A0A087Y8U5_POEFO Loading...

Par-6 family cell polarity regulator alpha

AlphaFold DB , UniProt , Accession A0A087Y8U5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 420 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.3	Very low	38	Very low	231 Å²	231	143.5 Å²	143.5	100%	1.138	83%	0.83	S	S	*	*				0	146.6	0	-56.3	176.2	-178.5	0	0	107.9
2	F	35.9	Very low	37.5	Very low	187 Å²	187	146.5 Å²	146.5	82%	0.82	83%	0.83	S	S	*	*			cis	-173	131	-34	-113.3	-59.1	0	0	0	106.6
3	L	33.2	Very low	37.8	Very low	167 Å²	167	144.2 Å²	144.2	87%	0.874	82%	0.824	S	S	*	*			trans	62.7	161	172.8	-58	165.1	0	0	0	114.8
4	S	34.8	Very low	38	Very low	111 Å²	111	151.8 Å²	151.8	78%	0.776	83%	0.833	S	S	*	*			cis	-147.8	146.8	-33.6	-175.1	0	0	0	0	107.1
5	A	36.3	Very low	37.9	Very low	95 Å²	95	149.9 Å²	149.9	79%	0.785	84%	0.835	S	S	*	*			trans	-92.1	126.3	-167.4	0	0	0	0	0	114.1
6	V	43.4	Very low	37.9	Very low	126 Å²	126	155 Å²	155	76%	0.764	84%	0.838	S	S	*	*			trans	-133.9	128.3	160.6	175.3	0	0	0	0	108.1
7	P	43.9	Very low	37.8	Very low	123 Å²	123	157.1 Å²	157.1	80%	0.799	84%	0.844	S	S	*	*			trans	-117.4	156.6	144.5	-4.8	25.7	0	0	0	112.5
8	Q	32.9	Very low	37.7	Very low	182 Å²	182	154.6 Å²	154.6	85%	0.85	84%	0.84	S	S	*	*			trans	-106	176.4	178.8	-103	-159.3	33.6	0	0	112
9	P	49.6	Very low	37.9	Very low	112 Å²	112	159.6 Å²	159.6	73%	0.727	85%	0.846	S	S	*	*			trans	-98.2	173	-147.5	38.8	-39.2	0	0	0	116.6
10	S	33.6	Very low	37.8	Very low	117 Å²	117	160.8 Å²	160.8	82%	0.818	85%	0.846	S	S	*	*			trans	-141.5	90.3	167.2	43.2	0	0	0	0	113.9
11	V	37.5	Very low	37.6	Very low	128 Å²	128	158 Å²	158	78%	0.776	84%	0.84	S	S	*	*			trans	27.7	122	138.8	-167.2	0	0	0	0	121.5
12	E	32.7	Very low	37.6	Very low	179 Å²	179	154.8 Å²	154.8	84%	0.836	82%	0.822	S	S	*	*			trans	68.6	165.8	150.7	-79.8	-167.6	169.4	0	0	122.7
13	P	40.9	Very low	37.8	Very low	116 Å²	116	153.5 Å²	153.5	75%	0.753	82%	0.819	S	S	*	*			cis	-125.3	-178.9	-11.9	18.8	5.3	0	0	0	114.9
14	R	41.1	Very low	37.9	Very low	251 Å²	251	152.3 Å²	152.3	95%	0.947	81%	0.809	S	S	*	*			trans	-64.4	138.3	177.6	-63.7	172.2	174.1	168.6	-2.9	113.5
15	S	37.1	Very low	38.1	Very low	124 Å²	124	154.7 Å²	154.7	87%	0.867	81%	0.807	S	S	*	*			trans	-104.6	156.1	162.5	-168.3	0	0	0	0	112.2
16	R	37.1	Very low	38.2	Very low	231 Å²	231	160.1 Å²	160.1	87%	0.872	81%	0.808	S	S	*	*			trans	-87	138.5	-173	-69.6	174.4	170.7	167.6	-4.2	112	S18	R16-S18 PolarHBondContact O-N 3.34Å; R16-S18 VanDerWaalsContact O-N 3.14Å
17	M	36.4	Very low	37.8	Very low	191 Å²	191	159.6 Å²	159.6	94%	0.941	81%	0.805	S	S	*	*			trans	-73.8	100	165.7	-73.5	-179	70.6	0	0	110.7	R19	M17-R19 PolarHBondContact O-N 3.14Å
18	S	35.1	Very low	37.6	Very low	112 Å²	112	159.2 Å²	159.2	78%	0.783	80%	0.802	S	S	*	*			trans	-69.1	115.8	171	-61.6	0	0	0	0	110.9	R16 Q20	R16-S18 PolarHBondContact O-N 3.34Å; R16-S18 VanDerWaalsContact O-N 3.14Å; S18-Q20 PolarHBondContact O-N 3.46Å
19	R	43	Very low	37.9	Very low	249 Å²	249	157.2 Å²	157.2	94%	0.94	80%	0.796	S	S	*	*			trans	-70.3	93.6	167.7	-80.3	-176.8	171	177.7	-2.6	109.7	M17 S21	M17-R19 PolarHBondContact O-N 3.14Å; R19-S21 PolarHBondContact O-N 3.01Å
20	Q	34.6	Very low	37.8	Very low	183 Å²	183	162.8 Å²	162.8	86%	0.855	80%	0.803	S	S	*	*			trans	-85.9	105.8	167	-132.7	178.4	15.8	0	0	109.3	S18 Q22	S18-Q20 PolarHBondContact O-N 3.46Å; Q20-Q22 PolarHBondContact O-N 3.1Å; Q20-Q22 VanDerWaalsContact O-N 3.1Å
21	S	34.8	Very low	38.1	Very low	103 Å²	103	164.1 Å²	164.1	72%	0.72	80%	0.796	S	S	*	*			trans	-73.7	95.8	176	50.8	0	0	0	0	110.2	R19 Q23	R19-S21 PolarHBondContact O-N 3.01Å; S21-Q23 VanDerWaalsContact C-N 3.31Å; S21-Q23 PolarHBondContact O-N 2.92Å
22	Q	35.1	Very low	38.8	Very low	163 Å²	163	165.4 Å²	165.4	76%	0.762	80%	0.796	S	S	*	*			trans	-66.5	94.7	163	-74.6	-168.9	-1.4	0	0	109	Q20 Q24	Q20-Q22 PolarHBondContact O-N 3.1Å; Q20-Q22 VanDerWaalsContact O-N 3.1Å; Q22-Q24 PolarHBondContact O-N 2.87Å
23	Q	40.6	Very low	40	Very low	160 Å²	160	161.4 Å²	161.4	75%	0.748	78%	0.781	S	S	*	*			trans	-65.8	86.9	162.2	-77.6	178.8	-41.2	0	0	108.3	S21 H25	S21-Q23 VanDerWaalsContact C-N 3.31Å; S21-Q23 PolarHBondContact O-N 2.92Å; Q23-H25 PolarHBondContact O-N 3.19Å
24	Q	36	Very low	41.9	Very low	143 Å²	143	159 Å²	159	67%	0.668	76%	0.761	S	S	*	*			trans	-66.7	91.7	163.2	-69.5	-168.9	8	0	0	108	Q22 R26	Q22-Q24 PolarHBondContact O-N 2.87Å; Q24-R26 PolarHBondContact O-N 3.3Å
25	H	37.8	Very low	44.1	Very low	161 Å²	161	150.5 Å²	150.5	75%	0.745	74%	0.738	S	S	*	*			trans	-66.9	64.2	158.1	-84.9	-85.8	0	0	0	109.4	Q23 T27	Q23-H25 PolarHBondContact O-N 3.19Å; H25-T27 PolarHBondContact O-N 2.93Å
26	R	39.2	Very low	46.6	Very low	209 Å²	209	144.6 Å²	144.6	79%	0.789	70%	0.696	S	S	*	*			trans	-65.5	94.5	155.3	-96.1	-172.7	165.6	-160.6	-4	106.3	Q24	Q24-R26 PolarHBondContact O-N 3.3Å
27	T	35.8	Very low	49.3	Very low	114 Å²	114	137.4 Å²	137.4	70%	0.699	67%	0.673	S	S	*	*			trans	-46.8	127.2	151.5	42.9	0	0	0	0	107	H25 I29	H25-T27 PolarHBondContact O-N 2.93Å; T27-I29 PolarHBondContact O-N 2.87Å
28	P	38.2	Very low	52.2	Low	115 Å²	115	128.3 Å²	128.3	75%	0.747	63%	0.628	S	S	*	*			trans	-65	107.8	178.5	25.1	-32	0	0	0	107.3	R30	P28-R30 PolarHBondContact O-N 2.88Å
29	I	40.1	Very low	55.1	Low	141 Å²	141	126.4 Å²	126.4	72%	0.723	61%	0.606	S	S	*	*			trans	-53.2	115.1	168.2	-68.1	176	0	0	0	105.2	T27 H31	T27-I29 PolarHBondContact O-N 2.87Å; I29-H31 PolarHBondContact O-N 2.77Å
30	R	46.1	Very low	57.7	Low	229 Å²	229	114.6 Å²	114.6	86%	0.864	56%	0.561	S	S	*	*			trans	-70.7	83.3	-176.9	-69.1	-174.9	-179.1	-176.3	0.9	108.6	P28 I32	P28-R30 PolarHBondContact O-N 2.88Å; R30-I32 VanDerWaalsContact C-N 3.3Å; R30-I32 PolarHBondContact O-N 2.78Å
31	H	41.7	Very low	60.6	Low	145 Å²	145	108.8 Å²	108.8	67%	0.671	53%	0.533	S	S	*	.			trans	-55.3	101.7	155.6	-97.2	-102.9	0	0	0	107.3	I29 D33	I29-H31 PolarHBondContact O-N 2.77Å; H31-D33 IonicContact CG-OD1 2.65Å; H31-D33 IonicContact ND1-OD1 3.6Å; H31-D33 PolarHBondContact ND1-OD1 2.65Å; H31-D33 PolarHBondContact O-N 3Å
32	I	52	Low	63.4	Low	154 Å²	154	104.6 Å²	104.6	79%	0.79	50%	0.502	S	S	*	.			trans	-75.8	66.7	163.5	-53.4	174	0	0	0	105.4	R30 N34	R30-I32 VanDerWaalsContact C-N 3.3Å; R30-I32 PolarHBondContact O-N 2.78Å; I32-N34 PolarHBondContact O-N 2.66Å
33	D	58.2	Low	66	Low	96 Å²	96	102.1 Å²	102.1	51%	0.513	49%	0.49	S	S	.	.			trans	-62.3	112.8	172.5	-73.1	-21.1	0	0	0	105.8	H31 T35	H31-D33 IonicContact CG-OD1 2.65Å; H31-D33 IonicContact ND1-OD1 3.6Å; H31-D33 PolarHBondContact ND1-OD1 2.65Å; H31-D33 PolarHBondContact O-N 3Å; D33-T35 PolarHBondContact O-N 3.12Å
34	N	80.4	Confident	68.3	Low	64 Å²	64	98.8 Å²	98.8	34%	0.342	49%	0.49	S	S	.	.	S	Bend	trans	-69.8	26.2	-179.9	-173.7	32.7	0	0	0	111.8	I32 K52 R53 N54	I32-N34 PolarHBondContact O-N 2.66Å; N34-K52 CarbonylContact O-C 3.59Å; N34-K52 WeakPolarHBondContact O-CA 3.19Å; N34-R53 PolarHBondContact O-N 3.42Å; N34-R53 WeakPolarHBondContact OD1-CB 3.21Å; N34-N54 WeakPolarHBondContact OD1-CB 3.21Å; N34-N54 PolarHBondContact OD1-N 3.29Å
35	T	86.1	Confident	71.1	Confident	74 Å²	74	95.7 Å²	95.7	45%	0.454	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	122	-176.7	-52.3	0	0	0	0	108.3	D33 L51	D33-T35 PolarHBondContact O-N 3.12Å; T35-L51 CarbonylContact C-O 3.48Å; T35-L51 VanDerWaalsContact CA-O 3.28Å; T35-L51 WeakPolarHBondContact CA-O 3.43Å
36	V	90.7	Very high	73.8	Confident	0 Å²	0	94.1 Å²	94.1	0%	0	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	136.5	166.2	165.4	0	0	0	0	108.4	V38 L51 R53 V101 A104 L108	V36-V38 HydrophobicContact CG1-CG2 4.44Å; V36-V38 PolarHBondContact O-N 2.88Å; V36-L51 PolarHBondContact N-O 2.95Å; V36-L51 PolarHBondContact O-N 3.41Å; V36-R53 HydrophobicContact CG2-CG 3.7Å; V36-V101 HydrophobicContact CG2-CG1 4.22Å; V36-A104 HydrophobicContact CG1-CB 3.68Å; V36-A104 HydrophobicContact CG2-CB 4.11Å; V36-L108 HydrophobicContact CG1-CB 3.49Å; V36-L108 VanDerWaalsContact CG1-CB 3.49Å
37	E	94.3	Very high	76.6	Confident	80 Å²	80	87.6 Å²	87.6	37%	0.374	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	118	168.2	-168.8	-179	-149	0	0	108.9	R48 P106 V107 L108	E37-R48 VanDerWaalsContact CD-CZ 3.42Å; E37-R48 IonicContact OE1-CZ 3.09Å; E37-R48 IonicContact OE1-NH1 2.66Å; E37-R48 PolarHBondContact OE1-NH1 2.9Å; E37-R48 IonicContact OE1-NH2 3.12Å; E37-R48 PolarHBondContact OE1-NH2 2.99Å; E37-R48 VanDerWaalsContact OE1-NH2 3.12Å; E37-R48 IonicContact OE2-CZ 3.48Å; E37-R48 IonicContact OE2-NH1 3.62Å; E37-R48 IonicContact OE2-NH2 2.65Å; E37-R48 PolarHBondContact OE2-NH2 2.76Å; E37-P106 PolarHBondContact N-O 3Å; E37-V107 HydrophobicContact CB-CG2 4.47Å; E37-V107 CarbonylContact O-C 3.53Å; E37-V107 WeakPolarHBondContact O-CA 3.15Å; E37-V107 WeakPolarHBondContact O-CG1 3.34Å; E37-V107 WeakPolarHBondContact OE2-CG2 3.38Å; E37-L108 PolarHBondContact O-N 3.34Å
38	V	95.8	Very high	79.4	Confident	0 Å²	0	88.5 Å²	88.5	0%	0	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	131.6	175.5	-174.7	0	0	0	0	109	V36 R48 F49 L51 L108 I110	V36-V38 HydrophobicContact CG1-CG2 4.44Å; V36-V38 PolarHBondContact O-N 2.88Å; V38-R48 WeakPolarHBondContact O-CA 3.46Å; V38-F49 HydrophobicContact CB-CD1 4.16Å; V38-F49 HydrophobicContact CB-CD2 4.16Å; V38-F49 HydrophobicContact CB-CE1 3.87Å; V38-F49 HydrophobicContact CB-CE2 3.87Å; V38-F49 HydrophobicContact CB-CG 4.3Å; V38-F49 HydrophobicContact CB-CZ 3.73Å; V38-F49 HydrophobicContact CG1-CD1 4.4Å; V38-F49 HydrophobicContact CG1-CE1 3.69Å; V38-F49 HydrophobicContact CG1-CE2 4.24Å; V38-F49 HydrophobicContact CG1-CZ 3.6Å; V38-F49 HydrophobicContact CG2-CD2 4.23Å; V38-F49 HydrophobicContact CG2-CE2 3.77Å; V38-F49 HydrophobicContact CG2-CZ 4Å; V38-F49 PolarHBondContact N-O 2.75Å; V38-F49 PolarHBondContact O-N 2.64Å; V38-F49 VanDerWaalsContact O-N 3.14Å; V38-L51 HydrophobicContact CG2-CB 3.56Å; V38-L51 HydrophobicContact CG2-CD2 4.02Å; V38-L51 HydrophobicContact CG2-CG 4.42Å; V38-L108 CarbonylContact C-O 3.55Å; V38-L108 WeakPolarHBondContact CA-O 3.47Å; V38-L108 HydrophobicContact CG2-CB 4.39Å; V38-L108 HydrophobicContact CG2-CD2 4.42Å; V38-I110 HydrophobicContact CG1-CD1 3.8Å; V38-I110 HydrophobicContact CG1-CG1 4.35Å
39	K	96.6	Very high	82.1	Confident	72 Å²	72	84.9 Å²	84.9	31%	0.313	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	99.6	163.7	180	171.9	179.3	171.2	0	108.2	Y46 R48 V107 L108 R109 I110	K39-Y46 HydrophobicContact CD-CD1 4.48Å; K39-Y46 HydrophobicContact CG-CD1 4.37Å; K39-R48 HydrophobicContact CB-CG 4.42Å; K39-R48 HydrophobicContact CG-CG 4.24Å; K39-V107 HydrophobicContact CB-CG1 3.73Å; K39-L108 PolarHBondContact N-O 2.75Å; K39-R109 WeakPolarHBondContact O-CA 3.35Å; K39-I110 PolarHBondContact O-N 2.65Å
40	S	97	Very high	84.6	Confident	0 Å²	0	80.8 Å²	80.8	0%	0	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	140.2	178	-177.4	0	0	0	0	110.9	Y46 R47 H70 I110 I112	S40-Y46 WeakPolarHBondContact O-CA 3.48Å; S40-R47 PolarHBondContact N-O 3.03Å; S40-R47 PolarHBondContact O-N 3.26Å; S40-H70 WeakPolarHBondContact CB-NE2 3.49Å; S40-H70 PolarHBondContact OG-NE2 3.18Å; S40-I110 CarbonylContact C-O 3.57Å; S40-I110 WeakPolarHBondContact CA-O 3.42Å; S40-I112 WeakPolarHBondContact OG-CD1 3.17Å
41	K	96.5	Very high	86.7	Confident	61 Å²	61	70 Å²	70	27%	0.265	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	130.9	178.4	-177.2	-170.6	-174.3	-94.1	0	110	E43 E45 Y46 I110 I112	K41-E43 WeakPolarHBondContact CE-O 3.37Å; K41-E43 PolarHBondContact NZ-O 2.92Å; K41-E45 VanDerWaalsContact CA-O 3.3Å; K41-E45 WeakPolarHBondContact CA-O 3.3Å; K41-E45 WeakPolarHBondContact CG-O 3.5Å; K41-Y46 HydrophobicContact CB-CD1 3.74Å; K41-Y46 HydrophobicContact CB-CE1 3.65Å; K41-Y46 HydrophobicContact CD-CD1 4.43Å; K41-Y46 HydrophobicContact CD-CE1 3.59Å; K41-Y46 HydrophobicContact CD-CE2 4.36Å; K41-Y46 WeakPolarHBondContact CD-OH 3.39Å; K41-Y46 WeakPolarHBondContact CE-OH 3.39Å; K41-Y46 HydrophobicContact CG-CD1 3.89Å; K41-Y46 HydrophobicContact CG-CE1 3.55Å; K41-Y46 HydrophobicContact CG-CE2 4.28Å; K41-Y46 HydrophobicContact CG-CG 4.42Å; K41-I110 PolarHBondContact N-O 3.13Å; K41-I112 WeakPolarHBondContact O-CB 3.29Å; K41-I112 PolarHBondContact O-N 2.88Å
42	F	94.1	Very high	88.9	Confident	16 Å²	16	69.4 Å²	69.4	7%	0.07	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	126.2	168.7	178.6	-111.6	0	0	0	108.5	A44 E45 H70 I72 V77 I112 K114	F42-A44 PolarHBondContact O-N 2.92Å; F42-E45 PolarHBondContact N-O 2.72Å; F42-E45 WeakPolarHBondContact O-CA 3.43Å; F42-E45 WeakPolarHBondContact O-CB 3.32Å; F42-E45 PolarHBondContact O-N 2.9Å; F42-H70 HydrophobicContact CB-CB 4.49Å; F42-I72 HydrophobicContact CD1-CG2 3.88Å; F42-I72 HydrophobicContact CD2-CD1 4.31Å; F42-I72 HydrophobicContact CE1-CG2 3.41Å; F42-I72 VanDerWaalsContact CE1-CG2 3.41Å; F42-I72 HydrophobicContact CE2-CD1 4.26Å; F42-I72 HydrophobicContact CE2-CG2 4.29Å; F42-I72 HydrophobicContact CG-CG2 4.49Å; F42-I72 HydrophobicContact CZ-CG2 3.62Å; F42-V77 HydrophobicContact CE2-CG1 4.27Å; F42-I112 HydrophobicContact CB-CB 4.22Å; F42-I112 HydrophobicContact CD2-CB 3.83Å; F42-I112 HydrophobicContact CD2-CG2 3.59Å; F42-I112 HydrophobicContact CE2-CG2 4.16Å; F42-K114 HydrophobicContact CE2-CG 3.94Å; F42-K114 HydrophobicContact CZ-CD 4.45Å; F42-K114 HydrophobicContact CZ-CG 3.92Å
43	E	88.3	Confident	90.4	Very high	111 Å²	111	66.1 Å²	66.1	52%	0.519	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.8	-101.8	-175	-61.6	-175	178.3	0	0	113.9	K41 K114	K41-E43 WeakPolarHBondContact CE-O 3.37Å; K41-E43 PolarHBondContact NZ-O 2.92Å; E43-K114 WeakPolarHBondContact OE1-CE 3Å; E43-K114 IonicContact OE1-NZ 3.89Å; E43-K114 PolarHBondContact OE1-NZ 2.93Å
44	A	89.8	Confident	91.1	Very high	90 Å²	90	67.2 Å²	67.2	74%	0.744	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.5	-13	174	0	0	0	0	0	113.7	F42	F42-A44 PolarHBondContact O-N 2.92Å
45	E	94	Very high	90.4	Very high	78 Å²	78	68.2 Å²	68.2	36%	0.364	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	149.1	-176.9	-175.2	166	-167.3	0	0	112.3	K41 F42 R47	K41-E45 VanDerWaalsContact CA-O 3.3Å; K41-E45 WeakPolarHBondContact CA-O 3.3Å; K41-E45 WeakPolarHBondContact CG-O 3.5Å; F42-E45 PolarHBondContact N-O 2.72Å; F42-E45 WeakPolarHBondContact O-CA 3.43Å; F42-E45 WeakPolarHBondContact O-CB 3.32Å; F42-E45 PolarHBondContact O-N 2.9Å; E45-R47 HydrophobicContact CG-CG 4.4Å; E45-R47 IonicContact OE1-CZ 3.73Å; E45-R47 IonicContact OE1-NE 3.53Å; E45-R47 PolarHBondContact OE1-NE 2.71Å; E45-R47 IonicContact OE1-NH2 2.7Å; E45-R47 PolarHBondContact OE1-NH2 3.14Å; E45-R47 IonicContact OE2-NH2 2.66Å
46	Y	95.6	Very high	89.5	Confident	128 Å²	128	68 Å²	68	50%	0.502	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	125.9	174.3	-71	-88.8	0	0	0	110.4	K39 S40 K41	K39-Y46 HydrophobicContact CD-CD1 4.48Å; K39-Y46 HydrophobicContact CG-CD1 4.37Å; S40-Y46 WeakPolarHBondContact O-CA 3.48Å; K41-Y46 HydrophobicContact CB-CD1 3.74Å; K41-Y46 HydrophobicContact CB-CE1 3.65Å; K41-Y46 HydrophobicContact CD-CD1 4.43Å; K41-Y46 HydrophobicContact CD-CE1 3.59Å; K41-Y46 HydrophobicContact CD-CE2 4.36Å; K41-Y46 WeakPolarHBondContact CD-OH 3.39Å; K41-Y46 WeakPolarHBondContact CE-OH 3.39Å; K41-Y46 HydrophobicContact CG-CD1 3.89Å; K41-Y46 HydrophobicContact CG-CE1 3.55Å; K41-Y46 HydrophobicContact CG-CE2 4.28Å; K41-Y46 HydrophobicContact CG-CG 4.42Å
47	R	96.8	Very high	88.7	Confident	72 Å²	72	69.4 Å²	69.4	27%	0.272	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	145.6	172.6	-64.6	-172.1	178.4	-146.9	-0.6	110.3	S40 E45 I69 H71	S40-R47 PolarHBondContact N-O 3.03Å; S40-R47 PolarHBondContact O-N 3.26Å; E45-R47 HydrophobicContact CG-CG 4.4Å; E45-R47 IonicContact OE1-CZ 3.73Å; E45-R47 IonicContact OE1-NE 3.53Å; E45-R47 PolarHBondContact OE1-NE 2.71Å; E45-R47 IonicContact OE1-NH2 2.7Å; E45-R47 PolarHBondContact OE1-NH2 3.14Å; E45-R47 IonicContact OE2-NH2 2.66Å; R47-I69 HydrophobicContact CB-CG2 3.92Å; R47-I69 WeakPolarHBondContact CD-O 3.36Å; R47-I69 HydrophobicContact CG-CG2 4.39Å; R47-I69 PolarHBondContact NE-O 2.91Å; R47-I69 PolarHBondContact NH1-O 3.4Å; R47-H71 PolarHBondContact NH1-CE1 2.66Å; R47-H71 PolarHBondContact NH1-NE2 3.5Å
48	R	96	Very high	88.4	Confident	132 Å²	132	66.3 Å²	66.3	50%	0.498	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	136.2	-179	-50.5	-172.3	83.4	-135.6	1.1	110.4	E37 V38 K39	E37-R48 VanDerWaalsContact CD-CZ 3.42Å; E37-R48 IonicContact OE1-CZ 3.09Å; E37-R48 IonicContact OE1-NH1 2.66Å; E37-R48 PolarHBondContact OE1-NH1 2.9Å; E37-R48 IonicContact OE1-NH2 3.12Å; E37-R48 PolarHBondContact OE1-NH2 2.99Å; E37-R48 VanDerWaalsContact OE1-NH2 3.12Å; E37-R48 IonicContact OE2-CZ 3.48Å; E37-R48 IonicContact OE2-NH1 3.62Å; E37-R48 IonicContact OE2-NH2 2.65Å; E37-R48 PolarHBondContact OE2-NH2 2.76Å; V38-R48 WeakPolarHBondContact O-CA 3.46Å; K39-R48 HydrophobicContact CB-CG 4.42Å; K39-R48 HydrophobicContact CG-CG 4.24Å
49	F	94.8	Very high	88.2	Confident	39 Å²	39	67.8 Å²	67.8	17%	0.171	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	160.5	-178.6	60.6	-86.9	0	0	0	111.2	V38 L51 F62 L65 L66 I69	V38-F49 HydrophobicContact CB-CD1 4.16Å; V38-F49 HydrophobicContact CB-CD2 4.16Å; V38-F49 HydrophobicContact CB-CE1 3.87Å; V38-F49 HydrophobicContact CB-CE2 3.87Å; V38-F49 HydrophobicContact CB-CG 4.3Å; V38-F49 HydrophobicContact CB-CZ 3.73Å; V38-F49 HydrophobicContact CG1-CD1 4.4Å; V38-F49 HydrophobicContact CG1-CE1 3.69Å; V38-F49 HydrophobicContact CG1-CE2 4.24Å; V38-F49 HydrophobicContact CG1-CZ 3.6Å; V38-F49 HydrophobicContact CG2-CD2 4.23Å; V38-F49 HydrophobicContact CG2-CE2 3.77Å; V38-F49 HydrophobicContact CG2-CZ 4Å; V38-F49 PolarHBondContact N-O 2.75Å; V38-F49 PolarHBondContact O-N 2.64Å; V38-F49 VanDerWaalsContact O-N 3.14Å; F49-L51 HydrophobicContact CE2-CB 4.32Å; F49-F62 HydrophobicContact CE2-CE2 4.35Å; F49-F62 HydrophobicContact CZ-CE2 4.21Å; F49-L65 HydrophobicContact CE2-CD2 3.94Å; F49-L65 HydrophobicContact CZ-CD2 4.43Å; F49-L66 HydrophobicContact CE1-CD2 3.82Å; F49-L66 HydrophobicContact CZ-CD2 3.74Å; F49-I69 HydrophobicContact CD1-CD1 3.62Å; F49-I69 HydrophobicContact CD1-CG2 4.48Å; F49-I69 HydrophobicContact CD2-CD1 4.14Å; F49-I69 HydrophobicContact CE1-CD1 3.6Å; F49-I69 HydrophobicContact CE1-CG2 4.42Å; F49-I69 HydrophobicContact CE2-CD1 4.12Å; F49-I69 HydrophobicContact CG-CD1 3.9Å; F49-I69 HydrophobicContact CZ-CD1 3.85Å
50	G	91.6	Very high	88	Confident	55 Å²	55	68.9 Å²	68.9	57%	0.567	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.2	131.7	171.6	0	0	0	0	0	111.4
51	L	90.7	Very high	87.7	Confident	3 Å²	3	73.9 Å²	73.9	2%	0.016	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	127	175.8	179.5	72.5	0	0	0	109	T35 V36 V38 F49 F56 F62 F97 V101	T35-L51 CarbonylContact C-O 3.48Å; T35-L51 VanDerWaalsContact CA-O 3.28Å; T35-L51 WeakPolarHBondContact CA-O 3.43Å; V36-L51 PolarHBondContact N-O 2.95Å; V36-L51 PolarHBondContact O-N 3.41Å; V38-L51 HydrophobicContact CG2-CB 3.56Å; V38-L51 HydrophobicContact CG2-CD2 4.02Å; V38-L51 HydrophobicContact CG2-CG 4.42Å; F49-L51 HydrophobicContact CE2-CB 4.32Å; L51-F56 HydrophobicContact CD1-CB 4.27Å; L51-F56 HydrophobicContact CD1-CD1 3.99Å; L51-F56 HydrophobicContact CD1-CD2 3.48Å; L51-F56 VanDerWaalsContact CD1-CD2 3.48Å; L51-F56 HydrophobicContact CD1-CE1 4.27Å; L51-F56 HydrophobicContact CD1-CE2 3.78Å; L51-F56 HydrophobicContact CD1-CG 3.6Å; L51-F56 HydrophobicContact CD1-CZ 4.18Å; L51-F62 HydrophobicContact CD1-CD2 4.09Å; L51-F62 HydrophobicContact CD1-CE2 3.97Å; L51-F62 HydrophobicContact CD2-CD2 4.25Å; L51-F62 HydrophobicContact CD2-CE2 3.67Å; L51-F62 HydrophobicContact CD2-CZ 4.23Å; L51-F62 HydrophobicContact CG-CE2 4.43Å; L51-F97 HydrophobicContact CD2-CE2 4.16Å; L51-F97 HydrophobicContact CD2-CZ 4.32Å; L51-V101 HydrophobicContact CD2-CG2 3.73Å
52	K	87.8	Confident	87.6	Confident	133 Å²	133	71 Å²	71	58%	0.578	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.9	136	177.5	-71.8	-179.4	-179.4	177.4	0	111	N34	N34-K52 CarbonylContact O-C 3.59Å; N34-K52 WeakPolarHBondContact O-CA 3.19Å
53	R	83.1	Confident	87.6	Confident	84 Å²	84	71.6 Å²	71.6	32%	0.317	38%	0.381	S	S	.	.	S	Bend	trans	-68.2	-50.5	175.9	-68.2	-179	-177.4	-92.1	-0.4	110.4	N34 V36 V101 A104	N34-R53 PolarHBondContact O-N 3.42Å; N34-R53 WeakPolarHBondContact OD1-CB 3.21Å; V36-R53 HydrophobicContact CG2-CG 3.7Å; R53-V101 HydrophobicContact CG-CG1 4.3Å; R53-V101 PolarHBondContact NH1-O 3.37Å; R53-A104 PolarHBondContact NH2-O 2.87Å
54	N	72.9	Confident	87.7	Confident	120 Å²	120	70.4 Å²	70.4	64%	0.642	38%	0.375	S	S	*	.	S	Bend	trans	-98.1	126.8	177.9	-59.8	-2	0	0	0	110.1	N34	N34-N54 WeakPolarHBondContact OD1-CB 3.21Å; N34-N54 PolarHBondContact OD1-N 3.29Å
55	G	67.2	Low	87.9	Confident	84 Å²	84	68.4 Å²	68.4	87%	0.866	35%	0.352	S	S	*	.	S	Bend	trans	88.6	22.6	172	0	0	0	0	0	115.9
56	F	66.9	Low	87.9	Confident	71 Å²	71	64.8 Å²	64.8	31%	0.311	34%	0.335	S	S	.	.			trans	-86.3	160.3	158.4	-160.1	-94.5	0	0	0	110.2	L51 E61 F62 L65 F97	L51-F56 HydrophobicContact CD1-CB 4.27Å; L51-F56 HydrophobicContact CD1-CD1 3.99Å; L51-F56 HydrophobicContact CD1-CD2 3.48Å; L51-F56 VanDerWaalsContact CD1-CD2 3.48Å; L51-F56 HydrophobicContact CD1-CE1 4.27Å; L51-F56 HydrophobicContact CD1-CE2 3.78Å; L51-F56 HydrophobicContact CD1-CG 3.6Å; L51-F56 HydrophobicContact CD1-CZ 4.18Å; F56-E61 HydrophobicContact CE1-CB 4.19Å; F56-F62 HydrophobicContact CD1-CB 4.44Å; F56-F62 HydrophobicContact CD1-CD2 4.42Å; F56-F62 HydrophobicContact CE1-CB 3.82Å; F56-F62 AromaticContact CE1-CD2 3.9Å; F56-F62 HydrophobicContact CE1-CD2 3.9Å; F56-F62 HydrophobicContact CE1-CG 4.37Å; F56-F62 HydrophobicContact CZ-CD2 4.37Å; F56-L65 HydrophobicContact CE2-CD2 3.78Å; F56-L65 HydrophobicContact CZ-CB 4.19Å; F56-L65 HydrophobicContact CZ-CD2 3.53Å; F56-L65 HydrophobicContact CZ-CG 4.44Å; F56-F97 HydrophobicContact CD1-CE1 4.33Å; F56-F97 AromaticContact CD1-CZ 3.81Å; F56-F97 HydrophobicContact CD1-CZ 3.81Å
57	G	73.7	Confident	87.8	Confident	28 Å²	28	59.6 Å²	59.6	29%	0.289	32%	0.315	S	S	.	.			trans	-69.9	-172.1	176.3	0	0	0	0	0	113.4	F97	G57-F97 VanDerWaalsContact O-CE1 3.26Å; G57-F97 WeakPolarHBondContact O-CE1 3.49Å
58	G	88.3	Confident	87.6	Confident	15 Å²	15	60.3 Å²	60.3	16%	0.155	32%	0.324	C	S	.	.			trans	-73.6	-169.7	176.9	0	0	0	0	0	113.5	Q60 E61 F62 D94	G58-Q60 PolarHBondContact O-N 3.3Å; G58-E61 WeakPolarHBondContact CA-OE2 3Å; G58-E61 PolarHBondContact N-OE2 3.1Å; G58-E61 PolarHBondContact O-N 2.82Å; G58-F62 PolarHBondContact O-N 3.25Å; G58-F62 VanDerWaalsContact O-N 3.11Å; G58-D94 WeakPolarHBondContact CA-OD1 3.42Å
59	F	91.3	Very high	87.6	Confident	31 Å²	31	55.7 Å²	55.7	14%	0.136	31%	0.309	C	S	.	.	H	α-helix	trans	-55.3	-39.1	174.9	167	-111.1	0	0	0	112	F62 Y63 L79 I91 D94 F97	F59-F62 PolarHBondContact O-N 2.93Å; F59-Y63 HydrophobicContact CE2-CD2 4.48Å; F59-Y63 HydrophobicContact CZ-CD2 4.06Å; F59-Y63 VanDerWaalsContact O-CB 3.29Å; F59-Y63 WeakPolarHBondContact O-CB 3.43Å; F59-Y63 PolarHBondContact O-N 2.94Å; F59-L79 HydrophobicContact CE2-CD1 4.04Å; F59-I91 HydrophobicContact CD2-CG2 3.56Å; F59-I91 HydrophobicContact CE2-CB 4.34Å; F59-I91 HydrophobicContact CE2-CG2 3.78Å; F59-I91 WeakPolarHBondContact CE2-O 3.28Å; F59-D94 WeakPolarHBondContact CB-OD1 3.17Å; F59-D94 PolarHBondContact N-OD1 2.8Å; F59-F97 HydrophobicContact CB-CB 4.3Å
60	Q	91.5	Very high	87.5	Confident	96 Å²	96	54.2 Å²	54.2	45%	0.449	30%	0.303	S	S	.	.	H	α-helix	trans	-69	-42.7	-175.9	-165.3	64	41.7	0	0	112.2	G58 F62 Y63 H64	G58-Q60 PolarHBondContact O-N 3.3Å; Q60-F62 VanDerWaalsContact C-N 3.29Å; Q60-F62 PolarHBondContact O-N 3.15Å; Q60-Y63 PolarHBondContact O-N 2.99Å; Q60-H64 PolarHBondContact NE2-CE1 2.92Å; Q60-H64 VanDerWaalsContact NE2-CE1 3.26Å; Q60-H64 PolarHBondContact NE2-NE2 3.47Å; Q60-H64 VanDerWaalsContact O-CG 3.31Å; Q60-H64 PolarHBondContact O-N 2.88Å; Q60-H64 PolarHBondContact O-ND1 2.78Å
61	E	92.1	Very high	87.6	Confident	105 Å²	105	57.3 Å²	57.3	49%	0.491	30%	0.302	S	S	.	.	H	α-helix	trans	-63.7	-36.6	172.7	-66.1	87.1	161.8	0	0	111.5	F56 G58 L65	F56-E61 HydrophobicContact CE1-CB 4.19Å; G58-E61 WeakPolarHBondContact CA-OE2 3Å; G58-E61 PolarHBondContact N-OE2 3.1Å; G58-E61 PolarHBondContact O-N 2.82Å; E61-L65 WeakPolarHBondContact O-CB 3.44Å; E61-L65 PolarHBondContact O-N 3.05Å
62	F	93.2	Very high	87.6	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-71.5	-38.7	178	-170.7	-116.2	0	0	0	112.8	F49 L51 F56 G58 F59 Q60 L65 L66 I91 F97 I110	F49-F62 HydrophobicContact CE2-CE2 4.35Å; F49-F62 HydrophobicContact CZ-CE2 4.21Å; L51-F62 HydrophobicContact CD1-CD2 4.09Å; L51-F62 HydrophobicContact CD1-CE2 3.97Å; L51-F62 HydrophobicContact CD2-CD2 4.25Å; L51-F62 HydrophobicContact CD2-CE2 3.67Å; L51-F62 HydrophobicContact CD2-CZ 4.23Å; L51-F62 HydrophobicContact CG-CE2 4.43Å; F56-F62 HydrophobicContact CD1-CB 4.44Å; F56-F62 HydrophobicContact CD1-CD2 4.42Å; F56-F62 HydrophobicContact CE1-CB 3.82Å; F56-F62 AromaticContact CE1-CD2 3.9Å; F56-F62 HydrophobicContact CE1-CD2 3.9Å; F56-F62 HydrophobicContact CE1-CG 4.37Å; F56-F62 HydrophobicContact CZ-CD2 4.37Å; G58-F62 PolarHBondContact O-N 3.25Å; G58-F62 VanDerWaalsContact O-N 3.11Å; F59-F62 PolarHBondContact O-N 2.93Å; Q60-F62 VanDerWaalsContact C-N 3.29Å; Q60-F62 PolarHBondContact O-N 3.15Å; F62-L65 HydrophobicContact CD2-CD2 4.43Å; F62-L65 PolarHBondContact O-N 3.08Å; F62-L66 HydrophobicContact CD1-CD1 4.1Å; F62-L66 HydrophobicContact CE1-CD1 3.64Å; F62-L66 HydrophobicContact CE1-CG 4.33Å; F62-L66 HydrophobicContact CZ-CD1 3.93Å; F62-L66 HydrophobicContact CZ-CG 4.24Å; F62-L66 WeakPolarHBondContact O-CG 3.38Å; F62-L66 PolarHBondContact O-N 3.13Å; F62-I91 HydrophobicContact CE1-CD1 4.33Å; F62-F97 HydrophobicContact CB-CD2 4.02Å; F62-F97 HydrophobicContact CB-CE2 3.72Å; F62-F97 HydrophobicContact CB-CZ 4.12Å; F62-F97 AromaticContact CD1-CD2 3.48Å; F62-F97 HydrophobicContact CD1-CD2 3.48Å; F62-F97 VanDerWaalsContact CD1-CD2 3.48Å; F62-F97 AromaticContact CD1-CE2 3.47Å; F62-F97 HydrophobicContact CD1-CE2 3.47Å; F62-F97 VanDerWaalsContact CD1-CE2 3.47Å; F62-F97 HydrophobicContact CD2-CD2 4.44Å; F62-F97 AromaticContact CD2-CE2 3.6Å; F62-F97 HydrophobicContact CD2-CE2 3.6Å; F62-F97 HydrophobicContact CD2-CZ 4.19Å; F62-F97 AromaticContact CE1-CD2 4Å; F62-F97 HydrophobicContact CE1-CD2 4Å; F62-F97 AromaticContact CE1-CE2 3.9Å; F62-F97 HydrophobicContact CE1-CE2 3.9Å; F62-F97 HydrophobicContact CE2-CE2 4.06Å; F62-F97 AromaticContact CG-CD2 3.72Å; F62-F97 HydrophobicContact CG-CD2 3.72Å; F62-F97 AromaticContact CG-CE2 3.29Å; F62-F97 HydrophobicContact CG-CE2 3.29Å; F62-F97 HydrophobicContact CG-CZ 4.06Å; F62-F97 HydrophobicContact CZ-CE2 4.18Å; F62-I110 HydrophobicContact CE1-CD1 3.51Å; F62-I110 HydrophobicContact CZ-CD1 3.39Å
63	Y	93.3	Very high	87.4	Confident	29 Å²	29	57 Å²	57	11%	0.114	30%	0.303	C	S	.	.	H	α-helix	trans	-60.4	-50.5	172.9	-178.5	-88.3	0	0	0	110.8	F59 Q60 L65 L66 Q67 V77 L79	F59-Y63 HydrophobicContact CE2-CD2 4.48Å; F59-Y63 HydrophobicContact CZ-CD2 4.06Å; F59-Y63 VanDerWaalsContact O-CB 3.29Å; F59-Y63 WeakPolarHBondContact O-CB 3.43Å; F59-Y63 PolarHBondContact O-N 2.94Å; Q60-Y63 PolarHBondContact O-N 2.99Å; Y63-L65 PolarHBondContact O-N 2.84Å; Y63-L66 PolarHBondContact O-N 2.85Å; Y63-Q67 HydrophobicContact CD1-CG 4.29Å; Y63-Q67 HydrophobicContact CE1-CG 3.99Å; Y63-Q67 PolarHBondContact O-N 3.41Å; Y63-V77 HydrophobicContact CE2-CG2 3.67Å; Y63-V77 WeakPolarHBondContact CE2-O 3.42Å; Y63-V77 PolarHBondContact OH-N 2.89Å; Y63-V77 VanDerWaalsContact OH-N 3.12Å; Y63-L79 HydrophobicContact CD2-CD1 3.7Å; Y63-L79 HydrophobicContact CD2-CG 4.11Å; Y63-L79 HydrophobicContact CE2-CG 4.49Å; Y63-L79 HydrophobicContact CG-CD1 4.45Å
64	H	92.4	Very high	87.3	Confident	85 Å²	85	57 Å²	57	39%	0.394	33%	0.33	S	S	.	.	H	α-helix	trans	-62.7	-38.8	174.9	-64.4	139.6	0	0	0	112.6	Q60 L66 Q67 N68	Q60-H64 PolarHBondContact NE2-CE1 2.92Å; Q60-H64 VanDerWaalsContact NE2-CE1 3.26Å; Q60-H64 PolarHBondContact NE2-NE2 3.47Å; Q60-H64 VanDerWaalsContact O-CG 3.31Å; Q60-H64 PolarHBondContact O-N 2.88Å; Q60-H64 PolarHBondContact O-ND1 2.78Å; H64-L66 VanDerWaalsContact C-N 3.34Å; H64-L66 PolarHBondContact O-N 3.12Å; H64-Q67 PolarHBondContact O-N 2.82Å; H64-N68 WeakPolarHBondContact O-CB 3.21Å; H64-N68 PolarHBondContact O-N 2.89Å; H64-N68 PolarHBondContact O-OD1 2.8Å
65	L	93.3	Very high	87.8	Confident	49 Å²	49	53.9 Å²	53.9	26%	0.257	32%	0.315	S	S	.	.	H	α-helix	trans	-59.1	-45.4	174.4	177.6	64.3	0	0	0	111.1	F49 F56 E61 F62 Y63 N68 I69	F49-L65 HydrophobicContact CE2-CD2 3.94Å; F49-L65 HydrophobicContact CZ-CD2 4.43Å; F56-L65 HydrophobicContact CE2-CD2 3.78Å; F56-L65 HydrophobicContact CZ-CB 4.19Å; F56-L65 HydrophobicContact CZ-CD2 3.53Å; F56-L65 HydrophobicContact CZ-CG 4.44Å; E61-L65 WeakPolarHBondContact O-CB 3.44Å; E61-L65 PolarHBondContact O-N 3.05Å; F62-L65 HydrophobicContact CD2-CD2 4.43Å; F62-L65 PolarHBondContact O-N 3.08Å; Y63-L65 PolarHBondContact O-N 2.84Å; L65-N68 PolarHBondContact O-N 3.41Å; L65-I69 HydrophobicContact CD1-CD1 3.74Å; L65-I69 HydrophobicContact CD1-CG1 4.06Å; L65-I69 HydrophobicContact CD2-CD1 4.34Å; L65-I69 HydrophobicContact CG-CD1 3.77Å; L65-I69 HydrophobicContact CG-CG1 4.38Å; L65-I69 VanDerWaalsContact O-CB 3.25Å; L65-I69 WeakPolarHBondContact O-CB 3.46Å; L65-I69 VanDerWaalsContact O-CG1 3.24Å; L65-I69 WeakPolarHBondContact O-CG1 3.3Å; L65-I69 PolarHBondContact O-N 3Å
66	L	93.9	Very high	88.6	Confident	2 Å²	2	55.3 Å²	55.3	1%	0.01	30%	0.299	C	S	.	.	H	α-helix	trans	-66.7	-37.9	177.2	-73.7	177	0	0	0	112.5	F49 F62 Y63 H64 I69 H70 L79 I110 I112	F49-L66 HydrophobicContact CE1-CD2 3.82Å; F49-L66 HydrophobicContact CZ-CD2 3.74Å; F62-L66 HydrophobicContact CD1-CD1 4.1Å; F62-L66 HydrophobicContact CE1-CD1 3.64Å; F62-L66 HydrophobicContact CE1-CG 4.33Å; F62-L66 HydrophobicContact CZ-CD1 3.93Å; F62-L66 HydrophobicContact CZ-CG 4.24Å; F62-L66 WeakPolarHBondContact O-CG 3.38Å; F62-L66 PolarHBondContact O-N 3.13Å; Y63-L66 PolarHBondContact O-N 2.85Å; H64-L66 VanDerWaalsContact C-N 3.34Å; H64-L66 PolarHBondContact O-N 3.12Å; L66-I69 PolarHBondContact O-N 3.16Å; L66-H70 PolarHBondContact O-CD2 3Å; L66-H70 PolarHBondContact O-N 3.46Å; L66-L79 HydrophobicContact CD1-CD1 3.81Å; L66-L79 HydrophobicContact CD1-CD2 3.89Å; L66-I110 HydrophobicContact CD1-CD1 4.15Å; L66-I110 HydrophobicContact CD1-CG2 4.16Å; L66-I112 HydrophobicContact CB-CD1 3.98Å; L66-I112 HydrophobicContact CD1-CD1 4.22Å; L66-I112 HydrophobicContact CD2-CD1 4.37Å; L66-I112 HydrophobicContact CG-CD1 4.43Å
67	Q	92.8	Very high	89.7	Confident	19 Å²	19	52.3 Å²	52.3	9%	0.089	29%	0.286	C	S	.	.	H	α-helix	trans	-62	-46.9	173.7	-73.9	-173.9	-48.3	0	0	111.9	Y63 H64 H70 H71 I72 V75	Y63-Q67 HydrophobicContact CD1-CG 4.29Å; Y63-Q67 HydrophobicContact CE1-CG 3.99Å; Y63-Q67 PolarHBondContact O-N 3.41Å; H64-Q67 PolarHBondContact O-N 2.82Å; Q67-H70 PolarHBondContact O-N 3.3Å; Q67-H71 CarbonylContact O-C 3.58Å; Q67-H71 WeakPolarHBondContact O-CA 3.45Å; Q67-H71 PolarHBondContact O-N 3.2Å; Q67-I72 HydrophobicContact CB-CG1 4.13Å; Q67-I72 HydrophobicContact CG-CD1 4.38Å; Q67-I72 HydrophobicContact CG-CG1 4.11Å; Q67-I72 PolarHBondContact O-N 2.8Å; Q67-V75 PolarHBondContact NE2-O 2.92Å
68	N	93.7	Very high	90.5	Very high	86 Å²	86	53.2 Å²	53.2	46%	0.46	28%	0.284	S	S	.	.	H	α-helix	trans	-63.3	-42	177	-65.7	-6.5	0	0	0	111.3	H64 L65 H71 H73	H64-N68 WeakPolarHBondContact O-CB 3.21Å; H64-N68 PolarHBondContact O-N 2.89Å; H64-N68 PolarHBondContact O-OD1 2.8Å; L65-N68 PolarHBondContact O-N 3.41Å; N68-H71 PolarHBondContact O-N 2.87Å; N68-H71 PolarHBondContact O-ND1 2.84Å; N68-H73 PolarHBondContact OD1-CD2 2.99Å; N68-H73 PolarHBondContact OD1-NE2 2.78Å
69	I	94.4	Very high	90.8	Very high	36 Å²	36	52.8 Å²	52.8	19%	0.185	28%	0.279	C	S	.	.	H	α-helix	trans	-64.7	-39.5	179.9	-79.6	178.4	0	0	0	112	R47 F49 L65 L66	R47-I69 HydrophobicContact CB-CG2 3.92Å; R47-I69 WeakPolarHBondContact CD-O 3.36Å; R47-I69 HydrophobicContact CG-CG2 4.39Å; R47-I69 PolarHBondContact NE-O 2.91Å; R47-I69 PolarHBondContact NH1-O 3.4Å; F49-I69 HydrophobicContact CD1-CD1 3.62Å; F49-I69 HydrophobicContact CD1-CG2 4.48Å; F49-I69 HydrophobicContact CD2-CD1 4.14Å; F49-I69 HydrophobicContact CE1-CD1 3.6Å; F49-I69 HydrophobicContact CE1-CG2 4.42Å; F49-I69 HydrophobicContact CE2-CD1 4.12Å; F49-I69 HydrophobicContact CG-CD1 3.9Å; F49-I69 HydrophobicContact CZ-CD1 3.85Å; L65-I69 HydrophobicContact CD1-CD1 3.74Å; L65-I69 HydrophobicContact CD1-CG1 4.06Å; L65-I69 HydrophobicContact CD2-CD1 4.34Å; L65-I69 HydrophobicContact CG-CD1 3.77Å; L65-I69 HydrophobicContact CG-CG1 4.38Å; L65-I69 VanDerWaalsContact O-CB 3.25Å; L65-I69 WeakPolarHBondContact O-CB 3.46Å; L65-I69 VanDerWaalsContact O-CG1 3.24Å; L65-I69 WeakPolarHBondContact O-CG1 3.3Å; L65-I69 PolarHBondContact O-N 3Å; L66-I69 PolarHBondContact O-N 3.16Å
70	H	94.2	Very high	90.9	Very high	8 Å²	8	53.1 Å²	53.1	4%	0.037	28%	0.281	C	S	.	.	H	α-helix	trans	-95	2.5	176.2	-67	-83.7	0	0	0	113.9	S40 F42 L66 Q67 I72 I112	S40-H70 WeakPolarHBondContact CB-NE2 3.49Å; S40-H70 PolarHBondContact OG-NE2 3.18Å; F42-H70 HydrophobicContact CB-CB 4.49Å; L66-H70 PolarHBondContact O-CD2 3Å; L66-H70 PolarHBondContact O-N 3.46Å; Q67-H70 PolarHBondContact O-N 3.3Å; H70-I72 HydrophobicContact CB-CD1 4.24Å; H70-I72 HydrophobicContact CB-CG1 4.12Å; H70-I72 HydrophobicContact CB-CG2 4.16Å; H70-I72 PolarHBondContact O-N 3.48Å; H70-I112 VanDerWaalsContact CD2-CD1 3.47Å; H70-I112 WeakPolarHBondContact CD2-CD1 3.46Å
71	H	93.4	Very high	91	Very high	119 Å²	119	48.9 Å²	48.9	55%	0.551	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.8	20.1	-178.5	-45.1	-42.6	0	0	0	115.7	R47 Q67 N68 H73	R47-H71 PolarHBondContact NH1-CE1 2.66Å; R47-H71 PolarHBondContact NH1-NE2 3.5Å; Q67-H71 CarbonylContact O-C 3.58Å; Q67-H71 WeakPolarHBondContact O-CA 3.45Å; Q67-H71 PolarHBondContact O-N 3.2Å; N68-H71 PolarHBondContact O-N 2.87Å; N68-H71 PolarHBondContact O-ND1 2.84Å; H71-H73 VanDerWaalsContact C-N 3.28Å; H71-H73 PolarHBondContact O-N 3.32Å; H71-H73 PolarHBondContact O-ND1 2.88Å
72	I	90.6	Very high	91	Very high	16 Å²	16	44.7 Å²	44.7	8%	0.082	24%	0.243	C	C	.	.			trans	-89.3	38.6	-174	56.2	172.8	0	0	0	113.4	F42 Q67 H70 G74 V75 V77 I112	F42-I72 HydrophobicContact CD1-CG2 3.88Å; F42-I72 HydrophobicContact CD2-CD1 4.31Å; F42-I72 HydrophobicContact CE1-CG2 3.41Å; F42-I72 VanDerWaalsContact CE1-CG2 3.41Å; F42-I72 HydrophobicContact CE2-CD1 4.26Å; F42-I72 HydrophobicContact CE2-CG2 4.29Å; F42-I72 HydrophobicContact CG-CG2 4.49Å; F42-I72 HydrophobicContact CZ-CG2 3.62Å; Q67-I72 HydrophobicContact CB-CG1 4.13Å; Q67-I72 HydrophobicContact CG-CD1 4.38Å; Q67-I72 HydrophobicContact CG-CG1 4.11Å; Q67-I72 PolarHBondContact O-N 2.8Å; H70-I72 HydrophobicContact CB-CD1 4.24Å; H70-I72 HydrophobicContact CB-CG1 4.12Å; H70-I72 HydrophobicContact CB-CG2 4.16Å; H70-I72 PolarHBondContact O-N 3.48Å; I72-G74 PolarHBondContact O-N 2.85Å; I72-V75 PolarHBondContact O-N 2.87Å; I72-V77 HydrophobicContact CD1-CG1 3.96Å; I72-V77 HydrophobicContact CD1-CG2 4.24Å; I72-I112 HydrophobicContact CD1-CG2 4.05Å
73	H	83.9	Confident	90.9	Very high	113 Å²	113	46.3 Å²	46.3	52%	0.523	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	136.8	-178.1	-43	93.3	0	0	0	111.5	N68 H71 V75	N68-H73 PolarHBondContact OD1-CD2 2.99Å; N68-H73 PolarHBondContact OD1-NE2 2.78Å; H71-H73 VanDerWaalsContact C-N 3.28Å; H71-H73 PolarHBondContact O-N 3.32Å; H71-H73 PolarHBondContact O-ND1 2.88Å; H73-V75 PolarHBondContact O-N 2.77Å
74	G	79.6	Confident	90.5	Very high	86 Å²	86	50.7 Å²	50.7	89%	0.887	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.2	-4.7	178.8	0	0	0	0	0	115.8	I72	I72-G74 PolarHBondContact O-N 2.85Å
75	V	84.3	Confident	90.2	Very high	54 Å²	54	53.9 Å²	53.9	33%	0.327	29%	0.291	S	S	.	.			trans	-90.2	127.6	172.4	-175	0	0	0	0	109.4	Q67 I72 H73 V77 K114	Q67-V75 PolarHBondContact NE2-O 2.92Å; I72-V75 PolarHBondContact O-N 2.87Å; H73-V75 PolarHBondContact O-N 2.77Å; V75-V77 HydrophobicContact CB-CG1 4.48Å; V75-V77 HydrophobicContact CG1-CG1 3.98Å; V75-K114 HydrophobicContact CG1-CG 4.15Å
76	E	84.1	Confident	89.7	Confident	113 Å²	113	52.3 Å²	52.3	53%	0.528	29%	0.287	S	S	.	.			trans	-74.9	125	169.7	-158.6	-176	168.6	0	0	109.4	K115	E76-K115 HydrophobicContact CB-CB 4.38Å; E76-K115 HydrophobicContact CB-CD 4.29Å; E76-K115 HydrophobicContact CG-CD 3.84Å; E76-K115 WeakPolarHBondContact O-CB 3.46Å; E76-K115 PolarHBondContact O-N 3.14Å; E76-K115 WeakPolarHBondContact OE1-CD 3.29Å; E76-K115 IonicContact OE1-NZ 2.71Å; E76-K115 PolarHBondContact OE1-NZ 2.9Å; E76-K115 VanDerWaalsContact OE2-CD 3.24Å; E76-K115 WeakPolarHBondContact OE2-CD 3.26Å; E76-K115 IonicContact OE2-NZ 2.72Å; E76-K115 PolarHBondContact OE2-NZ 3.45Å
77	V	90.1	Very high	89.4	Confident	9 Å²	9	56.1 Å²	56.1	6%	0.055	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	150.1	-177.1	-65	0	0	0	0	111.7	F42 Y63 I72 V75 L79 I112 T113	F42-V77 HydrophobicContact CE2-CG1 4.27Å; Y63-V77 HydrophobicContact CE2-CG2 3.67Å; Y63-V77 WeakPolarHBondContact CE2-O 3.42Å; Y63-V77 PolarHBondContact OH-N 2.89Å; Y63-V77 VanDerWaalsContact OH-N 3.12Å; I72-V77 HydrophobicContact CD1-CG1 3.96Å; I72-V77 HydrophobicContact CD1-CG2 4.24Å; V75-V77 HydrophobicContact CB-CG1 4.48Å; V75-V77 HydrophobicContact CG1-CG1 3.98Å; V77-L79 HydrophobicContact CG2-CD2 4.33Å; V77-I112 HydrophobicContact CB-CG2 3.67Å; V77-I112 HydrophobicContact CG1-CG2 3.95Å; V77-I112 HydrophobicContact CG2-CG2 3.76Å; V77-T113 CarbonylContact C-O 3.46Å; V77-T113 WeakPolarHBondContact CA-O 3.24Å; V77-T113 VanDerWaalsContact CB-O 3.28Å; V77-T113 WeakPolarHBondContact CB-O 3.18Å
78	L	90.4	Very high	89.2	Confident	46 Å²	46	56.6 Å²	56.6	24%	0.241	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	138.9	168.7	-54.4	170.3	0	0	0	108.2	I112 T113 K115 P159	L78-I112 WeakPolarHBondContact O-CA 3.47Å; L78-T113 PolarHBondContact N-O 3.05Å; L78-T113 PolarHBondContact O-N 3.43Å; L78-T113 VanDerWaalsContact O-N 3.08Å; L78-K115 HydrophobicContact CD2-CG 4.46Å; L78-K115 HydrophobicContact CG-CB 4.36Å; L78-P159 HydrophobicContact CD1-CB 4.48Å; L78-P159 HydrophobicContact CD1-CG 3.92Å; L78-P159 HydrophobicContact CD2-CG 3.91Å
79	L	93.6	Very high	89	Confident	7 Å²	7	55.8 Å²	55.8	4%	0.037	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	128.5	174.4	-59.5	-176.6	0	0	0	109	F59 Y63 L66 V77 P90 I91 I112	F59-L79 HydrophobicContact CE2-CD1 4.04Å; Y63-L79 HydrophobicContact CD2-CD1 3.7Å; Y63-L79 HydrophobicContact CD2-CG 4.11Å; Y63-L79 HydrophobicContact CE2-CG 4.49Å; Y63-L79 HydrophobicContact CG-CD1 4.45Å; L66-L79 HydrophobicContact CD1-CD1 3.81Å; L66-L79 HydrophobicContact CD1-CD2 3.89Å; V77-L79 HydrophobicContact CG2-CD2 4.33Å; L79-P90 CarbonylContact O-C 3.54Å; L79-P90 WeakPolarHBondContact O-CA 3.22Å; L79-I91 HydrophobicContact CB-CB 4.08Å; L79-I91 PolarHBondContact O-N 3.17Å; L79-I112 HydrophobicContact CD2-CB 4.18Å; L79-I112 HydrophobicContact CD2-CD1 3.9Å; L79-I112 HydrophobicContact CD2-CG1 3.61Å; L79-I112 HydrophobicContact CD2-CG2 3.94Å
80	E	93.6	Very high	88.9	Confident	38 Å²	38	55.7 Å²	55.7	18%	0.178	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	148.3	172	-63.1	177.3	140	0	0	109.3	L89 I110 I111	E80-L89 CarbonylContact C-O 3.59Å; E80-L89 VanDerWaalsContact CA-O 3.3Å; E80-L89 WeakPolarHBondContact CA-O 3.44Å; E80-I110 CarbonylContact O-C 3.48Å; E80-I110 VanDerWaalsContact O-CA 3.3Å; E80-I110 WeakPolarHBondContact O-CA 3.34Å; E80-I111 HydrophobicContact CB-CB 4.47Å; E80-I111 PolarHBondContact N-O 2.95Å; E80-I111 PolarHBondContact O-N 3.28Å
81	Y	94.4	Very high	88.8	Confident	7 Å²	7	55.4 Å²	55.4	3%	0.027	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	145.3	165.8	73.3	-75.8	0	0	0	111.3	D83 L88 L89 I91 K99 A100 L108 R109	Y81-D83 HydrophobicContact CD2-CB 4.41Å; Y81-D83 HydrophobicContact CE2-CB 3.98Å; Y81-L88 WeakPolarHBondContact O-CA 3.42Å; Y81-L89 HydrophobicContact CD1-CB 4.02Å; Y81-L89 WeakPolarHBondContact CD1-O 3.37Å; Y81-L89 HydrophobicContact CE1-CB 3.56Å; Y81-L89 HydrophobicContact CE1-CD1 4.45Å; Y81-L89 HydrophobicContact CE2-CD1 4.41Å; Y81-L89 PolarHBondContact N-O 2.9Å; Y81-L89 PolarHBondContact O-N 3.05Å; Y81-I91 HydrophobicContact CD1-CD1 4.21Å; Y81-I91 HydrophobicContact CD1-CG1 3.63Å; Y81-I91 HydrophobicContact CE1-CG1 4.39Å; Y81-I91 HydrophobicContact CG-CG1 4.4Å; Y81-K99 WeakPolarHBondContact OH-CG 3.5Å; Y81-A100 HydrophobicContact CD1-CB 3.62Å; Y81-A100 HydrophobicContact CD2-CB 3.75Å; Y81-A100 HydrophobicContact CE1-CB 3.77Å; Y81-A100 HydrophobicContact CE2-CB 3.9Å; Y81-A100 HydrophobicContact CG-CB 3.61Å; Y81-L108 HydrophobicContact CD2-CD1 4.4Å; Y81-L108 HydrophobicContact CG-CD1 4.41Å; Y81-R109 CarbonylContact C-O 3.59Å; Y81-R109 WeakPolarHBondContact CA-O 3.24Å
82	A	92.7	Very high	88.7	Confident	16 Å²	16	51.5 Å²	51.5	13%	0.132	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	124.6	164.7	0	0	0	0	0	108.7	D87 L88 R109	A82-D87 WeakPolarHBondContact CA-O 3.28Å; A82-L88 HydrophobicContact CB-CD2 3.96Å; A82-R109 HydrophobicContact CB-CB 4.08Å; A82-R109 PolarHBondContact N-O 2.84Å
83	D	89.7	Confident	88.7	Confident	34 Å²	34	51.7 Å²	51.7	18%	0.182	29%	0.291	C	S	.	.			trans	-80.4	-165.3	-178.1	96.1	-50.3	0	0	0	112.5	Y81 H85 G86 D87 L89	Y81-D83 HydrophobicContact CD2-CB 4.41Å; Y81-D83 HydrophobicContact CE2-CB 3.98Å; D83-H85 VanDerWaalsContact CG-N 3.29Å; D83-H85 WeakPolarHBondContact OD1-CA 3.35Å; D83-H85 PolarHBondContact OD1-N 2.88Å; D83-H85 IonicContact OD2-CD2 3.95Å; D83-H85 PolarHBondContact OD2-CD2 2.71Å; D83-H85 IonicContact OD2-CG 3.13Å; D83-H85 PolarHBondContact OD2-N 3.24Å; D83-H85 VanDerWaalsContact OD2-N 3.13Å; D83-G86 PolarHBondContact OD1-N 3.03Å; D83-D87 PolarHBondContact N-O 3.26Å; D83-D87 PolarHBondContact OD1-N 3.35Å; D83-L89 HydrophobicContact CB-CD1 3.93Å
84	I	85.5	Confident	89	Confident	121 Å²	121	50.5 Å²	50.5	62%	0.621	29%	0.288	S	S	*	.	S	Bend	trans	-75	-21.4	177.5	61.4	171	0	0	0	113.7
85	H	86.1	Confident	89.3	Confident	152 Å²	152	50.5 Å²	50.5	70%	0.704	27%	0.265	S	S	*	.	S	Bend	trans	-88.6	-22.7	175.5	-58.1	-61	0	0	0	112.1	D83	D83-H85 VanDerWaalsContact CG-N 3.29Å; D83-H85 WeakPolarHBondContact OD1-CA 3.35Å; D83-H85 PolarHBondContact OD1-N 2.88Å; D83-H85 IonicContact OD2-CD2 3.95Å; D83-H85 PolarHBondContact OD2-CD2 2.71Å; D83-H85 IonicContact OD2-CG 3.13Å; D83-H85 PolarHBondContact OD2-N 3.24Å; D83-H85 VanDerWaalsContact OD2-N 3.13Å
86	G	83	Confident	89.6	Confident	17 Å²	17	49.2 Å²	49.2	18%	0.175	26%	0.256	C	S	.	.	S	Bend	trans	103.2	11.8	179.9	0	0	0	0	0	113.8	D83 L127	D83-G86 PolarHBondContact OD1-N 3.03Å; G86-L127 WeakPolarHBondContact O-CD1 3.25Å; G86-L127 VanDerWaalsContact O-CG 3.32Å; G86-L127 WeakPolarHBondContact O-CG 3.24Å
87	D	86.8	Confident	90	Very high	81 Å²	81	44.2 Å²	44.2	43%	0.433	23%	0.233	S	C	.	.	B	Isolated β-bridge	trans	-83.1	147	176.4	-69	-41.1	0	0	0	110.7	A82 D83	A82-D87 WeakPolarHBondContact CA-O 3.28Å; D83-D87 PolarHBondContact N-O 3.26Å; D83-D87 PolarHBondContact OD1-N 3.35Å
88	L	89.8	Confident	90	Very high	30 Å²	30	48.9 Å²	48.9	16%	0.157	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	111.9	178.5	-61.7	-178.9	0	0	0	110.3	Y81 A82 I111 N125 L127	Y81-L88 WeakPolarHBondContact O-CA 3.42Å; A82-L88 HydrophobicContact CB-CD2 3.96Å; L88-I111 HydrophobicContact CD1-CD1 3.88Å; L88-I111 HydrophobicContact CD2-CD1 3.68Å; L88-I111 HydrophobicContact CD2-CG1 4.5Å; L88-I111 HydrophobicContact CG-CD1 4.47Å; L88-N125 HydrophobicContact CB-CB 4.34Å; L88-N125 HydrophobicContact CD1-CB 4.33Å; L88-L127 HydrophobicContact CD2-CD2 4.43Å
89	L	89.9	Confident	90	Very high	68 Å²	68	52.9 Å²	52.9	36%	0.356	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	136.1	-178.7	-60.2	179.7	0	0	0	110.1	E80 Y81 D83	E80-L89 CarbonylContact C-O 3.59Å; E80-L89 VanDerWaalsContact CA-O 3.3Å; E80-L89 WeakPolarHBondContact CA-O 3.44Å; Y81-L89 HydrophobicContact CD1-CB 4.02Å; Y81-L89 WeakPolarHBondContact CD1-O 3.37Å; Y81-L89 HydrophobicContact CE1-CB 3.56Å; Y81-L89 HydrophobicContact CE1-CD1 4.45Å; Y81-L89 HydrophobicContact CE2-CD1 4.41Å; Y81-L89 PolarHBondContact N-O 2.9Å; Y81-L89 PolarHBondContact O-N 3.05Å; D83-L89 HydrophobicContact CB-CD1 3.93Å
90	P	91.5	Very high	90	Very high	34 Å²	34	52.6 Å²	52.6	22%	0.221	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	141.4	-176.7	28.6	-34.2	0	0	0	112.1	L79 N96 F163	L79-P90 CarbonylContact O-C 3.54Å; L79-P90 WeakPolarHBondContact O-CA 3.22Å; P90-N96 WeakPolarHBondContact O-CB 3.48Å; P90-F163 HydrophobicContact CG-CD2 3.45Å; P90-F163 VanDerWaalsContact CG-CD2 3.45Å; P90-F163 HydrophobicContact CG-CE2 3.71Å; P90-F163 HydrophobicContact CG-CG 4.41Å
91	I	92.8	Very high	89.9	Confident	2 Å²	2	51.2 Å²	51.2	1%	0.01	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	107.8	161.5	-47.5	-176.5	0	0	0	107	F59 F62 L79 Y81 F97 A100 I110	F59-I91 HydrophobicContact CD2-CG2 3.56Å; F59-I91 HydrophobicContact CE2-CB 4.34Å; F59-I91 HydrophobicContact CE2-CG2 3.78Å; F59-I91 WeakPolarHBondContact CE2-O 3.28Å; F62-I91 HydrophobicContact CE1-CD1 4.33Å; L79-I91 HydrophobicContact CB-CB 4.08Å; L79-I91 PolarHBondContact O-N 3.17Å; Y81-I91 HydrophobicContact CD1-CD1 4.21Å; Y81-I91 HydrophobicContact CD1-CG1 3.63Å; Y81-I91 HydrophobicContact CE1-CG1 4.39Å; Y81-I91 HydrophobicContact CG-CG1 4.4Å; I91-F97 HydrophobicContact CG2-CB 3.84Å; I91-A100 HydrophobicContact CD1-CB 3.94Å; I91-A100 HydrophobicContact CG1-CB 4.33Å; I91-I110 HydrophobicContact CD1-CD1 4.36Å
92	N	90.6	Very high	89.7	Confident	38 Å²	38	55 Å²	55	20%	0.203	29%	0.29	C	S	.	.			trans	-143.7	5.1	-176.4	58.5	15.3	0	0	0	114.5	N96 D162	N92-N96 PolarHBondContact OD1-ND2 2.98Å; N92-D162 PolarHBondContact ND2-N 2.87Å
93	N	89.6	Confident	89.5	Confident	20 Å²	20	55.9 Å²	55.9	11%	0.107	29%	0.294	C	S	.	.	S	Bend	trans	-156.7	172	173.3	63	20.5	0	0	0	109.4	E95 N96 F97 D162 F163	N93-E95 VanDerWaalsContact C-N 3.3Å; N93-E95 PolarHBondContact O-N 2.95Å; N93-E95 PolarHBondContact OD1-N 3.12Å; N93-N96 PolarHBondContact O-N 3.29Å; N93-N96 VanDerWaalsContact OD1-CB 3.29Å; N93-N96 WeakPolarHBondContact OD1-CB 3.39Å; N93-N96 VanDerWaalsContact OD1-CG 3.23Å; N93-N96 PolarHBondContact OD1-N 3.5Å; N93-N96 PolarHBondContact OD1-ND2 2.94Å; N93-F97 PolarHBondContact O-N 3.21Å; N93-F97 VanDerWaalsContact O-N 3.12Å; N93-D162 PolarHBondContact ND2-OD1 3.42Å; N93-F163 PolarHBondContact ND2-O 3.16Å
94	D	90.1	Very high	89.4	Confident	88 Å²	88	54.6 Å²	54.6	47%	0.471	29%	0.288	S	S	.	.	H	α-helix	trans	-61.6	-35.3	-177.4	-67.2	-32.6	0	0	0	113.1	G58 F59 F97 H98	G58-D94 WeakPolarHBondContact CA-OD1 3.42Å; F59-D94 WeakPolarHBondContact CB-OD1 3.17Å; F59-D94 PolarHBondContact N-OD1 2.8Å; D94-F97 PolarHBondContact O-N 2.86Å; D94-H98 PolarHBondContact O-N 2.99Å; D94-H98 PolarHBondContact O-ND1 2.81Å
95	E	87.2	Confident	89.3	Confident	86 Å²	86	55.6 Å²	55.6	40%	0.402	30%	0.295	S	S	.	.	H	α-helix	trans	-68.1	-44.4	-179.4	-74.9	176.4	-125.6	0	0	112	N93 F97 H98 K99 Y187	N93-E95 VanDerWaalsContact C-N 3.3Å; N93-E95 PolarHBondContact O-N 2.95Å; N93-E95 PolarHBondContact OD1-N 3.12Å; E95-F97 VanDerWaalsContact C-N 3.29Å; E95-F97 PolarHBondContact O-N 3.24Å; E95-H98 PolarHBondContact O-N 3.47Å; E95-K99 VanDerWaalsContact O-CB 3.24Å; E95-K99 WeakPolarHBondContact O-CB 3.41Å; E95-K99 PolarHBondContact O-N 3.34Å; E95-Y187 WeakPolarHBondContact OE1-CD1 3.34Å; E95-Y187 WeakPolarHBondContact OE1-CE1 3.5Å; E95-Y187 WeakPolarHBondContact OE2-CE1 3.3Å; E95-Y187 VanDerWaalsContact OE2-CZ 3.25Å; E95-Y187 PolarHBondContact OE2-OH 3.3Å
96	N	90.9	Very high	89.3	Confident	27 Å²	27	52.8 Å²	52.8	14%	0.144	29%	0.291	C	S	.	.	H	α-helix	trans	-66.7	-33.1	176.2	-69.2	-35.5	0	0	0	111.4	P90 N92 N93 A100 F163	P90-N96 WeakPolarHBondContact O-CB 3.48Å; N92-N96 PolarHBondContact OD1-ND2 2.98Å; N93-N96 PolarHBondContact O-N 3.29Å; N93-N96 VanDerWaalsContact OD1-CB 3.29Å; N93-N96 WeakPolarHBondContact OD1-CB 3.39Å; N93-N96 VanDerWaalsContact OD1-CG 3.23Å; N93-N96 PolarHBondContact OD1-N 3.5Å; N93-N96 PolarHBondContact OD1-ND2 2.94Å; N96-A100 VanDerWaalsContact O-CB 3.29Å; N96-A100 WeakPolarHBondContact O-CB 3.49Å; N96-A100 PolarHBondContact O-N 3.28Å; N96-F163 PolarHBondContact ND2-O 2.94Å
97	F	92.3	Very high	89.7	Confident	7 Å²	7	53.4 Å²	53.4	3%	0.031	29%	0.291	C	S	.	.	H	α-helix	trans	-64	-52.1	170.2	170.8	-111.6	0	0	0	112.1	L51 F56 G57 F59 F62 I91 N93 D94 E95 K99 A100 V101	L51-F97 HydrophobicContact CD2-CE2 4.16Å; L51-F97 HydrophobicContact CD2-CZ 4.32Å; F56-F97 HydrophobicContact CD1-CE1 4.33Å; F56-F97 AromaticContact CD1-CZ 3.81Å; F56-F97 HydrophobicContact CD1-CZ 3.81Å; G57-F97 VanDerWaalsContact O-CE1 3.26Å; G57-F97 WeakPolarHBondContact O-CE1 3.49Å; F59-F97 HydrophobicContact CB-CB 4.3Å; F62-F97 HydrophobicContact CB-CD2 4.02Å; F62-F97 HydrophobicContact CB-CE2 3.72Å; F62-F97 HydrophobicContact CB-CZ 4.12Å; F62-F97 AromaticContact CD1-CD2 3.48Å; F62-F97 HydrophobicContact CD1-CD2 3.48Å; F62-F97 VanDerWaalsContact CD1-CD2 3.48Å; F62-F97 AromaticContact CD1-CE2 3.47Å; F62-F97 HydrophobicContact CD1-CE2 3.47Å; F62-F97 VanDerWaalsContact CD1-CE2 3.47Å; F62-F97 HydrophobicContact CD2-CD2 4.44Å; F62-F97 AromaticContact CD2-CE2 3.6Å; F62-F97 HydrophobicContact CD2-CE2 3.6Å; F62-F97 HydrophobicContact CD2-CZ 4.19Å; F62-F97 AromaticContact CE1-CD2 4Å; F62-F97 HydrophobicContact CE1-CD2 4Å; F62-F97 AromaticContact CE1-CE2 3.9Å; F62-F97 HydrophobicContact CE1-CE2 3.9Å; F62-F97 HydrophobicContact CE2-CE2 4.06Å; F62-F97 AromaticContact CG-CD2 3.72Å; F62-F97 HydrophobicContact CG-CD2 3.72Å; F62-F97 AromaticContact CG-CE2 3.29Å; F62-F97 HydrophobicContact CG-CE2 3.29Å; F62-F97 HydrophobicContact CG-CZ 4.06Å; F62-F97 HydrophobicContact CZ-CE2 4.18Å; I91-F97 HydrophobicContact CG2-CB 3.84Å; N93-F97 PolarHBondContact O-N 3.21Å; N93-F97 VanDerWaalsContact O-N 3.12Å; D94-F97 PolarHBondContact O-N 2.86Å; E95-F97 VanDerWaalsContact C-N 3.29Å; E95-F97 PolarHBondContact O-N 3.24Å; F97-K99 VanDerWaalsContact C-N 3.28Å; F97-K99 PolarHBondContact O-N 2.96Å; F97-A100 PolarHBondContact O-N 3.4Å; F97-V101 HydrophobicContact CD2-CG2 4.04Å; F97-V101 HydrophobicContact CE2-CG2 3.54Å; F97-V101 HydrophobicContact CZ-CG2 3.82Å; F97-V101 WeakPolarHBondContact O-CG2 3.29Å; F97-V101 PolarHBondContact O-N 3.23Å
98	H	90.4	Very high	90	Very high	108 Å²	108	49.7 Å²	49.7	50%	0.5	27%	0.271	S	S	.	.	H	α-helix	trans	-60.9	-38	177.4	-77.5	86.8	0	0	0	111.9	D94 E95 S102	D94-H98 PolarHBondContact O-N 2.99Å; D94-H98 PolarHBondContact O-ND1 2.81Å; E95-H98 PolarHBondContact O-N 3.47Å; H98-S102 WeakPolarHBondContact O-CB 3.33Å; H98-S102 PolarHBondContact O-N 3.23Å; H98-S102 PolarHBondContact O-OG 2.96Å
99	K	90.1	Very high	90.3	Very high	130 Å²	130	55.3 Å²	55.3	57%	0.565	29%	0.29	S	S	*	.	H	α-helix	trans	-62.8	-48.5	175.4	-173.4	70.6	174.3	-170.6	0	111	Y81 E95 F97 S102 S103	Y81-K99 WeakPolarHBondContact OH-CG 3.5Å; E95-K99 VanDerWaalsContact O-CB 3.24Å; E95-K99 WeakPolarHBondContact O-CB 3.41Å; E95-K99 PolarHBondContact O-N 3.34Å; F97-K99 VanDerWaalsContact C-N 3.28Å; F97-K99 PolarHBondContact O-N 2.96Å; K99-S102 PolarHBondContact O-N 2.92Å; K99-S103 WeakPolarHBondContact O-CB 3.38Å; K99-S103 PolarHBondContact O-N 3.05Å; K99-S103 PolarHBondContact O-OG 2.89Å
100	A	92.4	Very high	90.6	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-59.6	-47.8	178.1	0	0	0	0	0	112.5	Y81 I91 N96 F97 S102 S103 A104 L108	Y81-A100 HydrophobicContact CD1-CB 3.62Å; Y81-A100 HydrophobicContact CD2-CB 3.75Å; Y81-A100 HydrophobicContact CE1-CB 3.77Å; Y81-A100 HydrophobicContact CE2-CB 3.9Å; Y81-A100 HydrophobicContact CG-CB 3.61Å; I91-A100 HydrophobicContact CD1-CB 3.94Å; I91-A100 HydrophobicContact CG1-CB 4.33Å; N96-A100 VanDerWaalsContact O-CB 3.29Å; N96-A100 WeakPolarHBondContact O-CB 3.49Å; N96-A100 PolarHBondContact O-N 3.28Å; F97-A100 PolarHBondContact O-N 3.4Å; A100-S102 VanDerWaalsContact C-N 3.33Å; A100-S102 PolarHBondContact O-N 3.45Å; A100-S103 PolarHBondContact O-OG 3.45Å; A100-A104 WeakPolarHBondContact O-CB 3.17Å; A100-A104 PolarHBondContact O-N 3.33Å; A100-A104 VanDerWaalsContact O-N 3.12Å; A100-L108 HydrophobicContact CB-CD1 3.96Å
101	V	92.1	Very high	90.7	Very high	10 Å²	10	52.5 Å²	52.5	6%	0.061	27%	0.273	C	S	.	.	H	α-helix	trans	-65.2	-35.8	176.8	175.7	0	0	0	0	111.8	V36 L51 R53 F97 L108	V36-V101 HydrophobicContact CG2-CG1 4.22Å; L51-V101 HydrophobicContact CD2-CG2 3.73Å; R53-V101 HydrophobicContact CG-CG1 4.3Å; R53-V101 PolarHBondContact NH1-O 3.37Å; F97-V101 HydrophobicContact CD2-CG2 4.04Å; F97-V101 HydrophobicContact CE2-CG2 3.54Å; F97-V101 HydrophobicContact CZ-CG2 3.82Å; F97-V101 WeakPolarHBondContact O-CG2 3.29Å; F97-V101 PolarHBondContact O-N 3.23Å; V101-L108 HydrophobicContact CG2-CD2 3.99Å
102	S	90.1	Very high	90.8	Very high	87 Å²	87	52.6 Å²	52.6	61%	0.608	27%	0.273	S	S	*	.	H	α-helix	trans	-72.5	-42.3	178.6	-61.4	0	0	0	0	112.8	H98 K99 A100 A104	H98-S102 WeakPolarHBondContact O-CB 3.33Å; H98-S102 PolarHBondContact O-N 3.23Å; H98-S102 PolarHBondContact O-OG 2.96Å; K99-S102 PolarHBondContact O-N 2.92Å; A100-S102 VanDerWaalsContact C-N 3.33Å; A100-S102 PolarHBondContact O-N 3.45Å; S102-A104 VanDerWaalsContact C-N 3.3Å; S102-A104 PolarHBondContact O-N 3.43Å
103	S	89.1	Confident	90.8	Very high	33 Å²	33	53.2 Å²	53.2	23%	0.231	28%	0.279	C	S	.	.	H	α-helix	trans	-73.7	-19.3	178.4	55.2	0	0	0	0	113.7	K99 A100 N105	K99-S103 WeakPolarHBondContact O-CB 3.38Å; K99-S103 PolarHBondContact O-N 3.05Å; K99-S103 PolarHBondContact O-OG 2.89Å; A100-S103 PolarHBondContact O-OG 3.45Å; S103-N105 PolarHBondContact O-N 3.43Å; S103-N105 VanDerWaalsContact O-N 3.16Å
104	A	88.4	Confident	90.7	Very high	7 Å²	7	55.9 Å²	55.9	6%	0.058	29%	0.29	C	S	.	.			trans	-62.9	114	-178.3	0	0	0	0	0	112.8	V36 R53 A100 S102 L108	V36-A104 HydrophobicContact CG1-CB 3.68Å; V36-A104 HydrophobicContact CG2-CB 4.11Å; R53-A104 PolarHBondContact NH2-O 2.87Å; A100-A104 WeakPolarHBondContact O-CB 3.17Å; A100-A104 PolarHBondContact O-N 3.33Å; A100-A104 VanDerWaalsContact O-N 3.12Å; S102-A104 VanDerWaalsContact C-N 3.3Å; S102-A104 PolarHBondContact O-N 3.43Å; A104-L108 HydrophobicContact CB-CB 3.65Å
105	N	83.3	Confident	90.1	Very high	143 Å²	143	55.8 Å²	55.8	77%	0.765	29%	0.285	S	S	*	.	S	Bend	trans	-146	110.8	177.3	-173.5	8.4	0	0	0	111.7	S103	S103-N105 PolarHBondContact O-N 3.43Å; S103-N105 VanDerWaalsContact O-N 3.16Å
106	P	84.5	Confident	89	Confident	93 Å²	93	58.1 Å²	58.1	60%	0.604	30%	0.296	S	S	*	.	S	Bend	cis	-83.3	-13.1	-17.1	32	-29.7	0	0	0	113	E37	E37-P106 PolarHBondContact N-O 3Å
107	V	91.6	Very high	87.2	Confident	30 Å²	30	60.3 Å²	60.3	18%	0.182	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	121.8	-172	-170.7	0	0	0	0	112	E37 K39 R109	E37-V107 HydrophobicContact CB-CG2 4.47Å; E37-V107 CarbonylContact O-C 3.53Å; E37-V107 WeakPolarHBondContact O-CA 3.15Å; E37-V107 WeakPolarHBondContact O-CG1 3.34Å; E37-V107 WeakPolarHBondContact OE2-CG2 3.38Å; K39-V107 HydrophobicContact CB-CG1 3.73Å; V107-R109 HydrophobicContact CG1-CG 4.33Å; V107-R109 PolarHBondContact O-N 3.03Å
108	L	94.5	Very high	84.8	Confident	2 Å²	2	67 Å²	67	1%	0.01	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	113.9	165.2	175.5	50.1	0	0	0	109.1	V36 E37 V38 K39 Y81 A100 V101 A104 I110	V36-L108 HydrophobicContact CG1-CB 3.49Å; V36-L108 VanDerWaalsContact CG1-CB 3.49Å; E37-L108 PolarHBondContact O-N 3.34Å; V38-L108 CarbonylContact C-O 3.55Å; V38-L108 WeakPolarHBondContact CA-O 3.47Å; V38-L108 HydrophobicContact CG2-CB 4.39Å; V38-L108 HydrophobicContact CG2-CD2 4.42Å; K39-L108 PolarHBondContact N-O 2.75Å; Y81-L108 HydrophobicContact CD2-CD1 4.4Å; Y81-L108 HydrophobicContact CG-CD1 4.41Å; A100-L108 HydrophobicContact CB-CD1 3.96Å; V101-L108 HydrophobicContact CG2-CD2 3.99Å; A104-L108 HydrophobicContact CB-CB 3.65Å; L108-I110 HydrophobicContact CD1-CG1 4.13Å; L108-I110 HydrophobicContact CD2-CD1 4.02Å; L108-I110 HydrophobicContact CD2-CG1 4.45Å; L108-I110 HydrophobicContact CG-CD1 3.97Å; L108-I110 HydrophobicContact CG-CG1 3.88Å
109	R	95.2	Very high	82.9	Confident	148 Å²	148	65.9 Å²	65.9	56%	0.558	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.7	117.4	-179.2	-66.8	169.9	-177.7	-107.3	-0.8	109.1	K39 Y81 A82 V107	K39-R109 WeakPolarHBondContact O-CA 3.35Å; Y81-R109 CarbonylContact C-O 3.59Å; Y81-R109 WeakPolarHBondContact CA-O 3.24Å; A82-R109 HydrophobicContact CB-CB 4.08Å; A82-R109 PolarHBondContact N-O 2.84Å; V107-R109 HydrophobicContact CG1-CG 4.33Å; V107-R109 PolarHBondContact O-N 3.03Å
110	I	96	Very high	80.8	Confident	2 Å²	2	64.1 Å²	64.1	1%	0.01	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	136.7	-177.2	-61.2	178.8	0	0	0	110	V38 K39 S40 K41 F62 L66 E80 I91 L108 I112	V38-I110 HydrophobicContact CG1-CD1 3.8Å; V38-I110 HydrophobicContact CG1-CG1 4.35Å; K39-I110 PolarHBondContact O-N 2.65Å; S40-I110 CarbonylContact C-O 3.57Å; S40-I110 WeakPolarHBondContact CA-O 3.42Å; K41-I110 PolarHBondContact N-O 3.13Å; F62-I110 HydrophobicContact CE1-CD1 3.51Å; F62-I110 HydrophobicContact CZ-CD1 3.39Å; L66-I110 HydrophobicContact CD1-CD1 4.15Å; L66-I110 HydrophobicContact CD1-CG2 4.16Å; E80-I110 CarbonylContact O-C 3.48Å; E80-I110 VanDerWaalsContact O-CA 3.3Å; E80-I110 WeakPolarHBondContact O-CA 3.34Å; I91-I110 HydrophobicContact CD1-CD1 4.36Å; L108-I110 HydrophobicContact CD1-CG1 4.13Å; L108-I110 HydrophobicContact CD2-CD1 4.02Å; L108-I110 HydrophobicContact CD2-CG1 4.45Å; L108-I110 HydrophobicContact CG-CD1 3.97Å; L108-I110 HydrophobicContact CG-CG1 3.88Å; I110-I112 HydrophobicContact CG2-CG1 4.08Å
111	I	94.7	Very high	78.4	Confident	42 Å²	42	69.7 Å²	69.7	22%	0.215	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	131.1	168.9	-57	-177.3	0	0	0	107.4	E80 L88 T113	E80-I111 HydrophobicContact CB-CB 4.47Å; E80-I111 PolarHBondContact N-O 2.95Å; E80-I111 PolarHBondContact O-N 3.28Å; L88-I111 HydrophobicContact CD1-CD1 3.88Å; L88-I111 HydrophobicContact CD2-CD1 3.68Å; L88-I111 HydrophobicContact CD2-CG1 4.5Å; L88-I111 HydrophobicContact CG-CD1 4.47Å; I111-T113 HydrophobicContact CG2-CG2 4.13Å
112	I	94.5	Very high	76.5	Confident	3 Å²	3	75.3 Å²	75.3	2%	0.015	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	125.4	174.4	-49.4	-169.9	0	0	0	107.3	S40 K41 F42 L66 H70 I72 V77 L78 L79 I110	S40-I112 WeakPolarHBondContact OG-CD1 3.17Å; K41-I112 WeakPolarHBondContact O-CB 3.29Å; K41-I112 PolarHBondContact O-N 2.88Å; F42-I112 HydrophobicContact CB-CB 4.22Å; F42-I112 HydrophobicContact CD2-CB 3.83Å; F42-I112 HydrophobicContact CD2-CG2 3.59Å; F42-I112 HydrophobicContact CE2-CG2 4.16Å; L66-I112 HydrophobicContact CB-CD1 3.98Å; L66-I112 HydrophobicContact CD1-CD1 4.22Å; L66-I112 HydrophobicContact CD2-CD1 4.37Å; L66-I112 HydrophobicContact CG-CD1 4.43Å; H70-I112 VanDerWaalsContact CD2-CD1 3.47Å; H70-I112 WeakPolarHBondContact CD2-CD1 3.46Å; I72-I112 HydrophobicContact CD1-CG2 4.05Å; V77-I112 HydrophobicContact CB-CG2 3.67Å; V77-I112 HydrophobicContact CG1-CG2 3.95Å; V77-I112 HydrophobicContact CG2-CG2 3.76Å; L78-I112 WeakPolarHBondContact O-CA 3.47Å; L79-I112 HydrophobicContact CD2-CB 4.18Å; L79-I112 HydrophobicContact CD2-CD1 3.9Å; L79-I112 HydrophobicContact CD2-CG1 3.61Å; L79-I112 HydrophobicContact CD2-CG2 3.94Å; I110-I112 HydrophobicContact CG2-CG1 4.08Å
113	T	90.2	Very high	74.3	Confident	52 Å²	52	75.6 Å²	75.6	32%	0.319	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	142.5	174.8	54.5	0	0	0	0	110.2	V77 L78 I111	V77-T113 CarbonylContact C-O 3.46Å; V77-T113 WeakPolarHBondContact CA-O 3.24Å; V77-T113 VanDerWaalsContact CB-O 3.28Å; V77-T113 WeakPolarHBondContact CB-O 3.18Å; L78-T113 PolarHBondContact N-O 3.05Å; L78-T113 PolarHBondContact O-N 3.43Å; L78-T113 VanDerWaalsContact O-N 3.08Å; I111-T113 HydrophobicContact CG2-CG2 4.13Å
114	K	87.8	Confident	72.2	Confident	76 Å²	76	79.5 Å²	79.5	33%	0.33	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	135.8	170.3	-70.8	176.1	171.9	157.1	0	109.3	F42 E43 V75 E116	F42-K114 HydrophobicContact CE2-CG 3.94Å; F42-K114 HydrophobicContact CZ-CD 4.45Å; F42-K114 HydrophobicContact CZ-CG 3.92Å; E43-K114 WeakPolarHBondContact OE1-CE 3Å; E43-K114 IonicContact OE1-NZ 3.89Å; E43-K114 PolarHBondContact OE1-NZ 2.93Å; V75-K114 HydrophobicContact CG1-CG 4.15Å; K114-E116 HydrophobicContact CB-CG 4.16Å; K114-E116 PolarHBondContact O-N 2.85Å
115	K	76.9	Confident	70.2	Confident	86 Å²	86	83 Å²	83	37%	0.374	45%	0.454	S	S	.	.			trans	-83.6	64.5	169.4	-169	-161	174.6	-170.2	0	109.4	E76 L78	E76-K115 HydrophobicContact CB-CB 4.38Å; E76-K115 HydrophobicContact CB-CD 4.29Å; E76-K115 HydrophobicContact CG-CD 3.84Å; E76-K115 WeakPolarHBondContact O-CB 3.46Å; E76-K115 PolarHBondContact O-N 3.14Å; E76-K115 WeakPolarHBondContact OE1-CD 3.29Å; E76-K115 IonicContact OE1-NZ 2.71Å; E76-K115 PolarHBondContact OE1-NZ 2.9Å; E76-K115 VanDerWaalsContact OE2-CD 3.24Å; E76-K115 WeakPolarHBondContact OE2-CD 3.26Å; E76-K115 IonicContact OE2-NZ 2.72Å; E76-K115 PolarHBondContact OE2-NZ 3.45Å; L78-K115 HydrophobicContact CD2-CG 4.46Å; L78-K115 HydrophobicContact CG-CB 4.36Å
116	E	64.1	Low	68.8	Low	135 Å²	135	79.1 Å²	79.1	63%	0.631	44%	0.438	S	S	*	.			trans	-68.7	150.3	172.5	-82.4	170.8	167	0	0	110.6	K114 D118	K114-E116 HydrophobicContact CB-CG 4.16Å; K114-E116 PolarHBondContact O-N 2.85Å; E116-D118 PolarHBondContact O-N 2.73Å
117	G	52.5	Low	67.1	Low	73 Å²	73	80 Å²	80	75%	0.753	44%	0.438	S	S	*	.	S	Bend	trans	-71.3	-10.6	-176.5	0	0	0	0	0	114.7	S119	G117-S119 PolarHBondContact O-N 3.27Å
118	D	43.1	Very low	65	Low	146 Å²	146	84.5 Å²	84.5	78%	0.781	46%	0.457	S	S	*	.	S	Bend	trans	-92.9	92.2	-172.1	-74.3	-30.2	0	0	0	112.8	E116 I120	E116-D118 PolarHBondContact O-N 2.73Å; D118-I120 PolarHBondContact O-N 2.64Å
119	S	48.8	Very low	62.9	Low	85 Å²	85	95.9 Å²	95.9	59%	0.594	50%	0.499	S	S	*	.			trans	45.2	64.3	144.4	-142	0	0	0	0	117.4	G117 V121	G117-S119 PolarHBondContact O-N 3.27Å; S119-V121 PolarHBondContact O-N 2.98Å
120	I	47.8	Very low	60.5	Low	94 Å²	94	100.2 Å²	100.2	48%	0.482	52%	0.516	S	S	.	.			trans	-67.7	95.5	163.2	-59.6	177.9	0	0	0	108.8	D118 Y122	D118-I120 PolarHBondContact O-N 2.64Å; I120-Y122 HydrophobicContact CG2-CD1 4.37Å; I120-Y122 HydrophobicContact CG2-CE1 4.39Å; I120-Y122 PolarHBondContact O-N 3.32Å
121	V	42	Very low	58.1	Low	116 Å²	116	111.7 Å²	111.7	70%	0.703	56%	0.559	S	S	*	*			trans	-69.9	111.1	166.3	177.7	0	0	0	0	107.9	S119 T123	S119-V121 PolarHBondContact O-N 2.98Å; V121-T123 PolarHBondContact O-N 3.02Å
122	Y	50.3	Low	55.9	Low	129 Å²	129	120 Å²	120	51%	0.506	59%	0.593	S	S	.	*			trans	-66	85.7	-176.3	-55.8	-80.1	0	0	0	112.6	I120 I157 G158 P159	I120-Y122 HydrophobicContact CG2-CD1 4.37Å; I120-Y122 HydrophobicContact CG2-CE1 4.39Å; I120-Y122 PolarHBondContact O-N 3.32Å; Y122-I157 PolarHBondContact OH-O 3.26Å; Y122-G158 PolarHBondContact OH-O 3.11Å; Y122-P159 WeakPolarHBondContact OH-CA 3.23Å; Y122-P159 VanDerWaalsContact OH-N 3.11Å
123	T	44.6	Very low	53.2	Low	92 Å²	92	122.8 Å²	122.8	56%	0.564	62%	0.623	S	S	*	*			trans	-70.5	149.3	158.4	57.8	0	0	0	0	109.6	V121 N125	V121-T123 PolarHBondContact O-N 3.02Å; T123-N125 PolarHBondContact O-N 2.88Å; T123-N125 VanDerWaalsContact O-N 3.1Å; T123-N125 PolarHBondContact O-OD1 3.42Å
124	T	44.6	Very low	50.9	Low	115 Å²	115	128.3 Å²	128.3	71%	0.706	65%	0.65	S	S	*	*			trans	-67.4	110.6	-173.7	43.8	0	0	0	0	112.6	S126 Q128	T124-S126 PolarHBondContact O-N 2.69Å; T124-Q128 PolarHBondContact O-NE2 3.35Å
125	N	47.8	Very low	49.2	Very low	80 Å²	80	128.2 Å²	128.2	43%	0.428	67%	0.67	S	S	.	*			trans	-75.6	56.4	-173.8	-81.4	-1.6	0	0	0	114.3	L88 T123	L88-N125 HydrophobicContact CB-CB 4.34Å; L88-N125 HydrophobicContact CD1-CB 4.33Å; T123-N125 PolarHBondContact O-N 2.88Å; T123-N125 VanDerWaalsContact O-N 3.1Å; T123-N125 PolarHBondContact O-OD1 3.42Å
126	S	52.9	Low	48	Very low	63 Å²	63	131.6 Å²	131.6	44%	0.441	69%	0.691	S	S	.	*	B	Isolated β-bridge	trans	-80.2	162.5	150.8	61.2	0	0	0	0	109.5	T124 Q128	T124-S126 PolarHBondContact O-N 2.69Å; S126-Q128 PolarHBondContact O-N 2.91Å
127	L	49.1	Very low	46.7	Very low	112 Å²	112	132.6 Å²	132.6	59%	0.586	71%	0.707	S	S	*	*			trans	-68.2	75.9	176.4	-76.5	169.5	0	0	0	112.5	G86 L88 R129	G86-L127 WeakPolarHBondContact O-CD1 3.25Å; G86-L127 VanDerWaalsContact O-CG 3.32Å; G86-L127 WeakPolarHBondContact O-CG 3.24Å; L88-L127 HydrophobicContact CD2-CD2 4.43Å; L127-R129 PolarHBondContact O-N 2.8Å
128	Q	48.3	Very low	46.4	Very low	124 Å²	124	132.3 Å²	132.3	58%	0.579	71%	0.705	S	S	*	*			trans	-60.8	108.9	-178.7	-65.3	-166.9	18.7	0	0	111.5	T124 S126 R130	T124-Q128 PolarHBondContact O-NE2 3.35Å; S126-Q128 PolarHBondContact O-N 2.91Å; Q128-R130 PolarHBondContact O-N 3.32Å
129	R	49.2	Very low	46.4	Very low	240 Å²	240	134.1 Å²	134.1	91%	0.906	71%	0.713	S	S	*	*			trans	-56.4	97.6	169.3	-178.8	-171.9	-62.8	-136.3	1.5	109	L127 R131	L127-R129 PolarHBondContact O-N 2.8Å; R129-R131 PolarHBondContact O-N 2.89Å
130	R	46.3	Very low	46	Very low	239 Å²	239	141.5 Å²	141.5	90%	0.902	73%	0.728	S	S	*	*			trans	-49.8	106.4	-168.8	-60.1	-169.1	88.8	-177.1	9.5	112.2	Q128 K132	Q128-R130 PolarHBondContact O-N 3.32Å; R130-K132 PolarHBondContact O-N 3.45Å
131	R	44.6	Very low	45.8	Very low	244 Å²	244	143 Å²	143	92%	0.921	74%	0.743	S	S	*	*			trans	-73.4	106.4	165.7	-169.5	175.5	-173.5	175.1	2	107.6	R129 G133	R129-R131 PolarHBondContact O-N 2.89Å; R131-G133 PolarHBondContact O-N 3.4Å
132	K	48.2	Very low	45.9	Very low	215 Å²	215	142.5 Å²	142.5	94%	0.935	75%	0.752	S	S	*	*			trans	-68.2	117.6	175.9	-158.4	176.8	-175.1	-176.7	0	108	R130	R130-K132 PolarHBondContact O-N 3.45Å
133	G	37.8	Very low	45.6	Very low	63 Å²	63	141.3 Å²	141.3	65%	0.649	77%	0.769	S	S	*	*			trans	-150.5	152	-175.7	0	0	0	0	0	111.4	R131	R131-G133 PolarHBondContact O-N 3.4Å
134	L	41.9	Very low	45.3	Very low	168 Å²	168	142.8 Å²	142.8	88%	0.88	78%	0.783	S	S	*	*			trans	-69.9	152.3	179.5	-69.5	65.3	0	0	0	109.5
135	G	52.8	Low	45.2	Very low	73 Å²	73	142.6 Å²	142.6	75%	0.753	79%	0.786	S	S	*	*			cis	111.2	23.9	10.3	0	0	0	0	0	114.3
136	L	50.4	Low	44.6	Very low	157 Å²	157	144.1 Å²	144.1	82%	0.822	80%	0.803	S	S	*	*			trans	-146.1	96.9	175.7	-73.6	179	0	0	0	112.3
137	T	38.6	Very low	44.5	Very low	156 Å²	156	147.9 Å²	147.9	96%	0.957	82%	0.817	S	S	*	*			trans	-147.4	62.4	159.3	53.8	0	0	0	0	110.7
138	G	46.2	Very low	44.1	Very low	68 Å²	68	150.7 Å²	150.7	70%	0.701	83%	0.826	S	S	*	*			trans	-137.3	105.5	172.4	0	0	0	0	0	110.3
139	L	42.3	Very low	44	Very low	184 Å²	184	149.8 Å²	149.8	96%	0.963	83%	0.834	S	S	*	*			trans	162.1	109.6	159	-94.1	168.7	0	0	0	109.1
140	R	41.3	Very low	44	Very low	240 Å²	240	147.3 Å²	147.3	91%	0.906	83%	0.83	S	S	*	*			trans	-149.8	123.2	156.7	-166.5	176.2	-174.8	-172.5	1.2	108.9
141	P	42.4	Very low	44	Very low	124 Å²	124	143.4 Å²	143.4	81%	0.805	83%	0.827	S	S	*	*			trans	-75.6	156	-179.5	31.3	-35	0	0	0	111.7
142	A	45.2	Very low	44.6	Very low	107 Å²	107	141.1 Å²	141.1	88%	0.884	82%	0.823	S	S	*	*			trans	-94.3	120.7	179.1	0	0	0	0	0	111.7
143	A	43.9	Very low	45.3	Very low	103 Å²	103	135.9 Å²	135.9	85%	0.851	81%	0.814	S	S	*	*			trans	-174.8	104.7	153.2	0	0	0	0	0	111
144	S	36.8	Very low	46.6	Very low	124 Å²	124	135 Å²	135	87%	0.867	81%	0.805	S	S	*	*			trans	171.5	129.2	140.7	-175.7	0	0	0	0	109.5
145	S	42.6	Very low	48	Very low	111 Å²	111	134.7 Å²	134.7	78%	0.776	80%	0.803	S	S	*	*			trans	-98.9	108	179.9	53.3	0	0	0	0	111.3
146	S	36.9	Very low	48.9	Very low	111 Å²	111	137.3 Å²	137.3	78%	0.776	80%	0.798	S	S	*	*			trans	-112	117.1	162.1	62.6	0	0	0	0	109.8
147	I	49.1	Very low	50.2	Low	142 Å²	142	136.4 Å²	136.4	73%	0.728	79%	0.792	S	S	*	*			trans	-83.6	143.6	-175.9	-66.8	171	0	0	0	109.7
148	H	42	Very low	51.9	Low	171 Å²	171	131 Å²	131	79%	0.792	77%	0.768	S	S	*	*			trans	66	52.6	175.4	-54.4	-32.8	0	0	0	118
149	S	46.3	Very low	53.2	Low	106 Å²	106	129.4 Å²	129.4	74%	0.741	75%	0.745	S	S	*	*				-84.1	115.3	128.8	-173	0	0	0	0	107.4	N151	S149-N151 PolarHBondContact O-N 3.12Å
150	K	49.2	Very low	54.9	Low	187 Å²	187	124.5 Å²	124.5	81%	0.813	72%	0.724	S	S	*	*			trans	-68.3	123.7	167.7	-74.9	-175.7	178.9	179.3	0	106.8	K152	K150-K152 VanDerWaalsContact C-N 3.26Å; K150-K152 PolarHBondContact O-N 2.8Å
151	N	46.6	Very low	56.7	Low	158 Å²	158	119.7 Å²	119.7	85%	0.845	71%	0.712	S	S	*	*			trans	-57.9	93.8	165.5	-80.5	-11.1	0	0	0	108.5	S149 S153	S149-N151 PolarHBondContact O-N 3.12Å; N151-S153 VanDerWaalsContact C-N 3.3Å; N151-S153 PolarHBondContact O-N 3.43Å
152	K	56.5	Low	58.5	Low	195 Å²	195	117.1 Å²	117.1	85%	0.848	69%	0.691	S	S	*	*			trans	-61.5	104.1	151.2	-80.9	-175	174.7	-179.6	0	104.7	K150 G154	K150-K152 VanDerWaalsContact C-N 3.26Å; K150-K152 PolarHBondContact O-N 2.8Å; K152-G154 PolarHBondContact O-N 3.47Å; K152-G154 VanDerWaalsContact O-N 3.13Å
153	S	63.1	Low	60.3	Low	106 Å²	106	116.6 Å²	116.6	74%	0.741	67%	0.669	S	S	*	*			trans	-46.7	122.1	154.5	33.7	0	0	0	0	106.6	N151	N151-S153 VanDerWaalsContact C-N 3.3Å; N151-S153 PolarHBondContact O-N 3.43Å
154	G	63.5	Low	62.1	Low	44 Å²	44	116.8 Å²	116.8	45%	0.454	65%	0.648	S	S	.	*			trans	-54.4	146.8	176.6	0	0	0	0	0	108.9	K152 M156	K152-G154 PolarHBondContact O-N 3.47Å; K152-G154 VanDerWaalsContact O-N 3.13Å; G154-M156 WeakPolarHBondContact O-CE 3.5Å; G154-M156 PolarHBondContact O-N 3.07Å
155	L	71.9	Confident	64.6	Low	162 Å²	162	115.4 Å²	115.4	85%	0.848	63%	0.628	S	S	*	*			trans	-61.3	106.9	175.7	-67	174.3	0	0	0	108	I157	L155-I157 VanDerWaalsContact C-N 3.34Å; L155-I157 PolarHBondContact O-N 3.01Å
156	M	72.3	Confident	66.9	Low	128 Å²	128	113.4 Å²	113.4	63%	0.631	61%	0.608	S	S	*	*			trans	-76.3	87.2	-176.4	-69.5	-63.8	104.8	0	0	109.2	G154 G158	G154-M156 WeakPolarHBondContact O-CE 3.5Å; G154-M156 PolarHBondContact O-N 3.07Å; M156-G158 PolarHBondContact O-N 3.42Å; M156-G158 VanDerWaalsContact O-N 3.14Å
157	I	77.9	Confident	69.6	Low	138 Å²	138	109.7 Å²	109.7	71%	0.708	58%	0.581	S	S	*	*			trans	-77.6	97.7	176	-57.2	176.3	0	0	0	108.1	Y122 L155	Y122-I157 PolarHBondContact OH-O 3.26Å; L155-I157 VanDerWaalsContact C-N 3.34Å; L155-I157 PolarHBondContact O-N 3.01Å
158	G	74.3	Confident	71.8	Confident	43 Å²	43	104.1 Å²	104.1	44%	0.443	56%	0.555	S	S	.	*	P	Polyproline II helix	trans	-62.5	165.3	176.1	0	0	0	0	0	113.1	Y122 M156	Y122-G158 PolarHBondContact OH-O 3.11Å; M156-G158 PolarHBondContact O-N 3.42Å; M156-G158 VanDerWaalsContact O-N 3.14Å
159	P	73.2	Confident	74.4	Confident	33 Å²	33	99.7 Å²	99.7	21%	0.214	54%	0.536	C	S	.	.	P	Polyproline II helix	trans	-63.4	142.1	-177.5	26.8	-35.4	0	0	0	110.4	L78 Y122 Q161	L78-P159 HydrophobicContact CD1-CB 4.48Å; L78-P159 HydrophobicContact CD1-CG 3.92Å; L78-P159 HydrophobicContact CD2-CG 3.91Å; Y122-P159 WeakPolarHBondContact OH-CA 3.23Å; Y122-P159 VanDerWaalsContact OH-N 3.11Å; P159-Q161 WeakPolarHBondContact O-CG 3.39Å; P159-Q161 PolarHBondContact O-N 2.88Å; P159-Q161 PolarHBondContact O-NE2 2.9Å
160	P	78.1	Confident	76.8	Confident	82 Å²	82	96.6 Å²	96.6	53%	0.532	51%	0.511	S	S	.	.	P	Polyproline II helix	trans	-60.9	134.9	178	20.2	-28.9	0	0	0	111.7	F163	P160-F163 HydrophobicContact CB-CE1 4.5Å; P160-F163 HydrophobicContact CB-CE2 3.55Å; P160-F163 HydrophobicContact CB-CZ 3.55Å; P160-F163 HydrophobicContact CG-CE2 3.58Å; P160-F163 HydrophobicContact CG-CZ 3.49Å; P160-F163 VanDerWaalsContact CG-CZ 3.49Å; P160-F163 WeakPolarHBondContact O-CE2 3.36Å
161	Q	79.6	Confident	78.9	Confident	138 Å²	138	90.7 Å²	90.7	65%	0.645	49%	0.489	S	S	*	.			trans	-120.4	157.7	-169.4	-77.7	149.6	68	0	0	111.1	P159 F163	P159-Q161 WeakPolarHBondContact O-CG 3.39Å; P159-Q161 PolarHBondContact O-N 2.88Å; P159-Q161 PolarHBondContact O-NE2 2.9Å; Q161-F163 VanDerWaalsContact C-N 3.33Å; Q161-F163 PolarHBondContact O-N 3.1Å
162	D	80.6	Confident	81.1	Confident	71 Å²	71	87.8 Å²	87.8	38%	0.38	48%	0.476	S	S	.	.	S	Bend	trans	52.7	47.3	176.8	-171	26.1	0	0	0	113.4	N92 N93 R164	N92-D162 PolarHBondContact ND2-N 2.87Å; N93-D162 PolarHBondContact ND2-OD1 3.42Å; D162-R164 PolarHBondContact O-N 3.12Å; D162-R164 PolarHBondContact O-NH1 3.11Å; D162-R164 IonicContact OD1-NH1 3.05Å; D162-R164 IonicContact OD2-CZ 3.71Å; D162-R164 IonicContact OD2-NH1 3.69Å; D162-R164 PolarHBondContact OD2-NH1 3.4Å; D162-R164 IonicContact OD2-NH2 3.15Å
163	F	80.9	Confident	82.8	Confident	95 Å²	95	86.1 Å²	86.1	42%	0.417	48%	0.477	S	S	.	.			trans	-62.6	131.2	174.6	-84.4	-81.9	0	0	0	110.2	P90 N93 N96 P160 Q161	P90-F163 HydrophobicContact CG-CD2 3.45Å; P90-F163 VanDerWaalsContact CG-CD2 3.45Å; P90-F163 HydrophobicContact CG-CE2 3.71Å; P90-F163 HydrophobicContact CG-CG 4.41Å; N93-F163 PolarHBondContact ND2-O 3.16Å; N96-F163 PolarHBondContact ND2-O 2.94Å; P160-F163 HydrophobicContact CB-CE1 4.5Å; P160-F163 HydrophobicContact CB-CE2 3.55Å; P160-F163 HydrophobicContact CB-CZ 3.55Å; P160-F163 HydrophobicContact CG-CE2 3.58Å; P160-F163 HydrophobicContact CG-CZ 3.49Å; P160-F163 VanDerWaalsContact CG-CZ 3.49Å; P160-F163 WeakPolarHBondContact O-CE2 3.36Å; Q161-F163 VanDerWaalsContact C-N 3.33Å; Q161-F163 PolarHBondContact O-N 3.1Å
164	R	82.9	Confident	84.4	Confident	108 Å²	108	87.3 Å²	87.3	41%	0.408	47%	0.473	S	S	.	.			trans	-158.5	147.8	-177.2	61.6	-168.5	-177.1	-93.5	15.9	110.8	D162 I166 Y187	D162-R164 PolarHBondContact O-N 3.12Å; D162-R164 PolarHBondContact O-NH1 3.11Å; D162-R164 IonicContact OD1-NH1 3.05Å; D162-R164 IonicContact OD2-CZ 3.71Å; D162-R164 IonicContact OD2-NH1 3.69Å; D162-R164 PolarHBondContact OD2-NH1 3.4Å; D162-R164 IonicContact OD2-NH2 3.15Å; R164-I166 HydrophobicContact CG-CD1 3.94Å; R164-I166 PolarHBondContact O-N 3.3Å; R164-I166 VanDerWaalsContact O-N 3.15Å; R164-Y187 HydrophobicContact CB-CD2 4.14Å; R164-Y187 HydrophobicContact CB-CE1 4.39Å; R164-Y187 HydrophobicContact CB-CE2 3.65Å; R164-Y187 HydrophobicContact CG-CD2 3.72Å; R164-Y187 HydrophobicContact CG-CE2 3.67Å; R164-Y187 HydrophobicContact CG-CG 4.3Å
165	Q	88.1	Confident	85.8	Confident	94 Å²	94	86.7 Å²	86.7	44%	0.439	46%	0.46	S	S	.	.			trans	-85.8	88.5	-170.3	-172	-168.6	-14.6	0	0	111.5	S167 S168 H185 Y187	Q165-S167 VanDerWaalsContact C-N 3.29Å; Q165-S167 PolarHBondContact NE2-O 2.71Å; Q165-S167 PolarHBondContact O-N 2.84Å; Q165-S168 VanDerWaalsContact NE2-CB 3.31Å; Q165-S168 PolarHBondContact NE2-OG 3.3Å; Q165-S168 VanDerWaalsContact NE2-OG 3.12Å; Q165-H185 VanDerWaalsContact CD-NE2 3.28Å; Q165-H185 PolarHBondContact NE2-NE2 2.95Å; Q165-H185 WeakPolarHBondContact O-CB 3.45Å; Q165-H185 PolarHBondContact O-CE1 3.45Å; Q165-H185 PolarHBondContact O-ND1 3.15Å; Q165-H185 PolarHBondContact OE1-NE2 2.82Å; Q165-Y187 PolarHBondContact N-OH 3.11Å; Q165-Y187 VanDerWaalsContact N-OH 3.11Å
166	I	91.3	Very high	86.9	Confident	70 Å²	70	82.2 Å²	82.2	36%	0.359	44%	0.44	S	S	.	.			trans	-56	-40	-176.6	-53	-56.9	0	0	0	113.2	R164 H185 Y187 L226 T230	R164-I166 HydrophobicContact CG-CD1 3.94Å; R164-I166 PolarHBondContact O-N 3.3Å; R164-I166 VanDerWaalsContact O-N 3.15Å; I166-H185 VanDerWaalsContact C-CE1 3.46Å; I166-H185 PolarHBondContact O-CE1 3.36Å; I166-H185 PolarHBondContact O-N 2.84Å; I166-Y187 HydrophobicContact CD1-CD2 3.87Å; I166-Y187 HydrophobicContact CD1-CE2 4.13Å; I166-L226 HydrophobicContact CG2-CD1 3.34Å; I166-T230 HydrophobicContact CG2-CG2 4.35Å
167	S	94.6	Very high	87.8	Confident	32 Å²	32	84.6 Å²	84.6	22%	0.224	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	176.6	178	62.6	0	0	0	0	113.8	Q165 R183	Q165-S167 VanDerWaalsContact C-N 3.29Å; Q165-S167 PolarHBondContact NE2-O 2.71Å; Q165-S167 PolarHBondContact O-N 2.84Å; S167-R183 CarbonylContact C-O 3.48Å; S167-R183 WeakPolarHBondContact CA-O 3.1Å; S167-R183 WeakPolarHBondContact CB-O 3.38Å
168	S	95.8	Very high	88.4	Confident	26 Å²	26	81 Å²	81	18%	0.182	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	152.4	164.4	45.9	0	0	0	0	111.2	Q165 R183	Q165-S168 VanDerWaalsContact NE2-CB 3.31Å; Q165-S168 PolarHBondContact NE2-OG 3.3Å; Q165-S168 VanDerWaalsContact NE2-OG 3.12Å; S168-R183 PolarHBondContact N-O 3.07Å; S168-R183 PolarHBondContact O-N 2.83Å
169	I	96.1	Very high	89.4	Confident	77 Å²	77	83.3 Å²	83.3	40%	0.395	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	139.7	156.1	-51.2	174.7	0	0	0	107.3	V172 R180 R181 L232	I169-V172 HydrophobicContact CB-CG2 4.49Å; I169-V172 HydrophobicContact CG2-CG2 3.6Å; I169-R180 HydrophobicContact CG2-CG 4.18Å; I169-R181 WeakPolarHBondContact CA-O 3.2Å; I169-L232 HydrophobicContact CD1-CD2 3.9Å; I169-L232 HydrophobicContact CG1-CD1 4.1Å; I169-L232 HydrophobicContact CG1-CD2 3.77Å
170	I	95.3	Very high	90.5	Very high	41 Å²	41	82.8 Å²	82.8	21%	0.21	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	166.7	176.1	63.4	174	0	0	0	110.6	V172 R181 I267	I170-V172 PolarHBondContact O-N 2.8Å; I170-V172 VanDerWaalsContact O-N 3.1Å; I170-R181 HydrophobicContact CD1-CG 3.98Å; I170-R181 HydrophobicContact CG1-CB 4.07Å; I170-R181 HydrophobicContact CG1-CG 3.68Å; I170-R181 PolarHBondContact N-O 3.3Å; I170-I267 HydrophobicContact CD1-CD1 4.25Å; I170-I267 HydrophobicContact CD1-CG2 3.91Å
171	D	94.6	Very high	91.4	Very high	64 Å²	64	80.9 Å²	80.9	34%	0.342	41%	0.409	S	S	.	.			trans	58.6	24.4	170.1	-55.6	-21	0	0	0	115.5	D173 I174 L175 R181	D171-D173 VanDerWaalsContact C-N 3.28Å; D171-D173 PolarHBondContact O-N 2.78Å; D171-I174 HydrophobicContact CB-CD1 3.94Å; D171-I174 HydrophobicContact CB-CG1 3.73Å; D171-I174 WeakPolarHBondContact O-CG1 3.47Å; D171-I174 PolarHBondContact O-N 2.71Å; D171-I174 VanDerWaalsContact O-N 3.16Å; D171-L175 HydrophobicContact CB-CD1 3.81Å; D171-L175 HydrophobicContact CB-CG 4.21Å; D171-L175 WeakPolarHBondContact O-CB 3.36Å; D171-L175 WeakPolarHBondContact O-CG 3.06Å; D171-L175 PolarHBondContact O-N 2.75Å; D171-L175 VanDerWaalsContact O-N 3.11Å; D171-R181 WeakPolarHBondContact OD2-CD 3.39Å; D171-R181 IonicContact OD2-CZ 3.56Å; D171-R181 IonicContact OD2-NE 3.51Å; D171-R181 IonicContact OD2-NH1 2.74Å; D171-R181 PolarHBondContact OD2-NH1 3.4Å
172	V	92.1	Very high	92.3	Very high	96 Å²	96	74.3 Å²	74.3	58%	0.582	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-40.9	-177.4	-179.1	0	0	0	0	112.3	I169 I170 I174	I169-V172 HydrophobicContact CB-CG2 4.49Å; I169-V172 HydrophobicContact CG2-CG2 3.6Å; I170-V172 PolarHBondContact O-N 2.8Å; I170-V172 VanDerWaalsContact O-N 3.1Å; V172-I174 VanDerWaalsContact C-N 3.31Å; V172-I174 PolarHBondContact O-N 3.36Å
173	D	93.4	Very high	93.1	Very high	161 Å²	161	74.8 Å²	74.8	86%	0.861	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-7.4	-174.6	-46.1	-64.7	0	0	0	114	D171	D171-D173 VanDerWaalsContact C-N 3.28Å; D171-D173 PolarHBondContact O-N 2.78Å
174	I	95.3	Very high	93.8	Very high	130 Å²	130	70.3 Å²	70.3	67%	0.667	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.5	-6.3	-177.1	66	168.7	0	0	0	113.8	D171 V172	D171-I174 HydrophobicContact CB-CD1 3.94Å; D171-I174 HydrophobicContact CB-CG1 3.73Å; D171-I174 WeakPolarHBondContact O-CG1 3.47Å; D171-I174 PolarHBondContact O-N 2.71Å; D171-I174 VanDerWaalsContact O-N 3.16Å; V172-I174 VanDerWaalsContact C-N 3.31Å; V172-I174 PolarHBondContact O-N 3.36Å
175	L	94.1	Very high	94.3	Very high	32 Å²	32	66.1 Å²	66.1	17%	0.168	34%	0.34	C	S	.	.	S	Bend	trans	-98.4	152.8	175.2	-73.1	166.6	0	0	0	110.7	D171 R181 T269	D171-L175 HydrophobicContact CB-CD1 3.81Å; D171-L175 HydrophobicContact CB-CG 4.21Å; D171-L175 WeakPolarHBondContact O-CB 3.36Å; D171-L175 WeakPolarHBondContact O-CG 3.06Å; D171-L175 PolarHBondContact O-N 2.75Å; D171-L175 VanDerWaalsContact O-N 3.11Å; L175-R181 HydrophobicContact CD1-CB 3.39Å; L175-T269 HydrophobicContact CD2-CG2 4.45Å
176	P	94.6	Very high	94.4	Very high	67 Å²	67	63.2 Å²	63.2	44%	0.435	33%	0.326	S	S	.	.			trans	-56.5	139.9	165.9	-22.8	33.9	0	0	0	111.1	S178 Y179	P176-S178 PolarHBondContact O-N 3.31Å; P176-Y179 HydrophobicContact CB-CD2 4.26Å; P176-Y179 HydrophobicContact CB-CG 4.41Å; P176-Y179 HydrophobicContact CG-CD2 3.87Å; P176-Y179 HydrophobicContact CG-CE2 4.02Å; P176-Y179 WeakPolarHBondContact O-CA 3.35Å; P176-Y179 PolarHBondContact O-N 3.21Å
177	E	90.4	Very high	94	Very high	179 Å²	179	61.9 Å²	61.9	84%	0.836	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-23	178.5	-176.7	178.3	-164.8	0	0	113.6	Y179 Q275	E177-Y179 PolarHBondContact O-N 3.26Å; E177-Q275 PolarHBondContact O-NE2 2.9Å
178	S	91.3	Very high	92.7	Very high	63 Å²	63	64.9 Å²	64.9	44%	0.441	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-12.1	172.9	54.9	0	0	0	0	114	P176 P272	P176-S178 PolarHBondContact O-N 3.31Å; S178-P272 VanDerWaalsContact O-CD 3.25Å; S178-P272 WeakPolarHBondContact O-CD 3.25Å
179	Y	94.6	Very high	91.3	Very high	90 Å²	90	66.1 Å²	66.1	35%	0.353	36%	0.362	S	S	.	.			trans	-112.8	160.4	-179.1	-60.4	-11	0	0	0	111.7	P176 E177 L240 V270 K271	P176-Y179 HydrophobicContact CB-CD2 4.26Å; P176-Y179 HydrophobicContact CB-CG 4.41Å; P176-Y179 HydrophobicContact CG-CD2 3.87Å; P176-Y179 HydrophobicContact CG-CE2 4.02Å; P176-Y179 WeakPolarHBondContact O-CA 3.35Å; P176-Y179 PolarHBondContact O-N 3.21Å; E177-Y179 PolarHBondContact O-N 3.26Å; Y179-L240 HydrophobicContact CD1-CD1 3.75Å; Y179-L240 HydrophobicContact CD2-CD1 3.85Å; Y179-L240 HydrophobicContact CE1-CD1 3.55Å; Y179-L240 HydrophobicContact CE2-CD1 3.63Å; Y179-L240 HydrophobicContact CG-CD1 3.93Å; Y179-L240 VanDerWaalsContact CZ-CD1 3.48Å; Y179-V270 CarbonylContact C-O 3.19Å; Y179-V270 VanDerWaalsContact CA-O 3.29Å; Y179-V270 WeakPolarHBondContact CA-O 3.34Å; Y179-K271 HydrophobicContact CD1-CB 3.77Å; Y179-K271 HydrophobicContact CD1-CG 4.23Å; Y179-K271 HydrophobicContact CE1-CB 3.98Å; Y179-K271 HydrophobicContact CE1-CD 4.12Å; Y179-K271 HydrophobicContact CE1-CG 4.2Å
180	R	96.5	Very high	90.3	Very high	23 Å²	23	72.9 Å²	72.9	9%	0.087	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	120.6	177.5	-179.5	-171.4	-75.6	-169.9	-10.2	108.6	I169 V182 L232 V270 P272 N278	I169-R180 HydrophobicContact CG2-CG 4.18Å; R180-V182 HydrophobicContact CG-CG2 3.76Å; R180-L232 WeakPolarHBondContact CD-O 3.5Å; R180-L232 PolarHBondContact NH1-O 3.18Å; R180-V270 HydrophobicContact CB-CG2 4.17Å; R180-V270 PolarHBondContact N-O 2.87Å; R180-V270 PolarHBondContact O-N 3.06Å; R180-P272 HydrophobicContact CB-CG 4.13Å; R180-N278 PolarHBondContact NH2-O 2.86Å
181	R	97.8	Very high	89.8	Confident	41 Å²	41	77.8 Å²	77.8	16%	0.155	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	114.7	171.7	-172.4	177.5	-76.8	160.2	-3.3	109.9	I169 I170 D171 L175 E241 I267 V268 T269	I169-R181 WeakPolarHBondContact CA-O 3.2Å; I170-R181 HydrophobicContact CD1-CG 3.98Å; I170-R181 HydrophobicContact CG1-CB 4.07Å; I170-R181 HydrophobicContact CG1-CG 3.68Å; I170-R181 PolarHBondContact N-O 3.3Å; D171-R181 WeakPolarHBondContact OD2-CD 3.39Å; D171-R181 IonicContact OD2-CZ 3.56Å; D171-R181 IonicContact OD2-NE 3.51Å; D171-R181 IonicContact OD2-NH1 2.74Å; D171-R181 PolarHBondContact OD2-NH1 3.4Å; L175-R181 HydrophobicContact CD1-CB 3.39Å; R181-E241 IonicContact CZ-OE2 2.73Å; R181-E241 IonicContact NE-OE2 2.71Å; R181-E241 IonicContact NH2-OE1 3.66Å; R181-E241 IonicContact NH2-OE2 2.64Å; R181-E241 PolarHBondContact NH2-OE2 3.04Å; R181-I267 HydrophobicContact CG-CG2 3.6Å; R181-V268 CarbonylContact C-O 3.56Å; R181-V268 WeakPolarHBondContact CA-O 3.29Å; R181-T269 PolarHBondContact NE-OG1 3.17Å
182	V	97.6	Very high	89.6	Confident	0 Å²	0	77.3 Å²	77.3	0%	0	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	129.7	-175.6	-178.7	0	0	0	0	109.1	R180 L184 L232 L233 I267 V268	R180-V182 HydrophobicContact CG-CG2 3.76Å; V182-L184 HydrophobicContact CG1-CD2 3.85Å; V182-L184 HydrophobicContact CG1-CG 4.16Å; V182-L232 HydrophobicContact CG1-CB 3.77Å; V182-L232 HydrophobicContact CG1-CD1 3.81Å; V182-L232 HydrophobicContact CG1-CG 4.46Å; V182-L232 HydrophobicContact CG2-CB 3.94Å; V182-L233 HydrophobicContact CB-CD2 4.24Å; V182-L233 HydrophobicContact CG2-CD2 3.9Å; V182-I267 CarbonylContact O-C 3.53Å; V182-I267 WeakPolarHBondContact O-CA 3.38Å; V182-V268 PolarHBondContact N-O 3.41Å; V182-V268 PolarHBondContact O-N 3.4Å
183	R	97.4	Very high	89.6	Confident	82 Å²	82	72.8 Å²	72.8	31%	0.309	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	130.3	169.2	-175.4	171.9	-178.8	-175.5	-2.9	109.7	S167 S168 H185 N265 L266 I267	S167-R183 CarbonylContact C-O 3.48Å; S167-R183 WeakPolarHBondContact CA-O 3.1Å; S167-R183 WeakPolarHBondContact CB-O 3.38Å; S168-R183 PolarHBondContact N-O 3.07Å; S168-R183 PolarHBondContact O-N 2.83Å; R183-H185 WeakPolarHBondContact CD-NE2 3.45Å; R183-H185 PolarHBondContact NE-NE2 2.97Å; R183-N265 VanDerWaalsContact CZ-OD1 3.23Å; R183-N265 PolarHBondContact NE-OD1 2.83Å; R183-N265 PolarHBondContact NH2-OD1 3.1Å; R183-L266 CarbonylContact C-O 3.5Å; R183-L266 WeakPolarHBondContact CA-O 3.21Å; R183-I267 HydrophobicContact CB-CG1 4.14Å; R183-I267 HydrophobicContact CG-CG1 3.87Å
184	L	95.7	Very high	89.6	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	133.1	177.5	-60.2	-179.5	0	0	0	110	V182 F195 L226 T230 L233 L266	V182-L184 HydrophobicContact CG1-CD2 3.85Å; V182-L184 HydrophobicContact CG1-CG 4.16Å; L184-F195 HydrophobicContact CD1-CE1 4.42Å; L184-L226 HydrophobicContact CB-CD2 4.41Å; L184-T230 HydrophobicContact CD2-CG2 3.83Å; L184-L233 HydrophobicContact CD1-CD1 4.05Å; L184-L266 PolarHBondContact N-O 2.89Å; L184-L266 PolarHBondContact O-N 3.21Å
185	H	93.3	Very high	89.7	Confident	20 Å²	20	59 Å²	59	9%	0.093	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	120.1	174.1	-61.4	94.8	0	0	0	110.4	Q165 I166 R183 Y187 H264 N265	Q165-H185 VanDerWaalsContact CD-NE2 3.28Å; Q165-H185 PolarHBondContact NE2-NE2 2.95Å; Q165-H185 WeakPolarHBondContact O-CB 3.45Å; Q165-H185 PolarHBondContact O-CE1 3.45Å; Q165-H185 PolarHBondContact O-ND1 3.15Å; Q165-H185 PolarHBondContact OE1-NE2 2.82Å; I166-H185 VanDerWaalsContact C-CE1 3.46Å; I166-H185 PolarHBondContact O-CE1 3.36Å; I166-H185 PolarHBondContact O-N 2.84Å; R183-H185 WeakPolarHBondContact CD-NE2 3.45Å; R183-H185 PolarHBondContact NE-NE2 2.97Å; H185-Y187 HydrophobicContact CB-CD2 4.17Å; H185-Y187 HydrophobicContact CB-CE1 4.1Å; H185-Y187 HydrophobicContact CB-CE2 3.54Å; H185-H264 WeakPolarHBondContact CA-O 3.37Å; H185-N265 PolarHBondContact CD2-OD1 2.79Å
186	K	90.7	Very high	89.9	Confident	34 Å²	34	58.4 Å²	58.4	15%	0.148	30%	0.304	C	S	.	.			trans	-97.9	101.5	-178.7	172.9	177	155.1	173.6	0	110.4	K191 L193 L226 S263 H264	K186-K191 WeakPolarHBondContact CE-O 3.35Å; K186-K191 PolarHBondContact NZ-O 3.02Å; K186-L193 HydrophobicContact CB-CD2 4.37Å; K186-L193 HydrophobicContact CD-CD2 4.28Å; K186-L226 HydrophobicContact CB-CD2 4.21Å; K186-S263 WeakPolarHBondContact CB-O 3.28Å; K186-H264 PolarHBondContact N-O 3.23Å; K186-H264 PolarHBondContact O-ND1 2.82Å
187	Y	82.3	Confident	90	Very high	41 Å²	41	55.5 Å²	55.5	16%	0.161	29%	0.285	C	S	.	.			trans	-96.2	142.3	-174.1	-64.4	-60.7	0	0	0	114.3	E95 R164 Q165 I166 H185 S189	E95-Y187 WeakPolarHBondContact OE1-CD1 3.34Å; E95-Y187 WeakPolarHBondContact OE1-CE1 3.5Å; E95-Y187 WeakPolarHBondContact OE2-CE1 3.3Å; E95-Y187 VanDerWaalsContact OE2-CZ 3.25Å; E95-Y187 PolarHBondContact OE2-OH 3.3Å; R164-Y187 HydrophobicContact CB-CD2 4.14Å; R164-Y187 HydrophobicContact CB-CE1 4.39Å; R164-Y187 HydrophobicContact CB-CE2 3.65Å; R164-Y187 HydrophobicContact CG-CD2 3.72Å; R164-Y187 HydrophobicContact CG-CE2 3.67Å; R164-Y187 HydrophobicContact CG-CG 4.3Å; Q165-Y187 PolarHBondContact N-OH 3.11Å; Q165-Y187 VanDerWaalsContact N-OH 3.11Å; I166-Y187 HydrophobicContact CD1-CD2 3.87Å; I166-Y187 HydrophobicContact CD1-CE2 4.13Å; H185-Y187 HydrophobicContact CB-CD2 4.17Å; H185-Y187 HydrophobicContact CB-CE1 4.1Å; H185-Y187 HydrophobicContact CB-CE2 3.54Å; Y187-S189 WeakPolarHBondContact O-CB 2.97Å; Y187-S189 PolarHBondContact O-N 2.84Å; Y187-S189 PolarHBondContact O-OG 3.23Å
188	G	67.9	Low	90.4	Very high	96 Å²	96	51 Å²	51	99%	0.99	26%	0.26	S	S	*	.	S	Bend	trans	57.1	7.6	157.1	0	0	0	0	0	117.8
189	S	65.8	Low	90.6	Very high	52 Å²	52	52.3 Å²	52.3	36%	0.364	26%	0.262	S	S	.	.	S	Bend	trans	-148.8	140.5	-166	61.8	0	0	0	0	112.9	Y187 K191	Y187-S189 WeakPolarHBondContact O-CB 2.97Å; Y187-S189 PolarHBondContact O-N 2.84Å; Y187-S189 PolarHBondContact O-OG 3.23Å; S189-K191 PolarHBondContact O-N 3.49Å; S189-K191 VanDerWaalsContact O-N 3.09Å
190	K	75.4	Confident	90.6	Very high	218 Å²	218	49.1 Å²	49.1	95%	0.948	26%	0.257	S	S	*	.			trans	-72.3	12.4	168.7	-61	-174.8	178.5	-176.9	0	112.7
191	K	84.2	Confident	90.5	Very high	145 Å²	145	52.2 Å²	52.2	63%	0.63	28%	0.278	S	S	*	.			trans	-69.2	151	-177.6	-75.8	-175.9	174.5	-174.1	0	110.8	K186 S189	K186-K191 WeakPolarHBondContact CE-O 3.35Å; K186-K191 PolarHBondContact NZ-O 3.02Å; S189-K191 PolarHBondContact O-N 3.49Å; S189-K191 VanDerWaalsContact O-N 3.09Å
192	P	90.6	Very high	90.2	Very high	54 Å²	54	50.4 Å²	50.4	35%	0.351	27%	0.271	S	S	.	.			trans	-58.6	158.5	167.4	21.9	-31.2	0	0	0	112.3	G194 T419 L420	P192-G194 PolarHBondContact O-N 2.66Å; P192-T419 HydrophobicContact CB-CG2 4.29Å; P192-L420 WeakPolarHBondContact CA-OXT 3.3Å; P192-L420 WeakPolarHBondContact CB-O 3.38Å; P192-L420 WeakPolarHBondContact CB-OXT 3.38Å
193	L	92.9	Very high	89.8	Confident	1 Å²	1	54.4 Å²	54.4	1%	0.005	30%	0.296	C	S	.	.			trans	-59.4	-23.8	164.3	-69.7	167.7	0	0	0	111.2	K186 F195 L226 A227 S263 L266 L420	K186-L193 HydrophobicContact CB-CD2 4.37Å; K186-L193 HydrophobicContact CD-CD2 4.28Å; L193-F195 HydrophobicContact CB-CD1 3.9Å; L193-F195 HydrophobicContact CB-CE1 3.76Å; L193-F195 HydrophobicContact CD1-CE1 4.01Å; L193-F195 HydrophobicContact CD1-CZ 4.48Å; L193-F195 HydrophobicContact CG-CE1 4.46Å; L193-L226 HydrophobicContact CD2-CD2 4.09Å; L193-L226 WeakPolarHBondContact O-CB 3.47Å; L193-L226 PolarHBondContact O-N 3.3Å; L193-A227 PolarHBondContact O-N 2.99Å; L193-S263 WeakPolarHBondContact CD2-O 3.25Å; L193-L266 HydrophobicContact CD1-CD2 3.67Å; L193-L420 VanDerWaalsContact N-C 3.32Å; L193-L420 PolarHBondContact N-O 2.07Å; L193-L420 VanDerWaalsContact N-O 3.13Å; L193-L420 PolarHBondContact N-OXT 2.83Å
194	G	94	Very high	89.4	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	30%	0.295	C	S	.	.	S	Bend	trans	85.9	30.1	169	0	0	0	0	0	112.8	P192 V222 L420	P192-G194 PolarHBondContact O-N 2.66Å; G194-V222 PolarHBondContact O-N 2.89Å; G194-L420 PolarHBondContact N-O 2.81Å
195	F	96.9	Very high	89	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	161.3	167.1	69.5	-82.8	0	0	0	110.3	L184 L193 I197 I218 R220 L221 A227 L233 I239 M259 L266	L184-F195 HydrophobicContact CD1-CE1 4.42Å; L193-F195 HydrophobicContact CB-CD1 3.9Å; L193-F195 HydrophobicContact CB-CE1 3.76Å; L193-F195 HydrophobicContact CD1-CE1 4.01Å; L193-F195 HydrophobicContact CD1-CZ 4.48Å; L193-F195 HydrophobicContact CG-CE1 4.46Å; F195-I197 HydrophobicContact CD2-CG2 4.07Å; F195-I197 HydrophobicContact CE2-CG2 3.84Å; F195-I218 HydrophobicContact CB-CG2 4.37Å; F195-I218 HydrophobicContact CD2-CD1 4.27Å; F195-I218 HydrophobicContact CD2-CG1 4.22Å; F195-R220 CarbonylContact C-O 3.58Å; F195-R220 WeakPolarHBondContact CA-O 3.48Å; F195-L221 HydrophobicContact CB-CD2 3.68Å; F195-A227 HydrophobicContact CB-CB 3.98Å; F195-A227 HydrophobicContact CD1-CB 3.77Å; F195-A227 HydrophobicContact CG-CB 4.27Å; F195-L233 HydrophobicContact CE1-CD1 4.47Å; F195-I239 HydrophobicContact CE2-CD1 4.29Å; F195-M259 HydrophobicContact CE2-CE 4.44Å; F195-M259 HydrophobicContact CE2-SD 3.88Å; F195-M259 HydrophobicContact CZ-SD 3.89Å; F195-L266 HydrophobicContact CE1-CD2 4.41Å; F195-L266 HydrophobicContact CZ-CD2 4.2Å
196	Y	97.3	Very high	88.7	Confident	21 Å²	21	61.2 Å²	61.2	8%	0.082	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	146	179.2	-69	-110	0	0	0	107.6	I218 S219 R220 V222 V417 I418 T419	Y196-I218 CarbonylContact O-C 3.46Å; Y196-I218 WeakPolarHBondContact O-CA 3.44Å; Y196-S219 VanDerWaalsContact C-OG 3.24Å; Y196-S219 WeakPolarHBondContact CB-OG 3.4Å; Y196-S219 PolarHBondContact O-N 2.8Å; Y196-S219 PolarHBondContact O-OG 2.52Å; Y196-R220 HydrophobicContact CD2-CB 4.12Å; Y196-R220 HydrophobicContact CD2-CG 4.27Å; Y196-R220 HydrophobicContact CG-CB 4.31Å; Y196-R220 VanDerWaalsContact CZ-CZ 3.46Å; Y196-R220 PolarHBondContact N-O 3.16Å; Y196-R220 PolarHBondContact OH-NH1 3.31Å; Y196-R220 PolarHBondContact OH-NH2 2.96Å; Y196-V222 HydrophobicContact CD2-CG2 4.37Å; Y196-V222 HydrophobicContact CE2-CG2 3.63Å; Y196-V417 HydrophobicContact CD1-CG1 3.44Å; Y196-V417 VanDerWaalsContact CD1-CG1 3.44Å; Y196-V417 HydrophobicContact CE1-CG1 3.85Å; Y196-V417 HydrophobicContact CG-CG1 4.32Å; Y196-I418 WeakPolarHBondContact CD1-O 2.97Å; Y196-T419 HydrophobicContact CE1-CG2 4.22Å; Y196-T419 WeakPolarHBondContact CE1-OG1 3.26Å; Y196-T419 HydrophobicContact CE2-CG2 4.46Å; Y196-T419 VanDerWaalsContact CZ-OG1 3.28Å; Y196-T419 WeakPolarHBondContact OH-CG2 3.12Å; Y196-T419 PolarHBondContact OH-OG1 2.7Å
197	I	97.9	Very high	88.5	Confident	5 Å²	5	66 Å²	66	3%	0.026	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	166.4	172.4	59.2	175.8	0	0	0	110.6	F195 V216 F217 S219 I239 L252 V255 M259 L420	F195-I197 HydrophobicContact CD2-CG2 4.07Å; F195-I197 HydrophobicContact CE2-CG2 3.84Å; I197-V216 HydrophobicContact CB-CG1 3.81Å; I197-V216 HydrophobicContact CD1-CG1 4.06Å; I197-V216 HydrophobicContact CG1-CG1 4.43Å; I197-V216 HydrophobicContact CG2-CG1 4.16Å; I197-F217 CarbonylContact C-O 3.57Å; I197-F217 VanDerWaalsContact CA-O 3.28Å; I197-F217 WeakPolarHBondContact CA-O 3.36Å; I197-S219 PolarHBondContact O-OG 2.73Å; I197-S219 VanDerWaalsContact O-OG 3.07Å; I197-I239 HydrophobicContact CG2-CD1 3.59Å; I197-L252 HydrophobicContact CB-CD1 4.29Å; I197-L252 HydrophobicContact CD1-CD1 3.77Å; I197-L252 HydrophobicContact CD1-CG 4.41Å; I197-L252 HydrophobicContact CG1-CD1 3.84Å; I197-L252 HydrophobicContact CG1-CG 4.46Å; I197-V255 HydrophobicContact CD1-CB 4.31Å; I197-V255 HydrophobicContact CD1-CG1 3.91Å; I197-M259 HydrophobicContact CD1-CE 4.44Å; I197-M259 HydrophobicContact CD1-SD 4.18Å; I197-M259 HydrophobicContact CG2-CE 4.23Å; I197-M259 HydrophobicContact CG2-SD 4.2Å; I197-L420 HydrophobicContact CD1-CD1 4.03Å; I197-L420 HydrophobicContact CG1-CD1 3.97Å
198	R	97.6	Very high	88.8	Confident	85 Å²	85	71.7 Å²	71.7	32%	0.321	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	160	170.6	61.9	173.2	176.5	71.4	1.1	109.3	V216 F217 N236	R198-V216 WeakPolarHBondContact O-CA 3.19Å; R198-F217 HydrophobicContact CG-CB 4.22Å; R198-F217 PolarHBondContact N-O 3.07Å; R198-F217 PolarHBondContact O-N 3.06Å; R198-N236 PolarHBondContact NH2-OD1 2.94Å
199	D	96.7	Very high	89.9	Confident	90 Å²	90	68.8 Å²	68.8	48%	0.481	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	166.1	162.1	-67.4	-50.4	0	0	0	111.8	G215	D199-G215 CarbonylContact C-O 3.49Å
200	G	94.5	Very high	91.2	Very high	23 Å²	23	71.6 Å²	71.6	24%	0.237	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.7	-172.3	175	0	0	0	0	0	110.8	G215	G200-G215 PolarHBondContact N-O 3.35Å; G200-G215 PolarHBondContact O-N 3.4Å
201	V	93.7	Very high	92	Very high	89 Å²	89	65.8 Å²	65.8	54%	0.539	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	119	178.7	179.1	0	0	0	0	109	K212 V213	V201-K212 HydrophobicContact CG1-CB 3.57Å; V201-K212 HydrophobicContact CG1-CD 4.24Å; V201-K212 HydrophobicContact CG1-CG 3.81Å; V201-V213 CarbonylContact C-O 3.48Å; V201-V213 WeakPolarHBondContact CA-O 3.48Å
202	S	91.4	Very high	92.4	Very high	2 Å²	2	66.9 Å²	66.9	1%	0.014	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	133.5	167.4	-175.2	0	0	0	0	109.4	R204 V213 E238	S202-R204 PolarHBondContact OG-NE 3.49Å; S202-V213 PolarHBondContact N-O 2.99Å; S202-V213 PolarHBondContact O-N 3.07Å; S202-E238 WeakPolarHBondContact CB-OE1 3.47Å; S202-E238 PolarHBondContact OG-OE1 3.37Å; S202-E238 PolarHBondContact OG-OE2 3.36Å
203	V	90.1	Very high	92.5	Very high	84 Å²	84	65.6 Å²	65.6	51%	0.509	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	118.8	170.3	-178.7	0	0	0	0	107.7	V210 E211 K212	V203-V210 HydrophobicContact CG1-CG1 3.4Å; V203-E211 WeakPolarHBondContact CA-O 3.28Å; V203-K212 HydrophobicContact CG2-CG 4.43Å
204	R	88.5	Confident	92.6	Very high	80 Å²	80	70.7 Å²	70.7	30%	0.302	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	143.8	-178.4	-60.7	-170.9	-177.6	178.9	-3.1	109.9	S202 E211 V213 E238	S202-R204 PolarHBondContact OG-NE 3.49Å; R204-E211 PolarHBondContact N-O 2.8Å; R204-E211 PolarHBondContact O-N 2.84Å; R204-V213 HydrophobicContact CG-CG2 3.96Å; R204-E238 IonicContact CZ-OE1 3.56Å; R204-E238 IonicContact NE-OE1 3.38Å; R204-E238 IonicContact NH2-OE1 2.76Å; R204-E238 PolarHBondContact NH2-OE1 2.74Å
205	V	87.3	Confident	92.6	Very high	130 Å²	130	71.2 Å²	71.2	79%	0.788	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.1	115.8	172.6	-176.7	0	0	0	0	107.3
206	T	86.2	Confident	92.7	Very high	36 Å²	36	71.5 Å²	71.5	22%	0.221	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	163.3	175.1	61.8	0	0	0	0	109.3	Q208 G209 E211	T206-Q208 PolarHBondContact O-N 3.1Å; T206-G209 PolarHBondContact N-O 3.36Å; T206-G209 PolarHBondContact O-N 3.24Å; T206-G209 VanDerWaalsContact O-O 3.05Å; T206-G209 PolarHBondContact OG1-O 2.81Å; T206-E211 HydrophobicContact CG2-CB 4.24Å
207	P	87.8	Confident	92.7	Very high	134 Å²	134	71.6 Å²	71.6	87%	0.87	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-18.4	173.4	-27.1	36.1	0	0	0	114.4
208	Q	88	Confident	92.7	Very high	161 Å²	161	71.3 Å²	71.3	75%	0.752	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-11	178.8	-62.4	77.9	6.8	0	0	113.4	T206	T206-Q208 PolarHBondContact O-N 3.1Å
209	G	91.4	Very high	92.7	Very high	34 Å²	34	68.7 Å²	68.7	35%	0.351	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	139.8	-144.4	177.5	0	0	0	0	0	113.9	T206	T206-G209 PolarHBondContact N-O 3.36Å; T206-G209 PolarHBondContact O-N 3.24Å; T206-G209 VanDerWaalsContact O-O 3.05Å; T206-G209 PolarHBondContact OG1-O 2.81Å
210	V	92.8	Very high	92.7	Very high	111 Å²	111	69.4 Å²	69.4	67%	0.673	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.1	113.1	175.8	179.7	0	0	0	0	108.8	V203	V203-V210 HydrophobicContact CG1-CG1 3.4Å
211	E	93.1	Very high	92.7	Very high	96 Å²	96	69.9 Å²	69.9	45%	0.449	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	144.9	-174.7	-165.8	174.9	166.8	0	0	111.7	V203 R204 T206 V213	V203-E211 WeakPolarHBondContact CA-O 3.28Å; R204-E211 PolarHBondContact N-O 2.8Å; R204-E211 PolarHBondContact O-N 2.84Å; T206-E211 HydrophobicContact CG2-CB 4.24Å; E211-V213 HydrophobicContact CB-CG1 4.45Å; E211-V213 HydrophobicContact CG-CG1 3.89Å
212	K	92.4	Very high	92.8	Very high	169 Å²	169	67.6 Å²	67.6	74%	0.735	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.8	100.3	173	-78.8	-178.2	178.3	-179.7	0	108.8	V201 V203	V201-K212 HydrophobicContact CG1-CB 3.57Å; V201-K212 HydrophobicContact CG1-CD 4.24Å; V201-K212 HydrophobicContact CG1-CG 3.81Å; V203-K212 HydrophobicContact CG2-CG 4.43Å
213	V	92.4	Very high	92.9	Very high	26 Å²	26	78 Å²	78	16%	0.158	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	152.6	179.8	-55.4	0	0	0	0	111.1	V201 S202 R204 E211	V201-V213 CarbonylContact C-O 3.48Å; V201-V213 WeakPolarHBondContact CA-O 3.48Å; S202-V213 PolarHBondContact N-O 2.99Å; S202-V213 PolarHBondContact O-N 3.07Å; R204-V213 HydrophobicContact CG-CG2 3.96Å; E211-V213 HydrophobicContact CB-CG1 4.45Å; E211-V213 HydrophobicContact CG-CG1 3.89Å
214	P	93.9	Very high	93	Very high	109 Å²	109	76.9 Å²	76.9	71%	0.708	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.5	142.2	166.6	-22.4	33.9	0	0	0	111.3
215	G	95.2	Very high	93.1	Very high	10 Å²	10	73.5 Å²	73.5	10%	0.103	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	152.6	175.4	0	0	0	0	0	111.8	D199 G200 F217	D199-G215 CarbonylContact C-O 3.49Å; G200-G215 PolarHBondContact N-O 3.35Å; G200-G215 PolarHBondContact O-N 3.4Å; G215-F217 VanDerWaalsContact O-CD2 3.25Å; G215-F217 WeakPolarHBondContact O-CD2 3.19Å; G215-F217 VanDerWaalsContact O-CE2 3.28Å; G215-F217 WeakPolarHBondContact O-CE2 3.27Å
216	V	97.9	Very high	93.4	Very high	7 Å²	7	68.9 Å²	68.9	4%	0.042	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	136.2	178.4	179.1	0	0	0	0	109.4	I197 R198 I239 L247 L252 V255	I197-V216 HydrophobicContact CB-CG1 3.81Å; I197-V216 HydrophobicContact CD1-CG1 4.06Å; I197-V216 HydrophobicContact CG1-CG1 4.43Å; I197-V216 HydrophobicContact CG2-CG1 4.16Å; R198-V216 WeakPolarHBondContact O-CA 3.19Å; V216-I239 HydrophobicContact CG1-CD1 4.37Å; V216-I239 PolarHBondContact O-N 2.99Å; V216-L247 HydrophobicContact CB-CD1 4.46Å; V216-L252 HydrophobicContact CG1-CD1 3.89Å; V216-L252 HydrophobicContact CG2-CD1 4.11Å; V216-V255 HydrophobicContact CG1-CG1 4.35Å; V216-V255 HydrophobicContact CG2-CG2 4.11Å
217	F	97.9	Very high	93.8	Very high	22 Å²	22	67.2 Å²	67.2	10%	0.096	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	148.2	-176.4	-63.1	-96.4	0	0	0	111.1	I197 R198 G215 S219 D237 E238	I197-F217 CarbonylContact C-O 3.57Å; I197-F217 VanDerWaalsContact CA-O 3.28Å; I197-F217 WeakPolarHBondContact CA-O 3.36Å; R198-F217 HydrophobicContact CG-CB 4.22Å; R198-F217 PolarHBondContact N-O 3.07Å; R198-F217 PolarHBondContact O-N 3.06Å; G215-F217 VanDerWaalsContact O-CD2 3.25Å; G215-F217 WeakPolarHBondContact O-CD2 3.19Å; G215-F217 VanDerWaalsContact O-CE2 3.28Å; G215-F217 WeakPolarHBondContact O-CE2 3.27Å; F217-S219 PolarHBondContact O-N 3.18Å; F217-D237 WeakPolarHBondContact CA-O 3.4Å; F217-E238 HydrophobicContact CD1-CB 3.91Å; F217-E238 HydrophobicContact CD1-CG 4.41Å; F217-E238 HydrophobicContact CE1-CB 3.64Å; F217-E238 HydrophobicContact CE1-CG 3.92Å; F217-E238 HydrophobicContact CZ-CB 4.34Å; F217-E238 HydrophobicContact CZ-CG 4.1Å
218	I	97.9	Very high	94.1	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	116.7	169.2	-61.1	-175.1	0	0	0	109	F195 Y196 L221 L233 A234 N236 D237 I239	F195-I218 HydrophobicContact CB-CG2 4.37Å; F195-I218 HydrophobicContact CD2-CD1 4.27Å; F195-I218 HydrophobicContact CD2-CG1 4.22Å; Y196-I218 CarbonylContact O-C 3.46Å; Y196-I218 WeakPolarHBondContact O-CA 3.44Å; I218-L221 HydrophobicContact CG2-CD2 4.01Å; I218-L233 HydrophobicContact CD1-CB 3.85Å; I218-L233 HydrophobicContact CD1-CD1 4.21Å; I218-L233 HydrophobicContact CD1-CD2 4.25Å; I218-L233 HydrophobicContact CD1-CG 4.33Å; I218-A234 WeakPolarHBondContact CB-O 3.3Å; I218-N236 PolarHBondContact O-N 2.83Å; I218-D237 HydrophobicContact CD1-CB 4.23Å; I218-D237 HydrophobicContact CG1-CB 4.44Å; I218-D237 PolarHBondContact N-O 2.78Å; I218-I239 HydrophobicContact CG1-CD1 3.9Å; I218-I239 HydrophobicContact CG1-CG1 4.18Å
219	S	97.4	Very high	94.4	Very high	30 Å²	30	60.5 Å²	60.5	21%	0.21	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	-33.4	179.8	52.5	0	0	0	0	113.4	Y196 I197 F217 V235	Y196-S219 VanDerWaalsContact C-OG 3.24Å; Y196-S219 WeakPolarHBondContact CB-OG 3.4Å; Y196-S219 PolarHBondContact O-N 2.8Å; Y196-S219 PolarHBondContact O-OG 2.52Å; I197-S219 PolarHBondContact O-OG 2.73Å; I197-S219 VanDerWaalsContact O-OG 3.07Å; F217-S219 PolarHBondContact O-N 3.18Å; S219-V235 WeakPolarHBondContact O-CG1 3.47Å
220	R	96.8	Very high	94.4	Very high	104 Å²	104	60.2 Å²	60.2	39%	0.392	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	150.3	-176.5	175.9	161.7	58.2	88.2	-6.3	111.5	F195 Y196	F195-R220 CarbonylContact C-O 3.58Å; F195-R220 WeakPolarHBondContact CA-O 3.48Å; Y196-R220 HydrophobicContact CD2-CB 4.12Å; Y196-R220 HydrophobicContact CD2-CG 4.27Å; Y196-R220 HydrophobicContact CG-CB 4.31Å; Y196-R220 VanDerWaalsContact CZ-CZ 3.46Å; Y196-R220 PolarHBondContact N-O 3.16Å; Y196-R220 PolarHBondContact OH-NH1 3.31Å; Y196-R220 PolarHBondContact OH-NH2 2.96Å
221	L	95.8	Very high	94.5	Very high	34 Å²	34	57 Å²	57	18%	0.178	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	151.7	165.6	-59.1	179.3	0	0	0	110.5	F195 I218 A227 E228 V235	F195-L221 HydrophobicContact CB-CD2 3.68Å; I218-L221 HydrophobicContact CG2-CD2 4.01Å; L221-A227 HydrophobicContact CD2-CB 4.12Å; L221-E228 HydrophobicContact CB-CB 4.24Å; L221-E228 HydrophobicContact CD1-CB 4.35Å; L221-E228 HydrophobicContact CD1-CG 4.42Å; L221-V235 HydrophobicContact CG-CG2 4.06Å
222	V	95.7	Very high	94.6	Very high	40 Å²	40	53.7 Å²	53.7	24%	0.242	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-88.6	129.8	171	175.6	0	0	0	0	109.1	G194 Y196 G224 G225 E228	G194-V222 PolarHBondContact O-N 2.89Å; Y196-V222 HydrophobicContact CD2-CG2 4.37Å; Y196-V222 HydrophobicContact CE2-CG2 3.63Å; V222-G224 PolarHBondContact O-N 2.69Å; V222-G225 WeakPolarHBondContact O-CA 3.47Å; V222-G225 PolarHBondContact O-N 2.82Å; V222-E228 WeakPolarHBondContact O-CB 3.09Å
223	R	93.2	Very high	94.8	Very high	222 Å²	222	45.9 Å²	45.9	84%	0.838	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	123.5	177	-58.3	-160.1	71.8	169	0.2	111.2	G225 E228	R223-G225 PolarHBondContact O-N 2.85Å; R223-E228 WeakPolarHBondContact CA-OE1 3.4Å; R223-E228 VanDerWaalsContact CA-OE2 3.3Å; R223-E228 WeakPolarHBondContact CA-OE2 3.42Å
224	G	90.7	Very high	95	Very high	59 Å²	59	45.7 Å²	45.7	61%	0.608	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.9	15.6	-169.6	0	0	0	0	0	114.3	V222 E228	V222-G224 PolarHBondContact O-N 2.69Å; G224-E228 PolarHBondContact N-OE2 3.26Å
225	G	92.5	Very high	95.1	Very high	10 Å²	10	43.4 Å²	43.4	10%	0.103	25%	0.25	C	C	.	.			trans	-76.1	165.3	171.9	0	0	0	0	0	112.1	V222 R223 S229	V222-G225 WeakPolarHBondContact O-CA 3.47Å; V222-G225 PolarHBondContact O-N 2.82Å; R223-G225 PolarHBondContact O-N 2.85Å; G225-S229 VanDerWaalsContact O-CB 3.28Å; G225-S229 WeakPolarHBondContact O-CB 3.48Å; G225-S229 PolarHBondContact O-N 2.75Å; G225-S229 PolarHBondContact O-OG 3.03Å
226	L	93.3	Very high	95.1	Very high	33 Å²	33	46.8 Å²	46.8	17%	0.173	27%	0.266	C	S	.	.	H	α-helix	trans	-59.9	-50.2	-178.8	167.8	63.2	0	0	0	111.4	I166 L184 K186 L193 S229 T230	I166-L226 HydrophobicContact CG2-CD1 3.34Å; L184-L226 HydrophobicContact CB-CD2 4.41Å; K186-L226 HydrophobicContact CB-CD2 4.21Å; L193-L226 HydrophobicContact CD2-CD2 4.09Å; L193-L226 WeakPolarHBondContact O-CB 3.47Å; L193-L226 PolarHBondContact O-N 3.3Å; L226-S229 PolarHBondContact O-N 3.32Å; L226-T230 HydrophobicContact CD1-CG2 4.26Å; L226-T230 WeakPolarHBondContact O-CG2 3.48Å; L226-T230 PolarHBondContact O-N 3.32Å
227	A	94.6	Very high	95.1	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-58.4	-51.6	178.9	0	0	0	0	0	113.1	L193 F195 L221 S229 T230 L233	L193-A227 PolarHBondContact O-N 2.99Å; F195-A227 HydrophobicContact CB-CB 3.98Å; F195-A227 HydrophobicContact CD1-CB 3.77Å; F195-A227 HydrophobicContact CG-CB 4.27Å; L221-A227 HydrophobicContact CD2-CB 4.12Å; A227-S229 VanDerWaalsContact C-N 3.34Å; A227-S229 PolarHBondContact O-N 3.01Å; A227-T230 PolarHBondContact O-N 2.81Å; A227-T230 VanDerWaalsContact O-N 3.16Å; A227-T230 PolarHBondContact O-OG1 3.12Å; A227-L233 HydrophobicContact CB-CD1 4.28Å
228	E	94.4	Very high	95.1	Very high	71 Å²	71	45.7 Å²	45.7	33%	0.332	26%	0.26	S	S	.	.	H	α-helix	trans	-57.3	-46	177.4	-167.4	-166	-113.9	0	0	111.6	L221 V222 R223 G224 T230 G231	L221-E228 HydrophobicContact CB-CB 4.24Å; L221-E228 HydrophobicContact CD1-CB 4.35Å; L221-E228 HydrophobicContact CD1-CG 4.42Å; V222-E228 WeakPolarHBondContact O-CB 3.09Å; R223-E228 WeakPolarHBondContact CA-OE1 3.4Å; R223-E228 VanDerWaalsContact CA-OE2 3.3Å; R223-E228 WeakPolarHBondContact CA-OE2 3.42Å; G224-E228 PolarHBondContact N-OE2 3.26Å; E228-T230 PolarHBondContact O-N 2.83Å; E228-G231 PolarHBondContact O-N 2.94Å; E228-G231 VanDerWaalsContact O-N 3.07Å
229	S	92.8	Very high	95.1	Very high	84 Å²	84	45.9 Å²	45.9	59%	0.587	26%	0.261	S	S	*	.	H	α-helix	trans	-63.2	-15.9	-178.3	-56	0	0	0	0	114	G225 L226 A227	G225-S229 VanDerWaalsContact O-CB 3.28Å; G225-S229 WeakPolarHBondContact O-CB 3.48Å; G225-S229 PolarHBondContact O-N 2.75Å; G225-S229 PolarHBondContact O-OG 3.03Å; L226-S229 PolarHBondContact O-N 3.32Å; A227-S229 VanDerWaalsContact C-N 3.34Å; A227-S229 PolarHBondContact O-N 3.01Å
230	T	92.9	Very high	95	Very high	27 Å²	27	45.2 Å²	45.2	17%	0.166	26%	0.255	C	S	.	.	H	α-helix	trans	-88.6	-25.4	176.9	71.1	0	0	0	0	113.1	I166 L184 L226 A227 E228 L232	I166-T230 HydrophobicContact CG2-CG2 4.35Å; L184-T230 HydrophobicContact CD2-CG2 3.83Å; L226-T230 HydrophobicContact CD1-CG2 4.26Å; L226-T230 WeakPolarHBondContact O-CG2 3.48Å; L226-T230 PolarHBondContact O-N 3.32Å; A227-T230 PolarHBondContact O-N 2.81Å; A227-T230 VanDerWaalsContact O-N 3.16Å; A227-T230 PolarHBondContact O-OG1 3.12Å; E228-T230 PolarHBondContact O-N 2.83Å; T230-L232 PolarHBondContact O-N 2.92Å; T230-L232 VanDerWaalsContact O-N 3.1Å; T230-L232 PolarHBondContact OG1-N 3.47Å
231	G	94.3	Very high	95.1	Very high	45 Å²	45	42.7 Å²	42.7	46%	0.464	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	7	-169.2	0	0	0	0	0	115.1	E228	E228-G231 PolarHBondContact O-N 2.94Å; E228-G231 VanDerWaalsContact O-N 3.07Å
232	L	95.7	Very high	95.2	Very high	26 Å²	26	41 Å²	41	14%	0.136	24%	0.239	C	C	.	.	S	Bend	trans	-86.7	-18	-175.2	-63	-174.6	0	0	0	113.6	I169 R180 V182 T230	I169-L232 HydrophobicContact CD1-CD2 3.9Å; I169-L232 HydrophobicContact CG1-CD1 4.1Å; I169-L232 HydrophobicContact CG1-CD2 3.77Å; R180-L232 WeakPolarHBondContact CD-O 3.5Å; R180-L232 PolarHBondContact NH1-O 3.18Å; V182-L232 HydrophobicContact CG1-CB 3.77Å; V182-L232 HydrophobicContact CG1-CD1 3.81Å; V182-L232 HydrophobicContact CG1-CG 4.46Å; V182-L232 HydrophobicContact CG2-CB 3.94Å; T230-L232 PolarHBondContact O-N 2.92Å; T230-L232 VanDerWaalsContact O-N 3.1Å; T230-L232 PolarHBondContact OG1-N 3.47Å
233	L	96.3	Very high	95.2	Very high	5 Å²	5	41.7 Å²	41.7	3%	0.026	24%	0.241	C	C	.	.			trans	-124.9	143.6	179	-61.7	177.3	0	0	0	110.1	V182 L184 F195 I218 A227 V270	V182-L233 HydrophobicContact CB-CD2 4.24Å; V182-L233 HydrophobicContact CG2-CD2 3.9Å; L184-L233 HydrophobicContact CD1-CD1 4.05Å; F195-L233 HydrophobicContact CE1-CD1 4.47Å; I218-L233 HydrophobicContact CD1-CB 3.85Å; I218-L233 HydrophobicContact CD1-CD1 4.21Å; I218-L233 HydrophobicContact CD1-CD2 4.25Å; I218-L233 HydrophobicContact CD1-CG 4.33Å; A227-L233 HydrophobicContact CB-CD1 4.28Å; L233-V270 HydrophobicContact CD2-CG1 3.88Å; L233-V270 HydrophobicContact CD2-CG2 4.01Å
234	A	95.6	Very high	95.3	Very high	21 Å²	21	34 Å²	34	17%	0.174	23%	0.23	C	C	.	.			trans	-131.2	164.2	179.1	0	0	0	0	0	112.6	I218 D237	I218-A234 WeakPolarHBondContact CB-O 3.3Å; A234-D237 PolarHBondContact N-OD2 2.86Å; A234-D237 WeakPolarHBondContact O-CB 3.38Å; A234-D237 VanDerWaalsContact O-CG 3.27Å; A234-D237 PolarHBondContact O-N 2.95Å
235	V	96.4	Very high	95.6	Very high	61 Å²	61	35 Å²	35	37%	0.37	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	138.8	174.7	-179	0	0	0	0	110	S219 L221 D237	S219-V235 WeakPolarHBondContact O-CG1 3.47Å; L221-V235 HydrophobicContact CG-CG2 4.06Å; V235-D237 VanDerWaalsContact C-N 3.32Å
236	N	96.3	Very high	95.8	Very high	82 Å²	82	38.8 Å²	38.8	44%	0.439	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.6	6.8	-170.7	-52.9	-61.6	0	0	0	116.3	R198 I218 E238 A273	R198-N236 PolarHBondContact NH2-OD1 2.94Å; I218-N236 PolarHBondContact O-N 2.83Å; N236-E238 PolarHBondContact O-N 3.34Å; N236-A273 HydrophobicContact CB-CB 3.88Å; N236-A273 WeakPolarHBondContact O-CB 3.33Å
237	D	97.2	Very high	95.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-60.8	129.7	167.9	-71.1	-5.7	0	0	0	109.3	F217 I218 A234 V235 V270 P272 A273	F217-D237 WeakPolarHBondContact CA-O 3.4Å; I218-D237 HydrophobicContact CD1-CB 4.23Å; I218-D237 HydrophobicContact CG1-CB 4.44Å; I218-D237 PolarHBondContact N-O 2.78Å; A234-D237 PolarHBondContact N-OD2 2.86Å; A234-D237 WeakPolarHBondContact O-CB 3.38Å; A234-D237 VanDerWaalsContact O-CG 3.27Å; A234-D237 PolarHBondContact O-N 2.95Å; V235-D237 VanDerWaalsContact C-N 3.32Å; D237-V270 HydrophobicContact CB-CB 4.33Å; D237-P272 VanDerWaalsContact OD1-CA 3.26Å; D237-P272 WeakPolarHBondContact OD1-CA 3.37Å; D237-A273 PolarHBondContact OD1-N 3.39Å
238	E	97.3	Very high	95.8	Very high	6 Å²	6	40.5 Å²	40.5	3%	0.028	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	125.3	176.2	-178.2	-175.7	168.9	0	0	108.8	S202 R204 F217 N236 L240 V270 K271	S202-E238 WeakPolarHBondContact CB-OE1 3.47Å; S202-E238 PolarHBondContact OG-OE1 3.37Å; S202-E238 PolarHBondContact OG-OE2 3.36Å; R204-E238 IonicContact CZ-OE1 3.56Å; R204-E238 IonicContact NE-OE1 3.38Å; R204-E238 IonicContact NH2-OE1 2.76Å; R204-E238 PolarHBondContact NH2-OE1 2.74Å; F217-E238 HydrophobicContact CD1-CB 3.91Å; F217-E238 HydrophobicContact CD1-CG 4.41Å; F217-E238 HydrophobicContact CE1-CB 3.64Å; F217-E238 HydrophobicContact CE1-CG 3.92Å; F217-E238 HydrophobicContact CZ-CB 4.34Å; F217-E238 HydrophobicContact CZ-CG 4.1Å; N236-E238 PolarHBondContact O-N 3.34Å; E238-L240 HydrophobicContact CG-CD2 3.94Å; E238-V270 CarbonylContact O-C 3.52Å; E238-V270 WeakPolarHBondContact O-CA 3.49Å; E238-V270 WeakPolarHBondContact O-CB 3.45Å; E238-K271 HydrophobicContact CB-CB 4.25Å; E238-K271 PolarHBondContact N-O 3.23Å; E238-K271 PolarHBondContact O-N 3.06Å; E238-K271 WeakPolarHBondContact OE2-CD 3.46Å; E238-K271 WeakPolarHBondContact OE2-CE 3.28Å; E238-K271 IonicContact OE2-NZ 3.83Å; E238-K271 PolarHBondContact OE2-NZ 3.37Å
239	I	97.7	Very high	95.6	Very high	3 Å²	3	41.2 Å²	41.2	2%	0.015	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	124.6	178.7	-49.6	-175.4	0	0	0	109	F195 I197 V216 I218 L247 M259 V268 V270	F195-I239 HydrophobicContact CE2-CD1 4.29Å; I197-I239 HydrophobicContact CG2-CD1 3.59Å; V216-I239 HydrophobicContact CG1-CD1 4.37Å; V216-I239 PolarHBondContact O-N 2.99Å; I218-I239 HydrophobicContact CG1-CD1 3.9Å; I218-I239 HydrophobicContact CG1-CG1 4.18Å; I239-L247 HydrophobicContact CB-CD1 4.04Å; I239-L247 HydrophobicContact CG2-CD1 3.52Å; I239-M259 HydrophobicContact CD1-CE 3.59Å; I239-M259 HydrophobicContact CG2-CE 4.05Å; I239-V268 HydrophobicContact CG2-CG1 3.48Å; I239-V268 VanDerWaalsContact CG2-CG1 3.48Å; I239-V270 HydrophobicContact CG1-CG1 4.16Å
240	L	96.9	Very high	95.8	Very high	16 Å²	16	40.5 Å²	40.5	8%	0.084	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	-40.9	-175.3	-56	179.3	0	0	0	112.2	Y179 E238 L247 T269 K271	Y179-L240 HydrophobicContact CD1-CD1 3.75Å; Y179-L240 HydrophobicContact CD2-CD1 3.85Å; Y179-L240 HydrophobicContact CE1-CD1 3.55Å; Y179-L240 HydrophobicContact CE2-CD1 3.63Å; Y179-L240 HydrophobicContact CG-CD1 3.93Å; Y179-L240 VanDerWaalsContact CZ-CD1 3.48Å; E238-L240 HydrophobicContact CG-CD2 3.94Å; L240-L247 PolarHBondContact O-N 3.34Å; L240-T269 PolarHBondContact N-O 2.88Å; L240-K271 HydrophobicContact CD1-CB 4.14Å
241	E	97.8	Very high	95.9	Very high	51 Å²	51	41.7 Å²	41.7	24%	0.238	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	149.3	-176.1	-50.8	170.6	148.1	0	0	111.7	R181 I245 V268 T269	R181-E241 IonicContact CZ-OE2 2.73Å; R181-E241 IonicContact NE-OE2 2.71Å; R181-E241 IonicContact NH2-OE1 3.66Å; R181-E241 IonicContact NH2-OE2 2.64Å; R181-E241 PolarHBondContact NH2-OE2 3.04Å; E241-I245 CarbonylContact C-O 3.58Å; E241-I245 VanDerWaalsContact CA-O 3.27Å; E241-I245 WeakPolarHBondContact CA-O 3.34Å; E241-V268 WeakPolarHBondContact O-CA 3.08Å; E241-T269 PolarHBondContact N-O 2.85Å; E241-T269 PolarHBondContact O-N 2.92Å; E241-T269 WeakPolarHBondContact OE2-CB 3.15Å; E241-T269 PolarHBondContact OE2-OG1 3.39Å
242	V	98	Very high	96	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	123.1	166.9	170.3	0	0	0	0	109.4	G244 I245 L247 M258 M259 L266 I267	V242-G244 PolarHBondContact O-N 2.81Å; V242-G244 VanDerWaalsContact O-N 3.12Å; V242-I245 PolarHBondContact N-O 3.46Å; V242-I245 WeakPolarHBondContact O-CB 3.42Å; V242-I245 PolarHBondContact O-N 3.49Å; V242-L247 HydrophobicContact CB-CD2 4.21Å; V242-L247 HydrophobicContact CG2-CD1 4.29Å; V242-L247 HydrophobicContact CG2-CD2 4.07Å; V242-M258 HydrophobicContact CB-CE 3.99Å; V242-M258 HydrophobicContact CG1-CB 4.31Å; V242-M258 HydrophobicContact CG1-CE 4.44Å; V242-M259 HydrophobicContact CG1-CG 4.35Å; V242-M259 HydrophobicContact CG2-CE 3.58Å; V242-M259 HydrophobicContact CG2-CG 3.9Å; V242-L266 HydrophobicContact CG1-CD1 3.7Å; V242-I267 WeakPolarHBondContact CA-O 3.2Å
243	N	96.7	Very high	96.1	Very high	54 Å²	54	43.7 Å²	43.7	29%	0.289	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.3	36.8	-177.3	-76.3	19.2	0	0	0	114.4	N262 N265 I267	N243-N262 WeakPolarHBondContact ND2-CB 3.43Å; N243-N262 PolarHBondContact ND2-OD1 3.05Å; N243-N265 PolarHBondContact ND2-O 2.81Å; N243-I267 PolarHBondContact N-O 2.97Å; N243-I267 WeakPolarHBondContact OD1-CA 3.45Å; N243-I267 WeakPolarHBondContact OD1-CB 3.28Å; N243-I267 PolarHBondContact OD1-N 2.93Å; N243-I267 PolarHBondContact OD1-O 2.88Å
244	G	94.9	Very high	96.1	Very high	59 Å²	59	48.2 Å²	48.2	61%	0.608	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.1	8.9	-179.6	0	0	0	0	0	115	V242	V242-G244 PolarHBondContact O-N 2.81Å; V242-G244 VanDerWaalsContact O-N 3.12Å
245	I	96.7	Very high	96.2	Very high	82 Å²	82	47.2 Å²	47.2	42%	0.421	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	116.5	174.4	-52	175.2	0	0	0	108.3	E241 V242 M258	E241-I245 CarbonylContact C-O 3.58Å; E241-I245 VanDerWaalsContact CA-O 3.27Å; E241-I245 WeakPolarHBondContact CA-O 3.34Å; V242-I245 PolarHBondContact N-O 3.46Å; V242-I245 WeakPolarHBondContact O-CB 3.42Å; V242-I245 PolarHBondContact O-N 3.49Å; I245-M258 HydrophobicContact CB-CE 3.74Å; I245-M258 HydrophobicContact CD1-CE 4.19Å; I245-M258 HydrophobicContact CG2-CE 3.73Å; I245-M258 HydrophobicContact CG2-SD 4.44Å
246	D	96.4	Very high	96.2	Very high	88 Å²	88	45 Å²	45	47%	0.471	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	140.7	171.2	-179.5	8.5	0	0	0	110.8	A248 K250	D246-A248 WeakPolarHBondContact OD1-CB 3.38Å; D246-A248 PolarHBondContact OD1-N 2.86Å; D246-A248 WeakPolarHBondContact OD2-CB 3.13Å; D246-K250 WeakPolarHBondContact O-CE 3.38Å
247	L	95.8	Very high	96.3	Very high	12 Å²	12	46.4 Å²	46.4	6%	0.063	29%	0.286	C	S	.	.			trans	-92	-6.5	179.9	-53.6	-171.4	0	0	0	113.7	V216 I239 L240 V242 G249 K250 V255 M258	V216-L247 HydrophobicContact CB-CD1 4.46Å; I239-L247 HydrophobicContact CB-CD1 4.04Å; I239-L247 HydrophobicContact CG2-CD1 3.52Å; L240-L247 PolarHBondContact O-N 3.34Å; V242-L247 HydrophobicContact CB-CD2 4.21Å; V242-L247 HydrophobicContact CG2-CD1 4.29Å; V242-L247 HydrophobicContact CG2-CD2 4.07Å; L247-G249 PolarHBondContact O-N 2.98Å; L247-K250 HydrophobicContact CD2-CD 4.28Å; L247-K250 WeakPolarHBondContact O-CB 3.49Å; L247-K250 PolarHBondContact O-N 3.01Å; L247-V255 HydrophobicContact CB-CG2 4.3Å; L247-V255 HydrophobicContact CD1-CG1 3.61Å; L247-V255 HydrophobicContact CD1-CG2 4.12Å; L247-V255 HydrophobicContact CD2-CG1 4.16Å; L247-V255 HydrophobicContact CD2-CG2 3.96Å; L247-V255 HydrophobicContact CG-CG1 4.49Å; L247-V255 HydrophobicContact CG-CG2 4.35Å; L247-M258 HydrophobicContact CD2-CE 3.64Å
248	A	92.1	Very high	96.2	Very high	58 Å²	58	48 Å²	48	48%	0.479	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	124.1	177.7	0	0	0	0	0	112	D246 K250	D246-A248 WeakPolarHBondContact OD1-CB 3.38Å; D246-A248 PolarHBondContact OD1-N 2.86Å; D246-A248 WeakPolarHBondContact OD2-CB 3.13Å; A248-K250 VanDerWaalsContact C-N 3.3Å; A248-K250 PolarHBondContact O-N 2.86Å
249	G	91	Very high	96.2	Very high	86 Å²	86	47.7 Å²	47.7	89%	0.887	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.2	6.6	179.4	0	0	0	0	0	116.1	L247	L247-G249 PolarHBondContact O-N 2.98Å
250	K	95.4	Very high	96	Very high	69 Å²	69	51.2 Å²	51.2	30%	0.3	31%	0.313	S	S	.	.			trans	-85.7	152.5	171.3	-60.9	-169.6	-174.8	-64.2	0	111.4	D246 L247 A248 Q254 V255 M258	D246-K250 WeakPolarHBondContact O-CE 3.38Å; L247-K250 HydrophobicContact CD2-CD 4.28Å; L247-K250 WeakPolarHBondContact O-CB 3.49Å; L247-K250 PolarHBondContact O-N 3.01Å; A248-K250 VanDerWaalsContact C-N 3.3Å; A248-K250 PolarHBondContact O-N 2.86Å; K250-Q254 HydrophobicContact CB-CB 4.38Å; K250-V255 HydrophobicContact CB-CG2 3.93Å; K250-V255 HydrophobicContact CD-CG2 4.49Å; K250-M258 HydrophobicContact CD-CE 4.18Å; K250-M258 HydrophobicContact CD-SD 3.65Å
251	S	96.3	Very high	95.9	Very high	51 Å²	51	54.5 Å²	54.5	36%	0.357	34%	0.343	S	S	.	.			trans	-79.4	155.2	168.1	68.7	0	0	0	0	111.4	D253 Q254 V255	S251-D253 PolarHBondContact O-N 3.37Å; S251-Q254 WeakPolarHBondContact O-CB 3.31Å; S251-Q254 PolarHBondContact O-N 2.94Å; S251-Q254 WeakPolarHBondContact OG-CG 3.25Å; S251-Q254 PolarHBondContact OG-N 2.88Å; S251-V255 WeakPolarHBondContact O-CG2 3Å; S251-V255 PolarHBondContact O-N 2.84Å; S251-V255 VanDerWaalsContact O-N 3.1Å
252	L	96.8	Very high	95.7	Very high	19 Å²	19	54.8 Å²	54.8	10%	0.099	35%	0.346	C	S	.	.	H	α-helix	trans	-53.8	-37.5	177.4	-165.8	66.1	0	0	0	112.6	I197 V216 V255 T256	I197-L252 HydrophobicContact CB-CD1 4.29Å; I197-L252 HydrophobicContact CD1-CD1 3.77Å; I197-L252 HydrophobicContact CD1-CG 4.41Å; I197-L252 HydrophobicContact CG1-CD1 3.84Å; I197-L252 HydrophobicContact CG1-CG 4.46Å; V216-L252 HydrophobicContact CG1-CD1 3.89Å; V216-L252 HydrophobicContact CG2-CD1 4.11Å; L252-V255 PolarHBondContact O-N 2.67Å; L252-T256 WeakPolarHBondContact O-CB 3.35Å; L252-T256 PolarHBondContact O-N 3.13Å; L252-T256 PolarHBondContact O-OG1 2.76Å
253	D	96.9	Very high	95.5	Very high	95 Å²	95	55.4 Å²	55.4	51%	0.508	35%	0.35	S	S	.	.	H	α-helix	trans	-64.8	-43	177	-53	-45	0	0	0	111.9	S251 V255 T256 D257	S251-D253 PolarHBondContact O-N 3.37Å; D253-V255 VanDerWaalsContact C-N 3.3Å; D253-V255 PolarHBondContact O-N 3.3Å; D253-T256 VanDerWaalsContact O-CB 3.3Å; D253-T256 WeakPolarHBondContact O-CB 3.43Å; D253-T256 PolarHBondContact O-N 2.86Å; D253-T256 VanDerWaalsContact O-N 3.17Å; D253-D257 PolarHBondContact O-N 2.95Å
254	Q	97.1	Very high	95.3	Very high	99 Å²	99	59.1 Å²	59.1	46%	0.463	37%	0.366	S	S	.	.	H	α-helix	trans	-63.2	-37.7	175.7	-70.1	170.6	-2	0	0	111.8	K250 S251 M258	K250-Q254 HydrophobicContact CB-CB 4.38Å; S251-Q254 WeakPolarHBondContact O-CB 3.31Å; S251-Q254 PolarHBondContact O-N 2.94Å; S251-Q254 WeakPolarHBondContact OG-CG 3.25Å; S251-Q254 PolarHBondContact OG-N 2.88Å; Q254-M258 WeakPolarHBondContact O-CB 3.23Å; Q254-M258 VanDerWaalsContact O-CG 3.23Å; Q254-M258 WeakPolarHBondContact O-CG 3.36Å; Q254-M258 PolarHBondContact O-N 2.8Å
255	V	97.6	Very high	95.2	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-68.2	-40	174.8	-179.5	0	0	0	0	111	I197 V216 L247 K250 S251 L252 D253 M258 M259	I197-V255 HydrophobicContact CD1-CB 4.31Å; I197-V255 HydrophobicContact CD1-CG1 3.91Å; V216-V255 HydrophobicContact CG1-CG1 4.35Å; V216-V255 HydrophobicContact CG2-CG2 4.11Å; L247-V255 HydrophobicContact CB-CG2 4.3Å; L247-V255 HydrophobicContact CD1-CG1 3.61Å; L247-V255 HydrophobicContact CD1-CG2 4.12Å; L247-V255 HydrophobicContact CD2-CG1 4.16Å; L247-V255 HydrophobicContact CD2-CG2 3.96Å; L247-V255 HydrophobicContact CG-CG1 4.49Å; L247-V255 HydrophobicContact CG-CG2 4.35Å; K250-V255 HydrophobicContact CB-CG2 3.93Å; K250-V255 HydrophobicContact CD-CG2 4.49Å; S251-V255 WeakPolarHBondContact O-CG2 3Å; S251-V255 PolarHBondContact O-N 2.84Å; S251-V255 VanDerWaalsContact O-N 3.1Å; L252-V255 PolarHBondContact O-N 2.67Å; D253-V255 VanDerWaalsContact C-N 3.3Å; D253-V255 PolarHBondContact O-N 3.3Å; V255-M258 PolarHBondContact O-N 2.76Å; V255-M259 HydrophobicContact CG1-CE 3.6Å; V255-M259 HydrophobicContact CG1-SD 4.41Å; V255-M259 WeakPolarHBondContact O-CG 3.38Å; V255-M259 PolarHBondContact O-N 3.09Å
256	T	96.6	Very high	95.2	Very high	15 Å²	15	55.2 Å²	55.2	9%	0.092	33%	0.332	C	S	.	.	H	α-helix	trans	-58.2	-52.8	174.4	-59.3	0	0	0	0	110.4	L252 D253 M258 M259 V260 I418 L420	L252-T256 WeakPolarHBondContact O-CB 3.35Å; L252-T256 PolarHBondContact O-N 3.13Å; L252-T256 PolarHBondContact O-OG1 2.76Å; D253-T256 VanDerWaalsContact O-CB 3.3Å; D253-T256 WeakPolarHBondContact O-CB 3.43Å; D253-T256 PolarHBondContact O-N 2.86Å; D253-T256 VanDerWaalsContact O-N 3.17Å; T256-M258 PolarHBondContact O-N 2.99Å; T256-M259 PolarHBondContact O-N 2.91Å; T256-M259 VanDerWaalsContact O-N 3.15Å; T256-V260 WeakPolarHBondContact O-CG2 3.43Å; T256-V260 PolarHBondContact O-N 3.39Å; T256-I418 HydrophobicContact CG2-CG2 4.45Å; T256-L420 HydrophobicContact CG2-CD1 4.22Å; T256-L420 HydrophobicContact CG2-CD2 3.48Å; T256-L420 VanDerWaalsContact CG2-CD2 3.48Å; T256-L420 HydrophobicContact CG2-CG 4.28Å
257	D	96.6	Very high	95.3	Very high	112 Å²	112	52.9 Å²	52.9	60%	0.599	32%	0.319	S	S	*	.	H	α-helix	trans	-59	-44.4	176.9	-76.9	-22.1	0	0	0	112.1	D253 M259 V260 A261	D253-D257 PolarHBondContact O-N 2.95Å; D257-M259 VanDerWaalsContact C-N 3.32Å; D257-M259 PolarHBondContact O-N 2.82Å; D257-V260 PolarHBondContact O-N 3.24Å; D257-A261 VanDerWaalsContact O-CB 3.28Å; D257-A261 WeakPolarHBondContact O-CB 3.03Å; D257-A261 PolarHBondContact O-N 2.98Å
258	M	96.8	Very high	95.4	Very high	32 Å²	32	52.4 Å²	52.4	16%	0.158	32%	0.316	C	S	.	.	H	α-helix	trans	-59.7	-39.8	175.9	-78.9	171.2	44.5	0	0	112.2	V242 I245 L247 K250 Q254 V255 T256 N262	V242-M258 HydrophobicContact CB-CE 3.99Å; V242-M258 HydrophobicContact CG1-CB 4.31Å; V242-M258 HydrophobicContact CG1-CE 4.44Å; I245-M258 HydrophobicContact CB-CE 3.74Å; I245-M258 HydrophobicContact CD1-CE 4.19Å; I245-M258 HydrophobicContact CG2-CE 3.73Å; I245-M258 HydrophobicContact CG2-SD 4.44Å; L247-M258 HydrophobicContact CD2-CE 3.64Å; K250-M258 HydrophobicContact CD-CE 4.18Å; K250-M258 HydrophobicContact CD-SD 3.65Å; Q254-M258 WeakPolarHBondContact O-CB 3.23Å; Q254-M258 VanDerWaalsContact O-CG 3.23Å; Q254-M258 WeakPolarHBondContact O-CG 3.36Å; Q254-M258 PolarHBondContact O-N 2.8Å; V255-M258 PolarHBondContact O-N 2.76Å; T256-M258 PolarHBondContact O-N 2.99Å; M258-N262 WeakPolarHBondContact O-CB 3.34Å; M258-N262 PolarHBondContact O-N 3.4Å; M258-N262 PolarHBondContact O-ND2 2.81Å
259	M	96.6	Very high	95.7	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-71.4	-41.2	175.7	-71	-179.9	-173.1	0	0	112.5	F195 I197 I239 V242 V255 T256 D257 N262 S263 L266 L420	F195-M259 HydrophobicContact CE2-CE 4.44Å; F195-M259 HydrophobicContact CE2-SD 3.88Å; F195-M259 HydrophobicContact CZ-SD 3.89Å; I197-M259 HydrophobicContact CD1-CE 4.44Å; I197-M259 HydrophobicContact CD1-SD 4.18Å; I197-M259 HydrophobicContact CG2-CE 4.23Å; I197-M259 HydrophobicContact CG2-SD 4.2Å; I239-M259 HydrophobicContact CD1-CE 3.59Å; I239-M259 HydrophobicContact CG2-CE 4.05Å; V242-M259 HydrophobicContact CG1-CG 4.35Å; V242-M259 HydrophobicContact CG2-CE 3.58Å; V242-M259 HydrophobicContact CG2-CG 3.9Å; V255-M259 HydrophobicContact CG1-CE 3.6Å; V255-M259 HydrophobicContact CG1-SD 4.41Å; V255-M259 WeakPolarHBondContact O-CG 3.38Å; V255-M259 PolarHBondContact O-N 3.09Å; T256-M259 PolarHBondContact O-N 2.91Å; T256-M259 VanDerWaalsContact O-N 3.15Å; D257-M259 VanDerWaalsContact C-N 3.32Å; D257-M259 PolarHBondContact O-N 2.82Å; M259-N262 CarbonylContact O-C 3.5Å; M259-N262 PolarHBondContact O-N 3.15Å; M259-S263 VanDerWaalsContact O-CA 3.31Å; M259-S263 WeakPolarHBondContact O-CA 3.32Å; M259-S263 WeakPolarHBondContact O-CB 3.12Å; M259-S263 PolarHBondContact O-N 3.44Å; M259-L266 HydrophobicContact CB-CD1 4.45Å; M259-L266 HydrophobicContact CB-CD2 4.46Å; M259-L266 HydrophobicContact CG-CD1 4.37Å; M259-L266 HydrophobicContact CG-CD2 4.32Å; M259-L420 HydrophobicContact SD-CD1 4.12Å
260	V	93.8	Very high	96	Very high	77 Å²	77	45.6 Å²	45.6	47%	0.467	25%	0.252	S	S	.	.	H	α-helix	trans	-64.2	-49.4	178.8	172.2	0	0	0	0	111	T256 D257 N262 S263 L420	T256-V260 WeakPolarHBondContact O-CG2 3.43Å; T256-V260 PolarHBondContact O-N 3.39Å; D257-V260 PolarHBondContact O-N 3.24Å; V260-N262 PolarHBondContact O-N 2.95Å; V260-S263 VanDerWaalsContact O-CB 3.25Å; V260-S263 WeakPolarHBondContact O-CB 3.43Å; V260-S263 PolarHBondContact O-N 2.89Å; V260-S263 PolarHBondContact O-OG 2.87Å; V260-L420 HydrophobicContact CG2-CD2 3.45Å; V260-L420 VanDerWaalsContact CG2-CD2 3.45Å
261	A	94.1	Very high	96	Very high	85 Å²	85	45.8 Å²	45.8	70%	0.702	25%	0.252	S	S	*	.	H	α-helix	trans	-59	-33.1	-180	0	0	0	0	0	112.7	D257	D257-A261 VanDerWaalsContact O-CB 3.28Å; D257-A261 WeakPolarHBondContact O-CB 3.03Å; D257-A261 PolarHBondContact O-N 2.98Å
262	N	94.6	Very high	95.9	Very high	58 Å²	58	44.2 Å²	44.2	31%	0.31	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	5.1	178.9	-68.1	-80.4	0	0	0	113.6	N243 M258 M259 V260 H264 N265 L266	N243-N262 WeakPolarHBondContact ND2-CB 3.43Å; N243-N262 PolarHBondContact ND2-OD1 3.05Å; M258-N262 WeakPolarHBondContact O-CB 3.34Å; M258-N262 PolarHBondContact O-N 3.4Å; M258-N262 PolarHBondContact O-ND2 2.81Å; M259-N262 CarbonylContact O-C 3.5Å; M259-N262 PolarHBondContact O-N 3.15Å; V260-N262 PolarHBondContact O-N 2.95Å; N262-H264 PolarHBondContact O-N 2.8Å; N262-N265 CarbonylContact O-C 3.57Å; N262-N265 PolarHBondContact O-N 2.82Å; N262-L266 HydrophobicContact CB-CD1 3.82Å; N262-L266 PolarHBondContact O-N 2.83Å
263	S	92.9	Very high	95.4	Very high	12 Å²	12	45.3 Å²	45.3	8%	0.084	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-17.2	-164.8	62.5	0	0	0	0	115.7	K186 L193 M259 V260	K186-S263 WeakPolarHBondContact CB-O 3.28Å; L193-S263 WeakPolarHBondContact CD2-O 3.25Å; M259-S263 VanDerWaalsContact O-CA 3.31Å; M259-S263 WeakPolarHBondContact O-CA 3.32Å; M259-S263 WeakPolarHBondContact O-CB 3.12Å; M259-S263 PolarHBondContact O-N 3.44Å; V260-S263 VanDerWaalsContact O-CB 3.25Å; V260-S263 WeakPolarHBondContact O-CB 3.43Å; V260-S263 PolarHBondContact O-N 2.89Å; V260-S263 PolarHBondContact O-OG 2.87Å
264	H	91.5	Very high	93.9	Very high	133 Å²	133	46.4 Å²	46.4	62%	0.616	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-32.5	172.4	-78.5	-68.9	0	0	0	114.1	H185 K186 N262	H185-H264 WeakPolarHBondContact CA-O 3.37Å; K186-H264 PolarHBondContact N-O 3.23Å; K186-H264 PolarHBondContact O-ND1 2.82Å; N262-H264 PolarHBondContact O-N 2.8Å
265	N	94.3	Very high	91.9	Very high	59 Å²	59	46.6 Å²	46.6	32%	0.316	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	74.5	-176.2	175	58.9	0	0	0	108.3	R183 H185 N243 N262	R183-N265 VanDerWaalsContact CZ-OD1 3.23Å; R183-N265 PolarHBondContact NE-OD1 2.83Å; R183-N265 PolarHBondContact NH2-OD1 3.1Å; H185-N265 PolarHBondContact CD2-OD1 2.79Å; N243-N265 PolarHBondContact ND2-O 2.81Å; N262-N265 CarbonylContact O-C 3.57Å; N262-N265 PolarHBondContact O-N 2.82Å
266	L	96.9	Very high	89.8	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	129	-173.8	-170.9	70.6	0	0	0	110	R183 L184 L193 F195 V242 M259 N262 V268	R183-L266 CarbonylContact C-O 3.5Å; R183-L266 WeakPolarHBondContact CA-O 3.21Å; L184-L266 PolarHBondContact N-O 2.89Å; L184-L266 PolarHBondContact O-N 3.21Å; L193-L266 HydrophobicContact CD1-CD2 3.67Å; F195-L266 HydrophobicContact CE1-CD2 4.41Å; F195-L266 HydrophobicContact CZ-CD2 4.2Å; V242-L266 HydrophobicContact CG1-CD1 3.7Å; M259-L266 HydrophobicContact CB-CD1 4.45Å; M259-L266 HydrophobicContact CB-CD2 4.46Å; M259-L266 HydrophobicContact CG-CD1 4.37Å; M259-L266 HydrophobicContact CG-CD2 4.32Å; N262-L266 HydrophobicContact CB-CD1 3.82Å; N262-L266 PolarHBondContact O-N 2.83Å; L266-V268 HydrophobicContact CD1-CG2 4.48Å; L266-V268 HydrophobicContact CD2-CG2 3.53Å; L266-V268 HydrophobicContact CG-CG2 3.62Å
267	I	97.8	Very high	87.6	Confident	38 Å²	38	64.2 Å²	64.2	20%	0.195	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	121.2	170.7	-61.2	172.7	0	0	0	106.9	I170 R181 V182 R183 V242 N243	I170-I267 HydrophobicContact CD1-CD1 4.25Å; I170-I267 HydrophobicContact CD1-CG2 3.91Å; R181-I267 HydrophobicContact CG-CG2 3.6Å; V182-I267 CarbonylContact O-C 3.53Å; V182-I267 WeakPolarHBondContact O-CA 3.38Å; R183-I267 HydrophobicContact CB-CG1 4.14Å; R183-I267 HydrophobicContact CG-CG1 3.87Å; V242-I267 WeakPolarHBondContact CA-O 3.2Å; N243-I267 PolarHBondContact N-O 2.97Å; N243-I267 WeakPolarHBondContact OD1-CA 3.45Å; N243-I267 WeakPolarHBondContact OD1-CB 3.28Å; N243-I267 PolarHBondContact OD1-N 2.93Å; N243-I267 PolarHBondContact OD1-O 2.88Å
268	V	97.9	Very high	85.4	Confident	2 Å²	2	61.6 Å²	61.6	1%	0.012	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	126.7	-177.9	-168.1	0	0	0	0	108.8	R181 V182 I239 E241 L266 V270	R181-V268 CarbonylContact C-O 3.56Å; R181-V268 WeakPolarHBondContact CA-O 3.29Å; V182-V268 PolarHBondContact N-O 3.41Å; V182-V268 PolarHBondContact O-N 3.4Å; I239-V268 HydrophobicContact CG2-CG1 3.48Å; I239-V268 VanDerWaalsContact CG2-CG1 3.48Å; E241-V268 WeakPolarHBondContact O-CA 3.08Å; L266-V268 HydrophobicContact CD1-CG2 4.48Å; L266-V268 HydrophobicContact CD2-CG2 3.53Å; L266-V268 HydrophobicContact CG-CG2 3.62Å; V268-V270 HydrophobicContact CG1-CG1 3.68Å
269	T	97.9	Very high	83.4	Confident	2 Å²	2	65.5 Å²	65.5	1%	0.012	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	120.8	168.4	-52.9	0	0	0	0	108.5	L175 R181 L240 E241	L175-T269 HydrophobicContact CD2-CG2 4.45Å; R181-T269 PolarHBondContact NE-OG1 3.17Å; L240-T269 PolarHBondContact N-O 2.88Å; E241-T269 PolarHBondContact N-O 2.85Å; E241-T269 PolarHBondContact O-N 2.92Å; E241-T269 WeakPolarHBondContact OE2-CB 3.15Å; E241-T269 PolarHBondContact OE2-OG1 3.39Å
270	V	97.4	Very high	81.1	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	156.4	178.8	-56.4	0	0	0	0	111.7	Y179 R180 L233 D237 E238 I239 V268 P272	Y179-V270 CarbonylContact C-O 3.19Å; Y179-V270 VanDerWaalsContact CA-O 3.29Å; Y179-V270 WeakPolarHBondContact CA-O 3.34Å; R180-V270 HydrophobicContact CB-CG2 4.17Å; R180-V270 PolarHBondContact N-O 2.87Å; R180-V270 PolarHBondContact O-N 3.06Å; L233-V270 HydrophobicContact CD2-CG1 3.88Å; L233-V270 HydrophobicContact CD2-CG2 4.01Å; D237-V270 HydrophobicContact CB-CB 4.33Å; E238-V270 CarbonylContact O-C 3.52Å; E238-V270 WeakPolarHBondContact O-CA 3.49Å; E238-V270 WeakPolarHBondContact O-CB 3.45Å; I239-V270 HydrophobicContact CG1-CG1 4.16Å; V268-V270 HydrophobicContact CG1-CG1 3.68Å; V270-P272 HydrophobicContact CG2-CG 4.43Å
271	K	95.7	Very high	78.8	Confident	72 Å²	72	71.5 Å²	71.5	31%	0.313	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	105.3	165.6	166	-175.8	157	-156.3	0	107	Y179 E238 L240	Y179-K271 HydrophobicContact CD1-CB 3.77Å; Y179-K271 HydrophobicContact CD1-CG 4.23Å; Y179-K271 HydrophobicContact CE1-CB 3.98Å; Y179-K271 HydrophobicContact CE1-CD 4.12Å; Y179-K271 HydrophobicContact CE1-CG 4.2Å; E238-K271 HydrophobicContact CB-CB 4.25Å; E238-K271 PolarHBondContact N-O 3.23Å; E238-K271 PolarHBondContact O-N 3.06Å; E238-K271 WeakPolarHBondContact OE2-CD 3.46Å; E238-K271 WeakPolarHBondContact OE2-CE 3.28Å; E238-K271 IonicContact OE2-NZ 3.83Å; E238-K271 PolarHBondContact OE2-NZ 3.37Å; L240-K271 HydrophobicContact CD1-CB 4.14Å
272	P	94.8	Very high	76.5	Confident	19 Å²	19	79.8 Å²	79.8	12%	0.123	40%	0.403	C	S	.	.			trans	-63.3	140.1	-171.9	-26	36.2	0	0	0	113.6	S178 R180 D237 V270 N274	S178-P272 VanDerWaalsContact O-CD 3.25Å; S178-P272 WeakPolarHBondContact O-CD 3.25Å; R180-P272 HydrophobicContact CB-CG 4.13Å; D237-P272 VanDerWaalsContact OD1-CA 3.26Å; D237-P272 WeakPolarHBondContact OD1-CA 3.37Å; V270-P272 HydrophobicContact CG2-CG 4.43Å; P272-N274 PolarHBondContact O-N 3.1Å
273	A	86.1	Confident	74	Confident	41 Å²	41	79.8 Å²	79.8	34%	0.339	42%	0.416	S	S	.	.	S	Bend	trans	-62.9	-38.4	-172.9	0	0	0	0	0	113.8	N236 D237	N236-A273 HydrophobicContact CB-CB 3.88Å; N236-A273 WeakPolarHBondContact O-CB 3.33Å; D237-A273 PolarHBondContact OD1-N 3.39Å
274	N	65.2	Low	72.1	Confident	119 Å²	119	84.2 Å²	84.2	64%	0.636	45%	0.447	S	S	*	.			trans	-155.3	109.4	180	-91.8	-72.5	0	0	0	109.6	P272 R276	P272-N274 PolarHBondContact O-N 3.1Å; N274-R276 PolarHBondContact O-N 3.43Å
275	Q	55.4	Low	69.8	Low	102 Å²	102	87.4 Å²	87.4	48%	0.477	46%	0.46	S	S	.	.	G	3₁₀ helix	trans	-66.9	-20.9	-178.5	-70.8	-178.7	-23.9	0	0	113.8	E177 N277 N278	E177-Q275 PolarHBondContact O-NE2 2.9Å; Q275-N277 VanDerWaalsContact C-N 3.26Å; Q275-N277 PolarHBondContact O-N 3Å; Q275-N278 PolarHBondContact O-N 3.29Å
276	R	54.1	Low	67.5	Low	236 Å²	236	90.6 Å²	90.6	89%	0.891	48%	0.477	S	S	*	.	G	3₁₀ helix	trans	-53.8	-28.1	-172.4	-82.2	-178.8	163.6	177.8	-6.3	116.3	N274	N274-R276 PolarHBondContact O-N 3.43Å
277	N	49.9	Very low	64.8	Low	149 Å²	149	95.9 Å²	95.9	80%	0.797	51%	0.514	S	S	*	.	G	3₁₀ helix	trans	-103.3	-18.4	-179.8	-90.8	15.9	0	0	0	114.9	Q275	Q275-N277 VanDerWaalsContact C-N 3.26Å; Q275-N277 PolarHBondContact O-N 3Å
278	N	50.6	Low	62.1	Low	57 Å²	57	102 Å²	102	31%	0.305	54%	0.543	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105	1.2	-160.7	-72.4	-10.7	0	0	0	115	R180 Q275	R180-N278 PolarHBondContact NH2-O 2.86Å; Q275-N278 PolarHBondContact O-N 3.29Å
279	I	53.9	Low	59	Low	115 Å²	115	104.8 Å²	104.8	59%	0.59	57%	0.573	S	S	*	*			trans	-144.3	92.4	165.5	-50.7	176.9	0	0	0	107.5	P281	I279-P281 VanDerWaalsContact O-CD 3.23Å; I279-P281 WeakPolarHBondContact O-CD 3.14Å
280	A	47.5	Very low	56.2	Low	89 Å²	89	113.9 Å²	113.9	74%	0.736	62%	0.615	S	S	*	*			trans	-72.8	114.1	165.2	0	0	0	0	0	108.2	R282	A280-R282 PolarHBondContact O-N 3.07Å
281	P	46.6	Very low	53.4	Low	114 Å²	114	119.9 Å²	119.9	74%	0.74	66%	0.657	S	S	*	*			trans	-66.6	127	177.1	-14.8	30.4	0	0	0	108.3	I279 G283	I279-P281 VanDerWaalsContact O-CD 3.23Å; I279-P281 WeakPolarHBondContact O-CD 3.14Å; P281-G283 PolarHBondContact O-N 3.38Å
282	R	46.4	Very low	50.6	Low	259 Å²	259	120.6 Å²	120.6	98%	0.977	69%	0.685	S	S	*	*			trans	-75.1	53.6	166.2	-81.1	-176.8	163.5	153.4	-4.1	110.7	A280	A280-R282 PolarHBondContact O-N 3.07Å
283	G	40.8	Very low	48	Very low	57 Å²	57	125.4 Å²	125.4	59%	0.588	72%	0.719	S	S	*	*			trans	-69	134.1	167.7	0	0	0	0	0	109.6	P281 K285	P281-G283 PolarHBondContact O-N 3.38Å; G283-K285 PolarHBondContact O-N 2.83Å
284	S	53.3	Low	45.7	Very low	105 Å²	105	130.6 Å²	130.6	73%	0.734	75%	0.746	S	S	*	*			trans	-69.2	104.5	-171.7	-157.5	0	0	0	0	111.6	N286	S284-N286 PolarHBondContact O-N 3.49Å; S284-N286 PolarHBondContact OG-OD1 3.32Å
285	K	42.9	Very low	44.3	Very low	201 Å²	201	128.8 Å²	128.8	87%	0.874	76%	0.755	S	S	*	*			trans	-83.5	87.7	162.8	-76.6	-164.6	173.5	-170.9	0	109.4	G283 S287	G283-K285 PolarHBondContact O-N 2.83Å; K285-S287 PolarHBondContact O-N 2.72Å
286	N	45.5	Very low	43.4	Very low	126 Å²	126	130.3 Å²	130.3	67%	0.674	78%	0.777	S	S	*	*			trans	-69.7	77.8	166.9	-68.5	18.9	0	0	0	109.4	S284 M288	S284-N286 PolarHBondContact O-N 3.49Å; S284-N286 PolarHBondContact OG-OD1 3.32Å; N286-M288 PolarHBondContact O-N 3.44Å; N286-M288 VanDerWaalsContact O-N 3.17Å
287	S	40.8	Very low	42.4	Very low	111 Å²	111	122.9 Å²	122.9	78%	0.776	77%	0.774	S	S	*	*			trans	-73.1	106.5	172.7	-158.2	0	0	0	0	109.7	K285	K285-S287 PolarHBondContact O-N 2.72Å
288	M	40.5	Very low	41.6	Very low	166 Å²	166	119.7 Å²	119.7	82%	0.818	78%	0.777	S	S	*	*			trans	-69.5	160.2	163.6	-72	-74.1	121.1	0	0	110.5	N286	N286-M288 PolarHBondContact O-N 3.44Å; N286-M288 VanDerWaalsContact O-N 3.17Å
289	G	34.3	Very low	40.9	Very low	61 Å²	61	122.8 Å²	122.8	63%	0.629	80%	0.803	S	S	*	*			trans	77.3	113.2	174.4	0	0	0	0	0	113.4
290	H	37.9	Very low	40.1	Very low	192 Å²	192	126 Å²	126	89%	0.889	82%	0.819	S	S	*	*			cis	-150.9	145	40.7	-75.4	-83.5	0	0	0	112.7
291	S	39.3	Very low	39.3	Very low	127 Å²	127	124.8 Å²	124.8	89%	0.888	82%	0.815	S	S	*	*			trans	-160.4	88.6	156.5	-83.9	0	0	0	0	108	S293	S291-S293 PolarHBondContact O-N 3.04Å
292	G	36.3	Very low	38.9	Very low	87 Å²	87	125.5 Å²	125.5	90%	0.897	82%	0.823	S	S	*	*			trans	-76.6	115.1	172.7	0	0	0	0	0	109.8
293	S	40	Very low	38.2	Very low	120 Å²	120	117.8 Å²	117.8	84%	0.839	81%	0.814	S	S	*	*			trans	-145	126.2	165.5	-168.6	0	0	0	0	109.2	S291	S291-S293 PolarHBondContact O-N 3.04Å
294	V	39.5	Very low	37.9	Very low	149 Å²	149	123.5 Å²	123.5	90%	0.903	83%	0.83	S	S	*	*			trans	-100.2	144.1	-177.7	-69.9	0	0	0	0	110.2
295	G	35.6	Very low	37.1	Very low	81 Å²	81	124.4 Å²	124.4	84%	0.835	84%	0.837	S	S	*	*			trans	148.2	83.8	174.7	0	0	0	0	0	114
296	S	36.4	Very low	36.8	Very low	134 Å²	134	122.9 Å²	122.9	94%	0.937	83%	0.832	S	S	*	*			trans	-83.6	144.2	171.6	-52.3	0	0	0	0	111.5
297	G	32.5	Very low	36	Very low	81 Å²	81	122.7 Å²	122.7	84%	0.835	83%	0.832	S	S	*	*			trans	177.2	125.3	168.4	0	0	0	0	0	115
298	G	31.9	Very low	35.9	Very low	82 Å²	82	122.1 Å²	122.1	85%	0.845	83%	0.827	S	S	*	*			trans	106.8	113.9	166.3	0	0	0	0	0	115.5
299	S	37.3	Very low	36.3	Very low	122 Å²	122	119.5 Å²	119.5	85%	0.853	82%	0.823	S	S	*	*			trans	-123.8	129.4	173.6	-53.6	0	0	0	0	111.2
300	I	37.3	Very low	36.2	Very low	183 Å²	183	122 Å²	122	94%	0.938	83%	0.831	S	S	*	*			trans	-169.9	149.6	154.4	41.6	171.5	0	0	0	107.1
301	G	31.2	Very low	36.8	Very low	63 Å²	63	118.9 Å²	118.9	65%	0.649	83%	0.827	S	S	*	*			cis	160.2	125.9	-8.8	0	0	0	0	0	111.6
302	S	36.2	Very low	36.5	Very low	129 Å²	129	116.7 Å²	116.7	90%	0.902	82%	0.817	S	S	*	*			trans	65.5	162.8	178.9	79.4	0	0	0	0	116.1
303	A	32.5	Very low	36.5	Very low	96 Å²	96	117.9 Å²	117.9	79%	0.793	81%	0.812	S	S	*	*			cis	-142.1	-178.4	8.3	0	0	0	0	0	113.1
304	L	35.3	Very low	36.3	Very low	177 Å²	177	120.6 Å²	120.6	93%	0.927	81%	0.811	S	S	*	*			trans	-110	155.8	-169.5	-64.5	162.5	0	0	0	113.8
305	S	36.3	Very low	36	Very low	124 Å²	124	118 Å²	118	87%	0.867	80%	0.799	S	S	*	*			trans	-156.6	134.9	153.5	60.3	0	0	0	0	114.3
306	H	35.8	Very low	36	Very low	169 Å²	169	121.2 Å²	121.2	78%	0.782	80%	0.797	S	S	*	*			trans	-62.2	172.8	168.1	-117.8	-136.9	0	0	0	112.4
307	D	29.8	Very low	36.4	Very low	123 Å²	123	119.4 Å²	119.4	66%	0.658	78%	0.782	S	S	*	*			cis	-153.6	-165.6	9.8	-150.4	-26.6	0	0	0	112.2
308	S	37.1	Very low	36.4	Very low	98 Å²	98	122.9 Å²	122.9	69%	0.685	78%	0.78	S	S	*	*			trans	-113.4	-158	-161.5	-38.7	0	0	0	0	111.4
309	P	50.1	Low	36.4	Very low	111 Å²	111	125.5 Å²	125.5	72%	0.721	78%	0.78	S	S	*	*			cis	-144.1	161.2	1.4	41.3	-21.1	0	0	0	120.5
310	S	32.7	Very low	36.1	Very low	114 Å²	114	123.8 Å²	123.8	80%	0.797	77%	0.774	S	S	*	*			trans	66	160.5	142.1	-68.6	0	0	0	0	122.8
311	P	49.6	Very low	35.7	Very low	126 Å²	126	121.1 Å²	121.1	82%	0.818	77%	0.771	S	S	*	*			cis	-108.6	-159.9	-14.3	42	-30.2	0	0	0	110.6
312	A	32.6	Very low	35.7	Very low	81 Å²	81	123.7 Å²	123.7	67%	0.669	78%	0.779	S	S	*	*			cis	-146.4	163.8	-0.7	0	0	0	0	0	107.3
313	S	36.7	Very low	35.5	Very low	113 Å²	113	122.7 Å²	122.7	79%	0.79	77%	0.772	S	S	*	*				58.1	123	54.1	-43.7	0	0	0	0	114.2
314	Q	35.5	Very low	35.5	Very low	177 Å²	177	125.6 Å²	125.6	83%	0.827	77%	0.773	S	S	*	*			cis	-141.6	129.8	26.4	-70.3	172.6	11.2	0	0	109.7
315	S	34.4	Very low	35.4	Very low	94 Å²	94	121 Å²	121	66%	0.657	76%	0.76	S	S	*	*				57.9	139.6	78.6	77.7	0	0	0	0	115
316	N	34.4	Very low	35.5	Very low	148 Å²	148	124 Å²	124	79%	0.791	76%	0.761	S	S	*	*			cis	177.6	-171.6	-3.4	-105.7	0.3	0	0	0	106.7
317	P	46	Very low	35.3	Very low	96 Å²	96	119.1 Å²	119.1	62%	0.623	76%	0.755	S	S	*	*			cis	-136.4	179.7	-48.7	41.4	-25	0	0	0	114.1
318	I	32.1	Very low	35.5	Very low	154 Å²	154	120.3 Å²	120.3	79%	0.79	76%	0.762	S	S	*	*			trans	45.6	128.5	138.4	-64.2	164.3	0	0	0	119
319	T	32.4	Very low	35.5	Very low	137 Å²	137	120.6 Å²	120.6	84%	0.84	76%	0.764	S	S	*	*				-165.7	152.4	89.5	-53.1	0	0	0	0	111.9
320	A	29.4	Very low	35.3	Very low	87 Å²	87	125 Å²	125	72%	0.719	77%	0.768	S	S	*	*			trans	-103	161.3	179.6	0	0	0	0	0	113.7
321	S	30	Very low	35.4	Very low	127 Å²	127	127.6 Å²	127.6	89%	0.888	77%	0.767	S	S	*	*			trans	-172.3	165.9	145.3	-83.3	0	0	0	0	111.7
322	S	30.3	Very low	35.1	Very low	116 Å²	116	130.9 Å²	130.9	81%	0.811	77%	0.772	S	S	*	*			trans	-114.2	148.4	-163.7	-45.4	0	0	0	0	114.9
323	S	32.9	Very low	35.5	Very low	108 Å²	108	133.7 Å²	133.7	76%	0.755	78%	0.775	S	S	*	*			trans	-159.7	117	157.3	52.7	0	0	0	0	108
324	I	32.3	Very low	36.3	Very low	158 Å²	158	135.9 Å²	135.9	81%	0.81	78%	0.778	S	S	*	*				84.4	127.6	61.9	-69.2	165.2	0	0	0	112.2
325	A	33.5	Very low	36.9	Very low	80 Å²	80	135 Å²	135	66%	0.661	78%	0.779	S	S	*	*			trans	67.5	151.8	168.1	0	0	0	0	0	117
326	E	37.4	Very low	37.4	Very low	188 Å²	188	134.2 Å²	134.2	88%	0.879	79%	0.786	S	S	*	*			cis	-162.7	158.5	-11.8	-118	161.9	-157	0	0	110.1
327	G	32.1	Very low	37.8	Very low	65 Å²	65	134.5 Å²	134.5	67%	0.67	79%	0.787	S	S	*	*			trans	69.7	155.8	162	0	0	0	0	0	118.3
328	D	34	Very low	37.9	Very low	149 Å²	149	134.8 Å²	134.8	80%	0.797	79%	0.787	S	S	*	*			cis	-147.5	154.2	-16.1	-95.3	-34.1	0	0	0	109.5	Y330	D328-Y330 HydrophobicContact CB-CE1 4.35Å
329	S	38.1	Very low	38.2	Very low	104 Å²	104	135 Å²	135	73%	0.727	79%	0.788	S	S	*	*			trans	-111	132.1	-176.9	56.7	0	0	0	0	112.2
330	Y	44.1	Very low	38.5	Very low	203 Å²	203	136 Å²	136	80%	0.796	79%	0.787	S	S	*	*			trans	-137.7	101.8	158.1	2.9	-84.6	0	0	0	108.3	D328	D328-Y330 HydrophobicContact CB-CE1 4.35Å
331	E	35	Very low	39	Very low	168 Å²	168	140.8 Å²	140.8	79%	0.785	80%	0.795	S	S	*	*			trans	-78	142.2	158.7	-53.8	-73.2	154.5	0	0	107.2
332	E	44.8	Very low	39.2	Very low	196 Å²	196	142 Å²	142	92%	0.916	79%	0.792	S	S	*	*			trans	-124.9	109.1	159.6	-80.8	-169.7	138.9	0	0	107.6
333	D	40.8	Very low	39.4	Very low	140 Å²	140	144.4 Å²	144.4	75%	0.749	80%	0.795	S	S	*	*			trans	-73.7	142.1	174.2	-55.4	-73.7	0	0	0	110.9
334	D	53.8	Low	39.4	Very low	159 Å²	159	143.9 Å²	143.9	85%	0.85	79%	0.791	S	S	*	*			trans	-138.3	93.6	164.4	-171.4	32.5	0	0	0	109.8	G336	D334-G336 PolarHBondContact O-N 3.19Å; D334-G336 VanDerWaalsContact O-N 3.1Å
335	D	46.4	Very low	39.4	Very low	157 Å²	157	144.3 Å²	144.3	84%	0.84	79%	0.794	S	S	*	*			trans	-76.6	87.7	-178	-81.3	-51.2	0	0	0	111.9
336	G	46.7	Very low	39.3	Very low	78 Å²	78	145.9 Å²	145.9	80%	0.804	80%	0.8	S	S	*	*			trans	-96.5	78.3	175.4	0	0	0	0	0	114.2	D334	D334-G336 PolarHBondContact O-N 3.19Å; D334-G336 VanDerWaalsContact O-N 3.1Å
337	D	42.8	Very low	39.5	Very low	154 Å²	154	142.6 Å²	142.6	82%	0.824	80%	0.795	S	S	*	*			trans	-80.2	162	-170.6	-154.3	13.8	0	0	0	115.9
338	V	48.3	Very low	39.4	Very low	103 Å²	103	145.8 Å²	145.8	62%	0.624	80%	0.797	S	S	*	*			trans	-65	140.1	-158.9	-171	0	0	0	0	116.5	L340	V338-L340 HydrophobicContact CG1-CB 4.44Å; V338-L340 HydrophobicContact CG1-CD1 4.3Å; V338-L340 HydrophobicContact CG1-CG 3.97Å
339	I	36.6	Very low	39.2	Very low	158 Å²	158	147.2 Å²	147.2	81%	0.81	80%	0.796	S	S	*	*			trans	-128.3	126.3	137.6	-61.9	-175.7	0	0	0	110.3	E341	I339-E341 HydrophobicContact CG2-CG 4.37Å
340	L	40.5	Very low	38.7	Very low	157 Å²	157	151.6 Å²	151.6	82%	0.822	80%	0.798	S	S	*	*			trans	-114.6	113	167	-80.3	167.9	0	0	0	108.5	V338	V338-L340 HydrophobicContact CG1-CB 4.44Å; V338-L340 HydrophobicContact CG1-CD1 4.3Å; V338-L340 HydrophobicContact CG1-CG 3.97Å
341	E	39.3	Very low	38.2	Very low	189 Å²	189	152 Å²	152	88%	0.883	80%	0.804	S	S	*	*			trans	-126.1	131.3	159.9	-72.2	-162.7	139.3	0	0	109.8	I339	I339-E341 HydrophobicContact CG2-CG 4.37Å
342	N	32.8	Very low	38.5	Very low	152 Å²	152	148.3 Å²	148.3	81%	0.813	80%	0.795	S	S	*	*			trans	-146.3	93.1	-173.3	171.8	99.8	0	0	0	106.9
343	D	35.9	Very low	37.8	Very low	166 Å²	166	145.8 Å²	145.8	89%	0.888	79%	0.786	S	S	*	*			trans	-137.5	153.4	178.1	-122.1	-37.5	0	0	0	112.5
344	C	33.3	Very low	37.3	Very low	98 Å²	98	145.5 Å²	145.5	66%	0.662	79%	0.79	S	S	*	*			trans	-121.6	166.2	-168.8	-77.9	0	0	0	0	111.6
345	L	31.3	Very low	36.3	Very low	166 Å²	166	145 Å²	145	87%	0.869	79%	0.787	S	S	*	*			trans	72.6	145.6	175.9	-38.9	174	0	0	0	111.9
346	S	32.3	Very low	35.5	Very low	113 Å²	113	142.4 Å²	142.4	79%	0.79	78%	0.781	S	S	*	*			cis	-153.9	172.9	39.4	-71.4	0	0	0	0	113.1
347	P	41.7	Very low	34.9	Very low	119 Å²	119	143 Å²	143	77%	0.773	77%	0.773	S	S	*	*			trans	-115.6	174.9	-167.1	41.5	-32.8	0	0	0	116.5
348	N	29.5	Very low	34.4	Very low	133 Å²	133	141.7 Å²	141.7	71%	0.711	77%	0.771	S	S	*	*			trans	100.8	154.8	136.6	-148.6	-1.6	0	0	0	120.1
349	K	29.1	Very low	33.7	Very low	179 Å²	179	143.4 Å²	143.4	78%	0.778	78%	0.776	S	S	*	*			trans	79.3	126.4	173.7	-58.2	175.2	-177.5	174.1	0	116.7
350	Y	28.6	Very low	33.4	Very low	195 Å²	195	142.5 Å²	142.5	77%	0.765	77%	0.773	S	S	*	*			cis	83.5	118.6	42.9	-91.3	-80.8	0	0	0	115.1
351	F	33	Very low	33.1	Very low	212 Å²	212	144.3 Å²	144.3	93%	0.93	77%	0.768	S	S	*	*			trans	-152.9	159.2	136.8	-82.1	-64.8	0	0	0	111.1
352	P	41.1	Very low	32.6	Very low	90 Å²	90	141 Å²	141	58%	0.584	76%	0.757	S	S	*	*			trans	-142	177.9	-154.7	45.5	-28.1	0	0	0	118
353	I	30.9	Very low	32.6	Very low	143 Å²	143	139 Å²	139	73%	0.733	76%	0.755	S	S	*	*			trans	65.7	127.9	152.9	-68.3	155.8	0	0	0	116.2
354	T	30.3	Very low	33.5	Very low	135 Å²	135	136 Å²	136	83%	0.828	74%	0.744	S	S	*	*				-165.6	170.1	84.8	45.9	0	0	0	0	112.9
355	N	31.8	Very low	33.6	Very low	147 Å²	147	139.1 Å²	139.1	79%	0.786	75%	0.749	S	S	*	*			cis	177.5	125.5	-37.2	-155.7	16.2	0	0	0	108.8
356	S	30.1	Very low	33.7	Very low	104 Å²	104	140.9 Å²	140.9	73%	0.727	75%	0.749	S	S	*	*			trans	-167.6	93.3	165.3	58.7	0	0	0	0	110.6
357	S	32.7	Very low	33.5	Very low	90 Å²	90	138.9 Å²	138.9	63%	0.629	75%	0.746	S	S	*	*				76.9	90.1	96.5	68.9	0	0	0	0	113.9
358	T	33.6	Very low	33.1	Very low	127 Å²	127	141.9 Å²	141.9	78%	0.779	75%	0.75	S	S	*	*				80.1	146.5	89.1	60.5	0	0	0	0	113.9
359	L	33.9	Very low	33.4	Very low	139 Å²	139	143.8 Å²	143.8	73%	0.728	75%	0.754	S	S	*	*			cis	-147	154.7	21.9	-72.3	168.9	0	0	0	112.5
360	N	30.7	Very low	33.6	Very low	139 Å²	139	139.7 Å²	139.7	74%	0.743	75%	0.748	S	S	*	*			trans	53.7	158.8	133.7	-65.6	-6.5	0	0	0	124.1
361	R	32.3	Very low	33.7	Very low	194 Å²	194	136.3 Å²	136.3	73%	0.732	75%	0.748	S	S	*	*			cis	-179.2	160	-23.6	170.9	168.9	163.6	-166.9	-21.4	110.7
362	D	29.3	Very low	33.8	Very low	121 Å²	121	133.5 Å²	133.5	65%	0.647	74%	0.741	S	S	*	*			trans	76.9	164.9	161	-74.2	-9.9	0	0	0	120.9
363	S	33.9	Very low	34.3	Very low	110 Å²	110	134.6 Å²	134.6	77%	0.769	75%	0.748	S	S	*	*			trans	-150.1	-166.3	-178	-48.1	0	0	0	0	107
364	P	54.6	Low	34.6	Very low	102 Å²	102	136.4 Å²	136.4	66%	0.662	75%	0.754	S	S	*	*			cis	-137.1	-166	-11.9	31.3	-6.8	0	0	0	114.5
365	H	35.6	Very low	35.1	Very low	163 Å²	163	135 Å²	135	76%	0.755	75%	0.749	S	S	*	*			trans	84.8	131	150.4	-73.6	-42.1	0	0	0	124.4
366	K	32.7	Very low	35.1	Very low	204 Å²	204	134.5 Å²	134.5	89%	0.887	75%	0.751	S	S	*	*			trans	64.2	145.1	154	-61.7	170.3	-177.8	178.3	0	117.8
367	G	28.8	Very low	35.4	Very low	70 Å²	70	134.4 Å²	134.4	72%	0.722	75%	0.75	S	S	*	*			cis	142.9	135.6	-15.3	0	0	0	0	0	114.8
368	Q	33.4	Very low	35.5	Very low	182 Å²	182	137.9 Å²	137.9	85%	0.85	76%	0.759	S	S	*	*			trans	147.1	140.7	148.6	-85.1	-177.7	-0.5	0	0	115
369	H	35	Very low	36.5	Very low	174 Å²	174	137.6 Å²	137.6	81%	0.806	76%	0.759	S	S	*	*			trans	53.6	150.7	155.2	-78.5	-115.4	0	0	0	120.7
370	S	32.7	Very low	36.5	Very low	92 Å²	92	137.6 Å²	137.6	64%	0.643	76%	0.76	S	S	*	*			cis	-163.8	-168.2	-23.8	51	0	0	0	0	106.7
371	T	31.1	Very low	36.8	Very low	125 Å²	125	135.7 Å²	135.7	77%	0.767	76%	0.757	S	S	*	*			cis	-158.3	-161.8	17.5	-34.9	0	0	0	0	109.3
372	I	35.3	Very low	37	Very low	153 Å²	153	135 Å²	135	79%	0.785	77%	0.767	S	S	*	*			trans	-137	162.3	171.2	-17	177.6	0	0	0	109.6
373	P	51.2	Low	37.1	Very low	112 Å²	112	133 Å²	133	73%	0.727	78%	0.775	S	S	*	*				-148.8	165.6	81.1	35.9	-14.7	0	0	0	118.1
374	Q	38.3	Very low	37.1	Very low	182 Å²	182	132.5 Å²	132.5	85%	0.85	78%	0.778	S	S	*	*			trans	11.4	155.8	134.9	-57.8	-179.3	-14.6	0	0	120.7
375	S	39.5	Very low	36.1	Very low	105 Å²	105	133.1 Å²	133.1	73%	0.734	78%	0.784	S	S	*	*			cis	-165.6	-165.3	-1.3	42.8	0	0	0	0	108.5
376	V	32.8	Very low	36	Very low	137 Å²	137	133.3 Å²	133.3	83%	0.83	79%	0.79	S	S	*	*			cis	-140.4	-129.3	20.2	-70.8	0	0	0	0	113.7
377	S	35.3	Very low	36.1	Very low	102 Å²	102	127.5 Å²	127.5	71%	0.713	78%	0.775	S	S	*	*			trans	-162.9	152.6	-157.4	61	0	0	0	0	119.5
378	M	35	Very low	36.2	Very low	163 Å²	163	132.6 Å²	132.6	80%	0.803	78%	0.78	S	S	*	*			trans	69.9	167.3	150.7	-72.5	-67.9	-177.7	0	0	119.1
379	P	54.4	Low	36.2	Very low	120 Å²	120	129.4 Å²	129.4	78%	0.779	78%	0.777	S	S	*	*			cis	-135	-164.8	11.9	44.5	-25.6	0	0	0	118.1
380	N	33.9	Very low	36.1	Very low	140 Å²	140	127 Å²	127	75%	0.749	78%	0.781	S	S	*	*			trans	-75.1	179.2	-178.5	-52.5	-39.1	0	0	0	114
381	S	38.7	Very low	36.2	Very low	99 Å²	99	129.4 Å²	129.4	69%	0.692	79%	0.791	S	S	*	*			cis	-179.7	159.4	42	46.6	0	0	0	0	116.6
382	L	36.3	Very low	36.5	Very low	179 Å²	179	131.5 Å²	131.5	94%	0.937	80%	0.795	S	S	*	*			trans	52.8	139.1	142.1	-64.4	166.1	0	0	0	124.1
383	G	31.7	Very low	36.5	Very low	78 Å²	78	132.9 Å²	132.9	80%	0.804	80%	0.8	S	S	*	*			trans	173.2	124.7	159.7	0	0	0	0	0	117.8
384	A	33.7	Very low	35.6	Very low	101 Å²	101	131.4 Å²	131.4	84%	0.835	79%	0.792	S	S	*	*			trans	-45.7	140.3	174.9	0	0	0	0	0	116.3
385	S	33	Very low	35.4	Very low	114 Å²	114	130 Å²	130	80%	0.797	79%	0.785	S	S	*	*				77.7	126.4	65.7	-169.9	0	0	0	0	115.8
386	L	34.2	Very low	35.3	Very low	168 Å²	168	133.2 Å²	133.2	88%	0.88	79%	0.788	S	S	*	*			trans	-172.8	168	145.6	-105.9	167.7	0	0	0	112.4
387	S	33.5	Very low	35.4	Very low	82 Å²	82	134.1 Å²	134.1	57%	0.573	79%	0.788	S	S	*	*			trans	-113.9	169	-169.8	44.9	0	0	0	0	114.3
388	H	32.3	Very low	35.2	Very low	176 Å²	176	132.6 Å²	132.6	82%	0.815	79%	0.789	S	S	*	*				155.3	151.4	125.6	-82.5	-68.5	0	0	0	113.9
389	S	32.2	Very low	34.9	Very low	115 Å²	115	128.4 Å²	128.4	80%	0.804	79%	0.788	S	S	*	*			trans	-93.8	165.2	179	-44.5	0	0	0	0	112.4
390	S	33.9	Very low	33.8	Very low	125 Å²	125	129.2 Å²	129.2	87%	0.874	80%	0.796	S	S	*	*			trans	-153.4	157	161.1	-81.4	0	0	0	0	111.5
391	T	34.9	Very low	33.9	Very low	141 Å²	141	126.8 Å²	126.8	87%	0.865	80%	0.796	S	S	*	*			trans	-109.4	165.4	-163.3	-53.7	0	0	0	0	112.2
392	M	37	Very low	33.8	Very low	170 Å²	170	131.4 Å²	131.4	84%	0.837	81%	0.806	S	S	*	*			trans	-54.6	150.7	174.3	-62.2	177.9	165.9	0	0	114.7
393	M	33.8	Very low	33.7	Very low	182 Å²	182	127.8 Å²	127.8	90%	0.897	80%	0.795	S	S	*	*			trans	-147.8	170.2	144.8	-101.5	-56.3	110.1	0	0	110.4
394	S	33.1	Very low	33.7	Very low	81 Å²	81	130.1 Å²	130.1	57%	0.566	79%	0.794	S	S	*	*			trans	-143.7	171.4	-160.2	54.5	0	0	0	0	115
395	H	35.3	Very low	33.6	Very low	152 Å²	152	130 Å²	130	70%	0.704	79%	0.787	S	S	*	*			trans	94.5	142.2	163.3	-61.2	-75.2	0	0	0	121.2
396	H	36.7	Very low	33.7	Very low	172 Å²	172	129.3 Å²	129.3	80%	0.796	78%	0.782	S	S	*	*			trans	72.8	140.7	154.6	-65.3	-39.6	0	0	0	118.8
397	N	34.7	Very low	33.6	Very low	156 Å²	156	127.2 Å²	127.2	83%	0.834	78%	0.781	S	S	*	*			cis	-157.2	159.9	-8.2	-169.5	24.9	0	0	0	111.9
398	G	30.1	Very low	33.6	Very low	70 Å²	70	132.5 Å²	132.5	72%	0.722	80%	0.797	S	S	*	*			trans	87.2	150.2	162.1	0	0	0	0	0	116.8
399	G	28.6	Very low	33.6	Very low	76 Å²	76	132.7 Å²	132.7	78%	0.784	80%	0.799	S	S	*	*			cis	145	94.3	-12	0	0	0	0	0	115.3
400	S	33	Very low	33.6	Very low	137 Å²	137	132.2 Å²	132.2	96%	0.958	80%	0.795	S	S	*	*			trans	-167.6	158.1	156.6	-84.8	0	0	0	0	110.3
401	A	35.9	Very low	34.2	Very low	89 Å²	89	134.7 Å²	134.7	74%	0.736	80%	0.795	S	S	*	*			trans	-123.3	156.5	-172.8	0	0	0	0	0	112.1
402	H	36.4	Very low	34.2	Very low	195 Å²	195	137.4 Å²	137.4	90%	0.903	80%	0.795	S	S	*	*			trans	-151.9	145.1	153	-96.4	-73	0	0	0	110.8
403	S	33.2	Very low	34.8	Very low	103 Å²	103	138.6 Å²	138.6	72%	0.72	80%	0.798	S	S	*	*			trans	-82.1	174.2	165.9	44.6	0	0	0	0	109.8
404	V	32.7	Very low	34.9	Very low	127 Å²	127	137 Å²	137	77%	0.77	79%	0.793	S	S	*	*				-166.1	142.7	57	168.4	0	0	0	0	111.8
405	S	30.8	Very low	35.4	Very low	100 Å²	100	136.4 Å²	136.4	70%	0.699	80%	0.8	S	S	*	*			trans	30.2	125.1	150.1	-136.4	0	0	0	0	124.4
406	S	34.5	Very low	36.1	Very low	98 Å²	98	135.3 Å²	135.3	69%	0.685	80%	0.799	S	S	*	*				40.6	133.3	128.9	69	0	0	0	0	123.4
407	S	32.2	Very low	36.5	Very low	124 Å²	124	131.1 Å²	131.1	87%	0.867	79%	0.786	S	S	*	*				-156.9	154.2	128.8	-79.5	0	0	0	0	111.3
408	Q	34.3	Very low	37.6	Very low	193 Å²	193	127.2 Å²	127.2	90%	0.902	76%	0.764	S	S	*	*			trans	-78.3	161.2	162.4	-62.5	168	-88.8	0	0	108.2
409	E	32.3	Very low	38.2	Very low	181 Å²	181	127.7 Å²	127.7	85%	0.846	75%	0.753	S	S	*	*				176.3	172.3	83.1	-153.6	-168.5	105.4	0	0	110.7
410	S	31.7	Very low	39.4	Very low	104 Å²	104	124.8 Å²	124.8	73%	0.727	72%	0.719	S	S	*	*			trans	76.4	122.9	155	-142.5	0	0	0	0	119
411	M	46.2	Very low	39.7	Very low	178 Å²	178	124.2 Å²	124.2	88%	0.877	71%	0.708	S	S	*	*			trans	-84.3	153.5	177.2	-55.9	173.5	-68.8	0	0	111.4
412	K	35.1	Very low	39.9	Very low	197 Å²	197	126.1 Å²	126.1	86%	0.857	71%	0.706	S	S	*	*			trans	-147.5	129.8	147.3	-106.4	154.8	-170.9	171.9	0	109.6	D414	K412-D414 PolarHBondContact O-N 3.1Å
413	E	50.4	Low	40.1	Very low	196 Å²	196	122.2 Å²	122.2	92%	0.916	70%	0.695	S	S	*	*			trans	-80.2	107.5	173.1	-69.9	176.6	101.4	0	0	109.4
414	D	35.8	Very low	40.5	Very low	148 Å²	148	123.4 Å²	123.4	79%	0.791	69%	0.694	S	S	*	*			trans	-123.3	100.1	159	-85	-59.7	0	0	0	107.4	K412 N416	K412-D414 PolarHBondContact O-N 3.1Å; D414-N416 PolarHBondContact O-N 3.42Å
415	G	42.9	Very low	41	Very low	68 Å²	68	123.1 Å²	123.1	70%	0.701	69%	0.689	S	S	*	*			trans	-73.7	119.9	-179.3	0	0	0	0	0	111.3	V417	G415-V417 PolarHBondContact O-N 3.41Å; G415-V417 VanDerWaalsContact O-N 3.1Å
416	N	51.1	Low	41.7	Very low	129 Å²	129	124.7 Å²	124.7	69%	0.69	69%	0.688	S	S	*	*			trans	-62.1	111.8	179.1	-80.4	-12.1	0	0	0	111.9	D414	D414-N416 PolarHBondContact O-N 3.42Å
417	V	45	Very low	42.2	Very low	85 Å²	85	126.6 Å²	126.6	52%	0.515	69%	0.688	S	S	.	*			trans	-109.6	100.1	177.4	174.7	0	0	0	0	109.8	Y196 G415	Y196-V417 HydrophobicContact CD1-CG1 3.44Å; Y196-V417 VanDerWaalsContact CD1-CG1 3.44Å; Y196-V417 HydrophobicContact CE1-CG1 3.85Å; Y196-V417 HydrophobicContact CG-CG1 4.32Å; G415-V417 PolarHBondContact O-N 3.41Å; G415-V417 VanDerWaalsContact O-N 3.1Å
418	I	58.6	Low	43	Very low	73 Å²	73	126.8 Å²	126.8	37%	0.374	68%	0.675	S	S	.	*			trans	-103.9	138.1	-174.5	-56.8	178.5	0	0	0	111.1	Y196 T256	Y196-I418 WeakPolarHBondContact CD1-O 2.97Å; T256-I418 HydrophobicContact CG2-CG2 4.45Å
419	T	41.5	Very low	43.7	Very low	80 Å²	80	121.3 Å²	121.3	49%	0.491	66%	0.656	S	S	.	*	B	Isolated β-bridge	trans	-88	131.7	-172.2	-55.5	0	0	0	0	112.7	P192 Y196	P192-T419 HydrophobicContact CB-CG2 4.29Å; Y196-T419 HydrophobicContact CE1-CG2 4.22Å; Y196-T419 WeakPolarHBondContact CE1-OG1 3.26Å; Y196-T419 HydrophobicContact CE2-CG2 4.46Å; Y196-T419 VanDerWaalsContact CZ-OG1 3.28Å; Y196-T419 WeakPolarHBondContact OH-CG2 3.12Å; Y196-T419 PolarHBondContact OH-OG1 2.7Å
420	L	54	Low	44.7	Very low	16 Å²	16	115.8 Å²	115.8	8%	0.084	64%	0.638	C	S	.	*			trans	-129.9	0	179.9	-63	174.8	0	0	0	114.3	P192 L193 G194 I197 T256 M259 V260	P192-L420 WeakPolarHBondContact CA-OXT 3.3Å; P192-L420 WeakPolarHBondContact CB-O 3.38Å; P192-L420 WeakPolarHBondContact CB-OXT 3.38Å; L193-L420 VanDerWaalsContact N-C 3.32Å; L193-L420 PolarHBondContact N-O 2.07Å; L193-L420 VanDerWaalsContact N-O 3.13Å; L193-L420 PolarHBondContact N-OXT 2.83Å; G194-L420 PolarHBondContact N-O 2.81Å; I197-L420 HydrophobicContact CD1-CD1 4.03Å; I197-L420 HydrophobicContact CG1-CD1 3.97Å; T256-L420 HydrophobicContact CG2-CD1 4.22Å; T256-L420 HydrophobicContact CG2-CD2 3.48Å; T256-L420 VanDerWaalsContact CG2-CD2 3.48Å; T256-L420 HydrophobicContact CG2-CG 4.28Å; M259-L420 HydrophobicContact SD-CD1 4.12Å; V260-L420 HydrophobicContact CG2-CD2 3.45Å; V260-L420 VanDerWaalsContact CG2-CD2 3.45Å

Retrieved 420 of 420 residues in 76.7 ms (Link to these results)

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