low	34.8	Very low	180 Å²	180	132.2 Å²	132.2	84%	0.841	77%	0.768	S	S	*	*			trans	-114.9	129.9	174	-70	-158.3	137.8	0	0	112.9	T492 P496	T492-E494 VanDerWaalsContact C-N 3.34Å; T492-E494 PolarHBondContact O-N 3.08Å; E494-P496 WeakPolarHBondContact O-CD 3.48Å
495	H	35.8	Very low	33.3	Very low	188 Å²	188	132.6 Å²	132.6	87%	0.87	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-84	125	176	-73.9	-76.4	0	0	0	111.8
496	P	32.1	Very low	32.4	Very low	121 Å²	121	131.8 Å²	131.8	79%	0.786	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-75.2	137	156.5	-10.6	28.2	0	0	0	109.8	E494	E494-P496 WeakPolarHBondContact O-CD 3.48Å
497	N	27.9	Very low	31.7	Very low	162 Å²	162	135.8 Å²	135.8	87%	0.866	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-67.3	158.6	174.4	-83.2	-44.7	0	0	0	112.3
498	K	35.1	Very low	31.1	Very low	187 Å²	187	136.5 Å²	136.5	81%	0.813	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-63.7	144.6	157.9	-62	173.7	178.5	175.2	0	109.2
499	D	30.3	Very low	30.9	Very low	158 Å²	158	135.2 Å²	135.2	85%	0.845	81%	0.805	S	S	*	*				-173.8	159.6	106.6	-93.1	-17.5	0	0	0	114
500	D	30.1	Very low	30.6	Very low	149 Å²	149	132.1 Å²	132.1	80%	0.797	81%	0.806	S	S	*	*			trans	70.3	165.9	168.2	-134.6	-12.6	0	0	0	120.4
501	N	31.1	Very low	30.2	Very low	155 Å²	155	136.1 Å²	136.1	83%	0.829	81%	0.81	S	S	*	*			trans	-117.3	146.4	-142.5	-66.3	-91	0	0	0	114.8
502	G	27.1	Very low	29.9	Very low	77 Å²	77	138.3 Å²	138.3	79%	0.794	82%	0.816	S	S	*	*			trans	-155.9	111.9	171.7	0	0	0	0	0	112.4
503	V	29.4	Very low	29.9	Very low	152 Å²	152	138.6 Å²	138.6	92%	0.921	82%	0.818	S	S	*	*			trans	-49.7	141.4	-172.5	179.3	0	0	0	0	114.3
504	A	31	Very low	29.7	Very low	93 Å²	93	144.5 Å²	144.5	77%	0.769	82%	0.82	S	S	*	*			trans	-77.2	153	-178	0	0	0	0	0	115.2
505	D	27.5	Very low	30	Very low	154 Å²	154	143.7 Å²	143.7	82%	0.824	82%	0.816	S	S	*	*			trans	-139.9	150.3	132.2	-165.3	6.4	0	0	0	108.7
506	G	28.7	Very low	30.1	Very low	52 Å²	52	140.2 Å²	140.2	54%	0.536	80%	0.804	S	S	.	*			trans	-124.3	133.6	-164.6	0	0	0	0	0	115
507	K	28.3	Very low	30.8	Very low	181 Å²	181	140 Å²	140	79%	0.787	79%	0.793	S	S	*	*			trans	-156.2	138.2	155.2	-98.5	119.5	-163.1	159.5	0	113.3
508	N	27	Very low	32	Very low	155 Å²	155	137.3 Å²	137.3	83%	0.829	78%	0.782	S	S	*	*			trans	52.6	101.6	154	-59.6	2.7	0	0	0	118.7
509	A	30.5	Very low	33.6	Very low	109 Å²	109	134 Å²	134	90%	0.901	77%	0.773	S	S	*	*			trans	-64.8	154.5	149	0	0	0	0	0	110.7
510	G	28.8	Very low	36	Very low	75 Å²	75	127.9 Å²	127.9	77%	0.773	74%	0.74	S	S	*	*			trans	133.5	61.2	172.8	0	0	0	0	0	115
511	N	24.8	Very low	38.2	Very low	158 Å²	158	124.3 Å²	124.3	85%	0.845	73%	0.732	S	S	*	*			trans	-143.2	87	165.1	-110.4	-21.4	0	0	0	109.9	T513	N511-T513 PolarHBondContact O-N 3.41Å
512	Q	29.9	Very low	40.4	Very low	190 Å²	190	120.3 Å²	120.3	89%	0.888	73%	0.726	S	S	*	*			trans	-66.6	118.8	154.2	-77.2	178.5	-25.9	0	0	106.8	K514	Q512-K514 PolarHBondContact O-N 2.81Å; Q512-K514 VanDerWaalsContact O-N 3.08Å
513	T	29.6	Very low	43.2	Very low	133 Å²	133	118 Å²	118	82%	0.816	70%	0.696	S	S	*	*			trans	-63.2	111.2	177.9	39.3	0	0	0	0	109.8	N511 Q515	N511-T513 PolarHBondContact O-N 3.41Å; T513-Q515 PolarHBondContact O-N 3.41Å; T513-Q515 VanDerWaalsContact O-N 3.08Å
514	K	30.2	Very low	46	Very low	205 Å²	205	113.4 Å²	113.4	89%	0.891	67%	0.669	S	S	*	*			trans	-57.6	113.5	165.7	-68	-179.3	178	-179.9	0	108	Q512 D516	Q512-K514 PolarHBondContact O-N 2.81Å; Q512-K514 VanDerWaalsContact O-N 3.08Å; K514-D516 PolarHBondContact O-N 2.85Å
515	Q	35.7	Very low	48.8	Very low	163 Å²	163	110.7 Å²	110.7	76%	0.762	64%	0.639	S	S	*	*			trans	-63.4	129.4	164	-75.6	-176.4	-18.8	0	0	107.8	T513 H517	T513-Q515 PolarHBondContact O-N 3.41Å; T513-Q515 VanDerWaalsContact O-N 3.08Å; Q515-H517 PolarHBondContact O-N 3.15Å; Q515-H517 VanDerWaalsContact O-N 3.1Å
516	D	36.6	Very low	51.9	Low	116 Å²	116	104.8 Å²	104.8	62%	0.62	61%	0.607	S	S	*	*			trans	-76.7	100.9	178.5	-159.1	-37	0	0	0	108.3	K514 T518 N519	K514-D516 PolarHBondContact O-N 2.85Å; D516-T518 PolarHBondContact O-N 3.36Å; D516-T518 WeakPolarHBondContact OD1-CG2 3.37Å; D516-T518 PolarHBondContact OD1-OG1 3.02Å; D516-N519 PolarHBondContact O-N 3.19Å; D516-N519 VanDerWaalsContact O-N 3.16Å
517	H	47.4	Very low	55.1	Low	117 Å²	117	102.3 Å²	102.3	54%	0.542	58%	0.582	S	S	.	*	T	Hydrogen-bonded Turn	trans	-59.4	3.1	-175.2	-62.1	-81.1	0	0	0	114.6	Q515 F547	Q515-H517 PolarHBondContact O-N 3.15Å; Q515-H517 VanDerWaalsContact O-N 3.1Å; H517-F547 PolarHBondContact CE1-O 3.47Å; H517-F547 PolarHBondContact ND1-O 2.87Å
518	T	52.4	Low	58.1	Low	104 Å²	104	95 Å²	95	64%	0.638	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.3	-21.3	178.1	61.3	0	0	0	0	114	D516	D516-T518 PolarHBondContact O-N 3.36Å; D516-T518 WeakPolarHBondContact OD1-CG2 3.37Å; D516-T518 PolarHBondContact OD1-OG1 3.02Å
519	N	68.2	Low	61.2	Low	117 Å²	117	88 Å²	88	63%	0.626	52%	0.516	S	S	*	.			trans	-105.5	94.7	-174.1	-170.5	13.5	0	0	0	113	D516 A521	D516-N519 PolarHBondContact O-N 3.19Å; D516-N519 VanDerWaalsContact O-N 3.16Å; N519-A521 VanDerWaalsContact C-N 3.33Å; N519-A521 VanDerWaalsContact OD1-CB 3.24Å; N519-A521 WeakPolarHBondContact OD1-CB 3.32Å; N519-A521 PolarHBondContact OD1-N 2.54Å
520	L	82	Confident	64.1	Low	31 Å²	31	83.3 Å²	83.3	16%	0.162	48%	0.475	C	S	.	.			trans	-86.6	3.9	176.1	-64.8	174.3	0	0	0	113.9	F374 A379 T380 G522 N523 L528	F374-L520 HydrophobicContact CE1-CD1 4.14Å; F374-L520 HydrophobicContact CZ-CD1 3.76Å; A379-L520 HydrophobicContact CB-CD1 4.42Å; T380-L520 CarbonylContact O-C 3.46Å; T380-L520 WeakPolarHBondContact O-CB 3.44Å; L520-G522 PolarHBondContact O-N 2.83Å; L520-G522 VanDerWaalsContact O-N 3.14Å; L520-N523 VanDerWaalsContact O-CB 3.32Å; L520-N523 WeakPolarHBondContact O-CB 3.46Å; L520-N523 PolarHBondContact O-N 3.46Å; L520-L528 HydrophobicContact CD2-CD1 4.12Å
521	A	75.6	Confident	67.2	Low	74 Å²	74	80 Å²	80	61%	0.612	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	115.2	-179.7	0	0	0	0	0	110.9	N519	N519-A521 VanDerWaalsContact C-N 3.33Å; N519-A521 VanDerWaalsContact OD1-CB 3.24Å; N519-A521 WeakPolarHBondContact OD1-CB 3.32Å; N519-A521 PolarHBondContact OD1-N 2.54Å
522	G	77.8	Confident	70.4	Confident	70 Å²	70	72.4 Å²	72.4	72%	0.722	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.2	4.3	-175	0	0	0	0	0	115	L520 T524	L520-G522 PolarHBondContact O-N 2.83Å; L520-G522 VanDerWaalsContact O-N 3.14Å; G522-T524 PolarHBondContact O-N 3.35Å
523	N	86.4	Confident	73.4	Confident	30 Å²	30	63.5 Å²	63.5	16%	0.16	36%	0.358	C	S	.	.			trans	-60.8	127.1	171.7	171.2	47.6	0	0	0	111.4	A379 L520 K525	A379-N523 WeakPolarHBondContact O-CB 3.27Å; A379-N523 PolarHBondContact O-ND2 2.88Å; L520-N523 VanDerWaalsContact O-CB 3.32Å; L520-N523 WeakPolarHBondContact O-CB 3.46Å; L520-N523 PolarHBondContact O-N 3.46Å; N523-K525 PolarHBondContact ND2-O 3.15Å; N523-K525 VanDerWaalsContact ND2-O 3.12Å; N523-K525 WeakPolarHBondContact OD1-CB 3.2Å; N523-K525 PolarHBondContact OD1-N 2.78Å
524	T	87	Confident	76.3	Confident	55 Å²	55	57.1 Å²	57.1	34%	0.337	32%	0.319	S	S	.	.			trans	-110.9	-7.2	174.6	50.2	0	0	0	0	113.5	G483 Q484 G522	G483-T524 WeakPolarHBondContact CA-OG1 3.3Å; Q484-T524 HydrophobicContact CB-CG2 4.29Å; Q484-T524 HydrophobicContact CG-CG2 4.21Å; Q484-T524 PolarHBondContact N-OG1 2.94Å; G522-T524 PolarHBondContact O-N 3.35Å
525	K	90.8	Very high	78.9	Confident	36 Å²	36	48.1 Å²	48.1	16%	0.157	28%	0.279	C	S	.	.			trans	-77	135.1	-179.4	-70.1	177.7	168.2	176.7	0	110.7	D481 L482 E486 N523 L528	D481-K525 WeakPolarHBondContact OD1-CA 3.48Å; L482-K525 WeakPolarHBondContact O-CE 3.31Å; L482-K525 PolarHBondContact O-NZ 2.98Å; E486-K525 IonicContact OE1-NZ 3.27Å; E486-K525 PolarHBondContact OE1-NZ 3.12Å; E486-K525 IonicContact OE2-NZ 3.66Å; E486-K525 PolarHBondContact OE2-NZ 2.82Å; N523-K525 PolarHBondContact ND2-O 3.15Å; N523-K525 VanDerWaalsContact ND2-O 3.12Å; N523-K525 WeakPolarHBondContact OD1-CB 3.2Å; N523-K525 PolarHBondContact OD1-N 2.78Å; K525-L528 HydrophobicContact CB-CD2 3.94Å
526	L	92.9	Very high	81.2	Confident	29 Å²	29	40.8 Å²	40.8	15%	0.152	25%	0.246	C	C	.	.	S	Bend	trans	-89.9	-30.9	-175.4	-72.7	176.3	0	0	0	113.2	R377 P378 W472 D481	R377-L526 HydrophobicContact CB-CD2 4.13Å; R377-L526 WeakPolarHBondContact CD-O 3.46Å; R377-L526 PolarHBondContact NH1-O 3.44Å; P378-L526 HydrophobicContact CB-CD2 4.11Å; W472-L526 HydrophobicContact CH2-CD1 4.39Å; W472-L526 HydrophobicContact CH2-CD2 4.12Å; W472-L526 HydrophobicContact CZ3-CB 4.37Å; W472-L526 HydrophobicContact CZ3-CD1 4.29Å; W472-L526 HydrophobicContact CZ3-CD2 4.47Å; D481-L526 PolarHBondContact OD1-N 3.22Å; D481-L526 PolarHBondContact OD2-N 3.17Å; D481-L526 VanDerWaalsContact OD2-N 3.13Å
527	W	94.3	Very high	83.5	Confident	0 Å²	0	41 Å²	41	0%	0	24%	0.241	C	C	.	.	S	Bend	trans	-119.9	103.9	178.6	-63.8	-93.1	0	0	0	108.8	W472 R478 D481 Y532 R554 R559	W472-W527 AromaticContact CE3-CE2 3.89Å; W472-W527 AromaticContact CE3-CZ2 3.84Å; W472-W527 HydrophobicContact CE3-CZ2 3.84Å; W472-W527 AromaticContact CE3-NE1 3.88Å; W472-W527 HydrophobicContact CZ3-CH2 4.26Å; W472-W527 AromaticContact CZ3-CZ2 3.78Å; W472-W527 HydrophobicContact CZ3-CZ2 3.78Å; W472-W527 PolarHBondContact O-NE1 3.18Å; R478-W527 HydrophobicContact CB-CH2 4.01Å; R478-W527 HydrophobicContact CB-CZ3 4.21Å; D481-W527 HydrophobicContact CB-CE3 3.82Å; D481-W527 HydrophobicContact CB-CZ3 4.29Å; D481-W527 PolarHBondContact OD2-N 3.1Å; W527-Y532 HydrophobicContact CB-CD2 4.19Å; W527-R554 PolarHBondContact O-NH1 3.02Å; W527-R554 PolarHBondContact O-NH2 3.36Å; W527-R559 VanDerWaalsContact CE2-CZ 3.42Å; W527-R559 VanDerWaalsContact CE2-NE 3.34Å; W527-R559 VanDerWaalsContact CZ2-NH1 3.29Å
528	L	92.7	Very high	85.3	Confident	29 Å²	29	39.1 Å²	39.1	15%	0.152	23%	0.231	C	C	.	.			trans	-90.9	126.8	-174.5	-64.6	177.7	0	0	0	111.8	F374 A379 L520 K525 K530 D531 F547	F374-L528 HydrophobicContact CD2-CD1 4.2Å; F374-L528 HydrophobicContact CE2-CD1 3.88Å; A379-L528 HydrophobicContact CB-CD1 4.12Å; L520-L528 HydrophobicContact CD2-CD1 4.12Å; K525-L528 HydrophobicContact CB-CD2 3.94Å; L528-K530 PolarHBondContact O-N 3.44Å; L528-D531 WeakPolarHBondContact O-CB 3.45Å; L528-D531 PolarHBondContact O-N 3.18Å; L528-F547 HydrophobicContact CB-CD1 4.23Å; L528-F547 HydrophobicContact CB-CE1 4.22Å
529	G	91.2	Very high	86.7	Confident	8 Å²	8	37.1 Å²	37.1	8%	0.082	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	59.5	-124.6	173.1	0	0	0	0	0	112.7	D531 Y532 P546 D550	G529-D531 PolarHBondContact O-N 3.05Å; G529-Y532 PolarHBondContact O-N 3Å; G529-P546 WeakPolarHBondContact CA-O 3.17Å; G529-D550 WeakPolarHBondContact CA-OD1 3.2Å; G529-D550 PolarHBondContact N-OD1 3.08Å
530	K	91.6	Very high	87.5	Confident	9 Å²	9	32.6 Å²	32.6	4%	0.039	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-65.5	-7.9	-177.6	-57	-58.8	170.5	59.6	0	114.8	F469 L528 W540 T541 L542 R545 P546 A549 N551	F469-K530 HydrophobicContact CD2-CB 4.13Å; F469-K530 HydrophobicContact CE2-CB 4.1Å; F469-K530 HydrophobicContact CZ-CB 4.47Å; L528-K530 PolarHBondContact O-N 3.44Å; K530-W540 PolarHBondContact O-NE1 2.68Å; K530-T541 PolarHBondContact NZ-O 3.17Å; K530-L542 PolarHBondContact NZ-O 2.72Å; K530-R545 PolarHBondContact NZ-O 2.99Å; K530-P546 PolarHBondContact N-O 3.4Å; K530-A549 WeakPolarHBondContact CE-O 2.25Å; K530-N551 HydrophobicContact CD-CB 3.99Å
531	D	93.2	Very high	87.5	Confident	5 Å²	5	34 Å²	34	3%	0.027	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-78.9	-18.6	171.8	-163.4	60.9	0	0	0	113.6	R377 F469 G470 L528 G529	R377-D531 IonicContact CZ-OD2 3.56Å; R377-D531 IonicContact NH1-OD2 2.61Å; R377-D531 PolarHBondContact NH1-OD2 3.49Å; R377-D531 IonicContact NH2-OD1 3.18Å; R377-D531 IonicContact NH2-OD2 2.88Å; R377-D531 PolarHBondContact NH2-OD2 3.3Å; F469-D531 VanDerWaalsContact CA-OD1 3.31Å; F469-D531 WeakPolarHBondContact CA-OD1 3.26Å; F469-D531 HydrophobicContact CD1-CB 3.73Å; F469-D531 HydrophobicContact CE1-CB 4.39Å; G470-D531 PolarHBondContact N-OD1 3.13Å; L528-D531 WeakPolarHBondContact O-CB 3.45Å; L528-D531 PolarHBondContact O-N 3.18Å; G529-D531 PolarHBondContact O-N 3.05Å
532	Y	93.6	Very high	87.9	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.199	C	C	.	.	S	Bend	trans	-86.2	108.8	167.8	-171.5	-84.4	0	0	0	109.1	L479 D481 W527 G529 I552 R554 V557 R559	L479-Y532 PolarHBondContact O-OH 2.99Å; D481-Y532 HydrophobicContact CB-CD2 3.96Å; D481-Y532 HydrophobicContact CB-CE2 3.86Å; W527-Y532 HydrophobicContact CB-CD2 4.19Å; G529-Y532 PolarHBondContact O-N 3Å; Y532-I552 HydrophobicContact CD1-CD1 3.9Å; Y532-I552 HydrophobicContact CD1-CG1 3.72Å; Y532-I552 HydrophobicContact CE1-CD1 3.66Å; Y532-I552 HydrophobicContact CE1-CG1 3.84Å; Y532-R554 HydrophobicContact CD1-CB 3.84Å; Y532-R554 HydrophobicContact CD2-CB 4.43Å; Y532-R554 HydrophobicContact CE1-CB 3.5Å; Y532-R554 VanDerWaalsContact CE1-CB 3.5Å; Y532-R554 HydrophobicContact CE2-CB 4.13Å; Y532-R554 HydrophobicContact CG-CB 4.31Å; Y532-V557 WeakPolarHBondContact CE1-O 3.48Å; Y532-V557 PolarHBondContact OH-O 2.7Å; Y532-R559 HydrophobicContact CD2-CB 4Å; Y532-R559 HydrophobicContact CD2-CG 4.31Å; Y532-R559 HydrophobicContact CE1-CB 4.24Å; Y532-R559 HydrophobicContact CE2-CB 3.7Å; Y532-R559 HydrophobicContact CE2-CG 3.85Å; Y532-R559 HydrophobicContact CG-CB 4.39Å; Y532-R559 PolarHBondContact OH-N 2.85Å; Y532-R559 VanDerWaalsContact OH-N 3.14Å
533	S	91.6	Very high	88.3	Confident	2 Å²	2	33 Å²	33	1%	0.014	17%	0.168	C	C	.	.			trans	-146.3	146.9	-164.6	61.1	0	0	0	0	114.3	W540 R559 M560	S533-W540 WeakPolarHBondContact OG-CZ2 3.35Å; S533-R559 WeakPolarHBondContact O-CA 2.23Å; S533-M560 PolarHBondContact O-N 3Å
534	N	91.6	Very high	88.2	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.178	C	C	.	.			trans	-139.6	97.1	164.3	-176.3	-30.7	0	0	0	108.2	I536 K537 K538 I552 P558 M560 E774	N534-I536 VanDerWaalsContact C-N 3.29Å; N534-I536 PolarHBondContact O-N 3.41Å; N534-I536 PolarHBondContact OD1-N 2.98Å; N534-K537 HydrophobicContact CB-CB 4.36Å; N534-K537 HydrophobicContact CB-CG 4.33Å; N534-K537 PolarHBondContact O-N 3.48Å; N534-K537 VanDerWaalsContact O-N 3.12Å; N534-K537 PolarHBondContact OD1-N 3.2Å; N534-K538 PolarHBondContact O-N 2.98Å; N534-I552 HydrophobicContact CB-CD1 3.76Å; N534-P558 PolarHBondContact ND2-O 3.13Å; N534-M560 HydrophobicContact CB-CB 4.26Å; N534-E774 PolarHBondContact ND2-OE2 2.87Å
535	F	84.1	Confident	88.2	Confident	15 Å²	15	37.4 Å²	37.4	7%	0.066	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-4	-170.9	51.1	-90.2	0	0	0	114.8	W540 M560 W562 F709 E710 Y777	F535-W540 HydrophobicContact CB-CE3 4.32Å; F535-W540 HydrophobicContact CB-CH2 4.2Å; F535-W540 HydrophobicContact CB-CZ3 3.77Å; F535-W540 AromaticContact CD1-CH2 3.44Å; F535-W540 HydrophobicContact CD1-CH2 3.44Å; F535-W540 VanDerWaalsContact CD1-CH2 3.44Å; F535-W540 HydrophobicContact CD1-CZ2 4.33Å; F535-W540 AromaticContact CD1-CZ3 3.81Å; F535-W540 HydrophobicContact CD1-CZ3 3.81Å; F535-W540 HydrophobicContact CE1-CH2 4.07Å; F535-W540 HydrophobicContact CG-CH2 4.06Å; F535-W540 AromaticContact CG-CZ3 3.93Å; F535-W540 HydrophobicContact CG-CZ3 3.93Å; F535-M560 HydrophobicContact CD1-CE 3.85Å; F535-M560 HydrophobicContact CD2-CE 3.81Å; F535-M560 HydrophobicContact CE1-CE 3.41Å; F535-M560 VanDerWaalsContact CE1-CE 3.41Å; F535-M560 HydrophobicContact CE2-CE 3.37Å; F535-M560 HydrophobicContact CG-CE 4.04Å; F535-M560 HydrophobicContact CZ-CE 3.15Å; F535-W562 AromaticContact CE1-CE3 3.9Å; F535-W562 HydrophobicContact CE1-CE3 3.9Å; F535-W562 AromaticContact CE1-CZ3 3.62Å; F535-W562 HydrophobicContact CE1-CZ3 3.62Å; F535-W562 HydrophobicContact CZ-CE3 4.03Å; F535-W562 AromaticContact CZ-CZ3 3.55Å; F535-W562 HydrophobicContact CZ-CZ3 3.55Å; F535-F709 CarbonylContact O-C 3.53Å; F535-E710 VanDerWaalsContact O-CA 3.32Å; F535-E710 WeakPolarHBondContact O-CA 3.33Å; F535-E710 PolarHBondContact O-N 3.24Å; F535-Y777 HydrophobicContact CE2-CD1 4.32Å; F535-Y777 HydrophobicContact CE2-CD2 4.39Å; F535-Y777 HydrophobicContact CE2-CE1 4.21Å; F535-Y777 HydrophobicContact CE2-CE2 4.33Å; F535-Y777 HydrophobicContact CE2-CG 4.4Å; F535-Y777 AromaticContact CZ-CD1 3.67Å; F535-Y777 HydrophobicContact CZ-CD1 3.67Å; F535-Y777 HydrophobicContact CZ-CD2 4.26Å; F535-Y777 AromaticContact CZ-CE1 3.94Å; F535-Y777 HydrophobicContact CZ-CE1 3.94Å; F535-Y777 AromaticContact CZ-CG 3.84Å; F535-Y777 HydrophobicContact CZ-CG 3.84Å
536	I	84.4	Confident	88.1	Confident	10 Å²	10	36.3 Å²	36.3	5%	0.051	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-36.9	163.7	-64	176.3	0	0	0	109.8	N534 M560 L706 G711 L775	N534-I536 VanDerWaalsContact C-N 3.29Å; N534-I536 PolarHBondContact O-N 3.41Å; N534-I536 PolarHBondContact OD1-N 2.98Å; I536-M560 HydrophobicContact CD1-CE 4.05Å; I536-M560 HydrophobicContact CD1-SD 3.62Å; I536-M560 HydrophobicContact CG1-CE 3.97Å; I536-M560 HydrophobicContact CG1-SD 4.11Å; I536-L706 HydrophobicContact CD1-CB 4.21Å; I536-L706 HydrophobicContact CD1-CD1 4.38Å; I536-G711 PolarHBondContact O-N 3.29Å; I536-G711 VanDerWaalsContact O-N 3.09Å; I536-L775 HydrophobicContact CD1-CD2 3.82Å; I536-L775 HydrophobicContact CD1-CG 4.47Å
537	K	85.3	Confident	87.8	Confident	119 Å²	119	37.8 Å²	37.8	52%	0.517	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-38.6	178.1	-62.1	-63.6	-178	-178.5	0	113.4	N534 V557	N534-K537 HydrophobicContact CB-CB 4.36Å; N534-K537 HydrophobicContact CB-CG 4.33Å; N534-K537 PolarHBondContact O-N 3.48Å; N534-K537 VanDerWaalsContact O-N 3.12Å; N534-K537 PolarHBondContact OD1-N 3.2Å; K537-V557 HydrophobicContact CG-CG1 4.3Å
538	K	84.6	Confident	87	Confident	78 Å²	78	43.2 Å²	43.2	34%	0.339	21%	0.209	S	C	.	.			trans	-165.5	125	-178.9	-173.5	-175.5	164.1	-164.3	0	112	N534 N551 I552 E710	N534-K538 PolarHBondContact O-N 2.98Å; K538-N551 WeakPolarHBondContact CD-O 2.26Å; K538-N551 WeakPolarHBondContact CE-O 2.78Å; K538-N551 PolarHBondContact NZ-O 2.91Å; K538-N551 PolarHBondContact O-ND2 3.1Å; K538-I552 HydrophobicContact CB-CG2 4.04Å; K538-I552 HydrophobicContact CD-CG2 4.34Å; K538-E710 WeakPolarHBondContact CA-OE2 3.47Å
539	D	82.7	Confident	86.1	Confident	63 Å²	63	44.6 Å²	44.6	34%	0.337	23%	0.225	S	C	.	.			trans	-66	165.2	173.7	-166.7	17.8	0	0	0	111.9	T541 N551 E710	D539-T541 PolarHBondContact O-N 3.3Å; D539-N551 PolarHBondContact O-ND2 3.44Å; D539-E710 PolarHBondContact N-OE2 3.14Å
540	W	83.4	Confident	85.6	Confident	22 Å²	22	46.7 Å²	46.7	8%	0.083	23%	0.234	C	C	.	.			trans	-70	127.8	-176.7	-77.3	-87.2	0	0	0	112.8	W368 F469 K530 S533 F535 L543	W368-W540 HydrophobicContact CH2-CB 4.23Å; W368-W540 AromaticContact CH2-CD1 3.97Å; W368-W540 AromaticContact CH2-CD2 3.5Å; W368-W540 HydrophobicContact CH2-CD2 3.5Å; W368-W540 AromaticContact CH2-CE2 3.73Å; W368-W540 AromaticContact CH2-CE3 3.9Å; W368-W540 HydrophobicContact CH2-CE3 3.9Å; W368-W540 AromaticContact CH2-CG 3.66Å; W368-W540 HydrophobicContact CH2-CG 3.66Å; W368-W540 HydrophobicContact CH2-CZ2 4.28Å; W368-W540 HydrophobicContact CH2-CZ3 4.44Å; W368-W540 HydrophobicContact CZ2-CG 4.47Å; W368-W540 AromaticContact CZ3-CD2 3.81Å; W368-W540 HydrophobicContact CZ3-CD2 3.81Å; W368-W540 AromaticContact CZ3-CE2 3.98Å; W368-W540 AromaticContact CZ3-CE3 3.76Å; W368-W540 HydrophobicContact CZ3-CE3 3.76Å; W368-W540 HydrophobicContact CZ3-CG 4.43Å; W368-W540 HydrophobicContact CZ3-CH2 4.05Å; W368-W540 HydrophobicContact CZ3-CZ2 4.1Å; W368-W540 AromaticContact CZ3-CZ3 3.9Å; W368-W540 HydrophobicContact CZ3-CZ3 3.9Å; F469-W540 HydrophobicContact CB-CZ2 4.41Å; K530-W540 PolarHBondContact O-NE1 2.68Å; S533-W540 WeakPolarHBondContact OG-CZ2 3.35Å; F535-W540 HydrophobicContact CB-CE3 4.32Å; F535-W540 HydrophobicContact CB-CH2 4.2Å; F535-W540 HydrophobicContact CB-CZ3 3.77Å; F535-W540 AromaticContact CD1-CH2 3.44Å; F535-W540 HydrophobicContact CD1-CH2 3.44Å; F535-W540 VanDerWaalsContact CD1-CH2 3.44Å; F535-W540 HydrophobicContact CD1-CZ2 4.33Å; F535-W540 AromaticContact CD1-CZ3 3.81Å; F535-W540 HydrophobicContact CD1-CZ3 3.81Å; F535-W540 HydrophobicContact CE1-CH2 4.07Å; F535-W540 HydrophobicContact CG-CH2 4.06Å; F535-W540 AromaticContact CG-CZ3 3.93Å; F535-W540 HydrophobicContact CG-CZ3 3.93Å; W540-L543 HydrophobicContact CB-CD2 3.94Å; W540-L543 HydrophobicContact CB-CG 4.43Å; W540-L543 HydrophobicContact CG-CD2 4.37Å
541	T	83.6	Confident	85.2	Confident	61 Å²	61	46.3 Å²	46.3	37%	0.374	23%	0.232	S	C	.	.			trans	-124.5	148.9	-178.8	53.6	0	0	0	0	112.1	K530 D539 L543 N551	K530-T541 PolarHBondContact NZ-O 3.17Å; D539-T541 PolarHBondContact O-N 3.3Å; T541-L543 PolarHBondContact O-N 2.75Å; T541-N551 PolarHBondContact N-OD1 3.33Å; T541-N551 PolarHBondContact OG1-OD1 3.46Å; T541-N551 VanDerWaalsContact OG1-OD1 3.07Å
542	L	83.1	Confident	84.9	Confident	110 Å²	110	46.9 Å²	46.9	58%	0.576	24%	0.235	S	C	*	.			trans	52.4	52.1	178.1	-59.7	172.8	0	0	0	112.9	K530 D544 R545	K530-L542 PolarHBondContact NZ-O 2.72Å; L542-D544 VanDerWaalsContact C-OD1 3.27Å; L542-D544 WeakPolarHBondContact CA-OD1 3.31Å; L542-D544 PolarHBondContact O-N 3.15Å; L542-D544 VanDerWaalsContact O-N 3.14Å; L542-R545 PolarHBondContact O-N 3.26Å
543	L	86.1	Confident	84.6	Confident	11 Å²	11	51.2 Å²	51.2	6%	0.058	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-16.3	180	-70.9	179	0	0	0	113.8	W368 G413 N415 F469 W540 T541 R545	W368-L543 HydrophobicContact CH2-CD2 4.41Å; W368-L543 HydrophobicContact CZ2-CD1 3.65Å; W368-L543 HydrophobicContact CZ2-CD2 3.79Å; W368-L543 HydrophobicContact CZ2-CG 4.4Å; G413-L543 WeakPolarHBondContact O-CD1 3.49Å; N415-L543 HydrophobicContact CB-CD1 4.17Å; F469-L543 HydrophobicContact CD2-CD2 3.92Å; F469-L543 HydrophobicContact CE2-CD2 3.96Å; W540-L543 HydrophobicContact CB-CD2 3.94Å; W540-L543 HydrophobicContact CB-CG 4.43Å; W540-L543 HydrophobicContact CG-CD2 4.37Å; T541-L543 PolarHBondContact O-N 2.75Å; L543-R545 PolarHBondContact O-N 3.3Å
544	D	84.9	Confident	84.5	Confident	72 Å²	72	51.7 Å²	51.7	39%	0.385	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-13.8	170.2	59	-59.7	0	0	0	114	Y418 L542	Y418-D544 HydrophobicContact CD2-CB 4.04Å; Y418-D544 VanDerWaalsContact CE2-CA 3.49Å; Y418-D544 HydrophobicContact CE2-CB 3.87Å; Y418-D544 PolarHBondContact OH-O 2.95Å; L542-D544 VanDerWaalsContact C-OD1 3.27Å; L542-D544 WeakPolarHBondContact CA-OD1 3.31Å; L542-D544 PolarHBondContact O-N 3.15Å; L542-D544 VanDerWaalsContact O-N 3.14Å
545	R	87.4	Confident	84.3	Confident	106 Å²	106	54.5 Å²	54.5	40%	0.4	28%	0.277	S	S	.	.			trans	-126.6	80.5	-176.8	-64.2	154.6	-178.7	-105.8	5.9	109.1	K530 L542 L543 E548	K530-R545 PolarHBondContact NZ-O 2.99Å; L542-R545 PolarHBondContact O-N 3.26Å; L543-R545 PolarHBondContact O-N 3.3Å; R545-E548 HydrophobicContact CB-CB 4.27Å; R545-E548 HydrophobicContact CB-CG 4.04Å; R545-E548 WeakPolarHBondContact CD-OE2 2.24Å; R545-E548 HydrophobicContact CG-CG 4.31Å; R545-E548 VanDerWaalsContact CG-OE2 3.3Å; R545-E548 WeakPolarHBondContact CG-OE2 3.25Å; R545-E548 IonicContact CZ-OE2 3.67Å; R545-E548 IonicContact NE-OE2 3.87Å; R545-E548 IonicContact NH1-OE1 2.76Å; R545-E548 PolarHBondContact NH1-OE1 2.77Å; R545-E548 IonicContact NH1-OE2 2.64Å; R545-E548 PolarHBondContact NH1-OE2 2.8Å
546	P	87.6	Confident	84.5	Confident	14 Å²	14	58.8 Å²	58.8	9%	0.091	30%	0.297	C	S	.	.	S	Bend	trans	-73.2	-29.4	-173.3	26.3	-33.9	0	0	0	113.7	E372 F469 G529 K530	E372-P546 HydrophobicContact CB-CB 4.28Å; E372-P546 HydrophobicContact CB-CG 4.19Å; E372-P546 HydrophobicContact CG-CB 4.5Å; E372-P546 HydrophobicContact CG-CG 3.97Å; F469-P546 HydrophobicContact CZ-CB 3.93Å; G529-P546 WeakPolarHBondContact CA-O 3.17Å; K530-P546 PolarHBondContact N-O 3.4Å
547	F	87.6	Confident	84.8	Confident	60 Å²	60	60.2 Å²	60.2	26%	0.263	31%	0.306	S	S	.	.	S	Bend	trans	-121.2	-3	-171.9	-52.6	-57.2	0	0	0	115.5	E372 F374 H517 L528 A549	E372-F547 HydrophobicContact CB-CE2 4.07Å; E372-F547 HydrophobicContact CB-CZ 3.92Å; F374-F547 AromaticContact CE2-CE1 3.92Å; F374-F547 HydrophobicContact CE2-CE1 3.92Å; F374-F547 AromaticContact CE2-CZ 3.75Å; F374-F547 HydrophobicContact CE2-CZ 3.75Å; F374-F547 HydrophobicContact CZ-CZ 4.42Å; H517-F547 PolarHBondContact CE1-O 3.47Å; H517-F547 PolarHBondContact ND1-O 2.87Å; L528-F547 HydrophobicContact CB-CD1 4.23Å; L528-F547 HydrophobicContact CB-CE1 4.22Å; F547-A549 VanDerWaalsContact C-N 3.32Å; F547-A549 PolarHBondContact O-N 3.15Å
548	E	77.1	Confident	85.2	Confident	114 Å²	114	55.3 Å²	55.3	53%	0.533	29%	0.287	S	S	.	.	S	Bend	trans	-68.5	-30.9	-179.9	-67.2	-173	170	0	0	112.9	R545	R545-E548 HydrophobicContact CB-CB 4.27Å; R545-E548 HydrophobicContact CB-CG 4.04Å; R545-E548 WeakPolarHBondContact CD-OE2 2.24Å; R545-E548 HydrophobicContact CG-CG 4.31Å; R545-E548 VanDerWaalsContact CG-OE2 3.3Å; R545-E548 WeakPolarHBondContact CG-OE2 3.25Å; R545-E548 IonicContact CZ-OE2 3.67Å; R545-E548 IonicContact NE-OE2 3.87Å; R545-E548 IonicContact NH1-OE1 2.76Å; R545-E548 PolarHBondContact NH1-OE1 2.77Å; R545-E548 IonicContact NH1-OE2 2.64Å; R545-E548 PolarHBondContact NH1-OE2 2.8Å
549	A	73.8	Confident	85.7	Confident	58 Å²	58	51.6 Å²	51.6	48%	0.479	27%	0.27	S	S	.	.	S	Bend	trans	-159.8	157.6	177.9	0	0	0	0	0	110.3	K530 F547	K530-A549 WeakPolarHBondContact CE-O 2.25Å; F547-A549 VanDerWaalsContact C-N 3.32Å; F547-A549 PolarHBondContact O-N 3.15Å
550	D	81.3	Confident	86.3	Confident	51 Å²	51	48.8 Å²	48.8	27%	0.273	26%	0.255	S	S	.	.			trans	-68	161.8	168.4	-62.4	-40.8	0	0	0	111.5	G529 I552 R554	G529-D550 WeakPolarHBondContact CA-OD1 3.2Å; G529-D550 PolarHBondContact N-OD1 3.08Å; D550-I552 VanDerWaalsContact C-N 3.34Å; D550-I552 WeakPolarHBondContact CB-O 2.27Å; D550-R554 VanDerWaalsContact CG-NH2 3.32Å; D550-R554 IonicContact OD1-CZ 3.76Å; D550-R554 IonicContact OD1-NE 2.74Å; D550-R554 IonicContact OD1-NH2 2.75Å; D550-R554 PolarHBondContact OD1-NH2 2.67Å; D550-R554 IonicContact OD2-CZ 3.25Å; D550-R554 IonicContact OD2-NE 3.69Å; D550-R554 PolarHBondContact OD2-NE 2.95Å; D550-R554 IonicContact OD2-NH2 2.72Å; D550-R554 PolarHBondContact OD2-NH2 3.17Å
551	N	81.6	Confident	86.9	Confident	2 Å²	2	47.7 Å²	47.7	1%	0.011	25%	0.251	C	S	.	.	S	Bend	trans	-75.2	-28.4	175.3	-162.6	60.4	0	0	0	112.1	K530 K538 D539 T541	K530-N551 HydrophobicContact CD-CB 3.99Å; K538-N551 WeakPolarHBondContact CD-O 2.26Å; K538-N551 WeakPolarHBondContact CE-O 2.78Å; K538-N551 PolarHBondContact NZ-O 2.91Å; K538-N551 PolarHBondContact O-ND2 3.1Å; D539-N551 PolarHBondContact O-ND2 3.44Å; T541-N551 PolarHBondContact N-OD1 3.33Å; T541-N551 PolarHBondContact OG1-OD1 3.46Å; T541-N551 VanDerWaalsContact OG1-OD1 3.07Å
552	I	87	Confident	87.6	Confident	17 Å²	17	45.2 Å²	45.2	9%	0.087	24%	0.235	C	C	.	.	S	Bend	trans	-136.1	158	-179.7	52.2	169.1	0	0	0	109	Y532 N534 K538 D550 R554 V557	Y532-I552 HydrophobicContact CD1-CD1 3.9Å; Y532-I552 HydrophobicContact CD1-CG1 3.72Å; Y532-I552 HydrophobicContact CE1-CD1 3.66Å; Y532-I552 HydrophobicContact CE1-CG1 3.84Å; N534-I552 HydrophobicContact CB-CD1 3.76Å; K538-I552 HydrophobicContact CB-CG2 4.04Å; K538-I552 HydrophobicContact CD-CG2 4.34Å; D550-I552 VanDerWaalsContact C-N 3.34Å; D550-I552 WeakPolarHBondContact CB-O 2.27Å; I552-R554 PolarHBondContact O-N 2.87Å; I552-V557 HydrophobicContact CB-CB 4.37Å; I552-V557 HydrophobicContact CD1-CB 4.07Å; I552-V557 HydrophobicContact CD1-CG1 3.77Å
553	D	87.3	Confident	88.3	Confident	91 Å²	91	40 Å²	40	49%	0.487	21%	0.207	S	C	.	.			trans	-69.7	114	175.7	-168.5	-37.9	0	0	0	110.5	T555 E556 V557	D553-T555 PolarHBondContact O-N 3.4Å; D553-T555 WeakPolarHBondContact OD1-CB 3.4Å; D553-T555 PolarHBondContact OD1-N 3.1Å; D553-T555 PolarHBondContact OD1-OG1 3.08Å; D553-E556 PolarHBondContact O-N 3.08Å; D553-V557 WeakPolarHBondContact O-CB 2.74Å; D553-V557 PolarHBondContact O-N 2.94Å
554	R	90.3	Very high	88.8	Confident	12 Å²	12	39.4 Å²	39.4	5%	0.045	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-8.5	-178.7	69.9	167.5	65.4	-132.3	-6.5	114.9	D481 L482 W527 Y532 D550 I552 L767	D481-R554 PolarHBondContact O-NH1 3.45Å; D481-R554 IonicContact OD2-CZ 2.73Å; D481-R554 IonicContact OD2-NH1 3.4Å; D481-R554 PolarHBondContact OD2-NH1 3.03Å; L482-R554 HydrophobicContact CD2-CG 4.36Å; L482-R554 WeakPolarHBondContact CD2-O 3.4Å; W527-R554 PolarHBondContact O-NH1 3.02Å; W527-R554 PolarHBondContact O-NH2 3.36Å; Y532-R554 HydrophobicContact CD1-CB 3.84Å; Y532-R554 HydrophobicContact CD2-CB 4.43Å; Y532-R554 HydrophobicContact CE1-CB 3.5Å; Y532-R554 VanDerWaalsContact CE1-CB 3.5Å; Y532-R554 HydrophobicContact CE2-CB 4.13Å; Y532-R554 HydrophobicContact CG-CB 4.31Å; D550-R554 VanDerWaalsContact CG-NH2 3.32Å; D550-R554 IonicContact OD1-CZ 3.76Å; D550-R554 IonicContact OD1-NE 2.74Å; D550-R554 IonicContact OD1-NH2 2.75Å; D550-R554 PolarHBondContact OD1-NH2 2.67Å; D550-R554 IonicContact OD2-CZ 3.25Å; D550-R554 IonicContact OD2-NE 3.69Å; D550-R554 PolarHBondContact OD2-NE 2.95Å; D550-R554 IonicContact OD2-NH2 2.72Å; D550-R554 PolarHBondContact OD2-NH2 3.17Å; I552-R554 PolarHBondContact O-N 2.87Å; R554-L767 WeakPolarHBondContact O-CD1 3.47Å
555	T	87.9	Confident	89.4	Confident	58 Å²	58	36 Å²	36	36%	0.356	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-25.5	177.6	69.6	0	0	0	0	112.7	L482 D553 S768	L482-T555 HydrophobicContact CD2-CG2 4.26Å; D553-T555 PolarHBondContact O-N 3.4Å; D553-T555 WeakPolarHBondContact OD1-CB 3.4Å; D553-T555 PolarHBondContact OD1-N 3.1Å; D553-T555 PolarHBondContact OD1-OG1 3.08Å; T555-S768 WeakPolarHBondContact O-CB 3.48Å; T555-S768 PolarHBondContact O-OG 3.35Å
556	E	87.6	Confident	89.9	Confident	106 Å²	106	31 Å²	31	50%	0.495	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.6	-31	-177.8	-76.3	-69.6	171.1	0	0	113.4	D553 K770	D553-E556 PolarHBondContact O-N 3.08Å; E556-K770 IonicContact OE1-NZ 3.02Å; E556-K770 PolarHBondContact OE1-NZ 2.89Å; E556-K770 IonicContact OE2-NZ 3.27Å; E556-K770 PolarHBondContact OE2-NZ 2.74Å
557	V	90.3	Very high	90.4	Very high	39 Å²	39	30.3 Å²	30.3	24%	0.236	16%	0.163	C	C	.	.	S	Bend	trans	-110.8	119.9	-175.5	-169.3	0	0	0	0	110.5	Y532 K537 I552 D553	Y532-V557 WeakPolarHBondContact CE1-O 3.48Å; Y532-V557 PolarHBondContact OH-O 2.7Å; K537-V557 HydrophobicContact CG-CG1 4.3Å; I552-V557 HydrophobicContact CB-CB 4.37Å; I552-V557 HydrophobicContact CD1-CB 4.07Å; I552-V557 HydrophobicContact CD1-CG1 3.77Å; D553-V557 WeakPolarHBondContact O-CB 2.74Å; D553-V557 PolarHBondContact O-N 2.94Å
558	P	93.8	Very high	90.9	Very high	17 Å²	17	27.5 Å²	27.5	11%	0.11	15%	0.151	C	C	.	.	P	Polyproline II helix	trans	-67.9	142	172.8	28.5	-34	0	0	0	111	L479 N534 L767 V772	L479-P558 HydrophobicContact CB-CB 3.91Å; L479-P558 VanDerWaalsContact O-CA 3.29Å; L479-P558 WeakPolarHBondContact O-CA 3.22Å; N534-P558 PolarHBondContact ND2-O 3.13Å; P558-L767 HydrophobicContact CB-CD2 4.45Å; P558-V772 HydrophobicContact CB-CG2 4.33Å; P558-V772 HydrophobicContact CG-CB 4.37Å
559	R	94.8	Very high	91.9	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.125	C	C	.	.	P	Polyproline II helix	trans	-63.6	150.1	166.9	63.2	167.2	-68	-93.4	5.4	109.8	D473 R478 L479 W527 Y532 S533 P561	D473-R559 IonicContact OD1-NH1 2.65Å; D473-R559 PolarHBondContact OD1-NH1 3.27Å; D473-R559 IonicContact OD2-CZ 3.17Å; D473-R559 VanDerWaalsContact OD2-CZ 3.24Å; D473-R559 IonicContact OD2-NH1 3.63Å; D473-R559 PolarHBondContact OD2-NH1 3.07Å; D473-R559 IonicContact OD2-NH2 2.78Å; D473-R559 PolarHBondContact OD2-NH2 3.44Å; R478-R559 WeakPolarHBondContact O-CD 3.31Å; R478-R559 WeakPolarHBondContact O-CG 3.32Å; R478-R559 PolarHBondContact O-NH1 3.21Å; L479-R559 PolarHBondContact O-N 2.93Å; W527-R559 VanDerWaalsContact CE2-CZ 3.42Å; W527-R559 VanDerWaalsContact CE2-NE 3.34Å; W527-R559 VanDerWaalsContact CZ2-NH1 3.29Å; Y532-R559 HydrophobicContact CD2-CB 4Å; Y532-R559 HydrophobicContact CD2-CG 4.31Å; Y532-R559 HydrophobicContact CE1-CB 4.24Å; Y532-R559 HydrophobicContact CE2-CB 3.7Å; Y532-R559 HydrophobicContact CE2-CG 3.85Å; Y532-R559 HydrophobicContact CG-CB 4.39Å; Y532-R559 PolarHBondContact OH-N 2.85Å; Y532-R559 VanDerWaalsContact OH-N 3.14Å; S533-R559 WeakPolarHBondContact O-CA 2.23Å; R559-P561 WeakPolarHBondContact O-CD 3.25Å
560	M	95.3	Very high	93	Very high	3 Å²	3	19.4 Å²	19.4	2%	0.015	10%	0.103	C	C	.	.	P	Polyproline II helix	trans	-87	123.1	170.9	-170.8	161.2	64.4	0	0	109.5	S533 N534 F535 I536 E774 L775 Y777	S533-M560 PolarHBondContact O-N 3Å; N534-M560 HydrophobicContact CB-CB 4.26Å; F535-M560 HydrophobicContact CD1-CE 3.85Å; F535-M560 HydrophobicContact CD2-CE 3.81Å; F535-M560 HydrophobicContact CE1-CE 3.41Å; F535-M560 VanDerWaalsContact CE1-CE 3.41Å; F535-M560 HydrophobicContact CE2-CE 3.37Å; F535-M560 HydrophobicContact CG-CE 4.04Å; F535-M560 HydrophobicContact CZ-CE 3.15Å; I536-M560 HydrophobicContact CD1-CE 4.05Å; I536-M560 HydrophobicContact CD1-SD 3.62Å; I536-M560 HydrophobicContact CG1-CE 3.97Å; I536-M560 HydrophobicContact CG1-SD 4.11Å; M560-E774 HydrophobicContact CB-CG 4.11Å; M560-E774 HydrophobicContact CG-CG 3.9Å; M560-E774 HydrophobicContact SD-CG 4.39Å; M560-L775 HydrophobicContact CG-CD1 4.36Å; M560-L775 WeakPolarHBondContact CG-O 3.36Å; M560-L775 HydrophobicContact SD-CD1 3.57Å; M560-L775 VanDerWaalsContact SD-CD1 3.57Å; M560-L775 HydrophobicContact SD-CG 3.94Å; M560-Y777 HydrophobicContact CE-CD2 4.07Å; M560-Y777 HydrophobicContact CE-CG 4.11Å
561	P	97.1	Very high	93.7	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.093	C	C	.	.	P	Polyproline II helix	trans	-67.1	153	178.3	-22.2	35.1	0	0	0	113.1	D473 Y477 L479 R559 T763 I776 Y777	D473-P561 WeakPolarHBondContact OD2-CA 2.8Å; D473-P561 WeakPolarHBondContact OD2-CB 3.48Å; Y477-P561 HydrophobicContact CD1-CB 3.9Å; Y477-P561 HydrophobicContact CG-CB 4.25Å; Y477-P561 VanDerWaalsContact O-CG 3.25Å; Y477-P561 WeakPolarHBondContact O-CG 3.25Å; L479-P561 HydrophobicContact CD2-CG 3.55Å; R559-P561 WeakPolarHBondContact O-CD 3.25Å; P561-T763 HydrophobicContact CG-CG2 4.15Å; P561-I776 HydrophobicContact CB-CB 4.39Å; P561-I776 HydrophobicContact CB-CG1 4Å; P561-I776 HydrophobicContact CB-CG2 4.23Å; P561-I776 HydrophobicContact CG-CG1 4.12Å; P561-Y777 WeakPolarHBondContact O-CB 3.26Å; P561-Y777 PolarHBondContact O-N 3.15Å
562	W	97.3	Very high	94.3	Very high	8 Å²	8	20.1 Å²	20.1	3%	0.03	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	116.5	-176.6	-169.3	-80.8	0	0	0	110.4	G470 R471 D473 F535 D564 Y777 H779	G470-W562 WeakPolarHBondContact O-CB 3.27Å; R471-W562 HydrophobicContact CG-CD2 4.43Å; R471-W562 HydrophobicContact CG-CZ2 3.8Å; D473-W562 HydrophobicContact CB-CB 4.47Å; D473-W562 VanDerWaalsContact CB-O 3.24Å; D473-W562 WeakPolarHBondContact CB-O 3.48Å; D473-W562 PolarHBondContact OD2-N 2.7Å; F535-W562 AromaticContact CE1-CE3 3.9Å; F535-W562 HydrophobicContact CE1-CE3 3.9Å; F535-W562 AromaticContact CE1-CZ3 3.62Å; F535-W562 HydrophobicContact CE1-CZ3 3.62Å; F535-W562 HydrophobicContact CZ-CE3 4.03Å; F535-W562 AromaticContact CZ-CZ3 3.55Å; F535-W562 HydrophobicContact CZ-CZ3 3.55Å; W562-D564 PolarHBondContact NE1-OD2 3.41Å; W562-Y777 AromaticContact CE3-CD1 3.97Å; W562-Y777 HydrophobicContact CE3-CD1 3.97Å; W562-Y777 HydrophobicContact CH2-CD1 4.43Å; W562-Y777 HydrophobicContact CH2-CE1 4.44Å; W562-Y777 AromaticContact CZ3-CD1 3.91Å; W562-Y777 HydrophobicContact CZ3-CD1 3.91Å; W562-Y777 HydrophobicContact CZ3-CE1 4.24Å; W562-H779 HydrophobicContact CD2-CB 4.21Å; W562-H779 VanDerWaalsContact CE2-CB 3.49Å; W562-H779 AromaticContact CE2-CG 3.67Å; W562-H779 AromaticContact CE2-ND1 3.88Å; W562-H779 HydrophobicContact CH2-CB 4.17Å; W562-H779 AromaticContact CH2-CD2 3.82Å; W562-H779 AromaticContact CH2-CG 3.8Å; W562-H779 HydrophobicContact CZ2-CB 3.51Å; W562-H779 AromaticContact CZ2-CD2 3.62Å; W562-H779 AromaticContact CZ2-CE1 3.82Å; W562-H779 AromaticContact CZ2-CG 3.15Å; W562-H779 AromaticContact CZ2-ND1 3.32Å; W562-H779 VanDerWaalsContact CZ2-ND1 3.32Å; W562-H779 WeakPolarHBondContact CZ2-ND1 3.32Å; W562-H779 AromaticContact NE1-CG 3.99Å; W562-H779 AromaticContact NE1-ND1 3.96Å
563	R	97.7	Very high	94.8	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	128	174.1	179.5	173	171.4	89	7.1	109.7	N343 Y477 E662 L761 I776 Y777 H779 S780 C842	N343-R563 WeakPolarHBondContact OD1-CA 3.48Å; Y477-R563 HydrophobicContact CE1-CB 3.83Å; Y477-R563 HydrophobicContact CE1-CG 4.37Å; Y477-R563 WeakPolarHBondContact OH-CD 3.3Å; Y477-R563 WeakPolarHBondContact OH-CG 3.26Å; Y477-R563 PolarHBondContact OH-NH1 3.47Å; R563-E662 VanDerWaalsContact CD-OE1 3.32Å; R563-E662 WeakPolarHBondContact CD-OE1 3.23Å; R563-E662 WeakPolarHBondContact CG-OE1 3.38Å; R563-E662 IonicContact CZ-OE1 3.16Å; R563-E662 IonicContact CZ-OE2 2.75Å; R563-E662 VanDerWaalsContact NE-CD 3.25Å; R563-E662 IonicContact NE-OE1 2.83Å; R563-E662 PolarHBondContact NE-OE1 2.73Å; R563-E662 IonicContact NE-OE2 3.42Å; R563-E662 PolarHBondContact NE-OE2 3.35Å; R563-E662 VanDerWaalsContact NE-OE2 3.15Å; R563-E662 IonicContact NH2-OE1 3.14Å; R563-E662 IonicContact NH2-OE2 3.96Å; R563-E662 PolarHBondContact NH2-OE2 3.32Å; R563-L761 VanDerWaalsContact CD-CD1 3.44Å; R563-I776 HydrophobicContact CB-CG2 3.76Å; R563-Y777 PolarHBondContact N-O 2.86Å; R563-H779 PolarHBondContact O-N 2.71Å; R563-S780 PolarHBondContact O-N 3.4Å; R563-S780 PolarHBondContact O-OG 3.29Å; R563-C842 PolarHBondContact NH2-SG 2.97Å
564	D	97.8	Very high	95.3	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.078	C	C	.	.			trans	-146.8	159.5	-176	-142.5	-41.3	0	0	0	111.1	N343 G464 L465 W562 H779 S780	N343-D564 PolarHBondContact N-O 3.46Å; G464-D564 VanDerWaalsContact CA-OD1 3.25Å; G464-D564 WeakPolarHBondContact CA-OD1 3.14Å; L465-D564 HydrophobicContact CD1-CB 4.39Å; L465-D564 HydrophobicContact CD2-CB 3.51Å; L465-D564 HydrophobicContact CG-CB 3.71Å; L465-D564 PolarHBondContact N-OD2 3.46Å; W562-D564 PolarHBondContact NE1-OD2 3.41Å; D564-H779 IonicContact OD2-CE1 2.96Å; D564-H779 IonicContact OD2-CG 2.74Å; D564-H779 IonicContact OD2-ND1 3.84Å; D564-H779 PolarHBondContact OD2-ND1 2.86Å; D564-S780 WeakPolarHBondContact CA-OG 3.34Å
565	L	97.5	Very high	95.5	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	139.9	173	-89	81.6	0	0	0	109.7	Y341 V342 G464 S780 A782 I792 L838	Y341-L565 WeakPolarHBondContact O-CA 3.46Å; V342-L565 HydrophobicContact CG2-CG 4.36Å; G464-L565 PolarHBondContact N-O 3.08Å; L565-S780 VanDerWaalsContact CD1-OG 3.3Å; L565-S780 WeakPolarHBondContact CD1-OG 3.26Å; L565-S780 PolarHBondContact N-OG 3.15Å; L565-A782 HydrophobicContact CB-CB 4.17Å; L565-A782 HydrophobicContact CD2-CB 3.69Å; L565-A782 HydrophobicContact CG-CB 4.45Å; L565-I792 HydrophobicContact CB-CD1 4.33Å; L565-I792 HydrophobicContact CB-CG1 4.45Å; L565-I792 HydrophobicContact CD2-CD1 4.2Å; L565-L838 HydrophobicContact CD2-CD1 3.9Å; L565-L838 HydrophobicContact CD2-CD2 4.4Å
566	S	98.1	Very high	96	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	167	-179	-67.7	0	0	0	0	110.8	W340 Y341	W340-S566 CarbonylContact C-O 3.54Å; W340-S566 WeakPolarHBondContact CA-O 3.47Å; Y341-S566 PolarHBondContact N-O 3.47Å; Y341-S566 PolarHBondContact O-N 2.86Å
567	T	97.8	Very high	96.5	Very high	1 Å²	1	6.9 Å²	6.9	1%	0.006	4%	0.036	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	149.6	179.7	-167.6	0	0	0	0	111.7	T338 K339 F461 V462 V569 I792 V812	T338-T567 PolarHBondContact OG1-OG1 3.24Å; K339-T567 CarbonylContact O-C 3.31Å; K339-T567 VanDerWaalsContact O-CA 3.26Å; K339-T567 WeakPolarHBondContact O-CA 3.28Å; K339-T567 PolarHBondContact O-OG1 2.88Å; K339-T567 VanDerWaalsContact O-OG1 3.08Å; F461-T567 CarbonylContact C-O 3.56Å; F461-T567 WeakPolarHBondContact CA-O 3.37Å; V462-T567 HydrophobicContact CB-CG2 4.49Å; V462-T567 PolarHBondContact N-O 3.28Å; V462-T567 PolarHBondContact O-N 3.01Å; T567-V569 HydrophobicContact CG2-CG1 4.49Å; T567-I792 HydrophobicContact CG2-CG2 4.44Å; T567-V812 HydrophobicContact CG2-CB 4.01Å; T567-V812 HydrophobicContact CG2-CG2 3.97Å
568	A	98.2	Very high	96.8	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.025	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	135.4	167.3	0	0	0	0	0	109.5	T338 K339 Y341 A460 F461 V618	T338-A568 CarbonylContact C-O 3.59Å; T338-A568 VanDerWaalsContact CA-O 3.22Å; T338-A568 WeakPolarHBondContact CA-O 3.15Å; T338-A568 PolarHBondContact OG1-O 3.22Å; K339-A568 PolarHBondContact N-O 2.85Å; K339-A568 PolarHBondContact O-N 2.97Å; Y341-A568 HydrophobicContact CE2-CB 3.78Å; A460-A568 CarbonylContact O-C 3.57Å; A460-A568 WeakPolarHBondContact O-CA 3.48Å; F461-A568 HydrophobicContact CD1-CB 3.92Å; F461-A568 HydrophobicContact CE1-CB 3.93Å; F461-A568 HydrophobicContact CG-CB 4.31Å; F461-A568 HydrophobicContact CZ-CB 4.31Å; A568-V618 HydrophobicContact CB-CG2 4.19Å
569	V	97.6	Very high	96.9	Very high	0 Å²	0	4.5 Å²	4.5	0%	0	2%	0.021	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	153.4	179.5	-61.1	0	0	0	0	110.6	V459 A460 T567 A573 V577 V626 V812	V459-V569 WeakPolarHBondContact CA-O 3.3Å; A460-V569 HydrophobicContact CB-CG2 4.12Å; A460-V569 PolarHBondContact N-O 2.95Å; A460-V569 PolarHBondContact O-N 3.31Å; T567-V569 HydrophobicContact CG2-CG1 4.49Å; V569-A573 HydrophobicContact CB-CB 4.16Å; V569-A573 HydrophobicContact CG2-CB 4.14Å; V569-V577 HydrophobicContact CG2-CG2 4.46Å; V569-V626 HydrophobicContact CB-CG1 4.49Å; V569-V626 HydrophobicContact CG1-CG1 3.86Å; V569-V812 HydrophobicContact CG1-CG1 4.12Å; V569-V812 HydrophobicContact CG1-CG2 4.49Å
570	H	97.3	Very high	97	Very high	3 Å²	3	4.5 Å²	4.5	1%	0.014	2%	0.021	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	170.3	-176.4	-59	73.7	0	0	0	112.6	L337 T458 K572 A573 A574 L614 V618 S621	L337-H570 HydrophobicContact CB-CB 4.08Å; L337-H570 PolarHBondContact O-N 3.34Å; L337-H570 PolarHBondContact O-ND1 3.26Å; T458-H570 CarbonylContact O-C 3.58Å; T458-H570 WeakPolarHBondContact O-CA 3.37Å; H570-K572 PolarHBondContact O-N 3.37Å; H570-A573 PolarHBondContact O-N 3.09Å; H570-A574 PolarHBondContact O-N 3.49Å; H570-L614 HydrophobicContact CB-CD1 3.9Å; H570-L614 HydrophobicContact CB-CD2 4.04Å; H570-V618 PolarHBondContact NE2-N 2.65Å; H570-S621 PolarHBondContact CE1-OG 2.78Å; H570-S621 VanDerWaalsContact CE1-OG 3.3Å
571	G	95	Very high	97.2	Very high	5 Å²	5	4.4 Å²	4.4	5%	0.052	2%	0.02	C	C	.	.	H	α-helix	trans	56	-123.5	165	0	0	0	0	0	114.5	T458 A573 A574 R575 A611	T458-G571 PolarHBondContact O-N 3.49Å; G571-A573 PolarHBondContact O-N 3.01Å; G571-A574 WeakPolarHBondContact O-CB 3.4Å; G571-A574 PolarHBondContact O-N 2.95Å; G571-R575 PolarHBondContact O-N 3.45Å; G571-A611 WeakPolarHBondContact CA-O 3.19Å
572	K	95.3	Very high	97.1	Very high	62 Å²	62	4.4 Å²	4.4	27%	0.27	2%	0.02	S	C	.	.	H	α-helix	trans	-60.3	-42.2	-175.2	-64.7	-174.4	-179.2	87	0	112.4	R333 H570 R575 D576 A611 D612	R333-K572 HydrophobicContact CB-CB 4.46Å; R333-K572 HydrophobicContact CG-CB 4.05Å; H570-K572 PolarHBondContact O-N 3.37Å; K572-R575 PolarHBondContact O-N 3.4Å; K572-D576 VanDerWaalsContact O-CG 3.25Å; K572-D576 PolarHBondContact O-N 3.07Å; K572-D576 VanDerWaalsContact O-N 3.08Å; K572-A611 HydrophobicContact CB-CB 4.43Å; K572-A611 HydrophobicContact CD-CB 4.46Å; K572-A611 HydrophobicContact CG-CB 3.42Å; K572-A611 VanDerWaalsContact CG-CB 3.42Å; K572-D612 IonicContact NZ-OD1 3.9Å; K572-D612 PolarHBondContact NZ-OD1 3.46Å; K572-D612 IonicContact NZ-OD2 3.62Å; K572-D612 PolarHBondContact NZ-OD2 2.87Å
573	A	96.8	Very high	97	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-67.8	-38	176.2	0	0	0	0	0	112.4	R333 T336 V569 H570 G571 R575 D576 V577 V626 V628	R333-A573 HydrophobicContact CG-CB 4.36Å; T336-A573 HydrophobicContact CG2-CB 3.84Å; V569-A573 HydrophobicContact CB-CB 4.16Å; V569-A573 HydrophobicContact CG2-CB 4.14Å; H570-A573 PolarHBondContact O-N 3.09Å; G571-A573 PolarHBondContact O-N 3.01Å; A573-R575 VanDerWaalsContact C-N 3.27Å; A573-R575 PolarHBondContact O-N 2.84Å; A573-D576 PolarHBondContact O-N 3.02Å; A573-D576 VanDerWaalsContact O-N 3.12Å; A573-V577 PolarHBondContact O-N 3.41Å; A573-V626 HydrophobicContact CB-CB 4.3Å; A573-V626 HydrophobicContact CB-CG1 3.68Å; A573-V628 HydrophobicContact CB-CG2 4.33Å
574	A	97.3	Very high	96.8	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-62.3	-34	173.2	0	0	0	0	0	112.4	T458 A460 H570 G571 A578	T458-A574 WeakPolarHBondContact O-CB 3.18Å; A460-A574 HydrophobicContact CB-CB 3.91Å; H570-A574 PolarHBondContact O-N 3.49Å; G571-A574 WeakPolarHBondContact O-CB 3.4Å; G571-A574 PolarHBondContact O-N 2.95Å; A574-A578 WeakPolarHBondContact O-CB 3.47Å; A574-A578 PolarHBondContact O-N 3.11Å
575	R	95.8	Very high	96.7	Very high	6 Å²	6	5.3 Å²	5.3	2%	0.023	3%	0.025	C	C	.	.	H	α-helix	trans	-71.4	-30.2	172.9	-70.5	-172.9	-175.5	166.3	16.1	113.2	Q457 G571 K572 A573 A578 R579 S607 E610	Q457-R575 HydrophobicContact CB-CG 4.25Å; Q457-R575 WeakPolarHBondContact O-CG 3.3Å; Q457-R575 PolarHBondContact O-NE 2.75Å; G571-R575 PolarHBondContact O-N 3.45Å; K572-R575 PolarHBondContact O-N 3.4Å; A573-R575 VanDerWaalsContact C-N 3.27Å; A573-R575 PolarHBondContact O-N 2.84Å; R575-A578 PolarHBondContact O-N 2.64Å; R575-R579 VanDerWaalsContact O-CB 3.27Å; R575-R579 WeakPolarHBondContact O-CB 3.36Å; R575-R579 PolarHBondContact O-N 2.92Å; R575-S607 PolarHBondContact NH1-O 2.86Å; R575-E610 VanDerWaalsContact CZ-O 3.3Å; R575-E610 PolarHBondContact NH1-O 3.28Å; R575-E610 PolarHBondContact NH2-O 3.23Å
576	D	97.3	Very high	96.5	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-69.4	-40.2	173.8	-60.2	-23.5	0	0	0	111.1	F320 F329 A330 R333 K572 A573 R579 H580 H608 V628	F320-D576 VanDerWaalsContact CZ-OD1 3.28Å; F320-D576 WeakPolarHBondContact CZ-OD1 3.26Å; F329-D576 HydrophobicContact CE2-CB 4.44Å; F329-D576 HydrophobicContact CZ-CB 4.49Å; A330-D576 HydrophobicContact CB-CB 4.08Å; R333-D576 IonicContact CZ-OD1 2.64Å; R333-D576 IonicContact CZ-OD2 3.93Å; R333-D576 IonicContact NE-OD1 3.24Å; R333-D576 IonicContact NE-OD2 2.68Å; R333-D576 PolarHBondContact NE-OD2 2.85Å; R333-D576 IonicContact NH2-OD1 3.35Å; R333-D576 PolarHBondContact NH2-OD1 2.77Å; R333-D576 IonicContact NH2-OD2 2.6Å; R333-D576 PolarHBondContact NH2-OD2 2.82Å; R333-D576 VanDerWaalsContact NH2-OD2 3.15Å; K572-D576 VanDerWaalsContact O-CG 3.25Å; K572-D576 PolarHBondContact O-N 3.07Å; K572-D576 VanDerWaalsContact O-N 3.08Å; A573-D576 PolarHBondContact O-N 3.02Å; A573-D576 VanDerWaalsContact O-N 3.12Å; D576-R579 PolarHBondContact O-N 2.85Å; D576-H580 PolarHBondContact O-N 3.27Å; D576-H608 IonicContact OD1-CD2 2.63Å; D576-H608 IonicContact OD1-CE1 3.17Å; D576-H608 IonicContact OD1-NE2 2.72Å; D576-H608 PolarHBondContact OD1-NE2 2.92Å; D576-V628 HydrophobicContact CB-CB 4.2Å; D576-V628 HydrophobicContact CB-CG2 3.91Å
577	V	98.1	Very high	96.1	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-62.3	-48.5	169.7	175.1	0	0	0	0	111.4	M452 A460 V462 V569 A573 R579 H580 F581 V628 L810	M452-V577 HydrophobicContact CB-CG1 4.3Å; M452-V577 HydrophobicContact CG-CG1 4.17Å; M452-V577 HydrophobicContact SD-CG1 3.53Å; M452-V577 VanDerWaalsContact SD-CG1 3.53Å; A460-V577 HydrophobicContact CB-CB 3.84Å; A460-V577 HydrophobicContact CB-CG1 3.82Å; A460-V577 HydrophobicContact CB-CG2 4.18Å; V462-V577 HydrophobicContact CG2-CG1 4.1Å; V462-V577 HydrophobicContact CG2-CG2 3.9Å; V569-V577 HydrophobicContact CG2-CG2 4.46Å; A573-V577 PolarHBondContact O-N 3.41Å; V577-R579 VanDerWaalsContact C-N 3.28Å; V577-R579 PolarHBondContact O-N 2.68Å; V577-H580 WeakPolarHBondContact O-CB 3.47Å; V577-H580 PolarHBondContact O-N 2.84Å; V577-F581 PolarHBondContact O-N 2.88Å; V577-V628 HydrophobicContact CG2-CG1 3.99Å; V577-V628 HydrophobicContact CG2-CG2 3.87Å; V577-L810 HydrophobicContact CG1-CD2 3.9Å; V577-L810 HydrophobicContact CG2-CD2 4.36Å
578	A	97.7	Very high	95.7	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-60.6	-36.6	176.9	0	0	0	0	0	112.1	F363 A454 Q457 A574 R575 H580 F581 I582	F363-A578 HydrophobicContact CD2-CB 4.28Å; F363-A578 HydrophobicContact CE2-CB 4.35Å; A454-A578 HydrophobicContact CB-CB 4.29Å; Q457-A578 HydrophobicContact CB-CB 3.94Å; Q457-A578 HydrophobicContact CG-CB 3.95Å; A574-A578 WeakPolarHBondContact O-CB 3.47Å; A574-A578 PolarHBondContact O-N 3.11Å; R575-A578 PolarHBondContact O-N 2.64Å; A578-H580 PolarHBondContact O-N 2.85Å; A578-F581 WeakPolarHBondContact O-CB 3.14Å; A578-F581 PolarHBondContact O-N 2.77Å; A578-I582 WeakPolarHBondContact O-CB 3.46Å; A578-I582 WeakPolarHBondContact O-CD1 3.29Å; A578-I582 WeakPolarHBondContact O-CG1 3.4Å; A578-I582 PolarHBondContact O-N 3.08Å
579	R	96.3	Very high	95.2	Very high	7 Å²	7	6.1 Å²	6.1	3%	0.026	3%	0.029	C	C	.	.	H	α-helix	trans	-62.7	-39.9	175.7	-172.2	-178.7	-173.2	86	-4.9	112.2	S247 L264 F265 F320 R575 D576 V577 I582 Q583	S247-R579 PolarHBondContact O-NH1 2.83Å; S247-R579 PolarHBondContact O-NH2 3.25Å; S247-R579 PolarHBondContact OG-NH1 2.97Å; S247-R579 VanDerWaalsContact OG-NH1 3.14Å; L264-R579 HydrophobicContact CD1-CG 4.27Å; F265-R579 PolarHBondContact O-NH2 2.78Å; F320-R579 VanDerWaalsContact CE1-CD 3.42Å; F320-R579 VanDerWaalsContact CG-NE 3.3Å; R575-R579 VanDerWaalsContact O-CB 3.27Å; R575-R579 WeakPolarHBondContact O-CB 3.36Å; R575-R579 PolarHBondContact O-N 2.92Å; D576-R579 PolarHBondContact O-N 2.85Å; V577-R579 VanDerWaalsContact C-N 3.28Å; V577-R579 PolarHBondContact O-N 2.68Å; R579-I582 PolarHBondContact O-N 3.41Å; R579-Q583 WeakPolarHBondContact O-CB 3.45Å; R579-Q583 PolarHBondContact O-N 3.34Å
580	H	96.9	Very high	94.5	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-60.1	-46.3	173	174	78.1	0	0	0	111.5	F329 E450 D576 V577 A578 I582 Q583 R584 R630 T637	F329-H580 HydrophobicContact CZ-CB 4.38Å; E450-H580 WeakPolarHBondContact CG-NE2 3.23Å; E450-H580 IonicContact OE1-CD2 2.77Å; E450-H580 IonicContact OE1-CE1 3.59Å; E450-H580 CovalentContact OE1-NE2 1.81Å; E450-H580 IonicContact OE1-NE2 3.5Å; E450-H580 PolarHBondContact OE1-NE2 2.96Å; E450-H580 IonicContact OE2-NE2 2.8Å; D576-H580 PolarHBondContact O-N 3.27Å; V577-H580 WeakPolarHBondContact O-CB 3.47Å; V577-H580 PolarHBondContact O-N 2.84Å; A578-H580 PolarHBondContact O-N 2.85Å; H580-I582 PolarHBondContact O-N 3.11Å; H580-Q583 PolarHBondContact O-N 3.13Å; H580-R584 VanDerWaalsContact NE2-CD 3.33Å; H580-R584 WeakPolarHBondContact NE2-CD 3.46Å; H580-R584 PolarHBondContact O-N 2.91Å; H580-R630 VanDerWaalsContact ND1-CD 3.31Å; H580-R630 WeakPolarHBondContact ND1-CD 3.29Å; H580-R630 PolarHBondContact ND1-NH1 2.94Å; H580-T637 WeakPolarHBondContact CE1-CG2 3.36Å
581	F	98	Very high	93.5	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-59.1	-48.5	174.2	-179.6	-99.1	0	0	0	112.3	F363 I364 T365 C401 L403 M452 V577 A578 Q583 R584 W585 L603	F363-F581 HydrophobicContact CB-CD1 3.49Å; F363-F581 VanDerWaalsContact CB-CD1 3.49Å; F363-F581 HydrophobicContact CB-CD2 4.23Å; F363-F581 HydrophobicContact CB-CE1 3.59Å; F363-F581 HydrophobicContact CB-CE2 4.29Å; F363-F581 HydrophobicContact CB-CG 3.82Å; F363-F581 HydrophobicContact CB-CZ 4Å; F363-F581 AromaticContact CD1-CD1 3.84Å; F363-F581 HydrophobicContact CD1-CD1 3.84Å; F363-F581 AromaticContact CD1-CE1 3.51Å; F363-F581 HydrophobicContact CD1-CE1 3.51Å; F363-F581 HydrophobicContact CD1-CZ 4.39Å; F363-F581 HydrophobicContact CD2-CB 4.42Å; F363-F581 AromaticContact CD2-CD1 3.47Å; F363-F581 HydrophobicContact CD2-CD1 3.47Å; F363-F581 VanDerWaalsContact CD2-CD1 3.47Å; F363-F581 HydrophobicContact CD2-CE1 4.05Å; F363-F581 HydrophobicContact CD2-CG 4.19Å; F363-F581 HydrophobicContact CE1-CD1 4.42Å; F363-F581 HydrophobicContact CE1-CE1 4.17Å; F363-F581 HydrophobicContact CE2-CD1 4.1Å; F363-F581 AromaticContact CG-CD1 3.32Å; F363-F581 HydrophobicContact CG-CD1 3.32Å; F363-F581 AromaticContact CG-CE1 3.44Å; F363-F581 HydrophobicContact CG-CE1 3.44Å; F363-F581 VanDerWaalsContact CG-CE1 3.44Å; F363-F581 HydrophobicContact CG-CG 4.11Å; F363-F581 HydrophobicContact CG-CZ 4.31Å; I364-F581 WeakPolarHBondContact O-CE2 3.37Å; T365-F581 HydrophobicContact CG2-CD2 3.67Å; T365-F581 HydrophobicContact CG2-CE2 4.04Å; C401-F581 HydrophobicContact CB-CE1 3.82Å; C401-F581 HydrophobicContact CB-CZ 3.79Å; C401-F581 VanDerWaalsContact O-CZ 3.27Å; C401-F581 WeakPolarHBondContact O-CZ 3.22Å; L403-F581 HydrophobicContact CB-CE2 3.96Å; L403-F581 HydrophobicContact CD1-CD2 3.86Å; L403-F581 HydrophobicContact CD1-CE2 3.61Å; L403-F581 HydrophobicContact CD1-CZ 4.27Å; L403-F581 HydrophobicContact CG-CE2 3.85Å; L403-F581 HydrophobicContact CG-CZ 4.35Å; M452-F581 HydrophobicContact CE-CB 3.82Å; M452-F581 HydrophobicContact CE-CD2 3.48Å; M452-F581 VanDerWaalsContact CE-CD2 3.48Å; M452-F581 HydrophobicContact CE-CE2 4.22Å; M452-F581 HydrophobicContact CE-CG 3.8Å; V577-F581 PolarHBondContact O-N 2.88Å; A578-F581 WeakPolarHBondContact O-CB 3.14Å; A578-F581 PolarHBondContact O-N 2.77Å; F581-Q583 VanDerWaalsContact C-N 3.3Å; F581-Q583 PolarHBondContact O-N 3.3Å; F581-R584 PolarHBondContact O-N 2.89Å; F581-R584 VanDerWaalsContact O-N 3.16Å; F581-W585 HydrophobicContact CE1-CB 4.32Å; F581-W585 HydrophobicContact CE1-CE3 4.24Å; F581-W585 AromaticContact CZ-CE3 3.82Å; F581-W585 HydrophobicContact CZ-CE3 3.82Å; F581-W585 HydrophobicContact CZ-CZ3 4.42Å; F581-W585 WeakPolarHBondContact O-CB 3.36Å; F581-W585 PolarHBondContact O-N 3.36Å; F581-L603 HydrophobicContact CD1-CD1 4.06Å; F581-L603 HydrophobicContact CE1-CD1 3.55Å
582	I	96.4	Very high	92.7	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-61.4	-38.6	-179.8	-68.3	160.7	0	0	0	111	L264 F363 A578 R579 H580 N586 L603 P605	L264-I582 HydrophobicContact CD1-CG2 4.4Å; L264-I582 HydrophobicContact CD2-CG2 4.43Å; F363-I582 HydrophobicContact CE2-CD1 3.91Å; F363-I582 HydrophobicContact CE2-CG1 3.84Å; F363-I582 HydrophobicContact CZ-CD1 4.46Å; F363-I582 HydrophobicContact CZ-CG1 4.28Å; A578-I582 WeakPolarHBondContact O-CB 3.46Å; A578-I582 WeakPolarHBondContact O-CD1 3.29Å; A578-I582 WeakPolarHBondContact O-CG1 3.4Å; A578-I582 PolarHBondContact O-N 3.08Å; R579-I582 PolarHBondContact O-N 3.41Å; H580-I582 PolarHBondContact O-N 3.11Å; I582-N586 WeakPolarHBondContact CG2-ND2 3.44Å; I582-N586 VanDerWaalsContact O-CB 3.26Å; I582-N586 WeakPolarHBondContact O-CB 3.19Å; I582-N586 VanDerWaalsContact O-CG 3.29Å; I582-N586 PolarHBondContact O-N 2.86Å; I582-N586 PolarHBondContact O-ND2 3.5Å; I582-L603 HydrophobicContact CB-CB 4.49Å; I582-L603 HydrophobicContact CG1-CB 3.96Å; I582-L603 HydrophobicContact CG2-CB 4.13Å; I582-L603 WeakPolarHBondContact CG2-O 3.4Å; I582-P605 HydrophobicContact CD1-CB 4.08Å
583	Q	94.3	Very high	91.8	Very high	27 Å²	27	14.4 Å²	14.4	13%	0.126	7%	0.073	C	C	.	.	H	α-helix	trans	-59.6	-53.4	172.4	-172.7	-177.9	-13.1	0	0	110.8	L264 R579 H580 F581 W585 N586 F587 T637 S639	L264-Q583 HydrophobicContact CD1-CB 3.84Å; L264-Q583 HydrophobicContact CD1-CG 4.4Å; R579-Q583 WeakPolarHBondContact O-CB 3.45Å; R579-Q583 PolarHBondContact O-N 3.34Å; H580-Q583 PolarHBondContact O-N 3.13Å; F581-Q583 VanDerWaalsContact C-N 3.3Å; F581-Q583 PolarHBondContact O-N 3.3Å; Q583-W585 PolarHBondContact O-N 2.91Å; Q583-N586 PolarHBondContact O-N 3.25Å; Q583-F587 WeakPolarHBondContact O-CB 3.3Å; Q583-F587 PolarHBondContact O-N 3.48Å; Q583-T637 PolarHBondContact NE2-O 2.85Å; Q583-S639 PolarHBondContact NE2-OG 2.93Å
584	R	94.4	Very high	91	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-63.4	-38.4	-179.5	-74.1	-170.4	57.6	-135.6	-10.2	113.5	T365 L403 H448 E450 H580 F581 T588 T637	T365-R584 VanDerWaalsContact CG2-NH1 3.33Å; L403-R584 HydrophobicContact CD1-CB 3.73Å; H448-R584 PolarHBondContact CD2-NH2 3.48Å; H448-R584 PolarHBondContact CE1-NH2 3.1Å; H448-R584 PolarHBondContact ND1-NH2 2.87Å; H448-R584 PolarHBondContact NE2-NH2 2.78Å; E450-R584 WeakPolarHBondContact OE1-CD 3.3Å; E450-R584 IonicContact OE1-CZ 2.74Å; E450-R584 IonicContact OE1-NE 2.85Å; E450-R584 PolarHBondContact OE1-NE 2.94Å; E450-R584 IonicContact OE1-NH1 3.97Å; E450-R584 PolarHBondContact OE1-NH1 2.88Å; E450-R584 IonicContact OE2-CZ 2.86Å; E450-R584 IonicContact OE2-NH1 3.63Å; E450-R584 PolarHBondContact OE2-NH1 2.83Å; H580-R584 VanDerWaalsContact NE2-CD 3.33Å; H580-R584 WeakPolarHBondContact NE2-CD 3.46Å; H580-R584 PolarHBondContact O-N 2.91Å; F581-R584 PolarHBondContact O-N 2.89Å; F581-R584 VanDerWaalsContact O-N 3.16Å; R584-T588 VanDerWaalsContact O-CB 3.23Å; R584-T588 WeakPolarHBondContact O-CB 3.43Å; R584-T588 PolarHBondContact O-N 2.89Å; R584-T588 PolarHBondContact O-OG1 3.33Å; R584-T637 HydrophobicContact CG-CG2 3.7Å
585	W	95.4	Very high	90.3	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-65.4	-53.5	177.5	179	-88.3	0	0	0	111	C401 L403 K431 M433 F581 Q583 F587 T588 K589 Y600 P601 L603	C401-W585 HydrophobicContact CB-CE3 4.09Å; C401-W585 HydrophobicContact CB-CH2 3.87Å; C401-W585 HydrophobicContact CB-CZ2 4.31Å; C401-W585 HydrophobicContact CB-CZ3 3.75Å; L403-W585 HydrophobicContact CD1-CB 4.27Å; L403-W585 HydrophobicContact CD2-CE3 4.43Å; L403-W585 HydrophobicContact CG-CE3 4.05Å; K431-W585 HydrophobicContact CB-CH2 3.67Å; K431-W585 HydrophobicContact CB-CZ2 4.15Å; K431-W585 WeakPolarHBondContact O-CH2 3.44Å; M433-W585 HydrophobicContact CB-CZ3 4.29Å; M433-W585 HydrophobicContact CE-CD2 4.03Å; M433-W585 HydrophobicContact CE-CE3 4.37Å; M433-W585 HydrophobicContact CE-CH2 3.97Å; M433-W585 HydrophobicContact CE-CZ2 3.61Å; M433-W585 HydrophobicContact CE-CZ3 4.33Å; M433-W585 HydrophobicContact CG-CE3 4.35Å; M433-W585 HydrophobicContact CG-CH2 4.07Å; M433-W585 HydrophobicContact CG-CZ3 3.91Å; M433-W585 HydrophobicContact SD-CD2 4.3Å; M433-W585 HydrophobicContact SD-CE3 4.23Å; M433-W585 HydrophobicContact SD-CZ3 4.33Å; F581-W585 HydrophobicContact CE1-CB 4.32Å; F581-W585 HydrophobicContact CE1-CE3 4.24Å; F581-W585 AromaticContact CZ-CE3 3.82Å; F581-W585 HydrophobicContact CZ-CE3 3.82Å; F581-W585 HydrophobicContact CZ-CZ3 4.42Å; F581-W585 WeakPolarHBondContact O-CB 3.36Å; F581-W585 PolarHBondContact O-N 3.36Å; Q583-W585 PolarHBondContact O-N 2.91Å; W585-F587 VanDerWaalsContact C-N 3.33Å; W585-F587 PolarHBondContact O-N 3.17Å; W585-T588 PolarHBondContact O-N 3.16Å; W585-K589 WeakPolarHBondContact O-CB 3.41Å; W585-K589 PolarHBondContact O-N 2.57Å; W585-Y600 HydrophobicContact CH2-CD1 4.14Å; W585-Y600 HydrophobicContact CZ2-CD1 4.15Å; W585-P601 PolarHBondContact NE1-O 3.04Å; W585-L603 HydrophobicContact CB-CD1 4.07Å; W585-L603 HydrophobicContact CD2-CD1 3.87Å; W585-L603 HydrophobicContact CG-CD1 3.57Å; W585-L603 HydrophobicContact CG-CG 4.12Å
586	N	92.2	Very high	89.4	Confident	6 Å²	6	25.6 Å²	25.6	3%	0.032	12%	0.121	C	C	.	.	H	α-helix	trans	-63.1	-40.3	179.8	-71.4	-25.1	0	0	0	110.8	I582 Q583 K589 I590 Y602 L603	I582-N586 WeakPolarHBondContact CG2-ND2 3.44Å; I582-N586 VanDerWaalsContact O-CB 3.26Å; I582-N586 WeakPolarHBondContact O-CB 3.19Å; I582-N586 VanDerWaalsContact O-CG 3.29Å; I582-N586 PolarHBondContact O-N 2.86Å; I582-N586 PolarHBondContact O-ND2 3.5Å; Q583-N586 PolarHBondContact O-N 3.25Å; N586-K589 PolarHBondContact O-N 3.2Å; N586-I590 WeakPolarHBondContact O-CB 3.48Å; N586-I590 WeakPolarHBondContact O-CD1 3.08Å; N586-I590 WeakPolarHBondContact O-CG1 3.44Å; N586-I590 PolarHBondContact O-N 3.27Å; N586-Y602 HydrophobicContact CB-CD1 4.35Å; N586-Y602 WeakPolarHBondContact OD1-CA 3.44Å; N586-Y602 WeakPolarHBondContact OD1-CD1 3.41Å; N586-L603 PolarHBondContact ND2-O 3.45Å; N586-L603 PolarHBondContact OD1-N 3.1Å
587	F	89.4	Confident	88.6	Confident	11 Å²	11	30 Å²	30	5%	0.048	15%	0.145	C	C	.	.	H	α-helix	trans	-57.6	-52.1	171.6	173.9	-92	0	0	0	112	Q583 W585 K589 I590 F591 R634 W635	Q583-F587 WeakPolarHBondContact O-CB 3.3Å; Q583-F587 PolarHBondContact O-N 3.48Å; W585-F587 VanDerWaalsContact C-N 3.33Å; W585-F587 PolarHBondContact O-N 3.17Å; F587-K589 VanDerWaalsContact C-N 3.34Å; F587-K589 PolarHBondContact O-N 2.89Å; F587-I590 WeakPolarHBondContact O-CA 3.42Å; F587-I590 WeakPolarHBondContact O-CB 3.48Å; F587-I590 PolarHBondContact O-N 2.61Å; F587-F591 AromaticContact CD2-CD2 3.81Å; F587-F591 HydrophobicContact CD2-CD2 3.81Å; F587-F591 AromaticContact CD2-CE2 3.61Å; F587-F591 HydrophobicContact CD2-CE2 3.61Å; F587-F591 HydrophobicContact CE1-CD2 4.36Å; F587-F591 AromaticContact CE2-CD2 3.65Å; F587-F591 HydrophobicContact CE2-CD2 3.65Å; F587-F591 AromaticContact CE2-CE2 3.3Å; F587-F591 HydrophobicContact CE2-CE2 3.3Å; F587-F591 AromaticContact CE2-CZ 3.95Å; F587-F591 HydrophobicContact CE2-CZ 3.95Å; F587-F591 HydrophobicContact CG-CD2 4.24Å; F587-F591 HydrophobicContact CG-CE2 4.47Å; F587-F591 AromaticContact CZ-CD2 3.94Å; F587-F591 HydrophobicContact CZ-CD2 3.94Å; F587-F591 AromaticContact CZ-CE2 3.94Å; F587-F591 HydrophobicContact CZ-CE2 3.94Å; F587-F591 HydrophobicContact CZ-CG 4.47Å; F587-F591 HydrophobicContact CZ-CZ 4.45Å; F587-F591 WeakPolarHBondContact O-CD2 3.42Å; F587-F591 PolarHBondContact O-N 3.46Å; F587-R634 VanDerWaalsContact CZ-O 3.29Å; F587-R634 WeakPolarHBondContact CZ-O 3.49Å; F587-W635 WeakPolarHBondContact CE1-O 3.5Å
588	T	89.8	Confident	87.6	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-62.1	-40.6	-178.4	-64.2	0	0	0	0	111.7	L403 M433 H435 R584 W585 I590 K592 Y595	L403-T588 HydrophobicContact CD2-CG2 4.32Å; M433-T588 HydrophobicContact CB-CG2 4.28Å; M433-T588 HydrophobicContact SD-CG2 3.62Å; H435-T588 HydrophobicContact CB-CG2 4.15Å; R584-T588 VanDerWaalsContact O-CB 3.23Å; R584-T588 WeakPolarHBondContact O-CB 3.43Å; R584-T588 PolarHBondContact O-N 2.89Å; R584-T588 PolarHBondContact O-OG1 3.33Å; W585-T588 PolarHBondContact O-N 3.16Å; T588-I590 VanDerWaalsContact C-N 3.34Å; T588-I590 PolarHBondContact O-N 2.73Å; T588-K592 HydrophobicContact CG2-CD 4.44Å; T588-K592 PolarHBondContact O-N 3.36Å; T588-K592 VanDerWaalsContact O-N 3.13Å; T588-Y595 HydrophobicContact CG2-CD2 3.9Å; T588-Y595 HydrophobicContact CG2-CE2 4.01Å
589	K	88.9	Confident	87	Confident	2 Å²	2	35.9 Å²	35.9	1%	0.009	18%	0.175	C	C	.	.	H	α-helix	trans	-58.8	-42.8	170.6	-170	179.2	164.5	63.1	0	112.4	M433 W585 N586 F587 Y595 K596 D597 Y600 Y602	M433-K589 HydrophobicContact CE-CB 4.03Å; M433-K589 HydrophobicContact CE-CG 4.4Å; W585-K589 WeakPolarHBondContact O-CB 3.41Å; W585-K589 PolarHBondContact O-N 2.57Å; N586-K589 PolarHBondContact O-N 3.2Å; F587-K589 VanDerWaalsContact C-N 3.34Å; F587-K589 PolarHBondContact O-N 2.89Å; K589-Y595 VanDerWaalsContact CG-O 3.3Å; K589-Y595 WeakPolarHBondContact CG-O 3.3Å; K589-Y595 PolarHBondContact NZ-O 3.28Å; K589-K596 PolarHBondContact NZ-O 1.81Å; K589-K596 WeakPolarHBondContact O-CG 3.47Å; K589-D597 PolarHBondContact NZ-O 3.06Å; K589-Y600 WeakPolarHBondContact CE-O 3.49Å; K589-Y600 PolarHBondContact NZ-O 3.3Å; K589-Y602 HydrophobicContact CD-CD1 4.05Å; K589-Y602 HydrophobicContact CD-CD2 4.08Å; K589-Y602 HydrophobicContact CD-CE1 3.98Å; K589-Y602 HydrophobicContact CD-CE2 4.02Å; K589-Y602 HydrophobicContact CD-CG 4.11Å
590	I	82.1	Confident	86.6	Confident	6 Å²	6	36.1 Å²	36.1	3%	0.031	18%	0.176	C	C	.	.	H	α-helix	trans	-70.4	-35	-174.7	-86	171.4	0	0	0	112.5	F261 R292 N586 F587 T588 K596 Y602	F261-I590 HydrophobicContact CD2-CD1 4.03Å; F261-I590 HydrophobicContact CE2-CD1 3.78Å; R292-I590 PolarHBondContact NH2-O 3.4Å; N586-I590 WeakPolarHBondContact O-CB 3.48Å; N586-I590 WeakPolarHBondContact O-CD1 3.08Å; N586-I590 WeakPolarHBondContact O-CG1 3.44Å; N586-I590 PolarHBondContact O-N 3.27Å; F587-I590 WeakPolarHBondContact O-CA 3.42Å; F587-I590 WeakPolarHBondContact O-CB 3.48Å; F587-I590 PolarHBondContact O-N 2.61Å; T588-I590 VanDerWaalsContact C-N 3.34Å; T588-I590 PolarHBondContact O-N 2.73Å; I590-K596 WeakPolarHBondContact O-CE 3.3Å; I590-Y602 HydrophobicContact CD1-CE1 4.14Å; I590-Y602 HydrophobicContact CG1-CE1 4Å
591	F	76.3	Confident	86.3	Confident	102 Å²	102	37.7 Å²	37.7	45%	0.447	19%	0.186	S	C	.	.	H	α-helix	trans	-87	-58.8	179.9	-82	-97.3	0	0	0	112.4	F587 V593 K596	F587-F591 AromaticContact CD2-CD2 3.81Å; F587-F591 HydrophobicContact CD2-CD2 3.81Å; F587-F591 AromaticContact CD2-CE2 3.61Å; F587-F591 HydrophobicContact CD2-CE2 3.61Å; F587-F591 HydrophobicContact CE1-CD2 4.36Å; F587-F591 AromaticContact CE2-CD2 3.65Å; F587-F591 HydrophobicContact CE2-CD2 3.65Å; F587-F591 AromaticContact CE2-CE2 3.3Å; F587-F591 HydrophobicContact CE2-CE2 3.3Å; F587-F591 AromaticContact CE2-CZ 3.95Å; F587-F591 HydrophobicContact CE2-CZ 3.95Å; F587-F591 HydrophobicContact CG-CD2 4.24Å; F587-F591 HydrophobicContact CG-CE2 4.47Å; F587-F591 AromaticContact CZ-CD2 3.94Å; F587-F591 HydrophobicContact CZ-CD2 3.94Å; F587-F591 AromaticContact CZ-CE2 3.94Å; F587-F591 HydrophobicContact CZ-CE2 3.94Å; F587-F591 HydrophobicContact CZ-CG 4.47Å; F587-F591 HydrophobicContact CZ-CZ 4.45Å; F587-F591 WeakPolarHBondContact O-CD2 3.42Å; F587-F591 PolarHBondContact O-N 3.46Å; F591-V593 PolarHBondContact O-N 3.42Å; F591-K596 VanDerWaalsContact O-CE 3.29Å; F591-K596 WeakPolarHBondContact O-CE 3.44Å; F591-K596 PolarHBondContact O-NZ 2.98Å; F591-K596 VanDerWaalsContact O-NZ 3.12Å
592	K	78.4	Confident	86	Confident	20 Å²	20	39.4 Å²	39.4	9%	0.087	19%	0.193	C	C	.	.			trans	-73.1	117.4	-172.9	-71.5	-172.5	169.3	-160.2	0	112.6	R434 P436 D437 T588 K594 Y595	R434-K592 PolarHBondContact O-NZ 3.37Å; P436-K592 VanDerWaalsContact C-NZ 3.26Å; P436-K592 PolarHBondContact O-NZ 2.86Å; D437-K592 IonicContact OD1-NZ 2.78Å; D437-K592 PolarHBondContact OD1-NZ 2.99Å; D437-K592 VanDerWaalsContact OD1-NZ 3.17Å; D437-K592 WeakPolarHBondContact OD2-CD 3.46Å; D437-K592 WeakPolarHBondContact OD2-CE 3.41Å; D437-K592 IonicContact OD2-NZ 3.37Å; D437-K592 PolarHBondContact OD2-NZ 3.34Å; T588-K592 HydrophobicContact CG2-CD 4.44Å; T588-K592 PolarHBondContact O-N 3.36Å; T588-K592 VanDerWaalsContact O-N 3.13Å; K592-K594 PolarHBondContact O-N 3.16Å; K592-Y595 HydrophobicContact CB-CD2 3.71Å; K592-Y595 HydrophobicContact CB-CE2 4.24Å; K592-Y595 HydrophobicContact CB-CG 4.37Å; K592-Y595 HydrophobicContact CD-CD2 3.92Å; K592-Y595 HydrophobicContact CD-CE2 3.6Å; K592-Y595 HydrophobicContact CG-CD2 4.4Å; K592-Y595 PolarHBondContact O-N 2.88Å
593	V	75.6	Confident	85.9	Confident	115 Å²	115	39.4 Å²	39.4	70%	0.697	19%	0.193	S	C	*	.	G	3₁₀ helix	trans	-55.3	-38.4	-178.4	178.5	0	0	0	0	112.5	F591 Y595 K596	F591-V593 PolarHBondContact O-N 3.42Å; V593-Y595 PolarHBondContact O-N 2.96Å; V593-Y595 VanDerWaalsContact O-N 3.08Å; V593-K596 PolarHBondContact O-N 2.91Å
594	K	80.1	Confident	85.9	Confident	141 Å²	141	38.1 Å²	38.1	61%	0.613	19%	0.187	S	C	*	.	G	3₁₀ helix	trans	-56	-22.1	176.6	-173.9	174.7	-179.8	176.1	0	114.4	K592	K592-K594 PolarHBondContact O-N 3.16Å
595	Y	83.5	Confident	86	Confident	7 Å²	7	38.2 Å²	38.2	3%	0.027	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-110	-4.5	-175.9	-57.1	-33.1	0	0	0	113.6	M433 R434 T588 K589 K592 V593 D597 Y600	M433-Y595 HydrophobicContact CB-CD2 4.42Å; M433-Y595 HydrophobicContact CB-CE2 3.95Å; M433-Y595 HydrophobicContact CE-CD2 4.46Å; M433-Y595 HydrophobicContact CE-CG 4.23Å; M433-Y595 HydrophobicContact CG-CD1 4.39Å; M433-Y595 HydrophobicContact CG-CD2 3.92Å; M433-Y595 HydrophobicContact CG-CE1 4.37Å; M433-Y595 HydrophobicContact CG-CE2 3.9Å; M433-Y595 HydrophobicContact CG-CG 4.18Å; M433-Y595 HydrophobicContact SD-CD2 3.68Å; M433-Y595 HydrophobicContact SD-CE2 4.17Å; M433-Y595 HydrophobicContact SD-CG 4.03Å; R434-Y595 PolarHBondContact N-OH 2.79Å; T588-Y595 HydrophobicContact CG2-CD2 3.9Å; T588-Y595 HydrophobicContact CG2-CE2 4.01Å; K589-Y595 VanDerWaalsContact CG-O 3.3Å; K589-Y595 WeakPolarHBondContact CG-O 3.3Å; K589-Y595 PolarHBondContact NZ-O 3.28Å; K592-Y595 HydrophobicContact CB-CD2 3.71Å; K592-Y595 HydrophobicContact CB-CE2 4.24Å; K592-Y595 HydrophobicContact CB-CG 4.37Å; K592-Y595 HydrophobicContact CD-CD2 3.92Å; K592-Y595 HydrophobicContact CD-CE2 3.6Å; K592-Y595 HydrophobicContact CG-CD2 4.4Å; K592-Y595 PolarHBondContact O-N 2.88Å; V593-Y595 PolarHBondContact O-N 2.96Å; V593-Y595 VanDerWaalsContact O-N 3.08Å; Y595-D597 PolarHBondContact O-N 2.99Å; Y595-Y600 HydrophobicContact CD1-CD2 4.04Å; Y595-Y600 HydrophobicContact CD1-CE1 4.13Å; Y595-Y600 AromaticContact CD1-CE2 3.52Å; Y595-Y600 HydrophobicContact CD1-CE2 3.52Å; Y595-Y600 AromaticContact CD1-CZ 3.58Å; Y595-Y600 HydrophobicContact CE1-CE1 4.33Å; Y595-Y600 HydrophobicContact CE1-CE2 4.19Å; Y595-Y600 AromaticContact CE1-CZ 3.8Å; Y595-Y600 HydrophobicContact CG-CE2 4.43Å
596	K	76.8	Confident	85.8	Confident	93 Å²	93	38.3 Å²	38.3	40%	0.404	19%	0.188	S	C	.	.			trans	-65.6	-27.8	-179.4	-70.1	177.2	-171.8	168.9	0	113.1	K589 I590 F591 V593	K589-K596 PolarHBondContact NZ-O 1.81Å; K589-K596 WeakPolarHBondContact O-CG 3.47Å; I590-K596 WeakPolarHBondContact O-CE 3.3Å; F591-K596 VanDerWaalsContact O-CE 3.29Å; F591-K596 WeakPolarHBondContact O-CE 3.44Å; F591-K596 PolarHBondContact O-NZ 2.98Å; F591-K596 VanDerWaalsContact O-NZ 3.12Å; V593-K596 PolarHBondContact O-N 2.91Å
597	D	79.6	Confident	85.7	Confident	94 Å²	94	38 Å²	38	50%	0.503	19%	0.187	S	C	.	.	S	Bend	trans	-53.6	152.2	175.8	-169.5	17.6	0	0	0	113.5	K589 Y595 F599 Y600	K589-D597 PolarHBondContact NZ-O 3.06Å; Y595-D597 PolarHBondContact O-N 2.99Å; D597-F599 PolarHBondContact O-N 3.14Å; D597-Y600 PolarHBondContact O-N 3.43Å
598	N	77.9	Confident	85.5	Confident	95 Å²	95	38.5 Å²	38.5	51%	0.508	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-17.5	-173.2	-72.2	4.6	0	0	0	112.8	E258 Y600	E258-N598 PolarHBondContact OE1-ND2 3.29Å; E258-N598 PolarHBondContact OE2-ND2 3.27Å; N598-Y600 PolarHBondContact O-N 3.33Å; N598-Y600 VanDerWaalsContact O-N 3.15Å
599	F	84.2	Confident	85.1	Confident	27 Å²	27	42.4 Å²	42.4	12%	0.118	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-28.8	173.3	177.7	-85.6	0	0	0	114.1	F25 S26 M424 K431 D597	F25-F599 HydrophobicContact CB-CE2 3.73Å; F25-F599 HydrophobicContact CB-CZ 3.78Å; F25-F599 HydrophobicContact CG-CZ 4.37Å; S26-F599 WeakPolarHBondContact O-CE2 3.41Å; M424-F599 HydrophobicContact CE-CE1 3.46Å; M424-F599 VanDerWaalsContact CE-CE1 3.46Å; M424-F599 HydrophobicContact CE-CZ 3.63Å; K431-F599 HydrophobicContact CD-CD1 4.26Å; K431-F599 HydrophobicContact CD-CE1 3.68Å; K431-F599 HydrophobicContact CD-CZ 3.91Å; K431-F599 WeakPolarHBondContact CE-O 3.34Å; K431-F599 VanDerWaalsContact NZ-CE2 3.3Å; K431-F599 PolarHBondContact NZ-O 3.41Å; D597-F599 PolarHBondContact O-N 3.14Å
600	Y	89.3	Confident	84.4	Confident	13 Å²	13	45.7 Å²	45.7	5%	0.051	23%	0.228	C	C	.	.	S	Bend	trans	-101.7	114.4	170.2	-62.3	-92.3	0	0	0	108.3	K420 K431 M433 W585 K589 Y595 D597 N598	K420-Y600 PolarHBondContact NZ-OH 3Å; K431-Y600 HydrophobicContact CB-CD1 4.33Å; M433-Y600 HydrophobicContact CE-CD1 3.45Å; M433-Y600 VanDerWaalsContact CE-CD1 3.45Å; M433-Y600 HydrophobicContact CE-CE1 4.32Å; M433-Y600 HydrophobicContact CE-CG 3.63Å; M433-Y600 HydrophobicContact CG-CD1 3.93Å; M433-Y600 HydrophobicContact CG-CE1 3.92Å; W585-Y600 HydrophobicContact CH2-CD1 4.14Å; W585-Y600 HydrophobicContact CZ2-CD1 4.15Å; K589-Y600 WeakPolarHBondContact CE-O 3.49Å; K589-Y600 PolarHBondContact NZ-O 3.3Å; Y595-Y600 HydrophobicContact CD1-CD2 4.04Å; Y595-Y600 HydrophobicContact CD1-CE1 4.13Å; Y595-Y600 AromaticContact CD1-CE2 3.52Å; Y595-Y600 HydrophobicContact CD1-CE2 3.52Å; Y595-Y600 AromaticContact CD1-CZ 3.58Å; Y595-Y600 HydrophobicContact CE1-CE1 4.33Å; Y595-Y600 HydrophobicContact CE1-CE2 4.19Å; Y595-Y600 AromaticContact CE1-CZ 3.8Å; Y595-Y600 HydrophobicContact CG-CE2 4.43Å; D597-Y600 PolarHBondContact O-N 3.43Å; N598-Y600 PolarHBondContact O-N 3.33Å; N598-Y600 VanDerWaalsContact O-N 3.15Å
601	P	90.1	Very high	84.1	Confident	33 Å²	33	45.4 Å²	45.4	21%	0.214	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-66.9	161.3	179.2	27.9	-34.9	0	0	0	111.7	W585 L603	W585-P601 PolarHBondContact NE1-O 3.04Å; P601-L603 HydrophobicContact CG-CD2 4.42Å
602	Y	91.8	Very high	84	Confident	35 Å²	35	45.9 Å²	45.9	14%	0.137	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-82.3	137.3	157.3	-77.4	-85.2	0	0	0	108.6	I259 N260 V262 N586 K589 I590	I259-Y602 HydrophobicContact CG2-CD2 4.37Å; I259-Y602 HydrophobicContact CG2-CG 4.4Å; I259-Y602 WeakPolarHBondContact O-CD2 3.37Å; N260-Y602 WeakPolarHBondContact O-CE2 3.45Å; N260-Y602 PolarHBondContact O-OH 2.78Å; N260-Y602 VanDerWaalsContact O-OH 3.12Å; V262-Y602 HydrophobicContact CB-CD1 4.37Å; V262-Y602 HydrophobicContact CG2-CD1 4.14Å; V262-Y602 HydrophobicContact CG2-CG 4.11Å; N586-Y602 HydrophobicContact CB-CD1 4.35Å; N586-Y602 WeakPolarHBondContact OD1-CA 3.44Å; N586-Y602 WeakPolarHBondContact OD1-CD1 3.41Å; K589-Y602 HydrophobicContact CD-CD1 4.05Å; K589-Y602 HydrophobicContact CD-CD2 4.08Å; K589-Y602 HydrophobicContact CD-CE1 3.98Å; K589-Y602 HydrophobicContact CD-CE2 4.02Å; K589-Y602 HydrophobicContact CD-CG 4.11Å; I590-Y602 HydrophobicContact CD1-CE1 4.14Å; I590-Y602 HydrophobicContact CG1-CE1 4Å
603	L	94.6	Very high	83.9	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-96.8	149	178.5	-60.1	175.2	0	0	0	110.9	F363 C401 F581 I582 W585 N586 P601	F363-L603 HydrophobicContact CD1-CD1 4.32Å; F363-L603 HydrophobicContact CE1-CD1 3.76Å; F363-L603 HydrophobicContact CE1-CD2 4.16Å; F363-L603 HydrophobicContact CZ-CD1 4.01Å; F363-L603 HydrophobicContact CZ-CD2 4.41Å; C401-L603 HydrophobicContact CB-CD1 4.17Å; F581-L603 HydrophobicContact CD1-CD1 4.06Å; F581-L603 HydrophobicContact CE1-CD1 3.55Å; I582-L603 HydrophobicContact CB-CB 4.49Å; I582-L603 HydrophobicContact CG1-CB 3.96Å; I582-L603 HydrophobicContact CG2-CB 4.13Å; I582-L603 WeakPolarHBondContact CG2-O 3.4Å; W585-L603 HydrophobicContact CB-CD1 4.07Å; W585-L603 HydrophobicContact CD2-CD1 3.87Å; W585-L603 HydrophobicContact CG-CD1 3.57Å; W585-L603 HydrophobicContact CG-CG 4.12Å; N586-L603 PolarHBondContact ND2-O 3.45Å; N586-L603 PolarHBondContact OD1-N 3.1Å; P601-L603 HydrophobicContact CG-CD2 4.42Å
604	L	94.7	Very high	84.2	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.238	C	C	.	.			trans	-120.3	138.6	-178.5	-56.1	-173.9	0	0	0	110.2	F49 I52 L204 F248 L250 I259 V262 Q457	F49-L604 HydrophobicContact CZ-CB 4.49Å; I52-L604 HydrophobicContact CD1-CB 4.14Å; I52-L604 HydrophobicContact CD1-CD1 3.93Å; I52-L604 HydrophobicContact CD1-CG 4.03Å; I52-L604 HydrophobicContact CG2-CD1 4.35Å; L204-L604 HydrophobicContact CD1-CD1 4.23Å; L204-L604 HydrophobicContact CD2-CB 4.34Å; L204-L604 HydrophobicContact CD2-CD1 4.31Å; F248-L604 HydrophobicContact CD2-CD2 4.41Å; F248-L604 HydrophobicContact CE2-CD1 4.37Å; F248-L604 HydrophobicContact CE2-CD2 3.9Å; F248-L604 HydrophobicContact CZ-CB 4.29Å; F248-L604 HydrophobicContact CZ-CD1 4.27Å; F248-L604 HydrophobicContact CZ-CD2 4.34Å; L250-L604 HydrophobicContact CD2-CD1 3.87Å; L250-L604 HydrophobicContact CD2-CD2 3.61Å; L250-L604 HydrophobicContact CD2-CG 4.42Å; I259-L604 HydrophobicContact CD1-CD1 3.99Å; I259-L604 HydrophobicContact CD1-CG 4.42Å; V262-L604 HydrophobicContact CB-CD2 4.45Å; V262-L604 HydrophobicContact CG1-CD2 4.01Å; V262-L604 HydrophobicContact CG2-CD2 3.52Å; Q457-L604 PolarHBondContact NE2-O 3.1Å
605	P	94.4	Very high	84.2	Confident	2 Å²	2	44.3 Å²	44.3	1%	0.013	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-75	142.3	170.3	32.9	-33.7	0	0	0	110	F248 L264 I582	F248-P605 HydrophobicContact CD1-CG 3.5Å; F248-P605 HydrophobicContact CE1-CG 3.95Å; F248-P605 HydrophobicContact CG-CG 4.23Å; L264-P605 HydrophobicContact CD2-CG 4.02Å; I582-P605 HydrophobicContact CD1-CB 4.08Å
606	K	92.8	Very high	84.5	Confident	2 Å²	2	46.3 Å²	46.3	1%	0.009	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-70.6	146.5	166.1	-66	-177.1	-173.2	-172.7	0	110.2	F49 E203 D456 Q457	F49-K606 HydrophobicContact CD2-CD 4.38Å; F49-K606 HydrophobicContact CD2-CG 3.83Å; F49-K606 HydrophobicContact CE2-CD 4.43Å; F49-K606 HydrophobicContact CE2-CG 3.54Å; F49-K606 HydrophobicContact CZ-CG 4.05Å; E203-K606 HydrophobicContact CB-CD 4.19Å; E203-K606 HydrophobicContact CB-CG 4.28Å; E203-K606 CarbonylContact O-C 3.59Å; E203-K606 VanDerWaalsContact O-CA 3.3Å; E203-K606 WeakPolarHBondContact O-CA 3.37Å; E203-K606 WeakPolarHBondContact O-CB 3.33Å; E203-K606 WeakPolarHBondContact OE2-CD 3.18Å; E203-K606 VanDerWaalsContact OE2-CE 3.23Å; E203-K606 WeakPolarHBondContact OE2-CE 3.42Å; E203-K606 IonicContact OE2-NZ 3.11Å; E203-K606 PolarHBondContact OE2-NZ 3.41Å; D456-K606 VanDerWaalsContact O-CE 3.3Å; D456-K606 WeakPolarHBondContact O-CE 3.06Å; D456-K606 PolarHBondContact O-NZ 3.22Å; Q457-K606 HydrophobicContact CB-CD 4.1Å; Q457-K606 HydrophobicContact CB-CG 4.4Å; Q457-K606 HydrophobicContact CG-CD 4.36Å; Q457-K606 HydrophobicContact CG-CG 4.44Å
607	S	89.3	Confident	85.3	Confident	0 Å²	0	46 Å²	46	0%	0	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-65.3	139.4	-179.5	-179.8	0	0	0	0	111.1	E203 G205 D246 R575 T609 E610	E203-S607 PolarHBondContact O-N 3.22Å; G205-S607 VanDerWaalsContact CA-CB 3.48Å; D246-S607 WeakPolarHBondContact OD2-CA 3.24Å; D246-S607 VanDerWaalsContact OD2-CB 3.24Å; D246-S607 WeakPolarHBondContact OD2-CB 3.34Å; D246-S607 PolarHBondContact OD2-OG 2.82Å; R575-S607 PolarHBondContact NH1-O 2.86Å; S607-T609 PolarHBondContact O-N 3.21Å; S607-T609 VanDerWaalsContact O-N 3.15Å; S607-T609 PolarHBondContact OG-OG1 3.49Å; S607-E610 PolarHBondContact O-N 2.97Å
608	H	85.8	Confident	86.1	Confident	22 Å²	22	41.6 Å²	41.6	10%	0.102	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-70.5	-4.3	-178.7	-79.1	65.9	0	0	0	114.2	F320 R333 D576 A611	F320-H608 AromaticContact CE2-CE1 3.61Å; F320-H608 AromaticContact CZ-CE1 3.56Å; F320-H608 AromaticContact CZ-NE2 3.69Å; R333-H608 PolarHBondContact NH2-CD2 3.48Å; R333-H608 PolarHBondContact NH2-NE2 2.9Å; D576-H608 IonicContact OD1-CD2 2.63Å; D576-H608 IonicContact OD1-CE1 3.17Å; D576-H608 IonicContact OD1-NE2 2.72Å; D576-H608 PolarHBondContact OD1-NE2 2.92Å; H608-A611 VanDerWaalsContact O-CB 3.29Å; H608-A611 WeakPolarHBondContact O-CB 3.46Å
609	T	80.8	Confident	86.8	Confident	81 Å²	81	40.7 Å²	40.7	50%	0.497	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-68.2	-48.7	172.5	61.5	0	0	0	0	111.7	S607 A611	S607-T609 PolarHBondContact O-N 3.21Å; S607-T609 VanDerWaalsContact O-N 3.15Å; S607-T609 PolarHBondContact OG-OG1 3.49Å; T609-A611 PolarHBondContact O-N 3.13Å
610	E	74.8	Confident	87.2	Confident	72 Å²	72	42.2 Å²	42.2	34%	0.336	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-82.1	26.1	-176.1	-48.9	-45.9	117.6	0	0	112.5	R575 S607	R575-E610 VanDerWaalsContact CZ-O 3.3Å; R575-E610 PolarHBondContact NH1-O 3.28Å; R575-E610 PolarHBondContact NH2-O 3.23Å; S607-E610 PolarHBondContact O-N 2.97Å
611	A	74.4	Confident	87.5	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-85.6	-18	-167.5	0	0	0	0	0	114	G571 K572 H608 T609	G571-A611 WeakPolarHBondContact CA-O 3.19Å; K572-A611 HydrophobicContact CB-CB 4.43Å; K572-A611 HydrophobicContact CD-CB 4.46Å; K572-A611 HydrophobicContact CG-CB 3.42Å; K572-A611 VanDerWaalsContact CG-CB 3.42Å; H608-A611 VanDerWaalsContact O-CB 3.29Å; H608-A611 WeakPolarHBondContact O-CB 3.46Å; T609-A611 PolarHBondContact O-N 3.13Å
612	D	74.5	Confident	87.7	Confident	112 Å²	112	44.8 Å²	44.8	60%	0.599	26%	0.255	S	S	*	.	S	Bend	trans	-92.3	-4.1	-175.7	-53.1	-38.1	0	0	0	112	K572 L614	K572-D612 IonicContact NZ-OD1 3.9Å; K572-D612 PolarHBondContact NZ-OD1 3.46Å; K572-D612 IonicContact NZ-OD2 3.62Å; K572-D612 PolarHBondContact NZ-OD2 2.87Å; D612-L614 PolarHBondContact O-N 2.72Å
613	L	76.3	Confident	87.9	Confident	118 Å²	118	47.5 Å²	47.5	62%	0.618	27%	0.267	S	S	*	.			trans	-81.6	108.1	167.3	-63	175.3	0	0	0	109.4	P615	L613-P615 WeakPolarHBondContact O-CD 3.47Å
614	L	81.6	Confident	88	Confident	47 Å²	47	47.5 Å²	47.5	25%	0.246	27%	0.267	C	S	.	.			trans	-110.1	105.1	-179.5	-58.7	-178.8	0	0	0	110.7	L337 H570 D612 F616 I617	L337-L614 HydrophobicContact CD1-CD1 3.88Å; H570-L614 HydrophobicContact CB-CD1 3.9Å; H570-L614 HydrophobicContact CB-CD2 4.04Å; D612-L614 PolarHBondContact O-N 2.72Å; L614-F616 PolarHBondContact O-N 2.88Å; L614-I617 HydrophobicContact CB-CD1 4.38Å; L614-I617 HydrophobicContact CB-CG1 3.94Å; L614-I617 HydrophobicContact CD1-CD1 4.28Å; L614-I617 HydrophobicContact CD1-CG1 4.09Å
615	P	80.5	Confident	88.1	Confident	77 Å²	77	49.6 Å²	49.6	50%	0.5	28%	0.276	S	S	.	.	S	Bend	trans	-70.4	-16.5	179.5	-19.5	33	0	0	0	114.4	L613	L613-P615 WeakPolarHBondContact O-CD 3.47Å
616	F	89.7	Confident	88.3	Confident	49 Å²	49	49.5 Å²	49.5	22%	0.215	28%	0.276	C	S	.	.			trans	-148.6	144.3	177	175.4	-98.3	0	0	0	107.7	D353 A354 E357 V459 L614 V618	D353-F616 HydrophobicContact CB-CZ 4.45Å; A354-F616 HydrophobicContact CB-CD1 4.1Å; A354-F616 HydrophobicContact CB-CE1 3.67Å; A354-F616 HydrophobicContact CB-CZ 4.31Å; E357-F616 HydrophobicContact CB-CD2 4.24Å; E357-F616 HydrophobicContact CB-CG 4.5Å; E357-F616 HydrophobicContact CG-CD2 3.96Å; E357-F616 HydrophobicContact CG-CE2 4.43Å; V459-F616 HydrophobicContact CG2-CD1 4.32Å; L614-F616 PolarHBondContact O-N 2.88Å; F616-V618 HydrophobicContact CE1-CG2 3.95Å
617	I	94.8	Very high	88.6	Confident	87 Å²	87	49.4 Å²	49.4	45%	0.446	28%	0.275	S	S	.	.			trans	-130.5	129.2	175.9	-59.6	176.7	0	0	0	107.2	L337 L614	L337-I617 HydrophobicContact CD1-CD1 4.19Å; L337-I617 HydrophobicContact CD1-CG2 4.04Å; L614-I617 HydrophobicContact CB-CD1 4.38Å; L614-I617 HydrophobicContact CB-CG1 3.94Å; L614-I617 HydrophobicContact CD1-CD1 4.28Å; L614-I617 HydrophobicContact CD1-CG1 4.09Å
618	V	95.1	Very high	89	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.006	28%	0.276	C	S	.	.			trans	-64	131.3	177.4	171.3	0	0	0	0	110	K339 Y341 D350 V459 F461 A568 H570 F616 G620 S621	K339-V618 HydrophobicContact CB-CG1 4.4Å; K339-V618 HydrophobicContact CD-CG1 3.58Å; Y341-V618 VanDerWaalsContact OH-CG1 3.23Å; Y341-V618 WeakPolarHBondContact OH-CG1 3.36Å; D350-V618 HydrophobicContact CB-CG1 4.3Å; D350-V618 WeakPolarHBondContact OD2-CG1 3.44Å; V459-V618 HydrophobicContact CG1-CG2 4.01Å; F461-V618 HydrophobicContact CZ-CG2 4.1Å; A568-V618 HydrophobicContact CB-CG2 4.19Å; H570-V618 PolarHBondContact NE2-N 2.65Å; F616-V618 HydrophobicContact CE1-CG2 3.95Å; V618-G620 PolarHBondContact O-N 2.9Å; V618-S621 PolarHBondContact O-N 3.4Å; V618-S621 PolarHBondContact O-OG 2.95Å
619	P	94.1	Very high	89.6	Confident	76 Å²	76	48.4 Å²	48.4	49%	0.494	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	126.1	-175.9	26.2	-34.2	0	0	0	111.6	K339	K339-P619 WeakPolarHBondContact CD-O 3.33Å; K339-P619 WeakPolarHBondContact CE-O 3.19Å; K339-P619 PolarHBondContact NZ-O 3.24Å
620	G	92	Very high	90.4	Very high	60 Å²	60	44.9 Å²	44.9	62%	0.619	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.1	10.2	-180	0	0	0	0	0	115.5	V618	V618-G620 PolarHBondContact O-N 2.9Å
621	S	94.7	Very high	91.5	Very high	21 Å²	21	41.4 Å²	41.4	15%	0.147	23%	0.232	C	C	.	.			trans	-66.1	144.5	167.8	-69.4	0	0	0	0	112.9	T338 K339 H570 V618	T338-S621 CarbonylContact O-C 3.48Å; T338-S621 WeakPolarHBondContact O-CA 3.43Å; T338-S621 WeakPolarHBondContact O-CB 3.1Å; K339-S621 WeakPolarHBondContact CB-OG 3.45Å; H570-S621 PolarHBondContact CE1-OG 2.78Å; H570-S621 VanDerWaalsContact CE1-OG 3.3Å; V618-S621 PolarHBondContact O-N 3.4Å; V618-S621 PolarHBondContact O-OG 2.95Å
622	Q	94.7	Very high	92.4	Very high	78 Å²	78	41.4 Å²	41.4	36%	0.364	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	165.3	176.1	-50.7	178	9.6	0	0	110.1	L337 T338 L834	L337-Q622 CarbonylContact C-O 3.56Å; L337-Q622 WeakPolarHBondContact CA-O 3.28Å; T338-Q622 PolarHBondContact N-O 2.94Å; T338-Q622 PolarHBondContact O-N 3.26Å; Q622-L834 HydrophobicContact CB-CD1 4.13Å; Q622-L834 HydrophobicContact CB-CD2 3.9Å; Q622-L834 HydrophobicContact CB-CG 4.02Å; Q622-L834 HydrophobicContact CG-CD2 3.98Å; Q622-L834 HydrophobicContact CG-CG 4.47Å
623	K	95.8	Very high	93	Very high	92 Å²	92	38.6 Å²	38.6	40%	0.4	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	134.2	-176.6	-74.4	158.4	161.2	-107.2	0	111.3	D335 L337	D335-K623 WeakPolarHBondContact OD1-CD 3.42Å; D335-K623 WeakPolarHBondContact OD1-CE 3.38Å; D335-K623 VanDerWaalsContact OD1-CG 3.29Å; D335-K623 WeakPolarHBondContact OD1-CG 3.32Å; D335-K623 IonicContact OD1-NZ 2.87Å; D335-K623 PolarHBondContact OD1-NZ 3.08Å; D335-K623 IonicContact OD2-NZ 3.87Å; D335-K623 PolarHBondContact OD2-NZ 3.47Å; L337-K623 HydrophobicContact CD2-CG 3.95Å; L337-K623 HydrophobicContact CG-CG 4.5Å
624	A	97	Very high	93.5	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	168.6	174.7	0	0	0	0	0	112.2	T336 T338 V626 V814 L834	T336-A624 PolarHBondContact N-O 3.47Å; T336-A624 PolarHBondContact O-N 2.8Å; T338-A624 HydrophobicContact CG2-CB 4Å; A624-V626 PolarHBondContact O-N 3.36Å; A624-V814 HydrophobicContact CB-CG1 3.62Å; A624-L834 HydrophobicContact CB-CD1 3.9Å
625	K	98	Very high	93.8	Very high	45 Å²	45	38.7 Å²	38.7	20%	0.196	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	119.2	167.9	170.6	-175.1	-88.4	62.9	0	108.4	P332 R333 E334 V814 E815 E817	P332-K625 HydrophobicContact CB-CD 4.1Å; P332-K625 HydrophobicContact CB-CG 3.94Å; R333-K625 CarbonylContact O-C 3.29Å; R333-K625 WeakPolarHBondContact O-CA 3.44Å; E334-K625 WeakPolarHBondContact OE1-CE 3.23Å; E334-K625 IonicContact OE1-NZ 2.7Å; E334-K625 PolarHBondContact OE1-NZ 3.31Å; E334-K625 WeakPolarHBondContact OE2-CE 3.25Å; E334-K625 VanDerWaalsContact OE2-CG 3.28Å; E334-K625 WeakPolarHBondContact OE2-CG 3.01Å; E334-K625 IonicContact OE2-NZ 3.8Å; E334-K625 PolarHBondContact OE2-NZ 3.05Å; K625-V814 WeakPolarHBondContact O-CA 3.31Å; K625-E815 HydrophobicContact CB-CB 4.28Å; K625-E815 HydrophobicContact CD-CB 4.36Å; K625-E815 VanDerWaalsContact CD-OE2 3.28Å; K625-E815 WeakPolarHBondContact CD-OE2 3.41Å; K625-E815 PolarHBondContact N-O 3.42Å; K625-E815 PolarHBondContact O-N 3.47Å; K625-E817 HydrophobicContact CB-CG 3.93Å; K625-E817 PolarHBondContact N-OE2 2.88Å; K625-E817 IonicContact NZ-OE1 3.45Å
626	V	98.3	Very high	94.2	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	124.3	-174	177.5	0	0	0	0	110.2	R333 T336 T338 V569 A573 A624 V812 V814	R333-V626 WeakPolarHBondContact CB-O 3.41Å; R333-V626 PolarHBondContact N-O 3.3Å; R333-V626 PolarHBondContact O-N 3.3Å; T336-V626 HydrophobicContact CG2-CB 3.84Å; T336-V626 HydrophobicContact CG2-CG1 4.3Å; T336-V626 HydrophobicContact CG2-CG2 3.71Å; T338-V626 HydrophobicContact CG2-CG2 4.12Å; V569-V626 HydrophobicContact CB-CG1 4.49Å; V569-V626 HydrophobicContact CG1-CG1 3.86Å; A573-V626 HydrophobicContact CB-CB 4.3Å; A573-V626 HydrophobicContact CB-CG1 3.68Å; A624-V626 PolarHBondContact O-N 3.36Å; V626-V812 HydrophobicContact CG1-CG1 3.5Å; V626-V814 HydrophobicContact CG2-CG1 4.48Å; V626-V814 HydrophobicContact CG2-CG2 4.3Å
627	Q	98.3	Very high	94	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	126.7	173	-168.3	178.9	2.2	0	0	111	R325 A330 P332 L629 V812 L813	R325-Q627 PolarHBondContact O-NE2 2.81Å; A330-Q627 PolarHBondContact O-NE2 3.38Å; P332-Q627 HydrophobicContact CB-CB 4.38Å; P332-Q627 HydrophobicContact CG-CB 4.47Å; P332-Q627 HydrophobicContact CG-CG 4.4Å; Q627-L629 HydrophobicContact CG-CD2 4.09Å; Q627-V812 WeakPolarHBondContact O-CA 2.91Å; Q627-L813 PolarHBondContact N-O 2.87Å; Q627-L813 PolarHBondContact O-N 3.03Å
628	V	98.4	Very high	93.4	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.006	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	133.4	173.2	-176.4	0	0	0	0	109.8	F329 A330 A573 D576 V577 L810	F329-V628 HydrophobicContact CE1-CG1 4.12Å; F329-V628 HydrophobicContact CZ-CB 4.47Å; F329-V628 HydrophobicContact CZ-CG1 3.99Å; A330-V628 HydrophobicContact CB-CB 4.37Å; A573-V628 HydrophobicContact CB-CG2 4.33Å; D576-V628 HydrophobicContact CB-CB 4.2Å; D576-V628 HydrophobicContact CB-CG2 3.91Å; V577-V628 HydrophobicContact CG2-CG1 3.99Å; V577-V628 HydrophobicContact CG2-CG2 3.87Å; V628-L810 HydrophobicContact CG1-CD1 3.87Å
629	L	98.3	Very high	92.9	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	152.5	-174.7	-54.7	172.4	0	0	0	109.5	F326 Q627 I644 A647 A811 L813	F326-L629 HydrophobicContact CD2-CD2 3.98Å; Q627-L629 HydrophobicContact CG-CD2 4.09Å; L629-I644 HydrophobicContact CB-CG1 3.82Å; L629-A647 HydrophobicContact CD1-CB 3.4Å; L629-A647 HydrophobicContact CD2-CB 4.41Å; L629-A811 HydrophobicContact CB-CB 4.45Å; L629-A811 PolarHBondContact N-O 3.49Å; L629-A811 PolarHBondContact O-N 3.42Å; L629-A811 VanDerWaalsContact O-O 3.07Å; L629-L813 HydrophobicContact CD1-CB 3.85Å
630	R	97.4	Very high	92.7	Very high	6 Å²	6	28.5 Å²	28.5	2%	0.023	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	158.2	178	62.4	179.1	-177.8	176.1	2.8	114.1	F329 H580 S639 E641 S643 E809 L810	F329-R630 HydrophobicContact CD1-CG 3.95Å; F329-R630 VanDerWaalsContact CD1-NE 3.32Å; F329-R630 HydrophobicContact CE1-CG 3.98Å; H580-R630 VanDerWaalsContact ND1-CD 3.31Å; H580-R630 WeakPolarHBondContact ND1-CD 3.29Å; H580-R630 PolarHBondContact ND1-NH1 2.94Å; R630-S639 PolarHBondContact NH2-OG 3.49Å; R630-E641 HydrophobicContact CG-CG 4.34Å; R630-E641 WeakPolarHBondContact CG-OE1 3.43Å; R630-E641 IonicContact CZ-OE2 3.88Å; R630-E641 VanDerWaalsContact CZ-OE2 3.25Å; R630-E641 IonicContact NE-OE1 3.83Å; R630-E641 IonicContact NE-OE2 2.78Å; R630-E641 PolarHBondContact NE-OE2 2.85Å; R630-E641 IonicContact NH2-OE2 3.48Å; R630-E641 PolarHBondContact NH2-OE2 3.05Å; R630-S643 PolarHBondContact N-OG 3.22Å; R630-S643 PolarHBondContact O-N 2.57Å; R630-S643 VanDerWaalsContact O-N 3.13Å; R630-S643 PolarHBondContact O-OG 3.48Å; R630-E809 VanDerWaalsContact CA-O 3.25Å; R630-E809 WeakPolarHBondContact CA-O 3.3Å; R630-E809 VanDerWaalsContact CB-O 3.23Å; R630-E809 WeakPolarHBondContact CB-O 3.49Å; R630-L810 HydrophobicContact CB-CD1 4.14Å
631	S	97.3	Very high	92.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	127.3	160.5	-63.4	0	0	0	0	107.8	E641 S801 S808 E809	S631-E641 CarbonylContact C-O 3.5Å; S631-E641 WeakPolarHBondContact CA-O 3.2Å; S631-S801 VanDerWaalsContact CB-O 3.26Å; S631-S801 WeakPolarHBondContact CB-O 3.36Å; S631-S801 PolarHBondContact OG-O 3.12Å; S631-S808 VanDerWaalsContact O-CA 3.3Å; S631-S808 WeakPolarHBondContact O-CA 3.44Å; S631-E809 PolarHBondContact N-O 2.92Å; S631-E809 PolarHBondContact O-N 3.15Å
632	S	93.1	Very high	92.9	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	161.8	173.7	72.8	0	0	0	0	114	T637 S639 C640 E641 G804	S632-T637 WeakPolarHBondContact CB-OG1 3.07Å; S632-T637 PolarHBondContact OG-OG1 3.04Å; S632-S639 CarbonylContact C-O 3.6Å; S632-S639 PolarHBondContact OG-O 3.18Å; S632-C640 CarbonylContact O-C 3.58Å; S632-C640 WeakPolarHBondContact O-CA 3.5Å; S632-E641 PolarHBondContact N-O 3.14Å; S632-E641 PolarHBondContact O-N 2.82Å; S632-G804 CarbonylContact C-O 3.51Å
633	E	88.4	Confident	93	Very high	53 Å²	53	24 Å²	24	25%	0.248	11%	0.113	C	C	.	.			trans	-138.2	177.9	178.5	-142.7	-134.6	131.1	0	0	113.3	W635 S636 T637 G638 S639 G804	E633-W635 PolarHBondContact O-N 2.6Å; E633-W635 VanDerWaalsContact O-N 3.12Å; E633-S636 PolarHBondContact N-OG 2.97Å; E633-S636 PolarHBondContact O-N 3.35Å; E633-S636 PolarHBondContact O-OG 3.03Å; E633-T637 PolarHBondContact O-N 3.42Å; E633-T637 PolarHBondContact O-OG1 2.7Å; E633-G638 PolarHBondContact O-N 3.44Å; E633-S639 CarbonylContact C-O 3.47Å; E633-S639 WeakPolarHBondContact CA-O 3.1Å; E633-S639 PolarHBondContact N-O 3.43Å; E633-G804 WeakPolarHBondContact CB-O 3.49Å
634	R	86.9	Confident	93.1	Very high	125 Å²	125	19.6 Å²	19.6	47%	0.472	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-24.4	175.5	-71.6	177.3	-177.7	143.6	8.4	113.9	F587	F587-R634 VanDerWaalsContact CZ-O 3.29Å; F587-R634 WeakPolarHBondContact CZ-O 3.49Å
635	W	87.1	Confident	93.1	Very high	42 Å²	42	20.1 Å²	20.1	16%	0.159	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-27	175.4	85.4	-100.4	0	0	0	113	H435 P436 V444 W446 A447 H448 F587 E633 R806	H435-W635 AromaticContact CE1-CE3 3.93Å; H435-W635 PolarHBondContact CE1-O 3.26Å; H435-W635 VanDerWaalsContact CE1-O 3.27Å; H435-W635 AromaticContact ND1-CZ3 3.86Å; P436-W635 HydrophobicContact CB-CE3 4.46Å; P436-W635 HydrophobicContact CB-CZ3 4.1Å; P436-W635 HydrophobicContact CG-CZ3 4.24Å; V444-W635 HydrophobicContact CG1-CD2 4.36Å; V444-W635 HydrophobicContact CG1-CE3 4.21Å; V444-W635 HydrophobicContact CG1-CZ3 4.35Å; W446-W635 HydrophobicContact CB-CH2 4.23Å; W446-W635 HydrophobicContact CB-CZ2 3.49Å; W446-W635 VanDerWaalsContact CB-CZ2 3.49Å; W446-W635 AromaticContact CD1-NE1 3.78Å; A447-W635 WeakPolarHBondContact O-CH2 3.49Å; H448-W635 AromaticContact CE1-CH2 3.53Å; H448-W635 AromaticContact CE1-CZ3 3.44Å; H448-W635 VanDerWaalsContact CE1-CZ3 3.44Å; H448-W635 WeakPolarHBondContact CE1-CZ3 3.31Å; H448-W635 AromaticContact ND1-CH2 3.59Å; H448-W635 AromaticContact ND1-CZ3 3.99Å; H448-W635 AromaticContact NE2-CZ3 3.83Å; F587-W635 WeakPolarHBondContact CE1-O 3.5Å; E633-W635 PolarHBondContact O-N 2.6Å; E633-W635 VanDerWaalsContact O-N 3.12Å; W635-R806 WeakPolarHBondContact CZ2-O 3.33Å; W635-R806 PolarHBondContact NE1-O 3.21Å
636	S	88.3	Confident	93.1	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.1	-41.2	-168.8	53.4	0	0	0	0	114.9	E633	E633-S636 PolarHBondContact N-OG 2.97Å; E633-S636 PolarHBondContact O-N 3.35Å; E633-S636 PolarHBondContact O-OG 3.03Å
637	T	86.1	Confident	93.1	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.7	-17.7	177.8	59.8	0	0	0	0	113.1	H580 Q583 R584 S632 E633 S639	H580-T637 WeakPolarHBondContact CE1-CG2 3.36Å; Q583-T637 PolarHBondContact NE2-O 2.85Å; R584-T637 HydrophobicContact CG-CG2 3.7Å; S632-T637 WeakPolarHBondContact CB-OG1 3.07Å; S632-T637 PolarHBondContact OG-OG1 3.04Å; E633-T637 PolarHBondContact O-N 3.42Å; E633-T637 PolarHBondContact O-OG1 2.7Å; T637-S639 VanDerWaalsContact C-N 3.34Å; T637-S639 PolarHBondContact OG1-N 3.19Å; T637-S639 PolarHBondContact OG1-O 3.47Å; T637-S639 PolarHBondContact OG1-OG 3.36Å
638	G	82	Confident	93.1	Very high	5 Å²	5	21 Å²	21	5%	0.052	10%	0.101	C	C	.	.	S	Bend	trans	91	-9.3	-169.5	0	0	0	0	0	114	E633	E633-G638 PolarHBondContact O-N 3.44Å
639	S	84.8	Confident	93.1	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.014	11%	0.107	C	C	.	.	S	Bend	trans	-122.6	150.8	-179.7	49.9	0	0	0	0	110.9	Q583 R630 S632 E633 T637	Q583-S639 PolarHBondContact NE2-OG 2.93Å; R630-S639 PolarHBondContact NH2-OG 3.49Å; S632-S639 CarbonylContact C-O 3.6Å; S632-S639 PolarHBondContact OG-O 3.18Å; E633-S639 CarbonylContact C-O 3.47Å; E633-S639 WeakPolarHBondContact CA-O 3.1Å; E633-S639 PolarHBondContact N-O 3.43Å; T637-S639 VanDerWaalsContact C-N 3.34Å; T637-S639 PolarHBondContact OG1-N 3.19Å; T637-S639 PolarHBondContact OG1-O 3.47Å; T637-S639 PolarHBondContact OG1-OG 3.36Å
640	C	89.4	Confident	93.1	Very high	69 Å²	69	25.1 Å²	25.1	47%	0.466	12%	0.12	S	C	.	.			trans	-97.3	127.5	175.5	-61	0	0	0	0	110.2	S632	S632-C640 CarbonylContact O-C 3.58Å; S632-C640 WeakPolarHBondContact O-CA 3.5Å
641	E	94.3	Very high	93.1	Very high	18 Å²	18	24.9 Å²	24.9	8%	0.084	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	141.9	178.7	-165.1	177.7	147.1	0	0	111.4	G328 F329 R630 S631 S632 S643 G804	G328-E641 VanDerWaalsContact CA-OE1 3.26Å; G328-E641 WeakPolarHBondContact CA-OE1 3.26Å; F329-E641 WeakPolarHBondContact CB-OE2 3.23Å; F329-E641 WeakPolarHBondContact CD1-OE1 3.49Å; F329-E641 PolarHBondContact N-OE1 2.94Å; F329-E641 VanDerWaalsContact N-OE1 3.08Å; R630-E641 HydrophobicContact CG-CG 4.34Å; R630-E641 WeakPolarHBondContact CG-OE1 3.43Å; R630-E641 IonicContact CZ-OE2 3.88Å; R630-E641 VanDerWaalsContact CZ-OE2 3.25Å; R630-E641 IonicContact NE-OE1 3.83Å; R630-E641 IonicContact NE-OE2 2.78Å; R630-E641 PolarHBondContact NE-OE2 2.85Å; R630-E641 IonicContact NH2-OE2 3.48Å; R630-E641 PolarHBondContact NH2-OE2 3.05Å; S631-E641 CarbonylContact C-O 3.5Å; S631-E641 WeakPolarHBondContact CA-O 3.2Å; S632-E641 PolarHBondContact N-O 3.14Å; S632-E641 PolarHBondContact O-N 2.82Å; E641-S643 WeakPolarHBondContact OE1-CB 3.44Å; E641-S643 PolarHBondContact OE1-OG 2.84Å; E641-G804 WeakPolarHBondContact O-CA 3.49Å
642	N	96.3	Very high	93.1	Very high	46 Å²	46	24.9 Å²	24.9	25%	0.246	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	39.2	177	62.7	-1.8	0	0	0	111.6	I644 L645 Q646	N642-I644 PolarHBondContact O-N 3.05Å; N642-L645 PolarHBondContact O-N 2.86Å; N642-L645 VanDerWaalsContact O-N 3.15Å; N642-Q646 PolarHBondContact O-N 2.97Å
643	S	97.6	Very high	93.3	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-65.8	-21.2	-170.9	54.5	0	0	0	0	113.7	F326 R630 E641 A647	F326-S643 WeakPolarHBondContact O-CA 3.5Å; F326-S643 WeakPolarHBondContact O-CB 3.44Å; R630-S643 PolarHBondContact N-OG 3.22Å; R630-S643 PolarHBondContact O-N 2.57Å; R630-S643 VanDerWaalsContact O-N 3.13Å; R630-S643 PolarHBondContact O-OG 3.48Å; E641-S643 WeakPolarHBondContact OE1-CB 3.44Å; E641-S643 PolarHBondContact OE1-OG 2.84Å; S643-A647 WeakPolarHBondContact O-CB 3.4Å; S643-A647 PolarHBondContact O-N 3.11Å
644	I	98.2	Very high	93.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-62.6	-52.8	171.1	-57.7	179.9	0	0	0	111.1	L629 N642 Q646 A647 Y648 A795 M802 E809 A811	L629-I644 HydrophobicContact CB-CG1 3.82Å; N642-I644 PolarHBondContact O-N 3.05Å; I644-Q646 VanDerWaalsContact C-N 3.29Å; I644-Q646 PolarHBondContact O-N 3.27Å; I644-A647 PolarHBondContact O-N 3.47Å; I644-A647 VanDerWaalsContact O-N 3.15Å; I644-Y648 HydrophobicContact CG2-CD2 3.74Å; I644-Y648 HydrophobicContact CG2-CE2 3.85Å; I644-Y648 WeakPolarHBondContact O-CD2 3.26Å; I644-Y648 PolarHBondContact O-N 3.26Å; I644-A795 HydrophobicContact CD1-CB 3.73Å; I644-A795 HydrophobicContact CG2-CB 3.85Å; I644-M802 HydrophobicContact CG2-CE 4.11Å; I644-M802 HydrophobicContact CG2-SD 3.95Å; I644-E809 HydrophobicContact CD1-CB 3.84Å; I644-A811 HydrophobicContact CD1-CB 3.76Å; I644-A811 HydrophobicContact CG1-CB 3.94Å; I644-A811 HydrophobicContact CG2-CB 4.36Å
645	L	97.6	Very high	94.2	Very high	10 Å²	10	24.2 Å²	24.2	5%	0.052	12%	0.124	C	C	.	.	H	α-helix	trans	-59.9	-41.7	-179.4	173.2	58.5	0	0	0	111.6	N642 Y648 I649 N677 I679 M802 L803	N642-L645 PolarHBondContact O-N 2.86Å; N642-L645 VanDerWaalsContact O-N 3.15Å; L645-Y648 PolarHBondContact O-N 3.14Å; L645-I649 HydrophobicContact CD1-CD1 3.65Å; L645-I649 HydrophobicContact CD1-CG1 4.07Å; L645-I649 HydrophobicContact CG-CD1 3.97Å; L645-I649 WeakPolarHBondContact O-CG1 3.35Å; L645-I649 PolarHBondContact O-N 2.81Å; L645-N677 HydrophobicContact CD1-CB 4.14Å; L645-N677 HydrophobicContact CD2-CB 4.43Å; L645-I679 HydrophobicContact CD1-CD1 3.87Å; L645-I679 HydrophobicContact CD1-CG1 3.68Å; L645-M802 HydrophobicContact CB-CB 4.12Å; L645-M802 VanDerWaalsContact CB-O 3.31Å; L645-M802 WeakPolarHBondContact CB-O 3.36Å; L645-M802 HydrophobicContact CB-SD 4.01Å; L645-M802 HydrophobicContact CD1-CB 4.13Å; L645-M802 HydrophobicContact CD1-CG 4.44Å; L645-M802 HydrophobicContact CD1-SD 4.34Å; L645-M802 HydrophobicContact CD2-CB 4.28Å; L645-M802 WeakPolarHBondContact CD2-O 3.1Å; L645-M802 HydrophobicContact CG-CB 4.4Å; L645-L803 HydrophobicContact CD2-CD2 4.46Å
646	Q	97.7	Very high	94.6	Very high	62 Å²	62	27.3 Å²	27.3	29%	0.29	14%	0.141	S	C	.	.	H	α-helix	trans	-63.9	-39.5	177.2	-62.7	-59.6	-62.6	0	0	112	F326 N642 I644 H650	F326-Q646 HydrophobicContact CB-CB 3.81Å; N642-Q646 PolarHBondContact O-N 2.97Å; I644-Q646 VanDerWaalsContact C-N 3.29Å; I644-Q646 PolarHBondContact O-N 3.27Å; Q646-H650 VanDerWaalsContact O-CB 3.28Å; Q646-H650 WeakPolarHBondContact O-CB 3.26Å; Q646-H650 PolarHBondContact O-N 2.95Å; Q646-H650 VanDerWaalsContact O-N 3.08Å
647	A	98.1	Very high	95	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-70.5	-39.5	175.3	0	0	0	0	0	113	F326 L629 S643 I644 T651 I791	F326-A647 HydrophobicContact CB-CB 4.4Å; F326-A647 HydrophobicContact CD1-CB 4.3Å; F326-A647 HydrophobicContact CD2-CB 3.65Å; F326-A647 HydrophobicContact CE2-CB 3.96Å; F326-A647 HydrophobicContact CG-CB 3.84Å; F326-A647 HydrophobicContact CZ-CB 4.43Å; L629-A647 HydrophobicContact CD1-CB 3.4Å; L629-A647 HydrophobicContact CD2-CB 4.41Å; S643-A647 WeakPolarHBondContact O-CB 3.4Å; S643-A647 PolarHBondContact O-N 3.11Å; I644-A647 PolarHBondContact O-N 3.47Å; I644-A647 VanDerWaalsContact O-N 3.15Å; A647-T651 VanDerWaalsContact O-CB 3.31Å; A647-T651 WeakPolarHBondContact O-CB 3.41Å; A647-T651 PolarHBondContact O-N 2.8Å; A647-T651 PolarHBondContact O-OG1 3.06Å; A647-I791 HydrophobicContact CB-CD1 4.11Å
648	Y	98.2	Very high	95.6	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.008	15%	0.15	C	C	.	.	H	α-helix	trans	-59.9	-53.5	175	-99.3	-99.7	0	0	0	111.1	I644 L645 H650 T651 I652 I679 L783 I791 I797 M802	I644-Y648 HydrophobicContact CG2-CD2 3.74Å; I644-Y648 HydrophobicContact CG2-CE2 3.85Å; I644-Y648 WeakPolarHBondContact O-CD2 3.26Å; I644-Y648 PolarHBondContact O-N 3.26Å; L645-Y648 PolarHBondContact O-N 3.14Å; Y648-H650 PolarHBondContact O-N 3.18Å; Y648-T651 PolarHBondContact O-N 2.65Å; Y648-I652 VanDerWaalsContact O-CG1 3.28Å; Y648-I652 WeakPolarHBondContact O-CG1 3.43Å; Y648-I652 PolarHBondContact O-N 3.42Å; Y648-I652 VanDerWaalsContact O-N 3.09Å; Y648-I679 HydrophobicContact CD1-CD1 4.11Å; Y648-I679 HydrophobicContact CG-CD1 4.19Å; Y648-L783 HydrophobicContact CD1-CB 4.37Å; Y648-L783 HydrophobicContact CD1-CD1 3.67Å; Y648-L783 HydrophobicContact CE1-CB 3.73Å; Y648-L783 HydrophobicContact CE1-CD1 3.81Å; Y648-L783 HydrophobicContact CE1-CG 4.42Å; Y648-I791 HydrophobicContact CD2-CD1 3.83Å; Y648-I791 HydrophobicContact CD2-CG2 4.23Å; Y648-I791 HydrophobicContact CE2-CB 4.17Å; Y648-I791 HydrophobicContact CE2-CD1 4.17Å; Y648-I791 HydrophobicContact CE2-CG2 3.64Å; Y648-I791 HydrophobicContact CG-CD1 4.25Å; Y648-I797 HydrophobicContact CE1-CD1 4.23Å; Y648-I797 HydrophobicContact CE1-CG1 4.27Å; Y648-M802 HydrophobicContact CD1-CE 4.39Å; Y648-M802 HydrophobicContact CD2-CE 3.92Å; Y648-M802 HydrophobicContact CE1-CE 4.4Å; Y648-M802 HydrophobicContact CE2-CE 3.93Å; Y648-M802 HydrophobicContact CG-CE 4.16Å
649	I	97.6	Very high	96.3	Very high	25 Å²	25	29.1 Å²	29.1	13%	0.128	15%	0.148	C	C	.	.	H	α-helix	trans	-57.4	-51.9	178.2	-70.1	168	0	0	0	110.3	L645 T651 I652 E653 K678 I679 A682	L645-I649 HydrophobicContact CD1-CD1 3.65Å; L645-I649 HydrophobicContact CD1-CG1 4.07Å; L645-I649 HydrophobicContact CG-CD1 3.97Å; L645-I649 WeakPolarHBondContact O-CG1 3.35Å; L645-I649 PolarHBondContact O-N 2.81Å; I649-T651 VanDerWaalsContact C-N 3.31Å; I649-T651 PolarHBondContact O-N 3.5Å; I649-I652 PolarHBondContact O-N 3.44Å; I649-I652 VanDerWaalsContact O-N 3.15Å; I649-E653 HydrophobicContact CG2-CG 4.13Å; I649-E653 WeakPolarHBondContact CG2-OE1 3.23Å; I649-E653 WeakPolarHBondContact O-CB 3.08Å; I649-E653 WeakPolarHBondContact O-CG 3.42Å; I649-E653 PolarHBondContact O-N 2.87Å; I649-K678 HydrophobicContact CD1-CB 4.01Å; I649-I679 HydrophobicContact CG1-CG1 4.4Å; I649-A682 HydrophobicContact CG2-CB 4.35Å
650	H	97.8	Very high	97	Very high	62 Å²	62	29 Å²	29	29%	0.287	15%	0.147	S	C	.	.	H	α-helix	trans	-58.8	-40.7	-179.5	178.2	82.4	0	0	0	113	F326 Q646 Y648 I652 E653 N654	F326-H650 HydrophobicContact CD1-CB 4.19Å; F326-H650 HydrophobicContact CE1-CB 3.59Å; F326-H650 AromaticContact CE1-CD2 3.41Å; F326-H650 VanDerWaalsContact CE1-CD2 3.41Å; F326-H650 WeakPolarHBondContact CE1-CD2 3.4Å; F326-H650 AromaticContact CE1-CG 3.48Å; F326-H650 VanDerWaalsContact CE1-CG 3.48Å; F326-H650 HydrophobicContact CZ-CB 4.44Å; F326-H650 AromaticContact CZ-CD2 3.61Å; Q646-H650 VanDerWaalsContact O-CB 3.28Å; Q646-H650 WeakPolarHBondContact O-CB 3.26Å; Q646-H650 PolarHBondContact O-N 2.95Å; Q646-H650 VanDerWaalsContact O-N 3.08Å; Y648-H650 PolarHBondContact O-N 3.18Å; H650-I652 VanDerWaalsContact C-N 3.33Å; H650-I652 PolarHBondContact O-N 3.03Å; H650-E653 PolarHBondContact O-N 2.97Å; H650-N654 PolarHBondContact CE1-ND2 2.96Å; H650-N654 PolarHBondContact ND1-ND2 2.97Å; H650-N654 VanDerWaalsContact ND1-ND2 3.2Å; H650-N654 VanDerWaalsContact O-CB 3.31Å; H650-N654 WeakPolarHBondContact O-CB 3.22Å; H650-N654 PolarHBondContact O-N 3.19Å; H650-N654 PolarHBondContact O-ND2 3.31Å
651	T	98	Very high	97.4	Very high	2 Å²	2	25.8 Å²	25.8	1%	0.012	13%	0.125	C	C	.	.	H	α-helix	trans	-67.7	-35.1	-180	-55.4	0	0	0	0	111.6	A647 Y648 I649 S655 L783 A785 R789	A647-T651 VanDerWaalsContact O-CB 3.31Å; A647-T651 WeakPolarHBondContact O-CB 3.41Å; A647-T651 PolarHBondContact O-N 2.8Å; A647-T651 PolarHBondContact O-OG1 3.06Å; Y648-T651 PolarHBondContact O-N 2.65Å; I649-T651 VanDerWaalsContact C-N 3.31Å; I649-T651 PolarHBondContact O-N 3.5Å; T651-S655 PolarHBondContact O-N 3.4Å; T651-L783 HydrophobicContact CG2-CD2 3.59Å; T651-A785 HydrophobicContact CG2-CB 3.74Å; T651-R789 HydrophobicContact CG2-CG 4.27Å
652	I	97.8	Very high	97.6	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-71.4	-47.3	175.2	-64.6	166.8	0	0	0	110.5	Y648 I649 H650 N654 S655 I659 I679 A682 I683 R686 L783	Y648-I652 VanDerWaalsContact O-CG1 3.28Å; Y648-I652 WeakPolarHBondContact O-CG1 3.43Å; Y648-I652 PolarHBondContact O-N 3.42Å; Y648-I652 VanDerWaalsContact O-N 3.09Å; I649-I652 PolarHBondContact O-N 3.44Å; I649-I652 VanDerWaalsContact O-N 3.15Å; H650-I652 VanDerWaalsContact C-N 3.33Å; H650-I652 PolarHBondContact O-N 3.03Å; I652-N654 VanDerWaalsContact C-N 3.3Å; I652-N654 PolarHBondContact O-N 2.94Å; I652-S655 WeakPolarHBondContact O-CB 3.5Å; I652-S655 PolarHBondContact O-N 2.79Å; I652-S655 PolarHBondContact O-OG 3.34Å; I652-I659 HydrophobicContact CG1-CD1 4.1Å; I652-I659 HydrophobicContact CG2-CD1 4.15Å; I652-I679 HydrophobicContact CD1-CG2 3.83Å; I652-A682 HydrophobicContact CB-CB 4.35Å; I652-A682 HydrophobicContact CG2-CB 3.94Å; I652-I683 HydrophobicContact CD1-CD1 4.37Å; I652-I683 HydrophobicContact CD1-CG1 3.98Å; I652-I683 HydrophobicContact CG2-CG1 3.96Å; I652-R686 HydrophobicContact CG2-CB 4.25Å; I652-R686 WeakPolarHBondContact O-CD 3.48Å; I652-R686 WeakPolarHBondContact O-CG 3.43Å; I652-L783 HydrophobicContact CD1-CD1 3.94Å; I652-L783 HydrophobicContact CG1-CD1 3.79Å
653	E	97.1	Very high	97.6	Very high	89 Å²	89	22.7 Å²	22.7	42%	0.416	11%	0.109	S	C	.	.	H	α-helix	trans	-60.4	-37.3	178.3	-72.9	174.8	162.9	0	0	112.9	I649 H650 A682 R689	I649-E653 HydrophobicContact CG2-CG 4.13Å; I649-E653 WeakPolarHBondContact CG2-OE1 3.23Å; I649-E653 WeakPolarHBondContact O-CB 3.08Å; I649-E653 WeakPolarHBondContact O-CG 3.42Å; I649-E653 PolarHBondContact O-N 2.87Å; H650-E653 PolarHBondContact O-N 2.97Å; E653-A682 HydrophobicContact CG-CB 4.46Å; E653-R689 VanDerWaalsContact O-CZ 3.3Å; E653-R689 PolarHBondContact O-NH1 2.81Å; E653-R689 PolarHBondContact O-NH2 3.01Å
654	N	97	Very high	97.5	Very high	74 Å²	74	23.9 Å²	23.9	40%	0.396	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	17.3	-176.1	-63.1	-94.3	0	0	0	112.9	H650 I652 R789	H650-N654 PolarHBondContact CE1-ND2 2.96Å; H650-N654 PolarHBondContact ND1-ND2 2.97Å; H650-N654 VanDerWaalsContact ND1-ND2 3.2Å; H650-N654 VanDerWaalsContact O-CB 3.31Å; H650-N654 WeakPolarHBondContact O-CB 3.22Å; H650-N654 PolarHBondContact O-N 3.19Å; H650-N654 PolarHBondContact O-ND2 3.31Å; I652-N654 VanDerWaalsContact C-N 3.3Å; I652-N654 PolarHBondContact O-N 2.94Å; N654-R789 PolarHBondContact O-NH2 3.48Å
655	S	97.4	Very high	97.1	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.12	C	C	.	.			trans	-73.8	151.4	167.9	62.4	0	0	0	0	111.3	T651 I652 R686 R689 Y697 D786	T651-S655 PolarHBondContact O-N 3.4Å; I652-S655 WeakPolarHBondContact O-CB 3.5Å; I652-S655 PolarHBondContact O-N 2.79Å; I652-S655 PolarHBondContact O-OG 3.34Å; S655-R686 VanDerWaalsContact O-CZ 3.25Å; S655-R686 PolarHBondContact O-NE 3.14Å; S655-R686 PolarHBondContact O-NH2 2.99Å; S655-R686 PolarHBondContact OG-NE 2.83Å; S655-R689 PolarHBondContact O-NH2 2.81Å; S655-Y697 WeakPolarHBondContact OG-CE2 3.49Å; S655-Y697 PolarHBondContact OG-OH 3.41Å; S655-Y697 VanDerWaalsContact OG-OH 3.1Å; S655-D786 WeakPolarHBondContact CA-OD2 3.46Å
656	E	95.8	Very high	96.8	Very high	107 Å²	107	24.7 Å²	24.7	50%	0.5	12%	0.118	S	C	.	.	S	Bend	trans	-112.7	-40.9	-177.2	-65.3	-171.8	138	0	0	112.9	R686 D786 R788	E656-R686 PolarHBondContact O-NH2 3.03Å; E656-D786 VanDerWaalsContact N-CG 3.33Å; E656-D786 PolarHBondContact N-OD1 2.84Å; E656-D786 VanDerWaalsContact N-OD1 3.11Å; E656-D786 PolarHBondContact N-OD2 3.28Å; E656-R788 IonicContact OE2-NH1 2.68Å
657	H	96.3	Very high	96.3	Very high	44 Å²	44	21.8 Å²	21.8	20%	0.204	10%	0.104	C	C	.	.	S	Bend	trans	-123.1	-47.6	-168.1	-58.4	-74.5	0	0	0	113.6	Y697 R698 D786 M824 Y829 I861	H657-Y697 VanDerWaalsContact O-CA 3.28Å; H657-Y697 WeakPolarHBondContact O-CA 3.26Å; H657-Y697 WeakPolarHBondContact O-CD2 3.48Å; H657-R698 PolarHBondContact O-N 2.94Å; H657-D786 WeakPolarHBondContact CA-OD1 3.5Å; H657-D786 PolarHBondContact N-OD1 2.97Å; H657-M824 HydrophobicContact CB-CG 3.81Å; H657-M824 HydrophobicContact CB-SD 3.7Å; H657-M824 VanDerWaalsContact CG-CG 3.47Å; H657-Y829 AromaticContact CD2-CE2 3.64Å; H657-Y829 AromaticContact CD2-CZ 3.83Å; H657-Y829 AromaticContact NE2-CE2 3.24Å; H657-Y829 WeakPolarHBondContact NE2-CE2 3.35Å; H657-Y829 AromaticContact NE2-CZ 3.91Å; H657-I861 HydrophobicContact CB-CD1 4.25Å; H657-I861 HydrophobicContact CB-CG2 4.4Å
658	Y	97.9	Very high	95.7	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	161.5	178	79.9	-77.6	0	0	0	113.2	R698 F700 A785 D786 D787 M824 R839 P860 I861	Y658-R698 WeakPolarHBondContact CA-O 3.42Å; Y658-R698 VanDerWaalsContact CB-O 3.31Å; Y658-R698 WeakPolarHBondContact CB-O 3.13Å; Y658-F700 HydrophobicContact CD2-CD2 4.24Å; Y658-F700 HydrophobicContact CD2-CE2 4.31Å; Y658-A785 WeakPolarHBondContact O-CA 2.26Å; Y658-D786 PolarHBondContact N-OD1 3.46Å; Y658-D786 PolarHBondContact O-N 2.9Å; Y658-D787 WeakPolarHBondContact OH-CA 3.44Å; Y658-D787 VanDerWaalsContact OH-CG 3.26Å; Y658-D787 PolarHBondContact OH-N 3.16Å; Y658-D787 PolarHBondContact OH-OD1 3Å; Y658-M824 HydrophobicContact CD1-CE 4.32Å; Y658-M824 HydrophobicContact CD1-SD 4.15Å; Y658-M824 HydrophobicContact CE1-CE 4.04Å; Y658-M824 HydrophobicContact CE1-SD 4.45Å; Y658-R839 HydrophobicContact CE2-CG 4.37Å; Y658-P860 HydrophobicContact CD1-CB 4.37Å; Y658-P860 HydrophobicContact CD1-CG 3.8Å; Y658-P860 HydrophobicContact CE1-CB 4.34Å; Y658-P860 HydrophobicContact CE1-CG 3.67Å; Y658-I861 HydrophobicContact CD1-CG2 4.12Å; Y658-I861 HydrophobicContact CG-CG2 4.21Å
659	I	98.4	Very high	94.8	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	138.3	161.5	59.4	-177.1	0	0	0	110.8	I652 I661 I683 Y697 R698 V699 F700 I784 A785	I652-I659 HydrophobicContact CG1-CD1 4.1Å; I652-I659 HydrophobicContact CG2-CD1 4.15Å; I659-I661 HydrophobicContact CD1-CD1 4.17Å; I659-I683 HydrophobicContact CD1-CG1 4.01Å; I659-Y697 WeakPolarHBondContact CG1-OH 3.39Å; I659-R698 PolarHBondContact N-O 3.02Å; I659-R698 VanDerWaalsContact N-O 3.09Å; I659-V699 HydrophobicContact CD1-CG1 4.09Å; I659-V699 HydrophobicContact CD1-CG2 4.17Å; I659-V699 HydrophobicContact CG1-CB 4.27Å; I659-V699 HydrophobicContact CG1-CG1 3.95Å; I659-V699 HydrophobicContact CG1-CG2 3.93Å; I659-F700 PolarHBondContact O-N 3.06Å; I659-I784 WeakPolarHBondContact CA-O 3.27Å; I659-A785 HydrophobicContact CG2-CB 4.04Å
660	Y	98.4	Very high	93.6	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	121.9	168.1	171.1	-95.5	0	0	0	108.4	E662 F700 V702 L783 I784 F843 L846 W870	Y660-E662 HydrophobicContact CE1-CB 3.85Å; Y660-E662 PolarHBondContact OH-OE2 2.92Å; Y660-F700 HydrophobicContact CD2-CB 3.75Å; Y660-F700 HydrophobicContact CD2-CG 4.49Å; Y660-V702 HydrophobicContact CE2-CG2 4.34Å; Y660-L783 CarbonylContact O-C 3.57Å; Y660-L783 WeakPolarHBondContact O-CA 2.26Å; Y660-I784 HydrophobicContact CD1-CD1 3.83Å; Y660-I784 HydrophobicContact CD1-CG1 4.12Å; Y660-I784 HydrophobicContact CE1-CD1 4.43Å; Y660-I784 PolarHBondContact N-O 2.83Å; Y660-I784 PolarHBondContact O-N 2.95Å; Y660-F843 AromaticContact CD2-CE1 3.65Å; Y660-F843 HydrophobicContact CD2-CE1 3.65Å; Y660-F843 HydrophobicContact CD2-CZ 4.42Å; Y660-F843 HydrophobicContact CE2-CE1 4.01Å; Y660-F843 HydrophobicContact CG-CE1 4.23Å; Y660-L846 HydrophobicContact CE2-CD1 4.23Å; Y660-L846 WeakPolarHBondContact OH-CD1 3.42Å; Y660-W870 HydrophobicContact CE2-CH2 4.04Å
661	I	98.4	Very high	92	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	131	-180	-63.4	179.8	0	0	0	108.1	I659 N663 F666 I683 F700 V702 L783 I797	I659-I661 HydrophobicContact CD1-CD1 4.17Å; I661-N663 HydrophobicContact CG2-CB 4.28Å; I661-F666 HydrophobicContact CD1-CE2 4.38Å; I661-I683 HydrophobicContact CD1-CD1 3.74Å; I661-F700 PolarHBondContact N-O 3.26Å; I661-V702 WeakPolarHBondContact O-CA 2.27Å; I661-V702 PolarHBondContact O-N 2.99Å; I661-L783 HydrophobicContact CD1-CD1 4.23Å; I661-L783 HydrophobicContact CG1-CD1 4.04Å; I661-L783 HydrophobicContact CG1-CG 4.22Å; I661-I797 HydrophobicContact CD1-CD1 4.44Å; I661-I797 HydrophobicContact CG2-CD1 3.58Å
662	E	97.8	Very high	89.9	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	110.2	170.8	-160.9	-175	134.9	0	0	109	R563 Y660 V702 V778 S780 A782	R563-E662 VanDerWaalsContact CD-OE1 3.32Å; R563-E662 WeakPolarHBondContact CD-OE1 3.23Å; R563-E662 WeakPolarHBondContact CG-OE1 3.38Å; R563-E662 IonicContact CZ-OE1 3.16Å; R563-E662 IonicContact CZ-OE2 2.75Å; R563-E662 VanDerWaalsContact NE-CD 3.25Å; R563-E662 IonicContact NE-OE1 2.83Å; R563-E662 PolarHBondContact NE-OE1 2.73Å; R563-E662 IonicContact NE-OE2 3.42Å; R563-E662 PolarHBondContact NE-OE2 3.35Å; R563-E662 VanDerWaalsContact NE-OE2 3.15Å; R563-E662 IonicContact NH2-OE1 3.14Å; R563-E662 IonicContact NH2-OE2 3.96Å; R563-E662 PolarHBondContact NH2-OE2 3.32Å; Y660-E662 HydrophobicContact CE1-CB 3.85Å; Y660-E662 PolarHBondContact OH-OE2 2.92Å; E662-V702 WeakPolarHBondContact CA-O 3.4Å; E662-V702 HydrophobicContact CG-CB 4.25Å; E662-V778 HydrophobicContact CG-CG1 3.63Å; E662-S780 CarbonylContact O-C 3.39Å; E662-S780 VanDerWaalsContact OE1-CB 3.26Å; E662-S780 WeakPolarHBondContact OE1-CB 3.35Å; E662-S780 PolarHBondContact OE1-OG 3.2Å; E662-A782 PolarHBondContact N-O 2.94Å; E662-A782 PolarHBondContact O-N 3.15Å
663	N	97.4	Very high	88.3	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	146.1	-170.6	-145.2	-79.8	0	0	0	113.7	I661 F665 V702 P704 S780 N796 I797	I661-N663 HydrophobicContact CG2-CB 4.28Å; N663-F665 VanDerWaalsContact C-N 3.34Å; N663-F665 WeakPolarHBondContact CB-O 3.36Å; N663-F665 PolarHBondContact OD1-N 2.96Å; N663-F665 PolarHBondContact OD1-O 2.97Å; N663-V702 PolarHBondContact N-O 2.82Å; N663-P704 VanDerWaalsContact O-CD 3.27Å; N663-P704 WeakPolarHBondContact O-CD 3.4Å; N663-S780 CarbonylContact C-O 3.56Å; N663-S780 WeakPolarHBondContact CA-O 3.38Å; N663-N796 VanDerWaalsContact OD1-CA 3.24Å; N663-N796 WeakPolarHBondContact OD1-CA 3.08Å; N663-I797 HydrophobicContact CB-CD1 4.2Å; N663-I797 HydrophobicContact CB-CG1 4.49Å; N663-I797 PolarHBondContact OD1-N 3.43Å
664	Q	93.9	Very high	87.2	Confident	24 Å²	24	36.5 Å²	36.5	11%	0.112	19%	0.186	C	C	.	.	S	Bend	trans	-66	-34.2	173.8	-171.8	-171.5	11.2	0	0	112.9	P704 Y777 V778 H779 S780 N796	Q664-P704 WeakPolarHBondContact O-CD 3.33Å; Q664-P704 WeakPolarHBondContact O-CG 3.27Å; Q664-Y777 HydrophobicContact CG-CE1 4.4Å; Q664-Y777 WeakPolarHBondContact CG-OH 3.25Å; Q664-Y777 PolarHBondContact NE2-OH 3.49Å; Q664-V778 WeakPolarHBondContact CA-O 3.23Å; Q664-H779 VanDerWaalsContact CD-CD2 3.41Å; Q664-H779 PolarHBondContact NE2-CD2 3.46Å; Q664-H779 PolarHBondContact OE1-CD2 2.81Å; Q664-H779 PolarHBondContact OE1-NE2 3.27Å; Q664-S780 PolarHBondContact N-O 2.98Å; Q664-S780 VanDerWaalsContact N-O 3.15Å; Q664-N796 WeakPolarHBondContact CB-OD1 3.42Å; Q664-N796 PolarHBondContact OE1-OD1 2.87Å
665	F	90.8	Very high	86.5	Confident	26 Å²	26	33.9 Å²	33.9	11%	0.114	17%	0.173	C	C	.	.			trans	-134.2	153.8	178.8	-56.9	-61.2	0	0	0	110.6	N663 I724 N796 I797	N663-F665 VanDerWaalsContact C-N 3.34Å; N663-F665 WeakPolarHBondContact CB-O 3.36Å; N663-F665 PolarHBondContact OD1-N 2.96Å; N663-F665 PolarHBondContact OD1-O 2.97Å; F665-I724 HydrophobicContact CD1-CG2 3.79Å; F665-I724 HydrophobicContact CE1-CD1 4.37Å; F665-I724 HydrophobicContact CE1-CG2 3.72Å; F665-N796 HydrophobicContact CB-CB 4.35Å; F665-N796 HydrophobicContact CD2-CB 3.88Å; F665-I797 CarbonylContact C-O 3.56Å; F665-I797 WeakPolarHBondContact O-CB 3.32Å
666	F	91	Very high	86	Confident	1 Å²	1	38.4 Å²	38.4	0%	0.004	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-141.7	73.7	178.3	-163.7	-104.9	0	0	0	109.3	I661 I683 V701 I703 T733 M734 I741 F758 I797	I661-F666 HydrophobicContact CD1-CE2 4.38Å; F666-I683 HydrophobicContact CE2-CD1 4.2Å; F666-I683 HydrophobicContact CZ-CD1 3.95Å; F666-V701 HydrophobicContact CD2-CG1 4.23Å; F666-V701 HydrophobicContact CE2-CG1 4.24Å; F666-V701 HydrophobicContact CG-CG1 4.41Å; F666-V701 HydrophobicContact CZ-CG1 4.43Å; F666-V701 HydrophobicContact CZ-CG2 4.39Å; F666-I703 HydrophobicContact CB-CG2 4.02Å; F666-T733 HydrophobicContact CD1-CG2 3.69Å; F666-T733 HydrophobicContact CE1-CG2 3.82Å; F666-T733 WeakPolarHBondContact O-CG2 3.49Å; F666-M734 HydrophobicContact CD1-CG 3.91Å; F666-M734 HydrophobicContact CD1-SD 4.29Å; F666-M734 HydrophobicContact CE1-CG 4.25Å; F666-I741 HydrophobicContact CE1-CD1 3.68Å; F666-I741 HydrophobicContact CZ-CD1 4.04Å; F666-F758 HydrophobicContact CD1-CE1 4.33Å; F666-F758 AromaticContact CE1-CE1 3.86Å; F666-F758 HydrophobicContact CE1-CE1 3.86Å; F666-F758 HydrophobicContact CE1-CZ 4.48Å; F666-F758 HydrophobicContact CZ-CE1 4.49Å; F666-I797 HydrophobicContact CD2-CB 4.29Å; F666-I797 HydrophobicContact CD2-CD1 3.9Å; F666-I797 HydrophobicContact CD2-CG2 4.02Å; F666-I797 HydrophobicContact CE2-CD1 4.04Å; F666-I797 HydrophobicContact CE2-CG2 4.39Å
667	I	88.3	Confident	85.7	Confident	2 Å²	2	33.3 Å²	33.3	1%	0.01	17%	0.17	C	C	.	.			trans	-117.5	108.5	-177.2	-58.8	169.5	0	0	0	107.4	V675 N677 F727 I797 N798	I667-V675 HydrophobicContact CG2-CG2 4.22Å; I667-N677 PolarHBondContact O-ND2 2.88Å; I667-F727 HydrophobicContact CD1-CB 3.74Å; I667-F727 HydrophobicContact CG1-CB 3.96Å; I667-F727 HydrophobicContact CG2-CB 3.99Å; I667-I797 PolarHBondContact N-O 2.99Å; I667-N798 HydrophobicContact CB-CB 4.1Å; I667-N798 HydrophobicContact CD1-CB 4.4Å; I667-N798 WeakPolarHBondContact O-CA 3.46Å
668	S	85.3	Confident	85.5	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.007	19%	0.186	C	C	.	.			trans	-163.2	-171.7	-171.5	-157.6	0	0	0	0	111.7	N677 I679 G680 T733	S668-N677 WeakPolarHBondContact CB-OD1 3.3Å; S668-N677 PolarHBondContact OG-O 3.31Å; S668-N677 PolarHBondContact OG-OD1 2.9Å; S668-I679 PolarHBondContact OG-N 3.12Å; S668-G680 PolarHBondContact OG-N 3.29Å; S668-T733 PolarHBondContact N-OG1 3.43Å; S668-T733 WeakPolarHBondContact O-CB 3.26Å; S668-T733 PolarHBondContact O-OG1 3.16Å
669	C	77.9	Confident	85.3	Confident	6 Å²	6	37.1 Å²	37.1	4%	0.041	19%	0.186	C	C	.	.			trans	72.1	114.1	-165.8	-57	0	0	0	0	111.2	E671 R732	C669-E671 PolarHBondContact O-N 3.09Å; C669-R732 WeakPolarHBondContact CB-O 3.36Å
670	A	72.9	Confident	84.9	Confident	39 Å²	39	37.1 Å²	37.1	32%	0.322	19%	0.186	S	C	.	.			trans	-84.3	113.9	-170.8	0	0	0	0	0	112.5	V675 K678 D681	A670-V675 WeakPolarHBondContact CA-O 3.26Å; A670-K678 HydrophobicContact CB-CG 4.22Å; A670-D681 PolarHBondContact N-OD2 3.16Å; A670-D681 VanDerWaalsContact N-OD2 3.15Å
671	E	64.1	Low	84.5	Confident	61 Å²	61	38.2 Å²	38.2	29%	0.285	19%	0.191	S	C	.	.	B	Isolated β-bridge	trans	-132.1	133.9	176.2	-176.9	165.5	166.7	0	0	112.3	C669 K673 V674 V675 R732 H739	C669-E671 PolarHBondContact O-N 3.09Å; E671-K673 PolarHBondContact O-N 2.85Å; E671-V674 PolarHBondContact O-N 2.91Å; E671-V674 VanDerWaalsContact O-N 3.12Å; E671-V675 PolarHBondContact N-O 2.95Å; E671-R732 VanDerWaalsContact CD-NH1 3.3Å; E671-R732 IonicContact OE1-CZ 3.76Å; E671-R732 IonicContact OE1-NE 2.85Å; E671-R732 IonicContact OE1-NH1 2.89Å; E671-R732 PolarHBondContact OE1-NH1 3.49Å; E671-R732 WeakPolarHBondContact OE2-CD 3.36Å; E671-R732 IonicContact OE2-CZ 3.59Å; E671-R732 IonicContact OE2-NE 3.9Å; E671-R732 PolarHBondContact OE2-NE 2.72Å; E671-R732 IonicContact OE2-NH1 3.67Å; E671-R732 PolarHBondContact OE2-NH1 3.29Å; E671-H739 VanDerWaalsContact CD-CD2 3.42Å; E671-H739 IonicContact OE2-CD2 2.76Å; E671-H739 PolarHBondContact OE2-CD2 2.74Å; E671-H739 IonicContact OE2-CG 3.42Å; E671-H739 IonicContact OE2-NE2 2.62Å
672	D	53.6	Low	84.3	Confident	138 Å²	138	38.6 Å²	38.6	74%	0.738	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	23.7	52	168.3	-86.2	-8.8	0	0	0	117.7
673	K	63.7	Low	84.1	Confident	180 Å²	180	38.6 Å²	38.6	78%	0.783	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.1	-3	168.7	-47.7	145	-171.9	160.4	0	116.5	E671	E671-K673 PolarHBondContact O-N 2.85Å
674	V	75.3	Confident	83.8	Confident	64 Å²	64	38.6 Å²	38.6	39%	0.388	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-40.2	-176.8	-178.4	0	0	0	0	112.8	E671 F727 T953 T957	E671-V674 PolarHBondContact O-N 2.91Å; E671-V674 VanDerWaalsContact O-N 3.12Å; V674-F727 HydrophobicContact CG1-CE1 4.41Å; V674-T953 HydrophobicContact CG1-CG2 3.82Å; V674-T957 HydrophobicContact CG1-CG2 4.44Å; V674-T957 PolarHBondContact O-OG1 2.81Å
675	V	82	Confident	83.8	Confident	19 Å²	19	41.8 Å²	41.8	12%	0.115	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-126.7	138.3	172.3	180	0	0	0	0	107.7	I667 A670 E671 D799 T957	I667-V675 HydrophobicContact CG2-CG2 4.22Å; A670-V675 WeakPolarHBondContact CA-O 3.26Å; E671-V675 PolarHBondContact N-O 2.95Å; V675-D799 WeakPolarHBondContact CA-OD2 3.29Å; V675-T957 HydrophobicContact CG2-CG2 4.21Å
676	Q	86.8	Confident	84	Confident	95 Å²	95	41 Å²	41	44%	0.444	21%	0.209	S	C	.	.			trans	-127.7	-21	-168.3	-57.3	178.9	29.7	0	0	113.4	D799 L803	Q676-D799 WeakPolarHBondContact CB-OD2 3.32Å; Q676-D799 PolarHBondContact N-OD1 3.39Å; Q676-D799 VanDerWaalsContact N-OD1 3.17Å; Q676-D799 PolarHBondContact N-OD2 3.25Å; Q676-L803 HydrophobicContact CB-CD1 4.14Å; Q676-L803 HydrophobicContact CB-CD2 3.9Å
677	N	90.3	Very high	84.2	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.209	C	C	.	.			trans	-73.7	137.6	177.5	85.1	86.2	0	0	0	112.1	L645 I667 S668 D799 M802 L803	L645-N677 HydrophobicContact CD1-CB 4.14Å; L645-N677 HydrophobicContact CD2-CB 4.43Å; I667-N677 PolarHBondContact O-ND2 2.88Å; S668-N677 WeakPolarHBondContact CB-OD1 3.3Å; S668-N677 PolarHBondContact OG-O 3.31Å; S668-N677 PolarHBondContact OG-OD1 2.9Å; N677-D799 VanDerWaalsContact CB-OD1 3.25Å; N677-D799 WeakPolarHBondContact CB-OD1 3.31Å; N677-D799 PolarHBondContact N-OD1 3.38Å; N677-D799 PolarHBondContact ND2-OD1 2.92Å; N677-M802 HydrophobicContact CB-CB 4.06Å; N677-L803 HydrophobicContact CB-CD2 4.46Å
678	K	91.1	Very high	84.3	Confident	124 Å²	124	41.2 Å²	41.2	54%	0.539	21%	0.21	S	C	.	.			trans	-102.6	23.8	-169.5	-62.2	-167.5	171.7	-166.8	0	115.1	I649 A670 D681 A682	I649-K678 HydrophobicContact CD1-CB 4.01Å; A670-K678 HydrophobicContact CB-CG 4.22Å; K678-D681 WeakPolarHBondContact CA-OD2 3.35Å; K678-D681 HydrophobicContact CB-CB 4.19Å; K678-D681 PolarHBondContact O-N 3.5Å; K678-A682 PolarHBondContact O-N 3.05Å
679	I	93.4	Very high	84.7	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-68.8	-46.7	-176	-66.3	177.2	0	0	0	110.6	L645 Y648 I649 I652 S668 D681 A682 I683 I797 M802	L645-I679 HydrophobicContact CD1-CD1 3.87Å; L645-I679 HydrophobicContact CD1-CG1 3.68Å; Y648-I679 HydrophobicContact CD1-CD1 4.11Å; Y648-I679 HydrophobicContact CG-CD1 4.19Å; I649-I679 HydrophobicContact CG1-CG1 4.4Å; I652-I679 HydrophobicContact CD1-CG2 3.83Å; S668-I679 PolarHBondContact OG-N 3.12Å; I679-D681 VanDerWaalsContact C-N 3.3Å; I679-D681 PolarHBondContact O-N 3.37Å; I679-A682 PolarHBondContact O-N 3.33Å; I679-I683 HydrophobicContact CG2-CD1 4.17Å; I679-I683 VanDerWaalsContact O-CG1 3.3Å; I679-I683 WeakPolarHBondContact O-CG1 3.47Å; I679-I683 PolarHBondContact O-N 3Å; I679-I797 HydrophobicContact CB-CG2 4.22Å; I679-I797 HydrophobicContact CD1-CG1 4.23Å; I679-I797 HydrophobicContact CD1-CG2 4.22Å; I679-I797 HydrophobicContact CG2-CD1 4.3Å; I679-I797 HydrophobicContact CG2-CG1 4.48Å; I679-I797 HydrophobicContact CG2-CG2 4.02Å; I679-M802 HydrophobicContact CD1-CE 3.66Å; I679-M802 HydrophobicContact CD1-CG 3.92Å; I679-M802 HydrophobicContact CD1-SD 3.75Å
680	G	90.3	Very high	85.5	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-63.3	-34.6	173.7	0	0	0	0	0	112.9	S668 I683 V684	S668-G680 PolarHBondContact OG-N 3.29Å; G680-I683 PolarHBondContact O-N 3.49Å; G680-V684 WeakPolarHBondContact O-CG2 3.3Å; G680-V684 PolarHBondContact O-N 3.02Å
681	D	89.8	Confident	86.4	Confident	22 Å²	22	45.2 Å²	45.2	12%	0.118	22%	0.218	C	C	.	.	H	α-helix	trans	-62.5	-49.5	174.7	-57.2	-48.5	0	0	0	111.2	A670 K678 I679 I683 V684 D685 R744	A670-D681 PolarHBondContact N-OD2 3.16Å; A670-D681 VanDerWaalsContact N-OD2 3.15Å; K678-D681 WeakPolarHBondContact CA-OD2 3.35Å; K678-D681 HydrophobicContact CB-CB 4.19Å; K678-D681 PolarHBondContact O-N 3.5Å; I679-D681 VanDerWaalsContact C-N 3.3Å; I679-D681 PolarHBondContact O-N 3.37Å; D681-I683 VanDerWaalsContact C-N 3.29Å; D681-I683 PolarHBondContact O-N 3.33Å; D681-V684 PolarHBondContact O-N 3.29Å; D681-D685 WeakPolarHBondContact O-CB 3.17Å; D681-D685 VanDerWaalsContact O-CG 3.26Å; D681-D685 PolarHBondContact O-N 3.13Å; D681-R744 IonicContact OD1-CZ 3.71Å; D681-R744 IonicContact OD1-NH1 3.91Å; D681-R744 PolarHBondContact OD1-NH1 2.81Å; D681-R744 IonicContact OD1-NH2 3.59Å
682	A	94.6	Very high	87.7	Confident	9 Å²	9	50.2 Å²	50.2	7%	0.074	23%	0.234	C	C	.	.	H	α-helix	trans	-61.5	-35.7	176.8	0	0	0	0	0	112.5	I649 I652 E653 K678 I679 R686	I649-A682 HydrophobicContact CG2-CB 4.35Å; I652-A682 HydrophobicContact CB-CB 4.35Å; I652-A682 HydrophobicContact CG2-CB 3.94Å; E653-A682 HydrophobicContact CG-CB 4.46Å; K678-A682 PolarHBondContact O-N 3.05Å; I679-A682 PolarHBondContact O-N 3.33Å; A682-R686 WeakPolarHBondContact O-CB 3.34Å; A682-R686 PolarHBondContact O-N 2.77Å
683	I	94.2	Very high	89.6	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-64.7	-48.3	175.3	-68.2	167.8	0	0	0	110.8	I652 I659 I661 F666 I679 G680 D681 R686 I687 V699 I756	I652-I683 HydrophobicContact CD1-CD1 4.37Å; I652-I683 HydrophobicContact CD1-CG1 3.98Å; I652-I683 HydrophobicContact CG2-CG1 3.96Å; I659-I683 HydrophobicContact CD1-CG1 4.01Å; I661-I683 HydrophobicContact CD1-CD1 3.74Å; F666-I683 HydrophobicContact CE2-CD1 4.2Å; F666-I683 HydrophobicContact CZ-CD1 3.95Å; I679-I683 HydrophobicContact CG2-CD1 4.17Å; I679-I683 VanDerWaalsContact O-CG1 3.3Å; I679-I683 WeakPolarHBondContact O-CG1 3.47Å; I679-I683 PolarHBondContact O-N 3Å; G680-I683 PolarHBondContact O-N 3.49Å; D681-I683 VanDerWaalsContact C-N 3.29Å; D681-I683 PolarHBondContact O-N 3.33Å; I683-R686 PolarHBondContact O-N 2.81Å; I683-I687 HydrophobicContact CG2-CD1 3.91Å; I683-I687 WeakPolarHBondContact O-CG1 3.47Å; I683-I687 PolarHBondContact O-N 2.89Å; I683-V699 HydrophobicContact CG2-CG1 4.14Å; I683-V699 HydrophobicContact CG2-CG2 4.42Å; I683-I756 HydrophobicContact CG2-CD1 4.31Å
684	V	91.3	Very high	90.9	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-60.3	-51.5	177.5	172.1	0	0	0	0	110.6	G680 D681 R686 I687 L688 I741 R744 L745	G680-V684 WeakPolarHBondContact O-CG2 3.3Å; G680-V684 PolarHBondContact O-N 3.02Å; D681-V684 PolarHBondContact O-N 3.29Å; V684-R686 PolarHBondContact O-N 2.9Å; V684-I687 PolarHBondContact O-N 2.78Å; V684-I687 VanDerWaalsContact O-N 3.11Å; V684-L688 HydrophobicContact CG1-CD1 3.67Å; V684-L688 HydrophobicContact CG1-CG 4.1Å; V684-L688 WeakPolarHBondContact O-CG 3.34Å; V684-L688 PolarHBondContact O-N 2.78Å; V684-I741 HydrophobicContact CG2-CB 4Å; V684-I741 HydrophobicContact CG2-CG1 3.82Å; V684-I741 HydrophobicContact CG2-CG2 3.94Å; V684-R744 HydrophobicContact CG1-CB 3.77Å; V684-R744 HydrophobicContact CG2-CB 4.48Å; V684-L745 HydrophobicContact CG1-CD2 4.43Å
685	D	92.9	Very high	91.7	Very high	90 Å²	90	48.8 Å²	48.8	48%	0.481	22%	0.22	S	C	.	.	H	α-helix	trans	-66.6	-30.5	-174.3	-63.1	-7.5	0	0	0	110.9	D681 R689 R744	D681-D685 WeakPolarHBondContact O-CB 3.17Å; D681-D685 VanDerWaalsContact O-CG 3.26Å; D681-D685 PolarHBondContact O-N 3.13Å; D685-R689 WeakPolarHBondContact O-CB 3.48Å; D685-R689 PolarHBondContact O-N 2.98Å; D685-R744 IonicContact OD1-NH2 3.15Å; D685-R744 PolarHBondContact OD1-NH2 3.18Å; D685-R744 IonicContact OD2-NH2 2.74Å
686	R	95.6	Very high	92.2	Very high	9 Å²	9	51.2 Å²	51.2	3%	0.034	24%	0.235	C	C	.	.	H	α-helix	trans	-69.9	-38.7	171.9	179.3	60.5	-170.9	89.8	-6.4	113.7	I652 S655 E656 A682 I683 V684 R689 A690 Y697	I652-R686 HydrophobicContact CG2-CB 4.25Å; I652-R686 WeakPolarHBondContact O-CD 3.48Å; I652-R686 WeakPolarHBondContact O-CG 3.43Å; S655-R686 VanDerWaalsContact O-CZ 3.25Å; S655-R686 PolarHBondContact O-NE 3.14Å; S655-R686 PolarHBondContact O-NH2 2.99Å; S655-R686 PolarHBondContact OG-NE 2.83Å; E656-R686 PolarHBondContact O-NH2 3.03Å; A682-R686 WeakPolarHBondContact O-CB 3.34Å; A682-R686 PolarHBondContact O-N 2.77Å; I683-R686 PolarHBondContact O-N 2.81Å; V684-R686 PolarHBondContact O-N 2.9Å; R686-R689 VanDerWaalsContact CD-NH2 3.35Å; R686-R689 VanDerWaalsContact NE-NH2 3.19Å; R686-A690 PolarHBondContact O-N 2.8Å; R686-A690 VanDerWaalsContact O-N 3.09Å; R686-Y697 HydrophobicContact CG-CE1 3.76Å; R686-Y697 HydrophobicContact CG-CE2 4.18Å; R686-Y697 WeakPolarHBondContact CG-OH 3.45Å; R686-Y697 VanDerWaalsContact CZ-CD2 3.44Å; R686-Y697 VanDerWaalsContact CZ-CE2 3.47Å; R686-Y697 VanDerWaalsContact NH2-CD2 3.26Å
687	I	93.9	Very high	92.6	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-68.5	-46.4	173.7	-68	165	0	0	0	110	I683 V684 R689 A690 H691 Y697 V699 L745 Y755 I756	I683-I687 HydrophobicContact CG2-CD1 3.91Å; I683-I687 WeakPolarHBondContact O-CG1 3.47Å; I683-I687 PolarHBondContact O-N 2.89Å; V684-I687 PolarHBondContact O-N 2.78Å; V684-I687 VanDerWaalsContact O-N 3.11Å; I687-R689 PolarHBondContact O-N 3.06Å; I687-A690 WeakPolarHBondContact O-CB 3.41Å; I687-A690 PolarHBondContact O-N 2.85Å; I687-H691 PolarHBondContact O-N 2.9Å; I687-Y697 HydrophobicContact CG1-CD1 4.17Å; I687-Y697 HydrophobicContact CG1-CE1 4.06Å; I687-V699 HydrophobicContact CD1-CG2 3.87Å; I687-V699 HydrophobicContact CG1-CG2 3.91Å; I687-L745 HydrophobicContact CB-CD2 3.97Å; I687-L745 HydrophobicContact CD1-CD1 3.99Å; I687-L745 HydrophobicContact CG2-CD1 4.39Å; I687-L745 HydrophobicContact CG2-CD2 3.49Å; I687-L745 VanDerWaalsContact CG2-CD2 3.49Å; I687-Y755 HydrophobicContact CG2-CD1 3.93Å; I687-Y755 HydrophobicContact CG2-CD2 4.44Å; I687-Y755 HydrophobicContact CG2-CG 3.74Å; I687-I756 HydrophobicContact CD1-CB 4.17Å; I687-I756 HydrophobicContact CD1-CD1 4.4Å
688	L	92.1	Very high	92.9	Very high	8 Å²	8	47.2 Å²	47.2	4%	0.042	22%	0.215	C	C	.	.	H	α-helix	trans	-60.1	-36.1	176.2	-68.1	176.5	0	0	0	111.4	V684 R692 L745 E747 V748	V684-L688 HydrophobicContact CG1-CD1 3.67Å; V684-L688 HydrophobicContact CG1-CG 4.1Å; V684-L688 WeakPolarHBondContact O-CG 3.34Å; V684-L688 PolarHBondContact O-N 2.78Å; L688-R692 WeakPolarHBondContact O-CB 3.47Å; L688-R692 WeakPolarHBondContact O-CD 3.05Å; L688-R692 WeakPolarHBondContact O-CG 3.4Å; L688-R692 PolarHBondContact O-N 3.13Å; L688-L745 HydrophobicContact CD2-CD2 3.98Å; L688-L745 HydrophobicContact CG-CD2 4.17Å; L688-E747 HydrophobicContact CD2-CB 4.06Å; L688-V748 HydrophobicContact CD2-CG2 3.56Å
689	R	93.7	Very high	93.2	Very high	91 Å²	91	41.3 Å²	41.3	34%	0.343	19%	0.19	S	C	.	.	H	α-helix	trans	-61.2	-48.1	169.9	-173.1	174.2	83.9	-146.8	5.9	112	E653 S655 D685 R686 I687 H691 R692 E693	E653-R689 VanDerWaalsContact O-CZ 3.3Å; E653-R689 PolarHBondContact O-NH1 2.81Å; E653-R689 PolarHBondContact O-NH2 3.01Å; S655-R689 PolarHBondContact O-NH2 2.81Å; D685-R689 WeakPolarHBondContact O-CB 3.48Å; D685-R689 PolarHBondContact O-N 2.98Å; R686-R689 VanDerWaalsContact CD-NH2 3.35Å; R686-R689 VanDerWaalsContact NE-NH2 3.19Å; I687-R689 PolarHBondContact O-N 3.06Å; R689-H691 VanDerWaalsContact C-N 3.35Å; R689-H691 PolarHBondContact O-N 2.95Å; R689-R692 PolarHBondContact O-N 3.26Å; R689-E693 WeakPolarHBondContact CD-OE1 3.3Å; R689-E693 HydrophobicContact CG-CG 4.38Å; R689-E693 WeakPolarHBondContact CG-OE1 3.23Å; R689-E693 IonicContact NE-OE1 3.72Å; R689-E693 WeakPolarHBondContact O-CB 3.37Å; R689-E693 WeakPolarHBondContact O-CG 3.48Å; R689-E693 PolarHBondContact O-N 2.86Å
690	A	93.3	Very high	93.4	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-57.7	-46.8	177.9	0	0	0	0	0	112.3	R686 I687 E693 Q694 K695 Y697	R686-A690 PolarHBondContact O-N 2.8Å; R686-A690 VanDerWaalsContact O-N 3.09Å; I687-A690 WeakPolarHBondContact O-CB 3.41Å; I687-A690 PolarHBondContact O-N 2.85Å; A690-E693 CarbonylContact O-C 3.59Å; A690-E693 PolarHBondContact O-N 2.98Å; A690-Q694 PolarHBondContact O-N 2.62Å; A690-K695 PolarHBondContact O-N 3.07Å; A690-Y697 VanDerWaalsContact CB-CB 3.41Å; A690-Y697 HydrophobicContact CB-CD1 4.24Å; A690-Y697 HydrophobicContact CB-CG 4Å
691	H	91.8	Very high	93.7	Very high	40 Å²	40	41.4 Å²	41.4	19%	0.185	19%	0.19	C	C	.	.	H	α-helix	trans	-63.8	-44.5	178.5	-176.6	71.3	0	0	0	112	I687 R689 E693 Q694 V748 Y755	I687-H691 PolarHBondContact O-N 2.9Å; R689-H691 VanDerWaalsContact C-N 3.35Å; R689-H691 PolarHBondContact O-N 2.95Å; H691-E693 VanDerWaalsContact C-N 3.29Å; H691-E693 PolarHBondContact O-N 3.43Å; H691-Q694 PolarHBondContact O-N 2.97Å; H691-Q694 VanDerWaalsContact O-N 3.1Å; H691-Q694 PolarHBondContact O-NE2 2.86Å; H691-V748 HydrophobicContact CB-CG1 4.5Å; H691-V748 HydrophobicContact CB-CG2 4.46Å; H691-Y755 HydrophobicContact CB-CE1 4.29Å; H691-Y755 AromaticContact ND1-CZ 3.79Å; H691-Y755 PolarHBondContact ND1-OH 3.35Å; H691-Y755 VanDerWaalsContact ND1-OH 3.08Å
692	R	91.9	Very high	94.1	Very high	166 Å²	166	40.3 Å²	40.3	63%	0.626	18%	0.184	S	C	*	.	H	α-helix	trans	-65.4	-30.3	176.3	-69.3	165.3	-170.1	168.7	3.3	112.8	L688 R689 E747	L688-R692 WeakPolarHBondContact O-CB 3.47Å; L688-R692 WeakPolarHBondContact O-CD 3.05Å; L688-R692 WeakPolarHBondContact O-CG 3.4Å; L688-R692 PolarHBondContact O-N 3.13Å; R689-R692 PolarHBondContact O-N 3.26Å; R692-E747 IonicContact CZ-OE2 2.78Å; R692-E747 IonicContact NH2-OE1 3.4Å; R692-E747 IonicContact NH2-OE2 3.04Å; R692-E747 PolarHBondContact NH2-OE2 2.79Å
693	E	93.7	Very high	94.1	Very high	86 Å²	86	40.1 Å²	40.1	40%	0.402	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-3	173.9	-69	177.7	-155	0	0	113.8	R689 A690 H691 K695	R689-E693 WeakPolarHBondContact CD-OE1 3.3Å; R689-E693 HydrophobicContact CG-CG 4.38Å; R689-E693 WeakPolarHBondContact CG-OE1 3.23Å; R689-E693 IonicContact NE-OE1 3.72Å; R689-E693 WeakPolarHBondContact O-CB 3.37Å; R689-E693 WeakPolarHBondContact O-CG 3.48Å; R689-E693 PolarHBondContact O-N 2.86Å; A690-E693 CarbonylContact O-C 3.59Å; A690-E693 PolarHBondContact O-N 2.98Å; H691-E693 VanDerWaalsContact C-N 3.29Å; H691-E693 PolarHBondContact O-N 3.43Å; E693-K695 VanDerWaalsContact C-N 3.27Å; E693-K695 HydrophobicContact CB-CD 4.08Å; E693-K695 HydrophobicContact CB-CG 4.09Å; E693-K695 PolarHBondContact O-N 2.8Å; E693-K695 WeakPolarHBondContact OE2-CD 3.25Å; E693-K695 VanDerWaalsContact OE2-CE 3.24Å; E693-K695 WeakPolarHBondContact OE2-CE 3.36Å; E693-K695 IonicContact OE2-NZ 3.06Å; E693-K695 PolarHBondContact OE2-NZ 3.36Å
694	Q	90.7	Very high	94.1	Very high	153 Å²	153	40.6 Å²	40.6	72%	0.715	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.6	41.4	-173.8	-63	-73.7	-77.9	0	0	113.3	A690 H691	A690-Q694 PolarHBondContact O-N 2.62Å; H691-Q694 PolarHBondContact O-N 2.97Å; H691-Q694 VanDerWaalsContact O-N 3.1Å; H691-Q694 PolarHBondContact O-NE2 2.86Å
695	K	91.6	Very high	94.1	Very high	113 Å²	113	41 Å²	41	49%	0.491	19%	0.187	S	C	.	.			trans	-106.3	137	177.9	-69.9	177.3	-177.8	167.2	0	111.7	A690 E693 Y697	A690-K695 PolarHBondContact O-N 3.07Å; E693-K695 VanDerWaalsContact C-N 3.27Å; E693-K695 HydrophobicContact CB-CD 4.08Å; E693-K695 HydrophobicContact CB-CG 4.09Å; E693-K695 PolarHBondContact O-N 2.8Å; E693-K695 WeakPolarHBondContact OE2-CD 3.25Å; E693-K695 VanDerWaalsContact OE2-CE 3.24Å; E693-K695 WeakPolarHBondContact OE2-CE 3.36Å; E693-K695 IonicContact OE2-NZ 3.06Å; E693-K695 PolarHBondContact OE2-NZ 3.36Å; K695-Y697 PolarHBondContact O-N 2.96Å
696	T	93.1	Very high	93.9	Very high	70 Å²	70	37 Å²	37	43%	0.429	17%	0.166	S	C	.	.			trans	-58.5	121.1	167.7	-47.7	0	0	0	0	110	I861	T696-I861 HydrophobicContact CG2-CB 4.37Å; T696-I861 HydrophobicContact CG2-CD1 4.23Å
697	Y	95.8	Very high	93.4	Very high	1 Å²	1	37.1 Å²	37.1	0%	0.004	17%	0.168	C	C	.	.			trans	-147.7	131.6	177.4	179.9	-99.7	0	0	0	110.3	S655 H657 I659 R686 I687 A690 K695 V699	S655-Y697 WeakPolarHBondContact OG-CE2 3.49Å; S655-Y697 PolarHBondContact OG-OH 3.41Å; S655-Y697 VanDerWaalsContact OG-OH 3.1Å; H657-Y697 VanDerWaalsContact O-CA 3.28Å; H657-Y697 WeakPolarHBondContact O-CA 3.26Å; H657-Y697 WeakPolarHBondContact O-CD2 3.48Å; I659-Y697 WeakPolarHBondContact CG1-OH 3.39Å; R686-Y697 HydrophobicContact CG-CE1 3.76Å; R686-Y697 HydrophobicContact CG-CE2 4.18Å; R686-Y697 WeakPolarHBondContact CG-OH 3.45Å; R686-Y697 VanDerWaalsContact CZ-CD2 3.44Å; R686-Y697 VanDerWaalsContact CZ-CE2 3.47Å; R686-Y697 VanDerWaalsContact NH2-CD2 3.26Å; I687-Y697 HydrophobicContact CG1-CD1 4.17Å; I687-Y697 HydrophobicContact CG1-CE1 4.06Å; A690-Y697 VanDerWaalsContact CB-CB 3.41Å; A690-Y697 HydrophobicContact CB-CD1 4.24Å; A690-Y697 HydrophobicContact CB-CG 4Å; K695-Y697 PolarHBondContact O-N 2.96Å; Y697-V699 HydrophobicContact CD1-CG2 4.17Å; Y697-V699 HydrophobicContact CE1-CG2 3.44Å; Y697-V699 VanDerWaalsContact CE1-CG2 3.44Å
698	R	96.8	Very high	92.7	Very high	10 Å²	10	37.9 Å²	37.9	4%	0.038	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	147.4	-176.5	-47.4	-60.3	-175.9	-180	0.8	112.8	H657 Y658 I659 F700 E754 Y755 I861 D863 F866	H657-R698 PolarHBondContact O-N 2.94Å; Y658-R698 WeakPolarHBondContact CA-O 3.42Å; Y658-R698 VanDerWaalsContact CB-O 3.31Å; Y658-R698 WeakPolarHBondContact CB-O 3.13Å; I659-R698 PolarHBondContact N-O 3.02Å; I659-R698 VanDerWaalsContact N-O 3.09Å; R698-F700 HydrophobicContact CB-CD2 4.43Å; R698-F700 HydrophobicContact CB-CE2 3.82Å; R698-F700 HydrophobicContact CB-CZ 4.23Å; R698-E754 WeakPolarHBondContact CD-O 3.44Å; R698-E754 PolarHBondContact NH1-O 2.89Å; R698-Y755 CarbonylContact C-O 3.47Å; R698-Y755 WeakPolarHBondContact CA-O 3.45Å; R698-I861 HydrophobicContact CB-CG2 4.42Å; R698-I861 HydrophobicContact CG-CB 3.94Å; R698-I861 HydrophobicContact CG-CG2 3.92Å; R698-I861 PolarHBondContact NE-O 3.42Å; R698-I861 PolarHBondContact NH2-O 3.28Å; R698-D863 IonicContact CZ-OD1 3.36Å; R698-D863 IonicContact NH1-OD1 3.46Å; R698-D863 IonicContact NH2-OD1 3.89Å; R698-D863 PolarHBondContact NH2-OD1 3.44Å; R698-F866 HydrophobicContact CB-CD2 4.18Å; R698-F866 HydrophobicContact CB-CE2 4.15Å; R698-F866 HydrophobicContact CG-CD2 3.96Å; R698-F866 HydrophobicContact CG-CE2 4.32Å; R698-F866 HydrophobicContact CG-CG 4.36Å
699	V	97.3	Very high	92	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	114	175.2	-179	0	0	0	0	108.8	I659 I683 I687 Y697 V701 Y755 I756 T757	I659-V699 HydrophobicContact CD1-CG1 4.09Å; I659-V699 HydrophobicContact CD1-CG2 4.17Å; I659-V699 HydrophobicContact CG1-CB 4.27Å; I659-V699 HydrophobicContact CG1-CG1 3.95Å; I659-V699 HydrophobicContact CG1-CG2 3.93Å; I683-V699 HydrophobicContact CG2-CG1 4.14Å; I683-V699 HydrophobicContact CG2-CG2 4.42Å; I687-V699 HydrophobicContact CD1-CG2 3.87Å; I687-V699 HydrophobicContact CG1-CG2 3.91Å; Y697-V699 HydrophobicContact CD1-CG2 4.17Å; Y697-V699 HydrophobicContact CE1-CG2 3.44Å; Y697-V699 VanDerWaalsContact CE1-CG2 3.44Å; V699-V701 HydrophobicContact CG1-CG2 3.99Å; V699-Y755 PolarHBondContact N-O 2.7Å; V699-I756 HydrophobicContact CB-CB 4.05Å; V699-I756 HydrophobicContact CB-CD1 4.16Å; V699-I756 HydrophobicContact CB-CG1 3.87Å; V699-I756 HydrophobicContact CG1-CD1 3.74Å; V699-I756 HydrophobicContact CG1-CG1 3.84Å; V699-I756 WeakPolarHBondContact O-CA 3.41Å; V699-T757 PolarHBondContact O-N 3.09Å
700	F	97.6	Very high	91.3	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	123	176.9	-59.4	-88.6	0	0	0	109.5	Y658 I659 Y660 I661 R698 T757 F843 P860 F865 F866 W870	Y658-F700 HydrophobicContact CD2-CD2 4.24Å; Y658-F700 HydrophobicContact CD2-CE2 4.31Å; I659-F700 PolarHBondContact O-N 3.06Å; Y660-F700 HydrophobicContact CD2-CB 3.75Å; Y660-F700 HydrophobicContact CD2-CG 4.49Å; I661-F700 PolarHBondContact N-O 3.26Å; R698-F700 HydrophobicContact CB-CD2 4.43Å; R698-F700 HydrophobicContact CB-CE2 3.82Å; R698-F700 HydrophobicContact CB-CZ 4.23Å; F700-T757 HydrophobicContact CD1-CG2 3.73Å; F700-T757 HydrophobicContact CE1-CG2 4.34Å; F700-T757 HydrophobicContact CG-CG2 4.47Å; F700-F843 HydrophobicContact CD2-CZ 4.29Å; F700-F843 HydrophobicContact CE2-CZ 4.17Å; F700-F843 HydrophobicContact CZ-CZ 4.34Å; F700-P860 WeakPolarHBondContact CE2-O 3.11Å; F700-P860 VanDerWaalsContact CZ-O 3.29Å; F700-P860 WeakPolarHBondContact CZ-O 3.14Å; F700-F865 HydrophobicContact CE1-CE1 4.13Å; F700-F865 HydrophobicContact CZ-CD1 4.31Å; F700-F865 AromaticContact CZ-CE1 3.97Å; F700-F865 HydrophobicContact CZ-CE1 3.97Å; F700-F866 HydrophobicContact CD1-CE2 4.42Å; F700-F866 AromaticContact CE1-CD2 3.63Å; F700-F866 HydrophobicContact CE1-CD2 3.63Å; F700-F866 AromaticContact CE1-CE2 3.92Å; F700-F866 HydrophobicContact CE1-CE2 3.92Å; F700-F866 AromaticContact CZ-CD2 3.71Å; F700-F866 HydrophobicContact CZ-CD2 3.71Å; F700-F866 HydrophobicContact CZ-CE2 4.21Å; F700-W870 HydrophobicContact CB-CZ2 4.44Å; F700-W870 AromaticContact CD1-CD2 3.74Å; F700-W870 HydrophobicContact CD1-CD2 3.74Å; F700-W870 AromaticContact CD1-CE2 3.62Å; F700-W870 HydrophobicContact CD1-CE3 4.11Å; F700-W870 HydrophobicContact CD1-CG 4.19Å; F700-W870 HydrophobicContact CD1-CH2 4.28Å; F700-W870 AromaticContact CD1-CZ2 3.91Å; F700-W870 HydrophobicContact CD1-CZ2 3.91Å; F700-W870 HydrophobicContact CD1-CZ3 4.36Å; F700-W870 AromaticContact CD1-NE1 3.96Å; F700-W870 HydrophobicContact CE1-CB 4.44Å; F700-W870 AromaticContact CE1-CD2 3.77Å; F700-W870 HydrophobicContact CE1-CD2 3.77Å; F700-W870 HydrophobicContact CE1-CE3 4.06Å; F700-W870 AromaticContact CE1-CG 3.93Å; F700-W870 HydrophobicContact CE1-CG 3.93Å
701	V	96.8	Very high	90.5	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.006	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	106.4	179.6	-175.4	0	0	0	0	111.5	F666 V699 I703 I756 T757 F758 C759	F666-V701 HydrophobicContact CD2-CG1 4.23Å; F666-V701 HydrophobicContact CE2-CG1 4.24Å; F666-V701 HydrophobicContact CG-CG1 4.41Å; F666-V701 HydrophobicContact CZ-CG1 4.43Å; F666-V701 HydrophobicContact CZ-CG2 4.39Å; V699-V701 HydrophobicContact CG1-CG2 3.99Å; V701-I703 HydrophobicContact CG1-CG2 3.92Å; V701-I756 HydrophobicContact CG2-CD1 4.37Å; V701-T757 PolarHBondContact N-O 3.05Å; V701-F758 HydrophobicContact CB-CD1 3.55Å; V701-F758 HydrophobicContact CB-CE1 3.89Å; V701-F758 HydrophobicContact CB-CG 4.42Å; V701-F758 HydrophobicContact CG1-CD1 3.7Å; V701-F758 HydrophobicContact CG1-CE1 3.94Å; V701-F758 HydrophobicContact CG2-CD1 4.02Å; V701-F758 HydrophobicContact CG2-CE1 3.84Å; V701-C759 PolarHBondContact O-N 3.02Å
702	V	97.2	Very high	89.8	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	92.7	169.5	-148.1	0	0	0	0	118	Y660 I661 E662 N663 C759 L761 V778 W870 L927	Y660-V702 HydrophobicContact CE2-CG2 4.34Å; I661-V702 WeakPolarHBondContact O-CA 2.27Å; I661-V702 PolarHBondContact O-N 2.99Å; E662-V702 WeakPolarHBondContact CA-O 3.4Å; E662-V702 HydrophobicContact CG-CB 4.25Å; N663-V702 PolarHBondContact N-O 2.82Å; V702-C759 HydrophobicContact CG2-CB 4.15Å; V702-L761 HydrophobicContact CG1-CD1 4.31Å; V702-L761 HydrophobicContact CG1-CD2 3.97Å; V702-L761 HydrophobicContact CG1-CG 3.9Å; V702-V778 HydrophobicContact CG1-CG2 4.08Å; V702-W870 HydrophobicContact CG2-CH2 4.26Å; V702-W870 HydrophobicContact CG2-CZ2 3.91Å; V702-L927 HydrophobicContact CG2-CD2 4.22Å
703	I	95.2	Very high	89.1	Confident	5 Å²	5	37.7 Å²	37.7	3%	0.026	19%	0.191	C	C	.	.			trans	-131.9	152.2	-177.8	55.3	171.4	0	0	0	114	F666 V701 M734 C759 G760 F930	F666-I703 HydrophobicContact CB-CG2 4.02Å; V701-I703 HydrophobicContact CG1-CG2 3.92Å; I703-M734 HydrophobicContact CD1-CE 4.09Å; I703-M734 HydrophobicContact CD1-SD 3.78Å; I703-C759 PolarHBondContact N-O 2.84Å; I703-C759 VanDerWaalsContact N-O 3.08Å; I703-G760 WeakPolarHBondContact O-CA 3.35Å; I703-F930 HydrophobicContact CD1-CD1 4.14Å; I703-F930 HydrophobicContact CD1-CD2 3.64Å; I703-F930 HydrophobicContact CD1-CE1 3.95Å; I703-F930 HydrophobicContact CD1-CE2 3.45Å; I703-F930 VanDerWaalsContact CD1-CE2 3.45Å; I703-F930 HydrophobicContact CD1-CG 3.97Å; I703-F930 HydrophobicContact CD1-CZ 3.62Å; I703-F930 HydrophobicContact CG1-CD2 3.67Å; I703-F930 HydrophobicContact CG1-CE2 3.72Å; I703-F930 HydrophobicContact CG1-CG 4.32Å; I703-F930 HydrophobicContact CG1-CZ 4.39Å
704	P	94.2	Very high	88.2	Confident	10 Å²	10	36.7 Å²	36.7	7%	0.065	19%	0.191	C	C	.	.			trans	-68.2	138.9	178	28.5	-33.8	0	0	0	110.5	N663 Q664 L706 Y777 V778	N663-P704 VanDerWaalsContact O-CD 3.27Å; N663-P704 WeakPolarHBondContact O-CD 3.4Å; Q664-P704 WeakPolarHBondContact O-CD 3.33Å; Q664-P704 WeakPolarHBondContact O-CG 3.27Å; P704-L706 PolarHBondContact O-N 3.19Å; P704-Y777 HydrophobicContact CB-CD2 3.97Å; P704-Y777 HydrophobicContact CB-CE2 3.87Å; P704-Y777 HydrophobicContact CG-CE2 4.26Å; P704-V778 HydrophobicContact CB-CB 4.18Å
705	L	90.9	Very high	87.3	Confident	8 Å²	8	34.3 Å²	34.3	4%	0.042	19%	0.187	C	C	.	.	S	Bend	trans	-60.8	-29.5	-177.4	-73.4	174	0	0	0	113.4	R762 L775 P889 V928 F930	L705-R762 HydrophobicContact CD1-CB 4.25Å; L705-L775 HydrophobicContact CB-CB 4.21Å; L705-L775 HydrophobicContact CB-CD2 4.16Å; L705-L775 HydrophobicContact CD1-CB 3.95Å; L705-P889 HydrophobicContact CB-CG 4.36Å; L705-P889 WeakPolarHBondContact O-CG 3.3Å; L705-V928 HydrophobicContact CD1-CG2 3.89Å; L705-V928 HydrophobicContact CD2-CG2 4.05Å; L705-V928 HydrophobicContact CG-CG2 4.39Å; L705-F930 HydrophobicContact CD2-CD2 4.15Å
706	L	88.3	Confident	85.7	Confident	7 Å²	7	28.9 Å²	28.9	4%	0.037	16%	0.164	C	C	.	.	S	Bend	trans	-136.5	147.6	175.7	-65.5	172.9	0	0	0	110.5	I536 P704 I713 M725 L775 P889	I536-L706 HydrophobicContact CD1-CB 4.21Å; I536-L706 HydrophobicContact CD1-CD1 4.38Å; P704-L706 PolarHBondContact O-N 3.19Å; L706-I713 HydrophobicContact CD1-CB 4.31Å; L706-I713 HydrophobicContact CD1-CD1 4.12Å; L706-I713 HydrophobicContact CD1-CG1 3.9Å; L706-I713 HydrophobicContact CD2-CD1 3.7Å; L706-I713 HydrophobicContact CD2-CG1 4.25Å; L706-M725 HydrophobicContact CD2-SD 4.29Å; L706-L775 HydrophobicContact CB-CD2 3.95Å; L706-L775 HydrophobicContact CD1-CD2 3.94Å; L706-L775 HydrophobicContact CG-CD2 4.02Å; L706-P889 HydrophobicContact CD2-CB 4.35Å; L706-P889 HydrophobicContact CD2-CG 3.92Å; L706-P889 HydrophobicContact CG-CG 4.37Å
707	P	85.3	Confident	84.8	Confident	11 Å²	11	26 Å²	26	7%	0.071	15%	0.147	C	C	.	.			trans	-54.7	144.4	166.1	-26.3	35.1	0	0	0	112.8	F709 I721 I724 M725	P707-F709 HydrophobicContact CB-CD2 4.09Å; P707-F709 PolarHBondContact O-N 3.09Å; P707-I721 HydrophobicContact CG-CG2 4.36Å; P707-I724 HydrophobicContact CB-CB 3.96Å; P707-I724 HydrophobicContact CB-CD1 4.4Å; P707-I724 HydrophobicContact CB-CG2 3.91Å; P707-I724 HydrophobicContact CG-CB 3.79Å; P707-I724 HydrophobicContact CG-CG2 3.69Å; P707-M725 HydrophobicContact CG-CG 3.96Å
708	G	78.8	Confident	83.8	Confident	16 Å²	16	27 Å²	27	17%	0.165	16%	0.158	C	C	.	.	S	Bend	trans	-84.5	64.3	-172	0	0	0	0	0	114.8	Y777	G708-Y777 PolarHBondContact N-OH 2.91Å
709	F	78.7	Confident	82.9	Confident	73 Å²	73	29.2 Å²	29.2	32%	0.32	17%	0.171	S	C	.	.	S	Bend	trans	-135.5	153.5	-178.1	-66.7	-97.5	0	0	0	110.9	F535 P707 G711 A720 I721 I724	F535-F709 CarbonylContact O-C 3.53Å; P707-F709 HydrophobicContact CB-CD2 4.09Å; P707-F709 PolarHBondContact O-N 3.09Å; F709-G711 PolarHBondContact O-N 3.01Å; F709-A720 HydrophobicContact CB-CB 4.48Å; F709-A720 HydrophobicContact CD1-CB 4.13Å; F709-A720 HydrophobicContact CG-CB 4.25Å; F709-I721 HydrophobicContact CB-CG1 3.98Å; F709-I721 WeakPolarHBondContact O-CD1 3.36Å; F709-I724 HydrophobicContact CD2-CD1 3.84Å; F709-I724 HydrophobicContact CE2-CD1 3.17Å; F709-I724 HydrophobicContact CZ-CD1 3.66Å
710	E	78	Confident	81.8	Confident	114 Å²	114	30.1 Å²	30.1	53%	0.533	18%	0.179	S	C	.	.			trans	-64	132.4	174.7	-172.1	-178.7	120.6	0	0	110.6	F535 K538 D539	F535-E710 VanDerWaalsContact O-CA 3.32Å; F535-E710 WeakPolarHBondContact O-CA 3.33Å; F535-E710 PolarHBondContact O-N 3.24Å; K538-E710 WeakPolarHBondContact CA-OE2 3.47Å; D539-E710 PolarHBondContact N-OE2 3.14Å
711	G	76.2	Confident	80.9	Confident	14 Å²	14	30.2 Å²	30.2	14%	0.144	18%	0.179	C	C	.	.			trans	164.9	139.6	173	0	0	0	0	0	113.5	I536 F709 I713	I536-G711 PolarHBondContact O-N 3.29Å; I536-G711 VanDerWaalsContact O-N 3.09Å; F709-G711 PolarHBondContact O-N 3.01Å; G711-I713 PolarHBondContact O-N 2.96Å; G711-I713 VanDerWaalsContact O-N 3.1Å
712	D	77	Confident	80.1	Confident	80 Å²	80	31.6 Å²	31.6	43%	0.428	19%	0.185	S	C	.	.			trans	-75.3	102.5	-179.9	-174.4	-2.6	0	0	0	111.9	T714 T715 G717	D712-T714 PolarHBondContact O-N 2.87Å; D712-T714 VanDerWaalsContact O-N 3.14Å; D712-T714 WeakPolarHBondContact OD1-CB 3.33Å; D712-T714 WeakPolarHBondContact OD1-CG2 3.38Å; D712-T714 PolarHBondContact OD1-N 3.26Å; D712-T714 PolarHBondContact OD1-OG1 3.21Å; D712-T714 PolarHBondContact OD2-OG1 2.84Å; D712-T715 PolarHBondContact O-N 3.03Å; D712-T715 VanDerWaalsContact O-N 3.08Å; D712-T715 PolarHBondContact O-OG1 3.36Å; D712-G717 WeakPolarHBondContact O-CA 3.36Å; D712-G717 PolarHBondContact O-N 3.45Å
713	I	77.8	Confident	79.1	Confident	19 Å²	19	31.6 Å²	31.6	10%	0.097	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-57.6	-23.9	177.6	-166.5	60.7	0	0	0	113.6	L706 G711 T715 G716 L888 F934	L706-I713 HydrophobicContact CD1-CB 4.31Å; L706-I713 HydrophobicContact CD1-CD1 4.12Å; L706-I713 HydrophobicContact CD1-CG1 3.9Å; L706-I713 HydrophobicContact CD2-CD1 3.7Å; L706-I713 HydrophobicContact CD2-CG1 4.25Å; G711-I713 PolarHBondContact O-N 2.96Å; G711-I713 VanDerWaalsContact O-N 3.1Å; I713-T715 PolarHBondContact O-N 3.36Å; I713-G716 PolarHBondContact O-N 3.34Å; I713-G716 VanDerWaalsContact O-N 3.12Å; I713-L888 HydrophobicContact CG1-CB 3.92Å; I713-L888 HydrophobicContact CG1-CD1 4.17Å; I713-L888 HydrophobicContact CG2-CB 4.32Å; I713-L888 HydrophobicContact CG2-CD1 4.1Å; I713-F934 HydrophobicContact CD1-CE1 4.27Å; I713-F934 HydrophobicContact CD1-CZ 4.39Å
714	T	74.5	Confident	78.4	Confident	66 Å²	66	31.8 Å²	31.8	41%	0.405	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-69.7	-22.4	178	72.6	0	0	0	0	113	D712 L888	D712-T714 PolarHBondContact O-N 2.87Å; D712-T714 VanDerWaalsContact O-N 3.14Å; D712-T714 WeakPolarHBondContact OD1-CB 3.33Å; D712-T714 WeakPolarHBondContact OD1-CG2 3.38Å; D712-T714 PolarHBondContact OD1-N 3.26Å; D712-T714 PolarHBondContact OD1-OG1 3.21Å; D712-T714 PolarHBondContact OD2-OG1 2.84Å; T714-L888 HydrophobicContact CG2-CD1 4.49Å
715	T	72.2	Confident	77.6	Confident	102 Å²	102	31.5 Å²	31.5	63%	0.626	18%	0.184	S	C	*	.	G	3₁₀ helix	trans	-97	3.7	173.6	62	0	0	0	0	113.4	D712 I713	D712-T715 PolarHBondContact O-N 3.03Å; D712-T715 VanDerWaalsContact O-N 3.08Å; D712-T715 PolarHBondContact O-OG1 3.36Å; I713-T715 PolarHBondContact O-N 3.36Å
716	G	58.9	Low	76.9	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	105.2	4.6	-176.6	0	0	0	0	0	114.1	I713 Q722 L899	I713-G716 PolarHBondContact O-N 3.34Å; I713-G716 VanDerWaalsContact O-N 3.12Å; G716-Q722 VanDerWaalsContact O-CG 3.31Å; G716-Q722 WeakPolarHBondContact O-CG 3.41Å; G716-Q722 PolarHBondContact O-NE2 3.48Å; G716-L899 VanDerWaalsContact N-CD2 3.33Å
717	G	72.6	Confident	76	Confident	8 Å²	8	32.1 Å²	32.1	8%	0.082	19%	0.186	C	C	.	.			trans	76.2	167.3	-174.7	0	0	0	0	0	113	D712 Q722	D712-G717 WeakPolarHBondContact O-CA 3.36Å; D712-G717 PolarHBondContact O-N 3.45Å; G717-Q722 PolarHBondContact O-NE2 2.95Å
718	G	76.3	Confident	75.2	Confident	23 Å²	23	32.3 Å²	32.3	24%	0.237	19%	0.187	C	C	.	.			trans	-72.3	161.9	174.2	0	0	0	0	0	112.7	A720 I721 Q722	G718-A720 PolarHBondContact O-N 3.02Å; G718-I721 WeakPolarHBondContact O-CA 3.49Å; G718-I721 WeakPolarHBondContact O-CB 3.25Å; G718-I721 PolarHBondContact O-N 3.19Å; G718-Q722 PolarHBondContact O-N 2.94Å
719	N	76.8	Confident	74.6	Confident	56 Å²	56	31.8 Å²	31.8	30%	0.299	18%	0.18	S	C	.	.	H	α-helix	trans	-50.8	-36.3	-179	-64.3	-14.1	0	0	0	113.6	Q722 A723 S946 E948	N719-Q722 PolarHBondContact O-N 3.37Å; N719-A723 WeakPolarHBondContact O-CB 3.26Å; N719-A723 PolarHBondContact O-N 3.07Å; N719-S946 WeakPolarHBondContact ND2-CB 3.05Å; N719-E948 HydrophobicContact CB-CB 3.92Å; N719-E948 HydrophobicContact CB-CG 3.69Å; N719-E948 WeakPolarHBondContact CB-OE2 3.13Å; N719-E948 PolarHBondContact ND2-OE2 3.01Å
720	A	73.9	Confident	73.3	Confident	20 Å²	20	31.8 Å²	31.8	17%	0.165	18%	0.178	C	C	.	.	H	α-helix	trans	-71	-37.4	177	0	0	0	0	0	113.1	F709 G718 A723 I724 W956	F709-A720 HydrophobicContact CB-CB 4.48Å; F709-A720 HydrophobicContact CD1-CB 4.13Å; F709-A720 HydrophobicContact CG-CB 4.25Å; G718-A720 PolarHBondContact O-N 3.02Å; A720-A723 PolarHBondContact O-N 3.36Å; A720-I724 WeakPolarHBondContact O-CG1 3.45Å; A720-I724 PolarHBondContact O-N 2.93Å; A720-I724 VanDerWaalsContact O-N 3.1Å; A720-W956 HydrophobicContact CB-CH2 3.94Å; A720-W956 HydrophobicContact CB-CZ3 3.88Å
721	I	79	Confident	71.6	Confident	1 Å²	1	31.7 Å²	31.7	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-62.1	-48.6	171.9	-58.1	179.9	0	0	0	108.6	P707 F709 G718 A723 I724 M725	P707-I721 HydrophobicContact CG-CG2 4.36Å; F709-I721 HydrophobicContact CB-CG1 3.98Å; F709-I721 WeakPolarHBondContact O-CD1 3.36Å; G718-I721 WeakPolarHBondContact O-CA 3.49Å; G718-I721 WeakPolarHBondContact O-CB 3.25Å; G718-I721 PolarHBondContact O-N 3.19Å; I721-A723 PolarHBondContact O-N 3.5Å; I721-I724 PolarHBondContact O-N 2.87Å; I721-M725 HydrophobicContact CG2-CG 4.26Å; I721-M725 HydrophobicContact CG2-SD 3.79Å; I721-M725 VanDerWaalsContact O-CB 3.22Å; I721-M725 WeakPolarHBondContact O-CB 3.49Å; I721-M725 VanDerWaalsContact O-CG 3.31Å; I721-M725 WeakPolarHBondContact O-CG 3.37Å; I721-M725 PolarHBondContact O-N 3.05Å
722	Q	80.4	Confident	70.3	Confident	30 Å²	30	32.7 Å²	32.7	14%	0.14	18%	0.177	C	C	.	.	H	α-helix	trans	-61.7	-41.3	177.1	-65.3	-176.4	6.9	0	0	112.1	G716 G717 G718 N719 I724 H726 L940	G716-Q722 VanDerWaalsContact O-CG 3.31Å; G716-Q722 WeakPolarHBondContact O-CG 3.41Å; G716-Q722 PolarHBondContact O-NE2 3.48Å; G717-Q722 PolarHBondContact O-NE2 2.95Å; G718-Q722 PolarHBondContact O-N 2.94Å; N719-Q722 PolarHBondContact O-N 3.37Å; Q722-I724 PolarHBondContact O-N 3.25Å; Q722-H726 WeakPolarHBondContact O-CB 3.44Å; Q722-H726 PolarHBondContact O-N 3.07Å; Q722-L940 CarbonylContact C-O 3.54Å; Q722-L940 HydrophobicContact CG-CD2 4.42Å
723	A	77	Confident	69.4	Low	0 Å²	0	29 Å²	29	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-58.9	-45	176.5	0	0	0	0	0	112.9	N719 A720 I721 H726 F727 P942 W956	N719-A723 WeakPolarHBondContact O-CB 3.26Å; N719-A723 PolarHBondContact O-N 3.07Å; A720-A723 PolarHBondContact O-N 3.36Å; I721-A723 PolarHBondContact O-N 3.5Å; A723-H726 VanDerWaalsContact O-CB 3.26Å; A723-H726 WeakPolarHBondContact O-CB 3.26Å; A723-H726 PolarHBondContact O-N 3.42Å; A723-F727 WeakPolarHBondContact O-CD2 3.36Å; A723-F727 PolarHBondContact O-N 2.97Å; A723-F727 VanDerWaalsContact O-N 3.14Å; A723-P942 HydrophobicContact CB-CG 3.6Å; A723-W956 HydrophobicContact CB-CD2 3.82Å; A723-W956 HydrophobicContact CB-CE3 3.91Å; A723-W956 HydrophobicContact CB-CG 4.23Å; A723-W956 HydrophobicContact CB-CZ3 4.32Å
724	I	79	Confident	68.6	Low	10 Å²	10	28.1 Å²	28.1	5%	0.051	15%	0.153	C	C	.	.	H	α-helix	trans	-82.3	-37.2	-176.6	-63.3	168.9	0	0	0	110.9	F665 P707 F709 A720 I721 Q722 H726 F727 T728 W956	F665-I724 HydrophobicContact CD1-CG2 3.79Å; F665-I724 HydrophobicContact CE1-CD1 4.37Å; F665-I724 HydrophobicContact CE1-CG2 3.72Å; P707-I724 HydrophobicContact CB-CB 3.96Å; P707-I724 HydrophobicContact CB-CD1 4.4Å; P707-I724 HydrophobicContact CB-CG2 3.91Å; P707-I724 HydrophobicContact CG-CB 3.79Å; P707-I724 HydrophobicContact CG-CG2 3.69Å; F709-I724 HydrophobicContact CD2-CD1 3.84Å; F709-I724 HydrophobicContact CE2-CD1 3.17Å; F709-I724 HydrophobicContact CZ-CD1 3.66Å; A720-I724 WeakPolarHBondContact O-CG1 3.45Å; A720-I724 PolarHBondContact O-N 2.93Å; A720-I724 VanDerWaalsContact O-N 3.1Å; I721-I724 PolarHBondContact O-N 2.87Å; Q722-I724 PolarHBondContact O-N 3.25Å; I724-H726 PolarHBondContact O-N 2.74Å; I724-F727 PolarHBondContact O-N 3.49Å; I724-T728 WeakPolarHBondContact O-CB 3.4Å; I724-T728 PolarHBondContact O-N 3.42Å; I724-T728 PolarHBondContact O-OG1 2.99Å; I724-W956 HydrophobicContact CD1-CE3 4.33Å; I724-W956 HydrophobicContact CG1-CE3 4.06Å
725	M	78.8	Confident	67.9	Low	4 Å²	4	26.3 Å²	26.3	2%	0.02	14%	0.143	C	C	.	.	H	α-helix	trans	-53.5	-40.3	164	-80.5	-179.6	52	0	0	110	L706 P707 I721 T728 Y729 F934 L935 L940	L706-M725 HydrophobicContact CD2-SD 4.29Å; P707-M725 HydrophobicContact CG-CG 3.96Å; I721-M725 HydrophobicContact CG2-CG 4.26Å; I721-M725 HydrophobicContact CG2-SD 3.79Å; I721-M725 VanDerWaalsContact O-CB 3.22Å; I721-M725 WeakPolarHBondContact O-CB 3.49Å; I721-M725 VanDerWaalsContact O-CG 3.31Å; I721-M725 WeakPolarHBondContact O-CG 3.37Å; I721-M725 PolarHBondContact O-N 3.05Å; M725-T728 CarbonylContact O-C 3.58Å; M725-T728 PolarHBondContact O-N 3.46Å; M725-Y729 HydrophobicContact CB-CD2 3.97Å; M725-Y729 HydrophobicContact CB-CE2 4.26Å; M725-Y729 HydrophobicContact CE-CD2 4.27Å; M725-Y729 HydrophobicContact CE-CE2 3.95Å; M725-Y729 HydrophobicContact CG-CD2 4.38Å; M725-Y729 HydrophobicContact CG-CE2 4.16Å; M725-Y729 VanDerWaalsContact O-CB 3.25Å; M725-Y729 WeakPolarHBondContact O-CB 3.48Å; M725-Y729 WeakPolarHBondContact O-CD2 3.48Å; M725-Y729 PolarHBondContact O-N 3.37Å; M725-F934 HydrophobicContact CE-CD1 3.6Å; M725-F934 HydrophobicContact CE-CE1 3.62Å; M725-F934 HydrophobicContact SD-CE1 4.43Å; M725-L935 HydrophobicContact CE-CD1 4.22Å; M725-L940 HydrophobicContact CB-CD1 4.07Å; M725-L940 HydrophobicContact CE-CD1 4.02Å
726	H	76.3	Confident	67.5	Low	12 Å²	12	23.3 Å²	23.3	6%	0.056	12%	0.12	C	C	.	.	H	α-helix	trans	-61.2	-53.3	177.6	-172.8	119.5	0	0	0	111.8	Q722 A723 I724 T728 Y729 R730 N939 L940 Q941	Q722-H726 WeakPolarHBondContact O-CB 3.44Å; Q722-H726 PolarHBondContact O-N 3.07Å; A723-H726 VanDerWaalsContact O-CB 3.26Å; A723-H726 WeakPolarHBondContact O-CB 3.26Å; A723-H726 PolarHBondContact O-N 3.42Å; I724-H726 PolarHBondContact O-N 2.74Å; H726-T728 PolarHBondContact O-N 3.19Å; H726-Y729 CarbonylContact O-C 3.54Å; H726-Y729 PolarHBondContact O-N 3.11Å; H726-Y729 VanDerWaalsContact O-N 3.11Å; H726-R730 HydrophobicContact CB-CB 4.49Å; H726-R730 HydrophobicContact CB-CG 3.41Å; H726-R730 VanDerWaalsContact CB-CG 3.41Å; H726-R730 WeakPolarHBondContact CD2-CB 3.42Å; H726-R730 WeakPolarHBondContact CD2-CD 3.48Å; H726-R730 WeakPolarHBondContact CD2-CG 3.47Å; H726-R730 PolarHBondContact CD2-NE 2.77Å; H726-R730 VanDerWaalsContact CE1-CB 3.4Å; H726-R730 WeakPolarHBondContact CE1-CB 3.37Å; H726-R730 WeakPolarHBondContact CE1-CD 3.4Å; H726-R730 WeakPolarHBondContact CE1-CG 3.34Å; H726-R730 PolarHBondContact CE1-NE 2.85Å; H726-R730 VanDerWaalsContact CG-CB 3.47Å; H726-R730 WeakPolarHBondContact ND1-CD 3.47Å; H726-R730 WeakPolarHBondContact ND1-CG 3.39Å; H726-R730 WeakPolarHBondContact NE2-CB 3.45Å; H726-R730 WeakPolarHBondContact NE2-CD 3.47Å; H726-R730 WeakPolarHBondContact NE2-CG 3.13Å; H726-R730 PolarHBondContact NE2-NE 3.08Å; H726-R730 WeakPolarHBondContact O-CB 3.37Å; H726-R730 WeakPolarHBondContact O-CG 3.31Å; H726-R730 PolarHBondContact O-N 2.8Å; H726-N939 PolarHBondContact CE1-OD1 3.16Å; H726-L940 HydrophobicContact CB-CB 3.83Å; H726-L940 WeakPolarHBondContact CB-O 3.44Å; H726-L940 PolarHBondContact ND1-O 3.26Å; H726-Q941 PolarHBondContact ND1-N 3.27Å
727	F	69.2	Low	67.8	Low	16 Å²	16	24.5 Å²	24.5	7%	0.07	13%	0.132	C	C	.	.	H	α-helix	trans	-68	-17.5	179.4	-66.2	-67.1	0	0	0	113.7	I667 V674 A723 I724 T953 W956 T957	I667-F727 HydrophobicContact CD1-CB 3.74Å; I667-F727 HydrophobicContact CG1-CB 3.96Å; I667-F727 HydrophobicContact CG2-CB 3.99Å; V674-F727 HydrophobicContact CG1-CE1 4.41Å; A723-F727 WeakPolarHBondContact O-CD2 3.36Å; A723-F727 PolarHBondContact O-N 2.97Å; A723-F727 VanDerWaalsContact O-N 3.14Å; I724-F727 PolarHBondContact O-N 3.49Å; F727-T953 HydrophobicContact CE1-CG2 4.04Å; F727-T953 HydrophobicContact CZ-CG2 3.59Å; F727-W956 HydrophobicContact CD2-CB 3.65Å; F727-W956 HydrophobicContact CE2-CB 3.53Å; F727-W956 HydrophobicContact CE2-CG 4.23Å; F727-T957 HydrophobicContact CD1-CG2 3.7Å; F727-T957 HydrophobicContact CD2-CG2 4.25Å; F727-T957 HydrophobicContact CE1-CG2 3.78Å; F727-T957 HydrophobicContact CE2-CG2 4.33Å; F727-T957 HydrophobicContact CG-CG2 3.97Å; F727-T957 HydrophobicContact CZ-CG2 4.11Å
728	T	67.8	Low	67.3	Low	15 Å²	15	29 Å²	29	9%	0.092	16%	0.155	C	C	.	.	H	α-helix	trans	-80.5	-36.1	170.2	-49.4	0	0	0	0	112.5	I724 M725 H726 M734 F930	I724-T728 WeakPolarHBondContact O-CB 3.4Å; I724-T728 PolarHBondContact O-N 3.42Å; I724-T728 PolarHBondContact O-OG1 2.99Å; M725-T728 CarbonylContact O-C 3.58Å; M725-T728 PolarHBondContact O-N 3.46Å; H726-T728 PolarHBondContact O-N 3.19Å; T728-M734 HydrophobicContact CG2-SD 3.98Å; T728-F930 HydrophobicContact CG2-CZ 4.49Å
729	Y	67.1	Low	66.8	Low	4 Å²	4	32.1 Å²	32.1	2%	0.016	16%	0.163	C	C	.	.	H	α-helix	trans	-110.3	-55	-171.4	-71.7	-68.6	0	0	0	115.4	M725 H726 E731 R736 F930 P931	M725-Y729 HydrophobicContact CB-CD2 3.97Å; M725-Y729 HydrophobicContact CB-CE2 4.26Å; M725-Y729 HydrophobicContact CE-CD2 4.27Å; M725-Y729 HydrophobicContact CE-CE2 3.95Å; M725-Y729 HydrophobicContact CG-CD2 4.38Å; M725-Y729 HydrophobicContact CG-CE2 4.16Å; M725-Y729 VanDerWaalsContact O-CB 3.25Å; M725-Y729 WeakPolarHBondContact O-CB 3.48Å; M725-Y729 WeakPolarHBondContact O-CD2 3.48Å; M725-Y729 PolarHBondContact O-N 3.37Å; H726-Y729 CarbonylContact O-C 3.54Å; H726-Y729 PolarHBondContact O-N 3.11Å; H726-Y729 VanDerWaalsContact O-N 3.11Å; Y729-E731 PolarHBondContact O-N 3.49Å; Y729-R736 VanDerWaalsContact O-CB 3.23Å; Y729-R736 WeakPolarHBondContact O-CB 3.09Å; Y729-R736 VanDerWaalsContact O-CD 3.27Å; Y729-R736 WeakPolarHBondContact O-CD 3.38Å; Y729-R736 VanDerWaalsContact O-CG 3.25Å; Y729-R736 WeakPolarHBondContact O-CG 3.48Å; Y729-F930 HydrophobicContact CE1-CD1 4.37Å; Y729-F930 AromaticContact CE1-CE1 3.62Å; Y729-F930 HydrophobicContact CE1-CE1 3.62Å; Y729-F930 HydrophobicContact CE1-CZ 4.46Å; Y729-F930 HydrophobicContact CE2-CE1 4.49Å; Y729-F930 AromaticContact CZ-CE1 3.55Å; Y729-F930 AromaticContact CZ-CZ 3.97Å; Y729-F930 VanDerWaalsContact OH-CE1 3.23Å; Y729-F930 WeakPolarHBondContact OH-CE1 3.39Å; Y729-F930 WeakPolarHBondContact OH-CZ 3.47Å; Y729-P931 PolarHBondContact OH-O 3.32Å
730	R	50.3	Low	66.5	Low	74 Å²	74	29.4 Å²	29.4	28%	0.279	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-42.9	-61.4	-164.6	-83	169.2	40.6	-171.6	-5.7	114.1	H726 R736	H726-R730 HydrophobicContact CB-CB 4.49Å; H726-R730 HydrophobicContact CB-CG 3.41Å; H726-R730 VanDerWaalsContact CB-CG 3.41Å; H726-R730 WeakPolarHBondContact CD2-CB 3.42Å; H726-R730 WeakPolarHBondContact CD2-CD 3.48Å; H726-R730 WeakPolarHBondContact CD2-CG 3.47Å; H726-R730 PolarHBondContact CD2-NE 2.77Å; H726-R730 VanDerWaalsContact CE1-CB 3.4Å; H726-R730 WeakPolarHBondContact CE1-CB 3.37Å; H726-R730 WeakPolarHBondContact CE1-CD 3.4Å; H726-R730 WeakPolarHBondContact CE1-CG 3.34Å; H726-R730 PolarHBondContact CE1-NE 2.85Å; H726-R730 VanDerWaalsContact CG-CB 3.47Å; H726-R730 WeakPolarHBondContact ND1-CD 3.47Å; H726-R730 WeakPolarHBondContact ND1-CG 3.39Å; H726-R730 WeakPolarHBondContact NE2-CB 3.45Å; H726-R730 WeakPolarHBondContact NE2-CD 3.47Å; H726-R730 WeakPolarHBondContact NE2-CG 3.13Å; H726-R730 PolarHBondContact NE2-NE 3.08Å; H726-R730 WeakPolarHBondContact O-CB 3.37Å; H726-R730 WeakPolarHBondContact O-CG 3.31Å; H726-R730 PolarHBondContact O-N 2.8Å; R730-R736 WeakPolarHBondContact O-CB 3.32Å
731	E	41.7	Very low	66.5	Low	112 Å²	112	28.5 Å²	28.5	52%	0.523	14%	0.141	S	C	.	.	S	Bend	trans	-149.8	85.1	-154.3	-76.4	-75.3	-161	0	0	106	Y729	Y729-E731 PolarHBondContact O-N 3.49Å
732	R	50.3	Low	66.2	Low	34 Å²	34	29.2 Å²	29.2	13%	0.128	14%	0.144	C	C	.	.	S	Bend	trans	87.3	16.1	140.6	-54.2	164.4	-171	-132.5	-9.3	120	C669 E671 R736 D738 H739 S740	C669-R732 WeakPolarHBondContact CB-O 3.36Å; E671-R732 VanDerWaalsContact CD-NH1 3.3Å; E671-R732 IonicContact OE1-CZ 3.76Å; E671-R732 IonicContact OE1-NE 2.85Å; E671-R732 IonicContact OE1-NH1 2.89Å; E671-R732 PolarHBondContact OE1-NH1 3.49Å; E671-R732 WeakPolarHBondContact OE2-CD 3.36Å; E671-R732 IonicContact OE2-CZ 3.59Å; E671-R732 IonicContact OE2-NE 3.9Å; E671-R732 PolarHBondContact OE2-NE 2.72Å; E671-R732 IonicContact OE2-NH1 3.67Å; E671-R732 PolarHBondContact OE2-NH1 3.29Å; R732-R736 WeakPolarHBondContact CA-O 3.45Å; R732-R736 WeakPolarHBondContact CG-O 3.46Å; R732-R736 PolarHBondContact N-O 3.1Å; R732-D738 VanDerWaalsContact CZ-N 3.3Å; R732-D738 IonicContact CZ-OD2 2.78Å; R732-D738 IonicContact NH1-OD2 2.87Å; R732-D738 IonicContact NH2-OD2 2.9Å; R732-D738 PolarHBondContact NH2-OD2 3.23Å; R732-H739 HydrophobicContact CB-CB 4.19Å; R732-H739 HydrophobicContact CG-CB 4.32Å; R732-S740 WeakPolarHBondContact O-CA 3.21Å
733	T	56.7	Low	65.9	Low	4 Å²	4	28.3 Å²	28.3	3%	0.025	14%	0.142	C	C	.	.	S	Bend	trans	-84.5	-76.8	151.3	-42.4	0	0	0	0	111	F666 S668 I741	F666-T733 HydrophobicContact CD1-CG2 3.69Å; F666-T733 HydrophobicContact CE1-CG2 3.82Å; F666-T733 WeakPolarHBondContact O-CG2 3.49Å; S668-T733 PolarHBondContact N-OG1 3.43Å; S668-T733 WeakPolarHBondContact O-CB 3.26Å; S668-T733 PolarHBondContact O-OG1 3.16Å; T733-I741 HydrophobicContact CG2-CD1 4.27Å; T733-I741 WeakPolarHBondContact O-CB 3.45Å; T733-I741 WeakPolarHBondContact O-CD1 3.36Å; T733-I741 WeakPolarHBondContact O-CG1 3Å; T733-I741 PolarHBondContact O-N 3.11Å
734	M	61	Low	65.9	Low	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.152	C	C	.	.	S	Bend	trans	-77.1	-71.3	-170.9	-69	175.1	55.4	0	0	114.3	F666 I703 T728 L742 F758 F930 L932	F666-M734 HydrophobicContact CD1-CG 3.91Å; F666-M734 HydrophobicContact CD1-SD 4.29Å; F666-M734 HydrophobicContact CE1-CG 4.25Å; I703-M734 HydrophobicContact CD1-CE 4.09Å; I703-M734 HydrophobicContact CD1-SD 3.78Å; T728-M734 HydrophobicContact CG2-SD 3.98Å; M734-L742 WeakPolarHBondContact O-CG 3.09Å; M734-L742 PolarHBondContact O-N 2.85Å; M734-L742 VanDerWaalsContact O-N 3.13Å; M734-F758 HydrophobicContact CE-CB 3.94Å; M734-F758 HydrophobicContact CE-CD1 3.41Å; M734-F758 VanDerWaalsContact CE-CD1 3.41Å; M734-F758 HydrophobicContact CE-CD2 4.19Å; M734-F758 HydrophobicContact CE-CE1 3.87Å; M734-F758 HydrophobicContact CE-CG 3.59Å; M734-F758 HydrophobicContact CE-CZ 4.42Å; M734-F758 HydrophobicContact CG-CD1 4.35Å; M734-F758 HydrophobicContact CG-CE1 3.83Å; M734-F758 HydrophobicContact CG-CZ 4.13Å; M734-F758 HydrophobicContact SD-CD1 4.1Å; M734-F758 HydrophobicContact SD-CE1 4.15Å; M734-F930 HydrophobicContact CE-CD1 3.55Å; M734-F930 HydrophobicContact CE-CE1 3.86Å; M734-F930 HydrophobicContact CE-CG 4.34Å; M734-F930 HydrophobicContact SD-CE1 4.33Å; M734-L932 HydrophobicContact CE-CD2 3.51Å
735	C	60.2	Low	65.8	Low	27 Å²	27	30.6 Å²	30.6	18%	0.182	15%	0.15	C	C	.	.	S	Bend	trans	-141.2	-2.8	-161.2	65.4	0	0	0	0	118.5	L742 L932	C735-L742 HydrophobicContact CB-CB 4.49Å; C735-L742 HydrophobicContact CB-CD1 3.81Å; C735-L742 HydrophobicContact CB-CG 4.28Å; C735-L932 HydrophobicContact CB-CD1 4.46Å; C735-L932 HydrophobicContact CB-CD2 4.34Å
736	R	64.3	Low	65.2	Low	39 Å²	39	38.1 Å²	38.1	15%	0.147	18%	0.178	C	C	.	.	S	Bend	trans	-120.9	145.7	-178	-47	179.4	-169.4	172.9	-0.1	110.3	Y729 R730 R732 S740 L932 F934 L935	Y729-R736 VanDerWaalsContact O-CB 3.23Å; Y729-R736 WeakPolarHBondContact O-CB 3.09Å; Y729-R736 VanDerWaalsContact O-CD 3.27Å; Y729-R736 WeakPolarHBondContact O-CD 3.38Å; Y729-R736 VanDerWaalsContact O-CG 3.25Å; Y729-R736 WeakPolarHBondContact O-CG 3.48Å; R730-R736 WeakPolarHBondContact O-CB 3.32Å; R732-R736 WeakPolarHBondContact CA-O 3.45Å; R732-R736 WeakPolarHBondContact CG-O 3.46Å; R732-R736 PolarHBondContact N-O 3.1Å; R736-S740 WeakPolarHBondContact O-CB 3.16Å; R736-L932 PolarHBondContact NH2-O 2.99Å; R736-F934 PolarHBondContact NH2-O 3.32Å; R736-L935 PolarHBondContact NH1-O 2.86Å
737	G	64.8	Low	64.8	Low	25 Å²	25	43.4 Å²	43.4	26%	0.258	20%	0.202	S	C	.	.	S	Bend	trans	75.9	165.4	-172.3	0	0	0	0	0	114.4	S740 S743	G737-S740 WeakPolarHBondContact O-CB 3.33Å; G737-S740 PolarHBondContact O-N 3.07Å; G737-S740 PolarHBondContact O-OG 3.23Å; G737-S743 VanDerWaalsContact O-CB 3.26Å; G737-S743 WeakPolarHBondContact O-CB 3.43Å; G737-S743 PolarHBondContact O-OG 2.89Å
738	D	62.6	Low	64.8	Low	103 Å²	103	42.8 Å²	42.8	55%	0.551	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-33.3	-164.1	-52.2	-57.4	0	0	0	114.9	R732 S740 S743	R732-D738 VanDerWaalsContact CZ-N 3.3Å; R732-D738 IonicContact CZ-OD2 2.78Å; R732-D738 IonicContact NH1-OD2 2.87Å; R732-D738 IonicContact NH2-OD2 2.9Å; R732-D738 PolarHBondContact NH2-OD2 3.23Å; D738-S740 VanDerWaalsContact C-N 3.3Å; D738-S740 PolarHBondContact O-N 2.87Å; D738-S743 WeakPolarHBondContact O-CB 3.47Å
739	H	65.6	Low	64.5	Low	88 Å²	88	50.2 Å²	50.2	41%	0.407	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	4.8	179.3	-57.9	-12	0	0	0	113.9	E671 R732 R744	E671-H739 VanDerWaalsContact CD-CD2 3.42Å; E671-H739 IonicContact OE2-CD2 2.76Å; E671-H739 PolarHBondContact OE2-CD2 2.74Å; E671-H739 IonicContact OE2-CG 3.42Å; E671-H739 IonicContact OE2-NE2 2.62Å; R732-H739 HydrophobicContact CB-CB 4.19Å; R732-H739 HydrophobicContact CG-CB 4.32Å; H739-R744 VanDerWaalsContact O-CD 3.23Å; H739-R744 WeakPolarHBondContact O-CD 3.38Å
740	S	70.7	Confident	64.6	Low	0 Å²	0	56.3 Å²	56.3	0%	0	26%	0.264	C	S	.	.	S	Bend	trans	-59.1	152.7	177.3	91.1	0	0	0	0	112.6	R732 R736 G737 D738 L742 S743 R744	R732-S740 WeakPolarHBondContact O-CA 3.21Å; R736-S740 WeakPolarHBondContact O-CB 3.16Å; G737-S740 WeakPolarHBondContact O-CB 3.33Å; G737-S740 PolarHBondContact O-N 3.07Å; G737-S740 PolarHBondContact O-OG 3.23Å; D738-S740 VanDerWaalsContact C-N 3.3Å; D738-S740 PolarHBondContact O-N 2.87Å; S740-L742 VanDerWaalsContact C-N 3.29Å; S740-L742 PolarHBondContact O-N 3.38Å; S740-S743 PolarHBondContact O-N 2.94Å; S740-S743 VanDerWaalsContact OG-CB 3.25Å; S740-S743 WeakPolarHBondContact OG-CB 3.28Å; S740-S743 PolarHBondContact OG-N 3.43Å; S740-S743 PolarHBondContact OG-OG 2.94Å; S740-R744 PolarHBondContact O-N 2.98Å
741	I	72.9	Confident	65.9	Low	0 Å²	0	56.6 Å²	56.6	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-51.7	-50.9	176.4	-68	164.7	0	0	0	109.8	F666 V684 T733 S743 L745 I756	F666-I741 HydrophobicContact CE1-CD1 3.68Å; F666-I741 HydrophobicContact CZ-CD1 4.04Å; V684-I741 HydrophobicContact CG2-CB 4Å; V684-I741 HydrophobicContact CG2-CG1 3.82Å; V684-I741 HydrophobicContact CG2-CG2 3.94Å; T733-I741 HydrophobicContact CG2-CD1 4.27Å; T733-I741 WeakPolarHBondContact O-CB 3.45Å; T733-I741 WeakPolarHBondContact O-CD1 3.36Å; T733-I741 WeakPolarHBondContact O-CG1 3Å; T733-I741 PolarHBondContact O-N 3.11Å; I741-S743 VanDerWaalsContact C-N 3.35Å; I741-S743 PolarHBondContact O-N 2.96Å; I741-L745 HydrophobicContact CG2-CD1 3.84Å; I741-L745 WeakPolarHBondContact O-CB 3.22Å; I741-L745 WeakPolarHBondContact O-CG 3.44Å; I741-L745 PolarHBondContact O-N 3.45Å; I741-I756 HydrophobicContact CG2-CD1 4.08Å
742	L	74.5	Confident	67.9	Low	16 Å²	16	54.3 Å²	54.3	8%	0.084	26%	0.255	C	S	.	.	H	α-helix	trans	-70.5	-26.9	178.6	-59.4	-167.2	0	0	0	113.8	M734 C735 S740 L745 R746 W752 I756 F758 L932	M734-L742 WeakPolarHBondContact O-CG 3.09Å; M734-L742 PolarHBondContact O-N 2.85Å; M734-L742 VanDerWaalsContact O-N 3.13Å; C735-L742 HydrophobicContact CB-CB 4.49Å; C735-L742 HydrophobicContact CB-CD1 3.81Å; C735-L742 HydrophobicContact CB-CG 4.28Å; S740-L742 VanDerWaalsContact C-N 3.29Å; S740-L742 PolarHBondContact O-N 3.38Å; L742-L745 HydrophobicContact CD2-CD1 4.45Å; L742-R746 PolarHBondContact O-N 3.23Å; L742-W752 HydrophobicContact CD1-CD2 4.31Å; L742-W752 HydrophobicContact CD1-CE3 4.12Å; L742-W752 HydrophobicContact CD1-CH2 3.65Å; L742-W752 HydrophobicContact CD1-CZ2 3.86Å; L742-W752 HydrophobicContact CD1-CZ3 3.79Å; L742-W752 HydrophobicContact CD2-CD2 3.65Å; L742-W752 HydrophobicContact CD2-CE3 3.32Å; L742-W752 HydrophobicContact CD2-CG 4.2Å; L742-W752 HydrophobicContact CD2-CH2 4.39Å; L742-W752 HydrophobicContact CD2-CZ3 3.73Å; L742-W752 HydrophobicContact CG-CE3 4.35Å; L742-W752 HydrophobicContact CG-CZ3 4.44Å; L742-I756 HydrophobicContact CD2-CG2 4.07Å; L742-F758 HydrophobicContact CD2-CE2 4.37Å; L742-L932 HydrophobicContact CD1-CD1 4.03Å
743	S	74.1	Confident	69.6	Low	12 Å²	12	56 Å²	56	8%	0.084	27%	0.269	C	S	.	.	H	α-helix	trans	-73.3	-40.4	176.5	-66.4	0	0	0	0	112.4	G737 D738 S740 I741 R746	G737-S743 VanDerWaalsContact O-CB 3.26Å; G737-S743 WeakPolarHBondContact O-CB 3.43Å; G737-S743 PolarHBondContact O-OG 2.89Å; D738-S743 WeakPolarHBondContact O-CB 3.47Å; S740-S743 PolarHBondContact O-N 2.94Å; S740-S743 VanDerWaalsContact OG-CB 3.25Å; S740-S743 WeakPolarHBondContact OG-CB 3.28Å; S740-S743 PolarHBondContact OG-N 3.43Å; S740-S743 PolarHBondContact OG-OG 2.94Å; I741-S743 VanDerWaalsContact C-N 3.35Å; I741-S743 PolarHBondContact O-N 2.96Å; S743-R746 VanDerWaalsContact O-CB 3.23Å; S743-R746 WeakPolarHBondContact O-CB 3.38Å; S743-R746 WeakPolarHBondContact O-CD 3.26Å; S743-R746 VanDerWaalsContact O-CG 3.24Å; S743-R746 WeakPolarHBondContact O-CG 3.47Å; S743-R746 PolarHBondContact O-N 3.17Å
744	R	75.9	Confident	71.1	Confident	58 Å²	58	58.5 Å²	58.5	22%	0.219	28%	0.28	C	S	.	.	H	α-helix	trans	-70.4	-36.5	173.5	-72.3	165	61.8	-179.2	-1.7	111.7	D681 V684 D685 H739 S740 R746 E747	D681-R744 IonicContact OD1-CZ 3.71Å; D681-R744 IonicContact OD1-NH1 3.91Å; D681-R744 PolarHBondContact OD1-NH1 2.81Å; D681-R744 IonicContact OD1-NH2 3.59Å; V684-R744 HydrophobicContact CG1-CB 3.77Å; V684-R744 HydrophobicContact CG2-CB 4.48Å; D685-R744 IonicContact OD1-NH2 3.15Å; D685-R744 PolarHBondContact OD1-NH2 3.18Å; D685-R744 IonicContact OD2-NH2 2.74Å; H739-R744 VanDerWaalsContact O-CD 3.23Å; H739-R744 WeakPolarHBondContact O-CD 3.38Å; S740-R744 PolarHBondContact O-N 2.98Å; R744-R746 PolarHBondContact O-N 2.64Å; R744-R746 VanDerWaalsContact O-N 3.09Å; R744-E747 PolarHBondContact O-N 3.47Å
745	L	76.6	Confident	72.5	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-68.3	0.6	172	-66.4	174.7	0	0	0	113.9	V684 I687 L688 I741 L742 E747 V748 W752 I756	V684-L745 HydrophobicContact CG1-CD2 4.43Å; I687-L745 HydrophobicContact CB-CD2 3.97Å; I687-L745 HydrophobicContact CD1-CD1 3.99Å; I687-L745 HydrophobicContact CG2-CD1 4.39Å; I687-L745 HydrophobicContact CG2-CD2 3.49Å; I687-L745 VanDerWaalsContact CG2-CD2 3.49Å; L688-L745 HydrophobicContact CD2-CD2 3.98Å; L688-L745 HydrophobicContact CG-CD2 4.17Å; I741-L745 HydrophobicContact CG2-CD1 3.84Å; I741-L745 WeakPolarHBondContact O-CB 3.22Å; I741-L745 WeakPolarHBondContact O-CG 3.44Å; I741-L745 PolarHBondContact O-N 3.45Å; L742-L745 HydrophobicContact CD2-CD1 4.45Å; L745-E747 PolarHBondContact O-N 3.05Å; L745-V748 HydrophobicContact CD2-CG2 4.21Å; L745-V748 WeakPolarHBondContact O-CA 3.24Å; L745-V748 VanDerWaalsContact O-CB 3.29Å; L745-V748 WeakPolarHBondContact O-CB 3.1Å; L745-V748 PolarHBondContact O-N 2.82Å; L745-W752 HydrophobicContact CB-CB 3.94Å; L745-W752 HydrophobicContact CD1-CB 4.24Å; L745-I756 HydrophobicContact CD1-CG2 4.06Å
746	R	67.6	Low	74.1	Confident	161 Å²	161	58.4 Å²	58.4	61%	0.608	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-64.6	-17.7	166.4	-65	176	-173.2	171.2	5.2	113.3	L742 S743 R744 V748 K749	L742-R746 PolarHBondContact O-N 3.23Å; S743-R746 VanDerWaalsContact O-CB 3.23Å; S743-R746 WeakPolarHBondContact O-CB 3.38Å; S743-R746 WeakPolarHBondContact O-CD 3.26Å; S743-R746 VanDerWaalsContact O-CG 3.24Å; S743-R746 WeakPolarHBondContact O-CG 3.47Å; S743-R746 PolarHBondContact O-N 3.17Å; R744-R746 PolarHBondContact O-N 2.64Å; R744-R746 VanDerWaalsContact O-N 3.09Å; R746-V748 PolarHBondContact O-N 3.29Å; R746-K749 PolarHBondContact O-N 3.39Å; R746-K749 VanDerWaalsContact O-N 3.11Å
747	E	67.6	Low	75.5	Confident	124 Å²	124	56.8 Å²	56.8	58%	0.579	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-52.7	-34.1	164.4	-75	-170.6	-168	0	0	111.6	L688 R692 R744 L745 K749	L688-E747 HydrophobicContact CD2-CB 4.06Å; R692-E747 IonicContact CZ-OE2 2.78Å; R692-E747 IonicContact NH2-OE1 3.4Å; R692-E747 IonicContact NH2-OE2 3.04Å; R692-E747 PolarHBondContact NH2-OE2 2.79Å; R744-E747 PolarHBondContact O-N 3.47Å; L745-E747 PolarHBondContact O-N 3.05Å; E747-K749 VanDerWaalsContact C-N 3.3Å; E747-K749 PolarHBondContact O-N 2.77Å
748	V	69.6	Low	76.8	Confident	2 Å²	2	56 Å²	56	1%	0.012	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-90	13	-176.5	-167.4	0	0	0	0	112.1	L688 H691 L745 R746 D750 Q751 Y755	L688-V748 HydrophobicContact CD2-CG2 3.56Å; H691-V748 HydrophobicContact CB-CG1 4.5Å; H691-V748 HydrophobicContact CB-CG2 4.46Å; L745-V748 HydrophobicContact CD2-CG2 4.21Å; L745-V748 WeakPolarHBondContact O-CA 3.24Å; L745-V748 VanDerWaalsContact O-CB 3.29Å; L745-V748 WeakPolarHBondContact O-CB 3.1Å; L745-V748 PolarHBondContact O-N 2.82Å; R746-V748 PolarHBondContact O-N 3.29Å; V748-D750 PolarHBondContact O-N 2.52Å; V748-Q751 HydrophobicContact CG1-CB 3.91Å; V748-Q751 WeakPolarHBondContact O-CB 3.12Å; V748-Q751 PolarHBondContact O-N 3.15Å; V748-Q751 VanDerWaalsContact O-N 3.13Å; V748-Y755 HydrophobicContact CG1-CD2 4.42Å; V748-Y755 HydrophobicContact CG1-CE2 3.9Å
749	K	61.5	Low	78.4	Confident	171 Å²	171	51 Å²	51	74%	0.743	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	36.1	77.8	170.9	-66.1	-176.4	-179.7	177.9	0	114.9	R746 E747 Q751	R746-K749 PolarHBondContact O-N 3.39Å; R746-K749 VanDerWaalsContact O-N 3.11Å; E747-K749 VanDerWaalsContact C-N 3.3Å; E747-K749 PolarHBondContact O-N 2.77Å; K749-Q751 PolarHBondContact O-N 2.92Å
750	D	67.8	Low	79.9	Confident	133 Å²	133	46.9 Å²	46.9	71%	0.711	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.3	-14.3	177.3	-56.6	-43.1	0	0	0	116.9	V748 W752	V748-D750 PolarHBondContact O-N 2.52Å; D750-W752 PolarHBondContact O-N 3.02Å; D750-W752 VanDerWaalsContact O-N 3.1Å
751	Q	78.8	Confident	81.1	Confident	79 Å²	79	46.9 Å²	46.9	37%	0.369	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-70.9	1.1	175.4	-58.6	-168.2	-89.2	0	0	114.3	V748 K749 T753 E754 Y755	V748-Q751 HydrophobicContact CG1-CB 3.91Å; V748-Q751 WeakPolarHBondContact O-CB 3.12Å; V748-Q751 PolarHBondContact O-N 3.15Å; V748-Q751 VanDerWaalsContact O-N 3.13Å; K749-Q751 PolarHBondContact O-N 2.92Å; Q751-T753 PolarHBondContact O-N 3.24Å; Q751-E754 HydrophobicContact CB-CG 4.41Å; Q751-E754 WeakPolarHBondContact CB-OE1 3.49Å; Q751-E754 WeakPolarHBondContact CG-OE1 3.38Å; Q751-E754 PolarHBondContact NE2-OE1 3.13Å; Q751-E754 PolarHBondContact NE2-OE2 2.93Å; Q751-E754 VanDerWaalsContact O-CB 3.27Å; Q751-E754 WeakPolarHBondContact O-CB 3.34Å; Q751-E754 WeakPolarHBondContact O-CG 3.28Å; Q751-E754 PolarHBondContact O-N 2.98Å; Q751-Y755 HydrophobicContact CB-CE2 4.42Å; Q751-Y755 VanDerWaalsContact O-CD2 3.29Å; Q751-Y755 WeakPolarHBondContact O-CD2 3.43Å; Q751-Y755 WeakPolarHBondContact O-CE2 3.44Å
752	W	83.4	Confident	82.2	Confident	65 Å²	65	47.3 Å²	47.3	25%	0.246	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-56.5	-27.8	-178.8	65.7	-96.2	0	0	0	113.3	L742 L745 D750 E754 Y755 I756 L932	L742-W752 HydrophobicContact CD1-CD2 4.31Å; L742-W752 HydrophobicContact CD1-CE3 4.12Å; L742-W752 HydrophobicContact CD1-CH2 3.65Å; L742-W752 HydrophobicContact CD1-CZ2 3.86Å; L742-W752 HydrophobicContact CD1-CZ3 3.79Å; L742-W752 HydrophobicContact CD2-CD2 3.65Å; L742-W752 HydrophobicContact CD2-CE3 3.32Å; L742-W752 HydrophobicContact CD2-CG 4.2Å; L742-W752 HydrophobicContact CD2-CH2 4.39Å; L742-W752 HydrophobicContact CD2-CZ3 3.73Å; L742-W752 HydrophobicContact CG-CE3 4.35Å; L742-W752 HydrophobicContact CG-CZ3 4.44Å; L745-W752 HydrophobicContact CB-CB 3.94Å; L745-W752 HydrophobicContact CD1-CB 4.24Å; D750-W752 PolarHBondContact O-N 3.02Å; D750-W752 VanDerWaalsContact O-N 3.1Å; W752-E754 PolarHBondContact O-N 3.49Å; W752-Y755 PolarHBondContact O-N 2.56Å; W752-Y755 VanDerWaalsContact O-N 3.08Å; W752-I756 HydrophobicContact CE3-CG2 4.08Å; W752-I756 PolarHBondContact O-N 3.08Å; W752-I756 VanDerWaalsContact O-N 3.16Å; W752-L932 HydrophobicContact CH2-CD1 4.49Å
753	T	84.7	Confident	83.3	Confident	68 Å²	68	47.5 Å²	47.5	42%	0.417	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-64.6	-17.7	176.6	53.1	0	0	0	0	113.5	Q751 F866	Q751-T753 PolarHBondContact O-N 3.24Å; T753-F866 WeakPolarHBondContact O-CE1 3.38Å
754	E	88.9	Confident	84.2	Confident	58 Å²	58	49.6 Å²	49.6	27%	0.271	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-77	-24	173.9	-56.4	169.3	-168.1	0	0	112.3	R698 Q751 W752 F866 F867	R698-E754 WeakPolarHBondContact CD-O 3.44Å; R698-E754 PolarHBondContact NH1-O 2.89Å; Q751-E754 HydrophobicContact CB-CG 4.41Å; Q751-E754 WeakPolarHBondContact CB-OE1 3.49Å; Q751-E754 WeakPolarHBondContact CG-OE1 3.38Å; Q751-E754 PolarHBondContact NE2-OE1 3.13Å; Q751-E754 PolarHBondContact NE2-OE2 2.93Å; Q751-E754 VanDerWaalsContact O-CB 3.27Å; Q751-E754 WeakPolarHBondContact O-CB 3.34Å; Q751-E754 WeakPolarHBondContact O-CG 3.28Å; Q751-E754 PolarHBondContact O-N 2.98Å; W752-E754 PolarHBondContact O-N 3.49Å; E754-F866 VanDerWaalsContact O-CE1 3.3Å; E754-F866 WeakPolarHBondContact O-CE1 3.45Å; E754-F867 HydrophobicContact CB-CZ 4.17Å; E754-F867 HydrophobicContact CG-CZ 4.11Å
755	Y	91.1	Very high	85	Confident	22 Å²	22	48.9 Å²	48.9	9%	0.086	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.5	-32.4	-170	-58.5	-93.8	0	0	0	113.7	I687 H691 R698 V699 V748 Q751 W752	I687-Y755 HydrophobicContact CG2-CD1 3.93Å; I687-Y755 HydrophobicContact CG2-CD2 4.44Å; I687-Y755 HydrophobicContact CG2-CG 3.74Å; H691-Y755 HydrophobicContact CB-CE1 4.29Å; H691-Y755 AromaticContact ND1-CZ 3.79Å; H691-Y755 PolarHBondContact ND1-OH 3.35Å; H691-Y755 VanDerWaalsContact ND1-OH 3.08Å; R698-Y755 CarbonylContact C-O 3.47Å; R698-Y755 WeakPolarHBondContact CA-O 3.45Å; V699-Y755 PolarHBondContact N-O 2.7Å; V748-Y755 HydrophobicContact CG1-CD2 4.42Å; V748-Y755 HydrophobicContact CG1-CE2 3.9Å; Q751-Y755 HydrophobicContact CB-CE2 4.42Å; Q751-Y755 VanDerWaalsContact O-CD2 3.29Å; Q751-Y755 WeakPolarHBondContact O-CD2 3.43Å; Q751-Y755 WeakPolarHBondContact O-CE2 3.44Å; W752-Y755 PolarHBondContact O-N 2.56Å; W752-Y755 VanDerWaalsContact O-N 3.08Å
756	I	92.4	Very high	85.7	Confident	3 Å²	3	55.9 Å²	55.9	2%	0.015	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	135	-175.7	-172.2	164.1	0	0	0	113	I683 I687 V699 V701 I741 L742 L745 W752 F758	I683-I756 HydrophobicContact CG2-CD1 4.31Å; I687-I756 HydrophobicContact CD1-CB 4.17Å; I687-I756 HydrophobicContact CD1-CD1 4.4Å; V699-I756 HydrophobicContact CB-CB 4.05Å; V699-I756 HydrophobicContact CB-CD1 4.16Å; V699-I756 HydrophobicContact CB-CG1 3.87Å; V699-I756 HydrophobicContact CG1-CD1 3.74Å; V699-I756 HydrophobicContact CG1-CG1 3.84Å; V699-I756 WeakPolarHBondContact O-CA 3.41Å; V701-I756 HydrophobicContact CG2-CD1 4.37Å; I741-I756 HydrophobicContact CG2-CD1 4.08Å; L742-I756 HydrophobicContact CD2-CG2 4.07Å; L745-I756 HydrophobicContact CD1-CG2 4.06Å; W752-I756 HydrophobicContact CE3-CG2 4.08Å; W752-I756 PolarHBondContact O-N 3.08Å; W752-I756 VanDerWaalsContact O-N 3.16Å; I756-F758 HydrophobicContact CD1-CE1 4.21Å; I756-F758 HydrophobicContact CD1-CE2 3.8Å; I756-F758 HydrophobicContact CD1-CZ 3.47Å; I756-F758 VanDerWaalsContact CD1-CZ 3.47Å; I756-F758 HydrophobicContact CG1-CD2 4.41Å; I756-F758 HydrophobicContact CG1-CE2 3.84Å; I756-F758 HydrophobicContact CG1-CZ 3.98Å; I756-F758 HydrophobicContact CG2-CE2 4.45Å
757	T	93.7	Very high	86.6	Confident	5 Å²	5	48.4 Å²	48.4	3%	0.031	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	138.5	175	-171.9	0	0	0	0	111.9	V699 F700 V701 F866 N871 H929	V699-T757 PolarHBondContact O-N 3.09Å; F700-T757 HydrophobicContact CD1-CG2 3.73Å; F700-T757 HydrophobicContact CE1-CG2 4.34Å; F700-T757 HydrophobicContact CG-CG2 4.47Å; V701-T757 PolarHBondContact N-O 3.05Å; T757-F866 HydrophobicContact CG2-CE2 3.8Å; T757-F866 HydrophobicContact CG2-CZ 4.21Å; T757-N871 WeakPolarHBondContact CB-OD1 3.43Å; T757-N871 PolarHBondContact OG1-OD1 2.79Å; T757-H929 PolarHBondContact OG1-CE1 3.46Å
758	F	93.5	Very high	87.1	Confident	7 Å²	7	44.9 Å²	44.9	3%	0.031	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	125.4	179.1	-64.2	-85	0	0	0	109.7	F666 V701 M734 L742 I756 H929 F930	F666-F758 HydrophobicContact CD1-CE1 4.33Å; F666-F758 AromaticContact CE1-CE1 3.86Å; F666-F758 HydrophobicContact CE1-CE1 3.86Å; F666-F758 HydrophobicContact CE1-CZ 4.48Å; F666-F758 HydrophobicContact CZ-CE1 4.49Å; V701-F758 HydrophobicContact CB-CD1 3.55Å; V701-F758 HydrophobicContact CB-CE1 3.89Å; V701-F758 HydrophobicContact CB-CG 4.42Å; V701-F758 HydrophobicContact CG1-CD1 3.7Å; V701-F758 HydrophobicContact CG1-CE1 3.94Å; V701-F758 HydrophobicContact CG2-CD1 4.02Å; V701-F758 HydrophobicContact CG2-CE1 3.84Å; M734-F758 HydrophobicContact CE-CB 3.94Å; M734-F758 HydrophobicContact CE-CD1 3.41Å; M734-F758 VanDerWaalsContact CE-CD1 3.41Å; M734-F758 HydrophobicContact CE-CD2 4.19Å; M734-F758 HydrophobicContact CE-CE1 3.87Å; M734-F758 HydrophobicContact CE-CG 3.59Å; M734-F758 HydrophobicContact CE-CZ 4.42Å; M734-F758 HydrophobicContact CG-CD1 4.35Å; M734-F758 HydrophobicContact CG-CE1 3.83Å; M734-F758 HydrophobicContact CG-CZ 4.13Å; M734-F758 HydrophobicContact SD-CD1 4.1Å; M734-F758 HydrophobicContact SD-CE1 4.15Å; L742-F758 HydrophobicContact CD2-CE2 4.37Å; I756-F758 HydrophobicContact CD1-CE1 4.21Å; I756-F758 HydrophobicContact CD1-CE2 3.8Å; I756-F758 HydrophobicContact CD1-CZ 3.47Å; I756-F758 VanDerWaalsContact CD1-CZ 3.47Å; I756-F758 HydrophobicContact CG1-CD2 4.41Å; I756-F758 HydrophobicContact CG1-CE2 3.84Å; I756-F758 HydrophobicContact CG1-CZ 3.98Å; I756-F758 HydrophobicContact CG2-CE2 4.45Å; F758-H929 PolarHBondContact O-ND1 2.91Å; F758-F930 HydrophobicContact CB-CB 3.97Å; F758-F930 PolarHBondContact O-N 2.84Å
759	C	96.1	Very high	87.5	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	151.7	179.9	-56.7	0	0	0	0	111.3	V701 V702 I703 W870 L927 V928	V701-C759 PolarHBondContact O-N 3.02Å; V702-C759 HydrophobicContact CG2-CB 4.15Å; I703-C759 PolarHBondContact N-O 2.84Å; I703-C759 VanDerWaalsContact N-O 3.08Å; C759-W870 PolarHBondContact SG-NE1 3.45Å; C759-L927 HydrophobicContact CB-CD2 3.76Å; C759-V928 CarbonylContact C-O 3.48Å; C759-V928 VanDerWaalsContact CA-O 3.23Å; C759-V928 WeakPolarHBondContact CA-O 3.38Å; C759-V928 WeakPolarHBondContact CB-O 3.29Å
760	G	96.1	Very high	88.7	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	-177.7	160.3	0	0	0	0	0	110.6	I703 V928	I703-G760 WeakPolarHBondContact O-CA 3.35Å; G760-V928 PolarHBondContact N-O 3.49Å; G760-V928 VanDerWaalsContact O-CG2 3.29Å; G760-V928 WeakPolarHBondContact O-CG2 3.38Å; G760-V928 PolarHBondContact O-N 2.89Å; G760-V928 VanDerWaalsContact O-O 3.08Å
761	L	97.1	Very high	89.8	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	138.5	-174.8	-56	-174.8	0	0	0	112.1	R563 V702 L775 I776 V778 L846 L926 L927	R563-L761 VanDerWaalsContact CD-CD1 3.44Å; V702-L761 HydrophobicContact CG1-CD1 4.31Å; V702-L761 HydrophobicContact CG1-CD2 3.97Å; V702-L761 HydrophobicContact CG1-CG 3.9Å; L761-L775 WeakPolarHBondContact O-CA 3.48Å; L761-I776 HydrophobicContact CB-CB 3.76Å; L761-I776 HydrophobicContact CB-CD1 4.47Å; L761-I776 HydrophobicContact CB-CG2 4.39Å; L761-I776 HydrophobicContact CD1-CB 4.5Å; L761-I776 HydrophobicContact CD1-CG2 4.24Å; L761-I776 PolarHBondContact O-N 2.9Å; L761-V778 HydrophobicContact CB-CG2 4.44Å; L761-V778 HydrophobicContact CD1-CG2 3.61Å; L761-V778 HydrophobicContact CG-CG2 3.87Å; L761-L846 HydrophobicContact CD1-CD2 3.8Å; L761-L846 HydrophobicContact CD2-CD2 3.34Å; L761-L846 HydrophobicContact CG-CD2 4.24Å; L761-L926 WeakPolarHBondContact CA-O 3.43Å; L761-L926 HydrophobicContact CD2-CB 4.36Å; L761-L927 HydrophobicContact CD2-CD2 4Å
762	R	96.3	Very high	90.5	Very high	10 Å²	10	40.6 Å²	40.6	4%	0.038	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	143.6	178.3	-179.1	169.2	-75.7	-72.3	1.2	111	L705 T773 E774 Y881 C887 L888 L926 V928	L705-R762 HydrophobicContact CD1-CB 4.25Å; R762-T773 WeakPolarHBondContact CD-OG1 3.21Å; R762-T773 VanDerWaalsContact CG-OG1 3.24Å; R762-T773 WeakPolarHBondContact CG-OG1 3.47Å; R762-T773 PolarHBondContact NH1-OG1 2.71Å; R762-E774 VanDerWaalsContact NH1-C 3.34Å; R762-Y881 HydrophobicContact CB-CD2 4.27Å; R762-Y881 HydrophobicContact CB-CE2 4.02Å; R762-Y881 HydrophobicContact CG-CD1 4Å; R762-Y881 HydrophobicContact CG-CD2 4.07Å; R762-Y881 HydrophobicContact CG-CE1 3.91Å; R762-Y881 HydrophobicContact CG-CE2 3.95Å; R762-Y881 HydrophobicContact CG-CG 4.11Å; R762-Y881 PolarHBondContact O-OH 3.17Å; R762-C887 PolarHBondContact NE-SG 3.15Å; R762-L888 PolarHBondContact NH2-O 3.06Å; R762-L926 PolarHBondContact N-O 2.88Å; R762-L926 VanDerWaalsContact N-O 3.07Å; R762-V928 HydrophobicContact CB-CG1 4.2Å; R762-V928 HydrophobicContact CB-CG2 4.18Å
763	T	95.9	Very high	91	Very high	19 Å²	19	38.6 Å²	38.6	12%	0.117	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	171.7	174.9	-168.5	0	0	0	0	111.3	L479 P561 T773 E774 I776 Y881	L479-T763 HydrophobicContact CD1-CG2 4.18Å; L479-T763 HydrophobicContact CD2-CG2 3.67Å; L479-T763 HydrophobicContact CG-CG2 3.89Å; P561-T763 HydrophobicContact CG-CG2 4.15Å; T763-T773 WeakPolarHBondContact O-CA 3.27Å; T763-T773 WeakPolarHBondContact O-CB 3.45Å; T763-T773 PolarHBondContact O-OG1 2.84Å; T763-E774 PolarHBondContact N-O 3.22Å; T763-E774 VanDerWaalsContact N-O 3.09Å; T763-E774 PolarHBondContact O-N 2.84Å; T763-I776 HydrophobicContact CG2-CD1 4.12Å; T763-I776 HydrophobicContact CG2-CG1 3.91Å; T763-Y881 WeakPolarHBondContact CA-OH 3.3Å
764	H	94.6	Very high	91.5	Very high	56 Å²	56	36.4 Å²	36.4	26%	0.259	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	162.9	175.8	61	-86.6	0	0	0	111.8	V772 Y881 F885	H764-V772 CarbonylContact C-O 3.56Å; H764-V772 WeakPolarHBondContact CA-O 3.06Å; H764-V772 WeakPolarHBondContact CB-O 3.47Å; H764-Y881 HydrophobicContact CB-CE1 4.07Å; H764-Y881 AromaticContact ND1-CE1 3.63Å; H764-Y881 AromaticContact ND1-CZ 3.73Å; H764-Y881 PolarHBondContact ND1-OH 3.32Å; H764-Y881 VanDerWaalsContact ND1-OH 3.09Å; H764-F885 HydrophobicContact CB-CE2 4.05Å; H764-F885 HydrophobicContact CB-CZ 4Å
765	S	92.8	Very high	91.8	Very high	43 Å²	43	33.6 Å²	33.6	30%	0.301	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	174.1	177.2	-161.2	0	0	0	0	110.5	V772	S765-V772 PolarHBondContact N-O 2.87Å; S765-V772 WeakPolarHBondContact O-CG2 3.44Å; S765-V772 PolarHBondContact O-N 2.93Å
766	R	89.3	Confident	92.1	Very high	147 Å²	147	32.6 Å²	32.6	56%	0.555	16%	0.16	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-98.6	131.6	163	-158.7	168.1	91.9	120.2	2.2	108.1	E769 K770	R766-E769 WeakPolarHBondContact CD-O 3.39Å; R766-E769 VanDerWaalsContact CG-O 3.28Å; R766-E769 WeakPolarHBondContact CG-O 3.39Å; R766-E769 IonicContact CZ-OE1 2.7Å; R766-E769 IonicContact NH1-OE1 2.86Å; R766-E769 PolarHBondContact NH1-OE1 3.21Å; R766-E769 IonicContact NH2-OE1 2.64Å; R766-E769 PolarHBondContact NH2-OE1 3.4Å; R766-K770 CarbonylContact C-O 3.55Å; R766-K770 WeakPolarHBondContact CA-O 3.45Å
767	L	88.3	Confident	92.3	Very high	4 Å²	4	32.5 Å²	32.5	2%	0.021	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	119.7	176.5	173.1	64.4	0	0	0	107.9	A480 L482 R554 P558 E769 K770 V772	A480-L767 HydrophobicContact CB-CD1 3.79Å; L482-L767 HydrophobicContact CD1-CD1 4.31Å; L482-L767 HydrophobicContact CD2-CD1 4.31Å; L482-L767 HydrophobicContact CG-CD1 4.4Å; R554-L767 WeakPolarHBondContact O-CD1 3.47Å; P558-L767 HydrophobicContact CB-CD2 4.45Å; L767-E769 VanDerWaalsContact C-N 3.25Å; L767-E769 PolarHBondContact O-N 3.04Å; L767-K770 PolarHBondContact N-O 2.85Å; L767-K770 WeakPolarHBondContact O-CB 3.39Å; L767-K770 PolarHBondContact O-N 3.27Å; L767-V772 HydrophobicContact CB-CG1 4.13Å; L767-V772 HydrophobicContact CB-CG2 3.73Å
768	S	77.3	Confident	92.5	Very high	51 Å²	51	32.3 Å²	32.3	36%	0.357	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.5	51.5	179.8	-51.3	0	0	0	0	111.9	T555 K770	T555-S768 WeakPolarHBondContact O-CB 3.48Å; T555-S768 PolarHBondContact O-OG 3.35Å; S768-K770 PolarHBondContact O-N 2.94Å
769	E	78.8	Confident	92.6	Very high	140 Å²	140	32.2 Å²	32.2	65%	0.654	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.2	-26.3	-172.7	-52.4	-126.2	93.4	0	0	117.4	R766 L767	R766-E769 WeakPolarHBondContact CD-O 3.39Å; R766-E769 VanDerWaalsContact CG-O 3.28Å; R766-E769 WeakPolarHBondContact CG-O 3.39Å; R766-E769 IonicContact CZ-OE1 2.7Å; R766-E769 IonicContact NH1-OE1 2.86Å; R766-E769 PolarHBondContact NH1-OE1 3.21Å; R766-E769 IonicContact NH2-OE1 2.64Å; R766-E769 PolarHBondContact NH2-OE1 3.4Å; L767-E769 VanDerWaalsContact C-N 3.25Å; L767-E769 PolarHBondContact O-N 3.04Å
770	K	86.3	Confident	92.7	Very high	101 Å²	101	32.2 Å²	32.2	44%	0.439	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	143	-179.9	-53.4	174.5	-160	177.3	0	111.5	E556 R766 L767 S768	E556-K770 IonicContact OE1-NZ 3.02Å; E556-K770 PolarHBondContact OE1-NZ 2.89Å; E556-K770 IonicContact OE2-NZ 3.27Å; E556-K770 PolarHBondContact OE2-NZ 2.74Å; R766-K770 CarbonylContact C-O 3.55Å; R766-K770 WeakPolarHBondContact CA-O 3.45Å; L767-K770 PolarHBondContact N-O 2.85Å; L767-K770 WeakPolarHBondContact O-CB 3.39Å; L767-K770 PolarHBondContact O-N 3.27Å; S768-K770 PolarHBondContact O-N 2.94Å
771	L	91.1	Very high	92.8	Very high	32 Å²	32	32.2 Å²	32.2	17%	0.168	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	130.3	167.8	-69.2	173.5	0	0	0	109.7	F885 C909 A916 A917 L920	L771-F885 HydrophobicContact CB-CE1 3.98Å; L771-F885 HydrophobicContact CB-CZ 4.34Å; L771-C909 HydrophobicContact CB-CB 4.19Å; L771-A916 HydrophobicContact CD1-CB 3.61Å; L771-A917 HydrophobicContact CD1-CB 4.49Å; L771-L920 HydrophobicContact CD1-CD1 4.27Å; L771-L920 HydrophobicContact CD2-CD1 4.42Å
772	V	92.6	Very high	92.8	Very high	21 Å²	21	32.3 Å²	32.3	13%	0.127	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	149.3	-179.2	-64.2	0	0	0	0	111.7	L479 P558 H764 S765 L767	L479-V772 HydrophobicContact CD1-CG2 4.18Å; P558-V772 HydrophobicContact CB-CG2 4.33Å; P558-V772 HydrophobicContact CG-CB 4.37Å; H764-V772 CarbonylContact C-O 3.56Å; H764-V772 WeakPolarHBondContact CA-O 3.06Å; H764-V772 WeakPolarHBondContact CB-O 3.47Å; S765-V772 PolarHBondContact N-O 2.87Å; S765-V772 WeakPolarHBondContact O-CG2 3.44Å; S765-V772 PolarHBondContact O-N 2.93Å; L767-V772 HydrophobicContact CB-CG1 4.13Å; L767-V772 HydrophobicContact CB-CG2 3.73Å
773	T	94.5	Very high	92.9	Very high	24 Å²	24	31.8 Å²	31.8	15%	0.147	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	145.7	170.7	178.9	0	0	0	0	110.2	R762 T763 F885 C887	R762-T773 WeakPolarHBondContact CD-OG1 3.21Å; R762-T773 VanDerWaalsContact CG-OG1 3.24Å; R762-T773 WeakPolarHBondContact CG-OG1 3.47Å; R762-T773 PolarHBondContact NH1-OG1 2.71Å; T763-T773 WeakPolarHBondContact O-CA 3.27Å; T763-T773 WeakPolarHBondContact O-CB 3.45Å; T763-T773 PolarHBondContact O-OG1 2.84Å; T773-F885 HydrophobicContact CG2-CB 3.67Å; T773-F885 HydrophobicContact CG2-CD1 3.77Å; T773-F885 HydrophobicContact CG2-CD2 3.54Å; T773-F885 HydrophobicContact CG2-CE1 4.21Å; T773-F885 HydrophobicContact CG2-CE2 3.98Å; T773-F885 HydrophobicContact CG2-CG 3.39Å; T773-F885 HydrophobicContact CG2-CZ 4.29Å; T773-C887 HydrophobicContact CG2-CB 4.28Å
774	E	95.1	Very high	93.1	Very high	21 Å²	21	30.9 Å²	30.9	10%	0.098	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	155.1	164.5	-168.6	53.6	-73.3	0	0	110.1	L479 N534 M560 R762 T763	L479-E774 HydrophobicContact CD2-CB 3.84Å; N534-E774 PolarHBondContact ND2-OE2 2.87Å; M560-E774 HydrophobicContact CB-CG 4.11Å; M560-E774 HydrophobicContact CG-CG 3.9Å; M560-E774 HydrophobicContact SD-CG 4.39Å; R762-E774 VanDerWaalsContact NH1-C 3.34Å; T763-E774 PolarHBondContact N-O 3.22Å; T763-E774 VanDerWaalsContact N-O 3.09Å; T763-E774 PolarHBondContact O-N 2.84Å
775	L	95.2	Very high	93.2	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	144.6	169.9	67.9	92	0	0	0	110.3	I536 M560 L705 L706 L761 Y777	I536-L775 HydrophobicContact CD1-CD2 3.82Å; I536-L775 HydrophobicContact CD1-CG 4.47Å; M560-L775 HydrophobicContact CG-CD1 4.36Å; M560-L775 WeakPolarHBondContact CG-O 3.36Å; M560-L775 HydrophobicContact SD-CD1 3.57Å; M560-L775 VanDerWaalsContact SD-CD1 3.57Å; M560-L775 HydrophobicContact SD-CG 3.94Å; L705-L775 HydrophobicContact CB-CB 4.21Å; L705-L775 HydrophobicContact CB-CD2 4.16Å; L705-L775 HydrophobicContact CD1-CB 3.95Å; L706-L775 HydrophobicContact CB-CD2 3.95Å; L706-L775 HydrophobicContact CD1-CD2 3.94Å; L706-L775 HydrophobicContact CG-CD2 4.02Å; L761-L775 WeakPolarHBondContact O-CA 3.48Å; L775-Y777 HydrophobicContact CD1-CD2 4.09Å
776	I	96.8	Very high	93.4	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.125	C	C	.	.			trans	-85.2	121.1	168.8	-64.3	170.5	0	0	0	106.6	Y477 P561 R563 L761 T763 V778 L926	Y477-I776 HydrophobicContact CD1-CD1 4.37Å; Y477-I776 HydrophobicContact CD1-CG2 3.92Å; Y477-I776 HydrophobicContact CD2-CD1 3.71Å; Y477-I776 HydrophobicContact CE1-CG2 4.01Å; Y477-I776 HydrophobicContact CE2-CD1 4.35Å; Y477-I776 HydrophobicContact CG-CD1 3.7Å; Y477-I776 HydrophobicContact CG-CG1 4.27Å; Y477-I776 HydrophobicContact CG-CG2 4.33Å; P561-I776 HydrophobicContact CB-CB 4.39Å; P561-I776 HydrophobicContact CB-CG1 4Å; P561-I776 HydrophobicContact CB-CG2 4.23Å; P561-I776 HydrophobicContact CG-CG1 4.12Å; R563-I776 HydrophobicContact CB-CG2 3.76Å; L761-I776 HydrophobicContact CB-CB 3.76Å; L761-I776 HydrophobicContact CB-CD1 4.47Å; L761-I776 HydrophobicContact CB-CG2 4.39Å; L761-I776 HydrophobicContact CD1-CB 4.5Å; L761-I776 HydrophobicContact CD1-CG2 4.24Å; L761-I776 PolarHBondContact O-N 2.9Å; T763-I776 HydrophobicContact CG2-CD1 4.12Å; T763-I776 HydrophobicContact CG2-CG1 3.91Å; I776-V778 PolarHBondContact O-N 3.42Å; I776-V778 VanDerWaalsContact O-N 3.11Å; I776-L926 HydrophobicContact CD1-CB 4.26Å; I776-L926 HydrophobicContact CD1-CD1 3.77Å; I776-L926 HydrophobicContact CD1-CD2 3.83Å; I776-L926 HydrophobicContact CD1-CG 4.17Å
777	Y	97.1	Very high	93.8	Very high	2 Å²	2	19.3 Å²	19.3	1%	0.008	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	104.5	-176.4	-166.4	-106.7	0	0	0	110.4	F535 M560 P561 W562 R563 Q664 P704 G708 L775 H779	F535-Y777 HydrophobicContact CE2-CD1 4.32Å; F535-Y777 HydrophobicContact CE2-CD2 4.39Å; F535-Y777 HydrophobicContact CE2-CE1 4.21Å; F535-Y777 HydrophobicContact CE2-CE2 4.33Å; F535-Y777 HydrophobicContact CE2-CG 4.4Å; F535-Y777 AromaticContact CZ-CD1 3.67Å; F535-Y777 HydrophobicContact CZ-CD1 3.67Å; F535-Y777 HydrophobicContact CZ-CD2 4.26Å; F535-Y777 AromaticContact CZ-CE1 3.94Å; F535-Y777 HydrophobicContact CZ-CE1 3.94Å; F535-Y777 AromaticContact CZ-CG 3.84Å; F535-Y777 HydrophobicContact CZ-CG 3.84Å; M560-Y777 HydrophobicContact CE-CD2 4.07Å; M560-Y777 HydrophobicContact CE-CG 4.11Å; P561-Y777 WeakPolarHBondContact O-CB 3.26Å; P561-Y777 PolarHBondContact O-N 3.15Å; W562-Y777 AromaticContact CE3-CD1 3.97Å; W562-Y777 HydrophobicContact CE3-CD1 3.97Å; W562-Y777 HydrophobicContact CH2-CD1 4.43Å; W562-Y777 HydrophobicContact CH2-CE1 4.44Å; W562-Y777 AromaticContact CZ3-CD1 3.91Å; W562-Y777 HydrophobicContact CZ3-CD1 3.91Å; W562-Y777 HydrophobicContact CZ3-CE1 4.24Å; R563-Y777 PolarHBondContact N-O 2.86Å; Q664-Y777 HydrophobicContact CG-CE1 4.4Å; Q664-Y777 WeakPolarHBondContact CG-OH 3.25Å; Q664-Y777 PolarHBondContact NE2-OH 3.49Å; P704-Y777 HydrophobicContact CB-CD2 3.97Å; P704-Y777 HydrophobicContact CB-CE2 3.87Å; P704-Y777 HydrophobicContact CG-CE2 4.26Å; G708-Y777 PolarHBondContact N-OH 2.91Å; L775-Y777 HydrophobicContact CD1-CD2 4.09Å; Y777-H779 HydrophobicContact CD1-CB 4.03Å; Y777-H779 HydrophobicContact CE1-CB 4.07Å; Y777-H779 PolarHBondContact O-N 2.89Å; Y777-H779 VanDerWaalsContact O-N 3.11Å
778	V	97.2	Very high	94.2	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	98.2	172.8	179.4	0	0	0	0	108.1	E662 Q664 V702 P704 L761 I776	E662-V778 HydrophobicContact CG-CG1 3.63Å; Q664-V778 WeakPolarHBondContact CA-O 3.23Å; V702-V778 HydrophobicContact CG1-CG2 4.08Å; P704-V778 HydrophobicContact CB-CB 4.18Å; L761-V778 HydrophobicContact CB-CG2 4.44Å; L761-V778 HydrophobicContact CD1-CG2 3.61Å; L761-V778 HydrophobicContact CG-CG2 3.87Å; I776-V778 PolarHBondContact O-N 3.42Å; I776-V778 VanDerWaalsContact O-N 3.11Å
779	H	97.2	Very high	95.2	Very high	5 Å²	5	22 Å²	22	2%	0.023	10%	0.1	C	C	.	.			trans	-98.1	-15.2	172.5	-172.3	-103.6	0	0	0	112.9	G464 W562 R563 D564 Q664 Y777 K781	G464-H779 PolarHBondContact O-CE1 3.14Å; G464-H779 PolarHBondContact O-ND1 2.89Å; W562-H779 HydrophobicContact CD2-CB 4.21Å; W562-H779 VanDerWaalsContact CE2-CB 3.49Å; W562-H779 AromaticContact CE2-CG 3.67Å; W562-H779 AromaticContact CE2-ND1 3.88Å; W562-H779 HydrophobicContact CH2-CB 4.17Å; W562-H779 AromaticContact CH2-CD2 3.82Å; W562-H779 AromaticContact CH2-CG 3.8Å; W562-H779 HydrophobicContact CZ2-CB 3.51Å; W562-H779 AromaticContact CZ2-CD2 3.62Å; W562-H779 AromaticContact CZ2-CE1 3.82Å; W562-H779 AromaticContact CZ2-CG 3.15Å; W562-H779 AromaticContact CZ2-ND1 3.32Å; W562-H779 VanDerWaalsContact CZ2-ND1 3.32Å; W562-H779 WeakPolarHBondContact CZ2-ND1 3.32Å; W562-H779 AromaticContact NE1-CG 3.99Å; W562-H779 AromaticContact NE1-ND1 3.96Å; R563-H779 PolarHBondContact O-N 2.71Å; D564-H779 IonicContact OD2-CE1 2.96Å; D564-H779 IonicContact OD2-CG 2.74Å; D564-H779 IonicContact OD2-ND1 3.84Å; D564-H779 PolarHBondContact OD2-ND1 2.86Å; Q664-H779 VanDerWaalsContact CD-CD2 3.41Å; Q664-H779 PolarHBondContact NE2-CD2 3.46Å; Q664-H779 PolarHBondContact OE1-CD2 2.81Å; Q664-H779 PolarHBondContact OE1-NE2 3.27Å; Y777-H779 HydrophobicContact CD1-CB 4.03Å; Y777-H779 HydrophobicContact CE1-CB 4.07Å; Y777-H779 PolarHBondContact O-N 2.89Å; Y777-H779 VanDerWaalsContact O-N 3.11Å; H779-K781 PolarHBondContact CD2-NZ 2.96Å; H779-K781 PolarHBondContact CE1-NZ 2.99Å; H779-K781 PolarHBondContact NE2-NZ 3.29Å; H779-K781 VanDerWaalsContact NE2-NZ 3.13Å; H779-K781 VanDerWaalsContact O-CD 3.27Å; H779-K781 WeakPolarHBondContact O-CD 3.36Å; H779-K781 WeakPolarHBondContact O-CE 3.44Å; H779-K781 PolarHBondContact O-NZ 3.23Å
780	S	97.3	Very high	96.1	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.069	C	C	.	.			trans	-39.1	148.8	174.8	-53.2	0	0	0	0	113.8	R563 D564 L565 E662 N663 Q664	R563-S780 PolarHBondContact O-N 3.4Å; R563-S780 PolarHBondContact O-OG 3.29Å; D564-S780 WeakPolarHBondContact CA-OG 3.34Å; L565-S780 VanDerWaalsContact CD1-OG 3.3Å; L565-S780 WeakPolarHBondContact CD1-OG 3.26Å; L565-S780 PolarHBondContact N-OG 3.15Å; E662-S780 CarbonylContact O-C 3.39Å; E662-S780 VanDerWaalsContact OE1-CB 3.26Å; E662-S780 WeakPolarHBondContact OE1-CB 3.35Å; E662-S780 PolarHBondContact OE1-OG 3.2Å; N663-S780 CarbonylContact C-O 3.56Å; N663-S780 WeakPolarHBondContact CA-O 3.38Å; Q664-S780 PolarHBondContact N-O 2.98Å; Q664-S780 VanDerWaalsContact N-O 3.15Å
781	K	98	Very high	96.7	Very high	1 Å²	1	10.5 Å²	10.5	0%	0.004	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	82.5	165.6	-52.3	89.5	167.2	64.6	0	109.8	H779 G793 S794 A795 N796	H779-K781 PolarHBondContact CD2-NZ 2.96Å; H779-K781 PolarHBondContact CE1-NZ 2.99Å; H779-K781 PolarHBondContact NE2-NZ 3.29Å; H779-K781 VanDerWaalsContact NE2-NZ 3.13Å; H779-K781 VanDerWaalsContact O-CD 3.27Å; H779-K781 WeakPolarHBondContact O-CD 3.36Å; H779-K781 WeakPolarHBondContact O-CE 3.44Å; H779-K781 PolarHBondContact O-NZ 3.23Å; K781-G793 PolarHBondContact O-N 2.83Å; K781-S794 WeakPolarHBondContact CD-O 3.36Å; K781-S794 WeakPolarHBondContact CE-O 3.32Å; K781-A795 WeakPolarHBondContact CB-O 3.23Å; K781-N796 WeakPolarHBondContact CE-OD1 3.37Å; K781-N796 VanDerWaalsContact CG-OD1 3.25Å; K781-N796 WeakPolarHBondContact CG-OD1 3.49Å; K781-N796 PolarHBondContact NZ-OD1 3.02Å
782	A	97.7	Very high	97	Very high	1 Å²	1	9 Å²	9	1%	0.008	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	150.1	-171.5	0	0	0	0	0	113.6	L565 E662 I791 I792	L565-A782 HydrophobicContact CB-CB 4.17Å; L565-A782 HydrophobicContact CD2-CB 3.69Å; L565-A782 HydrophobicContact CG-CB 4.45Å; E662-A782 PolarHBondContact N-O 2.94Å; E662-A782 PolarHBondContact O-N 3.15Å; A782-I791 VanDerWaalsContact CA-O 3.25Å; A782-I791 WeakPolarHBondContact CA-O 3.3Å; A782-I792 HydrophobicContact CB-CG1 4.05Å
783	L	98.5	Very high	97.3	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	132.6	168.8	-179.6	152.7	0	0	0	108.7	Y648 T651 I652 Y660 I661 A785 Y790 I791	Y648-L783 HydrophobicContact CD1-CB 4.37Å; Y648-L783 HydrophobicContact CD1-CD1 3.67Å; Y648-L783 HydrophobicContact CE1-CB 3.73Å; Y648-L783 HydrophobicContact CE1-CD1 3.81Å; Y648-L783 HydrophobicContact CE1-CG 4.42Å; T651-L783 HydrophobicContact CG2-CD2 3.59Å; I652-L783 HydrophobicContact CD1-CD1 3.94Å; I652-L783 HydrophobicContact CG1-CD1 3.79Å; Y660-L783 CarbonylContact O-C 3.57Å; Y660-L783 WeakPolarHBondContact O-CA 2.26Å; I661-L783 HydrophobicContact CD1-CD1 4.23Å; I661-L783 HydrophobicContact CG1-CD1 4.04Å; I661-L783 HydrophobicContact CG1-CG 4.22Å; L783-A785 HydrophobicContact CD2-CB 4.36Å; L783-Y790 CarbonylContact O-C 3.59Å; L783-Y790 WeakPolarHBondContact O-CA 3.49Å; L783-Y790 WeakPolarHBondContact O-CB 3.14Å; L783-I791 PolarHBondContact N-O 3.26Å; L783-I791 PolarHBondContact O-N 3.06Å
784	I	98.5	Very high	97.5	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	3%	0.028	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	137.4	172.3	-48.2	173.7	0	0	0	107.7	I659 Y660 A835 L838 R839	I659-I784 WeakPolarHBondContact CA-O 3.27Å; Y660-I784 HydrophobicContact CD1-CD1 3.83Å; Y660-I784 HydrophobicContact CD1-CG1 4.12Å; Y660-I784 HydrophobicContact CE1-CD1 4.43Å; Y660-I784 PolarHBondContact N-O 2.83Å; Y660-I784 PolarHBondContact O-N 2.95Å; I784-A835 HydrophobicContact CG2-CB 4.4Å; I784-L838 HydrophobicContact CD1-CB 4.48Å; I784-L838 HydrophobicContact CD1-CD2 3.74Å; I784-L838 HydrophobicContact CD1-CG 3.74Å; I784-L838 HydrophobicContact CG1-CD2 4.09Å; I784-R839 HydrophobicContact CD1-CB 4.05Å; I784-R839 HydrophobicContact CD1-CG 4.5Å; I784-R839 HydrophobicContact CG2-CB 4.46Å
785	A	98.1	Very high	97.6	Very high	0 Å²	0	6 Å²	6	0%	0	2%	0.024	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	133.5	176.3	0	0	0	0	0	111.6	T651 Y658 I659 L783 D787 R788 R789	T651-A785 HydrophobicContact CG2-CB 3.74Å; Y658-A785 WeakPolarHBondContact O-CA 2.26Å; I659-A785 HydrophobicContact CG2-CB 4.04Å; L783-A785 HydrophobicContact CD2-CB 4.36Å; A785-D787 PolarHBondContact O-N 3.25Å; A785-R788 PolarHBondContact O-N 3.2Å; A785-R789 HydrophobicContact CB-CG 4.15Å; A785-R789 PolarHBondContact N-O 2.96Å; A785-R789 PolarHBondContact O-N 2.85Å
786	D	97.3	Very high	97.6	Very high	2 Å²	2	6.2 Å²	6.2	1%	0.011	3%	0.025	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.4	28.3	169.1	-47.7	-47.9	0	0	0	115.9	S655 E656 H657 Y658 R788 Y829	S655-D786 WeakPolarHBondContact CA-OD2 3.46Å; E656-D786 VanDerWaalsContact N-CG 3.33Å; E656-D786 PolarHBondContact N-OD1 2.84Å; E656-D786 VanDerWaalsContact N-OD1 3.11Å; E656-D786 PolarHBondContact N-OD2 3.28Å; H657-D786 WeakPolarHBondContact CA-OD1 3.5Å; H657-D786 PolarHBondContact N-OD1 2.97Å; Y658-D786 PolarHBondContact N-OD1 3.46Å; Y658-D786 PolarHBondContact O-N 2.9Å; D786-R788 WeakPolarHBondContact O-CG 3.46Å; D786-R788 PolarHBondContact O-N 3.1Å; D786-Y829 WeakPolarHBondContact O-CE1 3.39Å; D786-Y829 PolarHBondContact O-OH 2.76Å
787	D	97.4	Very high	97.6	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.025	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.1	25.1	-171.2	-75	-47.5	0	0	0	114.4	Y658 A785 M824 A831 G832 A835 L836 R839	Y658-D787 WeakPolarHBondContact OH-CA 3.44Å; Y658-D787 VanDerWaalsContact OH-CG 3.26Å; Y658-D787 PolarHBondContact OH-N 3.16Å; Y658-D787 PolarHBondContact OH-OD1 3Å; A785-D787 PolarHBondContact O-N 3.25Å; D787-M824 HydrophobicContact CB-CE 4.48Å; D787-A831 HydrophobicContact CB-CB 3.91Å; D787-G832 WeakPolarHBondContact O-CA 3.5Å; D787-G832 PolarHBondContact O-N 3.11Å; D787-A835 VanDerWaalsContact C-CB 3.48Å; D787-L836 HydrophobicContact CB-CB 4.34Å; D787-L836 HydrophobicContact CB-CD1 3.95Å; D787-R839 VanDerWaalsContact OD1-CB 3.31Å; D787-R839 WeakPolarHBondContact OD1-CB 3.33Å; D787-R839 WeakPolarHBondContact OD1-CG 3.47Å; D787-R839 IonicContact OD1-CZ 3.62Å; D787-R839 IonicContact OD1-NE 3.39Å; D787-R839 PolarHBondContact OD1-NE 2.79Å; D787-R839 IonicContact OD1-NH2 3.7Å; D787-R839 IonicContact OD2-CZ 2.94Å; D787-R839 IonicContact OD2-NE 2.95Å; D787-R839 PolarHBondContact OD2-NE 3.33Å; D787-R839 IonicContact OD2-NH2 2.87Å; D787-R839 PolarHBondContact OD2-NH2 2.83Å
788	R	96.8	Very high	97.3	Very high	65 Å²	65	6.5 Å²	6.5	25%	0.245	3%	0.027	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.6	-16.9	-175.7	-78.6	174.6	174.4	167.2	2.6	114.9	E656 A785 D786 D816 Y829 E830	E656-R788 IonicContact OE2-NH1 2.68Å; A785-R788 PolarHBondContact O-N 3.2Å; D786-R788 WeakPolarHBondContact O-CG 3.46Å; D786-R788 PolarHBondContact O-N 3.1Å; R788-D816 PolarHBondContact O-N 2.98Å; R788-Y829 WeakPolarHBondContact CD-OH 3.45Å; R788-Y829 VanDerWaalsContact CZ-CZ 3.45Å; R788-Y829 PolarHBondContact NE-OH 3.33Å; R788-Y829 VanDerWaalsContact NE-OH 3.16Å; R788-Y829 PolarHBondContact NH1-OH 3.39Å; R788-E830 VanDerWaalsContact CZ-O 3.3Å; R788-E830 PolarHBondContact NE-O 3.41Å; R788-E830 PolarHBondContact NH2-O 2.8Å
789	R	97.2	Very high	97.1	Very high	46 Å²	46	6.5 Å²	6.5	17%	0.174	3%	0.027	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	152.1	-178	56.1	-171.3	152	-157.6	-5	112.5	T651 N654 A785 L813 V814 E815	T651-R789 HydrophobicContact CG2-CG 4.27Å; N654-R789 PolarHBondContact O-NH2 3.48Å; A785-R789 HydrophobicContact CB-CG 4.15Å; A785-R789 PolarHBondContact N-O 2.96Å; A785-R789 PolarHBondContact O-N 2.85Å; R789-L813 HydrophobicContact CB-CD1 4.45Å; R789-V814 CarbonylContact C-O 3.56Å; R789-V814 WeakPolarHBondContact CA-O 3.36Å; R789-V814 VanDerWaalsContact CB-O 3.26Å; R789-V814 WeakPolarHBondContact CB-O 3.43Å; R789-E815 HydrophobicContact CB-CB 4.37Å; R789-E815 HydrophobicContact CB-CG 3.81Å; R789-E815 IonicContact NH1-OE1 2.71Å
790	Y	98.2	Very high	96.8	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	3%	0.034	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	150.9	174.5	63.4	-94.9	0	0	0	112.5	W340 L783 I792 V814 L834 A835 L838	W340-Y790 HydrophobicContact CB-CE2 4.49Å; L783-Y790 CarbonylContact O-C 3.59Å; L783-Y790 WeakPolarHBondContact O-CA 3.49Å; L783-Y790 WeakPolarHBondContact O-CB 3.14Å; Y790-I792 HydrophobicContact CD2-CB 4.49Å; Y790-I792 HydrophobicContact CD2-CD1 3.66Å; Y790-I792 HydrophobicContact CD2-CG1 3.82Å; Y790-I792 HydrophobicContact CE2-CD1 3.73Å; Y790-I792 HydrophobicContact CE2-CG1 4.26Å; Y790-V814 HydrophobicContact CD1-CB 4.15Å; Y790-V814 HydrophobicContact CD1-CG1 4.5Å; Y790-V814 HydrophobicContact CD2-CB 4.15Å; Y790-V814 HydrophobicContact CD2-CG2 4.25Å; Y790-V814 HydrophobicContact CE1-CB 3.73Å; Y790-V814 HydrophobicContact CE1-CG1 3.77Å; Y790-V814 HydrophobicContact CE1-CG2 4.3Å; Y790-V814 HydrophobicContact CE2-CB 3.75Å; Y790-V814 HydrophobicContact CE2-CG2 3.53Å; Y790-V814 HydrophobicContact CG-CB 4.36Å; Y790-V814 PolarHBondContact N-O 3.06Å; Y790-V814 PolarHBondContact O-N 3.04Å; Y790-L834 HydrophobicContact CE1-CB 4.06Å; Y790-A835 HydrophobicContact CD1-CB 4.19Å; Y790-L838 HydrophobicContact CD1-CD2 4.12Å; Y790-L838 HydrophobicContact CD2-CD2 4.23Å; Y790-L838 HydrophobicContact CG-CD2 3.92Å
791	I	98.6	Very high	96.7	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	3%	0.034	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	128.8	167.4	-54.6	174.1	0	0	0	107.4	A647 Y648 A782 L783 A811 V812 L813	A647-I791 HydrophobicContact CB-CD1 4.11Å; Y648-I791 HydrophobicContact CD2-CD1 3.83Å; Y648-I791 HydrophobicContact CD2-CG2 4.23Å; Y648-I791 HydrophobicContact CE2-CB 4.17Å; Y648-I791 HydrophobicContact CE2-CD1 4.17Å; Y648-I791 HydrophobicContact CE2-CG2 3.64Å; Y648-I791 HydrophobicContact CG-CD1 4.25Å; A782-I791 VanDerWaalsContact CA-O 3.25Å; A782-I791 WeakPolarHBondContact CA-O 3.3Å; L783-I791 PolarHBondContact N-O 3.26Å; L783-I791 PolarHBondContact O-N 3.06Å; I791-A811 HydrophobicContact CG2-CB 4.19Å; I791-V812 WeakPolarHBondContact CA-O 2.91Å; I791-L813 HydrophobicContact CD1-CD1 4.41Å; I791-L813 HydrophobicContact CG1-CB 4.22Å; I791-L813 HydrophobicContact CG1-CD1 3.68Å
792	I	98.7	Very high	96.6	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	3%	0.034	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	138.5	172.3	-71.5	171.9	0	0	0	108.6	W340 L565 T567 A782 Y790 A811 V812 L838	W340-I792 HydrophobicContact CB-CD1 4.21Å; L565-I792 HydrophobicContact CB-CD1 4.33Å; L565-I792 HydrophobicContact CB-CG1 4.45Å; L565-I792 HydrophobicContact CD2-CD1 4.2Å; T567-I792 HydrophobicContact CG2-CG2 4.44Å; A782-I792 HydrophobicContact CB-CG1 4.05Å; Y790-I792 HydrophobicContact CD2-CB 4.49Å; Y790-I792 HydrophobicContact CD2-CD1 3.66Å; Y790-I792 HydrophobicContact CD2-CG1 3.82Å; Y790-I792 HydrophobicContact CE2-CD1 3.73Å; Y790-I792 HydrophobicContact CE2-CG1 4.26Å; I792-A811 CarbonylContact O-C 3.13Å; I792-A811 WeakPolarHBondContact O-CA 3.36Å; I792-V812 PolarHBondContact N-O 3.41Å; I792-V812 PolarHBondContact O-N 3.24Å; I792-L838 HydrophobicContact CD1-CD2 4.07Å
793	G	98	Very high	96.3	Very high	2 Å²	2	9.6 Å²	9.6	2%	0.021	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.6	-157.9	178.7	0	0	0	0	0	113.7	G463 G464 K781 L810	G463-G793 CarbonylContact C-O 3.52Å; G463-G793 CarbonylContact O-C 3.58Å; G464-G793 PolarHBondContact N-O 2.73Å; K781-G793 PolarHBondContact O-N 2.83Å; G793-L810 CarbonylContact C-O 3.06Å; G793-L810 VanDerWaalsContact CA-O 3.23Å; G793-L810 WeakPolarHBondContact CA-O 3.21Å
794	S	97.8	Very high	95.8	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	4%	0.041	C	C	.	.	S	Bend	trans	-96.3	-16.1	176	63.3	0	0	0	0	114	H449 E450 K781 N796 E809 L810	H449-S794 PolarHBondContact CE1-O 2.76Å; H449-S794 VanDerWaalsContact CE1-O 3.25Å; H449-S794 PolarHBondContact ND1-O 3.34Å; E450-S794 WeakPolarHBondContact CA-OG 3.44Å; K781-S794 WeakPolarHBondContact CD-O 3.36Å; K781-S794 WeakPolarHBondContact CE-O 3.32Å; S794-N796 PolarHBondContact O-N 3.11Å; S794-E809 VanDerWaalsContact C-OE2 3.31Å; S794-E809 WeakPolarHBondContact CB-OE2 3.21Å; S794-E809 WeakPolarHBondContact OG-CA 3.16Å; S794-E809 PolarHBondContact OG-OE2 2.69Å; S794-L810 PolarHBondContact N-O 3Å; S794-L810 PolarHBondContact OG-N 3.05Å; S794-L810 PolarHBondContact OG-O 2.96Å
795	A	97.8	Very high	95.3	Very high	2 Å²	2	12.3 Å²	12.3	2%	0.017	6%	0.06	C	C	.	.			trans	-76.9	117.7	-171	0	0	0	0	0	114.2	I644 K781 M802 E809	I644-A795 HydrophobicContact CD1-CB 3.73Å; I644-A795 HydrophobicContact CG2-CB 3.85Å; K781-A795 WeakPolarHBondContact CB-O 3.23Å; A795-M802 HydrophobicContact CB-CE 4.26Å; A795-E809 HydrophobicContact CB-CB 3.88Å; A795-E809 HydrophobicContact CB-CG 3.96Å
796	N	96.5	Very high	94.9	Very high	4 Å²	4	12.6 Å²	12.6	2%	0.021	6%	0.061	C	C	.	.			trans	-74.3	161.4	174.8	-59.3	-57.2	0	0	0	112.2	N663 Q664 F665 K781 S794 N798 S801 M802	N663-N796 VanDerWaalsContact OD1-CA 3.24Å; N663-N796 WeakPolarHBondContact OD1-CA 3.08Å; Q664-N796 WeakPolarHBondContact CB-OD1 3.42Å; Q664-N796 PolarHBondContact OE1-OD1 2.87Å; F665-N796 HydrophobicContact CB-CB 4.35Å; F665-N796 HydrophobicContact CD2-CB 3.88Å; K781-N796 WeakPolarHBondContact CE-OD1 3.37Å; K781-N796 VanDerWaalsContact CG-OD1 3.25Å; K781-N796 WeakPolarHBondContact CG-OD1 3.49Å; K781-N796 PolarHBondContact NZ-OD1 3.02Å; S794-N796 PolarHBondContact O-N 3.11Å; N796-N798 PolarHBondContact O-N 3.12Å; N796-S801 PolarHBondContact N-OG 3.19Å; N796-S801 VanDerWaalsContact O-CB 3.32Å; N796-S801 WeakPolarHBondContact O-CB 3.22Å; N796-M802 WeakPolarHBondContact O-CE 3.43Å; N796-M802 WeakPolarHBondContact O-CG 3.28Å
797	I	95.4	Very high	94.8	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.061	C	C	.	.	B	Isolated β-bridge	trans	-80.9	80.6	167.7	-63	166.9	0	0	0	107.6	Y648 I661 N663 F665 F666 I667 I679 M802	Y648-I797 HydrophobicContact CE1-CD1 4.23Å; Y648-I797 HydrophobicContact CE1-CG1 4.27Å; I661-I797 HydrophobicContact CD1-CD1 4.44Å; I661-I797 HydrophobicContact CG2-CD1 3.58Å; N663-I797 HydrophobicContact CB-CD1 4.2Å; N663-I797 HydrophobicContact CB-CG1 4.49Å; N663-I797 PolarHBondContact OD1-N 3.43Å; F665-I797 CarbonylContact C-O 3.56Å; F665-I797 WeakPolarHBondContact O-CB 3.32Å; F666-I797 HydrophobicContact CD2-CB 4.29Å; F666-I797 HydrophobicContact CD2-CD1 3.9Å; F666-I797 HydrophobicContact CD2-CG2 4.02Å; F666-I797 HydrophobicContact CE2-CD1 4.04Å; F666-I797 HydrophobicContact CE2-CG2 4.39Å; I667-I797 PolarHBondContact N-O 2.99Å; I679-I797 HydrophobicContact CB-CG2 4.22Å; I679-I797 HydrophobicContact CD1-CG1 4.23Å; I679-I797 HydrophobicContact CD1-CG2 4.22Å; I679-I797 HydrophobicContact CG2-CD1 4.3Å; I679-I797 HydrophobicContact CG2-CG1 4.48Å; I679-I797 HydrophobicContact CG2-CG2 4.02Å; I797-M802 HydrophobicContact CG1-CE 4.3Å
798	N	92.1	Very high	94.7	Very high	8 Å²	8	12.7 Å²	12.7	4%	0.043	6%	0.061	C	C	.	.	S	Bend	trans	-157.4	162.9	173.4	70.5	8.9	0	0	0	109.5	I667 N796 R800 S801 M802 T957	I667-N798 HydrophobicContact CB-CB 4.1Å; I667-N798 HydrophobicContact CD1-CB 4.4Å; I667-N798 WeakPolarHBondContact O-CA 3.46Å; N796-N798 PolarHBondContact O-N 3.12Å; N798-R800 VanDerWaalsContact C-N 3.33Å; N798-R800 PolarHBondContact O-N 2.99Å; N798-S801 PolarHBondContact O-N 2.78Å; N798-S801 VanDerWaalsContact OD1-CB 3.26Å; N798-S801 WeakPolarHBondContact OD1-CB 3.31Å; N798-S801 PolarHBondContact OD1-N 3.03Å; N798-S801 PolarHBondContact OD1-OG 3.33Å; N798-M802 WeakPolarHBondContact O-CB 3.14Å; N798-M802 VanDerWaalsContact O-CG 3.27Å; N798-M802 WeakPolarHBondContact O-CG 3.49Å; N798-M802 PolarHBondContact O-N 3.08Å; N798-T957 VanDerWaalsContact CB-OXT 3.3Å; N798-T957 WeakPolarHBondContact CB-OXT 3.2Å
799	D	91.3	Very high	94.8	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-64	-37.4	178.7	-83.4	9.7	0	0	0	111.6	V675 Q676 N677 S801 M802 L803 T957	V675-D799 WeakPolarHBondContact CA-OD2 3.29Å; Q676-D799 WeakPolarHBondContact CB-OD2 3.32Å; Q676-D799 PolarHBondContact N-OD1 3.39Å; Q676-D799 VanDerWaalsContact N-OD1 3.17Å; Q676-D799 PolarHBondContact N-OD2 3.25Å; N677-D799 VanDerWaalsContact CB-OD1 3.25Å; N677-D799 WeakPolarHBondContact CB-OD1 3.31Å; N677-D799 PolarHBondContact N-OD1 3.38Å; N677-D799 PolarHBondContact ND2-OD1 2.92Å; D799-S801 VanDerWaalsContact C-N 3.27Å; D799-S801 PolarHBondContact O-N 2.59Å; D799-M802 PolarHBondContact O-N 3.38Å; D799-L803 HydrophobicContact CB-CD1 3.7Å; D799-L803 HydrophobicContact CB-CG 3.87Å; D799-L803 WeakPolarHBondContact O-CG 3.48Å; D799-L803 PolarHBondContact O-N 2.92Å; D799-L803 VanDerWaalsContact O-N 3.08Å; D799-T957 WeakPolarHBondContact CB-OXT 3.44Å; D799-T957 PolarHBondContact N-OXT 3.29Å
800	R	91.4	Very high	94.8	Very high	45 Å²	45	7.4 Å²	7.4	17%	0.17	4%	0.041	C	C	.	.	H	α-helix	trans	-48	-45.3	174.2	172.7	177.9	-83.7	-92.3	-1.4	113	L445 N798 R806 D807 T957	L445-R800 PolarHBondContact O-NH1 3.17Å; L445-R800 PolarHBondContact O-NH2 3.49Å; N798-R800 VanDerWaalsContact C-N 3.33Å; N798-R800 PolarHBondContact O-N 2.99Å; R800-R806 VanDerWaalsContact O-CB 3.22Å; R800-R806 WeakPolarHBondContact O-CB 3.3Å; R800-D807 VanDerWaalsContact CD-OD2 3.29Å; R800-D807 WeakPolarHBondContact CD-OD2 3.49Å; R800-D807 HydrophobicContact CG-CB 4.01Å; R800-D807 WeakPolarHBondContact CG-OD2 3.45Å; R800-D807 IonicContact CZ-OD1 2.76Å; R800-D807 IonicContact CZ-OD2 3.22Å; R800-D807 IonicContact NE-OD2 3.47Å; R800-D807 IonicContact NH1-OD1 3.58Å; R800-D807 PolarHBondContact NH1-OD1 2.74Å; R800-D807 IonicContact NH1-OD2 2.71Å; R800-D807 PolarHBondContact NH1-OD2 3.4Å; R800-D807 PolarHBondContact O-N 2.96Å; R800-T957 WeakPolarHBondContact CB-O 3.36Å; R800-T957 PolarHBondContact N-O 3.29Å
801	S	95.4	Very high	94.8	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-90	-32.6	-179.9	-66.4	0	0	0	0	113	S631 N796 N798 D799 E809	S631-S801 VanDerWaalsContact CB-O 3.26Å; S631-S801 WeakPolarHBondContact CB-O 3.36Å; S631-S801 PolarHBondContact OG-O 3.12Å; N796-S801 PolarHBondContact N-OG 3.19Å; N796-S801 VanDerWaalsContact O-CB 3.32Å; N796-S801 WeakPolarHBondContact O-CB 3.22Å; N798-S801 PolarHBondContact O-N 2.78Å; N798-S801 VanDerWaalsContact OD1-CB 3.26Å; N798-S801 WeakPolarHBondContact OD1-CB 3.31Å; N798-S801 PolarHBondContact OD1-N 3.03Å; N798-S801 PolarHBondContact OD1-OG 3.33Å; D799-S801 VanDerWaalsContact C-N 3.27Å; D799-S801 PolarHBondContact O-N 2.59Å; S801-E809 VanDerWaalsContact CB-OE1 3.25Å; S801-E809 WeakPolarHBondContact CB-OE1 3.4Å; S801-E809 PolarHBondContact OG-OE1 3.12Å
802	M	95.2	Very high	94.8	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-92.8	-27	-166.6	-70.4	-68.2	174.1	0	0	115.5	I644 L645 Y648 N677 I679 A795 N796 I797 N798 D799 G804	I644-M802 HydrophobicContact CG2-CE 4.11Å; I644-M802 HydrophobicContact CG2-SD 3.95Å; L645-M802 HydrophobicContact CB-CB 4.12Å; L645-M802 VanDerWaalsContact CB-O 3.31Å; L645-M802 WeakPolarHBondContact CB-O 3.36Å; L645-M802 HydrophobicContact CB-SD 4.01Å; L645-M802 HydrophobicContact CD1-CB 4.13Å; L645-M802 HydrophobicContact CD1-CG 4.44Å; L645-M802 HydrophobicContact CD1-SD 4.34Å; L645-M802 HydrophobicContact CD2-CB 4.28Å; L645-M802 WeakPolarHBondContact CD2-O 3.1Å; L645-M802 HydrophobicContact CG-CB 4.4Å; Y648-M802 HydrophobicContact CD1-CE 4.39Å; Y648-M802 HydrophobicContact CD2-CE 3.92Å; Y648-M802 HydrophobicContact CE1-CE 4.4Å; Y648-M802 HydrophobicContact CE2-CE 3.93Å; Y648-M802 HydrophobicContact CG-CE 4.16Å; N677-M802 HydrophobicContact CB-CB 4.06Å; I679-M802 HydrophobicContact CD1-CE 3.66Å; I679-M802 HydrophobicContact CD1-CG 3.92Å; I679-M802 HydrophobicContact CD1-SD 3.75Å; A795-M802 HydrophobicContact CB-CE 4.26Å; N796-M802 WeakPolarHBondContact O-CE 3.43Å; N796-M802 WeakPolarHBondContact O-CG 3.28Å; I797-M802 HydrophobicContact CG1-CE 4.3Å; N798-M802 WeakPolarHBondContact O-CB 3.14Å; N798-M802 VanDerWaalsContact O-CG 3.27Å; N798-M802 WeakPolarHBondContact O-CG 3.49Å; N798-M802 PolarHBondContact O-N 3.08Å; D799-M802 PolarHBondContact O-N 3.38Å; M802-G804 VanDerWaalsContact C-N 3.34Å; M802-G804 PolarHBondContact O-N 3.34Å
803	L	91.8	Very high	94.8	Very high	27 Å²	27	7.5 Å²	7.5	14%	0.141	4%	0.042	C	C	.	.	S	Bend	trans	-76.7	-15.9	-172.9	-63.2	-175.6	0	0	0	114.8	L645 Q676 N677 D799 S805	L645-L803 HydrophobicContact CD2-CD2 4.46Å; Q676-L803 HydrophobicContact CB-CD1 4.14Å; Q676-L803 HydrophobicContact CB-CD2 3.9Å; N677-L803 HydrophobicContact CB-CD2 4.46Å; D799-L803 HydrophobicContact CB-CD1 3.7Å; D799-L803 HydrophobicContact CB-CG 3.87Å; D799-L803 WeakPolarHBondContact O-CG 3.48Å; D799-L803 PolarHBondContact O-N 2.92Å; D799-L803 VanDerWaalsContact O-N 3.08Å; L803-S805 PolarHBondContact O-N 2.98Å
804	G	88.2	Confident	94.8	Very high	2 Å²	2	7.4 Å²	7.4	2%	0.021	4%	0.041	C	C	.	.	S	Bend	trans	77.9	-33.7	-173.2	0	0	0	0	0	114.3	S632 E633 E641 M802 R806	S632-G804 CarbonylContact C-O 3.51Å; E633-G804 WeakPolarHBondContact CB-O 3.49Å; E641-G804 WeakPolarHBondContact O-CA 3.49Å; M802-G804 VanDerWaalsContact C-N 3.34Å; M802-G804 PolarHBondContact O-N 3.34Å; G804-R806 VanDerWaalsContact C-N 3.25Å; G804-R806 PolarHBondContact O-N 3.3Å
805	S	87.2	Confident	94.8	Very high	56 Å²	56	8.8 Å²	8.8	39%	0.392	5%	0.047	S	C	.	.	S	Bend	trans	-81.4	9.8	178.3	56.2	0	0	0	0	115.6	W446 L803	W446-S805 PolarHBondContact NE1-O 3.08Å; L803-S805 PolarHBondContact O-N 2.98Å
806	R	90.8	Very high	94.8	Very high	6 Å²	6	8.9 Å²	8.9	2%	0.023	5%	0.048	C	C	.	.	S	Bend	trans	-121.7	-112.5	179.6	-66.2	-170.8	176.7	175.2	8.2	109.5	W446 W635 R800 G804 D954 T957	W446-R806 WeakPolarHBondContact CB-O 3.15Å; W446-R806 HydrophobicContact CD2-CB 3.79Å; W446-R806 HydrophobicContact CD2-CG 4.04Å; W446-R806 HydrophobicContact CE3-CB 3.8Å; W446-R806 HydrophobicContact CE3-CG 4.08Å; W446-R806 HydrophobicContact CG-CB 4.33Å; W446-R806 HydrophobicContact CH2-CB 4.4Å; W446-R806 HydrophobicContact CH2-CG 3.76Å; W446-R806 HydrophobicContact CZ2-CB 4.35Å; W446-R806 HydrophobicContact CZ2-CG 3.65Å; W446-R806 HydrophobicContact CZ3-CB 4.12Å; W446-R806 HydrophobicContact CZ3-CG 3.95Å; W635-R806 WeakPolarHBondContact CZ2-O 3.33Å; W635-R806 PolarHBondContact NE1-O 3.21Å; R800-R806 VanDerWaalsContact O-CB 3.22Å; R800-R806 WeakPolarHBondContact O-CB 3.3Å; G804-R806 VanDerWaalsContact C-N 3.25Å; G804-R806 PolarHBondContact O-N 3.3Å; R806-D954 IonicContact CZ-OD2 3.84Å; R806-D954 IonicContact NE-OD2 2.67Å; R806-D954 PolarHBondContact NH1-O 3.29Å; R806-D954 IonicContact NH2-OD2 3.91Å; R806-D954 PolarHBondContact NH2-OD2 3.23Å; R806-T957 PolarHBondContact NH1-O 2.96Å; R806-T957 PolarHBondContact NH1-OG1 3.19Å; R806-T957 PolarHBondContact NH2-OG1 2.89Å
807	D	94.3	Very high	94.6	Very high	4 Å²	4	12.3 Å²	12.3	2%	0.021	6%	0.064	C	C	.	.	S	Bend	trans	-76	155.9	-179.7	-72.4	11.4	0	0	0	111.7	W446 A447 H449 R800	W446-D807 WeakPolarHBondContact CA-OD1 3.27Å; W446-D807 WeakPolarHBondContact CB-OD1 3.2Å; A447-D807 VanDerWaalsContact N-CG 3.32Å; A447-D807 PolarHBondContact N-OD1 3.3Å; A447-D807 WeakPolarHBondContact O-CA 3.41Å; A447-D807 WeakPolarHBondContact O-CB 3.32Å; H449-D807 HydrophobicContact CB-CB 4.34Å; R800-D807 VanDerWaalsContact CD-OD2 3.29Å; R800-D807 WeakPolarHBondContact CD-OD2 3.49Å; R800-D807 HydrophobicContact CG-CB 4.01Å; R800-D807 WeakPolarHBondContact CG-OD2 3.45Å; R800-D807 IonicContact CZ-OD1 2.76Å; R800-D807 IonicContact CZ-OD2 3.22Å; R800-D807 IonicContact NE-OD2 3.47Å; R800-D807 IonicContact NH1-OD1 3.58Å; R800-D807 PolarHBondContact NH1-OD1 2.74Å; R800-D807 IonicContact NH1-OD2 2.71Å; R800-D807 PolarHBondContact NH1-OD2 3.4Å; R800-D807 PolarHBondContact O-N 2.96Å
808	S	96.3	Very high	94.5	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.09	C	C	.	.	B	Isolated β-bridge	trans	-88.6	131.9	166.6	57.6	0	0	0	0	111.4	A447 H448 H449 E450 S631	A447-S808 PolarHBondContact O-N 3.41Å; A447-S808 VanDerWaalsContact O-N 3.13Å; H448-S808 PolarHBondContact ND1-OG 2.86Å; H449-S808 PolarHBondContact N-O 2.91Å; E450-S808 PolarHBondContact N-O 2.86Å; E450-S808 VanDerWaalsContact N-O 3.16Å; E450-S808 PolarHBondContact OE1-OG 3.2Å; E450-S808 WeakPolarHBondContact OE2-CB 3.31Å; E450-S808 VanDerWaalsContact OE2-O 3.06Å; E450-S808 PolarHBondContact OE2-OG 2.88Å; S631-S808 VanDerWaalsContact O-CA 3.3Å; S631-S808 WeakPolarHBondContact O-CA 3.44Å
809	E	98.3	Very high	94.7	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	155.7	-173.7	-57.2	-74.8	-159.3	0	0	110.5	H449 R630 S631 I644 S794 A795 S801	H449-E809 IonicContact CE1-OE1 2.73Å; H449-E809 IonicContact CG-OE1 2.7Å; H449-E809 IonicContact CG-OE2 3.36Å; H449-E809 VanDerWaalsContact ND1-CD 3.29Å; H449-E809 IonicContact ND1-OE1 3.58Å; H449-E809 PolarHBondContact ND1-OE1 2.86Å; H449-E809 IonicContact ND1-OE2 3.85Å; H449-E809 PolarHBondContact ND1-OE2 3.38Å; R630-E809 VanDerWaalsContact CA-O 3.25Å; R630-E809 WeakPolarHBondContact CA-O 3.3Å; R630-E809 VanDerWaalsContact CB-O 3.23Å; R630-E809 WeakPolarHBondContact CB-O 3.49Å; S631-E809 PolarHBondContact N-O 2.92Å; S631-E809 PolarHBondContact O-N 3.15Å; I644-E809 HydrophobicContact CD1-CB 3.84Å; S794-E809 VanDerWaalsContact C-OE2 3.31Å; S794-E809 WeakPolarHBondContact CB-OE2 3.21Å; S794-E809 WeakPolarHBondContact OG-CA 3.16Å; S794-E809 PolarHBondContact OG-OE2 2.69Å; A795-E809 HydrophobicContact CB-CB 3.88Å; A795-E809 HydrophobicContact CB-CG 3.96Å; S801-E809 VanDerWaalsContact CB-OE1 3.25Å; S801-E809 WeakPolarHBondContact CB-OE1 3.4Å; S801-E809 PolarHBondContact OG-OE1 3.12Å
810	L	98.1	Very high	94.9	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	138.9	176.4	-166.8	72.8	0	0	0	109.6	E450 M452 V462 V577 V628 R630 G793 S794	E450-L810 HydrophobicContact CB-CB 3.75Å; M452-L810 HydrophobicContact CB-CD2 3.96Å; M452-L810 HydrophobicContact CG-CD2 4.21Å; V462-L810 HydrophobicContact CB-CD2 4.49Å; V462-L810 HydrophobicContact CG1-CB 4.27Å; V462-L810 HydrophobicContact CG1-CD2 3.86Å; V462-L810 HydrophobicContact CG1-CG 3.99Å; V462-L810 HydrophobicContact CG2-CD2 3.76Å; V577-L810 HydrophobicContact CG1-CD2 3.9Å; V577-L810 HydrophobicContact CG2-CD2 4.36Å; V628-L810 HydrophobicContact CG1-CD1 3.87Å; R630-L810 HydrophobicContact CB-CD1 4.14Å; G793-L810 CarbonylContact C-O 3.06Å; G793-L810 VanDerWaalsContact CA-O 3.23Å; G793-L810 WeakPolarHBondContact CA-O 3.21Å; S794-L810 PolarHBondContact N-O 3Å; S794-L810 PolarHBondContact OG-N 3.05Å; S794-L810 PolarHBondContact OG-O 2.96Å
811	A	98.6	Very high	95.1	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.008	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	166.8	174.4	0	0	0	0	0	111.3	L629 I644 I791 I792	L629-A811 HydrophobicContact CB-CB 4.45Å; L629-A811 PolarHBondContact N-O 3.49Å; L629-A811 PolarHBondContact O-N 3.42Å; L629-A811 VanDerWaalsContact O-O 3.07Å; I644-A811 HydrophobicContact CD1-CB 3.76Å; I644-A811 HydrophobicContact CG1-CB 3.94Å; I644-A811 HydrophobicContact CG2-CB 4.36Å; I791-A811 HydrophobicContact CG2-CB 4.19Å; I792-A811 CarbonylContact O-C 3.13Å; I792-A811 WeakPolarHBondContact O-CA 3.36Å
812	V	98.4	Very high	95.2	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	124.9	175.7	-177.1	0	0	0	0	107.9	V462 T567 V569 V626 Q627 I791 I792 V814	V462-V812 HydrophobicContact CB-CG2 4.21Å; V462-V812 HydrophobicContact CG1-CG2 4.29Å; V462-V812 HydrophobicContact CG2-CG2 4.36Å; T567-V812 HydrophobicContact CG2-CB 4.01Å; T567-V812 HydrophobicContact CG2-CG2 3.97Å; V569-V812 HydrophobicContact CG1-CG1 4.12Å; V569-V812 HydrophobicContact CG1-CG2 4.49Å; V626-V812 HydrophobicContact CG1-CG1 3.5Å; Q627-V812 WeakPolarHBondContact O-CA 2.91Å; I791-V812 WeakPolarHBondContact CA-O 2.91Å; I792-V812 PolarHBondContact N-O 3.41Å; I792-V812 PolarHBondContact O-N 3.24Å; V812-V814 HydrophobicContact CG1-CG2 3.84Å
813	L	98.6	Very high	95.1	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	127.9	161.9	168.7	66.9	0	0	0	108	F326 Q627 L629 R789 I791 E815	F326-L813 HydrophobicContact CE2-CD2 3.53Å; F326-L813 HydrophobicContact CZ-CD2 4.12Å; Q627-L813 PolarHBondContact N-O 2.87Å; Q627-L813 PolarHBondContact O-N 3.03Å; L629-L813 HydrophobicContact CD1-CB 3.85Å; R789-L813 HydrophobicContact CB-CD1 4.45Å; I791-L813 HydrophobicContact CD1-CD1 4.41Å; I791-L813 HydrophobicContact CG1-CB 4.22Å; I791-L813 HydrophobicContact CG1-CD1 3.68Å; L813-E815 HydrophobicContact CD1-CG 4.1Å; L813-E815 HydrophobicContact CD2-CG 4.35Å; L813-E815 HydrophobicContact CG-CG 4.14Å
814	V	98.3	Very high	95.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	128.6	171.9	-177.3	0	0	0	0	108.2	T338 A624 K625 V626 R789 Y790 V812 L834	T338-V814 HydrophobicContact CG2-CG1 3.92Å; A624-V814 HydrophobicContact CB-CG1 3.62Å; K625-V814 WeakPolarHBondContact O-CA 3.31Å; V626-V814 HydrophobicContact CG2-CG1 4.48Å; V626-V814 HydrophobicContact CG2-CG2 4.3Å; R789-V814 CarbonylContact C-O 3.56Å; R789-V814 WeakPolarHBondContact CA-O 3.36Å; R789-V814 VanDerWaalsContact CB-O 3.26Å; R789-V814 WeakPolarHBondContact CB-O 3.43Å; Y790-V814 HydrophobicContact CD1-CB 4.15Å; Y790-V814 HydrophobicContact CD1-CG1 4.5Å; Y790-V814 HydrophobicContact CD2-CB 4.15Å; Y790-V814 HydrophobicContact CD2-CG2 4.25Å; Y790-V814 HydrophobicContact CE1-CB 3.73Å; Y790-V814 HydrophobicContact CE1-CG1 3.77Å; Y790-V814 HydrophobicContact CE1-CG2 4.3Å; Y790-V814 HydrophobicContact CE2-CB 3.75Å; Y790-V814 HydrophobicContact CE2-CG2 3.53Å; Y790-V814 HydrophobicContact CG-CB 4.36Å; Y790-V814 PolarHBondContact N-O 3.06Å; Y790-V814 PolarHBondContact O-N 3.04Å; V812-V814 HydrophobicContact CG1-CG2 3.84Å; V814-L834 HydrophobicContact CG1-CD1 4.41Å
815	E	98.1	Very high	95.4	Very high	28 Å²	28	33 Å²	33	13%	0.131	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	118.3	174	-67.3	169.5	118	0	0	107.5	R325 K625 R789 L813 E817	R325-E815 IonicContact CZ-OE2 3.86Å; R325-E815 VanDerWaalsContact NH1-CD 3.34Å; R325-E815 IonicContact NH1-OE1 3.4Å; R325-E815 PolarHBondContact NH1-OE1 2.88Å; R325-E815 IonicContact NH1-OE2 3.77Å; R325-E815 PolarHBondContact NH1-OE2 2.64Å; R325-E815 IonicContact NH2-OE2 1.81Å; R325-E815 PolarHBondContact NH2-OE2 3.4Å; K625-E815 HydrophobicContact CB-CB 4.28Å; K625-E815 HydrophobicContact CD-CB 4.36Å; K625-E815 VanDerWaalsContact CD-OE2 3.28Å; K625-E815 WeakPolarHBondContact CD-OE2 3.41Å; K625-E815 PolarHBondContact N-O 3.42Å; K625-E815 PolarHBondContact O-N 3.47Å; R789-E815 HydrophobicContact CB-CB 4.37Å; R789-E815 HydrophobicContact CB-CG 3.81Å; R789-E815 IonicContact NH1-OE1 2.71Å; L813-E815 HydrophobicContact CD1-CG 4.1Å; L813-E815 HydrophobicContact CD2-CG 4.35Å; L813-E815 HydrophobicContact CG-CG 4.14Å; E815-E817 PolarHBondContact O-N 2.76Å
816	D	96.1	Very high	95.6	Very high	5 Å²	5	33 Å²	33	3%	0.027	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	135.2	179	-78.8	-84.7	0	0	0	110.2	R788 R819 G832 P833 L834 A835	R788-D816 PolarHBondContact O-N 2.98Å; D816-R819 VanDerWaalsContact C-NH1 3.32Å; D816-R819 VanDerWaalsContact O-CZ 3.3Å; D816-R819 PolarHBondContact O-NH1 3.46Å; D816-R819 PolarHBondContact O-NH2 3.17Å; D816-G832 VanDerWaalsContact CB-CA 3.42Å; D816-G832 VanDerWaalsContact CG-CA 3.42Å; D816-P833 VanDerWaalsContact OD1-CD 3.27Å; D816-P833 WeakPolarHBondContact OD1-CD 3.07Å; D816-L834 VanDerWaalsContact OD1-CB 3.3Å; D816-L834 WeakPolarHBondContact OD1-CB 3.43Å; D816-L834 PolarHBondContact OD1-N 3.08Å; D816-A835 VanDerWaalsContact OD2-CB 3.26Å; D816-A835 WeakPolarHBondContact OD2-CB 3.23Å; D816-A835 PolarHBondContact OD2-N 3.31Å
817	E	93	Very high	95.7	Very high	76 Å²	76	39.1 Å²	39.1	36%	0.355	22%	0.224	S	C	.	.			trans	-94.7	-40.8	175.1	-63.4	-173.7	100.9	0	0	111.2	D335 K625 E815	D335-E817 PolarHBondContact N-OE2 2.95Å; K625-E817 HydrophobicContact CB-CG 3.93Å; K625-E817 PolarHBondContact N-OE2 2.88Å; K625-E817 IonicContact NZ-OE1 3.45Å; E815-E817 PolarHBondContact O-N 2.76Å
818	E	93.7	Very high	95.7	Very high	117 Å²	117	48.2 Å²	48.2	55%	0.547	27%	0.266	S	S	.	.	S	Bend	trans	-75.6	157.2	173.8	-64.5	-176.6	-177.1	0	0	112.3	P833	E818-P833 HydrophobicContact CB-CG 4.2Å; E818-P833 VanDerWaalsContact O-CD 3.3Å; E818-P833 WeakPolarHBondContact O-CD 3.26Å
819	R	95.1	Very high	95.7	Very high	102 Å²	102	49.4 Å²	49.4	39%	0.385	27%	0.271	S	S	.	.			trans	-126.3	142.1	-180	-64.7	-66.8	167.4	-99.9	-2.4	111.3	D816 E830 A831	D816-R819 VanDerWaalsContact C-NH1 3.32Å; D816-R819 VanDerWaalsContact O-CZ 3.3Å; D816-R819 PolarHBondContact O-NH1 3.46Å; D816-R819 PolarHBondContact O-NH2 3.17Å; R819-E830 HydrophobicContact CB-CB 4.15Å; R819-E830 HydrophobicContact CG-CB 4.3Å; R819-A831 CarbonylContact C-O 3.36Å; R819-A831 VanDerWaalsContact CA-O 3.31Å; R819-A831 WeakPolarHBondContact CA-O 3.47Å
820	V	96	Very high	95.6	Very high	48 Å²	48	55.1 Å²	55.1	29%	0.291	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	144.6	176.4	-65.1	0	0	0	0	110.8	S822 A831 P833 L836	V820-S822 PolarHBondContact O-N 2.99Å; V820-A831 HydrophobicContact CG2-CB 4.36Å; V820-A831 PolarHBondContact N-O 3.21Å; V820-A831 PolarHBondContact O-N 2.98Å; V820-P833 HydrophobicContact CG1-CB 4.12Å; V820-P833 HydrophobicContact CG2-CB 4.43Å; V820-L836 HydrophobicContact CG2-CD2 3.81Å
821	P	96.7	Very high	95.5	Very high	128 Å²	128	55.1 Å²	55.1	83%	0.831	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.5	135.4	173.7	-23.9	34.5	0	0	0	112.4
822	S	95.9	Very high	95.4	Very high	17 Å²	17	55 Å²	55	12%	0.119	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	-175.6	178.3	-164	0	0	0	0	109.5	V820 Y829	V820-S822 PolarHBondContact O-N 2.99Å; S822-Y829 CarbonylContact C-O 3.58Å; S822-Y829 WeakPolarHBondContact CA-O 3.42Å; S822-Y829 PolarHBondContact N-O 3.17Å; S822-Y829 PolarHBondContact O-N 3.34Å
823	V	94.8	Very high	95.3	Very high	61 Å²	61	56 Å²	56	37%	0.37	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	141.3	177.2	-177	0	0	0	0	109.9	Q827 D859	V823-Q827 WeakPolarHBondContact CA-O 3.44Å; V823-D859 HydrophobicContact CB-CB 4.37Å; V823-D859 HydrophobicContact CG1-CB 4.14Å
824	M	94.6	Very high	95.2	Very high	7 Å²	7	56.1 Å²	56.1	3%	0.034	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	107.9	179.9	-166.6	67	62.8	0	0	110	H657 Y658 D787 Q827 Y829 P860 I861	H657-M824 HydrophobicContact CB-CG 3.81Å; H657-M824 HydrophobicContact CB-SD 3.7Å; H657-M824 VanDerWaalsContact CG-CG 3.47Å; Y658-M824 HydrophobicContact CD1-CE 4.32Å; Y658-M824 HydrophobicContact CD1-SD 4.15Å; Y658-M824 HydrophobicContact CE1-CE 4.04Å; Y658-M824 HydrophobicContact CE1-SD 4.45Å; D787-M824 HydrophobicContact CB-CE 4.48Å; M824-Q827 PolarHBondContact N-O 2.71Å; M824-Q827 PolarHBondContact O-N 3.22Å; M824-Y829 HydrophobicContact CB-CD1 4.21Å; M824-Y829 HydrophobicContact CB-CD2 3.84Å; M824-Y829 HydrophobicContact CB-CG 3.62Å; M824-Y829 HydrophobicContact CE-CD1 3.92Å; M824-Y829 HydrophobicContact CE-CE1 3.93Å; M824-Y829 HydrophobicContact CE-CG 4.47Å; M824-Y829 HydrophobicContact CG-CD2 4.26Å; M824-Y829 HydrophobicContact CG-CG 4.33Å; M824-P860 HydrophobicContact CE-CG 3.8Å; M824-P860 HydrophobicContact SD-CG 3.7Å; M824-I861 HydrophobicContact CG-CD1 3.88Å; M824-I861 HydrophobicContact CG-CG1 4.2Å; M824-I861 HydrophobicContact SD-CD1 4.07Å; M824-I861 HydrophobicContact SD-CG1 3.91Å; M824-I861 HydrophobicContact SD-CG2 3.96Å
825	G	91.4	Very high	95.1	Very high	35 Å²	35	56.1 Å²	56.1	36%	0.361	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.8	36	-175.4	0	0	0	0	0	113.5	Q827 D859	G825-Q827 PolarHBondContact O-N 3.15Å; G825-D859 WeakPolarHBondContact CA-OD2 3.49Å; G825-D859 VanDerWaalsContact N-CG 3.29Å; G825-D859 PolarHBondContact N-OD1 2.99Å; G825-D859 VanDerWaalsContact N-OD1 3.12Å; G825-D859 PolarHBondContact N-OD2 2.85Å
826	G	90.4	Very high	95.1	Very high	57 Å²	57	55.6 Å²	55.6	59%	0.588	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	70	4.6	-174.7	0	0	0	0	0	115.1	D859	G826-D859 PolarHBondContact N-OD2 2.94Å
827	Q	93.1	Very high	95.1	Very high	135 Å²	135	57.2 Å²	57.2	63%	0.631	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.6	152.6	175.7	-55.8	-55.2	-60.9	0	0	111.2	V823 M824 G825	V823-Q827 WeakPolarHBondContact CA-O 3.44Å; M824-Q827 PolarHBondContact N-O 2.71Å; M824-Q827 PolarHBondContact O-N 3.22Å; G825-Q827 PolarHBondContact O-N 3.15Å
828	E	95.1	Very high	95.3	Very high	195 Å²	195	53.6 Å²	53.6	91%	0.911	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.8	135.8	170.1	-65.1	-174.1	162.3	0	0	110.7
829	Y	96	Very high	95.5	Very high	24 Å²	24	48 Å²	48	9%	0.094	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	137.3	-174.7	-169.7	-105	0	0	0	112.7	H657 D786 R788 S822 M824 A831	H657-Y829 AromaticContact CD2-CE2 3.64Å; H657-Y829 AromaticContact CD2-CZ 3.83Å; H657-Y829 AromaticContact NE2-CE2 3.24Å; H657-Y829 WeakPolarHBondContact NE2-CE2 3.35Å; H657-Y829 AromaticContact NE2-CZ 3.91Å; D786-Y829 WeakPolarHBondContact O-CE1 3.39Å; D786-Y829 PolarHBondContact O-OH 2.76Å; R788-Y829 WeakPolarHBondContact CD-OH 3.45Å; R788-Y829 VanDerWaalsContact CZ-CZ 3.45Å; R788-Y829 PolarHBondContact NE-OH 3.33Å; R788-Y829 VanDerWaalsContact NE-OH 3.16Å; R788-Y829 PolarHBondContact NH1-OH 3.39Å; S822-Y829 CarbonylContact C-O 3.58Å; S822-Y829 WeakPolarHBondContact CA-O 3.42Å; S822-Y829 PolarHBondContact N-O 3.17Å; S822-Y829 PolarHBondContact O-N 3.34Å; M824-Y829 HydrophobicContact CB-CD1 4.21Å; M824-Y829 HydrophobicContact CB-CD2 3.84Å; M824-Y829 HydrophobicContact CB-CG 3.62Å; M824-Y829 HydrophobicContact CE-CD1 3.92Å; M824-Y829 HydrophobicContact CE-CE1 3.93Å; M824-Y829 HydrophobicContact CE-CG 4.47Å; M824-Y829 HydrophobicContact CG-CD2 4.26Å; M824-Y829 HydrophobicContact CG-CG 4.33Å; Y829-A831 HydrophobicContact CD1-CB 4.15Å; Y829-A831 HydrophobicContact CE1-CB 4.38Å; Y829-A831 PolarHBondContact O-N 3.3Å
830	E	96.1	Very high	95.5	Very high	120 Å²	120	45.1 Å²	45.1	56%	0.561	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.9	98.9	171.2	-70.9	-164.8	140.2	0	0	110.9	R788 R819	R788-E830 VanDerWaalsContact CZ-O 3.3Å; R788-E830 PolarHBondContact NE-O 3.41Å; R788-E830 PolarHBondContact NH2-O 2.8Å; R819-E830 HydrophobicContact CB-CB 4.15Å; R819-E830 HydrophobicContact CG-CB 4.3Å
831	A	95.9	Very high	95.5	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	163.5	175.5	0	0	0	0	0	111.9	D787 R819 V820 Y829 L836	D787-A831 HydrophobicContact CB-CB 3.91Å; R819-A831 CarbonylContact C-O 3.36Å; R819-A831 VanDerWaalsContact CA-O 3.31Å; R819-A831 WeakPolarHBondContact CA-O 3.47Å; V820-A831 HydrophobicContact CG2-CB 4.36Å; V820-A831 PolarHBondContact N-O 3.21Å; V820-A831 PolarHBondContact O-N 2.98Å; Y829-A831 HydrophobicContact CD1-CB 4.15Å; Y829-A831 HydrophobicContact CE1-CB 4.38Å; Y829-A831 PolarHBondContact O-N 3.3Å; A831-L836 HydrophobicContact CB-CB 4.19Å; A831-L836 HydrophobicContact CB-CD1 4Å; A831-L836 HydrophobicContact CB-CD2 4.04Å; A831-L836 HydrophobicContact CB-CG 4.31Å
832	G	96.4	Very high	95.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.219	C	C	.	.			trans	-88.1	133.4	168.5	0	0	0	0	0	111.5	D787 D816 L834 L836	D787-G832 WeakPolarHBondContact O-CA 3.5Å; D787-G832 PolarHBondContact O-N 3.11Å; D816-G832 VanDerWaalsContact CB-CA 3.42Å; D816-G832 VanDerWaalsContact CG-CA 3.42Å; G832-L834 PolarHBondContact O-N 3.36Å; G832-L836 WeakPolarHBondContact O-CB 3.13Å; G832-L836 PolarHBondContact O-N 3.48Å
833	P	95.9	Very high	95.4	Very high	21 Å²	21	37.9 Å²	37.9	14%	0.136	21%	0.213	C	C	.	.	H	α-helix	trans	-62.2	-37.4	-172.5	23.7	-33.9	0	0	0	114	D816 E818 V820 A837	D816-P833 VanDerWaalsContact OD1-CD 3.27Å; D816-P833 WeakPolarHBondContact OD1-CD 3.07Å; E818-P833 HydrophobicContact CB-CG 4.2Å; E818-P833 VanDerWaalsContact O-CD 3.3Å; E818-P833 WeakPolarHBondContact O-CD 3.26Å; V820-P833 HydrophobicContact CG1-CB 4.12Å; V820-P833 HydrophobicContact CG2-CB 4.43Å; P833-A837 WeakPolarHBondContact O-CB 3.35Å; P833-A837 PolarHBondContact O-N 2.88Å; P833-A837 VanDerWaalsContact O-N 3.14Å
834	L	96.3	Very high	95.4	Very high	3 Å²	3	38.7 Å²	38.7	2%	0.016	21%	0.21	C	C	.	.	H	α-helix	trans	-73.9	-49.5	-180	-73.4	163.8	0	0	0	112	T338 W340 Q622 A624 Y790 V814 D816 G832 A837 L838	T338-L834 HydrophobicContact CG2-CD1 3.55Å; W340-L834 PolarHBondContact NE1-O 3.49Å; W340-L834 VanDerWaalsContact NE1-O 3.08Å; Q622-L834 HydrophobicContact CB-CD1 4.13Å; Q622-L834 HydrophobicContact CB-CD2 3.9Å; Q622-L834 HydrophobicContact CB-CG 4.02Å; Q622-L834 HydrophobicContact CG-CD2 3.98Å; Q622-L834 HydrophobicContact CG-CG 4.47Å; A624-L834 HydrophobicContact CB-CD1 3.9Å; Y790-L834 HydrophobicContact CE1-CB 4.06Å; V814-L834 HydrophobicContact CG1-CD1 4.41Å; D816-L834 VanDerWaalsContact OD1-CB 3.3Å; D816-L834 WeakPolarHBondContact OD1-CB 3.43Å; D816-L834 PolarHBondContact OD1-N 3.08Å; G832-L834 PolarHBondContact O-N 3.36Å; L834-A837 PolarHBondContact O-N 2.91Å; L834-L838 WeakPolarHBondContact O-CB 3.49Å; L834-L838 PolarHBondContact O-N 3.05Å
835	A	97.1	Very high	95.2	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-63.3	-43	-180	0	0	0	0	0	111.8	I784 D787 Y790 D816 L838 R839	I784-A835 HydrophobicContact CG2-CB 4.4Å; D787-A835 VanDerWaalsContact C-CB 3.48Å; Y790-A835 HydrophobicContact CD1-CB 4.19Å; D816-A835 VanDerWaalsContact OD2-CB 3.26Å; D816-A835 WeakPolarHBondContact OD2-CB 3.23Å; D816-A835 PolarHBondContact OD2-N 3.31Å; A835-L838 PolarHBondContact O-N 2.75Å; A835-R839 VanDerWaalsContact O-CB 3.27Å; A835-R839 WeakPolarHBondContact O-CB 3.5Å; A835-R839 PolarHBondContact O-N 3.17Å
836	L	97.2	Very high	95.4	Very high	16 Å²	16	37.4 Å²	37.4	8%	0.084	20%	0.195	C	C	.	.	H	α-helix	trans	-59	-46.6	174.3	-174.4	70.7	0	0	0	111.9	D787 V820 A831 G832 R839 K840	D787-L836 HydrophobicContact CB-CB 4.34Å; D787-L836 HydrophobicContact CB-CD1 3.95Å; V820-L836 HydrophobicContact CG2-CD2 3.81Å; A831-L836 HydrophobicContact CB-CB 4.19Å; A831-L836 HydrophobicContact CB-CD1 4Å; A831-L836 HydrophobicContact CB-CD2 4.04Å; A831-L836 HydrophobicContact CB-CG 4.31Å; G832-L836 WeakPolarHBondContact O-CB 3.13Å; G832-L836 PolarHBondContact O-N 3.48Å; L836-R839 PolarHBondContact O-N 2.91Å; L836-K840 HydrophobicContact CD1-CD 4.49Å; L836-K840 HydrophobicContact CG-CD 4.34Å; L836-K840 WeakPolarHBondContact O-CB 3.43Å; L836-K840 WeakPolarHBondContact O-CG 3.49Å; L836-K840 PolarHBondContact O-N 2.94Å
837	A	96.8	Very high	95.4	Very high	39 Å²	39	34.7 Å²	34.7	32%	0.322	17%	0.167	S	C	.	.	H	α-helix	trans	-66.7	-42.3	-179.5	0	0	0	0	0	112.1	W340 P833 L834 K840 E841	W340-A837 HydrophobicContact CZ2-CB 3.81Å; P833-A837 WeakPolarHBondContact O-CB 3.35Å; P833-A837 PolarHBondContact O-N 2.88Å; P833-A837 VanDerWaalsContact O-N 3.14Å; L834-A837 PolarHBondContact O-N 2.91Å; A837-K840 PolarHBondContact O-N 2.87Å; A837-E841 WeakPolarHBondContact O-CB 3.48Å; A837-E841 PolarHBondContact O-N 3.3Å
838	L	97.4	Very high	95.2	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-59.6	-48.8	174.8	175.8	61	0	0	0	111.2	W340 V342 L565 I784 Y790 I792 L834 A835 E841 C842	W340-L838 HydrophobicContact CB-CD1 4.14Å; W340-L838 HydrophobicContact CB-CD2 4.38Å; W340-L838 HydrophobicContact CD2-CB 3.86Å; W340-L838 HydrophobicContact CD2-CD1 3.62Å; W340-L838 HydrophobicContact CD2-CG 4.27Å; W340-L838 HydrophobicContact CE3-CB 4.48Å; W340-L838 HydrophobicContact CE3-CD1 3.55Å; W340-L838 HydrophobicContact CG-CB 3.98Å; W340-L838 HydrophobicContact CG-CD1 3.88Å; W340-L838 HydrophobicContact CG-CD2 4.35Å; W340-L838 HydrophobicContact CG-CG 4.28Å; W340-L838 HydrophobicContact CZ2-CB 4.25Å; W340-L838 HydrophobicContact CZ3-CD1 4.19Å; V342-L838 HydrophobicContact CG2-CD1 3.85Å; L565-L838 HydrophobicContact CD2-CD1 3.9Å; L565-L838 HydrophobicContact CD2-CD2 4.4Å; I784-L838 HydrophobicContact CD1-CB 4.48Å; I784-L838 HydrophobicContact CD1-CD2 3.74Å; I784-L838 HydrophobicContact CD1-CG 3.74Å; I784-L838 HydrophobicContact CG1-CD2 4.09Å; Y790-L838 HydrophobicContact CD1-CD2 4.12Å; Y790-L838 HydrophobicContact CD2-CD2 4.23Å; Y790-L838 HydrophobicContact CG-CD2 3.92Å; I792-L838 HydrophobicContact CD1-CD2 4.07Å; L834-L838 WeakPolarHBondContact O-CB 3.49Å; L834-L838 PolarHBondContact O-N 3.05Å; A835-L838 PolarHBondContact O-N 2.75Å; L838-E841 PolarHBondContact O-N 3.43Å; L838-C842 PolarHBondContact O-N 2.89Å; L838-C842 PolarHBondContact O-SG 2.76Å
839	R	97.3	Very high	94.8	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-64.4	-41.9	-178.9	-170.5	-85.8	-60.4	168.4	-9.3	111.4	Y658 I784 D787 A835 L836 C842 F843 I857 D858	Y658-R839 HydrophobicContact CE2-CG 4.37Å; I784-R839 HydrophobicContact CD1-CB 4.05Å; I784-R839 HydrophobicContact CD1-CG 4.5Å; I784-R839 HydrophobicContact CG2-CB 4.46Å; D787-R839 VanDerWaalsContact OD1-CB 3.31Å; D787-R839 WeakPolarHBondContact OD1-CB 3.33Å; D787-R839 WeakPolarHBondContact OD1-CG 3.47Å; D787-R839 IonicContact OD1-CZ 3.62Å; D787-R839 IonicContact OD1-NE 3.39Å; D787-R839 PolarHBondContact OD1-NE 2.79Å; D787-R839 IonicContact OD1-NH2 3.7Å; D787-R839 IonicContact OD2-CZ 2.94Å; D787-R839 IonicContact OD2-NE 2.95Å; D787-R839 PolarHBondContact OD2-NE 3.33Å; D787-R839 IonicContact OD2-NH2 2.87Å; D787-R839 PolarHBondContact OD2-NH2 2.83Å; A835-R839 VanDerWaalsContact O-CB 3.27Å; A835-R839 WeakPolarHBondContact O-CB 3.5Å; A835-R839 PolarHBondContact O-N 3.17Å; L836-R839 PolarHBondContact O-N 2.91Å; R839-C842 PolarHBondContact O-N 2.82Å; R839-F843 HydrophobicContact CG-CD1 4.39Å; R839-F843 HydrophobicContact CG-CE1 4.15Å; R839-F843 HydrophobicContact CG-CZ 4.24Å; R839-F843 WeakPolarHBondContact O-CB 3.48Å; R839-F843 WeakPolarHBondContact O-CD1 3.2Å; R839-F843 WeakPolarHBondContact O-CG 3.16Å; R839-F843 PolarHBondContact O-N 2.75Å; R839-I857 PolarHBondContact NH1-O 3.1Å; R839-D858 PolarHBondContact NH2-O 3.45Å
840	K	95.8	Very high	94	Very high	42 Å²	42	22.3 Å²	22.3	18%	0.183	12%	0.119	C	C	.	.	H	α-helix	trans	-65.2	-38.7	173.7	-73.3	-174.6	-173.4	-172.1	0	112.5	L836 A837 F843 R844 I857 D858	L836-K840 HydrophobicContact CD1-CD 4.49Å; L836-K840 HydrophobicContact CG-CD 4.34Å; L836-K840 WeakPolarHBondContact O-CB 3.43Å; L836-K840 WeakPolarHBondContact O-CG 3.49Å; L836-K840 PolarHBondContact O-N 2.94Å; A837-K840 PolarHBondContact O-N 2.87Å; K840-F843 PolarHBondContact O-N 3.43Å; K840-R844 VanDerWaalsContact O-CB 3.26Å; K840-R844 WeakPolarHBondContact O-CB 3.4Å; K840-R844 PolarHBondContact O-N 2.75Å; K840-I857 HydrophobicContact CB-CD1 4.27Å; K840-I857 HydrophobicContact CG-CD1 4.49Å; K840-D858 VanDerWaalsContact CE-OD1 3.29Å; K840-D858 WeakPolarHBondContact CE-OD1 3.39Å; K840-D858 IonicContact NZ-OD1 3.25Å; K840-D858 PolarHBondContact NZ-OD1 2.9Å
841	E	95.1	Very high	93.3	Very high	40 Å²	40	21.9 Å²	21.9	19%	0.187	13%	0.129	C	C	.	.	H	α-helix	trans	-62.5	-47.3	175.7	-165.7	61.1	-141.3	0	0	111.5	W340 A837 L838 R844 V845	W340-E841 HydrophobicContact CH2-CB 3.82Å; W340-E841 HydrophobicContact CH2-CG 4.13Å; W340-E841 HydrophobicContact CZ3-CB 4.14Å; W340-E841 HydrophobicContact CZ3-CG 4.17Å; A837-E841 WeakPolarHBondContact O-CB 3.48Å; A837-E841 PolarHBondContact O-N 3.3Å; L838-E841 PolarHBondContact O-N 3.43Å; E841-R844 IonicContact OE1-NH1 2.68Å; E841-R844 PolarHBondContact OE1-NH1 3.01Å; E841-R844 IonicContact OE2-CZ 2.63Å; E841-R844 IonicContact OE2-NH1 2.63Å; E841-R844 PolarHBondContact OE2-NH1 3.5Å; E841-R844 IonicContact OE2-NH2 3.85Å; E841-R844 PolarHBondContact OE2-NH2 3Å; E841-V845 PolarHBondContact O-N 3.09Å
842	C	95.8	Very high	92.6	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-57.8	-53.9	173.2	-69	0	0	0	0	111.3	R563 L838 R839 R844 V845 L846	R563-C842 PolarHBondContact NH2-SG 2.97Å; L838-C842 PolarHBondContact O-N 2.89Å; L838-C842 PolarHBondContact O-SG 2.76Å; R839-C842 PolarHBondContact O-N 2.82Å; C842-R844 VanDerWaalsContact C-N 3.33Å; C842-R844 PolarHBondContact O-N 3.12Å; C842-V845 PolarHBondContact O-N 3.37Å; C842-L846 VanDerWaalsContact O-CB 3.27Å; C842-L846 WeakPolarHBondContact O-CB 3.16Å; C842-L846 WeakPolarHBondContact O-CG 3.3Å; C842-L846 PolarHBondContact O-N 3.13Å
843	F	95.7	Very high	91.9	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-62.7	-37.5	-175.7	-79.1	21.1	0	0	0	112.4	Y660 F700 R839 K840 L846 T847 I857 P860 F865 W870	Y660-F843 AromaticContact CD2-CE1 3.65Å; Y660-F843 HydrophobicContact CD2-CE1 3.65Å; Y660-F843 HydrophobicContact CD2-CZ 4.42Å; Y660-F843 HydrophobicContact CE2-CE1 4.01Å; Y660-F843 HydrophobicContact CG-CE1 4.23Å; F700-F843 HydrophobicContact CD2-CZ 4.29Å; F700-F843 HydrophobicContact CE2-CZ 4.17Å; F700-F843 HydrophobicContact CZ-CZ 4.34Å; R839-F843 HydrophobicContact CG-CD1 4.39Å; R839-F843 HydrophobicContact CG-CE1 4.15Å; R839-F843 HydrophobicContact CG-CZ 4.24Å; R839-F843 WeakPolarHBondContact O-CB 3.48Å; R839-F843 WeakPolarHBondContact O-CD1 3.2Å; R839-F843 WeakPolarHBondContact O-CG 3.16Å; R839-F843 PolarHBondContact O-N 2.75Å; K840-F843 PolarHBondContact O-N 3.43Å; F843-L846 PolarHBondContact O-N 2.78Å; F843-T847 WeakPolarHBondContact O-CB 3.14Å; F843-T847 WeakPolarHBondContact O-CG2 3.14Å; F843-T847 PolarHBondContact O-N 3.02Å; F843-T847 PolarHBondContact O-OG1 3.46Å; F843-I857 HydrophobicContact CB-CB 4.45Å; F843-P860 HydrophobicContact CE2-CB 3.76Å; F843-P860 HydrophobicContact CZ-CB 4.39Å; F843-F865 AromaticContact CD2-CE1 3.68Å; F843-F865 HydrophobicContact CD2-CE1 3.68Å; F843-F865 HydrophobicContact CD2-CE2 4.12Å; F843-F865 AromaticContact CD2-CZ 3.26Å; F843-F865 HydrophobicContact CD2-CZ 3.26Å; F843-F865 HydrophobicContact CE2-CD1 4.37Å; F843-F865 AromaticContact CE2-CE1 3.33Å; F843-F865 HydrophobicContact CE2-CE1 3.33Å; F843-F865 AromaticContact CE2-CZ 3.46Å; F843-F865 HydrophobicContact CE2-CZ 3.46Å; F843-F865 VanDerWaalsContact CE2-CZ 3.46Å; F843-F865 HydrophobicContact CG-CZ 4.1Å; F843-F865 HydrophobicContact CZ-CE1 4.19Å; F843-F865 HydrophobicContact CZ-CZ 4.44Å; F843-W870 AromaticContact CD1-CZ3 3.88Å; F843-W870 HydrophobicContact CD1-CZ3 3.88Å; F843-W870 HydrophobicContact CE1-CH2 4.33Å; F843-W870 AromaticContact CE1-CZ3 3.81Å; F843-W870 HydrophobicContact CE1-CZ3 3.81Å; F843-W870 HydrophobicContact CG-CZ3 4.35Å; F843-W870 HydrophobicContact CZ-CZ3 4.22Å
844	R	93	Very high	91.3	Very high	78 Å²	78	32.6 Å²	32.6	29%	0.294	20%	0.2	S	C	.	.	H	α-helix	trans	-63.3	-43.9	-180	-158.1	-168.1	-49.3	110.8	5.7	112.5	K840 E841 C842 G848 A849 T850 I857	K840-R844 VanDerWaalsContact O-CB 3.26Å; K840-R844 WeakPolarHBondContact O-CB 3.4Å; K840-R844 PolarHBondContact O-N 2.75Å; E841-R844 IonicContact OE1-NH1 2.68Å; E841-R844 PolarHBondContact OE1-NH1 3.01Å; E841-R844 IonicContact OE2-CZ 2.63Å; E841-R844 IonicContact OE2-NH1 2.63Å; E841-R844 PolarHBondContact OE2-NH1 3.5Å; E841-R844 IonicContact OE2-NH2 3.85Å; E841-R844 PolarHBondContact OE2-NH2 3Å; C842-R844 VanDerWaalsContact C-N 3.33Å; C842-R844 PolarHBondContact O-N 3.12Å; R844-G848 CarbonylContact O-C 3.6Å; R844-G848 PolarHBondContact O-N 2.97Å; R844-A849 HydrophobicContact CG-CB 3.91Å; R844-A849 PolarHBondContact O-N 3.5Å; R844-A849 VanDerWaalsContact O-N 3.08Å; R844-T850 PolarHBondContact O-N 3.36Å; R844-I857 HydrophobicContact CB-CD1 3.74Å; R844-I857 HydrophobicContact CG-CD1 4.1Å
845	V	92	Very high	90.8	Very high	15 Å²	15	33.5 Å²	33.5	9%	0.091	20%	0.204	C	C	.	.	H	α-helix	trans	-72.6	-40.2	178	175	0	0	0	0	111.2	R475 Y477 E841 C842 L926	R475-V845 HydrophobicContact CB-CG2 4.29Å; Y477-V845 HydrophobicContact CE2-CG1 3.94Å; E841-V845 PolarHBondContact O-N 3.09Å; C842-V845 PolarHBondContact O-N 3.37Å; V845-L926 HydrophobicContact CG1-CD1 3.7Å
846	L	93.9	Very high	90.4	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-71	-43.8	-176.5	-71.7	-179	0	0	0	113.8	Y660 L761 C842 F843 W870 G925 L926 L927	Y660-L846 HydrophobicContact CE2-CD1 4.23Å; Y660-L846 WeakPolarHBondContact OH-CD1 3.42Å; L761-L846 HydrophobicContact CD1-CD2 3.8Å; L761-L846 HydrophobicContact CD2-CD2 3.34Å; L761-L846 HydrophobicContact CG-CD2 4.24Å; C842-L846 VanDerWaalsContact O-CB 3.27Å; C842-L846 WeakPolarHBondContact O-CB 3.16Å; C842-L846 WeakPolarHBondContact O-CG 3.3Å; C842-L846 PolarHBondContact O-N 3.13Å; F843-L846 PolarHBondContact O-N 2.78Å; L846-W870 HydrophobicContact CD1-CH2 3.97Å; L846-W870 HydrophobicContact CD1-CZ3 4.46Å; L846-G925 WeakPolarHBondContact O-CA 3.34Å; L846-L926 PolarHBondContact O-N 2.78Å; L846-L927 HydrophobicContact CB-CD1 4.02Å; L846-L927 HydrophobicContact CB-CD2 4.31Å; L846-L927 HydrophobicContact CB-CG 3.93Å; L846-L927 HydrophobicContact CD2-CD2 4.43Å; L846-L927 WeakPolarHBondContact O-CG 3.45Å; L846-L927 PolarHBondContact O-N 2.77Å
847	T	92.1	Very high	90.2	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-83.3	-19.6	179.5	60.2	0	0	0	0	113.6	F843 F865 T869 W870 L927	F843-T847 WeakPolarHBondContact O-CB 3.14Å; F843-T847 WeakPolarHBondContact O-CG2 3.14Å; F843-T847 PolarHBondContact O-N 3.02Å; F843-T847 PolarHBondContact O-OG1 3.46Å; T847-F865 HydrophobicContact CG2-CE2 4.17Å; T847-F865 HydrophobicContact CG2-CZ 4.23Å; T847-T869 HydrophobicContact CG2-CG2 4.07Å; T847-W870 HydrophobicContact CG2-CE3 4.13Å; T847-L927 HydrophobicContact CG2-CD1 4.2Å
848	G	87.7	Confident	89.9	Confident	5 Å²	5	40.1 Å²	40.1	5%	0.052	23%	0.234	C	C	.	.			trans	89.3	11.3	-175.7	0	0	0	0	0	114.7	R844 T850 S851 D852 G925	R844-G848 CarbonylContact O-C 3.6Å; R844-G848 PolarHBondContact O-N 2.97Å; G848-T850 PolarHBondContact O-N 3.38Å; G848-S851 PolarHBondContact O-N 2.85Å; G848-D852 PolarHBondContact O-N 2.89Å; G848-D852 VanDerWaalsContact O-N 3.16Å; G848-G925 VanDerWaalsContact CA-CA 3.46Å
849	A	86.4	Confident	89.8	Confident	12 Å²	12	40.7 Å²	40.7	10%	0.099	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-11	176.1	0	0	0	0	0	114.1	R844 S851 D852 I855 I857	R844-A849 HydrophobicContact CG-CB 3.91Å; R844-A849 PolarHBondContact O-N 3.5Å; R844-A849 VanDerWaalsContact O-N 3.08Å; A849-S851 VanDerWaalsContact C-N 3.3Å; A849-D852 WeakPolarHBondContact CA-O 3.46Å; A849-I855 HydrophobicContact CB-CB 3.75Å; A849-I855 HydrophobicContact CB-CG2 3.93Å; A849-I857 HydrophobicContact CB-CG2 3.88Å
850	T	80.3	Confident	89.7	Confident	77 Å²	77	40.7 Å²	40.7	47%	0.472	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-33.8	167.1	-52.7	0	0	0	0	112.1	R844 G848	R844-T850 PolarHBondContact O-N 3.36Å; G848-T850 PolarHBondContact O-N 3.38Å
851	S	80.7	Confident	89.6	Confident	112 Å²	112	38.9 Å²	38.9	78%	0.783	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.8	-22.7	-178.5	-52.5	0	0	0	0	112.8	G848 A849	G848-S851 PolarHBondContact O-N 2.85Å; A849-S851 VanDerWaalsContact C-N 3.3Å
852	D	82.6	Confident	89.6	Confident	30 Å²	30	38.4 Å²	38.4	16%	0.16	23%	0.231	C	C	.	.			trans	-129.3	95.6	179.5	-175.4	-6.7	0	0	0	111.2	G848 A849 S854 I855 R924	G848-D852 PolarHBondContact O-N 2.89Å; G848-D852 VanDerWaalsContact O-N 3.16Å; A849-D852 WeakPolarHBondContact CA-O 3.46Å; D852-S854 VanDerWaalsContact CG-OG 3.28Å; D852-S854 PolarHBondContact O-N 2.83Å; D852-S854 VanDerWaalsContact O-N 3.11Å; D852-S854 VanDerWaalsContact OD1-CB 3.31Å; D852-S854 WeakPolarHBondContact OD1-CB 3.48Å; D852-S854 PolarHBondContact OD1-N 3.4Å; D852-S854 PolarHBondContact OD1-OG 2.88Å; D852-S854 PolarHBondContact OD2-OG 2.92Å; D852-I855 HydrophobicContact CB-CD1 3.98Å; D852-I855 HydrophobicContact CB-CG1 4.16Å; D852-I855 PolarHBondContact O-N 3.11Å; D852-R924 IonicContact OD2-CZ 2.81Å; D852-R924 VanDerWaalsContact OD2-CZ 3.25Å; D852-R924 IonicContact OD2-NE 2.85Å; D852-R924 IonicContact OD2-NH1 3.15Å; D852-R924 PolarHBondContact OD2-NH1 3.29Å; D852-R924 IonicContact OD2-NH2 3.67Å
853	P	81.2	Confident	89.5	Confident	121 Å²	121	42.8 Å²	42.8	79%	0.786	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-5.4	178.9	-23	35	0	0	0	115.5	I855	P853-I855 VanDerWaalsContact C-N 3.25Å
854	S	83.3	Confident	89.3	Confident	95 Å²	95	48.2 Å²	48.2	66%	0.664	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-14.9	173.6	72.1	0	0	0	0	113.1	D852 N856	D852-S854 VanDerWaalsContact CG-OG 3.28Å; D852-S854 PolarHBondContact O-N 2.83Å; D852-S854 VanDerWaalsContact O-N 3.11Å; D852-S854 VanDerWaalsContact OD1-CB 3.31Å; D852-S854 WeakPolarHBondContact OD1-CB 3.48Å; D852-S854 PolarHBondContact OD1-N 3.4Å; D852-S854 PolarHBondContact OD1-OG 2.88Å; D852-S854 PolarHBondContact OD2-OG 2.92Å; S854-N856 PolarHBondContact O-N 3.06Å; S854-N856 VanDerWaalsContact O-N 3.13Å
855	I	85.9	Confident	89.3	Confident	21 Å²	21	44.7 Å²	44.7	11%	0.108	27%	0.27	C	S	.	.	S	Bend	trans	-76.9	100.1	178.8	-58.5	178.3	0	0	0	109.4	A849 D852 P853 I857 T869	A849-I855 HydrophobicContact CB-CB 3.75Å; A849-I855 HydrophobicContact CB-CG2 3.93Å; D852-I855 HydrophobicContact CB-CD1 3.98Å; D852-I855 HydrophobicContact CB-CG1 4.16Å; D852-I855 PolarHBondContact O-N 3.11Å; P853-I855 VanDerWaalsContact C-N 3.25Å; I855-I857 HydrophobicContact CG2-CG2 3.95Å; I855-I857 PolarHBondContact O-N 3.47Å; I855-T869 HydrophobicContact CG2-CG2 3.46Å; I855-T869 VanDerWaalsContact CG2-CG2 3.46Å
856	N	88.5	Confident	89.4	Confident	101 Å²	101	44 Å²	44	54%	0.54	27%	0.265	S	S	.	.			trans	-66	121.3	170.7	-175.2	-4	0	0	0	109.9	S854 D858 F865	S854-N856 PolarHBondContact O-N 3.06Å; S854-N856 VanDerWaalsContact O-N 3.13Å; N856-D858 WeakPolarHBondContact OD1-CB 3.49Å; N856-D858 PolarHBondContact OD1-N 2.93Å; N856-F865 WeakPolarHBondContact O-CD2 3.36Å
857	I	92.2	Very high	89.4	Confident	18 Å²	18	47.1 Å²	47.1	9%	0.092	28%	0.279	C	S	.	.			trans	-116.7	12.9	176.1	66.6	170.5	0	0	0	112.5	R839 K840 F843 R844 A849 I855 F865	R839-I857 PolarHBondContact NH1-O 3.1Å; K840-I857 HydrophobicContact CB-CD1 4.27Å; K840-I857 HydrophobicContact CG-CD1 4.49Å; F843-I857 HydrophobicContact CB-CB 4.45Å; R844-I857 HydrophobicContact CB-CD1 3.74Å; R844-I857 HydrophobicContact CG-CD1 4.1Å; A849-I857 HydrophobicContact CB-CG2 3.88Å; I855-I857 HydrophobicContact CG2-CG2 3.95Å; I855-I857 PolarHBondContact O-N 3.47Å; I857-F865 HydrophobicContact CB-CE2 4.49Å; I857-F865 HydrophobicContact CG2-CE2 4.16Å
858	D	91.9	Very high	89.3	Confident	76 Å²	76	52.6 Å²	52.6	41%	0.406	31%	0.308	S	S	.	.	S	Bend	trans	-75	-48.6	-173.2	-72.7	-34.7	0	0	0	112.6	R839 K840 N856 P860	R839-D858 PolarHBondContact NH2-O 3.45Å; K840-D858 VanDerWaalsContact CE-OD1 3.29Å; K840-D858 WeakPolarHBondContact CE-OD1 3.39Å; K840-D858 IonicContact NZ-OD1 3.25Å; K840-D858 PolarHBondContact NZ-OD1 2.9Å; N856-D858 WeakPolarHBondContact OD1-CB 3.49Å; N856-D858 PolarHBondContact OD1-N 2.93Å; D858-P860 WeakPolarHBondContact O-CD 3.42Å
859	D	94.8	Very high	89.5	Confident	11 Å²	11	53.6 Å²	53.6	6%	0.059	31%	0.313	C	S	.	.			trans	-94	110.6	177.7	-177.6	-22.8	0	0	0	111.4	V823 G825 G826 I861 S862 F865	V823-D859 HydrophobicContact CB-CB 4.37Å; V823-D859 HydrophobicContact CG1-CB 4.14Å; G825-D859 WeakPolarHBondContact CA-OD2 3.49Å; G825-D859 VanDerWaalsContact N-CG 3.29Å; G825-D859 PolarHBondContact N-OD1 2.99Å; G825-D859 VanDerWaalsContact N-OD1 3.12Å; G825-D859 PolarHBondContact N-OD2 2.85Å; G826-D859 PolarHBondContact N-OD2 2.94Å; D859-I861 VanDerWaalsContact C-N 3.34Å; D859-I861 PolarHBondContact O-N 3.16Å; D859-I861 WeakPolarHBondContact OD1-CG1 3.17Å; D859-I861 PolarHBondContact OD1-N 2.97Å; D859-S862 PolarHBondContact O-OG 3.46Å; D859-S862 PolarHBondContact OD1-N 2.85Å; D859-F865 WeakPolarHBondContact O-CB 3.43Å
860	P	94	Very high	89.9	Confident	0 Å²	0	53 Å²	53	0%	0	31%	0.309	C	S	.	.	S	Bend	trans	-81.1	-5.6	-175.3	34.1	-35	0	0	0	114.5	Y658 F700 M824 F843 D858	Y658-P860 HydrophobicContact CD1-CB 4.37Å; Y658-P860 HydrophobicContact CD1-CG 3.8Å; Y658-P860 HydrophobicContact CE1-CB 4.34Å; Y658-P860 HydrophobicContact CE1-CG 3.67Å; F700-P860 WeakPolarHBondContact CE2-O 3.11Å; F700-P860 VanDerWaalsContact CZ-O 3.29Å; F700-P860 WeakPolarHBondContact CZ-O 3.14Å; M824-P860 HydrophobicContact CE-CG 3.8Å; M824-P860 HydrophobicContact SD-CG 3.7Å; F843-P860 HydrophobicContact CE2-CB 3.76Å; F843-P860 HydrophobicContact CZ-CB 4.39Å; D858-P860 WeakPolarHBondContact O-CD 3.42Å
861	I	94.9	Very high	90.6	Very high	4 Å²	4	49.8 Å²	49.8	2%	0.021	29%	0.288	C	S	.	.	S	Bend	trans	-118.2	-11.6	-176.4	68.8	165.4	0	0	0	115.2	H657 Y658 T696 R698 M824 D859	H657-I861 HydrophobicContact CB-CD1 4.25Å; H657-I861 HydrophobicContact CB-CG2 4.4Å; Y658-I861 HydrophobicContact CD1-CG2 4.12Å; Y658-I861 HydrophobicContact CG-CG2 4.21Å; T696-I861 HydrophobicContact CG2-CB 4.37Å; T696-I861 HydrophobicContact CG2-CD1 4.23Å; R698-I861 HydrophobicContact CB-CG2 4.42Å; R698-I861 HydrophobicContact CG-CB 3.94Å; R698-I861 HydrophobicContact CG-CG2 3.92Å; R698-I861 PolarHBondContact NE-O 3.42Å; R698-I861 PolarHBondContact NH2-O 3.28Å; M824-I861 HydrophobicContact CG-CD1 3.88Å; M824-I861 HydrophobicContact CG-CG1 4.2Å; M824-I861 HydrophobicContact SD-CD1 4.07Å; M824-I861 HydrophobicContact SD-CG1 3.91Å; M824-I861 HydrophobicContact SD-CG2 3.96Å; D859-I861 VanDerWaalsContact C-N 3.34Å; D859-I861 PolarHBondContact O-N 3.16Å; D859-I861 WeakPolarHBondContact OD1-CG1 3.17Å; D859-I861 PolarHBondContact OD1-N 2.97Å
862	S	94.7	Very high	91.1	Very high	31 Å²	31	48.3 Å²	48.3	22%	0.217	27%	0.269	C	S	.	.	S	Bend	trans	-50.5	146.3	173.7	64	0	0	0	0	113	D859 D864 F865 F866	D859-S862 PolarHBondContact O-OG 3.46Å; D859-S862 PolarHBondContact OD1-N 2.85Å; S862-D864 VanDerWaalsContact C-N 3.32Å; S862-D864 PolarHBondContact O-N 3.25Å; S862-F865 PolarHBondContact O-N 3.34Å; S862-F865 WeakPolarHBondContact OG-CB 2.95Å; S862-F865 PolarHBondContact OG-N 3Å; S862-F866 WeakPolarHBondContact O-CB 3.35Å; S862-F866 PolarHBondContact O-N 2.66Å
863	D	93	Very high	91.6	Very high	92 Å²	92	47.1 Å²	47.1	49%	0.492	26%	0.263	S	S	.	.	H	α-helix	trans	-63.5	-37.8	178.7	-67.7	-52.5	0	0	0	111.9	R698 F866 F867	R698-D863 IonicContact CZ-OD1 3.36Å; R698-D863 IonicContact NH1-OD1 3.46Å; R698-D863 IonicContact NH2-OD1 3.89Å; R698-D863 PolarHBondContact NH2-OD1 3.44Å; D863-F866 PolarHBondContact O-N 2.74Å; D863-F867 HydrophobicContact CB-CD2 3.97Å; D863-F867 HydrophobicContact CB-CE2 4.26Å; D863-F867 WeakPolarHBondContact O-CB 3.47Å; D863-F867 WeakPolarHBondContact O-CD2 3.34Å; D863-F867 PolarHBondContact O-N 3.45Å; D863-F867 WeakPolarHBondContact OD1-CE2 3.35Å
864	D	92.2	Very high	92.3	Very high	113 Å²	113	41.4 Å²	41.4	60%	0.604	23%	0.226	S	C	*	.	I	π-helix	trans	-62.3	-42.3	175.7	-65.6	-33.5	0	0	0	112.1	S862 L868 T869	S862-D864 VanDerWaalsContact C-N 3.32Å; S862-D864 PolarHBondContact O-N 3.25Å; D864-L868 CarbonylContact O-C 3.54Å; D864-L868 WeakPolarHBondContact O-CB 3.35Å; D864-L868 PolarHBondContact O-N 3.44Å; D864-T869 PolarHBondContact O-N 3.3Å; D864-T869 PolarHBondContact O-OG1 3.38Å
865	F	93.9	Very high	92.8	Very high	4 Å²	4	40.8 Å²	40.8	2%	0.018	21%	0.211	C	C	.	.	I	π-helix	trans	-69.8	-49	174.5	-177.8	-100.3	0	0	0	111.4	F700 F843 T847 N856 I857 D859 S862 T869 W870	F700-F865 HydrophobicContact CE1-CE1 4.13Å; F700-F865 HydrophobicContact CZ-CD1 4.31Å; F700-F865 AromaticContact CZ-CE1 3.97Å; F700-F865 HydrophobicContact CZ-CE1 3.97Å; F843-F865 AromaticContact CD2-CE1 3.68Å; F843-F865 HydrophobicContact CD2-CE1 3.68Å; F843-F865 HydrophobicContact CD2-CE2 4.12Å; F843-F865 AromaticContact CD2-CZ 3.26Å; F843-F865 HydrophobicContact CD2-CZ 3.26Å; F843-F865 HydrophobicContact CE2-CD1 4.37Å; F843-F865 AromaticContact CE2-CE1 3.33Å; F843-F865 HydrophobicContact CE2-CE1 3.33Å; F843-F865 AromaticContact CE2-CZ 3.46Å; F843-F865 HydrophobicContact CE2-CZ 3.46Å; F843-F865 VanDerWaalsContact CE2-CZ 3.46Å; F843-F865 HydrophobicContact CG-CZ 4.1Å; F843-F865 HydrophobicContact CZ-CE1 4.19Å; F843-F865 HydrophobicContact CZ-CZ 4.44Å; T847-F865 HydrophobicContact CG2-CE2 4.17Å; T847-F865 HydrophobicContact CG2-CZ 4.23Å; N856-F865 WeakPolarHBondContact O-CD2 3.36Å; I857-F865 HydrophobicContact CB-CE2 4.49Å; I857-F865 HydrophobicContact CG2-CE2 4.16Å; D859-F865 WeakPolarHBondContact O-CB 3.43Å; S862-F865 PolarHBondContact O-N 3.34Å; S862-F865 WeakPolarHBondContact OG-CB 2.95Å; S862-F865 PolarHBondContact OG-N 3Å; F865-T869 HydrophobicContact CD2-CG2 3.9Å; F865-T869 HydrophobicContact CE2-CG2 3.84Å; F865-T869 VanDerWaalsContact O-CB 3.29Å; F865-T869 WeakPolarHBondContact O-CB 3.29Å; F865-T869 PolarHBondContact O-N 2.92Å; F865-W870 HydrophobicContact CE1-CB 4.42Å; F865-W870 HydrophobicContact CE1-CE3 4.08Å; F865-W870 AromaticContact CZ-CE3 3.85Å; F865-W870 HydrophobicContact CZ-CE3 3.85Å; F865-W870 WeakPolarHBondContact O-CB 3.03Å; F865-W870 PolarHBondContact O-N 3.32Å
866	F	94.3	Very high	93.2	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.22	C	C	.	.	I	π-helix	trans	-69.2	-47.5	-172.2	-173.8	-103.7	0	0	0	112.6	R698 F700 T753 E754 T757 S862 D863 N871	R698-F866 HydrophobicContact CB-CD2 4.18Å; R698-F866 HydrophobicContact CB-CE2 4.15Å; R698-F866 HydrophobicContact CG-CD2 3.96Å; R698-F866 HydrophobicContact CG-CE2 4.32Å; R698-F866 HydrophobicContact CG-CG 4.36Å; F700-F866 HydrophobicContact CD1-CE2 4.42Å; F700-F866 AromaticContact CE1-CD2 3.63Å; F700-F866 HydrophobicContact CE1-CD2 3.63Å; F700-F866 AromaticContact CE1-CE2 3.92Å; F700-F866 HydrophobicContact CE1-CE2 3.92Å; F700-F866 AromaticContact CZ-CD2 3.71Å; F700-F866 HydrophobicContact CZ-CD2 3.71Å; F700-F866 HydrophobicContact CZ-CE2 4.21Å; T753-F866 WeakPolarHBondContact O-CE1 3.38Å; E754-F866 VanDerWaalsContact O-CE1 3.3Å; E754-F866 WeakPolarHBondContact O-CE1 3.45Å; T757-F866 HydrophobicContact CG2-CE2 3.8Å; T757-F866 HydrophobicContact CG2-CZ 4.21Å; S862-F866 WeakPolarHBondContact O-CB 3.35Å; S862-F866 PolarHBondContact O-N 2.66Å; D863-F866 PolarHBondContact O-N 2.74Å; F866-N871 WeakPolarHBondContact CE1-ND2 3.36Å; F866-N871 WeakPolarHBondContact O-CB 3.36Å; F866-N871 VanDerWaalsContact O-CG 3.32Å; F866-N871 PolarHBondContact O-N 2.73Å; F866-N871 VanDerWaalsContact O-N 3.14Å; F866-N871 PolarHBondContact O-ND2 3.35Å
867	F	92.7	Very high	93.5	Very high	66 Å²	66	38.8 Å²	38.8	29%	0.289	19%	0.194	S	C	.	.	I	π-helix	trans	-85.5	-60.6	-179.4	-60.6	-65.5	0	0	0	112	E754 D863 E872	E754-F867 HydrophobicContact CB-CZ 4.17Å; E754-F867 HydrophobicContact CG-CZ 4.11Å; D863-F867 HydrophobicContact CB-CD2 3.97Å; D863-F867 HydrophobicContact CB-CE2 4.26Å; D863-F867 WeakPolarHBondContact O-CB 3.47Å; D863-F867 WeakPolarHBondContact O-CD2 3.34Å; D863-F867 PolarHBondContact O-N 3.45Å; D863-F867 WeakPolarHBondContact OD1-CE2 3.35Å; F867-E872 PolarHBondContact O-N 3.08Å
868	L	90.4	Very high	93.6	Very high	115 Å²	115	39.3 Å²	39.3	60%	0.602	20%	0.202	S	C	*	.	I	π-helix	trans	-78.3	-28.8	-167.5	-51.4	-179.9	0	0	0	113.5	D864	D864-L868 CarbonylContact O-C 3.54Å; D864-L868 WeakPolarHBondContact O-CB 3.35Å; D864-L868 PolarHBondContact O-N 3.44Å
869	T	92.3	Very high	93.7	Very high	27 Å²	27	41.3 Å²	41.3	17%	0.166	21%	0.211	C	C	.	.	I	π-helix	trans	-91.6	-64.4	176	-58.9	0	0	0	0	111.9	T847 I855 D864 F865 T873	T847-T869 HydrophobicContact CG2-CG2 4.07Å; I855-T869 HydrophobicContact CG2-CG2 3.46Å; I855-T869 VanDerWaalsContact CG2-CG2 3.46Å; D864-T869 PolarHBondContact O-N 3.3Å; D864-T869 PolarHBondContact O-OG1 3.38Å; F865-T869 HydrophobicContact CD2-CG2 3.9Å; F865-T869 HydrophobicContact CE2-CG2 3.84Å; F865-T869 VanDerWaalsContact O-CB 3.29Å; F865-T869 WeakPolarHBondContact O-CB 3.29Å; F865-T869 PolarHBondContact O-N 2.92Å; T869-T873 WeakPolarHBondContact O-CB 3.42Å; T869-T873 PolarHBondContact O-N 3.25Å; T869-T873 PolarHBondContact O-OG1 2.79Å
870	W	94.9	Very high	93.7	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.211	C	C	.	.	I	π-helix	trans	-71.3	-61.3	-170.9	-175.4	-77.4	0	0	0	112.1	Y660 F700 V702 C759 F843 L846 T847 F865 T873 A874 L927	Y660-W870 HydrophobicContact CE2-CH2 4.04Å; F700-W870 HydrophobicContact CB-CZ2 4.44Å; F700-W870 AromaticContact CD1-CD2 3.74Å; F700-W870 HydrophobicContact CD1-CD2 3.74Å; F700-W870 AromaticContact CD1-CE2 3.62Å; F700-W870 HydrophobicContact CD1-CE3 4.11Å; F700-W870 HydrophobicContact CD1-CG 4.19Å; F700-W870 HydrophobicContact CD1-CH2 4.28Å; F700-W870 AromaticContact CD1-CZ2 3.91Å; F700-W870 HydrophobicContact CD1-CZ2 3.91Å; F700-W870 HydrophobicContact CD1-CZ3 4.36Å; F700-W870 AromaticContact CD1-NE1 3.96Å; F700-W870 HydrophobicContact CE1-CB 4.44Å; F700-W870 AromaticContact CE1-CD2 3.77Å; F700-W870 HydrophobicContact CE1-CD2 3.77Å; F700-W870 HydrophobicContact CE1-CE3 4.06Å; F700-W870 AromaticContact CE1-CG 3.93Å; F700-W870 HydrophobicContact CE1-CG 3.93Å; V702-W870 HydrophobicContact CG2-CH2 4.26Å; V702-W870 HydrophobicContact CG2-CZ2 3.91Å; C759-W870 PolarHBondContact SG-NE1 3.45Å; F843-W870 AromaticContact CD1-CZ3 3.88Å; F843-W870 HydrophobicContact CD1-CZ3 3.88Å; F843-W870 HydrophobicContact CE1-CH2 4.33Å; F843-W870 AromaticContact CE1-CZ3 3.81Å; F843-W870 HydrophobicContact CE1-CZ3 3.81Å; F843-W870 HydrophobicContact CG-CZ3 4.35Å; F843-W870 HydrophobicContact CZ-CZ3 4.22Å; L846-W870 HydrophobicContact CD1-CH2 3.97Å; L846-W870 HydrophobicContact CD1-CZ3 4.46Å; T847-W870 HydrophobicContact CG2-CE3 4.13Å; F865-W870 HydrophobicContact CE1-CB 4.42Å; F865-W870 HydrophobicContact CE1-CE3 4.08Å; F865-W870 AromaticContact CZ-CE3 3.85Å; F865-W870 HydrophobicContact CZ-CE3 3.85Å; F865-W870 WeakPolarHBondContact O-CB 3.03Å; F865-W870 PolarHBondContact O-N 3.32Å; W870-T873 PolarHBondContact O-N 3.1Å; W870-A874 WeakPolarHBondContact O-CB 3.5Å; W870-A874 PolarHBondContact O-N 3.49Å; W870-L927 HydrophobicContact CD2-CD1 3.7Å; W870-L927 HydrophobicContact CE3-CD1 3.74Å; W870-L927 HydrophobicContact CG-CD1 4.37Å; W870-L927 HydrophobicContact CH2-CD1 3.9Å; W870-L927 HydrophobicContact CH2-CD2 3.83Å; W870-L927 HydrophobicContact CH2-CG 4.49Å; W870-L927 HydrophobicContact CZ2-CD1 3.87Å; W870-L927 HydrophobicContact CZ2-CD2 3.5Å; W870-L927 HydrophobicContact CZ2-CG 4.36Å; W870-L927 HydrophobicContact CZ3-CD1 3.84Å
871	N	93.8	Very high	93.8	Very high	9 Å²	9	41.5 Å²	41.5	5%	0.048	21%	0.212	C	C	.	.	I	π-helix	trans	-68.1	-45.2	-173.9	-73.7	-46.5	0	0	0	112.1	T757 F866 T873 A874 K875 H929	T757-N871 WeakPolarHBondContact CB-OD1 3.43Å; T757-N871 PolarHBondContact OG1-OD1 2.79Å; F866-N871 WeakPolarHBondContact CE1-ND2 3.36Å; F866-N871 WeakPolarHBondContact O-CB 3.36Å; F866-N871 VanDerWaalsContact O-CG 3.32Å; F866-N871 PolarHBondContact O-N 2.73Å; F866-N871 VanDerWaalsContact O-N 3.14Å; F866-N871 PolarHBondContact O-ND2 3.35Å; N871-T873 VanDerWaalsContact C-N 3.33Å; N871-T873 PolarHBondContact O-N 2.62Å; N871-A874 PolarHBondContact O-N 2.9Å; N871-K875 VanDerWaalsContact O-CG 3.32Å; N871-K875 WeakPolarHBondContact O-CG 3.38Å; N871-K875 PolarHBondContact O-N 2.65Å; N871-H929 PolarHBondContact OD1-CE1 2.99Å
872	E	92.6	Very high	93.6	Very high	80 Å²	80	42.9 Å²	42.9	37%	0.374	22%	0.219	S	C	.	.	H	α-helix	trans	-64.2	-34	176.6	-70.6	-48.4	128.9	0	0	113.4	F867 K875 R876	F867-E872 PolarHBondContact O-N 3.08Å; E872-K875 PolarHBondContact O-N 3.32Å; E872-K875 WeakPolarHBondContact OE1-CD 3.46Å; E872-K875 WeakPolarHBondContact OE1-CE 3.4Å; E872-K875 IonicContact OE1-NZ 3.19Å; E872-K875 PolarHBondContact OE1-NZ 2.91Å; E872-R876 VanDerWaalsContact O-CB 3.24Å; E872-R876 WeakPolarHBondContact O-CB 3.38Å; E872-R876 PolarHBondContact O-N 3.25Å
873	T	93	Very high	93.4	Very high	6 Å²	6	46 Å²	46	4%	0.037	23%	0.229	C	C	.	.	H	α-helix	trans	-65.8	-45.4	172.4	-65	0	0	0	0	111.2	T869 W870 N871 K875 R876 N877 R924	T869-T873 WeakPolarHBondContact O-CB 3.42Å; T869-T873 PolarHBondContact O-N 3.25Å; T869-T873 PolarHBondContact O-OG1 2.79Å; W870-T873 PolarHBondContact O-N 3.1Å; N871-T873 VanDerWaalsContact C-N 3.33Å; N871-T873 PolarHBondContact O-N 2.62Å; T873-K875 VanDerWaalsContact C-N 3.32Å; T873-K875 PolarHBondContact O-N 2.68Å; T873-R876 PolarHBondContact O-N 3.07Å; T873-R876 PolarHBondContact OG1-NH2 2.78Å; T873-R876 VanDerWaalsContact OG1-NH2 3.15Å; T873-N877 WeakPolarHBondContact CG2-ND2 3.3Å; T873-N877 VanDerWaalsContact O-CB 3.27Å; T873-N877 WeakPolarHBondContact O-CB 3.41Å; T873-N877 PolarHBondContact O-N 2.82Å; T873-N877 PolarHBondContact O-ND2 3.2Å; T873-R924 WeakPolarHBondContact CG2-O 3.42Å
874	A	94.8	Very high	93.4	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-61.8	-34.7	175	0	0	0	0	0	113.5	W870 N871 A878 L927 H929	W870-A874 WeakPolarHBondContact O-CB 3.5Å; W870-A874 PolarHBondContact O-N 3.49Å; N871-A874 PolarHBondContact O-N 2.9Å; A874-A878 VanDerWaalsContact O-CB 3.28Å; A874-A878 WeakPolarHBondContact O-CB 3.32Å; A874-A878 PolarHBondContact O-N 3.37Å; A874-L927 HydrophobicContact CB-CB 4.29Å; A874-H929 HydrophobicContact CB-CB 4.48Å; A874-H929 PolarHBondContact O-N 3.46Å
875	K	93.9	Very high	93.4	Very high	83 Å²	83	36.7 Å²	36.7	36%	0.361	18%	0.179	S	C	.	.	H	α-helix	trans	-69.3	-56.9	173	-68.9	173	-162.2	168.7	0	111.4	N871 E872 T873 N877 A878 I879 H929	N871-K875 VanDerWaalsContact O-CG 3.32Å; N871-K875 WeakPolarHBondContact O-CG 3.38Å; N871-K875 PolarHBondContact O-N 2.65Å; E872-K875 PolarHBondContact O-N 3.32Å; E872-K875 WeakPolarHBondContact OE1-CD 3.46Å; E872-K875 WeakPolarHBondContact OE1-CE 3.4Å; E872-K875 IonicContact OE1-NZ 3.19Å; E872-K875 PolarHBondContact OE1-NZ 2.91Å; T873-K875 VanDerWaalsContact C-N 3.32Å; T873-K875 PolarHBondContact O-N 2.68Å; K875-N877 VanDerWaalsContact C-N 3.34Å; K875-N877 PolarHBondContact O-N 2.74Å; K875-A878 PolarHBondContact O-N 3.18Å; K875-I879 WeakPolarHBondContact O-CG1 3.33Å; K875-I879 PolarHBondContact O-N 2.94Å; K875-H929 VanDerWaalsContact CG-CD2 3.41Å; K875-H929 WeakPolarHBondContact CG-CD2 3.45Å
876	R	94.4	Very high	93.2	Very high	79 Å²	79	40.9 Å²	40.9	30%	0.298	20%	0.195	S	C	.	.	H	α-helix	trans	-54.6	-50.3	-177.7	178.1	-179.2	64.9	-126.7	-16.4	111	E872 T873 A878 I879 I880 A922	E872-R876 VanDerWaalsContact O-CB 3.24Å; E872-R876 WeakPolarHBondContact O-CB 3.38Å; E872-R876 PolarHBondContact O-N 3.25Å; T873-R876 PolarHBondContact O-N 3.07Å; T873-R876 PolarHBondContact OG1-NH2 2.78Å; T873-R876 VanDerWaalsContact OG1-NH2 3.15Å; R876-A878 PolarHBondContact O-N 3.44Å; R876-I879 PolarHBondContact O-N 3.5Å; R876-I880 HydrophobicContact CG-CD1 3.71Å; R876-I880 WeakPolarHBondContact O-CG1 3.48Å; R876-I880 PolarHBondContact O-N 2.94Å; R876-A922 PolarHBondContact NE-O 2.97Å; R876-A922 VanDerWaalsContact NE-O 3.07Å
877	N	95.4	Very high	92.9	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-62.1	-44.7	-179.3	-67.5	-8	0	0	0	111.3	T873 K875 I879 I880 Y881 I923 R924 L927 V928	T873-N877 WeakPolarHBondContact CG2-ND2 3.3Å; T873-N877 VanDerWaalsContact O-CB 3.27Å; T873-N877 WeakPolarHBondContact O-CB 3.41Å; T873-N877 PolarHBondContact O-N 2.82Å; T873-N877 PolarHBondContact O-ND2 3.2Å; K875-N877 VanDerWaalsContact C-N 3.34Å; K875-N877 PolarHBondContact O-N 2.74Å; N877-I879 VanDerWaalsContact C-N 3.34Å; N877-I879 PolarHBondContact O-N 2.84Å; N877-I880 PolarHBondContact O-N 3.43Å; N877-Y881 HydrophobicContact CB-CD2 4.34Å; N877-Y881 HydrophobicContact CB-CE2 4.32Å; N877-Y881 WeakPolarHBondContact O-CB 3.01Å; N877-Y881 WeakPolarHBondContact O-CD2 3.38Å; N877-Y881 PolarHBondContact O-N 2.97Å; N877-I923 HydrophobicContact CB-CD1 4.06Å; N877-R924 PolarHBondContact ND2-O 2.6Å; N877-R924 PolarHBondContact OD1-N 2.86Å; N877-L927 VanDerWaalsContact CB-O 3.24Å; N877-L927 WeakPolarHBondContact CB-O 3.28Å; N877-L927 PolarHBondContact ND2-O 2.88Å; N877-V928 HydrophobicContact CB-CG1 3.85Å
878	A	94	Very high	92.6	Very high	30 Å²	30	39.7 Å²	39.7	25%	0.248	19%	0.192	C	C	.	.	H	α-helix	trans	-60.8	-41.9	178.3	0	0	0	0	0	112.3	A874 K875 R876 D882 V928	A874-A878 VanDerWaalsContact O-CB 3.28Å; A874-A878 WeakPolarHBondContact O-CB 3.32Å; A874-A878 PolarHBondContact O-N 3.37Å; K875-A878 PolarHBondContact O-N 3.18Å; R876-A878 PolarHBondContact O-N 3.44Å; A878-D882 WeakPolarHBondContact O-CB 3.42Å; A878-D882 PolarHBondContact O-N 3.19Å; A878-V928 HydrophobicContact CB-CB 4.14Å; A878-V928 HydrophobicContact CB-CG1 4.44Å
879	I	94.2	Very high	92.6	Very high	117 Å²	117	34.8 Å²	34.8	60%	0.6	17%	0.167	S	C	*	.	H	α-helix	trans	-64.3	-44.3	177.3	-67.3	164.4	0	0	0	111.2	K875 R876 N877 K883	K875-I879 WeakPolarHBondContact O-CG1 3.33Å; K875-I879 PolarHBondContact O-N 2.94Å; R876-I879 PolarHBondContact O-N 3.5Å; N877-I879 VanDerWaalsContact C-N 3.34Å; N877-I879 PolarHBondContact O-N 2.84Å; I879-K883 VanDerWaalsContact O-CB 3.25Å; I879-K883 WeakPolarHBondContact O-CB 3.11Å; I879-K883 PolarHBondContact O-N 3.25Å
880	I	94.6	Very high	92.3	Very high	13 Å²	13	33.9 Å²	33.9	7%	0.067	16%	0.162	C	C	.	.	H	α-helix	trans	-66.3	-45.3	178.6	-65.5	164.3	0	0	0	110.8	R876 N877 D882 K883 V884 L920 A922 I923	R876-I880 HydrophobicContact CG-CD1 3.71Å; R876-I880 WeakPolarHBondContact O-CG1 3.48Å; R876-I880 PolarHBondContact O-N 2.94Å; N877-I880 PolarHBondContact O-N 3.43Å; I880-D882 VanDerWaalsContact C-N 3.35Å; I880-D882 PolarHBondContact O-N 3.08Å; I880-K883 PolarHBondContact O-N 2.99Å; I880-V884 HydrophobicContact CG2-CG2 4.05Å; I880-V884 WeakPolarHBondContact O-CB 3.29Å; I880-V884 WeakPolarHBondContact O-CG2 3.46Å; I880-V884 PolarHBondContact O-N 3.19Å; I880-L920 HydrophobicContact CG2-CD2 4.14Å; I880-A922 HydrophobicContact CD1-CB 3.72Å; I880-I923 HydrophobicContact CB-CD1 3.7Å; I880-I923 HydrophobicContact CD1-CD1 4.03Å; I880-I923 HydrophobicContact CG1-CD1 4.49Å; I880-I923 HydrophobicContact CG2-CD1 3.65Å; I880-I923 HydrophobicContact CG2-CG1 4.06Å
881	Y	95.1	Very high	91.9	Very high	3 Å²	3	37.2 Å²	37.2	1%	0.012	18%	0.18	C	C	.	.	H	α-helix	trans	-62.2	-39.8	178	-79	-59.8	0	0	0	112.6	R762 T763 H764 N877 F885 L920 I923 V928	R762-Y881 HydrophobicContact CB-CD2 4.27Å; R762-Y881 HydrophobicContact CB-CE2 4.02Å; R762-Y881 HydrophobicContact CG-CD1 4Å; R762-Y881 HydrophobicContact CG-CD2 4.07Å; R762-Y881 HydrophobicContact CG-CE1 3.91Å; R762-Y881 HydrophobicContact CG-CE2 3.95Å; R762-Y881 HydrophobicContact CG-CG 4.11Å; R762-Y881 PolarHBondContact O-OH 3.17Å; T763-Y881 WeakPolarHBondContact CA-OH 3.3Å; H764-Y881 HydrophobicContact CB-CE1 4.07Å; H764-Y881 AromaticContact ND1-CE1 3.63Å; H764-Y881 AromaticContact ND1-CZ 3.73Å; H764-Y881 PolarHBondContact ND1-OH 3.32Å; H764-Y881 VanDerWaalsContact ND1-OH 3.09Å; N877-Y881 HydrophobicContact CB-CD2 4.34Å; N877-Y881 HydrophobicContact CB-CE2 4.32Å; N877-Y881 WeakPolarHBondContact O-CB 3.01Å; N877-Y881 WeakPolarHBondContact O-CD2 3.38Å; N877-Y881 PolarHBondContact O-N 2.97Å; Y881-F885 AromaticContact CD1-CD2 3.91Å; Y881-F885 HydrophobicContact CD1-CD2 3.91Å; Y881-F885 AromaticContact CD1-CE2 3.98Å; Y881-F885 HydrophobicContact CD1-CE2 3.98Å; Y881-F885 HydrophobicContact CE1-CE2 4.24Å; Y881-F885 PolarHBondContact O-N 3.46Å; Y881-L920 HydrophobicContact CE1-CD2 4.46Å; Y881-I923 HydrophobicContact CD2-CD1 4.04Å; Y881-I923 HydrophobicContact CE2-CD1 3.81Å; Y881-I923 HydrophobicContact CE2-CG2 4.5Å; Y881-V928 HydrophobicContact CD2-CG1 3.56Å; Y881-V928 HydrophobicContact CE2-CG1 3.88Å
882	D	91.7	Very high	91.6	Very high	32 Å²	32	39.9 Å²	39.9	17%	0.171	20%	0.199	C	C	.	.	H	α-helix	trans	-69.3	-40.6	176.2	-159.3	31.6	0	0	0	111.7	A878 I880 R886 S892 Y902	A878-D882 WeakPolarHBondContact O-CB 3.42Å; A878-D882 PolarHBondContact O-N 3.19Å; I880-D882 VanDerWaalsContact C-N 3.35Å; I880-D882 PolarHBondContact O-N 3.08Å; D882-R886 WeakPolarHBondContact O-CA 3.38Å; D882-R886 WeakPolarHBondContact O-CG 3.39Å; D882-R886 PolarHBondContact O-N 3.49Å; D882-S892 PolarHBondContact OD2-OG 3.12Å; D882-Y902 PolarHBondContact OD1-OH 3.17Å; D882-Y902 PolarHBondContact OD2-OH 2.93Å
883	K	90.9	Very high	91.3	Very high	96 Å²	96	36.1 Å²	36.1	42%	0.417	18%	0.181	S	C	.	.	H	α-helix	trans	-63.5	-46.9	175.2	177.9	179.2	173.1	-176	0	112.9	I879 I880 L908 E919	I879-K883 VanDerWaalsContact O-CB 3.25Å; I879-K883 WeakPolarHBondContact O-CB 3.11Å; I879-K883 PolarHBondContact O-N 3.25Å; I880-K883 PolarHBondContact O-N 2.99Å; K883-L908 HydrophobicContact CG-CD2 4.49Å; K883-E919 WeakPolarHBondContact CE-OE2 3.4Å; K883-E919 IonicContact NZ-OE1 3.86Å; K883-E919 PolarHBondContact NZ-OE1 2.91Å; K883-E919 IonicContact NZ-OE2 4Å; K883-E919 PolarHBondContact NZ-OE2 3.09Å
884	V	92.9	Very high	91	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-78.7	-46.6	-172.6	174.9	0	0	0	0	111.9	I880 L908 C909 A916 E919 L920	I880-V884 HydrophobicContact CG2-CG2 4.05Å; I880-V884 WeakPolarHBondContact O-CB 3.29Å; I880-V884 WeakPolarHBondContact O-CG2 3.46Å; I880-V884 PolarHBondContact O-N 3.19Å; V884-L908 HydrophobicContact CG2-CD2 4.45Å; V884-L908 PolarHBondContact O-N 3.32Å; V884-C909 HydrophobicContact CG1-CB 4.31Å; V884-C909 PolarHBondContact O-N 2.78Å; V884-C909 VanDerWaalsContact O-N 3.14Å; V884-A916 HydrophobicContact CG1-CB 3.84Å; V884-E919 HydrophobicContact CG2-CB 3.83Å; V884-L920 HydrophobicContact CB-CD2 4.46Å; V884-L920 HydrophobicContact CG1-CD1 4.12Å; V884-L920 HydrophobicContact CG1-CD2 4.33Å; V884-L920 HydrophobicContact CG1-CG 4.2Å; V884-L920 HydrophobicContact CG2-CD2 4.35Å; V884-L920 HydrophobicContact CG2-CG 4.33Å
885	F	91.5	Very high	90.6	Very high	10 Å²	10	39.7 Å²	39.7	4%	0.044	20%	0.199	C	C	.	.	H	α-helix	trans	-112.7	-10.5	-170	-62.2	-76	0	0	0	114.6	H764 L771 T773 Y881 C887 R907 C909 L920	H764-F885 HydrophobicContact CB-CE2 4.05Å; H764-F885 HydrophobicContact CB-CZ 4Å; L771-F885 HydrophobicContact CB-CE1 3.98Å; L771-F885 HydrophobicContact CB-CZ 4.34Å; T773-F885 HydrophobicContact CG2-CB 3.67Å; T773-F885 HydrophobicContact CG2-CD1 3.77Å; T773-F885 HydrophobicContact CG2-CD2 3.54Å; T773-F885 HydrophobicContact CG2-CE1 4.21Å; T773-F885 HydrophobicContact CG2-CE2 3.98Å; T773-F885 HydrophobicContact CG2-CG 3.39Å; T773-F885 HydrophobicContact CG2-CZ 4.29Å; Y881-F885 AromaticContact CD1-CD2 3.91Å; Y881-F885 HydrophobicContact CD1-CD2 3.91Å; Y881-F885 AromaticContact CD1-CE2 3.98Å; Y881-F885 HydrophobicContact CD1-CE2 3.98Å; Y881-F885 HydrophobicContact CE1-CE2 4.24Å; Y881-F885 PolarHBondContact O-N 3.46Å; F885-C887 HydrophobicContact CB-CB 4.22Å; F885-C887 PolarHBondContact O-N 2.92Å; F885-R907 WeakPolarHBondContact O-CD 3.29Å; F885-C909 HydrophobicContact CD1-CB 4Å; F885-C909 HydrophobicContact CE1-CB 4.08Å; F885-L920 HydrophobicContact CE2-CD1 4.02Å; F885-L920 HydrophobicContact CE2-CD2 3.72Å; F885-L920 HydrophobicContact CE2-CG 4.48Å; F885-L920 HydrophobicContact CZ-CD1 3.84Å; F885-L920 HydrophobicContact CZ-CD2 4.39Å
886	R	89.4	Confident	90.1	Very high	93 Å²	93	39 Å²	39	35%	0.351	20%	0.199	S	C	.	.			trans	49.9	41.9	-170.1	-65	-173.7	149.2	139.4	-0	112.1	D882 Y902 E906 R907	D882-R886 WeakPolarHBondContact O-CA 3.38Å; D882-R886 WeakPolarHBondContact O-CG 3.39Å; D882-R886 PolarHBondContact O-N 3.49Å; R886-Y902 HydrophobicContact CB-CE1 3.79Å; R886-Y902 HydrophobicContact CG-CE1 4.43Å; R886-E906 PolarHBondContact NH1-O 3.32Å; R886-R907 HydrophobicContact CB-CG 4.43Å
887	C	88.2	Confident	89.6	Confident	19 Å²	19	40.9 Å²	40.9	13%	0.128	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-75.4	140.3	-169.4	66.6	0	0	0	0	112.9	R762 T773 F885	R762-C887 PolarHBondContact NE-SG 3.15Å; T773-C887 HydrophobicContact CG2-CB 4.28Å; F885-C887 HydrophobicContact CB-CB 4.22Å; F885-C887 PolarHBondContact O-N 2.92Å
888	L	87.6	Confident	89.2	Confident	22 Å²	22	44 Å²	44	12%	0.115	23%	0.23	C	C	.	.	S	Bend	trans	-91	153.4	175.1	-63.4	166.4	0	0	0	111	I713 T714 R762 L899 Y902 F934	I713-L888 HydrophobicContact CG1-CB 3.92Å; I713-L888 HydrophobicContact CG1-CD1 4.17Å; I713-L888 HydrophobicContact CG2-CB 4.32Å; I713-L888 HydrophobicContact CG2-CD1 4.1Å; T714-L888 HydrophobicContact CG2-CD1 4.49Å; R762-L888 PolarHBondContact NH2-O 3.06Å; L888-L899 HydrophobicContact CD1-CD1 3.63Å; L888-L899 HydrophobicContact CD2-CD1 3.61Å; L888-L899 HydrophobicContact CG-CD1 4.28Å; L888-Y902 HydrophobicContact CD2-CD1 4.25Å; L888-F934 HydrophobicContact CD2-CE2 3.83Å; L888-F934 HydrophobicContact CD2-CZ 4.23Å
889	P	89	Confident	88.8	Confident	12 Å²	12	42.7 Å²	42.7	8%	0.078	22%	0.219	C	C	.	.	S	Bend	cis	-76.9	154	-10.1	31	-30.8	0	0	0	112.2	L705 L706 P931 F934	L705-P889 HydrophobicContact CB-CG 4.36Å; L705-P889 WeakPolarHBondContact O-CG 3.3Å; L706-P889 HydrophobicContact CD2-CB 4.35Å; L706-P889 HydrophobicContact CD2-CG 3.92Å; L706-P889 HydrophobicContact CG-CG 4.37Å; P889-P931 HydrophobicContact CB-CG 3.76Å; P889-P931 HydrophobicContact CG-CG 3.67Å; P889-F934 HydrophobicContact CB-CB 4.1Å; P889-F934 HydrophobicContact CB-CD1 3.32Å; P889-F934 HydrophobicContact CB-CD2 4.04Å; P889-F934 HydrophobicContact CB-CE1 3.61Å; P889-F934 HydrophobicContact CB-CE2 4.29Å; P889-F934 HydrophobicContact CB-CG 3.54Å; P889-F934 HydrophobicContact CB-CZ 4.09Å
890	C	86.5	Confident	88.3	Confident	7 Å²	7	44.6 Å²	44.6	5%	0.047	22%	0.223	C	C	.	.			trans	-139	152.5	-177.9	62.8	0	0	0	0	111.5	S892 V893 F934	C890-S892 PolarHBondContact O-N 3.24Å; C890-V893 VanDerWaalsContact SG-CG2 3.56Å; C890-F934 WeakPolarHBondContact O-CD2 3.41Å
891	N	87	Confident	87.8	Confident	70 Å²	70	47.9 Å²	47.9	37%	0.374	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-13.7	177.8	-82.9	-44.7	0	0	0	113.7	V893 H894 P931 L932 K933	N891-V893 VanDerWaalsContact C-N 3.31Å; N891-V893 PolarHBondContact O-N 2.8Å; N891-H894 PolarHBondContact O-CE1 2.84Å; N891-H894 PolarHBondContact O-ND1 3.45Å; N891-P931 VanDerWaalsContact OD1-CA 3.25Å; N891-P931 WeakPolarHBondContact OD1-CA 3.5Å; N891-L932 PolarHBondContact OD1-N 3.26Å; N891-K933 HydrophobicContact CB-CB 4.44Å; N891-K933 WeakPolarHBondContact OD1-CB 3.44Å; N891-K933 PolarHBondContact OD1-N 3.11Å
892	S	85.9	Confident	87.3	Confident	65 Å²	65	49.4 Å²	49.4	46%	0.455	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-10	-176.7	-47.6	0	0	0	0	114.3	D882 C890	D882-S892 PolarHBondContact OD2-OG 3.12Å; C890-S892 PolarHBondContact O-N 3.24Å
893	V	86.5	Confident	86.6	Confident	1 Å²	1	50.6 Å²	50.6	1%	0.006	27%	0.266	C	S	.	.			trans	-118.5	100.8	-172.7	169.4	0	0	0	0	110.2	C890 N891 L898 L899 Y902 F934 L935	C890-V893 VanDerWaalsContact SG-CG2 3.56Å; N891-V893 VanDerWaalsContact C-N 3.31Å; N891-V893 PolarHBondContact O-N 2.8Å; V893-L898 HydrophobicContact CG1-CB 4.38Å; V893-L899 HydrophobicContact CG1-CB 3.62Å; V893-L899 HydrophobicContact CG1-CD1 3.93Å; V893-L899 HydrophobicContact CG1-CG 4.38Å; V893-Y902 HydrophobicContact CG2-CD1 3.97Å; V893-Y902 HydrophobicContact CG2-CD2 4.29Å; V893-Y902 HydrophobicContact CG2-CG 3.75Å; V893-F934 HydrophobicContact CB-CD2 4.03Å; V893-F934 HydrophobicContact CB-CE2 4Å; V893-F934 HydrophobicContact CG1-CD2 4.13Å; V893-F934 HydrophobicContact CG1-CE2 3.75Å; V893-F934 WeakPolarHBondContact O-CA 3.35Å; V893-L935 HydrophobicContact CG1-CD2 4.06Å; V893-L935 PolarHBondContact O-N 3.12Å
894	H	86.9	Confident	86.1	Confident	52 Å²	52	50.3 Å²	50.3	24%	0.241	28%	0.277	C	S	.	.			trans	-93	-19.9	-175.5	-59.4	-35.5	0	0	0	114.5	N891 L898 K933 L935 C936 E937	N891-H894 PolarHBondContact O-CE1 2.84Å; N891-H894 PolarHBondContact O-ND1 3.45Å; H894-L898 HydrophobicContact CB-CD1 4.07Å; H894-K933 PolarHBondContact ND1-O 2.89Å; H894-K933 VanDerWaalsContact ND1-O 3.07Å; H894-L935 CarbonylContact O-C 3.49Å; H894-L935 VanDerWaalsContact O-CA 3.29Å; H894-L935 WeakPolarHBondContact O-CA 3.25Å; H894-C936 PolarHBondContact ND1-SG 3.15Å; H894-C936 PolarHBondContact O-N 2.78Å; H894-E937 HydrophobicContact CB-CG 4.22Å; H894-E937 WeakPolarHBondContact CB-OE1 3.36Å; H894-E937 PolarHBondContact O-N 3.32Å
895	N	85.8	Confident	85.6	Confident	30 Å²	30	54.3 Å²	54.3	16%	0.16	30%	0.298	C	S	.	.	S	Bend	trans	-148.3	170	-178.1	61.7	56.6	0	0	0	112.3	L897 L898 L899 E937 E938	N895-L897 VanDerWaalsContact C-N 3.3Å; N895-L897 PolarHBondContact O-N 3.48Å; N895-L897 WeakPolarHBondContact OD1-CB 3.43Å; N895-L897 PolarHBondContact OD1-N 3.1Å; N895-L897 VanDerWaalsContact OD1-N 3.15Å; N895-L898 PolarHBondContact O-N 3.07Å; N895-L898 WeakPolarHBondContact OD1-CG 3.32Å; N895-L898 PolarHBondContact OD1-N 3.06Å; N895-L899 PolarHBondContact O-N 3.27Å; N895-E937 HydrophobicContact CB-CB 4.22Å; N895-E937 PolarHBondContact ND2-OE2 3.32Å; N895-E938 HydrophobicContact CB-CG 4.22Å; N895-E938 WeakPolarHBondContact CB-OE1 3.48Å
896	L	83.9	Confident	85.3	Confident	69 Å²	69	60.9 Å²	60.9	36%	0.361	33%	0.329	S	S	.	.	H	α-helix	trans	-67.8	-25.5	-177.1	-68.4	171.8	0	0	0	113.3	L899 K900 L935 E938	L896-L899 HydrophobicContact CD2-CD2 3.86Å; L896-K900 PolarHBondContact O-N 2.88Å; L896-L935 HydrophobicContact CD2-CD1 4.4Å; L896-L935 HydrophobicContact CD2-CD2 4.33Å; L896-E938 WeakPolarHBondContact CB-OE1 3.28Å; L896-E938 HydrophobicContact CG-CG 4.07Å; L896-E938 WeakPolarHBondContact CG-OE1 3.04Å; L896-E938 PolarHBondContact N-OE1 2.92Å
897	L	84.9	Confident	85.2	Confident	118 Å²	118	61.8 Å²	61.8	62%	0.618	33%	0.332	S	S	*	.	H	α-helix	trans	-70.3	-46.1	173.8	178.1	64.2	0	0	0	110.9	N895 L899 K900 N901	N895-L897 VanDerWaalsContact C-N 3.3Å; N895-L897 PolarHBondContact O-N 3.48Å; N895-L897 WeakPolarHBondContact OD1-CB 3.43Å; N895-L897 PolarHBondContact OD1-N 3.1Å; N895-L897 VanDerWaalsContact OD1-N 3.15Å; L897-L899 VanDerWaalsContact C-N 3.3Å; L897-L899 PolarHBondContact O-N 3.48Å; L897-K900 PolarHBondContact O-N 2.99Å; L897-N901 VanDerWaalsContact O-CG 3.24Å; L897-N901 PolarHBondContact O-N 2.85Å; L897-N901 PolarHBondContact O-ND2 2.81Å
898	L	85.8	Confident	85.2	Confident	66 Å²	66	62.1 Å²	62.1	35%	0.346	33%	0.332	S	S	.	.	H	α-helix	trans	-61.3	-40	172	-71.8	174.3	0	0	0	111.1	V893 H894 N895 N901 Y902	V893-L898 HydrophobicContact CG1-CB 4.38Å; H894-L898 HydrophobicContact CB-CD1 4.07Å; N895-L898 PolarHBondContact O-N 3.07Å; N895-L898 WeakPolarHBondContact OD1-CG 3.32Å; N895-L898 PolarHBondContact OD1-N 3.06Å; L898-N901 PolarHBondContact O-N 2.85Å; L898-Y902 VanDerWaalsContact O-CB 3.3Å; L898-Y902 WeakPolarHBondContact O-CB 3.12Å; L898-Y902 PolarHBondContact O-N 3.32Å
899	L	86.3	Confident	85.2	Confident	2 Å²	2	61.4 Å²	61.4	1%	0.01	33%	0.329	C	S	.	.	H	α-helix	trans	-58.5	-49.1	176.2	-177.8	66.8	0	0	0	111.7	G716 L888 V893 N895 L896 L897 N901 Y902 G903 F934	G716-L899 VanDerWaalsContact N-CD2 3.33Å; L888-L899 HydrophobicContact CD1-CD1 3.63Å; L888-L899 HydrophobicContact CD2-CD1 3.61Å; L888-L899 HydrophobicContact CG-CD1 4.28Å; V893-L899 HydrophobicContact CG1-CB 3.62Å; V893-L899 HydrophobicContact CG1-CD1 3.93Å; V893-L899 HydrophobicContact CG1-CG 4.38Å; N895-L899 PolarHBondContact O-N 3.27Å; L896-L899 HydrophobicContact CD2-CD2 3.86Å; L897-L899 VanDerWaalsContact C-N 3.3Å; L897-L899 PolarHBondContact O-N 3.48Å; L899-N901 VanDerWaalsContact C-N 3.34Å; L899-N901 PolarHBondContact O-N 3.21Å; L899-Y902 PolarHBondContact O-N 3.27Å; L899-G903 PolarHBondContact O-N 3.3Å; L899-F934 HydrophobicContact CD1-CE2 4.12Å; L899-F934 HydrophobicContact CD1-CZ 4.2Å
900	K	83.7	Confident	85	Confident	157 Å²	157	65.2 Å²	65.2	68%	0.683	35%	0.349	S	S	*	.	H	α-helix	trans	-62.2	-41.6	178.4	-173.4	178.5	-179.4	-179.9	0	112	L896 L897 S904	L896-K900 PolarHBondContact O-N 2.88Å; L897-K900 PolarHBondContact O-N 2.99Å; K900-S904 PolarHBondContact O-N 3.27Å
901	N	84.8	Confident	85.1	Confident	82 Å²	82	68.7 Å²	68.7	44%	0.439	37%	0.37	S	S	.	.	H	α-helix	trans	-65.1	-41.8	175.5	-66.3	-11.7	0	0	0	110.9	L897 L898 L899 G903 S904	L897-N901 VanDerWaalsContact O-CG 3.24Å; L897-N901 PolarHBondContact O-N 2.85Å; L897-N901 PolarHBondContact O-ND2 2.81Å; L898-N901 PolarHBondContact O-N 2.85Å; L899-N901 VanDerWaalsContact C-N 3.34Å; L899-N901 PolarHBondContact O-N 3.21Å; N901-G903 PolarHBondContact O-N 2.97Å; N901-S904 PolarHBondContact O-N 2.98Å; N901-S904 VanDerWaalsContact O-N 3.1Å; N901-S904 PolarHBondContact O-OG 2.78Å
902	Y	83.6	Confident	85.3	Confident	34 Å²	34	68.4 Å²	68.4	13%	0.133	37%	0.369	C	S	.	.	H	α-helix	trans	-63.8	-41.1	179.4	-155.5	-115.5	0	0	0	112.3	D882 R886 L888 V893 L898 L899 S904 L905	D882-Y902 PolarHBondContact OD1-OH 3.17Å; D882-Y902 PolarHBondContact OD2-OH 2.93Å; R886-Y902 HydrophobicContact CB-CE1 3.79Å; R886-Y902 HydrophobicContact CG-CE1 4.43Å; L888-Y902 HydrophobicContact CD2-CD1 4.25Å; V893-Y902 HydrophobicContact CG2-CD1 3.97Å; V893-Y902 HydrophobicContact CG2-CD2 4.29Å; V893-Y902 HydrophobicContact CG2-CG 3.75Å; L898-Y902 VanDerWaalsContact O-CB 3.3Å; L898-Y902 WeakPolarHBondContact O-CB 3.12Å; L898-Y902 PolarHBondContact O-N 3.32Å; L899-Y902 PolarHBondContact O-N 3.27Å; Y902-S904 PolarHBondContact O-N 2.86Å; Y902-L905 HydrophobicContact CD2-CD1 4.11Å; Y902-L905 PolarHBondContact O-N 2.85Å
903	G	77.3	Confident	85.4	Confident	57 Å²	57	68.8 Å²	68.8	59%	0.588	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-13	173.9	0	0	0	0	0	115	L899 N901	L899-G903 PolarHBondContact O-N 3.3Å; N901-G903 PolarHBondContact O-N 2.97Å
904	S	80.4	Confident	85.5	Confident	91 Å²	91	76.6 Å²	76.6	64%	0.636	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-2.8	175.8	72.1	0	0	0	0	114.3	K900 N901 Y902	K900-S904 PolarHBondContact O-N 3.27Å; N901-S904 PolarHBondContact O-N 2.98Å; N901-S904 VanDerWaalsContact O-N 3.1Å; N901-S904 PolarHBondContact O-OG 2.78Å; Y902-S904 PolarHBondContact O-N 2.86Å
905	L	83.4	Confident	85.7	Confident	83 Å²	83	78.5 Å²	78.5	44%	0.435	42%	0.415	S	S	.	.	S	Bend	trans	-87.9	130	179	-72.4	172.6	0	0	0	111.1	Y902	Y902-L905 HydrophobicContact CD2-CD1 4.11Å; Y902-L905 PolarHBondContact O-N 2.85Å
906	E	83.7	Confident	85.9	Confident	149 Å²	149	77.1 Å²	77.1	70%	0.696	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-54	141.9	176.5	-60.8	179	157.3	0	0	111.7	R886 T911	R886-E906 PolarHBondContact NH1-O 3.32Å; E906-T911 HydrophobicContact CB-CG2 3.84Å
907	R	88.1	Confident	86.2	Confident	111 Å²	111	75.8 Å²	75.8	42%	0.419	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-97.6	143.1	-178	-55.8	173.1	-64.2	170.4	8.2	109.7	F885 R886 C909 D910 T911	F885-R907 WeakPolarHBondContact O-CD 3.29Å; R886-R907 HydrophobicContact CB-CG 4.43Å; R907-C909 VanDerWaalsContact CB-SG 3.52Å; R907-C909 PolarHBondContact O-N 3.49Å; R907-D910 IonicContact CZ-OD1 3.29Å; R907-D910 IonicContact CZ-OD2 3.39Å; R907-D910 VanDerWaalsContact CZ-OD2 3.22Å; R907-D910 IonicContact NE-OD1 2.68Å; R907-D910 IonicContact NE-OD2 2.65Å; R907-D910 PolarHBondContact NE-OD2 3.26Å; R907-D910 IonicContact NH2-OD1 2.73Å; R907-D910 PolarHBondContact NH2-OD1 3.01Å; R907-D910 IonicContact NH2-OD2 2.75Å; R907-D910 PolarHBondContact NH2-OD2 3.4Å; R907-D910 WeakPolarHBondContact O-CB 3.42Å; R907-D910 PolarHBondContact O-N 3.02Å; R907-T911 PolarHBondContact O-N 2.78Å; R907-T911 VanDerWaalsContact O-N 3.12Å; R907-T911 PolarHBondContact O-OG1 3.06Å
908	L	87.8	Confident	86.5	Confident	26 Å²	26	75.6 Å²	75.6	14%	0.136	40%	0.402	C	S	.	.	H	α-helix	trans	-59.2	-35.1	179.6	-175.7	62.7	0	0	0	111.5	K883 V884 D910 T911 D912 Q915 A916	K883-L908 HydrophobicContact CG-CD2 4.49Å; V884-L908 HydrophobicContact CG2-CD2 4.45Å; V884-L908 PolarHBondContact O-N 3.32Å; L908-D910 PolarHBondContact O-N 3.2Å; L908-D910 VanDerWaalsContact O-N 3.16Å; L908-T911 WeakPolarHBondContact CA-OG1 3.33Å; L908-T911 PolarHBondContact O-N 2.75Å; L908-T911 PolarHBondContact O-OG1 2.94Å; L908-D912 HydrophobicContact CD1-CB 4.09Å; L908-D912 CarbonylContact O-C 3.57Å; L908-D912 VanDerWaalsContact O-C 3.29Å; L908-D912 PolarHBondContact O-N 3.02Å; L908-D912 VanDerWaalsContact O-O 3.1Å; L908-Q915 HydrophobicContact CD2-CG 4.43Å; L908-A916 HydrophobicContact CG-CB 4.29Å
909	C	87.4	Confident	86.9	Confident	8 Å²	8	75 Å²	75	5%	0.054	40%	0.398	C	S	.	.	H	α-helix	trans	-61.1	-17.1	173.3	66.4	0	0	0	0	115.5	L771 V884 F885 R907 A916	L771-C909 HydrophobicContact CB-CB 4.19Å; V884-C909 HydrophobicContact CG1-CB 4.31Å; V884-C909 PolarHBondContact O-N 2.78Å; V884-C909 VanDerWaalsContact O-N 3.14Å; F885-C909 HydrophobicContact CD1-CB 4Å; F885-C909 HydrophobicContact CE1-CB 4.08Å; R907-C909 VanDerWaalsContact CB-SG 3.52Å; R907-C909 PolarHBondContact O-N 3.49Å; C909-A916 HydrophobicContact CB-CB 4.43Å
910	D	86.1	Confident	87.2	Confident	91 Å²	91	75.4 Å²	75.4	49%	0.487	40%	0.4	S	S	.	.	H	α-helix	trans	-99.9	-34.4	176.6	-54.9	-29.9	0	0	0	111.7	R907 L908	R907-D910 IonicContact CZ-OD1 3.29Å; R907-D910 IonicContact CZ-OD2 3.39Å; R907-D910 VanDerWaalsContact CZ-OD2 3.22Å; R907-D910 IonicContact NE-OD1 2.68Å; R907-D910 IonicContact NE-OD2 2.65Å; R907-D910 PolarHBondContact NE-OD2 3.26Å; R907-D910 IonicContact NH2-OD1 2.73Å; R907-D910 PolarHBondContact NH2-OD1 3.01Å; R907-D910 IonicContact NH2-OD2 2.75Å; R907-D910 PolarHBondContact NH2-OD2 3.4Å; R907-D910 WeakPolarHBondContact O-CB 3.42Å; R907-D910 PolarHBondContact O-N 3.02Å; L908-D910 PolarHBondContact O-N 3.2Å; L908-D910 VanDerWaalsContact O-N 3.16Å
911	T	88.8	Confident	87.5	Confident	80 Å²	80	74.8 Å²	74.8	49%	0.491	40%	0.397	S	S	.	.	H	α-helix	trans	-87.5	-37.4	-175.2	60.2	0	0	0	0	113.6	E906 R907 L908	E906-T911 HydrophobicContact CB-CG2 3.84Å; R907-T911 PolarHBondContact O-N 2.78Å; R907-T911 VanDerWaalsContact O-N 3.12Å; R907-T911 PolarHBondContact O-OG1 3.06Å; L908-T911 WeakPolarHBondContact CA-OG1 3.33Å; L908-T911 PolarHBondContact O-N 2.75Å; L908-T911 PolarHBondContact O-OG1 2.94Å
912	D	90.1	Very high	87.8	Confident	65 Å²	65	73.1 Å²	73.1	35%	0.348	40%	0.395	S	S	.	.			trans	-145.8	86.5	177.7	-171.3	-23.2	0	0	0	109.9	L908 E914 Q915 A916	L908-D912 HydrophobicContact CD1-CB 4.09Å; L908-D912 CarbonylContact O-C 3.57Å; L908-D912 VanDerWaalsContact O-C 3.29Å; L908-D912 PolarHBondContact O-N 3.02Å; L908-D912 VanDerWaalsContact O-O 3.1Å; D912-E914 PolarHBondContact O-N 3Å; D912-E914 PolarHBondContact OD1-N 2.68Å; D912-E914 VanDerWaalsContact OD1-N 3.12Å; D912-Q915 HydrophobicContact CB-CB 4.1Å; D912-Q915 VanDerWaalsContact CG-CB 3.43Å; D912-Q915 PolarHBondContact OD1-N 3.45Å; D912-Q915 WeakPolarHBondContact OD2-CB 3.42Å; D912-A916 VanDerWaalsContact O-CB 3.27Å; D912-A916 WeakPolarHBondContact O-CB 3.36Å; D912-A916 PolarHBondContact O-N 2.77Å
913	P	87.9	Confident	88.2	Confident	72 Å²	72	72.6 Å²	72.6	47%	0.468	39%	0.394	S	S	.	.	H	α-helix	trans	-63.2	-24.3	178.7	-23.8	35.2	0	0	0	114.2	A917	P913-A917 VanDerWaalsContact O-CB 3.31Å; P913-A917 WeakPolarHBondContact O-CB 3.43Å; P913-A917 PolarHBondContact O-N 3.3Å
914	E	88.5	Confident	88.7	Confident	166 Å²	166	75.5 Å²	75.5	78%	0.776	39%	0.387	S	S	*	.	H	α-helix	trans	-77.7	-47.6	180	-66.3	-169.5	-176.9	0	0	110.8	D912 A916 A917 E918	D912-E914 PolarHBondContact O-N 3Å; D912-E914 PolarHBondContact OD1-N 2.68Å; D912-E914 VanDerWaalsContact OD1-N 3.12Å; E914-A916 VanDerWaalsContact C-N 3.31Å; E914-A916 PolarHBondContact O-N 2.94Å; E914-A917 PolarHBondContact O-N 3.49Å; E914-E918 PolarHBondContact O-N 3.2Å
915	Q	91.4	Very high	89.3	Confident	92 Å²	92	72 Å²	72	43%	0.43	37%	0.366	S	S	.	.	H	α-helix	trans	-61.4	-41.5	171.4	-172.6	176.3	38.4	0	0	111.1	L908 D912 A917 E918 E919	L908-Q915 HydrophobicContact CD2-CG 4.43Å; D912-Q915 HydrophobicContact CB-CB 4.1Å; D912-Q915 VanDerWaalsContact CG-CB 3.43Å; D912-Q915 PolarHBondContact OD1-N 3.45Å; D912-Q915 WeakPolarHBondContact OD2-CB 3.42Å; Q915-A917 VanDerWaalsContact C-N 3.32Å; Q915-A917 PolarHBondContact O-N 2.92Å; Q915-E918 PolarHBondContact O-N 3.29Å; Q915-E919 HydrophobicContact CG-CG 4.33Å; Q915-E919 VanDerWaalsContact O-CG 3.22Å; Q915-E919 WeakPolarHBondContact O-CG 3.49Å; Q915-E919 PolarHBondContact O-N 3.39Å
916	A	90.4	Very high	89.8	Confident	0 Å²	0	69 Å²	69	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-57.6	-43.5	174	0	0	0	0	0	112.2	L771 V884 L908 C909 D912 E914 L920	L771-A916 HydrophobicContact CD1-CB 3.61Å; V884-A916 HydrophobicContact CG1-CB 3.84Å; L908-A916 HydrophobicContact CG-CB 4.29Å; C909-A916 HydrophobicContact CB-CB 4.43Å; D912-A916 VanDerWaalsContact O-CB 3.27Å; D912-A916 WeakPolarHBondContact O-CB 3.36Å; D912-A916 PolarHBondContact O-N 2.77Å; E914-A916 VanDerWaalsContact C-N 3.31Å; E914-A916 PolarHBondContact O-N 2.94Å; A916-L920 WeakPolarHBondContact O-CD1 3.45Å; A916-L920 VanDerWaalsContact O-CG 3.22Å; A916-L920 WeakPolarHBondContact O-CG 3.23Å; A916-L920 PolarHBondContact O-N 3.01Å
917	A	89.9	Confident	90.4	Very high	42 Å²	42	62 Å²	62	35%	0.347	32%	0.317	S	S	.	.	H	α-helix	trans	-67.7	-34.5	177.6	0	0	0	0	0	113.1	L771 P913 E914 Q915	L771-A917 HydrophobicContact CD1-CB 4.49Å; P913-A917 VanDerWaalsContact O-CB 3.31Å; P913-A917 WeakPolarHBondContact O-CB 3.43Å; P913-A917 PolarHBondContact O-N 3.3Å; E914-A917 PolarHBondContact O-N 3.49Å; Q915-A917 VanDerWaalsContact C-N 3.32Å; Q915-A917 PolarHBondContact O-N 2.92Å
918	E	92.3	Very high	90.8	Very high	114 Å²	114	57 Å²	57	53%	0.533	30%	0.299	S	S	.	.	H	α-helix	trans	-68.4	-46.8	175.5	-166.1	62.7	-136.2	0	0	111.7	E914 Q915 L920 K921	E914-E918 PolarHBondContact O-N 3.2Å; Q915-E918 PolarHBondContact O-N 3.29Å; E918-L920 PolarHBondContact O-N 3.45Å; E918-K921 WeakPolarHBondContact O-CB 3.29Å; E918-K921 PolarHBondContact O-N 2.84Å; E918-K921 VanDerWaalsContact O-N 3.08Å; E918-K921 WeakPolarHBondContact OE1-CD 3.38Å; E918-K921 IonicContact OE1-NZ 3.55Å; E918-K921 IonicContact OE2-NZ 2.64Å; E918-K921 PolarHBondContact OE2-NZ 3.26Å
919	E	92.3	Very high	91.1	Very high	53 Å²	53	58 Å²	58	25%	0.248	30%	0.304	C	S	.	.	H	α-helix	trans	-58.9	-36.6	177.6	-66.3	-83.8	164.1	0	0	112	K883 V884 Q915 K921 A922	K883-E919 WeakPolarHBondContact CE-OE2 3.4Å; K883-E919 IonicContact NZ-OE1 3.86Å; K883-E919 PolarHBondContact NZ-OE1 2.91Å; K883-E919 IonicContact NZ-OE2 4Å; K883-E919 PolarHBondContact NZ-OE2 3.09Å; V884-E919 HydrophobicContact CG2-CB 3.83Å; Q915-E919 HydrophobicContact CG-CG 4.33Å; Q915-E919 VanDerWaalsContact O-CG 3.22Å; Q915-E919 WeakPolarHBondContact O-CG 3.49Å; Q915-E919 PolarHBondContact O-N 3.39Å; E919-K921 VanDerWaalsContact C-N 3.28Å; E919-K921 PolarHBondContact O-N 2.89Å; E919-A922 PolarHBondContact O-N 3.39Å
920	L	92.8	Very high	91.3	Very high	10 Å²	10	58.1 Å²	58.1	5%	0.052	30%	0.303	C	S	.	.	H	α-helix	trans	-68.5	-21.7	178.3	-71.2	170.5	0	0	0	113.9	L771 I880 Y881 V884 F885 A916 E918 A922 I923	L771-L920 HydrophobicContact CD1-CD1 4.27Å; L771-L920 HydrophobicContact CD2-CD1 4.42Å; I880-L920 HydrophobicContact CG2-CD2 4.14Å; Y881-L920 HydrophobicContact CE1-CD2 4.46Å; V884-L920 HydrophobicContact CB-CD2 4.46Å; V884-L920 HydrophobicContact CG1-CD1 4.12Å; V884-L920 HydrophobicContact CG1-CD2 4.33Å; V884-L920 HydrophobicContact CG1-CG 4.2Å; V884-L920 HydrophobicContact CG2-CD2 4.35Å; V884-L920 HydrophobicContact CG2-CG 4.33Å; F885-L920 HydrophobicContact CE2-CD1 4.02Å; F885-L920 HydrophobicContact CE2-CD2 3.72Å; F885-L920 HydrophobicContact CE2-CG 4.48Å; F885-L920 HydrophobicContact CZ-CD1 3.84Å; F885-L920 HydrophobicContact CZ-CD2 4.39Å; A916-L920 WeakPolarHBondContact O-CD1 3.45Å; A916-L920 VanDerWaalsContact O-CG 3.22Å; A916-L920 WeakPolarHBondContact O-CG 3.23Å; A916-L920 PolarHBondContact O-N 3.01Å; E918-L920 PolarHBondContact O-N 3.45Å; L920-A922 PolarHBondContact O-N 3.41Å; L920-I923 HydrophobicContact CD2-CG1 4.13Å; L920-I923 WeakPolarHBondContact O-CB 3.48Å; L920-I923 WeakPolarHBondContact O-CG1 3.47Å; L920-I923 PolarHBondContact O-N 3.44Å; L920-I923 VanDerWaalsContact O-N 3.1Å
921	K	90.7	Very high	91.5	Very high	145 Å²	145	54 Å²	54	63%	0.63	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-17.9	173.2	-64.3	168.2	-173.5	172.5	0	113.1	E918 E919	E918-K921 WeakPolarHBondContact O-CB 3.29Å; E918-K921 PolarHBondContact O-N 2.84Å; E918-K921 VanDerWaalsContact O-N 3.08Å; E918-K921 WeakPolarHBondContact OE1-CD 3.38Å; E918-K921 IonicContact OE1-NZ 3.55Å; E918-K921 IonicContact OE2-NZ 2.64Å; E918-K921 PolarHBondContact OE2-NZ 3.26Å; E919-K921 VanDerWaalsContact C-N 3.28Å; E919-K921 PolarHBondContact O-N 2.89Å
922	A	90.6	Very high	91.3	Very high	47 Å²	47	52 Å²	52	39%	0.388	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-5.5	175.6	0	0	0	0	0	113.9	R876 I880 E919 L920	R876-A922 PolarHBondContact NE-O 2.97Å; R876-A922 VanDerWaalsContact NE-O 3.07Å; I880-A922 HydrophobicContact CD1-CB 3.72Å; E919-A922 PolarHBondContact O-N 3.39Å; L920-A922 PolarHBondContact O-N 3.41Å
923	I	91.4	Very high	91.1	Very high	23 Å²	23	54.9 Å²	54.9	12%	0.118	28%	0.277	C	S	.	.			trans	-65.5	137.3	168.7	-61.7	-65.4	0	0	0	109.5	N877 I880 Y881 L920	N877-I923 HydrophobicContact CB-CD1 4.06Å; I880-I923 HydrophobicContact CB-CD1 3.7Å; I880-I923 HydrophobicContact CD1-CD1 4.03Å; I880-I923 HydrophobicContact CG1-CD1 4.49Å; I880-I923 HydrophobicContact CG2-CD1 3.65Å; I880-I923 HydrophobicContact CG2-CG1 4.06Å; Y881-I923 HydrophobicContact CD2-CD1 4.04Å; Y881-I923 HydrophobicContact CE2-CD1 3.81Å; Y881-I923 HydrophobicContact CE2-CG2 4.5Å; L920-I923 HydrophobicContact CD2-CG1 4.13Å; L920-I923 WeakPolarHBondContact O-CB 3.48Å; L920-I923 WeakPolarHBondContact O-CG1 3.47Å; L920-I923 PolarHBondContact O-N 3.44Å; L920-I923 VanDerWaalsContact O-N 3.1Å
924	R	89.5	Confident	91.1	Very high	117 Å²	117	51.5 Å²	51.5	44%	0.442	26%	0.255	S	S	.	.			trans	-132	132.1	167	-60	-171.6	-178.8	173.7	2.7	110.2	D852 T873 N877	D852-R924 IonicContact OD2-CZ 2.81Å; D852-R924 VanDerWaalsContact OD2-CZ 3.25Å; D852-R924 IonicContact OD2-NE 2.85Å; D852-R924 IonicContact OD2-NH1 3.15Å; D852-R924 PolarHBondContact OD2-NH1 3.29Å; D852-R924 IonicContact OD2-NH2 3.67Å; T873-R924 WeakPolarHBondContact CG2-O 3.42Å; N877-R924 PolarHBondContact ND2-O 2.6Å; N877-R924 PolarHBondContact OD1-N 2.86Å
925	G	91.6	Very high	90.9	Very high	19 Å²	19	43.6 Å²	43.6	20%	0.196	22%	0.218	C	C	.	.	S	Bend	trans	65.1	-153.9	-177	0	0	0	0	0	113	L846 G848	L846-G925 WeakPolarHBondContact O-CA 3.34Å; G848-G925 VanDerWaalsContact CA-CA 3.46Å
926	L	95.1	Very high	90.4	Very high	20 Å²	20	41.7 Å²	41.7	11%	0.105	21%	0.214	C	C	.	.	S	Bend	trans	-125.1	-13.3	-168.5	-56.1	174.3	0	0	0	113.4	Y477 L761 R762 I776 V845 L846	Y477-L926 HydrophobicContact CD2-CD1 3.48Å; Y477-L926 VanDerWaalsContact CD2-CD1 3.48Å; Y477-L926 HydrophobicContact CE2-CD1 3.45Å; Y477-L926 VanDerWaalsContact CE2-CD1 3.45Å; L761-L926 WeakPolarHBondContact CA-O 3.43Å; L761-L926 HydrophobicContact CD2-CB 4.36Å; R762-L926 PolarHBondContact N-O 2.88Å; R762-L926 VanDerWaalsContact N-O 3.07Å; I776-L926 HydrophobicContact CD1-CB 4.26Å; I776-L926 HydrophobicContact CD1-CD1 3.77Å; I776-L926 HydrophobicContact CD1-CD2 3.83Å; I776-L926 HydrophobicContact CD1-CG 4.17Å; V845-L926 HydrophobicContact CG1-CD1 3.7Å; L846-L926 PolarHBondContact O-N 2.78Å
927	L	96.3	Very high	90.2	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	135.6	-178.8	-72.5	165.1	0	0	0	111.9	V702 C759 L761 L846 T847 W870 A874 N877	V702-L927 HydrophobicContact CG2-CD2 4.22Å; C759-L927 HydrophobicContact CB-CD2 3.76Å; L761-L927 HydrophobicContact CD2-CD2 4Å; L846-L927 HydrophobicContact CB-CD1 4.02Å; L846-L927 HydrophobicContact CB-CD2 4.31Å; L846-L927 HydrophobicContact CB-CG 3.93Å; L846-L927 HydrophobicContact CD2-CD2 4.43Å; L846-L927 WeakPolarHBondContact O-CG 3.45Å; L846-L927 PolarHBondContact O-N 2.77Å; T847-L927 HydrophobicContact CG2-CD1 4.2Å; W870-L927 HydrophobicContact CD2-CD1 3.7Å; W870-L927 HydrophobicContact CE3-CD1 3.74Å; W870-L927 HydrophobicContact CG-CD1 4.37Å; W870-L927 HydrophobicContact CH2-CD1 3.9Å; W870-L927 HydrophobicContact CH2-CD2 3.83Å; W870-L927 HydrophobicContact CH2-CG 4.49Å; W870-L927 HydrophobicContact CZ2-CD1 3.87Å; W870-L927 HydrophobicContact CZ2-CD2 3.5Å; W870-L927 HydrophobicContact CZ2-CG 4.36Å; W870-L927 HydrophobicContact CZ3-CD1 3.84Å; A874-L927 HydrophobicContact CB-CB 4.29Å; N877-L927 VanDerWaalsContact CB-O 3.24Å; N877-L927 WeakPolarHBondContact CB-O 3.28Å; N877-L927 PolarHBondContact ND2-O 2.88Å
928	V	96.3	Very high	89.8	Confident	6 Å²	6	48.7 Å²	48.7	4%	0.036	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	145.1	164	-68.1	0	0	0	0	109.2	L705 C759 G760 R762 N877 A878 Y881	L705-V928 HydrophobicContact CD1-CG2 3.89Å; L705-V928 HydrophobicContact CD2-CG2 4.05Å; L705-V928 HydrophobicContact CG-CG2 4.39Å; C759-V928 CarbonylContact C-O 3.48Å; C759-V928 VanDerWaalsContact CA-O 3.23Å; C759-V928 WeakPolarHBondContact CA-O 3.38Å; C759-V928 WeakPolarHBondContact CB-O 3.29Å; G760-V928 PolarHBondContact N-O 3.49Å; G760-V928 VanDerWaalsContact O-CG2 3.29Å; G760-V928 WeakPolarHBondContact O-CG2 3.38Å; G760-V928 PolarHBondContact O-N 2.89Å; G760-V928 VanDerWaalsContact O-O 3.08Å; R762-V928 HydrophobicContact CB-CG1 4.2Å; R762-V928 HydrophobicContact CB-CG2 4.18Å; N877-V928 HydrophobicContact CB-CG1 3.85Å; A878-V928 HydrophobicContact CB-CB 4.14Å; A878-V928 HydrophobicContact CB-CG1 4.44Å; Y881-V928 HydrophobicContact CD2-CG1 3.56Å; Y881-V928 HydrophobicContact CE2-CG1 3.88Å
929	H	93.6	Very high	89.2	Confident	49 Å²	49	48.1 Å²	48.1	23%	0.227	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	140.6	175.5	-100.4	-57.6	0	0	0	112	T757 F758 N871 A874 K875	T757-H929 PolarHBondContact OG1-CE1 3.46Å; F758-H929 PolarHBondContact O-ND1 2.91Å; N871-H929 PolarHBondContact OD1-CE1 2.99Å; A874-H929 HydrophobicContact CB-CB 4.48Å; A874-H929 PolarHBondContact O-N 3.46Å; K875-H929 VanDerWaalsContact CG-CD2 3.41Å; K875-H929 WeakPolarHBondContact CG-CD2 3.45Å
930	F	91.8	Very high	88.6	Confident	10 Å²	10	45.8 Å²	45.8	4%	0.044	23%	0.23	C	C	.	.			trans	-75.1	128.8	178.9	-164.1	-94.4	0	0	0	111.2	I703 L705 T728 Y729 M734 F758 L932	I703-F930 HydrophobicContact CD1-CD1 4.14Å; I703-F930 HydrophobicContact CD1-CD2 3.64Å; I703-F930 HydrophobicContact CD1-CE1 3.95Å; I703-F930 HydrophobicContact CD1-CE2 3.45Å; I703-F930 VanDerWaalsContact CD1-CE2 3.45Å; I703-F930 HydrophobicContact CD1-CG 3.97Å; I703-F930 HydrophobicContact CD1-CZ 3.62Å; I703-F930 HydrophobicContact CG1-CD2 3.67Å; I703-F930 HydrophobicContact CG1-CE2 3.72Å; I703-F930 HydrophobicContact CG1-CG 4.32Å; I703-F930 HydrophobicContact CG1-CZ 4.39Å; L705-F930 HydrophobicContact CD2-CD2 4.15Å; T728-F930 HydrophobicContact CG2-CZ 4.49Å; Y729-F930 HydrophobicContact CE1-CD1 4.37Å; Y729-F930 AromaticContact CE1-CE1 3.62Å; Y729-F930 HydrophobicContact CE1-CE1 3.62Å; Y729-F930 HydrophobicContact CE1-CZ 4.46Å; Y729-F930 HydrophobicContact CE2-CE1 4.49Å; Y729-F930 AromaticContact CZ-CE1 3.55Å; Y729-F930 AromaticContact CZ-CZ 3.97Å; Y729-F930 VanDerWaalsContact OH-CE1 3.23Å; Y729-F930 WeakPolarHBondContact OH-CE1 3.39Å; Y729-F930 WeakPolarHBondContact OH-CZ 3.47Å; M734-F930 HydrophobicContact CE-CD1 3.55Å; M734-F930 HydrophobicContact CE-CE1 3.86Å; M734-F930 HydrophobicContact CE-CG 4.34Å; M734-F930 HydrophobicContact SD-CE1 4.33Å; F758-F930 HydrophobicContact CB-CB 3.97Å; F758-F930 PolarHBondContact O-N 2.84Å; F930-L932 HydrophobicContact CD1-CD2 4.3Å; F930-L932 PolarHBondContact O-N 3.17Å
931	P	90	Very high	87.9	Confident	5 Å²	5	49.4 Å²	49.4	3%	0.032	25%	0.246	C	C	.	.			trans	-83.2	80.5	-169.5	32.3	-35.2	0	0	0	113.3	Y729 P889 N891 K933 F934	Y729-P931 PolarHBondContact OH-O 3.32Å; P889-P931 HydrophobicContact CB-CG 3.76Å; P889-P931 HydrophobicContact CG-CG 3.67Å; N891-P931 VanDerWaalsContact OD1-CA 3.25Å; N891-P931 WeakPolarHBondContact OD1-CA 3.5Å; P931-K933 PolarHBondContact O-N 3.05Å; P931-F934 HydrophobicContact CB-CB 4.35Å; P931-F934 HydrophobicContact CG-CB 4.43Å; P931-F934 WeakPolarHBondContact O-CB 3.45Å; P931-F934 PolarHBondContact O-N 2.88Å
932	L	85.5	Confident	87.2	Confident	37 Å²	37	43 Å²	43	19%	0.194	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.6	-29.3	179.5	-59.3	-179	0	0	0	115.1	M734 C735 R736 L742 W752 N891 F930	M734-L932 HydrophobicContact CE-CD2 3.51Å; C735-L932 HydrophobicContact CB-CD1 4.46Å; C735-L932 HydrophobicContact CB-CD2 4.34Å; R736-L932 PolarHBondContact NH2-O 2.99Å; L742-L932 HydrophobicContact CD1-CD1 4.03Å; W752-L932 HydrophobicContact CH2-CD1 4.49Å; N891-L932 PolarHBondContact OD1-N 3.26Å; F930-L932 HydrophobicContact CD1-CD2 4.3Å; F930-L932 PolarHBondContact O-N 3.17Å
933	K	85.5	Confident	86.4	Confident	126 Å²	126	43.6 Å²	43.6	55%	0.548	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	4.3	-176.6	-59	-170.8	177.5	-175.2	0	114.9	N891 H894 P931 L935 C936	N891-K933 HydrophobicContact CB-CB 4.44Å; N891-K933 WeakPolarHBondContact OD1-CB 3.44Å; N891-K933 PolarHBondContact OD1-N 3.11Å; H894-K933 PolarHBondContact ND1-O 2.89Å; H894-K933 VanDerWaalsContact ND1-O 3.07Å; P931-K933 PolarHBondContact O-N 3.05Å; K933-L935 PolarHBondContact O-N 2.64Å; K933-C936 PolarHBondContact O-SG 2.96Å; K933-C936 VanDerWaalsContact O-SG 3.35Å
934	F	86.9	Confident	85.5	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	126.7	177.3	-175.9	-120.1	0	0	0	111	I713 M725 R736 L888 P889 C890 V893 L899 P931 C936	I713-F934 HydrophobicContact CD1-CE1 4.27Å; I713-F934 HydrophobicContact CD1-CZ 4.39Å; M725-F934 HydrophobicContact CE-CD1 3.6Å; M725-F934 HydrophobicContact CE-CE1 3.62Å; M725-F934 HydrophobicContact SD-CE1 4.43Å; R736-F934 PolarHBondContact NH2-O 3.32Å; L888-F934 HydrophobicContact CD2-CE2 3.83Å; L888-F934 HydrophobicContact CD2-CZ 4.23Å; P889-F934 HydrophobicContact CB-CB 4.1Å; P889-F934 HydrophobicContact CB-CD1 3.32Å; P889-F934 HydrophobicContact CB-CD2 4.04Å; P889-F934 HydrophobicContact CB-CE1 3.61Å; P889-F934 HydrophobicContact CB-CE2 4.29Å; P889-F934 HydrophobicContact CB-CG 3.54Å; P889-F934 HydrophobicContact CB-CZ 4.09Å; C890-F934 WeakPolarHBondContact O-CD2 3.41Å; V893-F934 HydrophobicContact CB-CD2 4.03Å; V893-F934 HydrophobicContact CB-CE2 4Å; V893-F934 HydrophobicContact CG1-CD2 4.13Å; V893-F934 HydrophobicContact CG1-CE2 3.75Å; V893-F934 WeakPolarHBondContact O-CA 3.35Å; L899-F934 HydrophobicContact CD1-CE2 4.12Å; L899-F934 HydrophobicContact CD1-CZ 4.2Å; P931-F934 HydrophobicContact CB-CB 4.35Å; P931-F934 HydrophobicContact CG-CB 4.43Å; P931-F934 WeakPolarHBondContact O-CB 3.45Å; P931-F934 PolarHBondContact O-N 2.88Å; F934-C936 PolarHBondContact O-N 3.27Å
935	L	84.8	Confident	84.7	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	45.5	57	-176.2	-56.8	-178.8	0	0	0	112	M725 R736 V893 H894 L896 K933 E938 L940	M725-L935 HydrophobicContact CE-CD1 4.22Å; R736-L935 PolarHBondContact NH1-O 2.86Å; V893-L935 HydrophobicContact CG1-CD2 4.06Å; V893-L935 PolarHBondContact O-N 3.12Å; H894-L935 CarbonylContact O-C 3.49Å; H894-L935 VanDerWaalsContact O-CA 3.29Å; H894-L935 WeakPolarHBondContact O-CA 3.25Å; L896-L935 HydrophobicContact CD2-CD1 4.4Å; L896-L935 HydrophobicContact CD2-CD2 4.33Å; K933-L935 PolarHBondContact O-N 2.64Å; L935-E938 HydrophobicContact CB-CB 4.4Å; L935-E938 HydrophobicContact CB-CG 4.43Å; L935-E938 HydrophobicContact CD2-CG 4.33Å; L935-L940 HydrophobicContact CB-CD2 4.19Å; L935-L940 HydrophobicContact CD1-CD2 4.05Å
936	C	82.1	Confident	83.8	Confident	53 Å²	53	51 Å²	51	36%	0.358	26%	0.263	S	S	.	.			trans	-88.2	-14.6	-179.1	62.6	0	0	0	0	115.2	H894 K933 F934	H894-C936 PolarHBondContact ND1-SG 3.15Å; H894-C936 PolarHBondContact O-N 2.78Å; K933-C936 PolarHBondContact O-SG 2.96Å; K933-C936 VanDerWaalsContact O-SG 3.35Å; F934-C936 PolarHBondContact O-N 3.27Å
937	E	84.3	Confident	82.5	Confident	123 Å²	123	58.3 Å²	58.3	58%	0.575	30%	0.295	S	S	*	.	S	Bend	trans	-97.6	-5.6	177.3	-64.6	163.8	-169.6	0	0	112.2	H894 N895	H894-E937 HydrophobicContact CB-CG 4.22Å; H894-E937 WeakPolarHBondContact CB-OE1 3.36Å; H894-E937 PolarHBondContact O-N 3.32Å; N895-E937 HydrophobicContact CB-CB 4.22Å; N895-E937 PolarHBondContact ND2-OE2 3.32Å
938	E	81.9	Confident	81.5	Confident	65 Å²	65	60.6 Å²	60.6	30%	0.304	31%	0.305	S	S	.	.	S	Bend	trans	-100	138.2	-173.4	-64.3	-70.2	177.8	0	0	112.7	N895 L896 L935 L940	N895-E938 HydrophobicContact CB-CG 4.22Å; N895-E938 WeakPolarHBondContact CB-OE1 3.48Å; L896-E938 WeakPolarHBondContact CB-OE1 3.28Å; L896-E938 HydrophobicContact CG-CG 4.07Å; L896-E938 WeakPolarHBondContact CG-OE1 3.04Å; L896-E938 PolarHBondContact N-OE1 2.92Å; L935-E938 HydrophobicContact CB-CB 4.4Å; L935-E938 HydrophobicContact CB-CG 4.43Å; L935-E938 HydrophobicContact CD2-CG 4.33Å; E938-L940 HydrophobicContact CB-CD2 4.26Å; E938-L940 PolarHBondContact O-N 3.45Å; E938-L940 VanDerWaalsContact O-N 3.15Å
939	N	79.8	Confident	80.2	Confident	102 Å²	102	61.2 Å²	61.2	55%	0.545	31%	0.313	S	S	.	.			trans	-81.3	92.7	168.4	-177.1	15.8	0	0	0	110.1	H726 Q941	H726-N939 PolarHBondContact CE1-OD1 3.16Å; N939-Q941 PolarHBondContact ND2-OE1 3.06Å; N939-Q941 PolarHBondContact O-N 3.41Å; N939-Q941 WeakPolarHBondContact OD1-CB 3.48Å; N939-Q941 VanDerWaalsContact OD1-CD 3.25Å; N939-Q941 WeakPolarHBondContact OD1-CG 3.4Å; N939-Q941 PolarHBondContact OD1-N 3.13Å
940	L	81.1	Confident	79.1	Confident	5 Å²	5	66 Å²	66	3%	0.026	34%	0.337	C	S	.	.			trans	-67	22.6	177.9	-58.7	177.3	0	0	0	114.5	Q722 M725 H726 L935 E938	Q722-L940 CarbonylContact C-O 3.54Å; Q722-L940 HydrophobicContact CG-CD2 4.42Å; M725-L940 HydrophobicContact CB-CD1 4.07Å; M725-L940 HydrophobicContact CE-CD1 4.02Å; H726-L940 HydrophobicContact CB-CB 3.83Å; H726-L940 WeakPolarHBondContact CB-O 3.44Å; H726-L940 PolarHBondContact ND1-O 3.26Å; L935-L940 HydrophobicContact CB-CD2 4.19Å; L935-L940 HydrophobicContact CD1-CD2 4.05Å; E938-L940 HydrophobicContact CB-CD2 4.26Å; E938-L940 PolarHBondContact O-N 3.45Å; E938-L940 VanDerWaalsContact O-N 3.15Å
941	Q	78.1	Confident	78.2	Confident	85 Å²	85	66.8 Å²	66.8	40%	0.397	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-72.1	128.6	173.2	-83.7	169.8	11.7	0	0	110.2	H726 N939 P943	H726-Q941 PolarHBondContact ND1-N 3.27Å; N939-Q941 PolarHBondContact ND2-OE1 3.06Å; N939-Q941 PolarHBondContact O-N 3.41Å; N939-Q941 WeakPolarHBondContact OD1-CB 3.48Å; N939-Q941 VanDerWaalsContact OD1-CD 3.25Å; N939-Q941 WeakPolarHBondContact OD1-CG 3.4Å; N939-Q941 PolarHBondContact OD1-N 3.13Å; Q941-P943 WeakPolarHBondContact O-CD 3.46Å
942	P	74.6	Confident	77.6	Confident	11 Å²	11	69.9 Å²	69.9	7%	0.071	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-53.2	125.2	164	-28.2	37.5	0	0	0	110.5	A723 L944 E948	A723-P942 HydrophobicContact CB-CG 3.6Å; P942-L944 PolarHBondContact O-N 3.2Å; P942-E948 HydrophobicContact CB-CB 3.82Å; P942-E948 HydrophobicContact CG-CB 4.2Å
943	P	74.6	Confident	77.1	Confident	59 Å²	59	70.6 Å²	70.6	38%	0.383	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-56.3	139.8	179.7	-29	37	0	0	0	111.7	Q941 N945 S946 G949	Q941-P943 WeakPolarHBondContact O-CD 3.46Å; P943-N945 WeakPolarHBondContact CB-OD1 3.34Å; P943-N945 PolarHBondContact O-N 2.8Å; P943-S946 VanDerWaalsContact O-CB 3.3Å; P943-S946 WeakPolarHBondContact O-CB 3.36Å; P943-S946 PolarHBondContact O-N 3.38Å; P943-S946 PolarHBondContact O-OG 3.22Å; P943-G949 WeakPolarHBondContact O-CA 3.25Å
944	L	72.3	Confident	76.7	Confident	153 Å²	153	67.5 Å²	67.5	80%	0.801	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-15.5	-175.3	-69	172.7	0	0	0	114.6	P942 M950	P942-L944 PolarHBondContact O-N 3.2Å; L944-M950 WeakPolarHBondContact O-CG 3.39Å
945	N	73.3	Confident	76.3	Confident	146 Å²	146	69.6 Å²	69.6	78%	0.781	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-0.4	173.8	63	-25	0	0	0	114	P943	P943-N945 WeakPolarHBondContact CB-OD1 3.34Å; P943-N945 PolarHBondContact O-N 2.8Å
946	S	71.1	Confident	75.9	Confident	15 Å²	15	71.3 Å²	71.3	11%	0.105	38%	0.378	C	S	.	.	S	Bend	trans	-87.5	159.2	171.4	71.3	0	0	0	0	111.4	N719 P943 E948 G949 M950	N719-S946 WeakPolarHBondContact ND2-CB 3.05Å; P943-S946 VanDerWaalsContact O-CB 3.3Å; P943-S946 WeakPolarHBondContact O-CB 3.36Å; P943-S946 PolarHBondContact O-N 3.38Å; P943-S946 PolarHBondContact O-OG 3.22Å; S946-E948 PolarHBondContact O-N 3.46Å; S946-G949 PolarHBondContact O-N 2.95Å; S946-G949 PolarHBondContact OG-N 2.98Å; S946-M950 WeakPolarHBondContact O-CG 3.29Å; S946-M950 PolarHBondContact O-N 3.38Å
947	K	67.9	Low	75.6	Confident	175 Å²	175	68.8 Å²	68.8	76%	0.761	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-36.2	174.4	-65.2	175.6	-178.6	173.4	0	111.2	A951	K947-A951 PolarHBondContact O-N 3.11Å
948	E	75.1	Confident	75.1	Confident	48 Å²	48	66.1 Å²	66.1	22%	0.224	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-30.7	-175.2	-60.5	71	-146.8	0	0	112.1	N719 P942 S946 W956	N719-E948 HydrophobicContact CB-CB 3.92Å; N719-E948 HydrophobicContact CB-CG 3.69Å; N719-E948 WeakPolarHBondContact CB-OE2 3.13Å; N719-E948 PolarHBondContact ND2-OE2 3.01Å; P942-E948 HydrophobicContact CB-CB 3.82Å; P942-E948 HydrophobicContact CG-CB 4.2Å; S946-E948 PolarHBondContact O-N 3.46Å; E948-W956 HydrophobicContact CB-CH2 4.26Å; E948-W956 HydrophobicContact CB-CZ2 3.69Å; E948-W956 HydrophobicContact CG-CH2 4Å; E948-W956 HydrophobicContact CG-CZ2 3.91Å; E948-W956 PolarHBondContact O-NE1 3.05Å
949	G	68.9	Low	74.8	Confident	19 Å²	19	66.1 Å²	66.1	20%	0.196	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-18.7	172.9	0	0	0	0	0	114.3	P943 S946 A951	P943-G949 WeakPolarHBondContact O-CA 3.25Å; S946-G949 PolarHBondContact O-N 2.95Å; S946-G949 PolarHBondContact OG-N 2.98Å; G949-A951 VanDerWaalsContact C-N 3.34Å
950	M	71.1	Confident	74.5	Confident	150 Å²	150	64.1 Å²	64.1	74%	0.739	34%	0.342	S	S	*	.	S	Bend	trans	-81.5	-12.3	166.2	-70.1	-174.1	72.2	0	0	113.2	L944 S946	L944-M950 WeakPolarHBondContact O-CG 3.39Å; S946-M950 WeakPolarHBondContact O-CG 3.29Å; S946-M950 PolarHBondContact O-N 3.38Å
951	A	72.3	Confident	74.1	Confident	26 Å²	26	67.6 Å²	67.6	22%	0.215	36%	0.361	C	S	.	.	S	Bend	trans	-77.7	146.6	176.7	0	0	0	0	0	111.7	K947 G949 L955	K947-A951 PolarHBondContact O-N 3.11Å; G949-A951 VanDerWaalsContact C-N 3.34Å; A951-L955 HydrophobicContact CB-CD2 3.72Å
952	P	78	Confident	73.9	Confident	69 Å²	69	66.5 Å²	66.5	45%	0.448	36%	0.359	S	S	.	.			trans	-58.1	140.7	173.2	-24.4	35.2	0	0	0	112	L445 D954 L955	L445-P952 HydrophobicContact CD1-CG 4.04Å; P952-D954 PolarHBondContact O-N 3.09Å; P952-L955 WeakPolarHBondContact O-CB 3.32Å; P952-L955 PolarHBondContact O-N 3.32Å
953	T	75.9	Confident	73.8	Confident	52 Å²	52	70.2 Å²	70.2	32%	0.319	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-51.5	-42.5	179.6	-45.1	0	0	0	0	112.3	V674 F727 L955 W956 T957	V674-T953 HydrophobicContact CG1-CG2 3.82Å; F727-T953 HydrophobicContact CE1-CG2 4.04Å; F727-T953 HydrophobicContact CZ-CG2 3.59Å; T953-L955 PolarHBondContact O-N 3.09Å; T953-W956 PolarHBondContact O-N 3.46Å; T953-T957 HydrophobicContact CG2-CG2 4.33Å
954	D	76.9	Confident	73.8	Confident	61 Å²	61	71 Å²	71	33%	0.326	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-55.1	-15.9	176.2	-62.2	52.8	0	0	0	115.3	W446 R806 P952 W956	W446-D954 HydrophobicContact CH2-CB 3.98Å; W446-D954 WeakPolarHBondContact CH2-O 3.48Å; W446-D954 WeakPolarHBondContact CZ3-O 3.46Å; R806-D954 IonicContact CZ-OD2 3.84Å; R806-D954 IonicContact NE-OD2 2.67Å; R806-D954 PolarHBondContact NH1-O 3.29Å; R806-D954 IonicContact NH2-OD2 3.91Å; R806-D954 PolarHBondContact NH2-OD2 3.23Å; P952-D954 PolarHBondContact O-N 3.09Å; D954-W956 PolarHBondContact O-N 3.39Å
955	L	77.8	Confident	73.9	Confident	45 Å²	45	64.7 Å²	64.7	24%	0.236	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-65.3	-31.1	172.4	-172.9	69.9	0	0	0	111.6	L445 A951 P952 T953	L445-L955 HydrophobicContact CB-CD1 4.18Å; L445-L955 HydrophobicContact CD2-CD1 4.48Å; A951-L955 HydrophobicContact CB-CD2 3.72Å; P952-L955 WeakPolarHBondContact O-CB 3.32Å; P952-L955 PolarHBondContact O-N 3.32Å; T953-L955 PolarHBondContact O-N 3.09Å
956	W	77.2	Confident	73.9	Confident	35 Å²	35	57.9 Å²	57.9	13%	0.133	31%	0.308	C	S	.	.			trans	-107.2	-5.3	-169.7	-49.8	109.1	0	0	0	114.1	A720 A723 I724 F727 E948 T953 D954	A720-W956 HydrophobicContact CB-CH2 3.94Å; A720-W956 HydrophobicContact CB-CZ3 3.88Å; A723-W956 HydrophobicContact CB-CD2 3.82Å; A723-W956 HydrophobicContact CB-CE3 3.91Å; A723-W956 HydrophobicContact CB-CG 4.23Å; A723-W956 HydrophobicContact CB-CZ3 4.32Å; I724-W956 HydrophobicContact CD1-CE3 4.33Å; I724-W956 HydrophobicContact CG1-CE3 4.06Å; F727-W956 HydrophobicContact CD2-CB 3.65Å; F727-W956 HydrophobicContact CE2-CB 3.53Å; F727-W956 HydrophobicContact CE2-CG 4.23Å; E948-W956 HydrophobicContact CB-CH2 4.26Å; E948-W956 HydrophobicContact CB-CZ2 3.69Å; E948-W956 HydrophobicContact CG-CH2 4Å; E948-W956 HydrophobicContact CG-CZ2 3.91Å; E948-W956 PolarHBondContact O-NE1 3.05Å; T953-W956 PolarHBondContact O-N 3.46Å; D954-W956 PolarHBondContact O-N 3.39Å
957	T	74.8	Confident	74.2	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	33%	0.327	C	S	.	.			trans	-106.6	0	-176.1	66.5	0	0	0	0	115.4	V674 V675 F727 N798 D799 R800 R806 T953	V674-T957 HydrophobicContact CG1-CG2 4.44Å; V674-T957 PolarHBondContact O-OG1 2.81Å; V675-T957 HydrophobicContact CG2-CG2 4.21Å; F727-T957 HydrophobicContact CD1-CG2 3.7Å; F727-T957 HydrophobicContact CD2-CG2 4.25Å; F727-T957 HydrophobicContact CE1-CG2 3.78Å; F727-T957 HydrophobicContact CE2-CG2 4.33Å; F727-T957 HydrophobicContact CG-CG2 3.97Å; F727-T957 HydrophobicContact CZ-CG2 4.11Å; N798-T957 VanDerWaalsContact CB-OXT 3.3Å; N798-T957 WeakPolarHBondContact CB-OXT 3.2Å; D799-T957 WeakPolarHBondContact CB-OXT 3.44Å; D799-T957 PolarHBondContact N-OXT 3.29Å; R800-T957 WeakPolarHBondContact CB-O 3.36Å; R800-T957 PolarHBondContact N-O 3.29Å; R806-T957 PolarHBondContact NH1-O 2.96Å; R806-T957 PolarHBondContact NH1-OG1 3.19Å; R806-T957 PolarHBondContact NH2-OG1 2.89Å; T953-T957 HydrophobicContact CG2-CG2 4.33Å

Retrieved 957 of 957 residues in 1433.6 ms (Link to these results)

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