C4QB42_SCHMA Loading...

Heterogeneous nuclear ribonucleoprotein l (Hnrnp l), putative

AlphaFold DB , UniProt , Accession C4QB42, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 522 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.4	Very low	34.4	Very low	249 Å²	249	145.6 Å²	145.6	100%	1.227	88%	0.883	S	S	*	*				0	110.4	0	-69.8	164.9	157.9	0	0	105.9
2	S	39	Very low	34.7	Very low	124 Å²	124	154.2 Å²	154.2	87%	0.867	89%	0.887	S	S	*	*			cis	-156.2	128.4	7	37.4	0	0	0	0	104.6
3	D	31.6	Very low	34.8	Very low	160 Å²	160	150.5 Å²	150.5	86%	0.856	88%	0.876	S	S	*	*			trans	-123.1	139.2	174.9	-155.8	2.2	0	0	0	107.3
4	R	34.4	Very low	35.8	Very low	252 Å²	252	149.8 Å²	149.8	95%	0.951	85%	0.851	S	S	*	*			trans	132.8	130.4	178.3	-79.3	170.6	-155	-152.7	7.4	110.4
5	G	33.3	Very low	36.1	Very low	74 Å²	74	144.9 Å²	144.9	76%	0.763	83%	0.828	S	S	*	*			cis	-170.3	143.2	3.9	0	0	0	0	0	110.1
6	T	35.9	Very low	36.8	Very low	142 Å²	142	148.5 Å²	148.5	87%	0.871	84%	0.835	S	S	*	*			trans	-79.2	120.8	172.8	36.8	0	0	0	0	109.7	S8	T6-S8 PolarHBondContact O-N 3.41Å
7	G	30.7	Very low	37.2	Very low	85 Å²	85	149.2 Å²	149.2	88%	0.876	84%	0.836	S	S	*	*			trans	-70.3	106.1	176.3	0	0	0	0	0	111.4
8	S	36.7	Very low	37.9	Very low	113 Å²	113	151.1 Å²	151.1	79%	0.79	83%	0.828	S	S	*	*			trans	-90.1	118	162.2	-75.7	0	0	0	0	109.2	T6 C10	T6-S8 PolarHBondContact O-N 3.41Å; S8-C10 PolarHBondContact O-N 3.11Å; S8-C10 VanDerWaalsContact O-N 3.13Å
9	G	31.7	Very low	38.8	Very low	77 Å²	77	146.3 Å²	146.3	79%	0.794	82%	0.818	S	S	*	*			trans	-57.3	112.8	176.3	0	0	0	0	0	111.4	K11	G9-K11 PolarHBondContact O-N 3.49Å
10	C	34.9	Very low	39.9	Very low	123 Å²	123	148.8 Å²	148.8	83%	0.831	82%	0.823	S	S	*	*			trans	-59.9	101	173.6	-109.2	0	0	0	0	110.4	S8 R12	S8-C10 PolarHBondContact O-N 3.11Å; S8-C10 VanDerWaalsContact O-N 3.13Å; C10-R12 PolarHBondContact O-N 3.42Å
11	K	33	Very low	41.8	Very low	203 Å²	203	143.9 Å²	143.9	88%	0.883	80%	0.795	S	S	*	*			trans	-65.7	106.8	153.9	-76.3	178.2	178.3	173.8	0	106.2	G9 S13	G9-K11 PolarHBondContact O-N 3.49Å; K11-S13 VanDerWaalsContact C-N 3.27Å; K11-S13 PolarHBondContact O-N 3.46Å
12	R	38.4	Very low	44.1	Very low	248 Å²	248	137.7 Å²	137.7	94%	0.936	77%	0.767	S	S	*	*			trans	-63.8	90.7	173	-70.3	-177.4	-171.8	163.6	1.7	108.9	C10	C10-R12 PolarHBondContact O-N 3.42Å
13	S	35.9	Very low	46.5	Very low	106 Å²	106	134.8 Å²	134.8	74%	0.741	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-62.2	135.5	159	179.1	0	0	0	0	107.9	K11 P15	K11-S13 VanDerWaalsContact C-N 3.27Å; K11-S13 PolarHBondContact O-N 3.46Å; S13-P15 VanDerWaalsContact O-CD 3.23Å; S13-P15 WeakPolarHBondContact O-CD 3.4Å
14	R	48.1	Very low	49.5	Very low	141 Å²	141	127.1 Å²	127.1	53%	0.532	70%	0.704	S	S	.	*	P	Polyproline II helix	trans	-70.2	116.8	178.9	177.1	175.8	174.8	161.2	3	108.7	W18	R14-W18 PolarHBondContact NH2-O 3.33Å
15	P	40.6	Very low	52.3	Low	77 Å²	77	116.2 Å²	116.2	50%	0.5	67%	0.666	S	S	.	*	P	Polyproline II helix	trans	-63.5	148.2	162.7	-13	28.6	0	0	0	109.6	S13 D17	S13-P15 VanDerWaalsContact O-CD 3.23Å; S13-P15 WeakPolarHBondContact O-CD 3.4Å; P15-D17 PolarHBondContact O-N 3.33Å
16	E	46.5	Very low	55.3	Low	202 Å²	202	112.7 Å²	112.7	94%	0.944	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.2	-8	-178.5	-70.6	170.1	155.4	0	0	114.1
17	D	44.8	Very low	58.1	Low	160 Å²	160	106 Å²	106	86%	0.856	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.9	11.8	-171.8	-105.3	-12.2	0	0	0	116.7	P15 G19	P15-D17 PolarHBondContact O-N 3.33Å; D17-G19 PolarHBondContact O-N 3.2Å
18	W	49.1	Very low	61.2	Low	183 Å²	183	103.4 Å²	103.4	69%	0.693	55%	0.553	S	S	*	*			trans	-80.4	104.5	168.1	-68.7	75	0	0	0	108.4	R14	R14-W18 PolarHBondContact NH2-O 3.33Å
19	G	54.7	Low	64	Low	61 Å²	61	98 Å²	98	63%	0.629	52%	0.516	S	S	*	.			trans	-53.2	-177.5	175.6	0	0	0	0	0	114.4	D17 I21	D17-G19 PolarHBondContact O-N 3.2Å; G19-I21 PolarHBondContact O-N 3.13Å
20	E	62.1	Low	66.9	Low	196 Å²	196	97.4 Å²	97.4	92%	0.916	49%	0.489	S	S	*	.	S	Bend	trans	-48.6	124.1	-178.8	-70.5	-177.5	166.9	0	0	110.8	D22	E20-D22 PolarHBondContact O-N 3.09Å
21	I	79.3	Confident	69.7	Low	45 Å²	45	93.8 Å²	93.8	23%	0.231	47%	0.472	C	S	.	.	P	Polyproline II helix	trans	-68.6	125.6	-178.8	-61.8	172.2	0	0	0	107.6	G19 F94 T96	G19-I21 PolarHBondContact O-N 3.13Å; I21-F94 HydrophobicContact CB-CB 4.18Å; I21-F94 WeakPolarHBondContact CD1-O 3.47Å; I21-F94 HydrophobicContact CG2-CB 3.76Å; I21-T96 HydrophobicContact CG2-CG2 4.47Å
22	D	85.1	Confident	72.4	Confident	120 Å²	120	84.4 Å²	84.4	64%	0.642	43%	0.432	S	S	*	.	P	Polyproline II helix	trans	-50.7	138.7	178	-66.1	-30.4	0	0	0	112	E20 S24	E20-D22 PolarHBondContact O-N 3.09Å; D22-S24 PolarHBondContact O-N 2.82Å
23	P	90.4	Very high	74.8	Confident	62 Å²	62	73.9 Å²	73.9	40%	0.403	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-48.2	135.3	176.6	-29.8	35.6	0	0	0	112.7	I70 F94 K98	P23-I70 HydrophobicContact CB-CD1 3.95Å; P23-F94 HydrophobicContact CB-CE1 4.27Å; P23-F94 HydrophobicContact CB-CE2 4.18Å; P23-F94 HydrophobicContact CB-CZ 3.97Å; P23-F94 HydrophobicContact CG-CE2 4.24Å; P23-F94 HydrophobicContact CG-CZ 4.44Å; P23-K98 PolarHBondContact O-NZ 3.26Å
24	S	93	Very high	76.9	Confident	0 Å²	0	77.7 Å²	77.7	0%	0	39%	0.394	C	S	.	.			trans	-141.4	142.6	-176.7	-177.2	0	0	0	0	109.7	D22 V26 A73 F94 S95 S97	D22-S24 PolarHBondContact O-N 2.82Å; S24-V26 PolarHBondContact O-N 2.86Å; S24-V26 VanDerWaalsContact O-N 3.16Å; S24-V26 PolarHBondContact OG-N 3.21Å; S24-A73 WeakPolarHBondContact O-CB 3.36Å; S24-F94 VanDerWaalsContact O-CD1 3.25Å; S24-F94 WeakPolarHBondContact O-CD1 3.29Å; S24-F94 WeakPolarHBondContact O-CE1 3.15Å; S24-S95 WeakPolarHBondContact CB-O 3.47Å; S24-S97 PolarHBondContact OG-O 2.95Å
25	P	93.9	Very high	78.3	Confident	23 Å²	23	74.6 Å²	74.6	15%	0.149	39%	0.385	C	S	.	.	S	Bend	trans	-64.8	-13.8	169.8	30.7	-37.7	0	0	0	112.2	F67 I70 K98	P25-F67 PolarHBondContact O-N 3.07Å; P25-I70 HydrophobicContact CB-CB 4.41Å; P25-K98 VanDerWaalsContact CG-O 3.24Å; P25-K98 WeakPolarHBondContact CG-O 3.4Å
26	V	95.5	Very high	80.7	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	127	175.5	-171	0	0	0	0	110.5	S24 L64 V65 E66 S95 S97 I100	S24-V26 PolarHBondContact O-N 2.86Å; S24-V26 VanDerWaalsContact O-N 3.16Å; S24-V26 PolarHBondContact OG-N 3.21Å; V26-L64 HydrophobicContact CG1-CB 4.17Å; V26-L64 HydrophobicContact CG1-CD2 4.41Å; V26-V65 CarbonylContact C-O 3.5Å; V26-V65 VanDerWaalsContact CA-O 3.32Å; V26-V65 WeakPolarHBondContact CA-O 3.4Å; V26-E66 HydrophobicContact CG2-CB 4.02Å; V26-E66 HydrophobicContact CG2-CG 3.95Å; V26-S95 WeakPolarHBondContact O-CB 3.49Å; V26-S95 PolarHBondContact O-N 3.29Å; V26-S97 WeakPolarHBondContact CB-O 3.29Å; V26-I100 HydrophobicContact CG1-CD1 4.31Å; V26-I100 HydrophobicContact CG1-CG1 3.86Å; V26-I100 HydrophobicContact CG2-CG1 4.32Å
27	V	95.4	Very high	82.9	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	138.5	179.1	177.9	0	0	0	0	110.1	L64 V65 F67 A73 L76 I92	V27-L64 WeakPolarHBondContact O-CA 3.33Å; V27-V65 PolarHBondContact N-O 3.41Å; V27-V65 PolarHBondContact O-N 3.22Å; V27-F67 HydrophobicContact CG2-CD2 4.29Å; V27-F67 HydrophobicContact CG2-CE2 4.09Å; V27-A73 HydrophobicContact CG2-CB 3.58Å; V27-L76 HydrophobicContact CG1-CD2 4.21Å; V27-I92 HydrophobicContact CG1-CG2 3.2Å
28	H	95.3	Very high	85.3	Confident	32 Å²	32	55.8 Å²	55.8	15%	0.148	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	115.6	174.2	-168.9	175	0	0	0	110.4	R30 Q62 A63 L64 S93	H28-R30 PolarHBondContact ND1-NH2 3.06Å; H28-Q62 PolarHBondContact NE2-OE1 2.87Å; H28-Q62 VanDerWaalsContact NE2-OE1 3.09Å; H28-A63 PolarHBondContact CD2-O 3.45Å; H28-L64 HydrophobicContact CB-CD2 3.85Å; H28-S93 PolarHBondContact N-O 2.97Å; H28-S93 PolarHBondContact O-N 2.85Å; H28-S93 VanDerWaalsContact O-N 3.12Å
29	V	95.3	Very high	87.4	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	127.9	176.7	-168.7	0	0	0	0	109.3	L32 F45 Q62 A63 V65 I85 V90 Q91	V29-L32 HydrophobicContact CG1-CD2 3.76Å; V29-L32 HydrophobicContact CG1-CG 4.17Å; V29-F45 HydrophobicContact CG1-CZ 4.45Å; V29-F45 HydrophobicContact CG2-CE2 3.65Å; V29-F45 HydrophobicContact CG2-CZ 4.01Å; V29-Q62 WeakPolarHBondContact O-CA 3.47Å; V29-Q62 WeakPolarHBondContact O-CB 3.27Å; V29-A63 HydrophobicContact CB-CB 4.37Å; V29-A63 PolarHBondContact N-O 3.47Å; V29-A63 PolarHBondContact O-N 3.47Å; V29-V65 HydrophobicContact CG2-CG2 4.09Å; V29-I85 HydrophobicContact CG1-CD1 4.27Å; V29-V90 HydrophobicContact CG1-CB 4.05Å; V29-V90 HydrophobicContact CG1-CG1 4.41Å; V29-V90 HydrophobicContact CG1-CG2 4.21Å; V29-Q91 WeakPolarHBondContact CA-O 3.37Å
30	R	94.5	Very high	89.3	Confident	64 Å²	64	48.9 Å²	48.9	24%	0.242	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	150	176.7	-50.4	-176	-175.5	88.1	7.5	111	H28 Q62 Q91 S93	H28-R30 PolarHBondContact ND1-NH2 3.06Å; R30-Q62 HydrophobicContact CB-CG 4.26Å; R30-Q62 HydrophobicContact CG-CG 4.11Å; R30-Q91 HydrophobicContact CB-CB 4.26Å; R30-Q91 PolarHBondContact N-O 2.78Å; R30-Q91 PolarHBondContact O-N 3.24Å; R30-S93 PolarHBondContact NH1-OG 2.78Å; R30-S93 PolarHBondContact NH2-OG 2.79Å
31	G	92.1	Very high	90.9	Very high	46 Å²	46	39.6 Å²	39.6	47%	0.474	20%	0.203	S	C	.	.	S	Bend	trans	82.2	29.2	179.2	0	0	0	0	0	113.2	K61	G31-K61 PolarHBondContact N-O 3.38Å; G31-K61 VanDerWaalsContact N-O 3.08Å
32	L	91.2	Very high	91.6	Very high	7 Å²	7	39 Å²	39	4%	0.037	20%	0.201	C	C	.	.			trans	-58.8	140.4	176	-73.6	177.3	0	0	0	111.5	V29 V41 M56 K61 Q62 A63 I85 V90	V29-L32 HydrophobicContact CG1-CD2 3.76Å; V29-L32 HydrophobicContact CG1-CG 4.17Å; L32-V41 HydrophobicContact CD1-CG2 4.49Å; L32-V41 HydrophobicContact CD2-CG2 4.17Å; L32-M56 HydrophobicContact CD1-CE 4.03Å; L32-K61 HydrophobicContact CB-CB 4.46Å; L32-K61 PolarHBondContact N-O 2.59Å; L32-K61 WeakPolarHBondContact O-CB 3.23Å; L32-Q62 VanDerWaalsContact CD1-C 3.41Å; L32-A63 HydrophobicContact CD1-CB 3.71Å; L32-I85 HydrophobicContact CD2-CD1 3.58Å; L32-V90 HydrophobicContact CD2-CG1 4.32Å
33	P	88.6	Confident	92	Very high	26 Å²	26	39.1 Å²	39.1	17%	0.169	20%	0.196	C	C	.	.			trans	-53.7	148.5	169.9	-26.7	35.6	0	0	0	112.1	H35 S36 L86	P33-H35 PolarHBondContact O-N 2.78Å; P33-S36 PolarHBondContact O-N 2.79Å; P33-S36 VanDerWaalsContact O-N 3.17Å; P33-S36 PolarHBondContact O-OG 3.36Å; P33-S36 VanDerWaalsContact O-OG 3.07Å; P33-L86 HydrophobicContact CG-CB 4.39Å
34	R	78.6	Confident	92.1	Very high	187 Å²	187	37.3 Å²	37.3	71%	0.706	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-14.9	-178	-88	-175.3	168.9	166.8	-0.1	115
35	H	79.3	Confident	92.2	Very high	76 Å²	76	37.3 Å²	37.3	35%	0.352	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.5	15.4	-177.2	-49.8	-60.1	0	0	0	112.6	P33 V37 D183	P33-H35 PolarHBondContact O-N 2.78Å; H35-V37 PolarHBondContact O-N 2.89Å; H35-D183 IonicContact CE1-OD2 3.07Å; H35-D183 IonicContact ND1-OD2 2.87Å
36	S	89.4	Confident	92.2	Very high	8 Å²	8	41.9 Å²	41.9	6%	0.056	21%	0.206	C	C	.	.			trans	-71.4	125.8	174.7	61.6	0	0	0	0	109.7	P33 D40	P33-S36 PolarHBondContact O-N 2.79Å; P33-S36 VanDerWaalsContact O-N 3.17Å; P33-S36 PolarHBondContact O-OG 3.36Å; P33-S36 VanDerWaalsContact O-OG 3.07Å; S36-D40 WeakPolarHBondContact CA-OD2 3.41Å
37	V	93.7	Very high	92	Very high	19 Å²	19	46.6 Å²	46.6	12%	0.115	24%	0.239	C	C	.	.			trans	-96.2	169.3	170.7	-65.3	0	0	0	0	110.6	H35 F39 D40 V41 N180 A182	H35-V37 PolarHBondContact O-N 2.89Å; V37-F39 HydrophobicContact CG2-CB 3.81Å; V37-F39 PolarHBondContact O-N 2.99Å; V37-D40 VanDerWaalsContact CG2-OD2 3.24Å; V37-D40 WeakPolarHBondContact CG2-OD2 3.49Å; V37-D40 PolarHBondContact N-OD2 3.16Å; V37-D40 WeakPolarHBondContact O-CB 3.47Å; V37-D40 PolarHBondContact O-N 3Å; V37-V41 PolarHBondContact O-N 3.48Å; V37-N180 CarbonylContact C-O 3.45Å; V37-N180 VanDerWaalsContact CA-O 3.26Å; V37-N180 WeakPolarHBondContact CA-O 3.49Å; V37-A182 HydrophobicContact CG1-CB 3.78Å
38	E	94.3	Very high	91.9	Very high	16 Å²	16	49.7 Å²	49.7	8%	0.075	25%	0.251	C	S	.	.	H	α-helix	trans	-53.1	-38.3	175.1	-177.9	175.8	152.4	0	0	112.1	D40 V41 V42 V54 M56 K176 L177 N180	E38-D40 VanDerWaalsContact C-N 3.29Å; E38-D40 PolarHBondContact O-N 3.34Å; E38-V41 PolarHBondContact O-N 3.42Å; E38-V41 VanDerWaalsContact O-N 3.15Å; E38-V42 HydrophobicContact CG-CG2 4.26Å; E38-V42 WeakPolarHBondContact O-CG2 3.47Å; E38-V42 PolarHBondContact O-N 3.27Å; E38-V54 HydrophobicContact CG-CB 3.99Å; E38-V54 HydrophobicContact CG-CG1 3.96Å; E38-M56 HydrophobicContact CB-CG 4.01Å; E38-M56 HydrophobicContact CB-SD 4.33Å; E38-K176 IonicContact OE1-NZ 3.24Å; E38-K176 PolarHBondContact OE1-NZ 2.88Å; E38-K176 IonicContact OE2-NZ 3.76Å; E38-K176 PolarHBondContact OE2-NZ 3.44Å; E38-L177 HydrophobicContact CG-CD1 4.19Å; E38-N180 HydrophobicContact CB-CB 3.9Å; E38-N180 PolarHBondContact N-O 3.03Å; E38-N180 WeakPolarHBondContact OE2-CB 3.35Å; E38-N180 PolarHBondContact OE2-ND2 3.09Å
39	F	94.3	Very high	91.8	Very high	72 Å²	72	49 Å²	49	32%	0.316	25%	0.253	S	S	.	.	H	α-helix	trans	-53.3	-43.2	173.5	-179.6	-98.4	0	0	0	113.1	V37 V41 V42 K43 L177 H178	V37-F39 HydrophobicContact CG2-CB 3.81Å; V37-F39 PolarHBondContact O-N 2.99Å; F39-V41 VanDerWaalsContact C-N 3.32Å; F39-V41 PolarHBondContact O-N 3.49Å; F39-V42 PolarHBondContact O-N 2.84Å; F39-K43 HydrophobicContact CE1-CD 3.84Å; F39-K43 HydrophobicContact CZ-CD 4.13Å; F39-K43 WeakPolarHBondContact O-CB 3.28Å; F39-K43 PolarHBondContact O-N 3.27Å; F39-L177 HydrophobicContact CB-CD1 4.25Å; F39-L177 HydrophobicContact CB-CG 4Å; F39-L177 WeakPolarHBondContact CB-O 3.25Å; F39-L177 HydrophobicContact CD2-CD1 4.46Å; F39-L177 HydrophobicContact CD2-CD2 3.84Å; F39-L177 HydrophobicContact CD2-CG 3.92Å; F39-L177 HydrophobicContact CG-CG 4.48Å; F39-L177 PolarHBondContact N-O 2.99Å; F39-H178 AromaticContact CD2-NE2 3.96Å
40	D	94.1	Very high	91.7	Very high	28 Å²	28	57.5 Å²	57.5	15%	0.15	29%	0.285	C	S	.	.	H	α-helix	trans	-68.7	-35.2	-178.4	-58.3	-51.4	0	0	0	111.6	S36 V37 E38 A44 I85 L86	S36-D40 WeakPolarHBondContact CA-OD2 3.41Å; V37-D40 VanDerWaalsContact CG2-OD2 3.24Å; V37-D40 WeakPolarHBondContact CG2-OD2 3.49Å; V37-D40 PolarHBondContact N-OD2 3.16Å; V37-D40 WeakPolarHBondContact O-CB 3.47Å; V37-D40 PolarHBondContact O-N 3Å; E38-D40 VanDerWaalsContact C-N 3.29Å; E38-D40 PolarHBondContact O-N 3.34Å; D40-A44 VanDerWaalsContact O-CB 3.28Å; D40-A44 WeakPolarHBondContact O-CB 3.15Å; D40-A44 PolarHBondContact O-N 3.22Å; D40-A44 VanDerWaalsContact O-N 3.07Å; D40-I85 HydrophobicContact CB-CG2 4.01Å; D40-L86 HydrophobicContact CB-CD1 4.37Å; D40-L86 HydrophobicContact CB-CD2 4.42Å; D40-L86 HydrophobicContact CB-CG 4.19Å
41	V	94.9	Very high	91.7	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-68.5	-47.8	175.7	-179.8	0	0	0	0	110.2	L32 V37 E38 F39 A44 F45 V54 M56 V65 I85	L32-V41 HydrophobicContact CD1-CG2 4.49Å; L32-V41 HydrophobicContact CD2-CG2 4.17Å; V37-V41 PolarHBondContact O-N 3.48Å; E38-V41 PolarHBondContact O-N 3.42Å; E38-V41 VanDerWaalsContact O-N 3.15Å; F39-V41 VanDerWaalsContact C-N 3.32Å; F39-V41 PolarHBondContact O-N 3.49Å; V41-A44 PolarHBondContact O-N 2.92Å; V41-F45 HydrophobicContact CG1-CD2 3.82Å; V41-F45 HydrophobicContact CG1-CE2 3.71Å; V41-F45 WeakPolarHBondContact O-CD2 3.27Å; V41-F45 PolarHBondContact O-N 2.93Å; V41-V54 HydrophobicContact CG1-CG1 4.27Å; V41-M56 HydrophobicContact CG2-CE 4.03Å; V41-M56 HydrophobicContact CG2-SD 3.9Å; V41-V65 HydrophobicContact CG1-CG2 3.56Å; V41-I85 HydrophobicContact CG2-CD1 4.25Å
42	V	94.7	Very high	91.6	Very high	32 Å²	32	59.6 Å²	59.6	19%	0.194	28%	0.281	C	S	.	.	H	α-helix	trans	-59.7	-50.5	177.8	170.3	0	0	0	0	110.3	E38 F39 A44 F45 E46 I51 V54 L177	E38-V42 HydrophobicContact CG-CG2 4.26Å; E38-V42 WeakPolarHBondContact O-CG2 3.47Å; E38-V42 PolarHBondContact O-N 3.27Å; F39-V42 PolarHBondContact O-N 2.84Å; V42-A44 VanDerWaalsContact C-N 3.26Å; V42-A44 PolarHBondContact O-N 3.26Å; V42-F45 PolarHBondContact O-N 3.46Å; V42-E46 WeakPolarHBondContact O-CB 3.38Å; V42-E46 PolarHBondContact O-N 2.86Å; V42-I51 HydrophobicContact CB-CD1 4.38Å; V42-I51 HydrophobicContact CG1-CD1 4.27Å; V42-I51 HydrophobicContact CG2-CD1 4.44Å; V42-V54 HydrophobicContact CG2-CG2 3.95Å; V42-L177 HydrophobicContact CB-CD1 4.24Å; V42-L177 HydrophobicContact CG2-CD1 3.91Å
43	K	93.5	Very high	91.6	Very high	124 Å²	124	60.7 Å²	60.7	54%	0.539	29%	0.287	S	S	.	.	H	α-helix	trans	-60.6	-33.8	179.5	-175.2	176.5	-179	179.7	0	113.2	F39 F45	F39-K43 HydrophobicContact CE1-CD 3.84Å; F39-K43 HydrophobicContact CZ-CD 4.13Å; F39-K43 WeakPolarHBondContact O-CB 3.28Å; F39-K43 PolarHBondContact O-N 3.27Å; K43-F45 VanDerWaalsContact C-N 3.31Å
44	A	92.8	Very high	91.8	Very high	24 Å²	24	59.6 Å²	59.6	20%	0.198	28%	0.28	C	S	.	.	H	α-helix	trans	-71.2	-27.9	178	0	0	0	0	0	112.8	D40 V41 V42 I85	D40-A44 VanDerWaalsContact O-CB 3.28Å; D40-A44 WeakPolarHBondContact O-CB 3.15Å; D40-A44 PolarHBondContact O-N 3.22Å; D40-A44 VanDerWaalsContact O-N 3.07Å; V41-A44 PolarHBondContact O-N 2.92Å; V42-A44 VanDerWaalsContact C-N 3.26Å; V42-A44 PolarHBondContact O-N 3.26Å; A44-I85 HydrophobicContact CB-CD1 4.37Å; A44-I85 HydrophobicContact CB-CG1 3.77Å
45	F	94.6	Very high	92.5	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-114.8	-12.3	-169	-60.6	-24.5	0	0	0	114.8	V29 V41 V42 K43 S47 Y48 I51 V65 F67 L76 V83 I85 I92	V29-F45 HydrophobicContact CG1-CZ 4.45Å; V29-F45 HydrophobicContact CG2-CE2 3.65Å; V29-F45 HydrophobicContact CG2-CZ 4.01Å; V41-F45 HydrophobicContact CG1-CD2 3.82Å; V41-F45 HydrophobicContact CG1-CE2 3.71Å; V41-F45 WeakPolarHBondContact O-CD2 3.27Å; V41-F45 PolarHBondContact O-N 2.93Å; V42-F45 PolarHBondContact O-N 3.46Å; K43-F45 VanDerWaalsContact C-N 3.31Å; F45-S47 PolarHBondContact O-N 3.32Å; F45-S47 VanDerWaalsContact O-N 3.11Å; F45-Y48 PolarHBondContact O-N 3.32Å; F45-I51 HydrophobicContact CB-CD1 3.85Å; F45-V65 HydrophobicContact CD2-CB 4.45Å; F45-V65 HydrophobicContact CD2-CG1 4.19Å; F45-V65 HydrophobicContact CD2-CG2 3.92Å; F45-V65 HydrophobicContact CE2-CG2 3.96Å; F45-F67 HydrophobicContact CB-CE1 4.48Å; F45-F67 HydrophobicContact CB-CZ 4.03Å; F45-L76 HydrophobicContact CD1-CD1 3.76Å; F45-L76 HydrophobicContact CD1-CD2 3.94Å; F45-L76 HydrophobicContact CD2-CD2 4.3Å; F45-L76 HydrophobicContact CE1-CD1 3.88Å; F45-L76 HydrophobicContact CE1-CD2 4.11Å; F45-L76 HydrophobicContact CE2-CD2 4.41Å; F45-L76 HydrophobicContact CG-CD2 4.06Å; F45-L76 HydrophobicContact CZ-CD2 4.31Å; F45-V83 HydrophobicContact CE1-CG1 3.72Å; F45-I85 HydrophobicContact CE1-CD1 4.32Å; F45-I85 HydrophobicContact CE2-CD1 4.22Å; F45-I85 HydrophobicContact CZ-CD1 3.72Å; F45-I85 HydrophobicContact CZ-CG1 4.37Å; F45-I92 HydrophobicContact CE1-CD1 4.06Å; F45-I92 HydrophobicContact CZ-CD1 4.01Å
46	E	93.4	Very high	93.1	Very high	119 Å²	119	48.3 Å²	48.3	56%	0.556	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-24.2	179.5	66	-177.7	166.6	0	0	113.4	V42 Y48	V42-E46 WeakPolarHBondContact O-CB 3.38Å; V42-E46 PolarHBondContact O-N 2.86Å; E46-Y48 VanDerWaalsContact C-N 3.31Å; E46-Y48 PolarHBondContact O-N 3.01Å
47	S	92.4	Very high	93.3	Very high	98 Å²	98	49.8 Å²	49.8	69%	0.685	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-19.2	176.9	59.1	0	0	0	0	114.1	F45	F45-S47 PolarHBondContact O-N 3.32Å; F45-S47 VanDerWaalsContact O-N 3.11Å
48	Y	93.6	Very high	92.9	Very high	65 Å²	65	50.2 Å²	50.2	26%	0.255	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-29	179	-66.5	-94.9	0	0	0	112.1	F45 E46 S72 A75 L76 R79	F45-Y48 PolarHBondContact O-N 3.32Å; E46-Y48 VanDerWaalsContact C-N 3.31Å; E46-Y48 PolarHBondContact O-N 3.01Å; Y48-S72 WeakPolarHBondContact O-CB 3.5Å; Y48-S72 PolarHBondContact O-OG 2.92Å; Y48-A75 HydrophobicContact CD1-CB 4.26Å; Y48-L76 HydrophobicContact CD1-CB 3.98Å; Y48-L76 HydrophobicContact CD1-CD1 4.17Å; Y48-L76 HydrophobicContact CD2-CD1 3.92Å; Y48-L76 HydrophobicContact CE1-CB 4.31Å; Y48-L76 HydrophobicContact CE1-CD1 3.91Å; Y48-L76 HydrophobicContact CE2-CD1 3.64Å; Y48-L76 HydrophobicContact CG-CB 4.24Å; Y48-L76 HydrophobicContact CG-CD1 4.17Å; Y48-R79 HydrophobicContact CE1-CG 3.91Å
49	G	92.5	Very high	92.5	Very high	19 Å²	19	54.3 Å²	54.3	20%	0.196	27%	0.265	C	S	.	.	S	Bend	trans	166.7	175.6	179.5	0	0	0	0	0	112.6	I51 S72	G49-I51 PolarHBondContact O-N 3.3Å; G49-S72 WeakPolarHBondContact CA-OG 3.36Å
50	R	93.8	Very high	92.3	Very high	177 Å²	177	57.4 Å²	57.4	67%	0.668	28%	0.279	S	S	*	.			trans	-72.1	122.2	-178.8	-172.9	160.4	171.7	-138.3	5.7	110.5	E68	R50-E68 HydrophobicContact CB-CB 4.45Å; R50-E68 HydrophobicContact CB-CG 4.22Å; R50-E68 VanDerWaalsContact CD-CD 3.47Å; R50-E68 WeakPolarHBondContact CD-OE1 3.36Å; R50-E68 VanDerWaalsContact CD-OE2 3.23Å; R50-E68 WeakPolarHBondContact CD-OE2 3.18Å; R50-E68 HydrophobicContact CG-CG 4.06Å; R50-E68 IonicContact CZ-OE1 3.63Å; R50-E68 IonicContact CZ-OE2 3.9Å; R50-E68 IonicContact NE-OE1 3.4Å; R50-E68 PolarHBondContact NE-OE1 3.5Å; R50-E68 VanDerWaalsContact NE-OE1 3.12Å; R50-E68 IonicContact NE-OE2 3.04Å; R50-E68 VanDerWaalsContact NH1-CD 3.32Å; R50-E68 IonicContact NH1-OE1 3.18Å; R50-E68 PolarHBondContact NH1-OE1 3.09Å; R50-E68 IonicContact NH1-OE2 3.97Å; R50-E68 PolarHBondContact NH1-OE2 3.03Å; R50-E68 IonicContact NH2-OE1 3.41Å; R50-E68 PolarHBondContact O-N 3.2Å
51	I	93.2	Very high	92.2	Very high	34 Å²	34	60.3 Å²	60.3	17%	0.174	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	127.5	178	-59.1	169.8	0	0	0	108.5	V42 F45 G49 V54 V65 F67	V42-I51 HydrophobicContact CB-CD1 4.38Å; V42-I51 HydrophobicContact CG1-CD1 4.27Å; V42-I51 HydrophobicContact CG2-CD1 4.44Å; F45-I51 HydrophobicContact CB-CD1 3.85Å; G49-I51 PolarHBondContact O-N 3.3Å; I51-V54 HydrophobicContact CG2-CG2 3.63Å; I51-V65 HydrophobicContact CD1-CG1 4.32Å; I51-V65 HydrophobicContact CG1-CG1 4.23Å; I51-V65 HydrophobicContact CG2-CG1 3.87Å; I51-F67 HydrophobicContact CG1-CD1 4.14Å; I51-F67 HydrophobicContact CG1-CE1 3.86Å
52	R	91.1	Very high	92.2	Very high	120 Å²	120	62.4 Å²	62.4	45%	0.453	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	-46.7	179	-177.7	176.4	176.2	-168.3	8.9	112.5	E66 E68 H99	R52-E66 HydrophobicContact CB-CB 4.49Å; R52-E66 HydrophobicContact CB-CG 4.19Å; R52-E66 WeakPolarHBondContact CD-OE1 3.34Å; R52-E66 IonicContact CZ-OE1 2.86Å; R52-E66 PolarHBondContact N-O 3.23Å; R52-E66 IonicContact NE-OE1 3.89Å; R52-E66 IonicContact NH1-OE1 3.94Å; R52-E66 PolarHBondContact NH1-OE1 2.58Å; R52-E68 HydrophobicContact CB-CG 4.09Å; R52-H99 PolarHBondContact NH1-ND1 3.08Å
53	D	90.4	Very high	92.2	Very high	30 Å²	30	60.9 Å²	60.9	16%	0.16	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	154	178	-162.5	10.9	0	0	0	111.4	E66 I100 Q102	D53-E66 PolarHBondContact N-O 3.49Å; D53-E66 PolarHBondContact O-N 2.77Å; D53-I100 HydrophobicContact CB-CD1 4.34Å; D53-I100 WeakPolarHBondContact O-CD1 3.14Å; D53-Q102 PolarHBondContact OD2-NE2 3.36Å
54	V	92.6	Very high	92.3	Very high	4 Å²	4	56.4 Å²	56.4	2%	0.024	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	126.9	175.3	-177.7	0	0	0	0	109.3	E38 V41 V42 I51 M56 L64 V65	E38-V54 HydrophobicContact CG-CB 3.99Å; E38-V54 HydrophobicContact CG-CG1 3.96Å; V41-V54 HydrophobicContact CG1-CG1 4.27Å; V42-V54 HydrophobicContact CG2-CG2 3.95Å; I51-V54 HydrophobicContact CG2-CG2 3.63Å; V54-M56 HydrophobicContact CG1-CG 4.49Å; V54-M56 HydrophobicContact CG1-SD 4.03Å; V54-L64 WeakPolarHBondContact CA-O 3.2Å; V54-V65 HydrophobicContact CG1-CG2 4.38Å; V54-V65 HydrophobicContact CG2-CG1 4.39Å; V54-V65 HydrophobicContact CG2-CG2 4.42Å
55	T	93.4	Very high	92.5	Very high	22 Å²	22	55.2 Å²	55.2	14%	0.135	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	111.6	170.4	-69	0	0	0	0	110.2	A63 L64 I100	T55-A63 CarbonylContact O-C 3.59Å; T55-A63 VanDerWaalsContact O-CA 3.28Å; T55-A63 WeakPolarHBondContact O-CA 3.45Å; T55-L64 PolarHBondContact N-O 3.19Å; T55-L64 PolarHBondContact O-N 3.45Å; T55-I100 WeakPolarHBondContact OG1-CG2 3.47Å
56	M	92.9	Very high	92.5	Very high	3 Å²	3	55.5 Å²	55.5	2%	0.015	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	140.5	172.8	-60.6	-60.6	-76.3	0	0	111.1	L32 E38 V41 V54 P58 A63 N180 K192	L32-M56 HydrophobicContact CD1-CE 4.03Å; E38-M56 HydrophobicContact CB-CG 4.01Å; E38-M56 HydrophobicContact CB-SD 4.33Å; V41-M56 HydrophobicContact CG2-CE 4.03Å; V41-M56 HydrophobicContact CG2-SD 3.9Å; V54-M56 HydrophobicContact CG1-CG 4.49Å; V54-M56 HydrophobicContact CG1-SD 4.03Å; M56-P58 HydrophobicContact CB-CG 4.33Å; M56-A63 HydrophobicContact SD-CB 3.82Å; M56-N180 HydrophobicContact CG-CB 4.31Å; M56-N180 WeakPolarHBondContact CG-ND2 3.22Å; M56-K192 VanDerWaalsContact O-CE 3.29Å; M56-K192 WeakPolarHBondContact O-CE 3.35Å
57	M	92.6	Very high	92.6	Very high	40 Å²	40	49.9 Å²	49.9	20%	0.197	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	72.5	170.5	-64.2	165.9	-78.9	0	0	109.2	Q59 K60 K61 Q62 L64	M57-Q59 VanDerWaalsContact C-N 3.33Å; M57-Q59 PolarHBondContact O-N 2.79Å; M57-K60 HydrophobicContact CB-CB 4.37Å; M57-K60 PolarHBondContact O-N 3.32Å; M57-K61 PolarHBondContact O-N 2.7Å; M57-Q62 CarbonylContact C-O 3.48Å; M57-Q62 WeakPolarHBondContact CA-O 3.47Å; M57-Q62 HydrophobicContact CB-CB 4.26Å; M57-Q62 WeakPolarHBondContact CB-O 3.18Å; M57-Q62 HydrophobicContact CE-CB 3.79Å; M57-Q62 PolarHBondContact N-O 2.92Å; M57-Q62 PolarHBondContact O-N 2.96Å; M57-L64 HydrophobicContact CE-CD2 4.49Å; M57-L64 HydrophobicContact CE-CG 3.86Å
58	P	86.4	Confident	92.6	Very high	27 Å²	27	50.1 Å²	50.1	18%	0.175	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-59.2	-41.8	-168.4	-24	34.8	0	0	0	113.1	M56 K60 K61 T190	M56-P58 HydrophobicContact CB-CG 4.33Å; P58-K60 PolarHBondContact O-N 2.67Å; P58-K61 PolarHBondContact O-N 3.24Å; P58-T190 HydrophobicContact CB-CG2 3.48Å; P58-T190 VanDerWaalsContact CB-CG2 3.48Å; P58-T190 HydrophobicContact CG-CG2 4.19Å
59	Q	85.9	Confident	92.6	Very high	102 Å²	102	51.1 Å²	51.1	48%	0.477	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-54.1	-28.4	175.3	-68.2	-96	-68.7	0	0	113.9	M57 Y128 D129	M57-Q59 VanDerWaalsContact C-N 3.33Å; M57-Q59 PolarHBondContact O-N 2.79Å; Q59-Y128 VanDerWaalsContact CD-CD1 3.46Å; Q59-Y128 VanDerWaalsContact CD-CG 3.47Å; Q59-Y128 HydrophobicContact CG-CD1 3.55Å; Q59-Y128 HydrophobicContact CG-CD2 3.6Å; Q59-Y128 HydrophobicContact CG-CE1 3.88Å; Q59-Y128 HydrophobicContact CG-CE2 3.89Å; Q59-Y128 HydrophobicContact CG-CG 3.41Å; Q59-Y128 VanDerWaalsContact CG-CG 3.41Å; Q59-D129 PolarHBondContact NE2-OD1 2.99Å; Q59-D129 VanDerWaalsContact NE2-OD1 3.1Å; Q59-D129 PolarHBondContact NE2-OD2 3.35Å
60	K	90	Very high	92.7	Very high	138 Å²	138	53.1 Å²	53.1	60%	0.6	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-101.7	-3	179.1	-64.3	-176.5	-178.9	177	0	113.1	M57 P58 Q62	M57-K60 HydrophobicContact CB-CB 4.37Å; M57-K60 PolarHBondContact O-N 3.32Å; P58-K60 PolarHBondContact O-N 2.67Å; K60-Q62 VanDerWaalsContact C-N 3.27Å; K60-Q62 HydrophobicContact CB-CB 4.14Å; K60-Q62 HydrophobicContact CB-CG 4.07Å; K60-Q62 WeakPolarHBondContact O-CG 3.36Å; K60-Q62 PolarHBondContact O-N 3.39Å
61	K	91	Very high	92.7	Very high	89 Å²	89	47.7 Å²	47.7	39%	0.387	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	46.5	-169	-57	-178.2	-177.6	-177.1	0	111.8	G31 L32 M57 P58	G31-K61 PolarHBondContact N-O 3.38Å; G31-K61 VanDerWaalsContact N-O 3.08Å; L32-K61 HydrophobicContact CB-CB 4.46Å; L32-K61 PolarHBondContact N-O 2.59Å; L32-K61 WeakPolarHBondContact O-CB 3.23Å; M57-K61 PolarHBondContact O-N 2.7Å; P58-K61 PolarHBondContact O-N 3.24Å
62	Q	95	Very high	92.9	Very high	43 Å²	43	46.8 Å²	46.8	20%	0.201	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	157.6	-174.9	-72.2	172.2	12.4	0	0	111.2	H28 V29 R30 L32 M57 K60	H28-Q62 PolarHBondContact NE2-OE1 2.87Å; H28-Q62 VanDerWaalsContact NE2-OE1 3.09Å; V29-Q62 WeakPolarHBondContact O-CA 3.47Å; V29-Q62 WeakPolarHBondContact O-CB 3.27Å; R30-Q62 HydrophobicContact CB-CG 4.26Å; R30-Q62 HydrophobicContact CG-CG 4.11Å; L32-Q62 VanDerWaalsContact CD1-C 3.41Å; M57-Q62 CarbonylContact C-O 3.48Å; M57-Q62 WeakPolarHBondContact CA-O 3.47Å; M57-Q62 HydrophobicContact CB-CB 4.26Å; M57-Q62 WeakPolarHBondContact CB-O 3.18Å; M57-Q62 HydrophobicContact CE-CB 3.79Å; M57-Q62 PolarHBondContact N-O 2.92Å; M57-Q62 PolarHBondContact O-N 2.96Å; K60-Q62 VanDerWaalsContact C-N 3.27Å; K60-Q62 HydrophobicContact CB-CB 4.14Å; K60-Q62 HydrophobicContact CB-CG 4.07Å; K60-Q62 WeakPolarHBondContact O-CG 3.36Å; K60-Q62 PolarHBondContact O-N 3.39Å
63	A	95.5	Very high	93	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	156.7	167.5	0	0	0	0	0	111	H28 V29 L32 T55 M56	H28-A63 PolarHBondContact CD2-O 3.45Å; V29-A63 HydrophobicContact CB-CB 4.37Å; V29-A63 PolarHBondContact N-O 3.47Å; V29-A63 PolarHBondContact O-N 3.47Å; L32-A63 HydrophobicContact CD1-CB 3.71Å; T55-A63 CarbonylContact O-C 3.59Å; T55-A63 VanDerWaalsContact O-CA 3.28Å; T55-A63 WeakPolarHBondContact O-CA 3.45Å; M56-A63 HydrophobicContact SD-CB 3.82Å
64	L	95.9	Very high	93.2	Very high	30 Å²	30	43.1 Å²	43.1	16%	0.157	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	136.2	162.6	-64.4	176.8	0	0	0	108.4	V26 V27 H28 V54 T55 M57 I100	V26-L64 HydrophobicContact CG1-CB 4.17Å; V26-L64 HydrophobicContact CG1-CD2 4.41Å; V27-L64 WeakPolarHBondContact O-CA 3.33Å; H28-L64 HydrophobicContact CB-CD2 3.85Å; V54-L64 WeakPolarHBondContact CA-O 3.2Å; T55-L64 PolarHBondContact N-O 3.19Å; T55-L64 PolarHBondContact O-N 3.45Å; M57-L64 HydrophobicContact CE-CD2 4.49Å; M57-L64 HydrophobicContact CE-CG 3.86Å; L64-I100 HydrophobicContact CB-CD1 3.86Å; L64-I100 HydrophobicContact CB-CG1 4.15Å
65	V	95.8	Very high	93.2	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	120.2	179.2	-178.8	0	0	0	0	108	V26 V27 V29 V41 F45 I51 V54 F67	V26-V65 CarbonylContact C-O 3.5Å; V26-V65 VanDerWaalsContact CA-O 3.32Å; V26-V65 WeakPolarHBondContact CA-O 3.4Å; V27-V65 PolarHBondContact N-O 3.41Å; V27-V65 PolarHBondContact O-N 3.22Å; V29-V65 HydrophobicContact CG2-CG2 4.09Å; V41-V65 HydrophobicContact CG1-CG2 3.56Å; F45-V65 HydrophobicContact CD2-CB 4.45Å; F45-V65 HydrophobicContact CD2-CG1 4.19Å; F45-V65 HydrophobicContact CD2-CG2 3.92Å; F45-V65 HydrophobicContact CE2-CG2 3.96Å; I51-V65 HydrophobicContact CD1-CG1 4.32Å; I51-V65 HydrophobicContact CG1-CG1 4.23Å; I51-V65 HydrophobicContact CG2-CG1 3.87Å; V54-V65 HydrophobicContact CG1-CG2 4.38Å; V54-V65 HydrophobicContact CG2-CG1 4.39Å; V54-V65 HydrophobicContact CG2-CG2 4.42Å; V65-F67 HydrophobicContact CG1-CD2 4.5Å; V65-F67 HydrophobicContact CG1-CE2 4.09Å; V65-F67 HydrophobicContact CG1-CZ 4.29Å
66	E	95.1	Very high	93.2	Very high	5 Å²	5	43.6 Å²	43.6	2%	0.023	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	123.3	174.6	-177.4	172.7	165.2	0	0	109.4	V26 R52 D53 H99 I100	V26-E66 HydrophobicContact CG2-CB 4.02Å; V26-E66 HydrophobicContact CG2-CG 3.95Å; R52-E66 HydrophobicContact CB-CB 4.49Å; R52-E66 HydrophobicContact CB-CG 4.19Å; R52-E66 WeakPolarHBondContact CD-OE1 3.34Å; R52-E66 IonicContact CZ-OE1 2.86Å; R52-E66 PolarHBondContact N-O 3.23Å; R52-E66 IonicContact NE-OE1 3.89Å; R52-E66 IonicContact NH1-OE1 3.94Å; R52-E66 PolarHBondContact NH1-OE1 2.58Å; D53-E66 PolarHBondContact N-O 3.49Å; D53-E66 PolarHBondContact O-N 2.77Å; E66-H99 IonicContact OE1-CE1 3.19Å; E66-H99 IonicContact OE1-CG 3.19Å; E66-H99 IonicContact OE1-ND1 2.63Å; E66-H99 PolarHBondContact OE1-ND1 3.34Å; E66-H99 WeakPolarHBondContact OE2-CA 3.07Å; E66-I100 HydrophobicContact CB-CD1 3.74Å; E66-I100 HydrophobicContact CB-CG1 3.99Å; E66-I100 PolarHBondContact OE2-N 2.94Å
67	F	95.5	Very high	93.2	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.009	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	153.9	169.6	-70.1	-84.8	0	0	0	111.1	P25 V27 F45 I51 V65 D69 A73 L76	P25-F67 PolarHBondContact O-N 3.07Å; V27-F67 HydrophobicContact CG2-CD2 4.29Å; V27-F67 HydrophobicContact CG2-CE2 4.09Å; F45-F67 HydrophobicContact CB-CE1 4.48Å; F45-F67 HydrophobicContact CB-CZ 4.03Å; I51-F67 HydrophobicContact CG1-CD1 4.14Å; I51-F67 HydrophobicContact CG1-CE1 3.86Å; V65-F67 HydrophobicContact CG1-CD2 4.5Å; V65-F67 HydrophobicContact CG1-CE2 4.09Å; V65-F67 HydrophobicContact CG1-CZ 4.29Å; F67-D69 VanDerWaalsContact C-N 3.29Å; F67-D69 WeakPolarHBondContact CB-O 3.36Å; F67-A73 HydrophobicContact CD2-CB 3.9Å; F67-A73 HydrophobicContact CE2-CB 4.46Å; F67-L76 HydrophobicContact CE2-CD2 3.87Å; F67-L76 HydrophobicContact CZ-CD2 3.92Å
68	E	92.4	Very high	93.1	Very high	102 Å²	102	51.2 Å²	51.2	48%	0.477	26%	0.259	S	S	.	.	S	Bend	trans	-65.7	-35.1	169.5	-71.1	-169.2	172.1	0	0	111.8	R50 R52	R50-E68 HydrophobicContact CB-CB 4.45Å; R50-E68 HydrophobicContact CB-CG 4.22Å; R50-E68 VanDerWaalsContact CD-CD 3.47Å; R50-E68 WeakPolarHBondContact CD-OE1 3.36Å; R50-E68 VanDerWaalsContact CD-OE2 3.23Å; R50-E68 WeakPolarHBondContact CD-OE2 3.18Å; R50-E68 HydrophobicContact CG-CG 4.06Å; R50-E68 IonicContact CZ-OE1 3.63Å; R50-E68 IonicContact CZ-OE2 3.9Å; R50-E68 IonicContact NE-OE1 3.4Å; R50-E68 PolarHBondContact NE-OE1 3.5Å; R50-E68 VanDerWaalsContact NE-OE1 3.12Å; R50-E68 IonicContact NE-OE2 3.04Å; R50-E68 VanDerWaalsContact NH1-CD 3.32Å; R50-E68 IonicContact NH1-OE1 3.18Å; R50-E68 PolarHBondContact NH1-OE1 3.09Å; R50-E68 IonicContact NH1-OE2 3.97Å; R50-E68 PolarHBondContact NH1-OE2 3.03Å; R50-E68 IonicContact NH2-OE1 3.41Å; R50-E68 PolarHBondContact O-N 3.2Å; R52-E68 HydrophobicContact CB-CG 4.09Å
69	D	92.9	Very high	93.2	Very high	86 Å²	86	57 Å²	57	46%	0.46	28%	0.277	S	S	.	.	S	Bend	trans	-118.5	132.7	179.4	-168.1	-13.2	0	0	0	110.8	F67 S71 S72	F67-D69 VanDerWaalsContact C-N 3.29Å; F67-D69 WeakPolarHBondContact CB-O 3.36Å; D69-S71 PolarHBondContact O-N 3.27Å; D69-S71 PolarHBondContact OD1-N 3.23Å; D69-S72 WeakPolarHBondContact O-CB 3.44Å; D69-S72 PolarHBondContact O-N 2.87Å; D69-S72 VanDerWaalsContact O-N 3.15Å
70	I	94.3	Very high	93.2	Very high	61 Å²	61	55.1 Å²	55.1	31%	0.313	27%	0.27	S	S	.	.	H	α-helix	trans	-61.5	-31.9	175.8	-169.5	167.5	0	0	0	112.1	P23 P25 S72 A73 E74	P23-I70 HydrophobicContact CB-CD1 3.95Å; P25-I70 HydrophobicContact CB-CB 4.41Å; I70-S72 PolarHBondContact O-N 2.88Å; I70-A73 WeakPolarHBondContact O-CA 3.47Å; I70-A73 WeakPolarHBondContact O-CB 3.04Å; I70-A73 PolarHBondContact O-N 3.44Å; I70-E74 PolarHBondContact O-N 2.97Å
71	S	95.4	Very high	92.9	Very high	64 Å²	64	53 Å²	53	45%	0.448	27%	0.27	S	S	.	.	H	α-helix	trans	-63.5	-26.9	177.7	-64.3	0	0	0	0	112.6	D69 A75	D69-S71 PolarHBondContact O-N 3.27Å; D69-S71 PolarHBondContact OD1-N 3.23Å; S71-A75 WeakPolarHBondContact O-CB 3.3Å; S71-A75 PolarHBondContact O-N 3.25Å
72	S	95.7	Very high	92.7	Very high	15 Å²	15	55.6 Å²	55.6	11%	0.105	28%	0.284	C	S	.	.	H	α-helix	trans	-68.7	-38.6	172.6	-53.3	0	0	0	0	111.7	Y48 G49 D69 I70 L76	Y48-S72 WeakPolarHBondContact O-CB 3.5Å; Y48-S72 PolarHBondContact O-OG 2.92Å; G49-S72 WeakPolarHBondContact CA-OG 3.36Å; D69-S72 WeakPolarHBondContact O-CB 3.44Å; D69-S72 PolarHBondContact O-N 2.87Å; D69-S72 VanDerWaalsContact O-N 3.15Å; I70-S72 PolarHBondContact O-N 2.88Å; S72-L76 PolarHBondContact O-N 2.93Å
73	A	94.6	Very high	92.5	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-67.6	-40.9	175.4	0	0	0	0	0	111.6	S24 V27 F67 I70 L76 I77 F94	S24-A73 WeakPolarHBondContact O-CB 3.36Å; V27-A73 HydrophobicContact CG2-CB 3.58Å; F67-A73 HydrophobicContact CD2-CB 3.9Å; F67-A73 HydrophobicContact CE2-CB 4.46Å; I70-A73 WeakPolarHBondContact O-CA 3.47Å; I70-A73 WeakPolarHBondContact O-CB 3.04Å; I70-A73 PolarHBondContact O-N 3.44Å; A73-L76 PolarHBondContact O-N 3.22Å; A73-I77 WeakPolarHBondContact O-CG1 3.49Å; A73-I77 PolarHBondContact O-N 3.47Å; A73-F94 HydrophobicContact CB-CE1 4.1Å
74	E	94.3	Very high	92.2	Very high	72 Å²	72	59.8 Å²	59.8	34%	0.336	30%	0.302	S	S	.	.	H	α-helix	trans	-60.4	-49.1	175.2	-70.8	171.3	159.2	0	0	111.5	I70 L76 I77 E78 F94	I70-E74 PolarHBondContact O-N 2.97Å; E74-L76 PolarHBondContact O-N 2.79Å; E74-I77 WeakPolarHBondContact O-CB 3.19Å; E74-I77 PolarHBondContact O-N 3.09Å; E74-E78 PolarHBondContact O-N 2.78Å; E74-F94 HydrophobicContact CG-CE1 4.41Å; E74-F94 HydrophobicContact CG-CZ 3.89Å
75	A	93.4	Very high	92	Very high	36 Å²	36	58.4 Å²	58.4	30%	0.298	30%	0.295	S	S	.	.	H	α-helix	trans	-59.4	-34.2	177.2	0	0	0	0	0	113	Y48 S71	Y48-A75 HydrophobicContact CD1-CB 4.26Å; S71-A75 WeakPolarHBondContact O-CB 3.3Å; S71-A75 PolarHBondContact O-N 3.25Å
76	L	93.3	Very high	91.6	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-70.7	-38.9	175.2	-178.8	62.6	0	0	0	112.1	V27 F45 Y48 F67 S72 A73 E74 R79 V83 I92	V27-L76 HydrophobicContact CG1-CD2 4.21Å; F45-L76 HydrophobicContact CD1-CD1 3.76Å; F45-L76 HydrophobicContact CD1-CD2 3.94Å; F45-L76 HydrophobicContact CD2-CD2 4.3Å; F45-L76 HydrophobicContact CE1-CD1 3.88Å; F45-L76 HydrophobicContact CE1-CD2 4.11Å; F45-L76 HydrophobicContact CE2-CD2 4.41Å; F45-L76 HydrophobicContact CG-CD2 4.06Å; F45-L76 HydrophobicContact CZ-CD2 4.31Å; Y48-L76 HydrophobicContact CD1-CB 3.98Å; Y48-L76 HydrophobicContact CD1-CD1 4.17Å; Y48-L76 HydrophobicContact CD2-CD1 3.92Å; Y48-L76 HydrophobicContact CE1-CB 4.31Å; Y48-L76 HydrophobicContact CE1-CD1 3.91Å; Y48-L76 HydrophobicContact CE2-CD1 3.64Å; Y48-L76 HydrophobicContact CG-CB 4.24Å; Y48-L76 HydrophobicContact CG-CD1 4.17Å; F67-L76 HydrophobicContact CE2-CD2 3.87Å; F67-L76 HydrophobicContact CZ-CD2 3.92Å; S72-L76 PolarHBondContact O-N 2.93Å; A73-L76 PolarHBondContact O-N 3.22Å; E74-L76 PolarHBondContact O-N 2.79Å; L76-R79 PolarHBondContact O-N 3.1Å; L76-V83 HydrophobicContact CD1-CG1 4.21Å; L76-V83 HydrophobicContact CD1-CG2 4.17Å; L76-I92 HydrophobicContact CD1-CD1 3.86Å; L76-I92 HydrophobicContact CD2-CD1 4.14Å; L76-I92 HydrophobicContact CD2-CG2 4.39Å; L76-I92 HydrophobicContact CG-CD1 3.9Å; L76-I92 HydrophobicContact CG-CG2 4.28Å
77	I	91.9	Very high	91.1	Very high	42 Å²	42	69.8 Å²	69.8	22%	0.215	36%	0.356	C	S	.	.	H	α-helix	trans	-65.9	-39.6	178.1	-63.8	-104.1	0	0	0	110.7	A73 E74 R79 N80 I92 S93 F94	A73-I77 WeakPolarHBondContact O-CG1 3.49Å; A73-I77 PolarHBondContact O-N 3.47Å; E74-I77 WeakPolarHBondContact O-CB 3.19Å; E74-I77 PolarHBondContact O-N 3.09Å; I77-R79 PolarHBondContact O-N 3.08Å; I77-R79 VanDerWaalsContact O-N 3.16Å; I77-N80 VanDerWaalsContact O-CB 3.23Å; I77-N80 WeakPolarHBondContact O-CB 3.41Å; I77-N80 PolarHBondContact O-N 2.78Å; I77-I92 HydrophobicContact CD1-CG2 4.27Å; I77-S93 VanDerWaalsContact CD1-C 3.43Å; I77-F94 HydrophobicContact CB-CE2 4.41Å; I77-F94 HydrophobicContact CB-CZ 4.28Å; I77-F94 HydrophobicContact CD1-CB 4.46Å; I77-F94 HydrophobicContact CD1-CD1 3.9Å; I77-F94 HydrophobicContact CD1-CD2 3.76Å; I77-F94 HydrophobicContact CD1-CE1 4.03Å; I77-F94 HydrophobicContact CD1-CE2 3.87Å; I77-F94 HydrophobicContact CD1-CG 3.77Å; I77-F94 HydrophobicContact CD1-CZ 4.01Å; I77-F94 HydrophobicContact CG1-CD1 4.2Å; I77-F94 HydrophobicContact CG1-CD2 4.35Å; I77-F94 HydrophobicContact CG1-CE1 3.82Å; I77-F94 HydrophobicContact CG1-CE2 3.96Å; I77-F94 HydrophobicContact CG1-CG 4.45Å; I77-F94 HydrophobicContact CG1-CZ 3.68Å; I77-F94 HydrophobicContact CG2-CE2 4.2Å
78	E	91.1	Very high	90.8	Very high	162 Å²	162	72.1 Å²	72.1	76%	0.757	37%	0.372	S	S	*	.	H	α-helix	trans	-60.4	-24.4	178	-73.5	-179.5	176	0	0	113.4	E74	E74-E78 PolarHBondContact O-N 2.78Å
79	R	89	Confident	90.8	Very high	149 Å²	149	72.6 Å²	72.6	56%	0.562	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-7.7	176.7	-65.2	-63.6	-172.1	158.1	-0.7	113.8	Y48 L76 I77 E82 V83	Y48-R79 HydrophobicContact CE1-CG 3.91Å; L76-R79 PolarHBondContact O-N 3.1Å; I77-R79 PolarHBondContact O-N 3.08Å; I77-R79 VanDerWaalsContact O-N 3.16Å; R79-E82 WeakPolarHBondContact O-CB 3.39Å; R79-E82 PolarHBondContact O-N 2.87Å; R79-V83 HydrophobicContact CB-CG2 3.75Å
80	N	85.3	Confident	90.8	Very high	62 Å²	62	68.8 Å²	68.8	33%	0.332	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	134.4	178	-177.2	71.1	0	0	0	110.2	I77 I92	I77-N80 VanDerWaalsContact O-CB 3.23Å; I77-N80 WeakPolarHBondContact O-CB 3.41Å; I77-N80 PolarHBondContact O-N 2.78Å; N80-I92 HydrophobicContact CB-CB 4.31Å; N80-I92 PolarHBondContact OD1-N 2.85Å; N80-I92 VanDerWaalsContact OD1-N 3.1Å
81	P	84.5	Confident	90.8	Very high	92 Å²	92	72 Å²	72	60%	0.597	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	cis	-99.9	18	12.8	39.6	-36.5	0	0	0	115.6	V83 L89	P81-V83 PolarHBondContact O-N 3.01Å; P81-L89 WeakPolarHBondContact O-CD2 3.13Å
82	E	86.5	Confident	90.7	Very high	145 Å²	145	69.2 Å²	69.2	68%	0.678	35%	0.351	S	S	*	.	S	Bend	trans	-76	-7.8	-174.7	-57.8	-173.4	162.7	0	0	113.9	R79	R79-E82 WeakPolarHBondContact O-CB 3.39Å; R79-E82 PolarHBondContact O-N 2.87Å
83	V	89.3	Confident	90.6	Very high	10 Å²	10	69.6 Å²	69.6	6%	0.061	35%	0.354	C	S	.	.			trans	-70.8	132.1	-173.5	-172.6	0	0	0	0	111.4	F45 L76 R79 P81 V90 I92	F45-V83 HydrophobicContact CE1-CG1 3.72Å; L76-V83 HydrophobicContact CD1-CG1 4.21Å; L76-V83 HydrophobicContact CD1-CG2 4.17Å; R79-V83 HydrophobicContact CB-CG2 3.75Å; P81-V83 PolarHBondContact O-N 3.01Å; V83-V90 HydrophobicContact CB-CG2 4.32Å; V83-V90 HydrophobicContact CG1-CG2 4.12Å; V83-V90 PolarHBondContact O-N 2.93Å; V83-V90 VanDerWaalsContact O-N 3.08Å; V83-I92 HydrophobicContact CB-CD1 3.65Å; V83-I92 HydrophobicContact CG1-CD1 3.56Å; V83-I92 HydrophobicContact CG2-CD1 3.83Å
84	K	91.2	Very high	90.5	Very high	120 Å²	120	70.9 Å²	70.9	52%	0.522	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	140.3	-178.1	-66.4	177.4	-174.7	176.7	0	111.8	S88 L89	K84-S88 CarbonylContact C-O 3.5Å; K84-S88 WeakPolarHBondContact CA-O 3.46Å; K84-L89 HydrophobicContact CD-CD2 4.36Å; K84-L89 HydrophobicContact CG-CD2 3.77Å; K84-L89 HydrophobicContact CG-CG 4.31Å
85	I	90.8	Very high	90.4	Very high	2 Å²	2	67.8 Å²	67.8	1%	0.01	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	126.8	166.5	-62.5	179.4	0	0	0	107.1	V29 L32 D40 V41 A44 F45 N87 S88 V90	V29-I85 HydrophobicContact CG1-CD1 4.27Å; L32-I85 HydrophobicContact CD2-CD1 3.58Å; D40-I85 HydrophobicContact CB-CG2 4.01Å; V41-I85 HydrophobicContact CG2-CD1 4.25Å; A44-I85 HydrophobicContact CB-CD1 4.37Å; A44-I85 HydrophobicContact CB-CG1 3.77Å; F45-I85 HydrophobicContact CE1-CD1 4.32Å; F45-I85 HydrophobicContact CE2-CD1 4.22Å; F45-I85 HydrophobicContact CZ-CD1 3.72Å; F45-I85 HydrophobicContact CZ-CG1 4.37Å; I85-N87 PolarHBondContact O-N 2.81Å; I85-S88 PolarHBondContact N-O 2.86Å; I85-S88 PolarHBondContact O-N 3.4Å; I85-V90 HydrophobicContact CB-CG1 4.19Å; I85-V90 HydrophobicContact CD1-CG1 4.23Å; I85-V90 HydrophobicContact CD1-CG2 4.32Å; I85-V90 HydrophobicContact CG1-CG1 4.21Å; I85-V90 HydrophobicContact CG1-CG2 4.23Å
86	L	87.2	Confident	90.2	Very high	93 Å²	93	71.9 Å²	71.9	49%	0.487	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.5	45.2	-174.8	-60.7	174.1	0	0	0	112.7	P33 D40 S88	P33-L86 HydrophobicContact CG-CB 4.39Å; D40-L86 HydrophobicContact CB-CD1 4.37Å; D40-L86 HydrophobicContact CB-CD2 4.42Å; D40-L86 HydrophobicContact CB-CG 4.19Å; L86-S88 PolarHBondContact O-N 3.04Å; L86-S88 VanDerWaalsContact O-N 3.08Å
87	N	85.7	Confident	89.9	Confident	150 Å²	150	74.3 Å²	74.3	80%	0.802	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	62	5.5	-175.7	-67.6	-6.1	0	0	0	116.6	I85	I85-N87 PolarHBondContact O-N 2.81Å
88	S	89.2	Confident	89.6	Confident	52 Å²	52	77 Å²	77	36%	0.364	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	134.9	174.4	-58.1	0	0	0	0	110.5	K84 I85 L86	K84-S88 CarbonylContact C-O 3.5Å; K84-S88 WeakPolarHBondContact CA-O 3.46Å; I85-S88 PolarHBondContact N-O 2.86Å; I85-S88 PolarHBondContact O-N 3.4Å; L86-S88 PolarHBondContact O-N 3.04Å; L86-S88 VanDerWaalsContact O-N 3.08Å
89	L	91.6	Very high	89.4	Confident	112 Å²	112	74 Å²	74	59%	0.586	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.8	135.8	175.3	-69.9	166	0	0	0	110.2	P81 K84	P81-L89 WeakPolarHBondContact O-CD2 3.13Å; K84-L89 HydrophobicContact CD-CD2 4.36Å; K84-L89 HydrophobicContact CG-CD2 3.77Å; K84-L89 HydrophobicContact CG-CG 4.31Å
90	V	93.6	Very high	89.2	Confident	5 Å²	5	67.9 Å²	67.9	3%	0.03	36%	0.358	C	S	.	.			trans	-120.6	150.7	175.6	-64.4	0	0	0	0	110	V29 L32 V83 I85 I92	V29-V90 HydrophobicContact CG1-CB 4.05Å; V29-V90 HydrophobicContact CG1-CG1 4.41Å; V29-V90 HydrophobicContact CG1-CG2 4.21Å; L32-V90 HydrophobicContact CD2-CG1 4.32Å; V83-V90 HydrophobicContact CB-CG2 4.32Å; V83-V90 HydrophobicContact CG1-CG2 4.12Å; V83-V90 PolarHBondContact O-N 2.93Å; V83-V90 VanDerWaalsContact O-N 3.08Å; I85-V90 HydrophobicContact CB-CG1 4.19Å; I85-V90 HydrophobicContact CD1-CG1 4.23Å; I85-V90 HydrophobicContact CD1-CG2 4.32Å; I85-V90 HydrophobicContact CG1-CG1 4.21Å; I85-V90 HydrophobicContact CG1-CG2 4.23Å; V90-I92 HydrophobicContact CG2-CD1 4.22Å; V90-I92 HydrophobicContact CG2-CG1 4.14Å
91	Q	92.8	Very high	88.5	Confident	128 Å²	128	69.3 Å²	69.3	60%	0.598	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.8	130.8	173.9	-69.8	-179.1	-9	0	0	109.9	V29 R30	V29-Q91 WeakPolarHBondContact CA-O 3.37Å; R30-Q91 HydrophobicContact CB-CB 4.26Å; R30-Q91 PolarHBondContact N-O 2.78Å; R30-Q91 PolarHBondContact O-N 3.24Å
92	I	93.3	Very high	87.3	Confident	7 Å²	7	68.7 Å²	68.7	4%	0.036	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	133.8	-176.8	-57.7	-168.6	0	0	0	109.4	V27 F45 L76 I77 N80 V83 V90	V27-I92 HydrophobicContact CG1-CG2 3.2Å; F45-I92 HydrophobicContact CE1-CD1 4.06Å; F45-I92 HydrophobicContact CZ-CD1 4.01Å; L76-I92 HydrophobicContact CD1-CD1 3.86Å; L76-I92 HydrophobicContact CD2-CD1 4.14Å; L76-I92 HydrophobicContact CD2-CG2 4.39Å; L76-I92 HydrophobicContact CG-CD1 3.9Å; L76-I92 HydrophobicContact CG-CG2 4.28Å; I77-I92 HydrophobicContact CD1-CG2 4.27Å; N80-I92 HydrophobicContact CB-CB 4.31Å; N80-I92 PolarHBondContact OD1-N 2.85Å; N80-I92 VanDerWaalsContact OD1-N 3.1Å; V83-I92 HydrophobicContact CB-CD1 3.65Å; V83-I92 HydrophobicContact CG1-CD1 3.56Å; V83-I92 HydrophobicContact CG2-CD1 3.83Å; V90-I92 HydrophobicContact CG2-CD1 4.22Å; V90-I92 HydrophobicContact CG2-CG1 4.14Å
93	S	93.3	Very high	85.4	Confident	23 Å²	23	72.4 Å²	72.4	16%	0.161	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	159	171.9	68.7	0	0	0	0	110.5	H28 R30 I77	H28-S93 PolarHBondContact N-O 2.97Å; H28-S93 PolarHBondContact O-N 2.85Å; H28-S93 VanDerWaalsContact O-N 3.12Å; R30-S93 PolarHBondContact NH1-OG 2.78Å; R30-S93 PolarHBondContact NH2-OG 2.79Å; I77-S93 VanDerWaalsContact CD1-C 3.43Å
94	F	94.3	Very high	83.2	Confident	26 Å²	26	74.1 Å²	74.1	11%	0.114	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	144.3	168	-70.9	-63.1	0	0	0	110.6	I21 P23 S24 A73 E74 I77	I21-F94 HydrophobicContact CB-CB 4.18Å; I21-F94 WeakPolarHBondContact CD1-O 3.47Å; I21-F94 HydrophobicContact CG2-CB 3.76Å; P23-F94 HydrophobicContact CB-CE1 4.27Å; P23-F94 HydrophobicContact CB-CE2 4.18Å; P23-F94 HydrophobicContact CB-CZ 3.97Å; P23-F94 HydrophobicContact CG-CE2 4.24Å; P23-F94 HydrophobicContact CG-CZ 4.44Å; S24-F94 VanDerWaalsContact O-CD1 3.25Å; S24-F94 WeakPolarHBondContact O-CD1 3.29Å; S24-F94 WeakPolarHBondContact O-CE1 3.15Å; A73-F94 HydrophobicContact CB-CE1 4.1Å; E74-F94 HydrophobicContact CG-CE1 4.41Å; E74-F94 HydrophobicContact CG-CZ 3.89Å; I77-F94 HydrophobicContact CB-CE2 4.41Å; I77-F94 HydrophobicContact CB-CZ 4.28Å; I77-F94 HydrophobicContact CD1-CB 4.46Å; I77-F94 HydrophobicContact CD1-CD1 3.9Å; I77-F94 HydrophobicContact CD1-CD2 3.76Å; I77-F94 HydrophobicContact CD1-CE1 4.03Å; I77-F94 HydrophobicContact CD1-CE2 3.87Å; I77-F94 HydrophobicContact CD1-CG 3.77Å; I77-F94 HydrophobicContact CD1-CZ 4.01Å; I77-F94 HydrophobicContact CG1-CD1 4.2Å; I77-F94 HydrophobicContact CG1-CD2 4.35Å; I77-F94 HydrophobicContact CG1-CE1 3.82Å; I77-F94 HydrophobicContact CG1-CE2 3.96Å; I77-F94 HydrophobicContact CG1-CG 4.45Å; I77-F94 HydrophobicContact CG1-CZ 3.68Å; I77-F94 HydrophobicContact CG2-CE2 4.2Å
95	S	92.2	Very high	80.5	Confident	7 Å²	7	72.3 Å²	72.3	5%	0.049	39%	0.389	C	S	.	.			trans	-84.6	148.2	170.6	-175.7	0	0	0	0	109.8	S24 V26 S97	S24-S95 WeakPolarHBondContact CB-O 3.47Å; V26-S95 WeakPolarHBondContact O-CB 3.49Å; V26-S95 PolarHBondContact O-N 3.29Å; S95-S97 PolarHBondContact O-N 2.82Å; S95-S97 PolarHBondContact OG-N 3.41Å
96	T	88.9	Confident	77.7	Confident	122 Å²	122	79.3 Å²	79.3	75%	0.748	43%	0.426	S	S	*	.	S	Bend	trans	-69.8	-14.3	170.9	56.1	0	0	0	0	112.7	I21	I21-T96 HydrophobicContact CG2-CG2 4.47Å
97	S	86	Confident	75.5	Confident	51 Å²	51	86.2 Å²	86.2	36%	0.357	45%	0.446	S	S	.	.			trans	-89.6	138.5	176.6	-55.4	0	0	0	0	110.1	S24 V26 S95	S24-S97 PolarHBondContact OG-O 2.95Å; V26-S97 WeakPolarHBondContact CB-O 3.29Å; S95-S97 PolarHBondContact O-N 2.82Å; S95-S97 PolarHBondContact OG-N 3.41Å
98	K	85.6	Confident	72.8	Confident	99 Å²	99	84.6 Å²	84.6	43%	0.43	44%	0.441	S	S	.	.	S	Bend	trans	-87.1	-16	174.2	-59.5	-57.3	-172.5	-171.5	0	113.6	P23 P25	P23-K98 PolarHBondContact O-NZ 3.26Å; P25-K98 VanDerWaalsContact CG-O 3.24Å; P25-K98 WeakPolarHBondContact CG-O 3.4Å
99	H	86.7	Confident	70	Confident	99 Å²	99	87.8 Å²	87.8	46%	0.458	46%	0.46	S	S	.	.	S	Bend	trans	-145.3	150.6	172.2	-66.3	-66.8	0	0	0	109.6	R52 E66 V101	R52-H99 PolarHBondContact NH1-ND1 3.08Å; E66-H99 IonicContact OE1-CE1 3.19Å; E66-H99 IonicContact OE1-CG 3.19Å; E66-H99 IonicContact OE1-ND1 2.63Å; E66-H99 PolarHBondContact OE1-ND1 3.34Å; E66-H99 WeakPolarHBondContact OE2-CA 3.07Å; H99-V101 PolarHBondContact O-N 3.09Å; H99-V101 VanDerWaalsContact O-N 3.13Å
100	I	84.4	Confident	67.3	Low	20 Å²	20	88.6 Å²	88.6	10%	0.103	47%	0.47	C	S	.	.			trans	-74.7	100.7	169.5	-68.3	176.4	0	0	0	107.6	V26 D53 T55 L64 E66 Q102	V26-I100 HydrophobicContact CG1-CD1 4.31Å; V26-I100 HydrophobicContact CG1-CG1 3.86Å; V26-I100 HydrophobicContact CG2-CG1 4.32Å; D53-I100 HydrophobicContact CB-CD1 4.34Å; D53-I100 WeakPolarHBondContact O-CD1 3.14Å; T55-I100 WeakPolarHBondContact OG1-CG2 3.47Å; L64-I100 HydrophobicContact CB-CD1 3.86Å; L64-I100 HydrophobicContact CB-CG1 4.15Å; E66-I100 HydrophobicContact CB-CD1 3.74Å; E66-I100 HydrophobicContact CB-CG1 3.99Å; E66-I100 PolarHBondContact OE2-N 2.94Å; I100-Q102 PolarHBondContact O-N 3.39Å
101	V	70.7	Confident	64.3	Low	92 Å²	92	95.4 Å²	95.4	56%	0.558	51%	0.507	S	S	*	.			trans	-84	107.8	171.3	-173.3	0	0	0	0	107.5	H99 R103	H99-V101 PolarHBondContact O-N 3.09Å; H99-V101 VanDerWaalsContact O-N 3.13Å; V101-R103 HydrophobicContact CB-CG 4.42Å; V101-R103 HydrophobicContact CG1-CG 3.93Å; V101-R103 PolarHBondContact O-N 3.46Å
102	Q	59.3	Low	61.4	Low	80 Å²	80	98 Å²	98	37%	0.374	52%	0.519	S	S	.	.			trans	-65.8	82	169	-69	-178.6	8.1	0	0	109.2	D53 I100 A104	D53-Q102 PolarHBondContact OD2-NE2 3.36Å; I100-Q102 PolarHBondContact O-N 3.39Å; Q102-A104 PolarHBondContact O-N 3.4Å
103	R	46.9	Very low	58.4	Low	223 Å²	223	106.6 Å²	106.6	84%	0.842	56%	0.559	S	S	*	*			trans	-72.8	78.7	174.4	-72.3	-175.1	-179.3	151.2	1.4	108.9	V101 A105	V101-R103 HydrophobicContact CB-CG 4.42Å; V101-R103 HydrophobicContact CG1-CG 3.93Å; V101-R103 PolarHBondContact O-N 3.46Å; R103-A105 PolarHBondContact O-N 2.81Å
104	A	42.7	Very low	55.3	Low	46 Å²	46	110.4 Å²	110.4	38%	0.38	59%	0.585	S	S	.	*			trans	-63.5	131.5	158.9	0	0	0	0	0	108	Q102 N106 R197	Q102-A104 PolarHBondContact O-N 3.4Å; A104-N106 PolarHBondContact O-N 3.46Å; A104-R197 VanDerWaalsContact C-NH2 3.27Å; A104-R197 HydrophobicContact CB-CG 4.49Å; A104-R197 VanDerWaalsContact CB-NE 3.3Å; A104-R197 PolarHBondContact O-NH2 3.06Å
105	A	35.4	Very low	52.5	Low	82 Å²	82	113.6 Å²	113.6	68%	0.678	61%	0.611	S	S	*	*	S	Bend	trans	-53.3	137.1	-173.1	0	0	0	0	0	112	R103 R197	R103-A105 PolarHBondContact O-N 2.81Å; A105-R197 PolarHBondContact O-NH1 3.29Å
106	N	32.1	Very low	50	Low	148 Å²	148	121.1 Å²	121.1	79%	0.791	65%	0.65	S	S	*	*			trans	57.1	91.2	168	-64.8	-12.1	0	0	0	118.4	A104	A104-N106 PolarHBondContact O-N 3.46Å
107	R	40.2	Very low	48	Very low	238 Å²	238	119.3 Å²	119.3	90%	0.898	64%	0.642	S	S	*	*				-177.1	159.7	109.4	-100	-174.1	-177.8	-167.6	1.6	112.9
108	V	28.9	Very low	47	Very low	116 Å²	116	120.4 Å²	120.4	70%	0.703	65%	0.654	S	S	*	*			trans	-44.7	140.8	-175.3	-176.3	0	0	0	0	113.6	T110	V108-T110 PolarHBondContact O-N 3.26Å
109	P	31.4	Very low	46.7	Very low	119 Å²	119	118.8 Å²	118.8	77%	0.773	65%	0.65	S	S	*	*			trans	-69	114.9	176.2	28.6	-30.7	0	0	0	109.1
110	T	34.3	Very low	46.9	Very low	129 Å²	129	115 Å²	115	79%	0.791	63%	0.634	S	S	*	*			trans	-103.8	128.8	159.4	37.6	0	0	0	0	107.6	V108 E112	V108-T110 PolarHBondContact O-N 3.26Å; T110-E112 PolarHBondContact O-N 3.25Å
111	D	30.2	Very low	47.3	Very low	149 Å²	149	116.2 Å²	116.2	80%	0.797	64%	0.639	S	S	*	*	S	Bend	trans	-62.2	88.1	-174.5	-68.1	-49.4	0	0	0	112.3
112	E	32.9	Very low	48.6	Very low	183 Å²	183	111.8 Å²	111.8	86%	0.855	61%	0.612	S	S	*	*			trans	-133.4	85.4	150.8	-75.1	-163.3	129.7	0	0	108.7	T110 S114	T110-E112 PolarHBondContact O-N 3.25Å; E112-S114 VanDerWaalsContact C-N 3.35Å; E112-S114 PolarHBondContact O-N 2.96Å
113	Q	30.6	Very low	50.3	Low	186 Å²	186	108 Å²	108	87%	0.869	59%	0.594	S	S	*	*			trans	-67.2	87.4	166	-82	167.2	-17.1	0	0	109.8
114	S	28.7	Very low	52.6	Low	104 Å²	104	98.9 Å²	98.9	73%	0.727	56%	0.562	S	S	*	*	S	Bend	trans	-171.9	137.1	150.9	40.4	0	0	0	0	110.2	E112	E112-S114 VanDerWaalsContact C-N 3.35Å; E112-S114 PolarHBondContact O-N 2.96Å
115	S	35.5	Very low	55.2	Low	93 Å²	93	96.7 Å²	96.7	65%	0.65	54%	0.544	S	S	*	.			trans	76.9	45.9	176.6	93.5	0	0	0	0	119.2	S117	S115-S117 PolarHBondContact O-N 3.18Å
116	L	37.7	Very low	58	Low	165 Å²	165	93.1 Å²	93.1	86%	0.864	51%	0.514	S	S	*	.	S	Bend	trans	-66.8	36.7	161.1	-80.3	157.2	0	0	0	113.8
117	S	48.3	Very low	60.9	Low	83 Å²	83	86.3 Å²	86.3	58%	0.58	48%	0.477	S	S	*	.			trans	-161.4	93	174.3	54.1	0	0	0	0	106.6	S115	S115-S117 PolarHBondContact O-N 3.18Å
118	A	64.6	Low	63.3	Low	75 Å²	75	77.7 Å²	77.7	62%	0.62	45%	0.445	S	S	*	.			trans	-145.2	87.3	173	0	0	0	0	0	107.2	N120	A118-N120 PolarHBondContact O-N 3.08Å
119	D	79.8	Confident	66	Low	64 Å²	64	76 Å²	76	34%	0.342	43%	0.432	S	S	.	.			trans	-39.5	135.1	170.5	-57.7	-69	0	0	0	110.7	V169 R173 Y195	D119-V169 HydrophobicContact CB-CG1 3.32Å; D119-R173 HydrophobicContact CB-CG 4.42Å; D119-R173 IonicContact OD1-NE 3.72Å; D119-R173 IonicContact OD2-CZ 3.42Å; D119-R173 IonicContact OD2-NE 2.93Å; D119-R173 PolarHBondContact OD2-NE 2.76Å; D119-R173 IonicContact OD2-NH2 3.78Å; D119-R173 PolarHBondContact OD2-NH2 3.32Å; D119-Y195 HydrophobicContact CB-CE1 4.1Å; D119-Y195 HydrophobicContact CB-CE2 4.25Å; D119-Y195 WeakPolarHBondContact OD1-CE2 3.32Å; D119-Y195 PolarHBondContact OD1-OH 3.38Å
120	N	90.8	Very high	68.6	Low	21 Å²	21	73.4 Å²	73.4	11%	0.112	41%	0.414	C	S	.	.			trans	-113.3	146.8	179.6	-168.5	-15.2	0	0	0	108.7	A118 I122 A172 Y195 A196 P198	A118-N120 PolarHBondContact O-N 3.08Å; N120-I122 PolarHBondContact O-N 3.19Å; N120-I122 PolarHBondContact OD1-N 3.34Å; N120-A172 WeakPolarHBondContact O-CB 3.38Å; N120-Y195 HydrophobicContact CB-CD1 4.04Å; N120-Y195 HydrophobicContact CB-CG 4.44Å; N120-Y195 WeakPolarHBondContact O-CD1 3.32Å; N120-Y195 VanDerWaalsContact O-CE1 3.28Å; N120-Y195 WeakPolarHBondContact O-CE1 3.5Å; N120-A196 PolarHBondContact ND2-O 3.32Å; N120-P198 PolarHBondContact ND2-O 2.75Å
121	H	93.5	Very high	70.8	Confident	44 Å²	44	73.5 Å²	73.5	20%	0.204	41%	0.41	C	S	.	.	S	Bend	trans	-72.7	-7.6	170.6	65.2	-74.7	0	0	0	112.3	E165 F166 V169 A199	H121-E165 IonicContact CD2-OE1 2.88Å; H121-E165 IonicContact NE2-OE1 3.62Å; H121-E165 PolarHBondContact NE2-OE1 3.02Å; H121-E165 VanDerWaalsContact NE2-OE1 3.07Å; H121-F166 PolarHBondContact CD2-O 2.89Å; H121-F166 WeakPolarHBondContact O-CB 3.49Å; H121-F166 PolarHBondContact O-N 3.3Å; H121-V169 HydrophobicContact CB-CG2 4.13Å; H121-A199 PolarHBondContact CE1-O 3.11Å; H121-A199 PolarHBondContact NE2-O 3.2Å
122	I	96	Very high	73	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	126.4	173.5	-56.4	169.6	0	0	0	110.6	N120 M163 V164 E165 A196 P198 A199 R200 L201	N120-I122 PolarHBondContact O-N 3.19Å; N120-I122 PolarHBondContact OD1-N 3.34Å; I122-M163 HydrophobicContact CG2-CB 4.33Å; I122-V164 WeakPolarHBondContact CA-O 3.31Å; I122-E165 HydrophobicContact CD1-CB 4.45Å; I122-E165 HydrophobicContact CD1-CG 4.18Å; I122-E165 HydrophobicContact CG1-CB 3.87Å; I122-E165 HydrophobicContact CG1-CG 3.73Å; I122-A196 HydrophobicContact CB-CB 3.91Å; I122-A196 HydrophobicContact CG2-CB 3.44Å; I122-A196 VanDerWaalsContact CG2-CB 3.44Å; I122-A196 WeakPolarHBondContact O-CB 3.41Å; I122-A196 PolarHBondContact O-N 3.18Å; I122-P198 VanDerWaalsContact CD1-O 3.29Å; I122-P198 WeakPolarHBondContact CD1-O 3.27Å; I122-A199 VanDerWaalsContact CD1-C 3.46Å; I122-R200 VanDerWaalsContact CD1-CA 3.49Å; I122-L201 HydrophobicContact CD1-CD2 4.28Å; I122-L201 HydrophobicContact CD1-CG 3.97Å; I122-L201 HydrophobicContact CG1-CG 4.44Å; I122-L201 HydrophobicContact CG2-CD1 4.09Å; I122-L201 HydrophobicContact CG2-CD2 3.92Å; I122-L201 HydrophobicContact CG2-CG 4Å
123	L	96.2	Very high	75.5	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	140.8	175.4	-62.4	-176.3	0	0	0	111.3	F125 M163 V164 F166 A172 A175 K176 V193 D194 Y195	L123-F125 HydrophobicContact CB-CD1 4.01Å; L123-F125 HydrophobicContact CB-CE1 3.58Å; L123-F125 HydrophobicContact CD1-CE1 3.98Å; L123-F125 HydrophobicContact CG-CE1 4.45Å; L123-M163 CarbonylContact O-C 3.51Å; L123-M163 VanDerWaalsContact O-CA 3.27Å; L123-M163 WeakPolarHBondContact O-CA 3.39Å; L123-V164 PolarHBondContact N-O 2.8Å; L123-V164 PolarHBondContact O-N 3.28Å; L123-F166 HydrophobicContact CD1-CD2 4.3Å; L123-F166 HydrophobicContact CD1-CE2 3.71Å; L123-F166 HydrophobicContact CG-CD2 4.35Å; L123-F166 HydrophobicContact CG-CE2 4.12Å; L123-A172 HydrophobicContact CD1-CB 4.4Å; L123-A172 WeakPolarHBondContact CD1-O 3.34Å; L123-A172 HydrophobicContact CD2-CB 4.13Å; L123-A172 HydrophobicContact CG-CB 4.06Å; L123-A175 HydrophobicContact CD1-CB 3.87Å; L123-K176 HydrophobicContact CD1-CB 4.16Å; L123-K176 HydrophobicContact CD2-CB 4.2Å; L123-V193 HydrophobicContact CB-CG1 4.02Å; L123-V193 HydrophobicContact CD1-CG1 3.87Å; L123-V193 HydrophobicContact CD2-CG1 4.32Å; L123-V193 HydrophobicContact CG-CG1 4.3Å; L123-D194 WeakPolarHBondContact CA-O 3.24Å; L123-Y195 HydrophobicContact CD2-CD1 3.59Å; L123-Y195 HydrophobicContact CD2-CE1 3.7Å
124	L	96	Very high	78.3	Confident	32 Å²	32	57.4 Å²	57.4	17%	0.168	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	116.6	171.2	175.1	63.8	0	0	0	109.6	Q161 M163 V193 D194 A196	L124-Q161 HydrophobicContact CD1-CB 4.11Å; L124-M163 HydrophobicContact CD1-CE 4.01Å; L124-M163 HydrophobicContact CD1-CG 3.84Å; L124-V193 WeakPolarHBondContact O-CA 3.41Å; L124-D194 PolarHBondContact N-O 3.25Å; L124-D194 PolarHBondContact O-N 3.32Å; L124-A196 HydrophobicContact CB-CB 4.21Å
125	F	95.7	Very high	81.2	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	118.8	176.6	-71.2	39.6	0	0	0	107	L123 I142 T143 Q161 A162 V164 L179 L191 K192 V193	L123-F125 HydrophobicContact CB-CD1 4.01Å; L123-F125 HydrophobicContact CB-CE1 3.58Å; L123-F125 HydrophobicContact CD1-CE1 3.98Å; L123-F125 HydrophobicContact CG-CE1 4.45Å; F125-I142 HydrophobicContact CD2-CD1 4.4Å; F125-I142 HydrophobicContact CE2-CD1 3.99Å; F125-T143 HydrophobicContact CE2-CG2 3.76Å; F125-T143 HydrophobicContact CZ-CG2 3.53Å; F125-Q161 CarbonylContact O-C 3.6Å; F125-Q161 WeakPolarHBondContact O-CA 3.43Å; F125-Q161 WeakPolarHBondContact O-CB 3.35Å; F125-A162 HydrophobicContact CB-CB 4.18Å; F125-A162 WeakPolarHBondContact CB-O 3.27Å; F125-A162 PolarHBondContact N-O 2.82Å; F125-A162 PolarHBondContact O-N 2.92Å; F125-V164 HydrophobicContact CD1-CG2 4.24Å; F125-V164 HydrophobicContact CE1-CB 4.41Å; F125-V164 HydrophobicContact CE1-CG2 4.06Å; F125-V164 HydrophobicContact CZ-CG2 4.29Å; F125-L179 HydrophobicContact CE2-CD1 4.11Å; F125-L179 HydrophobicContact CZ-CD1 3.82Å; F125-L191 HydrophobicContact CB-CD2 4.29Å; F125-L191 HydrophobicContact CD2-CD1 4.09Å; F125-L191 HydrophobicContact CD2-CD2 3.68Å; F125-L191 HydrophobicContact CD2-CG 4.48Å; F125-L191 HydrophobicContact CE2-CD1 4.07Å; F125-L191 HydrophobicContact CE2-CD2 4.47Å; F125-L191 HydrophobicContact CG-CD2 4.4Å; F125-K192 CarbonylContact C-O 3.47Å; F125-K192 WeakPolarHBondContact CA-O 3.46Å; F125-V193 HydrophobicContact CD1-CG1 3.97Å; F125-V193 HydrophobicContact CD1-CG2 4.18Å; F125-V193 HydrophobicContact CD2-CG2 4.41Å; F125-V193 HydrophobicContact CE1-CG1 3.77Å; F125-V193 HydrophobicContact CE1-CG2 4.21Å; F125-V193 HydrophobicContact CE2-CG2 4.45Å; F125-V193 HydrophobicContact CG-CG2 4.26Å; F125-V193 HydrophobicContact CZ-CG1 4.47Å; F125-V193 HydrophobicContact CZ-CG2 4.34Å
126	T	94.4	Very high	83.7	Confident	7 Å²	7	49.3 Å²	49.3	4%	0.043	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	118.4	165.4	-58.6	0	0	0	0	107.2	Y128 Q159 Q161 K192	T126-Y128 HydrophobicContact CG2-CE1 4.07Å; T126-Y128 HydrophobicContact CG2-CE2 4.16Å; T126-Q159 HydrophobicContact CG2-CG 4.5Å; T126-Q161 PolarHBondContact OG1-NE2 2.86Å; T126-K192 PolarHBondContact N-O 3.03Å; T126-K192 PolarHBondContact O-N 3.43Å
127	I	93.5	Very high	85.9	Confident	4 Å²	4	45.1 Å²	45.1	2%	0.021	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	121.7	-175.7	-54.2	126.5	0	0	0	108.3	T130 I134 I139 V160 A162 I184 C189 L191	I127-T130 HydrophobicContact CB-CG2 4.08Å; I127-T130 HydrophobicContact CG2-CG2 3.66Å; I127-I134 HydrophobicContact CD1-CG1 4.45Å; I127-I134 HydrophobicContact CD1-CG2 3.94Å; I127-I134 HydrophobicContact CG2-CD1 4.32Å; I127-I134 HydrophobicContact CG2-CG1 4.25Å; I127-I139 HydrophobicContact CD1-CD1 4.29Å; I127-V160 HydrophobicContact CD1-CB 4.34Å; I127-V160 HydrophobicContact CD1-CG1 3.76Å; I127-V160 PolarHBondContact N-O 2.97Å; I127-A162 HydrophobicContact CD1-CB 4.43Å; I127-I184 HydrophobicContact CG1-CD1 4.18Å; I127-I184 HydrophobicContact CG2-CD1 4.18Å; I127-C189 HydrophobicContact CG2-CB 3.85Å; I127-L191 HydrophobicContact CG1-CD2 3.66Å
128	Y	90.5	Very high	87.9	Confident	57 Å²	57	41.9 Å²	41.9	22%	0.224	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	163.5	175.2	-59.3	-75.8	0	0	0	111.6	Q59 T126 T130 C189 T190 K192	Q59-Y128 VanDerWaalsContact CD-CD1 3.46Å; Q59-Y128 VanDerWaalsContact CD-CG 3.47Å; Q59-Y128 HydrophobicContact CG-CD1 3.55Å; Q59-Y128 HydrophobicContact CG-CD2 3.6Å; Q59-Y128 HydrophobicContact CG-CE1 3.88Å; Q59-Y128 HydrophobicContact CG-CE2 3.89Å; Q59-Y128 HydrophobicContact CG-CG 3.41Å; Q59-Y128 VanDerWaalsContact CG-CG 3.41Å; T126-Y128 HydrophobicContact CG2-CE1 4.07Å; T126-Y128 HydrophobicContact CG2-CE2 4.16Å; Y128-T130 VanDerWaalsContact C-N 3.33Å; Y128-T130 PolarHBondContact O-N 3.33Å; Y128-C189 CarbonylContact O-C 3.55Å; Y128-C189 WeakPolarHBondContact O-CA 3.21Å; Y128-C189 PolarHBondContact O-N 3.34Å; Y128-T190 PolarHBondContact N-O 3.08Å; Y128-T190 PolarHBondContact O-N 2.82Å; Y128-T190 VanDerWaalsContact O-N 3.1Å; Y128-K192 HydrophobicContact CD2-CB 4.5Å; Y128-K192 HydrophobicContact CE2-CB 3.67Å; Y128-K192 HydrophobicContact CE2-CD 4.32Å
129	D	86.4	Confident	89.2	Confident	81 Å²	81	38.3 Å²	38.3	43%	0.433	20%	0.197	S	C	.	.	S	Bend	trans	53.2	50.5	174.7	-49.2	-31.3	0	0	0	111.8	Q59 D131 C189	Q59-D129 PolarHBondContact NE2-OD1 2.99Å; Q59-D129 VanDerWaalsContact NE2-OD1 3.1Å; Q59-D129 PolarHBondContact NE2-OD2 3.35Å; D129-D131 PolarHBondContact O-N 2.93Å; D129-C189 PolarHBondContact O-N 3.16Å
130	T	84.7	Confident	89.7	Confident	64 Å²	64	36.6 Å²	36.6	39%	0.393	19%	0.186	S	C	.	.			trans	-76.8	64.9	-173.5	56	0	0	0	0	112.2	I127 Y128 R132 V160	I127-T130 HydrophobicContact CB-CG2 4.08Å; I127-T130 HydrophobicContact CG2-CG2 3.66Å; Y128-T130 VanDerWaalsContact C-N 3.33Å; Y128-T130 PolarHBondContact O-N 3.33Å; T130-R132 PolarHBondContact O-N 3.36Å; T130-V160 HydrophobicContact CG2-CB 3.93Å; T130-V160 HydrophobicContact CG2-CG2 3.85Å
131	D	80	Confident	89.3	Confident	131 Å²	131	36.8 Å²	36.8	70%	0.701	19%	0.185	S	C	*	.			trans	-79.8	-10.9	-179.9	-61.6	-24.9	0	0	0	112.6	D129 C188	D129-D131 PolarHBondContact O-N 2.93Å; D131-C188 HydrophobicContact CB-CB 4.45Å
132	R	77.8	Confident	89.1	Confident	103 Å²	103	34.9 Å²	34.9	39%	0.389	18%	0.177	S	C	.	.	S	Bend	trans	-128.7	152.2	-179	-70.9	-179.1	-173.5	-86.7	0.2	111.1	T130 I134 F185	T130-R132 PolarHBondContact O-N 3.36Å; R132-I134 PolarHBondContact O-N 3.35Å; R132-F185 HydrophobicContact CB-CD2 3.59Å; R132-F185 HydrophobicContact CB-CE2 3.44Å; R132-F185 VanDerWaalsContact CB-CE2 3.44Å; R132-F185 HydrophobicContact CB-CG 4.26Å; R132-F185 HydrophobicContact CB-CZ 4.01Å; R132-F185 VanDerWaalsContact CD-CG 3.45Å; R132-F185 HydrophobicContact CG-CD2 4.23Å; R132-F185 HydrophobicContact CG-CE2 4.44Å; R132-F185 HydrophobicContact CG-CG 4.46Å
133	P	85.2	Confident	88.8	Confident	75 Å²	75	34.9 Å²	34.9	49%	0.487	18%	0.177	S	C	.	.			trans	-64.4	127.1	-179	25.8	-33.6	0	0	0	111.4
134	I	89.2	Confident	88.2	Confident	2 Å²	2	37.5 Å²	37.5	1%	0.01	19%	0.188	C	C	.	.			trans	-99.6	111.3	171.7	-56.3	-58.5	0	0	0	108.5	I127 R132 T138 I139 I154 R156 V160 I184 F185 C189	I127-I134 HydrophobicContact CD1-CG1 4.45Å; I127-I134 HydrophobicContact CD1-CG2 3.94Å; I127-I134 HydrophobicContact CG2-CD1 4.32Å; I127-I134 HydrophobicContact CG2-CG1 4.25Å; R132-I134 PolarHBondContact O-N 3.35Å; I134-T138 HydrophobicContact CD1-CG2 4.05Å; I134-I139 HydrophobicContact CG2-CD1 3.66Å; I134-I139 HydrophobicContact CG2-CG1 3.78Å; I134-I154 HydrophobicContact CG2-CD1 4.28Å; I134-R156 VanDerWaalsContact O-CZ 3.29Å; I134-R156 PolarHBondContact O-NH1 2.75Å; I134-R156 PolarHBondContact O-NH2 2.66Å; I134-V160 HydrophobicContact CB-CG1 4.24Å; I134-V160 HydrophobicContact CG1-CG1 4.46Å; I134-V160 HydrophobicContact CG2-CG1 4.46Å; I134-I184 HydrophobicContact CD1-CD1 3.62Å; I134-I184 HydrophobicContact CD1-CG2 4.41Å; I134-F185 HydrophobicContact CD1-CE2 3.75Å; I134-C189 HydrophobicContact CD1-CB 4.06Å
135	T	90.3	Very high	87.6	Confident	24 Å²	24	39.8 Å²	39.8	15%	0.147	21%	0.207	C	C	.	.			trans	-111.5	171.6	174.4	64.8	0	0	0	0	110.8	E137 T138 I139 I154 Q208	T135-E137 PolarHBondContact O-N 2.7Å; T135-E137 PolarHBondContact OG1-N 3.06Å; T135-T138 PolarHBondContact N-OG1 3.33Å; T135-T138 VanDerWaalsContact N-OG1 3.15Å; T135-T138 VanDerWaalsContact O-CB 3.3Å; T135-T138 WeakPolarHBondContact O-CB 3.44Å; T135-T138 PolarHBondContact O-N 3.23Å; T135-T138 VanDerWaalsContact O-N 3.11Å; T135-T138 PolarHBondContact OG1-N 3.18Å; T135-T138 PolarHBondContact OG1-OG1 2.71Å; T135-T138 VanDerWaalsContact OG1-OG1 3.11Å; T135-I139 PolarHBondContact O-N 3.42Å; T135-I154 WeakPolarHBondContact O-CD1 3.22Å; T135-Q208 CarbonylContact C-O 3.54Å; T135-Q208 WeakPolarHBondContact CA-O 3.46Å
136	V	87.5	Confident	87	Confident	3 Å²	3	40.9 Å²	40.9	2%	0.018	21%	0.211	C	C	.	.	H	α-helix	trans	-51.2	-43.1	169.3	162.1	0	0	0	0	110.1	I139 Y140 I152 I154 Q208 W211 F213	V136-I139 PolarHBondContact O-N 3.43Å; V136-Y140 VanDerWaalsContact O-CB 3.25Å; V136-Y140 WeakPolarHBondContact O-CB 3.42Å; V136-Y140 PolarHBondContact O-N 3.41Å; V136-I152 HydrophobicContact CG1-CB 4.36Å; V136-I152 HydrophobicContact CG1-CD1 4.24Å; V136-I152 HydrophobicContact CG2-CB 4.39Å; V136-I152 HydrophobicContact CG2-CG2 4.03Å; V136-I154 HydrophobicContact CG2-CD1 4.29Å; V136-I154 VanDerWaalsContact N-CD1 3.31Å; V136-Q208 WeakPolarHBondContact CG2-O 3.32Å; V136-Q208 PolarHBondContact N-O 2.99Å; V136-W211 HydrophobicContact CB-CB 4.4Å; V136-W211 HydrophobicContact CG1-CB 3.47Å; V136-W211 VanDerWaalsContact CG1-CB 3.47Å; V136-W211 HydrophobicContact CG1-CD2 4.49Å; V136-W211 HydrophobicContact CG1-CG 4.03Å; V136-W211 HydrophobicContact CG2-CB 4.11Å; V136-F213 HydrophobicContact CG1-CZ 4.06Å
137	E	83.8	Confident	86.3	Confident	78 Å²	78	41.2 Å²	41.2	36%	0.364	22%	0.216	S	C	.	.	H	α-helix	trans	-60.5	-47	178.2	-174.3	-173.4	169.2	0	0	111.2	T135 I139 Y140 R141	T135-E137 PolarHBondContact O-N 2.7Å; T135-E137 PolarHBondContact OG1-N 3.06Å; E137-I139 VanDerWaalsContact C-N 3.32Å; E137-I139 PolarHBondContact O-N 2.98Å; E137-Y140 PolarHBondContact O-N 3.07Å; E137-R141 HydrophobicContact CG-CG 4.47Å; E137-R141 WeakPolarHBondContact O-CB 3.28Å; E137-R141 VanDerWaalsContact O-CG 3.26Å; E137-R141 WeakPolarHBondContact O-CG 3.44Å; E137-R141 PolarHBondContact O-N 2.95Å
138	T	90.2	Very high	86	Confident	14 Å²	14	44.5 Å²	44.5	9%	0.086	24%	0.24	C	C	.	.	H	α-helix	trans	-54.1	-48.6	175	-51.9	0	0	0	0	111.1	I134 T135 I142 I184 F185 L234	I134-T138 HydrophobicContact CD1-CG2 4.05Å; T135-T138 PolarHBondContact N-OG1 3.33Å; T135-T138 VanDerWaalsContact N-OG1 3.15Å; T135-T138 VanDerWaalsContact O-CB 3.3Å; T135-T138 WeakPolarHBondContact O-CB 3.44Å; T135-T138 PolarHBondContact O-N 3.23Å; T135-T138 VanDerWaalsContact O-N 3.11Å; T135-T138 PolarHBondContact OG1-N 3.18Å; T135-T138 PolarHBondContact OG1-OG1 2.71Å; T135-T138 VanDerWaalsContact OG1-OG1 3.11Å; T138-I142 PolarHBondContact O-N 2.77Å; T138-I184 HydrophobicContact CG2-CG2 3.58Å; T138-F185 HydrophobicContact CG2-CE2 4.19Å; T138-F185 HydrophobicContact CG2-CZ 3.77Å; T138-L234 HydrophobicContact CG2-CD1 3.41Å; T138-L234 VanDerWaalsContact CG2-CD1 3.41Å
139	I	92.7	Very high	86	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-70.9	-40.2	-178.3	-62.4	-60.3	0	0	0	111.8	I127 I134 T135 V136 E137 R141 I142 T143 I152 I154 A162 V164 I184	I127-I139 HydrophobicContact CD1-CD1 4.29Å; I134-I139 HydrophobicContact CG2-CD1 3.66Å; I134-I139 HydrophobicContact CG2-CG1 3.78Å; T135-I139 PolarHBondContact O-N 3.42Å; V136-I139 PolarHBondContact O-N 3.43Å; E137-I139 VanDerWaalsContact C-N 3.32Å; E137-I139 PolarHBondContact O-N 2.98Å; I139-R141 VanDerWaalsContact C-N 3.34Å; I139-R141 PolarHBondContact O-N 3.43Å; I139-I142 HydrophobicContact CD1-CD1 4.19Å; I139-I142 WeakPolarHBondContact O-CG1 3.06Å; I139-I142 PolarHBondContact O-N 3.3Å; I139-T143 HydrophobicContact CG2-CG2 4.46Å; I139-T143 WeakPolarHBondContact O-CB 3.37Å; I139-T143 WeakPolarHBondContact O-CG2 3.22Å; I139-T143 PolarHBondContact O-N 3.18Å; I139-T143 PolarHBondContact O-OG1 3.41Å; I139-I152 HydrophobicContact CB-CD1 4.25Å; I139-I152 HydrophobicContact CB-CG2 4.17Å; I139-I152 HydrophobicContact CG2-CD1 3.98Å; I139-I152 HydrophobicContact CG2-CG1 4.33Å; I139-I152 HydrophobicContact CG2-CG2 3.97Å; I139-I154 HydrophobicContact CG1-CD1 4.09Å; I139-A162 HydrophobicContact CD1-CB 4.08Å; I139-A162 HydrophobicContact CG1-CB 3.97Å; I139-A162 HydrophobicContact CG2-CB 4.35Å; I139-V164 HydrophobicContact CG2-CG2 3.45Å; I139-V164 VanDerWaalsContact CG2-CG2 3.45Å; I139-I184 HydrophobicContact CD1-CD1 4.12Å
140	Y	88.9	Confident	86.1	Confident	28 Å²	28	40.2 Å²	40.2	11%	0.11	22%	0.221	C	C	.	.	H	α-helix	trans	-60.8	-47.3	177.1	-176.7	-97.2	0	0	0	110.3	V136 E137 I142 T143 F144 V149 I152 F213 F221	V136-Y140 VanDerWaalsContact O-CB 3.25Å; V136-Y140 WeakPolarHBondContact O-CB 3.42Å; V136-Y140 PolarHBondContact O-N 3.41Å; E137-Y140 PolarHBondContact O-N 3.07Å; Y140-I142 PolarHBondContact O-N 3.18Å; Y140-T143 PolarHBondContact O-N 2.86Å; Y140-T143 PolarHBondContact O-OG1 3.08Å; Y140-F144 HydrophobicContact CD1-CB 4.22Å; Y140-F144 HydrophobicContact CD2-CB 4.5Å; Y140-F144 HydrophobicContact CE1-CB 3.8Å; Y140-F144 HydrophobicContact CE1-CG 4.16Å; Y140-F144 HydrophobicContact CE2-CB 4.13Å; Y140-F144 WeakPolarHBondContact O-CB 3.3Å; Y140-F144 WeakPolarHBondContact O-CD1 3.35Å; Y140-F144 PolarHBondContact O-N 3Å; Y140-V149 HydrophobicContact CD2-CB 4.09Å; Y140-V149 HydrophobicContact CD2-CG1 4.08Å; Y140-V149 HydrophobicContact CE2-CB 3.97Å; Y140-V149 HydrophobicContact CE2-CG1 4.39Å; Y140-I152 HydrophobicContact CD2-CD1 4.14Å; Y140-I152 HydrophobicContact CG-CD1 4.42Å; Y140-F213 HydrophobicContact CD2-CD1 4.21Å; Y140-F213 HydrophobicContact CD2-CD2 4.47Å; Y140-F213 AromaticContact CD2-CE1 3.45Å; Y140-F213 HydrophobicContact CD2-CE1 3.45Å; Y140-F213 VanDerWaalsContact CD2-CE1 3.45Å; Y140-F213 AromaticContact CD2-CE2 3.78Å; Y140-F213 HydrophobicContact CD2-CE2 3.78Å; Y140-F213 AromaticContact CD2-CZ 3.21Å; Y140-F213 HydrophobicContact CD2-CZ 3.21Å; Y140-F213 AromaticContact CE2-CD1 3.85Å; Y140-F213 HydrophobicContact CE2-CD1 3.85Å; Y140-F213 AromaticContact CE2-CE1 3.5Å; Y140-F213 HydrophobicContact CE2-CE1 3.5Å; Y140-F213 VanDerWaalsContact CE2-CE1 3.5Å; Y140-F213 HydrophobicContact CE2-CE2 4.24Å; Y140-F213 HydrophobicContact CE2-CG 4.36Å; Y140-F213 AromaticContact CE2-CZ 3.73Å; Y140-F213 HydrophobicContact CE2-CZ 3.73Å; Y140-F213 HydrophobicContact CG-CE1 4.1Å; Y140-F213 AromaticContact CG-CZ 3.87Å; Y140-F213 HydrophobicContact CG-CZ 3.87Å; Y140-F221 HydrophobicContact CD1-CB 4.32Å; Y140-F221 HydrophobicContact CE1-CB 4.05Å
141	R	83.6	Confident	86.5	Confident	25 Å²	25	37.5 Å²	37.5	9%	0.094	20%	0.203	C	C	.	.	H	α-helix	trans	-58.8	-31.1	-178.9	-77.7	-176.8	66.5	-144.2	-3.7	114	E137 I139 F144 L234 M237	E137-R141 HydrophobicContact CG-CG 4.47Å; E137-R141 WeakPolarHBondContact O-CB 3.28Å; E137-R141 VanDerWaalsContact O-CG 3.26Å; E137-R141 WeakPolarHBondContact O-CG 3.44Å; E137-R141 PolarHBondContact O-N 2.95Å; I139-R141 VanDerWaalsContact C-N 3.34Å; I139-R141 PolarHBondContact O-N 3.43Å; R141-F144 VanDerWaalsContact O-CD1 3.29Å; R141-F144 WeakPolarHBondContact O-CD1 3.49Å; R141-F144 VanDerWaalsContact O-CE1 3.23Å; R141-F144 WeakPolarHBondContact O-CE1 3.42Å; R141-L234 HydrophobicContact CB-CD2 3.56Å; R141-M237 PolarHBondContact NH1-SD 2.95Å
142	I	88.5	Confident	87.1	Confident	5 Å²	5	31.2 Å²	31.2	3%	0.026	17%	0.17	C	C	.	.	H	α-helix	trans	-88.4	-13.2	177.2	66	170.4	0	0	0	113.7	F125 T138 I139 Y140 Y146 I184 L191 L233 L234	F125-I142 HydrophobicContact CD2-CD1 4.4Å; F125-I142 HydrophobicContact CE2-CD1 3.99Å; T138-I142 PolarHBondContact O-N 2.77Å; I139-I142 HydrophobicContact CD1-CD1 4.19Å; I139-I142 WeakPolarHBondContact O-CG1 3.06Å; I139-I142 PolarHBondContact O-N 3.3Å; Y140-I142 PolarHBondContact O-N 3.18Å; I142-Y146 WeakPolarHBondContact O-CE2 3.34Å; I142-I184 HydrophobicContact CD1-CD1 4.1Å; I142-I184 HydrophobicContact CD1-CG1 3.92Å; I142-I184 HydrophobicContact CG2-CG2 4.36Å; I142-L191 HydrophobicContact CD1-CD1 3.83Å; I142-L233 HydrophobicContact CB-CB 4.07Å; I142-L233 HydrophobicContact CB-CD1 4.01Å; I142-L233 HydrophobicContact CD1-CD1 4.08Å; I142-L233 HydrophobicContact CG2-CB 3.4Å; I142-L233 HydrophobicContact CG2-CD1 4.01Å; I142-L233 HydrophobicContact CG2-CG 4.3Å; I142-L234 HydrophobicContact CG2-CD1 4.37Å; I142-L234 HydrophobicContact CG2-CD2 3.5Å; I142-L234 VanDerWaalsContact CG2-CD2 3.5Å; I142-L234 HydrophobicContact CG2-CG 3.73Å
143	T	88.8	Confident	88	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-111.9	-29.8	-172.5	51.4	0	0	0	0	114.6	F125 I139 Y140 S145 Y146 V164 F166 L179	F125-T143 HydrophobicContact CE2-CG2 3.76Å; F125-T143 HydrophobicContact CZ-CG2 3.53Å; I139-T143 HydrophobicContact CG2-CG2 4.46Å; I139-T143 WeakPolarHBondContact O-CB 3.37Å; I139-T143 WeakPolarHBondContact O-CG2 3.22Å; I139-T143 PolarHBondContact O-N 3.18Å; I139-T143 PolarHBondContact O-OG1 3.41Å; Y140-T143 PolarHBondContact O-N 2.86Å; Y140-T143 PolarHBondContact O-OG1 3.08Å; T143-S145 PolarHBondContact O-N 3.01Å; T143-S145 VanDerWaalsContact O-N 3.09Å; T143-Y146 WeakPolarHBondContact O-CB 3.36Å; T143-Y146 PolarHBondContact O-N 3.09Å; T143-V164 HydrophobicContact CG2-CG1 4.24Å; T143-V164 HydrophobicContact CG2-CG2 4.29Å; T143-F166 HydrophobicContact CG2-CZ 4.04Å; T143-L179 HydrophobicContact CG2-CD1 3.94Å
144	F	85.1	Confident	88.3	Confident	55 Å²	55	23.6 Å²	23.6	24%	0.241	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-60.7	-25.8	-172.4	83.6	-82.3	0	0	0	114.1	Y140 R141 Y146 Q225	Y140-F144 HydrophobicContact CD1-CB 4.22Å; Y140-F144 HydrophobicContact CD2-CB 4.5Å; Y140-F144 HydrophobicContact CE1-CB 3.8Å; Y140-F144 HydrophobicContact CE1-CG 4.16Å; Y140-F144 HydrophobicContact CE2-CB 4.13Å; Y140-F144 WeakPolarHBondContact O-CB 3.3Å; Y140-F144 WeakPolarHBondContact O-CD1 3.35Å; Y140-F144 PolarHBondContact O-N 3Å; R141-F144 VanDerWaalsContact O-CD1 3.29Å; R141-F144 WeakPolarHBondContact O-CD1 3.49Å; R141-F144 VanDerWaalsContact O-CE1 3.23Å; R141-F144 WeakPolarHBondContact O-CE1 3.42Å; F144-Y146 PolarHBondContact O-N 2.98Å; F144-Q225 HydrophobicContact CE2-CG 3.68Å; F144-Q225 HydrophobicContact CZ-CB 4.36Å; F144-Q225 HydrophobicContact CZ-CG 3.74Å
145	S	82.3	Confident	88.5	Confident	79 Å²	79	27.1 Å²	27.1	55%	0.552	15%	0.148	S	C	*	.	G	3₁₀ helix	trans	-73.6	-11.7	178.3	59	0	0	0	0	113.8	T143	T143-S145 PolarHBondContact O-N 3.01Å; T143-S145 VanDerWaalsContact O-N 3.09Å
146	Y	83.2	Confident	88.4	Confident	23 Å²	23	31.2 Å²	31.2	9%	0.09	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-98.6	-13.2	-178.5	-65.5	-75.8	0	0	0	114.2	I142 T143 F144 A175 H178 L179 Y229	I142-Y146 WeakPolarHBondContact O-CE2 3.34Å; T143-Y146 WeakPolarHBondContact O-CB 3.36Å; T143-Y146 PolarHBondContact O-N 3.09Å; F144-Y146 PolarHBondContact O-N 2.98Å; Y146-A175 HydrophobicContact CD2-CB 4.41Å; Y146-A175 HydrophobicContact CG-CB 3.92Å; Y146-H178 HydrophobicContact CD1-CB 4.44Å; Y146-H178 HydrophobicContact CE1-CB 3.47Å; Y146-H178 VanDerWaalsContact CE1-CB 3.47Å; Y146-H178 AromaticContact CE1-CG 3.72Å; Y146-H178 AromaticContact CE1-ND1 3.88Å; Y146-H178 WeakPolarHBondContact OH-CB 3.27Å; Y146-L179 HydrophobicContact CD2-CD1 3.94Å; Y146-L179 HydrophobicContact CD2-CG 4.28Å; Y146-L179 HydrophobicContact CE2-CD1 3.97Å; Y146-L179 HydrophobicContact CE2-CD2 3.74Å; Y146-L179 HydrophobicContact CE2-CG 3.85Å; Y146-Y229 PolarHBondContact OH-OH 3.43Å
147	G	81.2	Confident	88.2	Confident	15 Å²	15	39.9 Å²	39.9	16%	0.155	20%	0.198	C	C	.	.	S	Bend	trans	161.6	179.7	179.5	0	0	0	0	0	112.7	V149 E171	G147-V149 PolarHBondContact O-N 3.45Å; G147-V149 VanDerWaalsContact O-N 3.16Å; G147-E171 WeakPolarHBondContact CA-OE1 3.16Å
148	S	85.5	Confident	87.9	Confident	73 Å²	73	42 Å²	42	51%	0.51	22%	0.222	S	C	.	.			trans	-69.2	109.4	179.6	-56.9	0	0	0	0	110.6	F166 G167 E171	S148-F166 CarbonylContact O-C 3.56Å; S148-F166 VanDerWaalsContact O-CA 3.3Å; S148-F166 WeakPolarHBondContact O-CA 3.35Å; S148-G167 PolarHBondContact O-N 3.23Å; S148-E171 PolarHBondContact N-OE1 2.88Å
149	V	91	Very high	87.7	Confident	12 Å²	12	45.1 Å²	45.1	7%	0.073	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	114.5	177	178.4	0	0	0	0	109.6	Y140 G147 I152 V164 F166 F213	Y140-V149 HydrophobicContact CD2-CB 4.09Å; Y140-V149 HydrophobicContact CD2-CG1 4.08Å; Y140-V149 HydrophobicContact CE2-CB 3.97Å; Y140-V149 HydrophobicContact CE2-CG1 4.39Å; G147-V149 PolarHBondContact O-N 3.45Å; G147-V149 VanDerWaalsContact O-N 3.16Å; V149-I152 HydrophobicContact CG1-CD1 3.96Å; V149-I152 HydrophobicContact CG1-CG1 3.79Å; V149-V164 HydrophobicContact CG1-CG1 3.8Å; V149-V164 HydrophobicContact CG2-CG1 4.29Å; V149-F166 HydrophobicContact CG2-CD1 4.3Å; V149-F166 HydrophobicContact CG2-CE1 3.94Å; V149-F213 HydrophobicContact CG1-CD2 4.13Å; V149-F213 HydrophobicContact CG1-CE2 4.03Å; V149-F213 WeakPolarHBondContact O-CB 3.46Å
150	L	88.4	Confident	87.7	Confident	36 Å²	36	46.1 Å²	46.1	19%	0.188	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	-44.8	-177.8	-55.5	-174.8	0	0	0	112	E165 F213 E214	L150-E165 HydrophobicContact CB-CB 4.37Å; L150-E165 HydrophobicContact CB-CG 4.14Å; L150-E165 HydrophobicContact CD1-CG 4.21Å; L150-E165 PolarHBondContact N-O 2.82Å; L150-F213 WeakPolarHBondContact O-CB 3.37Å; L150-F213 PolarHBondContact O-N 3.41Å; L150-E214 HydrophobicContact CB-CG 4.2Å; L150-E214 HydrophobicContact CD2-CG 3.94Å
151	R	92.8	Very high	88	Confident	6 Å²	6	47 Å²	47	2%	0.023	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	145.2	-176.7	-60.9	-175.1	179.9	71.8	20.4	112.1	V164 E165 L201 V203 W211 D212 E214	R151-V164 WeakPolarHBondContact O-CA 3.32Å; R151-E165 HydrophobicContact CB-CB 4.09Å; R151-E165 VanDerWaalsContact CD-OE2 3.3Å; R151-E165 WeakPolarHBondContact CD-OE2 3.5Å; R151-E165 IonicContact CZ-OE2 3.69Å; R151-E165 IonicContact NE-OE2 3.67Å; R151-E165 IonicContact NH1-OE1 3.18Å; R151-E165 IonicContact NH1-OE2 3.51Å; R151-E165 PolarHBondContact NH1-OE2 2.87Å; R151-E165 PolarHBondContact O-N 3.31Å; R151-L201 HydrophobicContact CB-CB 4.1Å; R151-L201 HydrophobicContact CB-CD1 4.21Å; R151-L201 VanDerWaalsContact CD-O 3.31Å; R151-L201 WeakPolarHBondContact CD-O 3.32Å; R151-V203 HydrophobicContact CB-CG2 3.96Å; R151-V203 HydrophobicContact CG-CG2 4.07Å; R151-W211 CarbonylContact C-O 3.52Å; R151-W211 VanDerWaalsContact CA-O 3.28Å; R151-W211 WeakPolarHBondContact CA-O 3.48Å; R151-D212 HydrophobicContact CG-CB 4.34Å; R151-D212 IonicContact CZ-OD1 3.61Å; R151-D212 IonicContact CZ-OD2 3.53Å; R151-D212 VanDerWaalsContact NE-CG 3.31Å; R151-D212 IonicContact NE-OD1 2.95Å; R151-D212 PolarHBondContact NE-OD1 3.28Å; R151-D212 IonicContact NE-OD2 3.33Å; R151-D212 PolarHBondContact NE-OD2 2.8Å; R151-D212 IonicContact NH2-OD1 3.8Å; R151-D212 PolarHBondContact NH2-OD1 2.9Å; R151-D212 IonicContact NH2-OD2 2.72Å; R151-D212 PolarHBondContact NH2-OD2 2.85Å; R151-E214 IonicContact CZ-OE2 3.28Å; R151-E214 IonicContact NH1-OE2 2.89Å; R151-E214 PolarHBondContact NH1-OE2 3.42Å; R151-E214 IonicContact NH2-OE2 3.67Å; R151-E214 PolarHBondContact NH2-OE2 2.77Å
152	I	94.1	Very high	88.6	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	133.9	170	-63.4	170.7	0	0	0	109.1	V136 I139 Y140 V149 I154 M163 V164 N210 W211 F213	V136-I152 HydrophobicContact CG1-CB 4.36Å; V136-I152 HydrophobicContact CG1-CD1 4.24Å; V136-I152 HydrophobicContact CG2-CB 4.39Å; V136-I152 HydrophobicContact CG2-CG2 4.03Å; I139-I152 HydrophobicContact CB-CD1 4.25Å; I139-I152 HydrophobicContact CB-CG2 4.17Å; I139-I152 HydrophobicContact CG2-CD1 3.98Å; I139-I152 HydrophobicContact CG2-CG1 4.33Å; I139-I152 HydrophobicContact CG2-CG2 3.97Å; Y140-I152 HydrophobicContact CD2-CD1 4.14Å; Y140-I152 HydrophobicContact CG-CD1 4.42Å; V149-I152 HydrophobicContact CG1-CD1 3.96Å; V149-I152 HydrophobicContact CG1-CG1 3.79Å; I152-I154 HydrophobicContact CG2-CG1 4.19Å; I152-M163 WeakPolarHBondContact CA-O 3.28Å; I152-V164 HydrophobicContact CG1-CG1 4.23Å; I152-V164 HydrophobicContact CG1-CG2 4.36Å; I152-N210 CarbonylContact O-C 3.55Å; I152-N210 WeakPolarHBondContact O-CA 3.2Å; I152-W211 PolarHBondContact N-O 2.89Å; I152-W211 PolarHBondContact O-N 2.8Å; I152-F213 HydrophobicContact CB-CE2 4.39Å; I152-F213 HydrophobicContact CD1-CE2 3.78Å; I152-F213 HydrophobicContact CD1-CZ 4.04Å; I152-F213 HydrophobicContact CG1-CE2 3.92Å
153	V	94.8	Very high	89	Confident	8 Å²	8	46.9 Å²	46.9	5%	0.048	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	124	173.6	178.4	0	0	0	0	109.7	F155 A162 M163 L201 V203 D209	V153-F155 HydrophobicContact CB-CE2 4.32Å; V153-F155 HydrophobicContact CB-CZ 4.31Å; V153-F155 HydrophobicContact CG1-CD2 4.44Å; V153-F155 HydrophobicContact CG1-CE1 3.84Å; V153-F155 HydrophobicContact CG1-CE2 3.75Å; V153-F155 HydrophobicContact CG1-CZ 3.41Å; V153-F155 VanDerWaalsContact CG1-CZ 3.41Å; V153-A162 CarbonylContact O-C 3.4Å; V153-A162 VanDerWaalsContact O-CA 3.28Å; V153-A162 WeakPolarHBondContact O-CA 3.32Å; V153-M163 PolarHBondContact N-O 2.88Å; V153-M163 PolarHBondContact O-N 3.19Å; V153-L201 HydrophobicContact CG2-CB 4.46Å; V153-L201 HydrophobicContact CG2-CD1 4.46Å; V153-V203 HydrophobicContact CG2-CG2 3.77Å; V153-D209 CarbonylContact C-O 3.54Å
154	I	93.1	Very high	89.4	Confident	9 Å²	9	46.9 Å²	46.9	5%	0.046	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	129.3	-179.3	-58.6	178.8	0	0	0	109.7	I134 T135 V136 I139 I152 R156 V160 Q161 A162 D209	I134-I154 HydrophobicContact CG2-CD1 4.28Å; T135-I154 WeakPolarHBondContact O-CD1 3.22Å; V136-I154 HydrophobicContact CG2-CD1 4.29Å; V136-I154 VanDerWaalsContact N-CD1 3.31Å; I139-I154 HydrophobicContact CG1-CD1 4.09Å; I152-I154 HydrophobicContact CG2-CG1 4.19Å; I154-R156 HydrophobicContact CG2-CG 4.16Å; I154-V160 HydrophobicContact CG2-CG1 4.08Å; I154-Q161 CarbonylContact C-O 3.57Å; I154-Q161 WeakPolarHBondContact CA-O 3.42Å; I154-A162 HydrophobicContact CG1-CB 4.02Å; I154-D209 HydrophobicContact CB-CB 4.25Å; I154-D209 WeakPolarHBondContact CB-O 3.3Å; I154-D209 PolarHBondContact N-O 2.7Å
155	F	92	Very high	89.9	Confident	77 Å²	77	44.6 Å²	44.6	34%	0.338	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	120.1	176.4	-53.9	-83.7	0	0	0	109.6	V153 V160 Q161 M163	V153-F155 HydrophobicContact CB-CE2 4.32Å; V153-F155 HydrophobicContact CB-CZ 4.31Å; V153-F155 HydrophobicContact CG1-CD2 4.44Å; V153-F155 HydrophobicContact CG1-CE1 3.84Å; V153-F155 HydrophobicContact CG1-CE2 3.75Å; V153-F155 HydrophobicContact CG1-CZ 3.41Å; V153-F155 VanDerWaalsContact CG1-CZ 3.41Å; F155-V160 WeakPolarHBondContact O-CA 3.43Å; F155-Q161 PolarHBondContact N-O 3.26Å; F155-Q161 PolarHBondContact O-N 3.16Å; F155-M163 HydrophobicContact CE2-CB 4.43Å; F155-M163 HydrophobicContact CE2-CG 3.97Å; F155-M163 HydrophobicContact CE2-SD 3.94Å; F155-M163 HydrophobicContact CZ-SD 4.36Å
156	R	89.2	Confident	90.4	Very high	109 Å²	109	40.9 Å²	40.9	41%	0.411	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	64	178.2	-56.8	178.1	-170.9	-83.1	6.9	110.6	I134 I154 D209	I134-R156 VanDerWaalsContact O-CZ 3.29Å; I134-R156 PolarHBondContact O-NH1 2.75Å; I134-R156 PolarHBondContact O-NH2 2.66Å; I154-R156 HydrophobicContact CG2-CG 4.16Å; R156-D209 IonicContact CZ-OD1 2.95Å; R156-D209 IonicContact NE-OD1 3.91Å; R156-D209 PolarHBondContact NE-OD1 3.46Å; R156-D209 IonicContact NE-OD2 3.14Å; R156-D209 PolarHBondContact NE-OD2 2.96Å; R156-D209 IonicContact NH2-OD1 3.12Å; R156-D209 PolarHBondContact NH2-OD1 2.93Å
157	K	82.5	Confident	90.7	Very high	185 Å²	185	41.9 Å²	41.9	80%	0.804	23%	0.228	S	C	*	.	S	Bend	trans	-93.2	-115.9	176.9	-65.6	-172.3	-176.4	-179	0	110
158	S	78.2	Confident	91.2	Very high	124 Å²	124	43.2 Å²	43.2	87%	0.867	24%	0.235	S	C	*	.	S	Bend	trans	-76	-27.6	176.9	58.4	0	0	0	0	113.2
159	Q	85.9	Confident	91.6	Very high	79 Å²	79	42 Å²	42	37%	0.369	23%	0.225	S	C	.	.	S	Bend	trans	-140.2	150	175.6	63.1	-175.1	4.7	0	0	107.7	T126 Q161	T126-Q159 HydrophobicContact CG2-CG 4.5Å; Q159-Q161 HydrophobicContact CG-CG 3.81Å; Q159-Q161 VanDerWaalsContact NE2-NE2 3.14Å; Q159-Q161 PolarHBondContact O-N 3.11Å
160	V	92.9	Very high	91.6	Very high	20 Å²	20	47.1 Å²	47.1	12%	0.121	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	122.8	175.3	-174.2	0	0	0	0	108.2	I127 T130 I134 I154 F155	I127-V160 HydrophobicContact CD1-CB 4.34Å; I127-V160 HydrophobicContact CD1-CG1 3.76Å; I127-V160 PolarHBondContact N-O 2.97Å; T130-V160 HydrophobicContact CG2-CB 3.93Å; T130-V160 HydrophobicContact CG2-CG2 3.85Å; I134-V160 HydrophobicContact CB-CG1 4.24Å; I134-V160 HydrophobicContact CG1-CG1 4.46Å; I134-V160 HydrophobicContact CG2-CG1 4.46Å; I154-V160 HydrophobicContact CG2-CG1 4.08Å; F155-V160 WeakPolarHBondContact O-CA 3.43Å
161	Q	95.2	Very high	91.7	Very high	47 Å²	47	47.6 Å²	47.6	22%	0.22	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	149.1	173.5	-55.2	-171.7	-79	0	0	109.8	L124 F125 T126 I154 F155 Q159	L124-Q161 HydrophobicContact CD1-CB 4.11Å; F125-Q161 CarbonylContact O-C 3.6Å; F125-Q161 WeakPolarHBondContact O-CA 3.43Å; F125-Q161 WeakPolarHBondContact O-CB 3.35Å; T126-Q161 PolarHBondContact OG1-NE2 2.86Å; I154-Q161 CarbonylContact C-O 3.57Å; I154-Q161 WeakPolarHBondContact CA-O 3.42Å; F155-Q161 PolarHBondContact N-O 3.26Å; F155-Q161 PolarHBondContact O-N 3.16Å; Q159-Q161 HydrophobicContact CG-CG 3.81Å; Q159-Q161 VanDerWaalsContact NE2-NE2 3.14Å; Q159-Q161 PolarHBondContact O-N 3.11Å
162	A	96.5	Very high	91.8	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	140.9	170.9	0	0	0	0	0	109.7	F125 I127 I139 V153 I154	F125-A162 HydrophobicContact CB-CB 4.18Å; F125-A162 WeakPolarHBondContact CB-O 3.27Å; F125-A162 PolarHBondContact N-O 2.82Å; F125-A162 PolarHBondContact O-N 2.92Å; I127-A162 HydrophobicContact CD1-CB 4.43Å; I139-A162 HydrophobicContact CD1-CB 4.08Å; I139-A162 HydrophobicContact CG1-CB 3.97Å; I139-A162 HydrophobicContact CG2-CB 4.35Å; V153-A162 CarbonylContact O-C 3.4Å; V153-A162 VanDerWaalsContact O-CA 3.28Å; V153-A162 WeakPolarHBondContact O-CA 3.32Å; I154-A162 HydrophobicContact CG1-CB 4.02Å
163	M	96.9	Very high	91.6	Very high	28 Å²	28	52.1 Å²	52.1	14%	0.138	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	133.1	165.7	-73	-179	166.1	0	0	108.9	I122 L123 L124 I152 V153 F155 A196 P198 L201	I122-M163 HydrophobicContact CG2-CB 4.33Å; L123-M163 CarbonylContact O-C 3.51Å; L123-M163 VanDerWaalsContact O-CA 3.27Å; L123-M163 WeakPolarHBondContact O-CA 3.39Å; L124-M163 HydrophobicContact CD1-CE 4.01Å; L124-M163 HydrophobicContact CD1-CG 3.84Å; I152-M163 WeakPolarHBondContact CA-O 3.28Å; V153-M163 PolarHBondContact N-O 2.88Å; V153-M163 PolarHBondContact O-N 3.19Å; F155-M163 HydrophobicContact CE2-CB 4.43Å; F155-M163 HydrophobicContact CE2-CG 3.97Å; F155-M163 HydrophobicContact CE2-SD 3.94Å; F155-M163 HydrophobicContact CZ-SD 4.36Å; M163-A196 HydrophobicContact CE-CB 4.09Å; M163-P198 HydrophobicContact CE-CG 4.2Å; M163-P198 HydrophobicContact SD-CG 4.28Å; M163-L201 HydrophobicContact CB-CD1 3.71Å; M163-L201 HydrophobicContact CB-CD2 3.71Å; M163-L201 HydrophobicContact CB-CG 4.38Å; M163-L201 HydrophobicContact CG-CD2 4.3Å; M163-L201 HydrophobicContact SD-CD2 3.64Å
164	V	96.7	Very high	91.5	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	119.4	-179.5	-172.4	0	0	0	0	108.5	I122 L123 F125 I139 T143 V149 R151 I152 F166	I122-V164 WeakPolarHBondContact CA-O 3.31Å; L123-V164 PolarHBondContact N-O 2.8Å; L123-V164 PolarHBondContact O-N 3.28Å; F125-V164 HydrophobicContact CD1-CG2 4.24Å; F125-V164 HydrophobicContact CE1-CB 4.41Å; F125-V164 HydrophobicContact CE1-CG2 4.06Å; F125-V164 HydrophobicContact CZ-CG2 4.29Å; I139-V164 HydrophobicContact CG2-CG2 3.45Å; I139-V164 VanDerWaalsContact CG2-CG2 3.45Å; T143-V164 HydrophobicContact CG2-CG1 4.24Å; T143-V164 HydrophobicContact CG2-CG2 4.29Å; V149-V164 HydrophobicContact CG1-CG1 3.8Å; V149-V164 HydrophobicContact CG2-CG1 4.29Å; R151-V164 WeakPolarHBondContact O-CA 3.32Å; I152-V164 HydrophobicContact CG1-CG1 4.23Å; I152-V164 HydrophobicContact CG1-CG2 4.36Å; V164-F166 HydrophobicContact CB-CE2 4.05Å; V164-F166 HydrophobicContact CG1-CD2 4.18Å; V164-F166 HydrophobicContact CG1-CE2 3.64Å; V164-F166 HydrophobicContact CG1-CZ 3.93Å
165	E	95	Very high	91.5	Very high	7 Å²	7	53.9 Å²	53.9	3%	0.033	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	118.4	175.4	-175.4	169	-152.3	0	0	109.6	H121 I122 L150 R151 L201	H121-E165 IonicContact CD2-OE1 2.88Å; H121-E165 IonicContact NE2-OE1 3.62Å; H121-E165 PolarHBondContact NE2-OE1 3.02Å; H121-E165 VanDerWaalsContact NE2-OE1 3.07Å; I122-E165 HydrophobicContact CD1-CB 4.45Å; I122-E165 HydrophobicContact CD1-CG 4.18Å; I122-E165 HydrophobicContact CG1-CB 3.87Å; I122-E165 HydrophobicContact CG1-CG 3.73Å; L150-E165 HydrophobicContact CB-CB 4.37Å; L150-E165 HydrophobicContact CB-CG 4.14Å; L150-E165 HydrophobicContact CD1-CG 4.21Å; L150-E165 PolarHBondContact N-O 2.82Å; R151-E165 HydrophobicContact CB-CB 4.09Å; R151-E165 VanDerWaalsContact CD-OE2 3.3Å; R151-E165 WeakPolarHBondContact CD-OE2 3.5Å; R151-E165 IonicContact CZ-OE2 3.69Å; R151-E165 IonicContact NE-OE2 3.67Å; R151-E165 IonicContact NH1-OE1 3.18Å; R151-E165 IonicContact NH1-OE2 3.51Å; R151-E165 PolarHBondContact NH1-OE2 2.87Å; R151-E165 PolarHBondContact O-N 3.31Å; E165-L201 HydrophobicContact CB-CD1 3.83Å; E165-L201 HydrophobicContact CB-CG 4.13Å
166	F	93.1	Very high	91.7	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	161.4	174.8	-71.1	-91	0	0	0	111.7	H121 L123 T143 S148 V149 V164 S168 E171 A172 A175	H121-F166 PolarHBondContact CD2-O 2.89Å; H121-F166 WeakPolarHBondContact O-CB 3.49Å; H121-F166 PolarHBondContact O-N 3.3Å; L123-F166 HydrophobicContact CD1-CD2 4.3Å; L123-F166 HydrophobicContact CD1-CE2 3.71Å; L123-F166 HydrophobicContact CG-CD2 4.35Å; L123-F166 HydrophobicContact CG-CE2 4.12Å; T143-F166 HydrophobicContact CG2-CZ 4.04Å; S148-F166 CarbonylContact O-C 3.56Å; S148-F166 VanDerWaalsContact O-CA 3.3Å; S148-F166 WeakPolarHBondContact O-CA 3.35Å; V149-F166 HydrophobicContact CG2-CD1 4.3Å; V149-F166 HydrophobicContact CG2-CE1 3.94Å; V164-F166 HydrophobicContact CB-CE2 4.05Å; V164-F166 HydrophobicContact CG1-CD2 4.18Å; V164-F166 HydrophobicContact CG1-CE2 3.64Å; V164-F166 HydrophobicContact CG1-CZ 3.93Å; F166-S168 PolarHBondContact O-N 2.9Å; F166-E171 HydrophobicContact CB-CB 4.18Å; F166-E171 HydrophobicContact CD1-CB 4.2Å; F166-E171 HydrophobicContact CG-CB 4.46Å; F166-A172 HydrophobicContact CB-CB 4.29Å; F166-A172 HydrophobicContact CD2-CB 4.01Å; F166-A172 HydrophobicContact CG-CB 4.35Å; F166-A175 HydrophobicContact CE1-CB 4.03Å; F166-A175 HydrophobicContact CE2-CB 3.99Å; F166-A175 HydrophobicContact CZ-CB 3.53Å
167	G	89.5	Confident	91.8	Very high	44 Å²	44	47.3 Å²	47.3	45%	0.454	25%	0.252	S	S	.	.	S	Bend	trans	-63.2	-24.7	176.9	0	0	0	0	0	113.7	S148 E171	S148-G167 PolarHBondContact O-N 3.23Å; G167-E171 WeakPolarHBondContact CA-OE2 3.43Å; G167-E171 PolarHBondContact N-OE2 2.99Å
168	S	91.6	Very high	92.3	Very high	43 Å²	43	40.6 Å²	40.6	30%	0.301	22%	0.223	S	C	.	.	S	Bend	trans	-150.9	158.3	-179.5	67.6	0	0	0	0	113.4	F166 Q170 E171 A172	F166-S168 PolarHBondContact O-N 2.9Å; S168-Q170 PolarHBondContact O-N 2.99Å; S168-E171 PolarHBondContact N-OE2 3.24Å; S168-E171 PolarHBondContact O-N 3.3Å; S168-E171 WeakPolarHBondContact OG-CB 3.34Å; S168-E171 VanDerWaalsContact OG-CD 3.3Å; S168-E171 WeakPolarHBondContact OG-CG 3.5Å; S168-E171 PolarHBondContact OG-N 2.85Å; S168-E171 PolarHBondContact OG-OE2 3.12Å; S168-A172 PolarHBondContact O-N 2.87Å; S168-A172 VanDerWaalsContact O-N 3.14Å
169	V	93.6	Very high	93	Very high	48 Å²	48	34.7 Å²	34.7	29%	0.291	18%	0.182	S	C	.	.	H	α-helix	trans	-61.5	-32.7	173.8	179.4	0	0	0	0	111.5	D119 H121 A172 R173	D119-V169 HydrophobicContact CB-CG1 3.32Å; H121-V169 HydrophobicContact CB-CG2 4.13Å; V169-A172 PolarHBondContact O-N 2.85Å; V169-R173 WeakPolarHBondContact O-CG 3.46Å; V169-R173 PolarHBondContact O-N 2.83Å
170	Q	91.3	Very high	93.4	Very high	119 Å²	119	31 Å²	31	56%	0.556	16%	0.164	S	C	*	.	H	α-helix	trans	-71.7	-39.7	-179.2	-169.9	59	31	0	0	112.4	S168 A172 R173 N174	S168-Q170 PolarHBondContact O-N 2.99Å; Q170-A172 VanDerWaalsContact C-N 3.35Å; Q170-R173 PolarHBondContact O-N 2.63Å; Q170-N174 WeakPolarHBondContact O-CB 3.41Å; Q170-N174 PolarHBondContact O-N 2.76Å
171	E	90.6	Very high	93.4	Very high	47 Å²	47	30.1 Å²	30.1	22%	0.22	16%	0.16	C	C	.	.	H	α-helix	trans	-62.5	-43.3	171.8	-72.1	166.7	138	0	0	110.8	G147 S148 F166 G167 S168 N174 A175	G147-E171 WeakPolarHBondContact CA-OE1 3.16Å; S148-E171 PolarHBondContact N-OE1 2.88Å; F166-E171 HydrophobicContact CB-CB 4.18Å; F166-E171 HydrophobicContact CD1-CB 4.2Å; F166-E171 HydrophobicContact CG-CB 4.46Å; G167-E171 WeakPolarHBondContact CA-OE2 3.43Å; G167-E171 PolarHBondContact N-OE2 2.99Å; S168-E171 PolarHBondContact N-OE2 3.24Å; S168-E171 PolarHBondContact O-N 3.3Å; S168-E171 WeakPolarHBondContact OG-CB 3.34Å; S168-E171 VanDerWaalsContact OG-CD 3.3Å; S168-E171 WeakPolarHBondContact OG-CG 3.5Å; S168-E171 PolarHBondContact OG-N 2.85Å; S168-E171 PolarHBondContact OG-OE2 3.12Å; E171-N174 PolarHBondContact O-N 3.38Å; E171-A175 WeakPolarHBondContact O-CB 3.42Å; E171-A175 PolarHBondContact O-N 3Å
172	A	94.2	Very high	93.2	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-62.6	-43.6	176	0	0	0	0	0	112.7	N120 L123 F166 S168 V169 Q170 N174 A175 K176	N120-A172 WeakPolarHBondContact O-CB 3.38Å; L123-A172 HydrophobicContact CD1-CB 4.4Å; L123-A172 WeakPolarHBondContact CD1-O 3.34Å; L123-A172 HydrophobicContact CD2-CB 4.13Å; L123-A172 HydrophobicContact CG-CB 4.06Å; F166-A172 HydrophobicContact CB-CB 4.29Å; F166-A172 HydrophobicContact CD2-CB 4.01Å; F166-A172 HydrophobicContact CG-CB 4.35Å; S168-A172 PolarHBondContact O-N 2.87Å; S168-A172 VanDerWaalsContact O-N 3.14Å; V169-A172 PolarHBondContact O-N 2.85Å; Q170-A172 VanDerWaalsContact C-N 3.35Å; A172-N174 VanDerWaalsContact C-N 3.32Å; A172-N174 PolarHBondContact O-N 3.46Å; A172-A175 PolarHBondContact O-N 2.85Å; A172-K176 WeakPolarHBondContact O-CB 3.43Å; A172-K176 PolarHBondContact O-N 3.15Å
173	R	91.8	Very high	92.8	Very high	100 Å²	100	28.9 Å²	28.9	38%	0.377	16%	0.156	S	C	.	.	H	α-helix	trans	-55	-49.2	172.3	-83.5	174.8	-171.5	144	1.9	111.3	D119 V169 Q170 K176 L177 Y195	D119-R173 HydrophobicContact CB-CG 4.42Å; D119-R173 IonicContact OD1-NE 3.72Å; D119-R173 IonicContact OD2-CZ 3.42Å; D119-R173 IonicContact OD2-NE 2.93Å; D119-R173 PolarHBondContact OD2-NE 2.76Å; D119-R173 IonicContact OD2-NH2 3.78Å; D119-R173 PolarHBondContact OD2-NH2 3.32Å; V169-R173 WeakPolarHBondContact O-CG 3.46Å; V169-R173 PolarHBondContact O-N 2.83Å; Q170-R173 PolarHBondContact O-N 2.63Å; R173-K176 PolarHBondContact O-N 3.5Å; R173-L177 WeakPolarHBondContact O-CB 3.3Å; R173-L177 PolarHBondContact O-N 3.18Å; R173-Y195 WeakPolarHBondContact CG-OH 3.26Å
174	N	91.1	Very high	92.4	Very high	54 Å²	54	27.5 Å²	27.5	29%	0.289	15%	0.149	S	C	.	.	H	α-helix	trans	-63.8	-41.7	-179.4	-174.7	48.3	0	0	0	111.7	Q170 E171 A172 H178	Q170-N174 WeakPolarHBondContact O-CB 3.41Å; Q170-N174 PolarHBondContact O-N 2.76Å; E171-N174 PolarHBondContact O-N 3.38Å; A172-N174 VanDerWaalsContact C-N 3.32Å; A172-N174 PolarHBondContact O-N 3.46Å; N174-H178 PolarHBondContact O-N 2.75Å; N174-H178 PolarHBondContact O-ND1 2.85Å; N174-H178 PolarHBondContact OD1-CE1 3.44Å; N174-H178 PolarHBondContact OD1-ND1 3.32Å
175	A	93.7	Very high	91.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-62.4	-49	175.2	0	0	0	0	0	111.8	L123 Y146 F166 E171 A172 L177 H178 L179	L123-A175 HydrophobicContact CD1-CB 3.87Å; Y146-A175 HydrophobicContact CD2-CB 4.41Å; Y146-A175 HydrophobicContact CG-CB 3.92Å; F166-A175 HydrophobicContact CE1-CB 4.03Å; F166-A175 HydrophobicContact CE2-CB 3.99Å; F166-A175 HydrophobicContact CZ-CB 3.53Å; E171-A175 WeakPolarHBondContact O-CB 3.42Å; E171-A175 PolarHBondContact O-N 3Å; A172-A175 PolarHBondContact O-N 2.85Å; A175-L177 VanDerWaalsContact C-N 3.33Å; A175-L177 PolarHBondContact O-N 3.49Å; A175-H178 PolarHBondContact O-N 3.02Å; A175-L179 HydrophobicContact CB-CD1 4.24Å; A175-L179 VanDerWaalsContact O-CB 3.23Å; A175-L179 WeakPolarHBondContact O-CB 3.45Å; A175-L179 VanDerWaalsContact O-CG 3.25Å; A175-L179 WeakPolarHBondContact O-CG 3.39Å; A175-L179 PolarHBondContact O-N 3.24Å
176	K	95.2	Very high	90.8	Very high	6 Å²	6	30.2 Å²	30.2	3%	0.026	17%	0.165	C	C	.	.	H	α-helix	trans	-55.2	-48.9	177.9	178	177.5	179.1	-77.1	0	111.2	E38 L123 A172 R173 H178 L179 N180 V193 Y195	E38-K176 IonicContact OE1-NZ 3.24Å; E38-K176 PolarHBondContact OE1-NZ 2.88Å; E38-K176 IonicContact OE2-NZ 3.76Å; E38-K176 PolarHBondContact OE2-NZ 3.44Å; L123-K176 HydrophobicContact CD1-CB 4.16Å; L123-K176 HydrophobicContact CD2-CB 4.2Å; A172-K176 WeakPolarHBondContact O-CB 3.43Å; A172-K176 PolarHBondContact O-N 3.15Å; R173-K176 PolarHBondContact O-N 3.5Å; K176-H178 PolarHBondContact O-N 3.11Å; K176-L179 PolarHBondContact O-N 3.08Å; K176-N180 HydrophobicContact CG-CB 4.44Å; K176-N180 WeakPolarHBondContact O-CB 3.3Å; K176-N180 PolarHBondContact O-N 3.08Å; K176-V193 HydrophobicContact CB-CG1 4.23Å; K176-V193 HydrophobicContact CG-CB 4.45Å; K176-V193 HydrophobicContact CG-CG1 4.15Å; K176-Y195 HydrophobicContact CD-CD2 4.48Å; K176-Y195 HydrophobicContact CD-CE2 4Å
177	L	92.5	Very high	90.1	Very high	43 Å²	43	33 Å²	33	23%	0.225	19%	0.194	C	C	.	.	H	α-helix	trans	-55.2	-38.8	-177.6	-173	62.8	0	0	0	112.7	E38 F39 V42 R173 A175	E38-L177 HydrophobicContact CG-CD1 4.19Å; F39-L177 HydrophobicContact CB-CD1 4.25Å; F39-L177 HydrophobicContact CB-CG 4Å; F39-L177 WeakPolarHBondContact CB-O 3.25Å; F39-L177 HydrophobicContact CD2-CD1 4.46Å; F39-L177 HydrophobicContact CD2-CD2 3.84Å; F39-L177 HydrophobicContact CD2-CG 3.92Å; F39-L177 HydrophobicContact CG-CG 4.48Å; F39-L177 PolarHBondContact N-O 2.99Å; V42-L177 HydrophobicContact CB-CD1 4.24Å; V42-L177 HydrophobicContact CG2-CD1 3.91Å; R173-L177 WeakPolarHBondContact O-CB 3.3Å; R173-L177 PolarHBondContact O-N 3.18Å; A175-L177 VanDerWaalsContact C-N 3.33Å; A175-L177 PolarHBondContact O-N 3.49Å
178	H	92	Very high	89.9	Confident	44 Å²	44	31.3 Å²	31.3	20%	0.204	18%	0.175	C	C	.	.	H	α-helix	trans	-96.9	-16.1	-175.3	-63.5	89.5	0	0	0	114.6	F39 Y146 N174 A175 K176	F39-H178 AromaticContact CD2-NE2 3.96Å; Y146-H178 HydrophobicContact CD1-CB 4.44Å; Y146-H178 HydrophobicContact CE1-CB 3.47Å; Y146-H178 VanDerWaalsContact CE1-CB 3.47Å; Y146-H178 AromaticContact CE1-CG 3.72Å; Y146-H178 AromaticContact CE1-ND1 3.88Å; Y146-H178 WeakPolarHBondContact OH-CB 3.27Å; N174-H178 PolarHBondContact O-N 2.75Å; N174-H178 PolarHBondContact O-ND1 2.85Å; N174-H178 PolarHBondContact OD1-CE1 3.44Å; N174-H178 PolarHBondContact OD1-ND1 3.32Å; A175-H178 PolarHBondContact O-N 3.02Å; K176-H178 PolarHBondContact O-N 3.11Å
179	L	94.2	Very high	89.7	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-107.2	-23.3	-176.1	-63.8	175.9	0	0	0	113.4	F125 T143 Y146 A175 K176 G181 A182 L191 V193 L233	F125-L179 HydrophobicContact CE2-CD1 4.11Å; F125-L179 HydrophobicContact CZ-CD1 3.82Å; T143-L179 HydrophobicContact CG2-CD1 3.94Å; Y146-L179 HydrophobicContact CD2-CD1 3.94Å; Y146-L179 HydrophobicContact CD2-CG 4.28Å; Y146-L179 HydrophobicContact CE2-CD1 3.97Å; Y146-L179 HydrophobicContact CE2-CD2 3.74Å; Y146-L179 HydrophobicContact CE2-CG 3.85Å; A175-L179 HydrophobicContact CB-CD1 4.24Å; A175-L179 VanDerWaalsContact O-CB 3.23Å; A175-L179 WeakPolarHBondContact O-CB 3.45Å; A175-L179 VanDerWaalsContact O-CG 3.25Å; A175-L179 WeakPolarHBondContact O-CG 3.39Å; A175-L179 PolarHBondContact O-N 3.24Å; K176-L179 PolarHBondContact O-N 3.08Å; L179-G181 PolarHBondContact O-N 2.94Å; L179-G181 VanDerWaalsContact O-N 3.17Å; L179-A182 WeakPolarHBondContact O-CB 3.32Å; L179-A182 PolarHBondContact O-N 3.3Å; L179-L191 HydrophobicContact CB-CD1 4.32Å; L179-L191 WeakPolarHBondContact O-CB 3.32Å; L179-V193 HydrophobicContact CB-CG2 4.3Å; L179-L233 HydrophobicContact CD2-CD1 3.72Å; L179-L233 HydrophobicContact CD2-CD2 3.66Å; L179-L233 HydrophobicContact CD2-CG 4.37Å
180	N	94.3	Very high	89.6	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	113.8	-178.8	-163.7	10	0	0	0	111	V37 E38 M56 K176 K192 V193	V37-N180 CarbonylContact C-O 3.45Å; V37-N180 VanDerWaalsContact CA-O 3.26Å; V37-N180 WeakPolarHBondContact CA-O 3.49Å; E38-N180 HydrophobicContact CB-CB 3.9Å; E38-N180 PolarHBondContact N-O 3.03Å; E38-N180 WeakPolarHBondContact OE2-CB 3.35Å; E38-N180 PolarHBondContact OE2-ND2 3.09Å; M56-N180 HydrophobicContact CG-CB 4.31Å; M56-N180 WeakPolarHBondContact CG-ND2 3.22Å; K176-N180 HydrophobicContact CG-CB 4.44Å; K176-N180 WeakPolarHBondContact O-CB 3.3Å; K176-N180 PolarHBondContact O-N 3.08Å; N180-K192 WeakPolarHBondContact OD1-CA 3.47Å; N180-V193 HydrophobicContact CB-CB 3.91Å; N180-V193 HydrophobicContact CB-CG2 4.27Å; N180-V193 PolarHBondContact ND2-O 2.87Å; N180-V193 VanDerWaalsContact ND2-O 3.11Å; N180-V193 PolarHBondContact OD1-N 3.48Å
181	G	92.6	Very high	89.7	Confident	2 Å²	2	22.1 Å²	22.1	2%	0.021	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.5	-5.3	-172.7	0	0	0	0	0	115	L179 L191	L179-G181 PolarHBondContact O-N 2.94Å; L179-G181 VanDerWaalsContact O-N 3.17Å; G181-L191 VanDerWaalsContact CA-O 3.24Å; G181-L191 WeakPolarHBondContact CA-O 3.28Å; G181-L191 PolarHBondContact N-O 3.24Å
182	A	90.5	Very high	89.9	Confident	8 Å²	8	21.7 Å²	21.7	7%	0.066	12%	0.122	C	C	.	.			trans	-81.3	148.4	-178.6	0	0	0	0	0	112.4	V37 L179 L191 L233	V37-A182 HydrophobicContact CG1-CB 3.78Å; L179-A182 WeakPolarHBondContact O-CB 3.32Å; L179-A182 PolarHBondContact O-N 3.3Å; A182-L191 WeakPolarHBondContact O-CB 3.32Å; A182-L191 WeakPolarHBondContact O-CG 3.36Å; A182-L191 PolarHBondContact O-N 3.19Å; A182-L233 HydrophobicContact CB-CD1 3.89Å; A182-L233 HydrophobicContact CB-CD2 4.22Å; A182-L233 HydrophobicContact CB-CG 4.16Å
183	D	89.2	Confident	89.9	Confident	13 Å²	13	21.7 Å²	21.7	7%	0.07	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	129.5	173.1	-66.3	-25.9	0	0	0	110.9	H35 F185 T190 S232 L233	H35-D183 IonicContact CE1-OD2 3.07Å; H35-D183 IonicContact ND1-OD2 2.87Å; D183-F185 WeakPolarHBondContact CB-O 3.46Å; D183-T190 WeakPolarHBondContact OD1-CA 3.32Å; D183-T190 VanDerWaalsContact OD1-CB 3.23Å; D183-T190 WeakPolarHBondContact OD1-CB 3.45Å; D183-T190 WeakPolarHBondContact OD1-CG2 3.47Å; D183-T190 PolarHBondContact OD1-OG1 3.05Å; D183-S232 CarbonylContact O-C 3.59Å; D183-S232 WeakPolarHBondContact O-CA 3.48Å; D183-L233 VanDerWaalsContact O-CG 3.31Å; D183-L233 WeakPolarHBondContact O-CG 3.27Å; D183-L233 PolarHBondContact O-N 2.97Å
184	I	86.9	Confident	90	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	-48.3	174.1	-62.6	177.6	0	0	0	110.1	I127 I134 T138 I139 I142 C189 L191 S232 L233 L234	I127-I184 HydrophobicContact CG1-CD1 4.18Å; I127-I184 HydrophobicContact CG2-CD1 4.18Å; I134-I184 HydrophobicContact CD1-CD1 3.62Å; I134-I184 HydrophobicContact CD1-CG2 4.41Å; T138-I184 HydrophobicContact CG2-CG2 3.58Å; I139-I184 HydrophobicContact CD1-CD1 4.12Å; I142-I184 HydrophobicContact CD1-CD1 4.1Å; I142-I184 HydrophobicContact CD1-CG1 3.92Å; I142-I184 HydrophobicContact CG2-CG2 4.36Å; I184-C189 HydrophobicContact CB-CB 3.78Å; I184-C189 HydrophobicContact CD1-CB 4.25Å; I184-C189 HydrophobicContact CG1-CB 4.27Å; I184-C189 WeakPolarHBondContact CG1-O 3.15Å; I184-C189 PolarHBondContact N-O 3.27Å; I184-C189 VanDerWaalsContact N-O 3.08Å; I184-L191 HydrophobicContact CD1-CD2 3.74Å; I184-L191 HydrophobicContact CD1-CG 4.31Å; I184-L191 HydrophobicContact CG1-CD1 4.07Å; I184-L191 HydrophobicContact CG1-CD2 3.91Å; I184-L191 HydrophobicContact CG1-CG 3.9Å; I184-S232 PolarHBondContact O-OG 2.73Å; I184-L233 HydrophobicContact CG1-CD1 4.44Å; I184-L233 PolarHBondContact O-N 3.05Å; I184-L233 VanDerWaalsContact O-N 3.16Å; I184-L234 HydrophobicContact CG2-CD1 3.6Å; I184-L234 HydrophobicContact CG2-CG 4Å; I184-L234 PolarHBondContact O-N 2.85Å
185	F	82.5	Confident	90.1	Very high	23 Å²	23	17.2 Å²	17.2	10%	0.101	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	156.7	-180	-59.1	-75.8	0	0	0	110.4	R132 I134 T138 D183 G187 C188 C189 S232 L234	R132-F185 HydrophobicContact CB-CD2 3.59Å; R132-F185 HydrophobicContact CB-CE2 3.44Å; R132-F185 VanDerWaalsContact CB-CE2 3.44Å; R132-F185 HydrophobicContact CB-CG 4.26Å; R132-F185 HydrophobicContact CB-CZ 4.01Å; R132-F185 VanDerWaalsContact CD-CG 3.45Å; R132-F185 HydrophobicContact CG-CD2 4.23Å; R132-F185 HydrophobicContact CG-CE2 4.44Å; R132-F185 HydrophobicContact CG-CG 4.46Å; I134-F185 HydrophobicContact CD1-CE2 3.75Å; T138-F185 HydrophobicContact CG2-CE2 4.19Å; T138-F185 HydrophobicContact CG2-CZ 3.77Å; D183-F185 WeakPolarHBondContact CB-O 3.46Å; F185-G187 PolarHBondContact O-N 3Å; F185-C188 PolarHBondContact N-O 3Å; F185-C188 PolarHBondContact O-N 2.87Å; F185-C189 HydrophobicContact CD2-CB 3.77Å; F185-C189 VanDerWaalsContact CD2-SG 3.58Å; F185-C189 HydrophobicContact CE2-CB 4.38Å; F185-S232 WeakPolarHBondContact CA-OG 3.39Å; F185-S232 PolarHBondContact N-OG 2.84Å; F185-L234 HydrophobicContact CD1-CB 4.27Å; F185-L234 HydrophobicContact CD1-CD1 4.22Å; F185-L234 HydrophobicContact CE1-CB 4.34Å; F185-L234 HydrophobicContact CE1-CD1 3.62Å; F185-L234 HydrophobicContact CZ-CD1 4Å
186	P	76.9	Confident	90.1	Very high	40 Å²	40	17.6 Å²	17.6	26%	0.26	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	109	-173.2	-24.5	33.6	0	0	0	111.2	S232 Y236	P186-S232 VanDerWaalsContact CD-CB 3.48Å; P186-S232 WeakPolarHBondContact CD-OG 3.46Å; P186-S232 VanDerWaalsContact N-OG 3.08Å; P186-Y236 HydrophobicContact CG-CD2 4.2Å; P186-Y236 HydrophobicContact CG-CE2 4.35Å
187	G	78.6	Confident	89.7	Confident	59 Å²	59	24.7 Å²	24.7	61%	0.608	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.5	11.8	178.7	0	0	0	0	0	116.9	F185	F185-G187 PolarHBondContact O-N 3Å
188	C	84.3	Confident	89.5	Confident	9 Å²	9	25 Å²	25	6%	0.061	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	176.1	174.3	70	0	0	0	0	113	D131 F185	D131-C188 HydrophobicContact CB-CB 4.45Å; F185-C188 PolarHBondContact N-O 3Å; F185-C188 PolarHBondContact O-N 2.87Å
189	C	88.2	Confident	89.1	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	58.7	47.2	-176.9	-63.4	0	0	0	0	112.7	I127 Y128 D129 I134 I184 F185	I127-C189 HydrophobicContact CG2-CB 3.85Å; Y128-C189 CarbonylContact O-C 3.55Å; Y128-C189 WeakPolarHBondContact O-CA 3.21Å; Y128-C189 PolarHBondContact O-N 3.34Å; D129-C189 PolarHBondContact O-N 3.16Å; I134-C189 HydrophobicContact CD1-CB 4.06Å; I184-C189 HydrophobicContact CB-CB 3.78Å; I184-C189 HydrophobicContact CD1-CB 4.25Å; I184-C189 HydrophobicContact CG1-CB 4.27Å; I184-C189 WeakPolarHBondContact CG1-O 3.15Å; I184-C189 PolarHBondContact N-O 3.27Å; I184-C189 VanDerWaalsContact N-O 3.08Å; F185-C189 HydrophobicContact CD2-CB 3.77Å; F185-C189 VanDerWaalsContact CD2-SG 3.58Å; F185-C189 HydrophobicContact CE2-CB 4.38Å
190	T	90.6	Very high	88.6	Confident	16 Å²	16	34 Å²	34	10%	0.098	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	132.8	-177.9	-47.6	0	0	0	0	111.8	P58 Y128 D183	P58-T190 HydrophobicContact CB-CG2 3.48Å; P58-T190 VanDerWaalsContact CB-CG2 3.48Å; P58-T190 HydrophobicContact CG-CG2 4.19Å; Y128-T190 PolarHBondContact N-O 3.08Å; Y128-T190 PolarHBondContact O-N 2.82Å; Y128-T190 VanDerWaalsContact O-N 3.1Å; D183-T190 WeakPolarHBondContact OD1-CA 3.32Å; D183-T190 VanDerWaalsContact OD1-CB 3.23Å; D183-T190 WeakPolarHBondContact OD1-CB 3.45Å; D183-T190 WeakPolarHBondContact OD1-CG2 3.47Å; D183-T190 PolarHBondContact OD1-OG1 3.05Å
191	L	94.2	Very high	88.3	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	133.7	-177.8	-65.6	175.3	0	0	0	112.5	F125 I127 I142 L179 G181 A182 I184 V193 L233	F125-L191 HydrophobicContact CB-CD2 4.29Å; F125-L191 HydrophobicContact CD2-CD1 4.09Å; F125-L191 HydrophobicContact CD2-CD2 3.68Å; F125-L191 HydrophobicContact CD2-CG 4.48Å; F125-L191 HydrophobicContact CE2-CD1 4.07Å; F125-L191 HydrophobicContact CE2-CD2 4.47Å; F125-L191 HydrophobicContact CG-CD2 4.4Å; I127-L191 HydrophobicContact CG1-CD2 3.66Å; I142-L191 HydrophobicContact CD1-CD1 3.83Å; L179-L191 HydrophobicContact CB-CD1 4.32Å; L179-L191 WeakPolarHBondContact O-CB 3.32Å; G181-L191 VanDerWaalsContact CA-O 3.24Å; G181-L191 WeakPolarHBondContact CA-O 3.28Å; G181-L191 PolarHBondContact N-O 3.24Å; A182-L191 WeakPolarHBondContact O-CB 3.32Å; A182-L191 WeakPolarHBondContact O-CG 3.36Å; A182-L191 PolarHBondContact O-N 3.19Å; I184-L191 HydrophobicContact CD1-CD2 3.74Å; I184-L191 HydrophobicContact CD1-CG 4.31Å; I184-L191 HydrophobicContact CG1-CD1 4.07Å; I184-L191 HydrophobicContact CG1-CD2 3.91Å; I184-L191 HydrophobicContact CG1-CG 3.9Å; L191-V193 HydrophobicContact CB-CG2 4.12Å; L191-L233 HydrophobicContact CD1-CD1 3.69Å
192	K	94.5	Very high	88.1	Confident	38 Å²	38	39 Å²	39	17%	0.165	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	123.4	152.9	175.6	176.5	-169.2	-82.7	0	108.7	M56 F125 T126 Y128 N180 D194	M56-K192 VanDerWaalsContact O-CE 3.29Å; M56-K192 WeakPolarHBondContact O-CE 3.35Å; F125-K192 CarbonylContact C-O 3.47Å; F125-K192 WeakPolarHBondContact CA-O 3.46Å; T126-K192 PolarHBondContact N-O 3.03Å; T126-K192 PolarHBondContact O-N 3.43Å; Y128-K192 HydrophobicContact CD2-CB 4.5Å; Y128-K192 HydrophobicContact CE2-CB 3.67Å; Y128-K192 HydrophobicContact CE2-CD 4.32Å; N180-K192 WeakPolarHBondContact OD1-CA 3.47Å; K192-D194 IonicContact NZ-OD1 3.78Å; K192-D194 PolarHBondContact NZ-OD1 2.88Å; K192-D194 IonicContact NZ-OD2 3.06Å; K192-D194 PolarHBondContact NZ-OD2 3.45Å
193	V	95.2	Very high	87.9	Confident	0 Å²	0	39 Å²	39	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	122.1	-174.2	-173.4	0	0	0	0	109.5	L123 L124 F125 K176 L179 N180 L191	L123-V193 HydrophobicContact CB-CG1 4.02Å; L123-V193 HydrophobicContact CD1-CG1 3.87Å; L123-V193 HydrophobicContact CD2-CG1 4.32Å; L123-V193 HydrophobicContact CG-CG1 4.3Å; L124-V193 WeakPolarHBondContact O-CA 3.41Å; F125-V193 HydrophobicContact CD1-CG1 3.97Å; F125-V193 HydrophobicContact CD1-CG2 4.18Å; F125-V193 HydrophobicContact CD2-CG2 4.41Å; F125-V193 HydrophobicContact CE1-CG1 3.77Å; F125-V193 HydrophobicContact CE1-CG2 4.21Å; F125-V193 HydrophobicContact CE2-CG2 4.45Å; F125-V193 HydrophobicContact CG-CG2 4.26Å; F125-V193 HydrophobicContact CZ-CG1 4.47Å; F125-V193 HydrophobicContact CZ-CG2 4.34Å; K176-V193 HydrophobicContact CB-CG1 4.23Å; K176-V193 HydrophobicContact CG-CB 4.45Å; K176-V193 HydrophobicContact CG-CG1 4.15Å; L179-V193 HydrophobicContact CB-CG2 4.3Å; N180-V193 HydrophobicContact CB-CB 3.91Å; N180-V193 HydrophobicContact CB-CG2 4.27Å; N180-V193 PolarHBondContact ND2-O 2.87Å; N180-V193 VanDerWaalsContact ND2-O 3.11Å; N180-V193 PolarHBondContact OD1-N 3.48Å; L191-V193 HydrophobicContact CB-CG2 4.12Å
194	D	93.3	Very high	87.3	Confident	26 Å²	26	43.2 Å²	43.2	14%	0.139	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	162.8	176.4	-59.8	-68	0	0	0	109.4	L123 L124 K192 A196	L123-D194 WeakPolarHBondContact CA-O 3.24Å; L124-D194 PolarHBondContact N-O 3.25Å; L124-D194 PolarHBondContact O-N 3.32Å; K192-D194 IonicContact NZ-OD1 3.78Å; K192-D194 PolarHBondContact NZ-OD1 2.88Å; K192-D194 IonicContact NZ-OD2 3.06Å; K192-D194 PolarHBondContact NZ-OD2 3.45Å; D194-A196 PolarHBondContact O-N 2.98Å
195	Y	93.2	Very high	86.9	Confident	35 Å²	35	50.4 Å²	50.4	14%	0.137	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	132.7	168.5	-69.2	-66.8	0	0	0	110.5	D119 N120 L123 R173 K176	D119-Y195 HydrophobicContact CB-CE1 4.1Å; D119-Y195 HydrophobicContact CB-CE2 4.25Å; D119-Y195 WeakPolarHBondContact OD1-CE2 3.32Å; D119-Y195 PolarHBondContact OD1-OH 3.38Å; N120-Y195 HydrophobicContact CB-CD1 4.04Å; N120-Y195 HydrophobicContact CB-CG 4.44Å; N120-Y195 WeakPolarHBondContact O-CD1 3.32Å; N120-Y195 VanDerWaalsContact O-CE1 3.28Å; N120-Y195 WeakPolarHBondContact O-CE1 3.5Å; L123-Y195 HydrophobicContact CD2-CD1 3.59Å; L123-Y195 HydrophobicContact CD2-CE1 3.7Å; R173-Y195 WeakPolarHBondContact CG-OH 3.26Å; K176-Y195 HydrophobicContact CD-CD2 4.48Å; K176-Y195 HydrophobicContact CD-CE2 4Å
196	A	92.9	Very high	86.9	Confident	7 Å²	7	52.2 Å²	52.2	6%	0.058	29%	0.286	C	S	.	.			trans	-73.7	155.5	176.9	0	0	0	0	0	110.5	N120 I122 L124 M163 D194	N120-A196 PolarHBondContact ND2-O 3.32Å; I122-A196 HydrophobicContact CB-CB 3.91Å; I122-A196 HydrophobicContact CG2-CB 3.44Å; I122-A196 VanDerWaalsContact CG2-CB 3.44Å; I122-A196 WeakPolarHBondContact O-CB 3.41Å; I122-A196 PolarHBondContact O-N 3.18Å; L124-A196 HydrophobicContact CB-CB 4.21Å; M163-A196 HydrophobicContact CE-CB 4.09Å; D194-A196 PolarHBondContact O-N 2.98Å
197	R	86.5	Confident	87.2	Confident	155 Å²	155	52.2 Å²	52.2	59%	0.585	28%	0.283	S	S	*	.	S	Bend	trans	-76.8	-41.3	174.4	-70.5	-179.2	168.6	160.2	-2.5	114.4	A104 A105	A104-R197 VanDerWaalsContact C-NH2 3.27Å; A104-R197 HydrophobicContact CB-CG 4.49Å; A104-R197 VanDerWaalsContact CB-NE 3.3Å; A104-R197 PolarHBondContact O-NH2 3.06Å; A105-R197 PolarHBondContact O-NH1 3.29Å
198	P	87.9	Confident	87.4	Confident	50 Å²	50	55.2 Å²	55.2	33%	0.325	28%	0.282	S	S	.	.			trans	-64.9	142.5	-179.4	-20.4	33.7	0	0	0	110.8	N120 I122 M163 R200	N120-P198 PolarHBondContact ND2-O 2.75Å; I122-P198 VanDerWaalsContact CD1-O 3.29Å; I122-P198 WeakPolarHBondContact CD1-O 3.27Å; M163-P198 HydrophobicContact CE-CG 4.2Å; M163-P198 HydrophobicContact SD-CG 4.28Å; P198-R200 VanDerWaalsContact C-N 3.32Å
199	A	84.1	Confident	87.5	Confident	76 Å²	76	56 Å²	56	63%	0.628	29%	0.285	S	S	*	.	S	Bend	trans	-81.9	-11.9	171.2	0	0	0	0	0	113	H121 I122	H121-A199 PolarHBondContact CE1-O 3.11Å; H121-A199 PolarHBondContact NE2-O 3.2Å; I122-A199 VanDerWaalsContact CD1-C 3.46Å
200	R	84.5	Confident	87.6	Confident	156 Å²	156	57 Å²	57	59%	0.589	29%	0.29	S	S	*	.	S	Bend	trans	-151.8	143.4	178	-166.1	170.9	-174.5	-91.5	-1.2	110.7	I122 P198	I122-R200 VanDerWaalsContact CD1-CA 3.49Å; P198-R200 VanDerWaalsContact C-N 3.32Å
201	L	87.7	Confident	87.6	Confident	8 Å²	8	58.5 Å²	58.5	4%	0.042	29%	0.294	C	S	.	.			trans	-90.5	140.1	172.8	-63.2	-176.4	0	0	0	111.5	I122 R151 V153 M163 E165	I122-L201 HydrophobicContact CD1-CD2 4.28Å; I122-L201 HydrophobicContact CD1-CG 3.97Å; I122-L201 HydrophobicContact CG1-CG 4.44Å; I122-L201 HydrophobicContact CG2-CD1 4.09Å; I122-L201 HydrophobicContact CG2-CD2 3.92Å; I122-L201 HydrophobicContact CG2-CG 4Å; R151-L201 HydrophobicContact CB-CB 4.1Å; R151-L201 HydrophobicContact CB-CD1 4.21Å; R151-L201 VanDerWaalsContact CD-O 3.31Å; R151-L201 WeakPolarHBondContact CD-O 3.32Å; V153-L201 HydrophobicContact CG2-CB 4.46Å; V153-L201 HydrophobicContact CG2-CD1 4.46Å; M163-L201 HydrophobicContact CB-CD1 3.71Å; M163-L201 HydrophobicContact CB-CD2 3.71Å; M163-L201 HydrophobicContact CB-CG 4.38Å; M163-L201 HydrophobicContact CG-CD2 4.3Å; M163-L201 HydrophobicContact SD-CD2 3.64Å; E165-L201 HydrophobicContact CB-CD1 3.83Å; E165-L201 HydrophobicContact CB-CG 4.13Å
202	S	88	Confident	87.2	Confident	100 Å²	100	58.6 Å²	58.6	70%	0.699	30%	0.295	S	S	*	.			trans	-103.9	119.3	171.9	-174	0	0	0	0	109.1
203	V	86.4	Confident	86.7	Confident	9 Å²	9	58 Å²	58	6%	0.055	29%	0.292	C	S	.	.			trans	-110.3	108.1	177.6	174.3	0	0	0	0	108	R151 V153 R205 N210 D212	R151-V203 HydrophobicContact CB-CG2 3.96Å; R151-V203 HydrophobicContact CG-CG2 4.07Å; V153-V203 HydrophobicContact CG2-CG2 3.77Å; V203-R205 VanDerWaalsContact CG1-O 3.26Å; V203-R205 WeakPolarHBondContact CG1-O 3.46Å; V203-N210 HydrophobicContact CG1-CB 4.13Å; V203-D212 HydrophobicContact CB-CB 3.92Å; V203-D212 HydrophobicContact CG1-CB 3.93Å; V203-D212 HydrophobicContact CG2-CB 4.21Å
204	P	77.8	Confident	86	Confident	100 Å²	100	63.3 Å²	63.3	65%	0.649	32%	0.317	S	S	*	.	S	Bend	trans	-75.3	-28.7	-176.8	28.2	-33.2	0	0	0	112.9
205	R	78.4	Confident	84.9	Confident	151 Å²	151	69.1 Å²	69.1	57%	0.57	34%	0.341	S	S	*	.	S	Bend	trans	-157.3	157.6	179.9	65	-173.4	-172.3	-87.4	-14.8	110	V203 D207 N210	V203-R205 VanDerWaalsContact CG1-O 3.26Å; V203-R205 WeakPolarHBondContact CG1-O 3.46Å; R205-D207 IonicContact CZ-OD2 3.1Å; R205-D207 IonicContact NE-OD2 2.68Å; R205-D207 PolarHBondContact NE-OD2 3.37Å; R205-D207 IonicContact NH2-OD2 2.77Å; R205-D207 PolarHBondContact NH2-OD2 2.79Å; R205-N210 VanDerWaalsContact O-CB 3.25Å; R205-N210 WeakPolarHBondContact O-CB 3.46Å
206	N	81.1	Confident	83.1	Confident	62 Å²	62	69.4 Å²	69.4	33%	0.332	35%	0.348	S	S	.	.			trans	-92	117.1	172.1	-74	2.6	0	0	0	109.5	N210 W211 D212	N206-N210 CarbonylContact C-O 3.46Å; N206-N210 VanDerWaalsContact CA-O 3.24Å; N206-N210 WeakPolarHBondContact CA-O 3.18Å; N206-W211 HydrophobicContact CB-CD2 3.88Å; N206-W211 HydrophobicContact CB-CE3 3.7Å; N206-W211 HydrophobicContact CB-CH2 4.21Å; N206-W211 HydrophobicContact CB-CZ2 4.36Å; N206-W211 HydrophobicContact CB-CZ3 3.88Å; N206-D212 PolarHBondContact ND2-O 2.92Å; N206-D212 PolarHBondContact OD1-N 2.93Å
207	D	83	Confident	80.7	Confident	39 Å²	39	78.8 Å²	78.8	21%	0.209	39%	0.391	C	S	.	.	S	Bend	trans	-153.7	-170	178.3	66.5	19	0	0	0	111.5	R205 D209 N210	R205-D207 IonicContact CZ-OD2 3.1Å; R205-D207 IonicContact NE-OD2 2.68Å; R205-D207 PolarHBondContact NE-OD2 3.37Å; R205-D207 IonicContact NH2-OD2 2.77Å; R205-D207 PolarHBondContact NH2-OD2 2.79Å; D207-D209 PolarHBondContact O-N 2.88Å; D207-D209 VanDerWaalsContact O-N 3.09Å; D207-D209 WeakPolarHBondContact OD1-CA 3.23Å; D207-D209 PolarHBondContact OD1-N 3.24Å; D207-N210 PolarHBondContact N-O 3.42Å; D207-N210 VanDerWaalsContact O-O 3.08Å; D207-N210 PolarHBondContact OD1-N 2.61Å; D207-N210 PolarHBondContact OD1-ND2 3.49Å
208	Q	83.2	Confident	78.6	Confident	123 Å²	123	81.7 Å²	81.7	58%	0.575	40%	0.401	S	S	*	.	S	Bend	trans	-62.1	-15.4	-179.6	71.5	175	10.1	0	0	114.8	T135 V136	T135-Q208 CarbonylContact C-O 3.54Å; T135-Q208 WeakPolarHBondContact CA-O 3.46Å; V136-Q208 WeakPolarHBondContact CG2-O 3.32Å; V136-Q208 PolarHBondContact N-O 2.99Å
209	D	87.3	Confident	76.6	Confident	26 Å²	26	82.8 Å²	82.8	14%	0.139	41%	0.405	C	S	.	.	S	Bend	trans	-117.2	-20.4	-174	-71.3	-24.3	0	0	0	112.7	V153 I154 R156 D207	V153-D209 CarbonylContact C-O 3.54Å; I154-D209 HydrophobicContact CB-CB 4.25Å; I154-D209 WeakPolarHBondContact CB-O 3.3Å; I154-D209 PolarHBondContact N-O 2.7Å; R156-D209 IonicContact CZ-OD1 2.95Å; R156-D209 IonicContact NE-OD1 3.91Å; R156-D209 PolarHBondContact NE-OD1 3.46Å; R156-D209 IonicContact NE-OD2 3.14Å; R156-D209 PolarHBondContact NE-OD2 2.96Å; R156-D209 IonicContact NH2-OD1 3.12Å; R156-D209 PolarHBondContact NH2-OD1 2.93Å; D207-D209 PolarHBondContact O-N 2.88Å; D207-D209 VanDerWaalsContact O-N 3.09Å; D207-D209 WeakPolarHBondContact OD1-CA 3.23Å; D207-D209 PolarHBondContact OD1-N 3.24Å
210	N	89.9	Confident	74.6	Confident	19 Å²	19	81.8 Å²	81.8	10%	0.102	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	131.6	-174	-50.1	-93.4	0	0	0	109	I152 V203 R205 N206 D207	I152-N210 CarbonylContact O-C 3.55Å; I152-N210 WeakPolarHBondContact O-CA 3.2Å; V203-N210 HydrophobicContact CG1-CB 4.13Å; R205-N210 VanDerWaalsContact O-CB 3.25Å; R205-N210 WeakPolarHBondContact O-CB 3.46Å; N206-N210 CarbonylContact C-O 3.46Å; N206-N210 VanDerWaalsContact CA-O 3.24Å; N206-N210 WeakPolarHBondContact CA-O 3.18Å; D207-N210 PolarHBondContact N-O 3.42Å; D207-N210 VanDerWaalsContact O-O 3.08Å; D207-N210 PolarHBondContact OD1-N 2.61Å; D207-N210 PolarHBondContact OD1-ND2 3.49Å
211	W	89.7	Confident	72.9	Confident	48 Å²	48	76.5 Å²	76.5	18%	0.182	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	132.7	178.1	-155.8	-82.7	0	0	0	112.4	V136 R151 I152 N206 F213 P220 F221	V136-W211 HydrophobicContact CB-CB 4.4Å; V136-W211 HydrophobicContact CG1-CB 3.47Å; V136-W211 VanDerWaalsContact CG1-CB 3.47Å; V136-W211 HydrophobicContact CG1-CD2 4.49Å; V136-W211 HydrophobicContact CG1-CG 4.03Å; V136-W211 HydrophobicContact CG2-CB 4.11Å; R151-W211 CarbonylContact C-O 3.52Å; R151-W211 VanDerWaalsContact CA-O 3.28Å; R151-W211 WeakPolarHBondContact CA-O 3.48Å; I152-W211 PolarHBondContact N-O 2.89Å; I152-W211 PolarHBondContact O-N 2.8Å; N206-W211 HydrophobicContact CB-CD2 3.88Å; N206-W211 HydrophobicContact CB-CE3 3.7Å; N206-W211 HydrophobicContact CB-CH2 4.21Å; N206-W211 HydrophobicContact CB-CZ2 4.36Å; N206-W211 HydrophobicContact CB-CZ3 3.88Å; W211-F213 HydrophobicContact CB-CE2 4.08Å; W211-F213 HydrophobicContact CB-CZ 4.17Å; W211-F213 AromaticContact CD1-CD1 3.55Å; W211-F213 AromaticContact CD1-CD2 3.84Å; W211-F213 AromaticContact CD1-CE1 3.44Å; W211-F213 VanDerWaalsContact CD1-CE1 3.44Å; W211-F213 AromaticContact CD1-CE2 3.72Å; W211-F213 AromaticContact CD1-CG 3.74Å; W211-F213 AromaticContact CD1-CZ 3.51Å; W211-F213 HydrophobicContact CG-CE1 4.24Å; W211-F213 HydrophobicContact CG-CE2 4.2Å; W211-F213 AromaticContact CG-CZ 3.98Å; W211-F213 HydrophobicContact CG-CZ 3.98Å; W211-F213 AromaticContact NE1-CD1 3.81Å; W211-F213 AromaticContact NE1-CE1 3.79Å; W211-P220 HydrophobicContact CZ2-CB 4.32Å; W211-P220 HydrophobicContact CZ2-CG 3.76Å; W211-F221 HydrophobicContact CZ2-CE2 4.15Å
212	D	87.3	Confident	70.5	Confident	3 Å²	3	79.2 Å²	79.2	2%	0.016	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	106.4	173	-166	-24.9	0	0	0	108.2	R151 V203 N206 E214 K215	R151-D212 HydrophobicContact CG-CB 4.34Å; R151-D212 IonicContact CZ-OD1 3.61Å; R151-D212 IonicContact CZ-OD2 3.53Å; R151-D212 VanDerWaalsContact NE-CG 3.31Å; R151-D212 IonicContact NE-OD1 2.95Å; R151-D212 PolarHBondContact NE-OD1 3.28Å; R151-D212 IonicContact NE-OD2 3.33Å; R151-D212 PolarHBondContact NE-OD2 2.8Å; R151-D212 IonicContact NH2-OD1 3.8Å; R151-D212 PolarHBondContact NH2-OD1 2.9Å; R151-D212 IonicContact NH2-OD2 2.72Å; R151-D212 PolarHBondContact NH2-OD2 2.85Å; V203-D212 HydrophobicContact CB-CB 3.92Å; V203-D212 HydrophobicContact CG1-CB 3.93Å; V203-D212 HydrophobicContact CG2-CB 4.21Å; N206-D212 PolarHBondContact ND2-O 2.92Å; N206-D212 PolarHBondContact OD1-N 2.93Å; D212-E214 VanDerWaalsContact C-N 3.32Å; D212-E214 WeakPolarHBondContact OD1-CB 3.23Å; D212-E214 PolarHBondContact OD1-N 3.03Å; D212-K215 HydrophobicContact CB-CB 4.41Å; D212-K215 HydrophobicContact CB-CD 4.15Å; D212-K215 HydrophobicContact CB-CG 4.32Å; D212-K215 VanDerWaalsContact OD2-CE 3.25Å; D212-K215 WeakPolarHBondContact OD2-CE 3.48Å; D212-K215 IonicContact OD2-NZ 3.45Å
213	F	84.1	Confident	67.6	Low	25 Å²	25	76.4 Å²	76.4	11%	0.11	37%	0.369	C	S	.	.	S	Bend	trans	-76.5	-21.7	-177.2	-64.1	-87.9	0	0	0	111.9	V136 Y140 V149 L150 I152 W211 K215 C216 F221	V136-F213 HydrophobicContact CG1-CZ 4.06Å; Y140-F213 HydrophobicContact CD2-CD1 4.21Å; Y140-F213 HydrophobicContact CD2-CD2 4.47Å; Y140-F213 AromaticContact CD2-CE1 3.45Å; Y140-F213 HydrophobicContact CD2-CE1 3.45Å; Y140-F213 VanDerWaalsContact CD2-CE1 3.45Å; Y140-F213 AromaticContact CD2-CE2 3.78Å; Y140-F213 HydrophobicContact CD2-CE2 3.78Å; Y140-F213 AromaticContact CD2-CZ 3.21Å; Y140-F213 HydrophobicContact CD2-CZ 3.21Å; Y140-F213 AromaticContact CE2-CD1 3.85Å; Y140-F213 HydrophobicContact CE2-CD1 3.85Å; Y140-F213 AromaticContact CE2-CE1 3.5Å; Y140-F213 HydrophobicContact CE2-CE1 3.5Å; Y140-F213 VanDerWaalsContact CE2-CE1 3.5Å; Y140-F213 HydrophobicContact CE2-CE2 4.24Å; Y140-F213 HydrophobicContact CE2-CG 4.36Å; Y140-F213 AromaticContact CE2-CZ 3.73Å; Y140-F213 HydrophobicContact CE2-CZ 3.73Å; Y140-F213 HydrophobicContact CG-CE1 4.1Å; Y140-F213 AromaticContact CG-CZ 3.87Å; Y140-F213 HydrophobicContact CG-CZ 3.87Å; V149-F213 HydrophobicContact CG1-CD2 4.13Å; V149-F213 HydrophobicContact CG1-CE2 4.03Å; V149-F213 WeakPolarHBondContact O-CB 3.46Å; L150-F213 WeakPolarHBondContact O-CB 3.37Å; L150-F213 PolarHBondContact O-N 3.41Å; I152-F213 HydrophobicContact CB-CE2 4.39Å; I152-F213 HydrophobicContact CD1-CE2 3.78Å; I152-F213 HydrophobicContact CD1-CZ 4.04Å; I152-F213 HydrophobicContact CG1-CE2 3.92Å; W211-F213 HydrophobicContact CB-CE2 4.08Å; W211-F213 HydrophobicContact CB-CZ 4.17Å; W211-F213 AromaticContact CD1-CD1 3.55Å; W211-F213 AromaticContact CD1-CD2 3.84Å; W211-F213 AromaticContact CD1-CE1 3.44Å; W211-F213 VanDerWaalsContact CD1-CE1 3.44Å; W211-F213 AromaticContact CD1-CE2 3.72Å; W211-F213 AromaticContact CD1-CG 3.74Å; W211-F213 AromaticContact CD1-CZ 3.51Å; W211-F213 HydrophobicContact CG-CE1 4.24Å; W211-F213 HydrophobicContact CG-CE2 4.2Å; W211-F213 AromaticContact CG-CZ 3.98Å; W211-F213 HydrophobicContact CG-CZ 3.98Å; W211-F213 AromaticContact NE1-CD1 3.81Å; W211-F213 AromaticContact NE1-CE1 3.79Å; F213-K215 VanDerWaalsContact C-N 3.27Å; F213-K215 PolarHBondContact O-N 2.81Å; F213-C216 PolarHBondContact O-N 2.79Å; F213-F221 HydrophobicContact CE1-CD2 4.06Å; F213-F221 HydrophobicContact CE1-CE2 4.27Å
214	E	79.9	Confident	65	Low	111 Å²	111	78.9 Å²	78.9	52%	0.519	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-23.3	176.4	-60.6	-170.1	102.8	0	0	112.4	L150 R151 D212	L150-E214 HydrophobicContact CB-CG 4.2Å; L150-E214 HydrophobicContact CD2-CG 3.94Å; R151-E214 IonicContact CZ-OE2 3.28Å; R151-E214 IonicContact NH1-OE2 2.89Å; R151-E214 PolarHBondContact NH1-OE2 3.42Å; R151-E214 IonicContact NH2-OE2 3.67Å; R151-E214 PolarHBondContact NH2-OE2 2.77Å; D212-E214 VanDerWaalsContact C-N 3.32Å; D212-E214 WeakPolarHBondContact OD1-CB 3.23Å; D212-E214 PolarHBondContact OD1-N 3.03Å
215	K	70.2	Confident	62.6	Low	148 Å²	148	77.4 Å²	77.4	64%	0.643	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	1	-179.4	-68.3	-178.9	-176.1	170.4	0	114.1	D212 F213	D212-K215 HydrophobicContact CB-CB 4.41Å; D212-K215 HydrophobicContact CB-CD 4.15Å; D212-K215 HydrophobicContact CB-CG 4.32Å; D212-K215 VanDerWaalsContact OD2-CE 3.25Å; D212-K215 WeakPolarHBondContact OD2-CE 3.48Å; D212-K215 IonicContact OD2-NZ 3.45Å; F213-K215 VanDerWaalsContact C-N 3.27Å; F213-K215 PolarHBondContact O-N 2.81Å
216	C	55.7	Low	60.3	Low	41 Å²	41	72.8 Å²	72.8	28%	0.277	35%	0.35	S	S	.	.			trans	-107.6	116	175.3	-75.6	0	0	0	0	110	F213 R218 P220	F213-C216 PolarHBondContact O-N 2.79Å; C216-R218 WeakPolarHBondContact CB-O 3.47Å; C216-R218 PolarHBondContact O-N 2.97Å; C216-P220 HydrophobicContact CB-CG 4.41Å
217	E	42.4	Very low	57.7	Low	205 Å²	205	71.7 Å²	71.7	96%	0.958	35%	0.354	S	S	*	.	S	Bend	trans	-66.7	0.6	173.8	-70.6	-174	160.1	0	0	113.9
218	R	42.7	Very low	55.2	Low	215 Å²	215	72.3 Å²	72.3	81%	0.811	36%	0.355	S	S	*	.	S	Bend	trans	-136.2	127.9	170.2	-65.7	-176.9	-163.5	-176.1	4.8	107.8	C216 P220	C216-R218 WeakPolarHBondContact CB-O 3.47Å; C216-R218 PolarHBondContact O-N 2.97Å; R218-P220 WeakPolarHBondContact O-CD 3.44Å
219	D	44.8	Very low	52.5	Low	74 Å²	74	72 Å²	72	40%	0.396	35%	0.35	S	S	.	.			trans	-54.6	107	163.1	-178.1	-13.6	0	0	0	107.6	F221 C222	D219-F221 PolarHBondContact O-N 2.84Å; D219-F221 VanDerWaalsContact O-N 3.08Å; D219-F221 PolarHBondContact OD1-N 3.28Å; D219-C222 HydrophobicContact CB-CB 3.95Å; D219-C222 PolarHBondContact O-SG 2.89Å; D219-C222 PolarHBondContact OD1-N 2.85Å; D219-C222 VanDerWaalsContact OD1-N 3.16Å
220	P	42.4	Very low	49.7	Very low	54 Å²	54	75.1 Å²	75.1	35%	0.351	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-10.5	-173.6	-5.8	20.5	0	0	0	111.5	W211 C216 R218	W211-P220 HydrophobicContact CZ2-CB 4.32Å; W211-P220 HydrophobicContact CZ2-CG 3.76Å; C216-P220 HydrophobicContact CB-CG 4.41Å; R218-P220 WeakPolarHBondContact O-CD 3.44Å
221	F	48.9	Very low	47.4	Very low	45 Å²	45	77.7 Å²	77.7	20%	0.197	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131.6	18.6	-168.7	-53.6	-77.3	0	0	0	113.6	Y140 W211 F213 D219 N223 F224	Y140-F221 HydrophobicContact CD1-CB 4.32Å; Y140-F221 HydrophobicContact CE1-CB 4.05Å; W211-F221 HydrophobicContact CZ2-CE2 4.15Å; F213-F221 HydrophobicContact CE1-CD2 4.06Å; F213-F221 HydrophobicContact CE1-CE2 4.27Å; D219-F221 PolarHBondContact O-N 2.84Å; D219-F221 VanDerWaalsContact O-N 3.08Å; D219-F221 PolarHBondContact OD1-N 3.28Å; F221-N223 PolarHBondContact O-N 3.49Å; F221-F224 PolarHBondContact O-N 3.4Å
222	C	36.1	Very low	45.2	Very low	65 Å²	65	75.7 Å²	75.7	44%	0.439	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	18.2	169.6	55.9	0	0	0	0	114.9	D219 T400 A401	D219-C222 HydrophobicContact CB-CB 3.95Å; D219-C222 PolarHBondContact O-SG 2.89Å; D219-C222 PolarHBondContact OD1-N 2.85Å; D219-C222 VanDerWaalsContact OD1-N 3.16Å; C222-T400 WeakPolarHBondContact O-CB 3.46Å; C222-A401 PolarHBondContact O-N 3.25Å
223	N	28.8	Very low	43.3	Very low	41 Å²	41	76.3 Å²	76.3	22%	0.219	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.3	-7.9	-165.7	-103	-12.7	0	0	0	111.5	F221 T400 A401 I402	F221-N223 PolarHBondContact O-N 3.49Å; N223-T400 VanDerWaalsContact CA-CB 3.49Å; N223-T400 WeakPolarHBondContact O-CB 3.49Å; N223-T400 PolarHBondContact O-OG1 3.25Å; N223-A401 WeakPolarHBondContact OD1-CA 3.28Å; N223-A401 WeakPolarHBondContact OD1-CB 3.44Å; N223-I402 HydrophobicContact CB-CB 4.25Å; N223-I402 HydrophobicContact CB-CD1 3.45Å; N223-I402 VanDerWaalsContact CB-CD1 3.45Å; N223-I402 HydrophobicContact CB-CG1 3.46Å; N223-I402 VanDerWaalsContact CB-CG1 3.46Å; N223-I402 VanDerWaalsContact CG-CG1 3.43Å; N223-I402 WeakPolarHBondContact O-CB 3.39Å; N223-I402 PolarHBondContact O-N 3.04Å; N223-I402 VanDerWaalsContact O-N 3.17Å; N223-I402 PolarHBondContact OD1-N 3.18Å
224	F	31.4	Very low	41.2	Very low	61 Å²	61	75.6 Å²	75.6	27%	0.268	37%	0.371	S	S	.	.			trans	-126	103	169.7	-63.2	-86.2	0	0	0	117	F221 T400 I402	F221-F224 PolarHBondContact O-N 3.4Å; F224-T400 VanDerWaalsContact C-OG1 3.26Å; F224-T400 WeakPolarHBondContact CA-OG1 3.35Å; F224-T400 VanDerWaalsContact N-CB 3.26Å; F224-T400 PolarHBondContact N-OG1 2.96Å; F224-I402 HydrophobicContact CD1-CD1 4.27Å; F224-I402 HydrophobicContact CD2-CD1 3.84Å; F224-I402 HydrophobicContact CE1-CD1 3.71Å; F224-I402 HydrophobicContact CE2-CD1 3.22Å; F224-I402 HydrophobicContact CG-CD1 4.34Å; F224-I402 HydrophobicContact CZ-CD1 3.16Å
225	Q	27	Very low	39.3	Very low	69 Å²	69	71.1 Å²	71.1	32%	0.322	36%	0.355	S	S	.	.			trans	-119.4	61.2	168.3	-96.2	151.3	-84.3	0	0	107.8	F144 G227 T399 T400 M403	F144-Q225 HydrophobicContact CE2-CG 3.68Å; F144-Q225 HydrophobicContact CZ-CB 4.36Å; F144-Q225 HydrophobicContact CZ-CG 3.74Å; Q225-G227 VanDerWaalsContact C-N 3.3Å; Q225-G227 PolarHBondContact O-N 3.04Å; Q225-T399 HydrophobicContact CB-CG2 4.2Å; Q225-T399 WeakPolarHBondContact CB-OG1 3.37Å; Q225-T399 PolarHBondContact NE2-O 3.06Å; Q225-T399 VanDerWaalsContact NE2-O 3.15Å; Q225-T399 PolarHBondContact O-OG1 3.17Å; Q225-T399 PolarHBondContact OE1-O 3.27Å; Q225-T400 HydrophobicContact CB-CG2 3.54Å; Q225-T400 HydrophobicContact CG-CG2 3.59Å; Q225-T400 VanDerWaalsContact N-CB 3.32Å; Q225-T400 PolarHBondContact N-OG1 3.22Å; Q225-T400 VanDerWaalsContact OE1-N 3.07Å; Q225-M403 HydrophobicContact CB-SD 4.44Å; Q225-M403 WeakPolarHBondContact O-CE 3.31Å
226	D	30.7	Very low	37.4	Very low	55 Å²	55	73.2 Å²	73.2	29%	0.294	36%	0.36	S	S	.	.			trans	-87	90.1	158	-90.5	-51.1	0	0	0	106.7	H228 M403	D226-H228 IonicContact OD1-CD2 3.28Å; D226-H228 IonicContact OD1-NE2 2.92Å; D226-M403 HydrophobicContact CB-SD 4.14Å; D226-M403 PolarHBondContact N-SD 2.66Å; D226-M403 VanDerWaalsContact N-SD 3.38Å; D226-M403 WeakPolarHBondContact OD1-CE 3.24Å
227	G	25.5	Very low	36.5	Very low	39 Å²	39	75.7 Å²	75.7	40%	0.402	37%	0.368	S	S	.	.			trans	-71	123.2	155	0	0	0	0	0	106.8	Q225 R394	Q225-G227 VanDerWaalsContact C-N 3.3Å; Q225-G227 PolarHBondContact O-N 3.04Å; G227-R394 VanDerWaalsContact O-CA 3.23Å; G227-R394 WeakPolarHBondContact O-CA 3.04Å; G227-R394 WeakPolarHBondContact O-CB 3.19Å
228	H	31.5	Very low	36.1	Very low	51 Å²	51	71.2 Å²	71.2	24%	0.236	35%	0.351	C	S	.	.			trans	-148.3	90	165.7	-86.4	-72.1	0	0	0	108.5	D226 Q230 R394	D226-H228 IonicContact OD1-CD2 3.28Å; D226-H228 IonicContact OD1-NE2 2.92Å; H228-Q230 PolarHBondContact O-N 3.1Å; H228-Q230 VanDerWaalsContact O-N 3.17Å; H228-R394 WeakPolarHBondContact ND1-CB 3.41Å; H228-R394 VanDerWaalsContact ND1-CD 3.33Å; H228-R394 WeakPolarHBondContact ND1-CD 3.35Å
229	Y	26.4	Very low	35.4	Very low	118 Å²	118	68.7 Å²	68.7	46%	0.463	35%	0.349	S	S	.	.			trans	-74	95.3	157.7	-88.3	-88.7	0	0	0	108.8	Y146 L233 R394	Y146-Y229 PolarHBondContact OH-OH 3.43Å; Y229-L233 HydrophobicContact CE1-CD2 3.76Å; Y229-L233 HydrophobicContact CE2-CD2 4.27Å; Y229-L233 VanDerWaalsContact CZ-CD2 3.48Å; Y229-L233 WeakPolarHBondContact OH-CD2 3.26Å; Y229-R394 PolarHBondContact O-NH1 2.96Å
230	Q	28.9	Very low	34.6	Very low	91 Å²	91	67.3 Å²	67.3	43%	0.425	35%	0.352	S	S	.	.	S	Bend	trans	-140.4	111.3	145	-81	-120.4	-45.4	0	0	107	H228 S232	H228-Q230 PolarHBondContact O-N 3.1Å; H228-Q230 VanDerWaalsContact O-N 3.17Å; Q230-S232 PolarHBondContact O-N 2.78Å
231	N	41.6	Very low	34.2	Very low	73 Å²	73	73.6 Å²	73.6	39%	0.39	38%	0.376	S	S	.	.	S	Bend	trans	46.5	7.2	174.6	-59.9	0	0	0	0	118.3	Y487	N231-Y487 HydrophobicContact CB-CE1 4.4Å
232	S	43.8	Very low	33.2	Very low	6 Å²	6	80 Å²	80	4%	0.042	40%	0.401	C	S	.	.	S	Bend	trans	-166.1	149.5	171.4	144.2	0	0	0	0	111.4	D183 I184 F185 P186 Q230 L234	D183-S232 CarbonylContact O-C 3.59Å; D183-S232 WeakPolarHBondContact O-CA 3.48Å; I184-S232 PolarHBondContact O-OG 2.73Å; F185-S232 WeakPolarHBondContact CA-OG 3.39Å; F185-S232 PolarHBondContact N-OG 2.84Å; P186-S232 VanDerWaalsContact CD-CB 3.48Å; P186-S232 WeakPolarHBondContact CD-OG 3.46Å; P186-S232 VanDerWaalsContact N-OG 3.08Å; Q230-S232 PolarHBondContact O-N 2.78Å; S232-L234 PolarHBondContact O-N 3.19Å; S232-L234 PolarHBondContact OG-N 3.26Å
233	L	45.7	Very low	32.8	Very low	15 Å²	15	84.1 Å²	84.1	8%	0.079	42%	0.418	C	S	.	.	S	Bend	trans	-71.7	-23	-174.7	-61.4	165.9	0	0	0	114.6	I142 L179 A182 D183 I184 L191 Y229	I142-L233 HydrophobicContact CB-CB 4.07Å; I142-L233 HydrophobicContact CB-CD1 4.01Å; I142-L233 HydrophobicContact CD1-CD1 4.08Å; I142-L233 HydrophobicContact CG2-CB 3.4Å; I142-L233 HydrophobicContact CG2-CD1 4.01Å; I142-L233 HydrophobicContact CG2-CG 4.3Å; L179-L233 HydrophobicContact CD2-CD1 3.72Å; L179-L233 HydrophobicContact CD2-CD2 3.66Å; L179-L233 HydrophobicContact CD2-CG 4.37Å; A182-L233 HydrophobicContact CB-CD1 3.89Å; A182-L233 HydrophobicContact CB-CD2 4.22Å; A182-L233 HydrophobicContact CB-CG 4.16Å; D183-L233 VanDerWaalsContact O-CG 3.31Å; D183-L233 WeakPolarHBondContact O-CG 3.27Å; D183-L233 PolarHBondContact O-N 2.97Å; I184-L233 HydrophobicContact CG1-CD1 4.44Å; I184-L233 PolarHBondContact O-N 3.05Å; I184-L233 VanDerWaalsContact O-N 3.16Å; L191-L233 HydrophobicContact CD1-CD1 3.69Å; Y229-L233 HydrophobicContact CE1-CD2 3.76Å; Y229-L233 HydrophobicContact CE2-CD2 4.27Å; Y229-L233 VanDerWaalsContact CZ-CD2 3.48Å; Y229-L233 WeakPolarHBondContact OH-CD2 3.26Å
234	L	40.6	Very low	32.8	Very low	10 Å²	10	92.6 Å²	92.6	5%	0.052	45%	0.449	C	S	.	.	S	Bend	trans	-111.9	-6.4	-176.1	-65.2	-175.5	0	0	0	115.5	T138 R141 I142 I184 F185 S232	T138-L234 HydrophobicContact CG2-CD1 3.41Å; T138-L234 VanDerWaalsContact CG2-CD1 3.41Å; R141-L234 HydrophobicContact CB-CD2 3.56Å; I142-L234 HydrophobicContact CG2-CD1 4.37Å; I142-L234 HydrophobicContact CG2-CD2 3.5Å; I142-L234 VanDerWaalsContact CG2-CD2 3.5Å; I142-L234 HydrophobicContact CG2-CG 3.73Å; I184-L234 HydrophobicContact CG2-CD1 3.6Å; I184-L234 HydrophobicContact CG2-CG 4Å; I184-L234 PolarHBondContact O-N 2.85Å; F185-L234 HydrophobicContact CD1-CB 4.27Å; F185-L234 HydrophobicContact CD1-CD1 4.22Å; F185-L234 HydrophobicContact CE1-CB 4.34Å; F185-L234 HydrophobicContact CE1-CD1 3.62Å; F185-L234 HydrophobicContact CZ-CD1 4Å; S232-L234 PolarHBondContact O-N 3.19Å; S232-L234 PolarHBondContact OG-N 3.26Å
235	G	40	Very low	32.5	Very low	18 Å²	18	97.9 Å²	97.9	19%	0.186	47%	0.474	C	S	.	.			trans	60.3	-175.5	-173.3	0	0	0	0	0	113.3	M237	G235-M237 PolarHBondContact O-N 3.46Å
236	Y	31	Very low	32.5	Very low	191 Å²	191	102.9 Å²	102.9	75%	0.749	50%	0.497	S	S	*	.			trans	-71.9	105.1	171.3	-99.5	-94.6	0	0	0	109.3	P186	P186-Y236 HydrophobicContact CG-CD2 4.2Å; P186-Y236 HydrophobicContact CG-CE2 4.35Å
237	M	37	Very low	32.5	Very low	93 Å²	93	105.4 Å²	105.4	46%	0.458	52%	0.517	S	S	.	.			trans	-87.5	135.7	166.2	-89.8	-154.4	152.8	0	0	111.3	R141 G235 E239	R141-M237 PolarHBondContact NH1-SD 2.95Å; G235-M237 PolarHBondContact O-N 3.46Å; M237-E239 PolarHBondContact O-N 2.98Å
238	D	33.6	Very low	32.5	Very low	111 Å²	111	114.7 Å²	114.7	59%	0.594	54%	0.541	S	S	*	.			trans	-64.2	108.2	175.6	-166.2	12	0	0	0	110.4	G240 K454	D238-G240 PolarHBondContact O-N 3.3Å; D238-K454 VanDerWaalsContact OD1-CE 3.27Å; D238-K454 WeakPolarHBondContact OD1-CE 3.33Å; D238-K454 IonicContact OD1-NZ 2.64Å; D238-K454 PolarHBondContact OD1-NZ 3.31Å
239	E	27.3	Very low	32.5	Very low	162 Å²	162	115.3 Å²	115.3	76%	0.757	56%	0.561	S	S	*	*			trans	-61.4	90.4	160.2	-92.3	-176.2	152.7	0	0	108.5	M237	M237-E239 PolarHBondContact O-N 2.98Å
240	G	28.8	Very low	32.5	Very low	46 Å²	46	118.7 Å²	118.7	47%	0.474	58%	0.582	S	S	.	*			trans	-164.6	34.6	-178.7	0	0	0	0	0	112.9	D238	D238-G240 PolarHBondContact O-N 3.3Å
241	H	32.7	Very low	32.6	Very low	185 Å²	185	125 Å²	125	86%	0.856	60%	0.603	S	S	*	*			trans	-158.4	63.4	161.9	-89.7	-38.9	0	0	0	111
242	Y	29.8	Very low	32.1	Very low	180 Å²	180	127.4 Å²	127.4	71%	0.706	62%	0.623	S	S	*	*			trans	-117.2	56	153.2	-76.3	-70.9	0	0	0	108.6
243	D	27	Very low	31.3	Very low	152 Å²	152	137.3 Å²	137.3	81%	0.813	66%	0.66	S	S	*	*			trans	-101.3	93	160.8	-87.8	-32.6	0	0	0	108.5	E245	D243-E245 PolarHBondContact O-N 3.05Å; D243-E245 VanDerWaalsContact O-N 3.11Å
244	Y	28.3	Very low	30.5	Very low	218 Å²	218	144.7 Å²	144.7	86%	0.855	70%	0.695	S	S	*	*			trans	-74	75.6	163.2	-126.5	-88.2	0	0	0	107.8
245	E	25.7	Very low	30	Very low	173 Å²	173	151.4 Å²	151.4	81%	0.808	73%	0.73	S	S	*	*			trans	-128.6	93.5	158.9	-79.4	-160.3	154.2	0	0	109.5	D243 P247	D243-E245 PolarHBondContact O-N 3.05Å; D243-E245 VanDerWaalsContact O-N 3.11Å; E245-P247 WeakPolarHBondContact O-CD 3.43Å
246	H	26.3	Very low	29.6	Very low	173 Å²	173	154.7 Å²	154.7	80%	0.801	75%	0.751	S	S	*	*			trans	-81.3	109.9	153.4	-91.4	-72.4	0	0	0	108.5
247	P	30.9	Very low	29.7	Very low	108 Å²	108	153.1 Å²	153.1	70%	0.701	76%	0.755	S	S	*	*			trans	-93.5	120.7	146.3	25	-13.9	0	0	0	108.2	E245 G249	E245-P247 WeakPolarHBondContact O-CD 3.43Å; P247-G249 PolarHBondContact O-N 2.94Å
248	Y	26.6	Very low	29.5	Very low	234 Å²	234	154.8 Å²	154.8	92%	0.918	77%	0.766	S	S	*	*			trans	-51.2	101.8	163.5	-87.6	-98	0	0	0	109.4
249	G	31	Very low	29.6	Very low	64 Å²	64	159.4 Å²	159.4	66%	0.66	78%	0.777	S	S	*	*			trans	-103.7	111.3	170.5	0	0	0	0	0	109.7	P247	P247-G249 PolarHBondContact O-N 2.94Å
250	Q	26	Very low	29.8	Very low	190 Å²	190	154.7 Å²	154.7	89%	0.888	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-56.8	129.1	176.9	-68.5	168.3	-5.2	0	0	111.8
251	Y	30.2	Very low	30.1	Very low	224 Å²	224	161.8 Å²	161.8	88%	0.878	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-89.3	124.1	158	-76.3	-82	0	0	0	108.6
252	P	32.9	Very low	30.2	Very low	123 Å²	123	157.5 Å²	157.5	80%	0.799	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-80.3	140.7	178.8	31.1	-30.7	0	0	0	111.1
253	Y	26.3	Very low	30.3	Very low	213 Å²	213	159.6 Å²	159.6	84%	0.835	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-72.1	156.2	164.4	-119.8	-98.5	0	0	0	110.4
254	E	28.1	Very low	30.7	Very low	171 Å²	171	158 Å²	158	80%	0.799	79%	0.786	S	S	*	*			trans	75.8	105.3	161	-60.9	-174.7	162.4	0	0	120.2
255	N	31.5	Very low	31	Very low	150 Å²	150	152.7 Å²	152.7	80%	0.802	78%	0.781	S	S	*	*				177.4	107	111.9	-116.8	-29.6	0	0	0	107.9
256	S	31.2	Very low	31.1	Very low	88 Å²	88	151 Å²	151	62%	0.615	77%	0.774	S	S	*	*				90.1	124.6	87.7	67.9	0	0	0	0	113.6
257	N	32.7	Very low	31.3	Very low	158 Å²	158	148.2 Å²	148.2	85%	0.845	77%	0.773	S	S	*	*			trans	136.2	122.9	167.9	-73.3	-14.1	0	0	0	107.2
258	D	32.8	Very low	31.4	Very low	127 Å²	127	150.7 Å²	150.7	68%	0.679	77%	0.773	S	S	*	*			cis	-169.6	142.5	-4.6	-162.6	20.8	0	0	0	106.7
259	Y	35	Very low	31.8	Very low	209 Å²	209	147.4 Å²	147.4	82%	0.82	77%	0.771	S	S	*	*			trans	27.4	111.2	172.8	-70.6	-79.1	0	0	0	122.6
260	G	31.3	Very low	31.9	Very low	62 Å²	62	151.2 Å²	151.2	64%	0.639	78%	0.775	S	S	*	*				61.9	104.4	87.8	0	0	0	0	0	120.1
261	H	35.6	Very low	32.3	Very low	195 Å²	195	148.5 Å²	148.5	90%	0.903	77%	0.774	S	S	*	*			trans	89.2	137.3	144.4	-71.5	-71.9	0	0	0	122.2
262	P	35.8	Very low	32.5	Very low	95 Å²	95	144 Å²	144	62%	0.617	77%	0.77	S	S	*	*			trans	-107.9	153.8	-173	43.4	-34.2	0	0	0	115
263	Y	30.2	Very low	32.5	Very low	224 Å²	224	141.2 Å²	141.2	88%	0.878	76%	0.763	S	S	*	*			trans	75.2	147.1	157.3	-64.3	-66.2	0	0	0	122.1
264	P	37.2	Very low	32.9	Very low	118 Å²	118	136.5 Å²	136.5	77%	0.766	76%	0.759	S	S	*	*			trans	-131.5	167.6	-143.3	36.8	-15	0	0	0	115
265	S	32.7	Very low	33.2	Very low	108 Å²	108	137.2 Å²	137.2	76%	0.755	76%	0.762	S	S	*	*			trans	177.3	141.7	169.1	156.9	0	0	0	0	106.8
266	E	28.3	Very low	33.1	Very low	138 Å²	138	138.1 Å²	138.1	65%	0.645	77%	0.766	S	S	*	*			cis	-168.6	143.6	-3.4	-103.7	-169.9	178.5	0	0	104.5	K268	E266-K268 IonicContact OE1-NZ 3.63Å; E266-K268 IonicContact OE2-NZ 2.78Å; E266-K268 PolarHBondContact OE2-NZ 3.33Å; E266-K268 VanDerWaalsContact OE2-NZ 3.14Å
267	S	31.5	Very low	33.2	Very low	114 Å²	114	141.1 Å²	141.1	80%	0.797	77%	0.774	S	S	*	*			trans	176.3	87.5	143.5	29.2	0	0	0	0	107.9
268	K	32.6	Very low	33.3	Very low	159 Å²	159	139.2 Å²	139.2	69%	0.691	77%	0.77	S	S	*	*				44.4	97.3	91.9	-72.3	176.9	-178.1	148.8	0	112.5	E266	E266-K268 IonicContact OE1-NZ 3.63Å; E266-K268 IonicContact OE2-NZ 2.78Å; E266-K268 PolarHBondContact OE2-NZ 3.33Å; E266-K268 VanDerWaalsContact OE2-NZ 3.14Å
269	N	35.4	Very low	33.1	Very low	166 Å²	166	138.2 Å²	138.2	89%	0.888	78%	0.78	S	S	*	*				-162.5	115.1	122.9	-87.9	-29	0	0	0	109.8
270	I	32.4	Very low	33.1	Very low	143 Å²	143	135.1 Å²	135.1	73%	0.733	78%	0.777	S	S	*	*			trans	-102.7	153	167	-60.9	164.5	0	0	0	106.1	V272	I270-V272 HydrophobicContact CG2-CG2 3.87Å
271	P	35.3	Very low	33.2	Very low	133 Å²	133	139.1 Å²	139.1	86%	0.864	78%	0.783	S	S	*	*				-128.8	140.7	125.6	13.6	6.5	0	0	0	113.4
272	V	32.7	Very low	33	Very low	131 Å²	131	134 Å²	134	79%	0.794	78%	0.783	S	S	*	*			trans	-75.8	138.9	-173	175.6	0	0	0	0	111.2	I270	I270-V272 HydrophobicContact CG2-CG2 3.87Å
273	G	33.8	Very low	32.6	Very low	64 Å²	64	133.5 Å²	133.5	66%	0.66	79%	0.787	S	S	*	*			trans	-126.4	147.3	156	0	0	0	0	0	109.3
274	P	35.5	Very low	32.8	Very low	114 Å²	114	131.3 Å²	131.3	74%	0.74	78%	0.784	S	S	*	*			trans	-96.4	123.3	-152	34.6	-29.4	0	0	0	112.9
275	H	33.9	Very low	32.3	Very low	186 Å²	186	132.4 Å²	132.4	86%	0.861	78%	0.784	S	S	*	*			trans	-139	115.9	151.1	-82.2	-52.4	0	0	0	110.5	I277	H275-I277 PolarHBondContact O-N 2.56Å
276	N	29.8	Very low	32.4	Very low	169 Å²	169	137.2 Å²	137.2	90%	0.904	79%	0.785	S	S	*	*			trans	-51.1	113.7	161.7	-88.9	-30.1	0	0	0	110
277	I	32.9	Very low	32.6	Very low	150 Å²	150	136.4 Å²	136.4	77%	0.769	79%	0.786	S	S	*	*			trans	-136.1	114.1	153.8	-50.3	178.2	0	0	0	106.6	H275 A279	H275-I277 PolarHBondContact O-N 2.56Å; I277-A279 PolarHBondContact O-N 3.02Å
278	P	35.6	Very low	32.7	Very low	118 Å²	118	141.2 Å²	141.2	77%	0.766	79%	0.786	S	S	*	*			trans	-69.2	118.3	176.2	-11.1	25.6	0	0	0	109.6	L280	P278-L280 VanDerWaalsContact C-N 3.31Å; P278-L280 PolarHBondContact O-N 2.82Å
279	A	28.4	Very low	32.8	Very low	107 Å²	107	140.6 Å²	140.6	88%	0.884	79%	0.791	S	S	*	*			trans	-70.2	91.5	159.6	0	0	0	0	0	108.3	I277	I277-A279 PolarHBondContact O-N 3.02Å
280	L	33.3	Very low	33.3	Very low	144 Å²	144	136.9 Å²	136.9	75%	0.754	78%	0.777	S	S	*	*			trans	-128	114.4	163.1	-161.7	82.9	0	0	0	107.2	P278	P278-L280 VanDerWaalsContact C-N 3.31Å; P278-L280 PolarHBondContact O-N 2.82Å
281	N	33.7	Very low	34.4	Very low	146 Å²	146	135 Å²	135	78%	0.781	77%	0.769	S	S	*	*			trans	57.7	106.8	173.2	-65.1	-22.1	0	0	0	114.9	A283	N281-A283 PolarHBondContact O-N 3.19Å
282	G	31.4	Very low	36.1	Very low	86 Å²	86	130.7 Å²	130.7	89%	0.887	74%	0.742	S	S	*	*			trans	-59.7	75.1	165.8	0	0	0	0	0	111.6	Q284	G282-Q284 PolarHBondContact O-N 2.82Å
283	A	28.4	Very low	38.8	Very low	85 Å²	85	124.9 Å²	124.9	70%	0.702	71%	0.707	S	S	*	*			trans	-59	89.7	141.8	0	0	0	0	0	105.7	N281 N285	N281-A283 PolarHBondContact O-N 3.19Å; A283-N285 PolarHBondContact O-N 3.35Å
284	Q	33.8	Very low	41.6	Very low	178 Å²	178	122.7 Å²	122.7	83%	0.832	68%	0.683	S	S	*	*			trans	-54.1	95.3	140.4	-86.3	-167.5	-19.4	0	0	105.3	G282 R286	G282-Q284 PolarHBondContact O-N 2.82Å; Q284-R286 PolarHBondContact O-N 2.85Å
285	N	27.9	Very low	44.4	Very low	141 Å²	141	117.3 Å²	117.3	75%	0.754	65%	0.647	S	S	*	*			trans	-60.2	75.2	162.3	-143.7	-10.4	0	0	0	105.4	A283 N287	A283-N285 PolarHBondContact O-N 3.35Å; N285-N287 PolarHBondContact O-N 2.73Å
286	R	33.3	Very low	47.4	Very low	209 Å²	209	108.4 Å²	108.4	79%	0.789	61%	0.606	S	S	*	*			trans	-59.5	90.5	150	-90.5	-171.9	167.5	-177.5	-3.6	103.1	Q284 R288	Q284-R286 PolarHBondContact O-N 2.85Å; R286-R288 PolarHBondContact O-N 3.2Å
287	N	32.6	Very low	50.6	Low	121 Å²	121	101.2 Å²	101.2	65%	0.647	57%	0.567	S	S	*	*			trans	-45.1	89.5	149.3	-113.1	-22.3	0	0	0	105.8	N285 N289	N285-N287 PolarHBondContact O-N 2.73Å; N287-N289 PolarHBondContact O-N 2.72Å
288	R	34.2	Very low	53.6	Low	215 Å²	215	94.2 Å²	94.2	81%	0.811	53%	0.532	S	S	*	.			trans	-70.6	42.4	163.1	-82.9	-174.3	166.8	-178.1	-3	108.8	R286	R286-R288 PolarHBondContact O-N 3.2Å
289	N	33.7	Very low	56.5	Low	147 Å²	147	90.6 Å²	90.6	79%	0.786	50%	0.503	S	S	*	.			trans	-89.3	17	165	-88.6	1.3	0	0	0	111.2	N287	N287-N289 PolarHBondContact O-N 2.72Å
290	S	46.8	Very low	59.8	Low	87 Å²	87	89.8 Å²	89.8	61%	0.608	48%	0.484	S	S	*	.			trans	-116.8	83.8	164.7	-173.4	0	0	0	0	108	S292	S290-S292 PolarHBondContact O-N 3.21Å; S290-S292 WeakPolarHBondContact OG-CB 3.4Å
291	N	54.4	Low	62.7	Low	104 Å²	104	83.4 Å²	83.4	56%	0.556	45%	0.45	S	S	*	.			trans	-69	61.3	163.1	-78.2	-8.1	0	0	0	108.6	T293	N291-T293 VanDerWaalsContact C-N 3.35Å; N291-T293 PolarHBondContact O-N 3.39Å; N291-T293 VanDerWaalsContact O-N 3.08Å
292	S	72.7	Confident	65.6	Low	43 Å²	43	78.2 Å²	78.2	30%	0.301	42%	0.423	S	S	.	.			trans	-84.4	86.8	-178	-152	0	0	0	0	108.1	S290 V341	S290-S292 PolarHBondContact O-N 3.21Å; S290-S292 WeakPolarHBondContact OG-CB 3.4Å; S292-V341 VanDerWaalsContact CB-CG1 3.49Å; S292-V341 WeakPolarHBondContact O-CG1 3.37Å; S292-V341 WeakPolarHBondContact O-CG2 3.44Å; S292-V341 WeakPolarHBondContact OG-CG1 3.27Å
293	T	88.8	Confident	68.5	Low	9 Å²	9	75.2 Å²	75.2	6%	0.055	39%	0.386	C	S	.	.			trans	-88.1	155.3	173.5	60.6	0	0	0	0	109.7	N291 V295 S366 Q368 D369	N291-T293 VanDerWaalsContact C-N 3.35Å; N291-T293 PolarHBondContact O-N 3.39Å; N291-T293 VanDerWaalsContact O-N 3.08Å; T293-V295 PolarHBondContact O-N 2.87Å; T293-V295 PolarHBondContact OG1-O 3.41Å; T293-S366 PolarHBondContact OG1-O 3.2Å; T293-S366 VanDerWaalsContact OG1-O 3.08Å; T293-Q368 VanDerWaalsContact CB-O 3.31Å; T293-Q368 WeakPolarHBondContact CB-O 3.43Å; T293-Q368 WeakPolarHBondContact CG2-O 3.43Å; T293-Q368 PolarHBondContact OG1-O 2.87Å; T293-D369 WeakPolarHBondContact CG2-OD1 3.39Å
294	A	92	Very high	71.6	Confident	18 Å²	18	79.4 Å²	79.4	15%	0.149	39%	0.388	C	S	.	.	S	Bend	trans	-71.2	-11.3	169.2	0	0	0	0	0	112.2	M338 V341	A294-M338 WeakPolarHBondContact CB-O 3.43Å; A294-M338 WeakPolarHBondContact O-CB 3.19Å; A294-M338 PolarHBondContact O-N 3.34Å; A294-V341 HydrophobicContact CB-CG2 4.42Å
295	V	94.4	Very high	74.5	Confident	0 Å²	0	74.7 Å²	74.7	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	131.9	176.2	-172.6	0	0	0	0	111.2	T293 M335 V336 E337 S366 Q368 I371	T293-V295 PolarHBondContact O-N 2.87Å; T293-V295 PolarHBondContact OG1-O 3.41Å; V295-M335 HydrophobicContact CG1-CE 4.38Å; V295-V336 CarbonylContact C-O 3.6Å; V295-V336 VanDerWaalsContact CA-O 3.26Å; V295-V336 WeakPolarHBondContact CA-O 3.39Å; V295-E337 HydrophobicContact CG2-CB 4.29Å; V295-E337 HydrophobicContact CG2-CG 4.19Å; V295-S366 VanDerWaalsContact O-CB 3.22Å; V295-S366 WeakPolarHBondContact O-CB 3.25Å; V295-S366 PolarHBondContact O-N 3.25Å; V295-Q368 VanDerWaalsContact CB-O 3.26Å; V295-Q368 WeakPolarHBondContact CB-O 3.43Å; V295-Q368 VanDerWaalsContact CG2-O 3.27Å; V295-Q368 WeakPolarHBondContact CG2-O 3.21Å; V295-I371 HydrophobicContact CG1-CD1 4.1Å; V295-I371 HydrophobicContact CG1-CG1 3.93Å; V295-I371 HydrophobicContact CG2-CG1 4.24Å
296	V	97	Very high	77.7	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	152.1	174.5	-63	0	0	0	0	111.7	M335 V336 A344 L347 I348 V363 R364	V296-M335 WeakPolarHBondContact O-CA 3.33Å; V296-V336 HydrophobicContact CG2-CB 3.98Å; V296-V336 PolarHBondContact N-O 2.85Å; V296-V336 PolarHBondContact O-N 2.82Å; V296-A344 HydrophobicContact CG1-CB 3.6Å; V296-L347 HydrophobicContact CG2-CD1 3.95Å; V296-I348 HydrophobicContact CG1-CD1 4.49Å; V296-V363 HydrophobicContact CB-CG1 4.14Å; V296-V363 HydrophobicContact CG1-CG1 4.46Å; V296-V363 HydrophobicContact CG2-CG1 4.35Å; V296-R364 CarbonylContact C-O 3.57Å; V296-R364 VanDerWaalsContact CA-O 3.31Å; V296-R364 WeakPolarHBondContact CA-O 3.14Å; V296-R364 WeakPolarHBondContact CB-O 3.39Å
297	M	96.6	Very high	80.8	Confident	17 Å²	17	59 Å²	59	8%	0.084	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	130.4	168.8	-72.7	-64.4	-51.5	0	0	109.7	Y299 L327 M335 V363 R364	M297-Y299 HydrophobicContact CB-CD2 4.38Å; M297-Y299 HydrophobicContact CB-CE1 4.48Å; M297-Y299 HydrophobicContact CB-CE2 3.57Å; M297-Y299 HydrophobicContact CE-CD1 4.48Å; M297-Y299 HydrophobicContact CE-CE1 3.59Å; M297-Y299 HydrophobicContact CG-CE2 4.45Å; M297-L327 HydrophobicContact CE-CD1 3.73Å; M297-M335 HydrophobicContact CE-CG 4.26Å; M297-M335 HydrophobicContact SD-CB 4.39Å; M297-M335 HydrophobicContact SD-CG 3.14Å; M297-M335 WeakPolarHBondContact SD-CG 3.48Å; M297-M335 HydrophobicContact SD-SD 4.05Å; M297-V363 WeakPolarHBondContact O-CA 3.19Å; M297-R364 PolarHBondContact N-O 3.31Å; M297-R364 PolarHBondContact O-N 3.07Å
298	L	97.7	Very high	83.9	Confident	3 Å²	3	53.3 Å²	53.3	2%	0.016	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	135.6	168	-54	-179.1	0	0	0	109.1	I301 V311 L315 S333 A334 V336 L361 M362 V363	L298-I301 HydrophobicContact CB-CD1 3.5Å; L298-I301 HydrophobicContact CB-CG1 4.19Å; L298-I301 HydrophobicContact CD1-CD1 3.97Å; L298-I301 HydrophobicContact CG-CD1 4.41Å; L298-V311 HydrophobicContact CD1-CG1 3.74Å; L298-V311 HydrophobicContact CD1-CG2 4.5Å; L298-L315 HydrophobicContact CD1-CD1 4.19Å; L298-S333 WeakPolarHBondContact O-CA 3.26Å; L298-A334 HydrophobicContact CB-CB 4.47Å; L298-A334 PolarHBondContact N-O 2.8Å; L298-A334 PolarHBondContact O-N 2.92Å; L298-V336 HydrophobicContact CD1-CG2 3.78Å; L298-V336 HydrophobicContact CG-CG2 4.22Å; L298-L361 HydrophobicContact CB-CD1 4.28Å; L298-M362 CarbonylContact C-O 3.46Å; L298-M362 WeakPolarHBondContact CA-O 3.35Å; L298-V363 HydrophobicContact CD2-CB 4.24Å; L298-V363 HydrophobicContact CD2-CG1 3.92Å; L298-V363 HydrophobicContact CD2-CG2 3.67Å
299	Y	96.5	Very high	87	Confident	43 Å²	43	45.7 Å²	45.7	17%	0.169	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	160.5	176.9	-57.3	-74.7	0	0	0	110.9	M297 I301 K330 G332 S333 M362 R364	M297-Y299 HydrophobicContact CB-CD2 4.38Å; M297-Y299 HydrophobicContact CB-CE1 4.48Å; M297-Y299 HydrophobicContact CB-CE2 3.57Å; M297-Y299 HydrophobicContact CE-CD1 4.48Å; M297-Y299 HydrophobicContact CE-CE1 3.59Å; M297-Y299 HydrophobicContact CG-CE2 4.45Å; Y299-I301 VanDerWaalsContact C-N 3.27Å; Y299-I301 PolarHBondContact O-N 3.27Å; Y299-K330 HydrophobicContact CD1-CD 4.47Å; Y299-K330 HydrophobicContact CE1-CD 4.07Å; Y299-G332 CarbonylContact C-O 3.22Å; Y299-S333 WeakPolarHBondContact CD1-OG 3.22Å; Y299-M362 HydrophobicContact CD2-CE 3.41Å; Y299-M362 VanDerWaalsContact CD2-CE 3.41Å; Y299-M362 HydrophobicContact CD2-CG 4.34Å; Y299-M362 HydrophobicContact CE2-CE 4.11Å; Y299-M362 HydrophobicContact CG-CE 3.83Å; Y299-M362 PolarHBondContact N-O 3.27Å; Y299-M362 PolarHBondContact O-N 3.4Å; Y299-M362 VanDerWaalsContact O-N 3.09Å; Y299-R364 HydrophobicContact CD2-CG 4.48Å; Y299-R364 HydrophobicContact CE2-CB 4.24Å; Y299-R364 HydrophobicContact CE2-CG 4.15Å
300	N	95.7	Very high	90	Very high	89 Å²	89	42 Å²	42	48%	0.476	22%	0.216	S	C	.	.	S	Bend	trans	62.4	32.9	-178.8	-52	-19.6	0	0	0	112.9	G332 N359 Q360	N300-G332 PolarHBondContact N-O 3.3Å; N300-N359 WeakPolarHBondContact O-CB 3.45Å; N300-N359 PolarHBondContact O-ND2 2.8Å; N300-N359 VanDerWaalsContact O-ND2 3.13Å; N300-Q360 VanDerWaalsContact CB-O 3.27Å; N300-Q360 WeakPolarHBondContact CB-O 3.32Å; N300-Q360 PolarHBondContact ND2-O 3.44Å
301	I	95.5	Very high	92.5	Very high	10 Å²	10	38 Å²	38	5%	0.051	19%	0.188	C	C	.	.			trans	-74.2	133.2	173	-64	167.4	0	0	0	108.9	L298 Y299 M303 M306 F326 G332 A334 L361	L298-I301 HydrophobicContact CB-CD1 3.5Å; L298-I301 HydrophobicContact CB-CG1 4.19Å; L298-I301 HydrophobicContact CD1-CD1 3.97Å; L298-I301 HydrophobicContact CG-CD1 4.41Å; Y299-I301 VanDerWaalsContact C-N 3.27Å; Y299-I301 PolarHBondContact O-N 3.27Å; I301-M303 PolarHBondContact O-N 3.07Å; I301-M306 HydrophobicContact CG2-CB 3.33Å; I301-M306 HydrophobicContact CG2-CG 3.7Å; I301-F326 HydrophobicContact CD1-CE1 4.33Å; I301-F326 HydrophobicContact CG2-CE1 3.98Å; I301-F326 HydrophobicContact CG2-CZ 4.47Å; I301-G332 PolarHBondContact N-O 3.34Å; I301-G332 VanDerWaalsContact O-CA 3.29Å; I301-G332 WeakPolarHBondContact O-CA 3.42Å; I301-A334 HydrophobicContact CD1-CB 3.68Å; I301-L361 HydrophobicContact CG1-CD1 3.95Å
302	D	94.2	Very high	94.6	Very high	38 Å²	38	33.2 Å²	33.2	20%	0.203	16%	0.163	C	C	.	.			trans	-72.6	107.3	169.4	-175	-29.6	0	0	0	109.8	K304 K305 M306 N359	D302-K304 PolarHBondContact O-N 2.98Å; D302-K304 WeakPolarHBondContact OD1-CA 3.47Å; D302-K304 WeakPolarHBondContact OD1-CB 3.31Å; D302-K304 PolarHBondContact OD1-N 3.22Å; D302-K305 HydrophobicContact CB-CB 4.25Å; D302-K305 PolarHBondContact O-N 3.37Å; D302-K305 PolarHBondContact OD1-N 3.01Å; D302-M306 VanDerWaalsContact O-CB 3.29Å; D302-M306 WeakPolarHBondContact O-CB 3.49Å; D302-M306 PolarHBondContact O-N 2.97Å; D302-N359 PolarHBondContact N-ND2 2.93Å
303	M	93.1	Very high	95.8	Very high	22 Å²	22	31.5 Å²	31.5	11%	0.108	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-20.4	-176.9	-64.6	-61	-62.4	0	0	114.2	I301 F326 E331 G332 L380 P381	I301-M303 PolarHBondContact O-N 3.07Å; M303-F326 HydrophobicContact CE-CD1 3.69Å; M303-F326 HydrophobicContact CE-CE1 4.24Å; M303-F326 HydrophobicContact SD-CD1 3.7Å; M303-F326 HydrophobicContact SD-CE1 3.87Å; M303-E331 HydrophobicContact CG-CG 3.75Å; M303-G332 PolarHBondContact SD-N 3.15Å; M303-L380 HydrophobicContact CE-CD2 3.66Å; M303-P381 VanDerWaalsContact O-CD 3.27Å; M303-P381 WeakPolarHBondContact O-CD 2.95Å; M303-P381 VanDerWaalsContact O-CG 3.23Å; M303-P381 WeakPolarHBondContact O-CG 3.47Å
304	K	93.2	Very high	96.2	Very high	174 Å²	174	31.2 Å²	31.2	76%	0.757	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-26.4	177.4	-63.1	-179.4	179.6	178	0	111.8	D302	D302-K304 PolarHBondContact O-N 2.98Å; D302-K304 WeakPolarHBondContact OD1-CA 3.47Å; D302-K304 WeakPolarHBondContact OD1-CB 3.31Å; D302-K304 PolarHBondContact OD1-N 3.22Å
305	K	94.1	Very high	96.5	Very high	78 Å²	78	30.5 Å²	30.5	34%	0.339	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-11.6	-176.3	-67.1	-175.2	165.3	-161.2	0	114.3	D302 R310 M357 E470	D302-K305 HydrophobicContact CB-CB 4.25Å; D302-K305 PolarHBondContact O-N 3.37Å; D302-K305 PolarHBondContact OD1-N 3.01Å; K305-R310 WeakPolarHBondContact O-CD 3.37Å; K305-R310 PolarHBondContact O-NH1 3.26Å; K305-M357 HydrophobicContact CB-CE 4.33Å; K305-M357 HydrophobicContact CB-CG 4.47Å; K305-M357 HydrophobicContact CB-SD 3.53Å; K305-M357 VanDerWaalsContact CB-SD 3.53Å; K305-M357 HydrophobicContact CD-CB 3.82Å; K305-M357 HydrophobicContact CD-CG 3.77Å; K305-M357 HydrophobicContact CD-SD 3.92Å; K305-M357 HydrophobicContact CG-SD 4.41Å; K305-E470 IonicContact NZ-OE1 2.88Å; K305-E470 PolarHBondContact NZ-OE1 2.86Å
306	M	96.3	Very high	96.6	Very high	9 Å²	9	30.5 Å²	30.5	4%	0.044	14%	0.142	C	C	.	.			trans	-119.2	144.3	-176.9	-67.1	-67.2	-70	0	0	111.9	I301 D302 R310 V311 I314 F356 M357 A473	I301-M306 HydrophobicContact CG2-CB 3.33Å; I301-M306 HydrophobicContact CG2-CG 3.7Å; D302-M306 VanDerWaalsContact O-CB 3.29Å; D302-M306 WeakPolarHBondContact O-CB 3.49Å; D302-M306 PolarHBondContact O-N 2.97Å; M306-R310 HydrophobicContact CE-CB 3.87Å; M306-R310 HydrophobicContact SD-CB 3.77Å; M306-V311 HydrophobicContact CE-CG2 3.83Å; M306-I314 HydrophobicContact CE-CD1 3.71Å; M306-F356 HydrophobicContact CE-CE2 4.35Å; M306-F356 HydrophobicContact CE-CZ 4.41Å; M306-F356 HydrophobicContact SD-CE2 4.05Å; M306-M357 HydrophobicContact CG-SD 3.99Å; M306-M357 HydrophobicContact SD-CE 4.03Å; M306-M357 HydrophobicContact SD-SD 3.74Å; M306-A473 HydrophobicContact SD-CB 4.35Å
307	N	97.4	Very high	96.6	Very high	13 Å²	13	31 Å²	31	7%	0.07	14%	0.144	C	C	.	.			trans	-140.8	-178.6	174.7	65.3	25.4	0	0	0	110	D309 R310 V311 L380 D382 S384	N307-D309 VanDerWaalsContact C-N 3.28Å; N307-D309 PolarHBondContact O-N 2.86Å; N307-D309 PolarHBondContact OD1-N 2.69Å; N307-R310 PolarHBondContact O-N 3.03Å; N307-R310 WeakPolarHBondContact OD1-CB 3.37Å; N307-R310 WeakPolarHBondContact OD1-CG 3.49Å; N307-R310 PolarHBondContact OD1-N 2.9Å; N307-V311 WeakPolarHBondContact O-CG2 3.33Å; N307-V311 PolarHBondContact O-N 2.66Å; N307-L380 HydrophobicContact CB-CD1 3.84Å; N307-D382 WeakPolarHBondContact CB-OD2 3.28Å; N307-D382 PolarHBondContact ND2-OD2 3.1Å; N307-S384 WeakPolarHBondContact CB-OG 3.25Å
308	C	98	Very high	96.6	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.007	14%	0.14	C	C	.	.	H	α-helix	trans	-56.9	-41.3	-179.9	-67.3	0	0	0	0	112.6	V311 F312 V324 P385 S386 K388 Y390	C308-V311 PolarHBondContact O-N 3.26Å; C308-F312 WeakPolarHBondContact O-CB 3.24Å; C308-F312 PolarHBondContact O-N 2.88Å; C308-V324 HydrophobicContact CB-CB 4.31Å; C308-V324 HydrophobicContact CB-CG1 4.22Å; C308-P385 PolarHBondContact SG-O 2.88Å; C308-S386 VanDerWaalsContact SG-C 3.58Å; C308-K388 HydrophobicContact CB-CB 4.05Å; C308-K388 HydrophobicContact CB-CD 4.11Å; C308-K388 HydrophobicContact CB-CG 4.36Å; C308-Y390 HydrophobicContact CB-CE2 4.25Å; C308-Y390 VanDerWaalsContact CB-OH 3.3Å; C308-Y390 WeakPolarHBondContact CB-OH 3.24Å; C308-Y390 PolarHBondContact O-OH 2.84Å
309	D	98	Very high	96.5	Very high	54 Å²	54	30 Å²	30	29%	0.289	14%	0.14	S	C	.	.	H	α-helix	trans	-70.9	-39.1	-177.3	-61.1	-45.4	0	0	0	111.8	N307 F312 N313 K388 Y390	N307-D309 VanDerWaalsContact C-N 3.28Å; N307-D309 PolarHBondContact O-N 2.86Å; N307-D309 PolarHBondContact OD1-N 2.69Å; D309-F312 WeakPolarHBondContact O-CB 3.29Å; D309-F312 PolarHBondContact O-N 2.91Å; D309-N313 WeakPolarHBondContact O-CB 3.27Å; D309-N313 PolarHBondContact O-N 2.88Å; D309-N313 PolarHBondContact O-OD1 2.74Å; D309-K388 IonicContact OD1-NZ 2.79Å; D309-K388 PolarHBondContact OD1-NZ 2.88Å; D309-K388 IonicContact OD2-NZ 3.87Å; D309-K388 PolarHBondContact OD2-NZ 2.75Å; D309-Y390 WeakPolarHBondContact CA-OH 3.22Å; D309-Y390 PolarHBondContact N-OH 3.38Å; D309-Y390 VanDerWaalsContact N-OH 3.11Å; D309-Y390 PolarHBondContact OD1-OH 2.57Å
310	R	97.9	Very high	96.4	Very high	69 Å²	69	28.8 Å²	28.8	26%	0.26	14%	0.136	S	C	.	.	H	α-helix	trans	-68.7	-36.3	175.7	-66.8	175.3	-179.1	171.4	1.2	111.6	K305 M306 N307 I314	K305-R310 WeakPolarHBondContact O-CD 3.37Å; K305-R310 PolarHBondContact O-NH1 3.26Å; M306-R310 HydrophobicContact CE-CB 3.87Å; M306-R310 HydrophobicContact SD-CB 3.77Å; N307-R310 PolarHBondContact O-N 3.03Å; N307-R310 WeakPolarHBondContact OD1-CB 3.37Å; N307-R310 WeakPolarHBondContact OD1-CG 3.49Å; N307-R310 PolarHBondContact OD1-N 2.9Å; R310-I314 WeakPolarHBondContact O-CG1 3.32Å; R310-I314 PolarHBondContact O-N 3.42Å
311	V	98.2	Very high	96.5	Very high	4 Å²	4	24.5 Å²	24.5	2%	0.024	11%	0.113	C	C	.	.	H	α-helix	trans	-62.9	-51	170	170.2	0	0	0	0	109.7	L298 M306 N307 C308 N313 I314 L315 V324 F326 V336	L298-V311 HydrophobicContact CD1-CG1 3.74Å; L298-V311 HydrophobicContact CD1-CG2 4.5Å; M306-V311 HydrophobicContact CE-CG2 3.83Å; N307-V311 WeakPolarHBondContact O-CG2 3.33Å; N307-V311 PolarHBondContact O-N 2.66Å; C308-V311 PolarHBondContact O-N 3.26Å; V311-N313 VanDerWaalsContact C-N 3.29Å; V311-N313 PolarHBondContact O-N 3.3Å; V311-I314 PolarHBondContact O-N 3.29Å; V311-L315 HydrophobicContact CG1-CD1 3.58Å; V311-L315 HydrophobicContact CG1-CG 4.18Å; V311-L315 VanDerWaalsContact O-CG 3.28Å; V311-L315 WeakPolarHBondContact O-CG 3.38Å; V311-L315 PolarHBondContact O-N 3.29Å; V311-L315 VanDerWaalsContact O-N 3.11Å; V311-V324 HydrophobicContact CB-CG1 4.11Å; V311-V324 HydrophobicContact CG1-CG1 3.85Å; V311-V324 HydrophobicContact CG1-CG2 4.07Å; V311-F326 HydrophobicContact CG2-CE2 4.05Å; V311-F326 HydrophobicContact CG2-CZ 3.72Å; V311-V336 HydrophobicContact CG1-CG2 3.91Å
312	F	98.5	Very high	96.3	Very high	4 Å²	4	25.5 Å²	25.5	2%	0.018	12%	0.118	C	C	.	.	H	α-helix	trans	-53.4	-45.6	176.5	172.1	-93	0	0	0	112.2	C308 D309 I314 L315 C316 V321 Y390 D393 N395 N396 H477	C308-F312 WeakPolarHBondContact O-CB 3.24Å; C308-F312 PolarHBondContact O-N 2.88Å; D309-F312 WeakPolarHBondContact O-CB 3.29Å; D309-F312 PolarHBondContact O-N 2.91Å; F312-I314 VanDerWaalsContact C-N 3.29Å; F312-I314 PolarHBondContact O-N 3.3Å; F312-L315 PolarHBondContact O-N 3.24Å; F312-L315 VanDerWaalsContact O-N 3.16Å; F312-C316 HydrophobicContact CD2-CB 4.34Å; F312-C316 HydrophobicContact CE1-CB 4.16Å; F312-C316 HydrophobicContact CE2-CB 3.92Å; F312-C316 HydrophobicContact CZ-CB 3.82Å; F312-C316 WeakPolarHBondContact O-CB 3.36Å; F312-C316 PolarHBondContact O-N 3.1Å; F312-V321 HydrophobicContact CD2-CB 3.66Å; F312-V321 HydrophobicContact CD2-CG1 3.99Å; F312-V321 HydrophobicContact CD2-CG2 4.04Å; F312-V321 HydrophobicContact CE2-CB 3.97Å; F312-V321 HydrophobicContact CE2-CG2 4.42Å; F312-Y390 HydrophobicContact CB-CD1 4.24Å; F312-Y390 HydrophobicContact CB-CE1 3.85Å; F312-Y390 HydrophobicContact CB-CE2 4.13Å; F312-Y390 HydrophobicContact CD1-CD1 4.34Å; F312-Y390 HydrophobicContact CD1-CE1 4.24Å; F312-Y390 AromaticContact CD2-CD1 3.4Å; F312-Y390 HydrophobicContact CD2-CD1 3.4Å; F312-Y390 HydrophobicContact CD2-CD2 4.1Å; F312-Y390 AromaticContact CD2-CE1 3.89Å; F312-Y390 HydrophobicContact CD2-CE1 3.89Å; F312-Y390 AromaticContact CD2-CG 3.53Å; F312-Y390 HydrophobicContact CD2-CG 3.53Å; F312-Y390 AromaticContact CE2-CD1 3.76Å; F312-Y390 HydrophobicContact CE2-CD1 3.76Å; F312-Y390 AromaticContact CE2-CG 3.98Å; F312-Y390 HydrophobicContact CE2-CG 3.98Å; F312-Y390 AromaticContact CG-CD1 3.73Å; F312-Y390 HydrophobicContact CG-CD1 3.73Å; F312-Y390 AromaticContact CG-CE1 3.72Å; F312-Y390 HydrophobicContact CG-CE1 3.72Å; F312-Y390 HydrophobicContact CG-CG 4.21Å; F312-Y390 HydrophobicContact CZ-CD1 4.37Å; F312-D393 HydrophobicContact CE2-CB 4.33Å; F312-D393 HydrophobicContact CZ-CB 4.26Å; F312-N395 HydrophobicContact CE1-CB 3.58Å; F312-N395 HydrophobicContact CZ-CB 3.67Å; F312-N396 WeakPolarHBondContact CE2-OD1 3.45Å; F312-H477 AromaticContact CE1-CE1 3.62Å; F312-H477 AromaticContact CE1-ND1 3.7Å
313	N	98.1	Very high	96.4	Very high	7 Å²	7	25.6 Å²	25.6	4%	0.037	12%	0.116	C	C	.	.	H	α-helix	trans	-56.2	-37.5	179.9	-80	-4.4	0	0	0	114.1	D309 V311 A473 N476 H477	D309-N313 WeakPolarHBondContact O-CB 3.27Å; D309-N313 PolarHBondContact O-N 2.88Å; D309-N313 PolarHBondContact O-OD1 2.74Å; V311-N313 VanDerWaalsContact C-N 3.29Å; V311-N313 PolarHBondContact O-N 3.3Å; N313-A473 PolarHBondContact ND2-O 2.89Å; N313-N476 HydrophobicContact CB-CB 3.99Å; N313-N476 PolarHBondContact ND2-O 3.1Å; N313-N476 PolarHBondContact O-ND2 3.44Å; N313-N476 PolarHBondContact OD1-O 2.75Å; N313-H477 PolarHBondContact OD1-ND1 3.42Å
314	I	97.7	Very high	96.7	Very high	3 Å²	3	24.6 Å²	24.6	2%	0.015	11%	0.111	C	C	.	.	H	α-helix	trans	-80	-38.6	178.8	-59.9	172.8	0	0	0	110.6	M306 R310 V311 F312 I317 L351 F356 A473	M306-I314 HydrophobicContact CE-CD1 3.71Å; R310-I314 WeakPolarHBondContact O-CG1 3.32Å; R310-I314 PolarHBondContact O-N 3.42Å; V311-I314 PolarHBondContact O-N 3.29Å; F312-I314 VanDerWaalsContact C-N 3.29Å; F312-I314 PolarHBondContact O-N 3.3Å; I314-I317 WeakPolarHBondContact O-CG1 3.38Å; I314-L351 HydrophobicContact CG2-CD1 3.82Å; I314-L351 HydrophobicContact CG2-CD2 4.33Å; I314-F356 HydrophobicContact CD1-CE1 4.39Å; I314-F356 HydrophobicContact CD1-CE2 3.68Å; I314-F356 HydrophobicContact CD1-CZ 3.53Å; I314-A473 HydrophobicContact CD1-CB 3.75Å; I314-A473 HydrophobicContact CG1-CB 3.84Å
315	L	98	Very high	96.9	Very high	3 Å²	3	19 Å²	19	2%	0.016	9%	0.087	C	C	.	.	H	α-helix	trans	-85.5	-31.9	-170.4	-57.6	-176.5	0	0	0	113.8	L298 V311 F312 I317 Y318 V321 V336 L347 L351	L298-L315 HydrophobicContact CD1-CD1 4.19Å; V311-L315 HydrophobicContact CG1-CD1 3.58Å; V311-L315 HydrophobicContact CG1-CG 4.18Å; V311-L315 VanDerWaalsContact O-CG 3.28Å; V311-L315 WeakPolarHBondContact O-CG 3.38Å; V311-L315 PolarHBondContact O-N 3.29Å; V311-L315 VanDerWaalsContact O-N 3.11Å; F312-L315 PolarHBondContact O-N 3.24Å; F312-L315 VanDerWaalsContact O-N 3.16Å; L315-I317 PolarHBondContact O-N 3.25Å; L315-Y318 PolarHBondContact O-N 2.89Å; L315-V321 HydrophobicContact CB-CG2 3.75Å; L315-V336 HydrophobicContact CD1-CB 4.06Å; L315-V336 HydrophobicContact CD1-CG1 3.7Å; L315-V336 HydrophobicContact CD1-CG2 3.73Å; L315-L347 HydrophobicContact CB-CD1 4.43Å; L315-L347 HydrophobicContact CB-CD2 4.18Å; L315-L347 HydrophobicContact CD1-CD1 4.2Å; L315-L347 HydrophobicContact CD2-CD1 3.86Å; L315-L347 HydrophobicContact CD2-CD2 3.59Å; L315-L347 HydrophobicContact CD2-CG 4.31Å; L315-L347 HydrophobicContact CG-CD1 4.38Å; L315-L347 HydrophobicContact CG-CD2 4.41Å; L315-L351 HydrophobicContact CD2-CD1 3.54Å
316	C	97	Very high	97	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-14.9	-174.2	79.5	0	0	0	0	113.3	F312 Y318 G319 V321 Y398 H477	F312-C316 HydrophobicContact CD2-CB 4.34Å; F312-C316 HydrophobicContact CE1-CB 4.16Å; F312-C316 HydrophobicContact CE2-CB 3.92Å; F312-C316 HydrophobicContact CZ-CB 3.82Å; F312-C316 WeakPolarHBondContact O-CB 3.36Å; F312-C316 PolarHBondContact O-N 3.1Å; C316-Y318 PolarHBondContact O-N 3.17Å; C316-G319 CarbonylContact C-O 3.51Å; C316-G319 VanDerWaalsContact CA-O 3.27Å; C316-G319 WeakPolarHBondContact CA-O 3.48Å; C316-V321 HydrophobicContact CB-CG2 4.35Å; C316-Y398 WeakPolarHBondContact O-CE2 3.35Å; C316-H477 PolarHBondContact SG-CE1 3.4Å
317	I	97	Very high	96.9	Very high	9 Å²	9	16.6 Å²	16.6	5%	0.046	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-13.3	175.6	82.6	176.8	0	0	0	112.5	I314 L315 R397 Y398 L472 F495	I314-I317 WeakPolarHBondContact O-CG1 3.38Å; L315-I317 PolarHBondContact O-N 3.25Å; I317-R397 VanDerWaalsContact CG2-NH1 3.26Å; I317-Y398 WeakPolarHBondContact O-CE2 3.19Å; I317-Y398 PolarHBondContact O-OH 3.12Å; I317-L472 HydrophobicContact CD1-CD2 3.81Å; I317-L472 HydrophobicContact CG2-CD1 4.39Å; I317-F495 HydrophobicContact CD1-CD2 3.43Å; I317-F495 VanDerWaalsContact CD1-CD2 3.43Å; I317-F495 HydrophobicContact CD1-CE2 3.75Å; I317-F495 HydrophobicContact CD1-CG 4.41Å
318	Y	97.1	Very high	96.5	Very high	1 Å²	1	24.8 Å²	24.8	0%	0.004	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.4	-15.2	-179	-66.6	-74.3	0	0	0	114.1	L315 C316 R346 L347 N350 L351 I409 H410 F495	L315-Y318 PolarHBondContact O-N 2.89Å; C316-Y318 PolarHBondContact O-N 3.17Å; Y318-R346 HydrophobicContact CD1-CB 4.5Å; Y318-R346 WeakPolarHBondContact O-CD 3.32Å; Y318-L347 HydrophobicContact CD2-CD2 3.62Å; Y318-L347 HydrophobicContact CG-CD2 3.81Å; Y318-N350 HydrophobicContact CD1-CB 4.3Å; Y318-N350 HydrophobicContact CE1-CB 3.56Å; Y318-L351 HydrophobicContact CD2-CD1 4.02Å; Y318-L351 HydrophobicContact CD2-CG 4.34Å; Y318-L351 HydrophobicContact CE2-CD1 3.81Å; Y318-L351 HydrophobicContact CE2-CD2 3.72Å; Y318-L351 HydrophobicContact CE2-CG 3.78Å; Y318-I409 HydrophobicContact CD1-CG2 3.6Å; Y318-I409 HydrophobicContact CE1-CG2 3.76Å; Y318-H410 WeakPolarHBondContact CE1-O 3.36Å; Y318-H410 PolarHBondContact OH-O 2.73Å; Y318-F495 WeakPolarHBondContact OH-CD2 3.49Å
319	G	95.2	Very high	96	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.148	C	C	.	.	S	Bend	trans	174.7	172.7	-177.3	0	0	0	0	0	111.2	C316 S343 Y398	C316-G319 CarbonylContact C-O 3.51Å; C316-G319 VanDerWaalsContact CA-O 3.27Å; C316-G319 WeakPolarHBondContact CA-O 3.48Å; G319-S343 VanDerWaalsContact CA-OG 3.31Å; G319-S343 WeakPolarHBondContact CA-OG 3.47Å; G319-Y398 VanDerWaalsContact N-CE2 3.35Å
320	N	93.9	Very high	95.7	Very high	16 Å²	16	33.9 Å²	33.9	9%	0.086	16%	0.156	C	C	.	.			trans	-72	138.3	172.8	-57.4	-35.9	0	0	0	109.9	M338 G339 N396 R397 Y398 T399	N320-M338 CarbonylContact O-C 3.53Å; N320-M338 WeakPolarHBondContact O-CA 3.47Å; N320-M338 WeakPolarHBondContact O-CE 3.19Å; N320-G339 PolarHBondContact O-N 2.88Å; N320-N396 VanDerWaalsContact CA-OD1 3.31Å; N320-N396 WeakPolarHBondContact CA-OD1 3.28Å; N320-N396 HydrophobicContact CB-CB 4.2Å; N320-N396 WeakPolarHBondContact OD1-CB 3.46Å; N320-R397 PolarHBondContact OD1-N 3.41Å; N320-Y398 PolarHBondContact ND2-O 2.95Å; N320-Y398 VanDerWaalsContact OD1-CA 3.32Å; N320-Y398 WeakPolarHBondContact OD1-CA 3.24Å; N320-Y398 WeakPolarHBondContact OD1-CB 3.35Å; N320-Y398 PolarHBondContact OD1-N 2.95Å; N320-T399 VanDerWaalsContact ND2-CA 3.31Å; N320-T399 WeakPolarHBondContact ND2-CA 3.4Å; N320-T399 PolarHBondContact ND2-N 3.12Å; N320-T399 WeakPolarHBondContact OD1-CG2 3.33Å; N320-T399 PolarHBondContact OD1-N 3.47Å; N320-T399 VanDerWaalsContact OD1-N 3.1Å
321	V	97.4	Very high	95.3	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	127.2	172.3	179	0	0	0	0	107.6	F312 L315 C316 V324 V336 M338 Y390 N396	F312-V321 HydrophobicContact CD2-CB 3.66Å; F312-V321 HydrophobicContact CD2-CG1 3.99Å; F312-V321 HydrophobicContact CD2-CG2 4.04Å; F312-V321 HydrophobicContact CE2-CB 3.97Å; F312-V321 HydrophobicContact CE2-CG2 4.42Å; L315-V321 HydrophobicContact CB-CG2 3.75Å; C316-V321 HydrophobicContact CB-CG2 4.35Å; V321-V324 HydrophobicContact CG1-CG2 3.74Å; V321-V336 HydrophobicContact CG1-CG1 3.82Å; V321-M338 HydrophobicContact CG2-CE 4.06Å; V321-M338 HydrophobicContact CG2-SD 4.1Å; V321-Y390 HydrophobicContact CG1-CD2 4.21Å; V321-Y390 CarbonylContact O-C 3.58Å; V321-Y390 VanDerWaalsContact O-CB 3.28Å; V321-Y390 WeakPolarHBondContact O-CB 3.1Å; V321-N396 PolarHBondContact N-OD1 3.31Å; V321-N396 PolarHBondContact O-ND2 3.29Å
322	I	92.9	Very high	95	Very high	31 Å²	31	38.6 Å²	38.6	16%	0.159	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	-49.5	-179.3	-52.3	-55.9	0	0	0	109.8	E337 D389 Y390 S391	I322-E337 HydrophobicContact CB-CB 4.16Å; I322-E337 HydrophobicContact CB-CG 3.99Å; I322-E337 WeakPolarHBondContact CB-O 3.31Å; I322-E337 HydrophobicContact CG1-CG 4.39Å; I322-E337 HydrophobicContact CG2-CG 4.38Å; I322-E337 PolarHBondContact N-O 2.78Å; I322-D389 CarbonylContact O-C 3.58Å; I322-Y390 CarbonylContact O-C 3.59Å; I322-Y390 WeakPolarHBondContact O-CA 3.34Å; I322-Y390 PolarHBondContact O-N 2.78Å; I322-S391 PolarHBondContact O-N 2.88Å; I322-S391 VanDerWaalsContact O-N 3.1Å
323	R	96.2	Very high	94.9	Very high	40 Å²	40	38.6 Å²	38.6	15%	0.151	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	144.2	179.8	-69.5	177.8	-173.5	85.8	15.5	111.1	V336 E337 I371 D373 F387 K388 D389	R323-V336 CarbonylContact O-C 3.57Å; R323-V336 VanDerWaalsContact O-CA 3.3Å; R323-V336 WeakPolarHBondContact O-CA 3.46Å; R323-V336 WeakPolarHBondContact O-CG1 3.47Å; R323-E337 HydrophobicContact CB-CB 4.22Å; R323-E337 IonicContact CZ-OE2 3.14Å; R323-E337 PolarHBondContact N-O 2.86Å; R323-E337 IonicContact NH1-OE1 3.61Å; R323-E337 PolarHBondContact NH1-OE1 3.12Å; R323-E337 IonicContact NH1-OE2 2.62Å; R323-E337 PolarHBondContact NH1-OE2 3.08Å; R323-E337 PolarHBondContact O-N 3.16Å; R323-I371 HydrophobicContact CB-CB 4.21Å; R323-I371 HydrophobicContact CB-CD1 4.37Å; R323-I371 HydrophobicContact CB-CG2 4.28Å; R323-I371 WeakPolarHBondContact CD-O 3.29Å; R323-D373 IonicContact CZ-OD1 2.7Å; R323-D373 IonicContact NE-OD1 3.89Å; R323-D373 PolarHBondContact NE-OD1 2.99Å; R323-D373 IonicContact NH2-OD1 2.7Å; R323-F387 HydrophobicContact CB-CE2 4.1Å; R323-F387 HydrophobicContact CG-CE2 4.14Å; R323-F387 HydrophobicContact CG-CZ 4.15Å; R323-K388 WeakPolarHBondContact CA-O 3.23Å; R323-D389 HydrophobicContact CG-CB 4.35Å; R323-D389 IonicContact CZ-OD2 2.75Å; R323-D389 IonicContact NE-OD2 2.66Å; R323-D389 PolarHBondContact NE-OD2 2.86Å; R323-D389 IonicContact NH2-OD2 2.88Å; R323-D389 PolarHBondContact NH2-OD2 3.23Å
324	V	98.3	Very high	94.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	131.9	169.4	-179.5	0	0	0	0	108.5	C308 V311 V321 F326 V336 F387 K388 Y390	C308-V324 HydrophobicContact CB-CB 4.31Å; C308-V324 HydrophobicContact CB-CG1 4.22Å; V311-V324 HydrophobicContact CB-CG1 4.11Å; V311-V324 HydrophobicContact CG1-CG1 3.85Å; V311-V324 HydrophobicContact CG1-CG2 4.07Å; V321-V324 HydrophobicContact CG1-CG2 3.74Å; V324-F326 HydrophobicContact CG1-CD2 4.32Å; V324-F326 HydrophobicContact CG1-CE2 4.06Å; V324-V336 HydrophobicContact CG1-CG2 4.27Å; V324-V336 HydrophobicContact CG2-CG1 4.22Å; V324-V336 HydrophobicContact CG2-CG2 4.21Å; V324-F387 VanDerWaalsContact O-CA 3.28Å; V324-F387 WeakPolarHBondContact O-CA 3.46Å; V324-F387 WeakPolarHBondContact O-CD2 3.11Å; V324-K388 PolarHBondContact N-O 3.07Å; V324-K388 PolarHBondContact O-N 2.88Å; V324-K388 VanDerWaalsContact O-N 3.08Å; V324-Y390 HydrophobicContact CB-CD2 4.48Å; V324-Y390 HydrophobicContact CB-CE2 4.03Å; V324-Y390 HydrophobicContact CG2-CD2 3.94Å; V324-Y390 HydrophobicContact CG2-CE2 3.72Å
325	K	97	Very high	94.9	Very high	58 Å²	58	38.6 Å²	38.6	25%	0.252	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	107.9	-178.4	-175.7	176.6	177.7	170.1	0	111.6	A334 M335 I371 V374 S386 F387	K325-A334 CarbonylContact O-C 3.54Å; K325-A334 VanDerWaalsContact O-CA 3.27Å; K325-A334 WeakPolarHBondContact O-CA 3.26Å; K325-M335 HydrophobicContact CB-CB 4.45Å; K325-M335 PolarHBondContact N-O 3.4Å; K325-M335 PolarHBondContact O-N 2.94Å; K325-I371 HydrophobicContact CB-CG2 4.17Å; K325-I371 HydrophobicContact CD-CG2 3.95Å; K325-V374 HydrophobicContact CD-CG2 3.84Å; K325-V374 HydrophobicContact CG-CG2 4.3Å; K325-S386 CarbonylContact C-O 3.59Å; K325-S386 WeakPolarHBondContact CA-O 3.5Å; K325-F387 HydrophobicContact CB-CD2 3.98Å; K325-F387 HydrophobicContact CG-CD2 4.24Å
326	F	97.4	Very high	94.9	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.009	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	144.9	168.7	-76	-102.8	0	0	0	111	I301 M303 V311 V324 A334 F378 L380 S386	I301-F326 HydrophobicContact CD1-CE1 4.33Å; I301-F326 HydrophobicContact CG2-CE1 3.98Å; I301-F326 HydrophobicContact CG2-CZ 4.47Å; M303-F326 HydrophobicContact CE-CD1 3.69Å; M303-F326 HydrophobicContact CE-CE1 4.24Å; M303-F326 HydrophobicContact SD-CD1 3.7Å; M303-F326 HydrophobicContact SD-CE1 3.87Å; V311-F326 HydrophobicContact CG2-CE2 4.05Å; V311-F326 HydrophobicContact CG2-CZ 3.72Å; V324-F326 HydrophobicContact CG1-CD2 4.32Å; V324-F326 HydrophobicContact CG1-CE2 4.06Å; F326-A334 HydrophobicContact CD1-CB 4.15Å; F326-A334 HydrophobicContact CD2-CB 4.27Å; F326-A334 HydrophobicContact CE1-CB 4.34Å; F326-A334 HydrophobicContact CE2-CB 4.42Å; F326-A334 HydrophobicContact CG-CB 4.13Å; F326-A334 HydrophobicContact CZ-CB 4.47Å; F326-F378 HydrophobicContact CB-CZ 3.91Å; F326-F378 WeakPolarHBondContact O-CE1 3.44Å; F326-L380 HydrophobicContact CB-CD2 4Å; F326-L380 HydrophobicContact CD1-CD2 4.06Å; F326-L380 HydrophobicContact CD2-CD1 3.95Å; F326-L380 HydrophobicContact CD2-CD2 4.38Å; F326-L380 HydrophobicContact CE2-CD1 4.04Å; F326-L380 HydrophobicContact CG-CD1 4.27Å; F326-L380 HydrophobicContact CG-CD2 3.89Å; F326-L380 HydrophobicContact CZ-CD1 4.4Å; F326-S386 PolarHBondContact N-O 2.9Å
327	L	93	Very high	94.9	Very high	33 Å²	33	39.6 Å²	39.6	17%	0.173	19%	0.188	C	C	.	.			trans	-102.1	120.6	-176.3	-59.3	-177.3	0	0	0	111	M297 T329 K330 S333 M335	M297-L327 HydrophobicContact CE-CD1 3.73Å; L327-T329 VanDerWaalsContact C-N 3.35Å; L327-K330 HydrophobicContact CB-CB 4.42Å; L327-K330 CarbonylContact O-C 3.55Å; L327-K330 PolarHBondContact O-N 3.15Å; L327-S333 PolarHBondContact N-O 2.89Å; L327-M335 HydrophobicContact CD2-SD 4.24Å
328	R	89.9	Confident	94.9	Very high	186 Å²	186	39.3 Å²	39.3	70%	0.702	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65	-39.3	175.2	-174.3	-173.3	-69.1	-86	17.8	112.2	K330 F378	R328-K330 VanDerWaalsContact C-N 3.26Å; R328-K330 PolarHBondContact O-N 3.36Å; R328-F378 HydrophobicContact CB-CD1 4.08Å; R328-F378 HydrophobicContact CB-CE1 3.78Å; R328-F378 HydrophobicContact CB-CZ 4.23Å
329	T	88.3	Confident	94.5	Very high	140 Å²	140	41.1 Å²	41.1	86%	0.859	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-15.4	-175.6	50.3	0	0	0	0	113.5	L327	L327-T329 VanDerWaalsContact C-N 3.35Å
330	K	90.5	Very high	94.2	Very high	105 Å²	105	43.9 Å²	43.9	46%	0.457	22%	0.22	S	C	.	.	S	Bend	trans	-139.2	85.8	-179.1	-163.4	-179.8	178.9	171	0	109.3	Y299 L327 R328 S333	Y299-K330 HydrophobicContact CD1-CD 4.47Å; Y299-K330 HydrophobicContact CE1-CD 4.07Å; L327-K330 HydrophobicContact CB-CB 4.42Å; L327-K330 CarbonylContact O-C 3.55Å; L327-K330 PolarHBondContact O-N 3.15Å; R328-K330 VanDerWaalsContact C-N 3.26Å; R328-K330 PolarHBondContact O-N 3.36Å; K330-S333 WeakPolarHBondContact CD-OG 3.44Å; K330-S333 WeakPolarHBondContact CG-OG 3.47Å; K330-S333 WeakPolarHBondContact O-CB 2.88Å; K330-S333 PolarHBondContact O-N 3.07Å; K330-S333 PolarHBondContact O-OG 3.17Å
331	E	89.4	Confident	94.1	Very high	162 Å²	162	45.9 Å²	45.9	76%	0.757	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.8	147.3	179.4	-165.2	173.7	-177.9	0	0	111.4	M303 S333	M303-E331 HydrophobicContact CG-CG 3.75Å; E331-S333 PolarHBondContact O-N 2.98Å
332	G	92.6	Very high	93.8	Very high	10 Å²	10	50.4 Å²	50.4	10%	0.103	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.5	16.8	-174.1	0	0	0	0	0	114.1	Y299 N300 I301 M303	Y299-G332 CarbonylContact C-O 3.22Å; N300-G332 PolarHBondContact N-O 3.3Å; I301-G332 PolarHBondContact N-O 3.34Å; I301-G332 VanDerWaalsContact O-CA 3.29Å; I301-G332 WeakPolarHBondContact O-CA 3.42Å; M303-G332 PolarHBondContact SD-N 3.15Å
333	S	96.3	Very high	93.9	Very high	4 Å²	4	48.9 Å²	48.9	3%	0.028	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	144.1	178.6	-46.6	0	0	0	0	112.8	L298 Y299 L327 K330 E331	L298-S333 WeakPolarHBondContact O-CA 3.26Å; Y299-S333 WeakPolarHBondContact CD1-OG 3.22Å; L327-S333 PolarHBondContact N-O 2.89Å; K330-S333 WeakPolarHBondContact CD-OG 3.44Å; K330-S333 WeakPolarHBondContact CG-OG 3.47Å; K330-S333 WeakPolarHBondContact O-CB 2.88Å; K330-S333 PolarHBondContact O-N 3.07Å; K330-S333 PolarHBondContact O-OG 3.17Å; E331-S333 PolarHBondContact O-N 2.98Å
334	A	97.7	Very high	93.8	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	151.1	173.6	0	0	0	0	0	111.1	L298 I301 K325 F326	L298-A334 HydrophobicContact CB-CB 4.47Å; L298-A334 PolarHBondContact N-O 2.8Å; L298-A334 PolarHBondContact O-N 2.92Å; I301-A334 HydrophobicContact CD1-CB 3.68Å; K325-A334 CarbonylContact O-C 3.54Å; K325-A334 VanDerWaalsContact O-CA 3.27Å; K325-A334 WeakPolarHBondContact O-CA 3.26Å; F326-A334 HydrophobicContact CD1-CB 4.15Å; F326-A334 HydrophobicContact CD2-CB 4.27Å; F326-A334 HydrophobicContact CE1-CB 4.34Å; F326-A334 HydrophobicContact CE2-CB 4.42Å; F326-A334 HydrophobicContact CG-CB 4.13Å; F326-A334 HydrophobicContact CZ-CB 4.47Å
335	M	97.3	Very high	93.7	Very high	10 Å²	10	49.7 Å²	49.7	5%	0.049	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	142.3	165.7	-82.9	166.7	35.8	0	0	109.8	V295 V296 M297 K325 L327 I371	V295-M335 HydrophobicContact CG1-CE 4.38Å; V296-M335 WeakPolarHBondContact O-CA 3.33Å; M297-M335 HydrophobicContact CE-CG 4.26Å; M297-M335 HydrophobicContact SD-CB 4.39Å; M297-M335 HydrophobicContact SD-CG 3.14Å; M297-M335 WeakPolarHBondContact SD-CG 3.48Å; M297-M335 HydrophobicContact SD-SD 4.05Å; K325-M335 HydrophobicContact CB-CB 4.45Å; K325-M335 PolarHBondContact N-O 3.4Å; K325-M335 PolarHBondContact O-N 2.94Å; L327-M335 HydrophobicContact CD2-SD 4.24Å; M335-I371 HydrophobicContact CB-CD1 3.72Å; M335-I371 HydrophobicContact CE-CB 4.43Å; M335-I371 HydrophobicContact CE-CD1 3.9Å; M335-I371 HydrophobicContact CE-CG1 3.58Å; M335-I371 HydrophobicContact CE-CG2 4.34Å
336	V	98.4	Very high	93.6	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	129.7	175.7	-175.6	0	0	0	0	109.9	V295 V296 L298 V311 L315 V321 R323 V324 M338	V295-V336 CarbonylContact C-O 3.6Å; V295-V336 VanDerWaalsContact CA-O 3.26Å; V295-V336 WeakPolarHBondContact CA-O 3.39Å; V296-V336 HydrophobicContact CG2-CB 3.98Å; V296-V336 PolarHBondContact N-O 2.85Å; V296-V336 PolarHBondContact O-N 2.82Å; L298-V336 HydrophobicContact CD1-CG2 3.78Å; L298-V336 HydrophobicContact CG-CG2 4.22Å; V311-V336 HydrophobicContact CG1-CG2 3.91Å; L315-V336 HydrophobicContact CD1-CB 4.06Å; L315-V336 HydrophobicContact CD1-CG1 3.7Å; L315-V336 HydrophobicContact CD1-CG2 3.73Å; V321-V336 HydrophobicContact CG1-CG1 3.82Å; R323-V336 CarbonylContact O-C 3.57Å; R323-V336 VanDerWaalsContact O-CA 3.3Å; R323-V336 WeakPolarHBondContact O-CA 3.46Å; R323-V336 WeakPolarHBondContact O-CG1 3.47Å; V324-V336 HydrophobicContact CG1-CG2 4.27Å; V324-V336 HydrophobicContact CG2-CG1 4.22Å; V324-V336 HydrophobicContact CG2-CG2 4.21Å; V336-M338 HydrophobicContact CG1-SD 3.78Å
337	E	96.9	Very high	93.6	Very high	25 Å²	25	49.5 Å²	49.5	12%	0.117	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	115.6	170.9	-173.9	-179.8	152.5	0	0	108.2	V295 I322 R323 I371	V295-E337 HydrophobicContact CG2-CB 4.29Å; V295-E337 HydrophobicContact CG2-CG 4.19Å; I322-E337 HydrophobicContact CB-CB 4.16Å; I322-E337 HydrophobicContact CB-CG 3.99Å; I322-E337 WeakPolarHBondContact CB-O 3.31Å; I322-E337 HydrophobicContact CG1-CG 4.39Å; I322-E337 HydrophobicContact CG2-CG 4.38Å; I322-E337 PolarHBondContact N-O 2.78Å; R323-E337 HydrophobicContact CB-CB 4.22Å; R323-E337 IonicContact CZ-OE2 3.14Å; R323-E337 PolarHBondContact N-O 2.86Å; R323-E337 IonicContact NH1-OE1 3.61Å; R323-E337 PolarHBondContact NH1-OE1 3.12Å; R323-E337 IonicContact NH1-OE2 2.62Å; R323-E337 PolarHBondContact NH1-OE2 3.08Å; R323-E337 PolarHBondContact O-N 3.16Å; E337-I371 HydrophobicContact CB-CB 4.31Å; E337-I371 HydrophobicContact CB-CD1 3.83Å; E337-I371 HydrophobicContact CB-CG1 3.9Å; E337-I371 VanDerWaalsContact N-CD1 3.31Å; E337-I371 PolarHBondContact OE2-N 3.47Å
338	M	96.6	Very high	93.7	Very high	2 Å²	2	50 Å²	50	1%	0.01	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	160.3	172.7	-57.6	-54.4	-69.6	0	0	110.1	A294 N320 V321 V336 D340 A344 L347	A294-M338 WeakPolarHBondContact CB-O 3.43Å; A294-M338 WeakPolarHBondContact O-CB 3.19Å; A294-M338 PolarHBondContact O-N 3.34Å; N320-M338 CarbonylContact O-C 3.53Å; N320-M338 WeakPolarHBondContact O-CA 3.47Å; N320-M338 WeakPolarHBondContact O-CE 3.19Å; V321-M338 HydrophobicContact CG2-CE 4.06Å; V321-M338 HydrophobicContact CG2-SD 4.1Å; V336-M338 HydrophobicContact CG1-SD 3.78Å; M338-D340 PolarHBondContact O-N 3.39Å; M338-A344 HydrophobicContact CB-CB 4.47Å; M338-A344 HydrophobicContact CG-CB 4.24Å; M338-L347 HydrophobicContact CE-CD1 3.72Å; M338-L347 HydrophobicContact CE-CD2 4.47Å; M338-L347 HydrophobicContact CE-CG 4.18Å; M338-L347 HydrophobicContact CG-CD1 3.79Å; M338-L347 HydrophobicContact SD-CD1 3.41Å; M338-L347 WeakPolarHBondContact SD-CD1 3.11Å; M338-L347 HydrophobicContact SD-CG 4.46Å
339	G	89.8	Confident	94	Very high	39 Å²	39	48.6 Å²	48.6	40%	0.402	25%	0.25	S	S	.	.	S	Bend	trans	-65.5	-21.9	177.8	0	0	0	0	0	113.6	N320	N320-G339 PolarHBondContact O-N 2.88Å
340	D	88.4	Confident	94.4	Very high	59 Å²	59	42.9 Å²	42.9	32%	0.316	22%	0.215	S	C	.	.	S	Bend	trans	-158.8	167.7	179.5	67.5	82.6	0	0	0	111.9	M338 E342 S343 A344	M338-D340 PolarHBondContact O-N 3.39Å; D340-E342 WeakPolarHBondContact OD1-CA 3.31Å; D340-E342 VanDerWaalsContact OD1-CB 3.26Å; D340-E342 WeakPolarHBondContact OD1-CB 3.31Å; D340-E342 PolarHBondContact OD1-N 2.87Å; D340-S343 VanDerWaalsContact CG-OG 3.28Å; D340-S343 WeakPolarHBondContact O-CB 3.38Å; D340-S343 PolarHBondContact OD1-N 2.86Å; D340-S343 PolarHBondContact OD1-OG 3.17Å; D340-S343 WeakPolarHBondContact OD2-CB 3.32Å; D340-S343 PolarHBondContact OD2-OG 3.23Å; D340-A344 PolarHBondContact O-N 3.05Å
341	V	91.7	Very high	94.7	Very high	58 Å²	58	38 Å²	38	35%	0.352	19%	0.193	S	C	.	.	H	α-helix	trans	-71.2	-31.2	-176.8	-179.2	0	0	0	0	112.7	S292 A294 A344 T345	S292-V341 VanDerWaalsContact CB-CG1 3.49Å; S292-V341 WeakPolarHBondContact O-CG1 3.37Å; S292-V341 WeakPolarHBondContact O-CG2 3.44Å; S292-V341 WeakPolarHBondContact OG-CG1 3.27Å; A294-V341 HydrophobicContact CB-CG2 4.42Å; V341-A344 PolarHBondContact O-N 2.69Å; V341-T345 PolarHBondContact O-N 2.71Å; V341-T345 PolarHBondContact O-OG1 3.22Å
342	E	91.4	Very high	94.9	Very high	94 Å²	94	32 Å²	32	44%	0.439	17%	0.169	S	C	.	.	H	α-helix	trans	-70.6	-39.1	179.3	176.1	60.3	-150.8	0	0	110	D340 T345 R346	D340-E342 WeakPolarHBondContact OD1-CA 3.31Å; D340-E342 VanDerWaalsContact OD1-CB 3.26Å; D340-E342 WeakPolarHBondContact OD1-CB 3.31Å; D340-E342 PolarHBondContact OD1-N 2.87Å; E342-T345 WeakPolarHBondContact O-CB 3.25Å; E342-T345 PolarHBondContact O-N 2.78Å; E342-R346 VanDerWaalsContact O-CG 3.26Å; E342-R346 WeakPolarHBondContact O-CG 3.44Å; E342-R346 PolarHBondContact O-N 2.51Å; E342-R346 IonicContact OE1-NE 4Å; E342-R346 PolarHBondContact OE1-NE 3.37Å
343	S	94.6	Very high	94.9	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-57.8	-47.6	169.7	-69.4	0	0	0	0	111.8	G319 D340 T345 R346 L347	G319-S343 VanDerWaalsContact CA-OG 3.31Å; G319-S343 WeakPolarHBondContact CA-OG 3.47Å; D340-S343 VanDerWaalsContact CG-OG 3.28Å; D340-S343 WeakPolarHBondContact O-CB 3.38Å; D340-S343 PolarHBondContact OD1-N 2.86Å; D340-S343 PolarHBondContact OD1-OG 3.17Å; D340-S343 WeakPolarHBondContact OD2-CB 3.32Å; D340-S343 PolarHBondContact OD2-OG 3.23Å; S343-T345 VanDerWaalsContact C-N 3.3Å; S343-T345 PolarHBondContact O-N 3.11Å; S343-R346 PolarHBondContact O-N 3.15Å; S343-L347 WeakPolarHBondContact O-CG 3.44Å; S343-L347 PolarHBondContact O-N 3.36Å
344	A	95.2	Very high	94.9	Very high	1 Å²	1	34 Å²	34	1%	0.008	19%	0.187	C	C	.	.	H	α-helix	trans	-58.7	-40.8	173.4	0	0	0	0	0	112.6	V296 M338 D340 V341 L347 I348	V296-A344 HydrophobicContact CG1-CB 3.6Å; M338-A344 HydrophobicContact CB-CB 4.47Å; M338-A344 HydrophobicContact CG-CB 4.24Å; D340-A344 PolarHBondContact O-N 3.05Å; V341-A344 PolarHBondContact O-N 2.69Å; A344-L347 WeakPolarHBondContact O-CB 3.38Å; A344-L347 PolarHBondContact O-N 2.8Å; A344-I348 WeakPolarHBondContact O-CG1 3.48Å; A344-I348 PolarHBondContact O-N 2.8Å
345	T	94.5	Very high	94.7	Very high	55 Å²	55	37.1 Å²	37.1	34%	0.337	21%	0.208	S	C	.	.	H	α-helix	trans	-65.3	-41.2	177.5	-57.5	0	0	0	0	111.8	V341 E342 S343 L347 I348 R349	V341-T345 PolarHBondContact O-N 2.71Å; V341-T345 PolarHBondContact O-OG1 3.22Å; E342-T345 WeakPolarHBondContact O-CB 3.25Å; E342-T345 PolarHBondContact O-N 2.78Å; S343-T345 VanDerWaalsContact C-N 3.3Å; S343-T345 PolarHBondContact O-N 3.11Å; T345-L347 VanDerWaalsContact C-N 3.33Å; T345-L347 PolarHBondContact O-N 3.34Å; T345-I348 PolarHBondContact O-N 3.24Å; T345-R349 WeakPolarHBondContact O-CB 3.41Å; T345-R349 PolarHBondContact O-N 3.1Å
346	R	95.9	Very high	94.6	Very high	57 Å²	57	37.4 Å²	37.4	22%	0.215	21%	0.209	C	C	.	.	H	α-helix	trans	-61.6	-39.5	174.6	-68.4	160.8	-174.5	175	6.5	111.7	Y318 E342 S343 R349 N350	Y318-R346 HydrophobicContact CD1-CB 4.5Å; Y318-R346 WeakPolarHBondContact O-CD 3.32Å; E342-R346 VanDerWaalsContact O-CG 3.26Å; E342-R346 WeakPolarHBondContact O-CG 3.44Å; E342-R346 PolarHBondContact O-N 2.51Å; E342-R346 IonicContact OE1-NE 4Å; E342-R346 PolarHBondContact OE1-NE 3.37Å; S343-R346 PolarHBondContact O-N 3.15Å; R346-R349 PolarHBondContact O-N 3.08Å; R346-N350 WeakPolarHBondContact O-CB 2.85Å; R346-N350 PolarHBondContact O-N 3.17Å; R346-N350 PolarHBondContact O-ND2 3.47Å
347	L	97.2	Very high	94.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-61.1	-47.7	175.4	-66.7	-175.2	0	0	0	111.8	V296 L315 Y318 M338 S343 A344 T345 R349 N350 L351 V363	V296-L347 HydrophobicContact CG2-CD1 3.95Å; L315-L347 HydrophobicContact CB-CD1 4.43Å; L315-L347 HydrophobicContact CB-CD2 4.18Å; L315-L347 HydrophobicContact CD1-CD1 4.2Å; L315-L347 HydrophobicContact CD2-CD1 3.86Å; L315-L347 HydrophobicContact CD2-CD2 3.59Å; L315-L347 HydrophobicContact CD2-CG 4.31Å; L315-L347 HydrophobicContact CG-CD1 4.38Å; L315-L347 HydrophobicContact CG-CD2 4.41Å; Y318-L347 HydrophobicContact CD2-CD2 3.62Å; Y318-L347 HydrophobicContact CG-CD2 3.81Å; M338-L347 HydrophobicContact CE-CD1 3.72Å; M338-L347 HydrophobicContact CE-CD2 4.47Å; M338-L347 HydrophobicContact CE-CG 4.18Å; M338-L347 HydrophobicContact CG-CD1 3.79Å; M338-L347 HydrophobicContact SD-CD1 3.41Å; M338-L347 WeakPolarHBondContact SD-CD1 3.11Å; M338-L347 HydrophobicContact SD-CG 4.46Å; S343-L347 WeakPolarHBondContact O-CG 3.44Å; S343-L347 PolarHBondContact O-N 3.36Å; A344-L347 WeakPolarHBondContact O-CB 3.38Å; A344-L347 PolarHBondContact O-N 2.8Å; T345-L347 VanDerWaalsContact C-N 3.33Å; T345-L347 PolarHBondContact O-N 3.34Å; L347-R349 VanDerWaalsContact C-N 3.32Å; L347-R349 PolarHBondContact O-N 3.34Å; L347-N350 PolarHBondContact O-N 2.99Å; L347-L351 HydrophobicContact CD2-CD1 3.86Å; L347-L351 WeakPolarHBondContact O-CA 3.48Å; L347-L351 WeakPolarHBondContact O-CB 3.23Å; L347-L351 PolarHBondContact O-N 2.71Å; L347-V363 HydrophobicContact CB-CG1 4.15Å
348	I	95.7	Very high	93.8	Very high	42 Å²	42	40.8 Å²	40.8	22%	0.215	25%	0.247	C	C	.	.	H	α-helix	trans	-61.1	-44.6	179.4	-64.8	165.7	0	0	0	110.7	V296 A344 T345 S352 V363 T365	V296-I348 HydrophobicContact CG1-CD1 4.49Å; A344-I348 WeakPolarHBondContact O-CG1 3.48Å; A344-I348 PolarHBondContact O-N 2.8Å; T345-I348 PolarHBondContact O-N 3.24Å; I348-S352 WeakPolarHBondContact O-CB 3.24Å; I348-S352 PolarHBondContact O-N 3.43Å; I348-V363 HydrophobicContact CG1-CB 4.33Å; I348-V363 HydrophobicContact CG1-CG1 3.76Å; I348-T365 HydrophobicContact CD1-CG2 3.53Å
349	R	95.9	Very high	93.6	Very high	158 Å²	158	43.6 Å²	43.6	60%	0.596	26%	0.262	S	S	*	.	H	α-helix	trans	-63.6	-42.3	-179.3	-174.5	-179.1	71.5	-152.8	4.1	113.1	T345 R346 L347	T345-R349 WeakPolarHBondContact O-CB 3.41Å; T345-R349 PolarHBondContact O-N 3.1Å; R346-R349 PolarHBondContact O-N 3.08Å; L347-R349 VanDerWaalsContact C-N 3.32Å; L347-R349 PolarHBondContact O-N 3.34Å
350	N	96.1	Very high	93.8	Very high	20 Å²	20	47 Å²	47	11%	0.107	27%	0.267	C	S	.	.	H	α-helix	trans	-97.7	-28.5	-169.8	-63.6	-71.6	0	0	0	113.7	Y318 R346 L347 V354 P412	Y318-N350 HydrophobicContact CD1-CB 4.3Å; Y318-N350 HydrophobicContact CE1-CB 3.56Å; R346-N350 WeakPolarHBondContact O-CB 2.85Å; R346-N350 PolarHBondContact O-N 3.17Å; R346-N350 PolarHBondContact O-ND2 3.47Å; L347-N350 PolarHBondContact O-N 2.99Å; N350-V354 WeakPolarHBondContact O-CG2 3.44Å; N350-P412 WeakPolarHBondContact O-CD 3.18Å; N350-P412 WeakPolarHBondContact O-CG 2.84Å
351	L	96.5	Very high	94.2	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	25%	0.254	C	S	.	.	H	α-helix	trans	-111.6	-17.9	-170.5	-61.9	-177	0	0	0	114.9	I314 L315 Y318 L347 G353 V354 L361 V363 P412	I314-L351 HydrophobicContact CG2-CD1 3.82Å; I314-L351 HydrophobicContact CG2-CD2 4.33Å; L315-L351 HydrophobicContact CD2-CD1 3.54Å; Y318-L351 HydrophobicContact CD2-CD1 4.02Å; Y318-L351 HydrophobicContact CD2-CG 4.34Å; Y318-L351 HydrophobicContact CE2-CD1 3.81Å; Y318-L351 HydrophobicContact CE2-CD2 3.72Å; Y318-L351 HydrophobicContact CE2-CG 3.78Å; L347-L351 HydrophobicContact CD2-CD1 3.86Å; L347-L351 WeakPolarHBondContact O-CA 3.48Å; L347-L351 WeakPolarHBondContact O-CB 3.23Å; L347-L351 PolarHBondContact O-N 2.71Å; L351-G353 PolarHBondContact O-N 3.38Å; L351-V354 HydrophobicContact CD2-CG2 4.42Å; L351-V354 WeakPolarHBondContact O-CB 3.38Å; L351-V354 WeakPolarHBondContact O-CG2 3.35Å; L351-V354 PolarHBondContact O-N 3.38Å; L351-L361 HydrophobicContact CB-CD2 4.26Å; L351-V363 HydrophobicContact CB-CG2 3.98Å; L351-P412 HydrophobicContact CD2-CG 3.89Å
352	S	93.8	Very high	94.4	Very high	36 Å²	36	44.8 Å²	44.8	25%	0.252	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	119.7	178.7	-152.6	0	0	0	0	110	I348 V363	I348-S352 WeakPolarHBondContact O-CB 3.24Å; I348-S352 PolarHBondContact O-N 3.43Å; S352-V363 PolarHBondContact OG-N 3.41Å; S352-V363 VanDerWaalsContact OG-N 3.09Å; S352-V363 PolarHBondContact OG-O 3.23Å
353	G	93.9	Very high	94.7	Very high	34 Å²	34	40.3 Å²	40.3	35%	0.351	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	95	-1.4	-176.4	0	0	0	0	0	114.8	L351 Q360 L361	L351-G353 PolarHBondContact O-N 3.38Å; G353-Q360 VanDerWaalsContact O-CG 3.25Å; G353-Q360 WeakPolarHBondContact O-CG 3.48Å; G353-Q360 PolarHBondContact O-NE2 3.43Å; G353-L361 PolarHBondContact N-O 3.09Å
354	V	95.3	Very high	94.6	Very high	24 Å²	24	46.1 Å²	46.1	15%	0.145	25%	0.253	C	S	.	.			trans	-71.1	132.4	177.6	177.6	0	0	0	0	110.1	N350 L351 F356 Q360 L361 P412	N350-V354 WeakPolarHBondContact O-CG2 3.44Å; L351-V354 HydrophobicContact CD2-CG2 4.42Å; L351-V354 WeakPolarHBondContact O-CB 3.38Å; L351-V354 WeakPolarHBondContact O-CG2 3.35Å; L351-V354 PolarHBondContact O-N 3.38Å; V354-F356 HydrophobicContact CG1-CD1 4.2Å; V354-Q360 CarbonylContact O-C 3.52Å; V354-Q360 WeakPolarHBondContact O-CA 3.32Å; V354-L361 PolarHBondContact O-N 3.05Å; V354-P412 HydrophobicContact CG1-CB 4.48Å; V354-P412 HydrophobicContact CG1-CG 4.35Å; V354-P412 HydrophobicContact CG2-CB 4.42Å; V354-P412 HydrophobicContact CG2-CG 3.66Å
355	S	94.2	Very high	94.4	Very high	64 Å²	64	49.4 Å²	49.4	45%	0.448	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	124.2	176.9	-58.8	0	0	0	0	110.6	N359 A466	S355-N359 VanDerWaalsContact CA-O 3.28Å; S355-N359 WeakPolarHBondContact CA-O 3.39Å; S355-A466 WeakPolarHBondContact O-CA 3.26Å; S355-A466 WeakPolarHBondContact O-CB 3.23Å
356	F	93.9	Very high	94.2	Very high	17 Å²	17	47.2 Å²	47.2	8%	0.075	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	155.4	172.3	70.4	-78.9	0	0	0	109.4	M306 I314 V354 G358 N359 L361 C469	M306-F356 HydrophobicContact CE-CE2 4.35Å; M306-F356 HydrophobicContact CE-CZ 4.41Å; M306-F356 HydrophobicContact SD-CE2 4.05Å; I314-F356 HydrophobicContact CD1-CE1 4.39Å; I314-F356 HydrophobicContact CD1-CE2 3.68Å; I314-F356 HydrophobicContact CD1-CZ 3.53Å; V354-F356 HydrophobicContact CG1-CD1 4.2Å; F356-G358 PolarHBondContact O-N 3.17Å; F356-G358 VanDerWaalsContact O-N 3.09Å; F356-N359 PolarHBondContact N-O 3.3Å; F356-N359 PolarHBondContact O-N 2.61Å; F356-N359 VanDerWaalsContact O-N 3.11Å; F356-N359 VanDerWaalsContact O-O 3.04Å; F356-L361 HydrophobicContact CE1-CB 3.88Å; F356-L361 HydrophobicContact CE1-CD2 4Å; F356-L361 HydrophobicContact CE1-CG 4.45Å; F356-C469 HydrophobicContact CB-CB 3.9Å; F356-C469 HydrophobicContact CG-CB 4.21Å
357	M	91.5	Very high	93.8	Very high	14 Å²	14	53.4 Å²	53.4	7%	0.069	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.1	28	-175.9	-66.8	176.2	178.5	0	0	114.2	K305 M306 N359 E470 A473 L474	K305-M357 HydrophobicContact CB-CE 4.33Å; K305-M357 HydrophobicContact CB-CG 4.47Å; K305-M357 HydrophobicContact CB-SD 3.53Å; K305-M357 VanDerWaalsContact CB-SD 3.53Å; K305-M357 HydrophobicContact CD-CB 3.82Å; K305-M357 HydrophobicContact CD-CG 3.77Å; K305-M357 HydrophobicContact CD-SD 3.92Å; K305-M357 HydrophobicContact CG-SD 4.41Å; M306-M357 HydrophobicContact CG-SD 3.99Å; M306-M357 HydrophobicContact SD-CE 4.03Å; M306-M357 HydrophobicContact SD-SD 3.74Å; M357-N359 VanDerWaalsContact C-N 3.29Å; M357-N359 PolarHBondContact O-N 3.17Å; M357-E470 HydrophobicContact CE-CB 4.45Å; M357-E470 HydrophobicContact CE-CG 3.72Å; M357-E470 HydrophobicContact CG-CB 4.32Å; M357-E470 VanDerWaalsContact CG-CD 3.45Å; M357-E470 HydrophobicContact CG-CG 3.84Å; M357-E470 WeakPolarHBondContact CG-OE1 3.35Å; M357-A473 HydrophobicContact CE-CB 4.01Å; M357-L474 HydrophobicContact CE-CD1 4.34Å; M357-L474 HydrophobicContact CE-CD2 4.27Å; M357-L474 HydrophobicContact CE-CG 4.1Å
358	G	87.8	Confident	93.1	Very high	82 Å²	82	57.9 Å²	57.9	85%	0.845	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.8	-4.5	179.8	0	0	0	0	0	115.7	F356	F356-G358 PolarHBondContact O-N 3.17Å; F356-G358 VanDerWaalsContact O-N 3.09Å
359	N	93	Very high	92.4	Very high	60 Å²	60	62.1 Å²	62.1	32%	0.321	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	155.6	178.9	-70.3	-10.7	0	0	0	111.9	N300 D302 S355 F356 M357	N300-N359 WeakPolarHBondContact O-CB 3.45Å; N300-N359 PolarHBondContact O-ND2 2.8Å; N300-N359 VanDerWaalsContact O-ND2 3.13Å; D302-N359 PolarHBondContact N-ND2 2.93Å; S355-N359 VanDerWaalsContact CA-O 3.28Å; S355-N359 WeakPolarHBondContact CA-O 3.39Å; F356-N359 PolarHBondContact N-O 3.3Å; F356-N359 PolarHBondContact O-N 2.61Å; F356-N359 VanDerWaalsContact O-N 3.11Å; F356-N359 VanDerWaalsContact O-O 3.04Å; M357-N359 VanDerWaalsContact C-N 3.29Å; M357-N359 PolarHBondContact O-N 3.17Å
360	Q	94.4	Very high	91.9	Very high	111 Å²	111	58 Å²	58	52%	0.519	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	103.5	172.6	-166.1	177.7	11.4	0	0	110.1	N300 G353 V354 M362	N300-Q360 VanDerWaalsContact CB-O 3.27Å; N300-Q360 WeakPolarHBondContact CB-O 3.32Å; N300-Q360 PolarHBondContact ND2-O 3.44Å; G353-Q360 VanDerWaalsContact O-CG 3.25Å; G353-Q360 WeakPolarHBondContact O-CG 3.48Å; G353-Q360 PolarHBondContact O-NE2 3.43Å; V354-Q360 CarbonylContact O-C 3.52Å; V354-Q360 WeakPolarHBondContact O-CA 3.32Å; Q360-M362 PolarHBondContact O-N 2.95Å
361	L	96.4	Very high	91.5	Very high	8 Å²	8	57.1 Å²	57.1	4%	0.042	32%	0.32	C	S	.	.			trans	-62.7	130.2	-178.5	-179.7	70.2	0	0	0	110.1	L298 I301 L351 G353 V354 F356 V363	L298-L361 HydrophobicContact CB-CD1 4.28Å; I301-L361 HydrophobicContact CG1-CD1 3.95Å; L351-L361 HydrophobicContact CB-CD2 4.26Å; G353-L361 PolarHBondContact N-O 3.09Å; V354-L361 PolarHBondContact O-N 3.05Å; F356-L361 HydrophobicContact CE1-CB 3.88Å; F356-L361 HydrophobicContact CE1-CD2 4Å; F356-L361 HydrophobicContact CE1-CG 4.45Å; L361-V363 HydrophobicContact CD2-CG2 4.11Å; L361-V363 HydrophobicContact CG-CG2 4.17Å
362	M	95.6	Very high	90.8	Very high	62 Å²	62	63.4 Å²	63.4	31%	0.305	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	123.5	172.7	176.3	174.6	69.2	0	0	110.1	L298 Y299 Q360 R364	L298-M362 CarbonylContact C-O 3.46Å; L298-M362 WeakPolarHBondContact CA-O 3.35Å; Y299-M362 HydrophobicContact CD2-CE 3.41Å; Y299-M362 VanDerWaalsContact CD2-CE 3.41Å; Y299-M362 HydrophobicContact CD2-CG 4.34Å; Y299-M362 HydrophobicContact CE2-CE 4.11Å; Y299-M362 HydrophobicContact CG-CE 3.83Å; Y299-M362 PolarHBondContact N-O 3.27Å; Y299-M362 PolarHBondContact O-N 3.4Å; Y299-M362 VanDerWaalsContact O-N 3.09Å; Q360-M362 PolarHBondContact O-N 2.95Å; M362-R364 HydrophobicContact CG-CG 4.1Å; M362-R364 HydrophobicContact SD-CG 4.39Å
363	V	96.4	Very high	90.1	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	130.1	177.3	-169.5	0	0	0	0	109.3	V296 M297 L298 L347 I348 L351 S352 L361	V296-V363 HydrophobicContact CB-CG1 4.14Å; V296-V363 HydrophobicContact CG1-CG1 4.46Å; V296-V363 HydrophobicContact CG2-CG1 4.35Å; M297-V363 WeakPolarHBondContact O-CA 3.19Å; L298-V363 HydrophobicContact CD2-CB 4.24Å; L298-V363 HydrophobicContact CD2-CG1 3.92Å; L298-V363 HydrophobicContact CD2-CG2 3.67Å; L347-V363 HydrophobicContact CB-CG1 4.15Å; I348-V363 HydrophobicContact CG1-CB 4.33Å; I348-V363 HydrophobicContact CG1-CG1 3.76Å; L351-V363 HydrophobicContact CB-CG2 3.98Å; S352-V363 PolarHBondContact OG-N 3.41Å; S352-V363 VanDerWaalsContact OG-N 3.09Å; S352-V363 PolarHBondContact OG-O 3.23Å; L361-V363 HydrophobicContact CD2-CG2 4.11Å; L361-V363 HydrophobicContact CG-CG2 4.17Å
364	R	92.8	Very high	89.6	Confident	123 Å²	123	67 Å²	67	46%	0.464	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	155.7	178.7	-62.9	-65.7	178.8	-140.6	0.3	110.7	V296 M297 Y299 M362	V296-R364 CarbonylContact C-O 3.57Å; V296-R364 VanDerWaalsContact CA-O 3.31Å; V296-R364 WeakPolarHBondContact CA-O 3.14Å; V296-R364 WeakPolarHBondContact CB-O 3.39Å; M297-R364 PolarHBondContact N-O 3.31Å; M297-R364 PolarHBondContact O-N 3.07Å; Y299-R364 HydrophobicContact CD2-CG 4.48Å; Y299-R364 HydrophobicContact CE2-CB 4.24Å; Y299-R364 HydrophobicContact CE2-CG 4.15Å; M362-R364 HydrophobicContact CG-CG 4.1Å; M362-R364 HydrophobicContact SD-CG 4.39Å
365	T	92.3	Very high	88.8	Confident	69 Å²	69	72.1 Å²	72.1	42%	0.423	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	144.9	169.8	43.5	0	0	0	0	110.9	I348	I348-T365 HydrophobicContact CD1-CG2 3.53Å
366	S	90.1	Very high	88.5	Confident	10 Å²	10	73.8 Å²	73.8	7%	0.07	41%	0.412	C	S	.	.			trans	-88.1	167.1	169.9	-170.2	0	0	0	0	110.6	T293 V295 Q368	T293-S366 PolarHBondContact OG1-O 3.2Å; T293-S366 VanDerWaalsContact OG1-O 3.08Å; V295-S366 VanDerWaalsContact O-CB 3.22Å; V295-S366 WeakPolarHBondContact O-CB 3.25Å; V295-S366 PolarHBondContact O-N 3.25Å; S366-Q368 PolarHBondContact OG-N 3.38Å
367	K	86.7	Confident	88.5	Confident	187 Å²	187	75.2 Å²	75.2	81%	0.813	42%	0.422	S	S	*	.	S	Bend	trans	-92.7	-5.2	167.7	-63.8	-176	-179.3	-179.2	0	112.5
368	Q	81.9	Confident	88.6	Confident	93 Å²	93	76.1 Å²	76.1	44%	0.435	43%	0.426	S	S	.	.			trans	-93.9	139.4	-178.5	-68.1	175.2	6.2	0	0	110.1	T293 V295 S366	T293-Q368 VanDerWaalsContact CB-O 3.31Å; T293-Q368 WeakPolarHBondContact CB-O 3.43Å; T293-Q368 WeakPolarHBondContact CG2-O 3.43Å; T293-Q368 PolarHBondContact OG1-O 2.87Å; V295-Q368 VanDerWaalsContact CB-O 3.26Å; V295-Q368 WeakPolarHBondContact CB-O 3.43Å; V295-Q368 VanDerWaalsContact CG2-O 3.27Å; V295-Q368 WeakPolarHBondContact CG2-O 3.21Å; S366-Q368 PolarHBondContact OG-N 3.38Å
369	D	81.2	Confident	88.9	Confident	132 Å²	132	79.6 Å²	79.6	71%	0.706	42%	0.42	S	S	*	.	S	Bend	trans	-82.4	-28.9	178.5	-61.9	-44.9	0	0	0	112.5	T293	T293-D369 WeakPolarHBondContact CG2-OD1 3.39Å
370	V	86.4	Confident	89.1	Confident	71 Å²	71	77.1 Å²	77.1	43%	0.43	41%	0.407	S	S	.	.	S	Bend	trans	-145.7	149.7	-176.7	66.7	0	0	0	0	110.6	L372	V370-L372 HydrophobicContact CG1-CD2 4.44Å
371	I	87.7	Confident	89.1	Confident	2 Å²	2	76.1 Å²	76.1	1%	0.01	41%	0.41	C	S	.	.	P	Polyproline II helix	trans	-93.2	120.2	170.3	-60.9	-177.1	0	0	0	108.5	V295 R323 K325 M335 E337 F387	V295-I371 HydrophobicContact CG1-CD1 4.1Å; V295-I371 HydrophobicContact CG1-CG1 3.93Å; V295-I371 HydrophobicContact CG2-CG1 4.24Å; R323-I371 HydrophobicContact CB-CB 4.21Å; R323-I371 HydrophobicContact CB-CD1 4.37Å; R323-I371 HydrophobicContact CB-CG2 4.28Å; R323-I371 WeakPolarHBondContact CD-O 3.29Å; K325-I371 HydrophobicContact CB-CG2 4.17Å; K325-I371 HydrophobicContact CD-CG2 3.95Å; M335-I371 HydrophobicContact CB-CD1 3.72Å; M335-I371 HydrophobicContact CE-CB 4.43Å; M335-I371 HydrophobicContact CE-CD1 3.9Å; M335-I371 HydrophobicContact CE-CG1 3.58Å; M335-I371 HydrophobicContact CE-CG2 4.34Å; E337-I371 HydrophobicContact CB-CB 4.31Å; E337-I371 HydrophobicContact CB-CD1 3.83Å; E337-I371 HydrophobicContact CB-CG1 3.9Å; E337-I371 VanDerWaalsContact N-CD1 3.31Å; E337-I371 PolarHBondContact OE2-N 3.47Å; I371-F387 HydrophobicContact CG2-CE2 4.11Å
372	L	81.1	Confident	89	Confident	132 Å²	132	79.5 Å²	79.5	69%	0.691	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-72.3	143.8	172.7	-58.6	177.5	0	0	0	111	V370	V370-L372 HydrophobicContact CG1-CD2 4.44Å
373	D	79.4	Confident	89	Confident	109 Å²	109	78.5 Å²	78.5	58%	0.583	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-56.8	146	173.7	-77.7	-14	0	0	0	111.7	R323 F387	R323-D373 IonicContact CZ-OD1 2.7Å; R323-D373 IonicContact NE-OD1 3.89Å; R323-D373 PolarHBondContact NE-OD1 2.99Å; R323-D373 IonicContact NH2-OD1 2.7Å; D373-F387 HydrophobicContact CB-CE1 4.48Å; D373-F387 HydrophobicContact CB-CZ 4.36Å; D373-F387 VanDerWaalsContact OD1-CZ 3.32Å; D373-F387 WeakPolarHBondContact OD1-CZ 3.25Å
374	V	83.2	Confident	89	Confident	36 Å²	36	79.5 Å²	79.5	22%	0.218	44%	0.44	C	S	.	.			trans	-110.1	108.4	179.9	-175.7	0	0	0	0	108.4	K325 S376 P377 F387	K325-V374 HydrophobicContact CD-CG2 3.84Å; K325-V374 HydrophobicContact CG-CG2 4.3Å; V374-S376 VanDerWaalsContact C-N 3.28Å; V374-S376 PolarHBondContact O-N 3.01Å; V374-P377 HydrophobicContact CG1-CG 4.41Å; V374-P377 WeakPolarHBondContact O-CD 2.95Å; V374-F387 HydrophobicContact CB-CB 3.94Å; V374-F387 HydrophobicContact CB-CD1 3.93Å; V374-F387 HydrophobicContact CB-CD2 4.24Å; V374-F387 HydrophobicContact CB-CG 3.76Å; V374-F387 HydrophobicContact CG2-CB 4.04Å; V374-F387 HydrophobicContact CG2-CD1 4.32Å; V374-F387 HydrophobicContact CG2-CD2 3.73Å; V374-F387 HydrophobicContact CG2-CE2 4.27Å; V374-F387 HydrophobicContact CG2-CG 3.76Å
375	S	79.8	Confident	89.2	Confident	132 Å²	132	76 Å²	76	92%	0.923	43%	0.434	S	S	*	.	S	Bend	trans	-63.2	-31.6	-179.2	52.9	0	0	0	0	113.6
376	S	87.4	Confident	89.4	Confident	100 Å²	100	72.8 Å²	72.8	70%	0.699	41%	0.414	S	S	*	.	S	Bend	trans	-133	84.1	176.7	-170.2	0	0	0	0	110.9	V374	V374-S376 VanDerWaalsContact C-N 3.28Å; V374-S376 PolarHBondContact O-N 3.01Å
377	P	93	Very high	89.8	Confident	46 Å²	46	73.3 Å²	73.3	30%	0.299	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-62.8	142.3	173	-17.8	31.6	0	0	0	110.3	V374 P385 F387	V374-P377 HydrophobicContact CG1-CG 4.41Å; V374-P377 WeakPolarHBondContact O-CD 2.95Å; P377-P385 HydrophobicContact CB-CB 3.9Å; P377-P385 HydrophobicContact CG-CB 4.42Å; P377-F387 HydrophobicContact CB-CB 3.95Å; P377-F387 HydrophobicContact CG-CB 3.99Å; P377-F387 HydrophobicContact CG-CD1 4.37Å
378	F	93.5	Very high	90.3	Very high	34 Å²	34	67.6 Å²	67.6	15%	0.149	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-81.7	160.5	172.8	67.1	-91.9	0	0	0	110.9	F326 R328 L380 S386	F326-F378 HydrophobicContact CB-CZ 3.91Å; F326-F378 WeakPolarHBondContact O-CE1 3.44Å; R328-F378 HydrophobicContact CB-CD1 4.08Å; R328-F378 HydrophobicContact CB-CE1 3.78Å; R328-F378 HydrophobicContact CB-CZ 4.23Å; F378-L380 HydrophobicContact CE2-CD2 3.83Å; F378-L380 HydrophobicContact CZ-CD2 4.39Å; F378-S386 VanDerWaalsContact CD1-CB 3.41Å; F378-S386 WeakPolarHBondContact CD1-OG 3.43Å; F378-S386 WeakPolarHBondContact CE1-OG 3.42Å; F378-S386 VanDerWaalsContact CZ-CB 3.45Å; F378-S386 PolarHBondContact N-OG 3.02Å; F378-S386 WeakPolarHBondContact O-CB 3.46Å; F378-S386 PolarHBondContact O-N 2.93Å; F378-S386 PolarHBondContact O-OG 3.17Å
379	Q	95.6	Very high	90.8	Very high	155 Å²	155	66.2 Å²	66.2	72%	0.724	39%	0.386	S	S	*	.	B	Isolated β-bridge	trans	-82.5	132.3	175.9	-74.5	-179.8	-14.6	0	0	110.9
380	L	95.7	Very high	91.4	Very high	7 Å²	7	60.1 Å²	60.1	4%	0.037	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-75.6	167.2	166.3	-63.1	177	0	0	0	109.9	M303 N307 F326 F378 D382 G383 S384	M303-L380 HydrophobicContact CE-CD2 3.66Å; N307-L380 HydrophobicContact CB-CD1 3.84Å; F326-L380 HydrophobicContact CB-CD2 4Å; F326-L380 HydrophobicContact CD1-CD2 4.06Å; F326-L380 HydrophobicContact CD2-CD1 3.95Å; F326-L380 HydrophobicContact CD2-CD2 4.38Å; F326-L380 HydrophobicContact CE2-CD1 4.04Å; F326-L380 HydrophobicContact CG-CD1 4.27Å; F326-L380 HydrophobicContact CG-CD2 3.89Å; F326-L380 HydrophobicContact CZ-CD1 4.4Å; F378-L380 HydrophobicContact CE2-CD2 3.83Å; F378-L380 HydrophobicContact CZ-CD2 4.39Å; L380-D382 PolarHBondContact O-N 2.91Å; L380-G383 PolarHBondContact O-N 3.49Å; L380-S384 PolarHBondContact N-O 3.37Å
381	P	94.9	Very high	91.3	Very high	90 Å²	90	59.3 Å²	59.3	58%	0.584	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-22.8	-176.6	-31.1	40.1	0	0	0	115.9	M303 G383	M303-P381 VanDerWaalsContact O-CD 3.27Å; M303-P381 WeakPolarHBondContact O-CD 2.95Å; M303-P381 VanDerWaalsContact O-CG 3.23Å; M303-P381 WeakPolarHBondContact O-CG 3.47Å; P381-G383 VanDerWaalsContact C-N 3.33Å
382	D	94.4	Very high	91	Very high	80 Å²	80	67.3 Å²	67.3	43%	0.428	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	4.3	175.4	70.7	-12.3	0	0	0	113.8	N307 L380 S384	N307-D382 WeakPolarHBondContact CB-OD2 3.28Å; N307-D382 PolarHBondContact ND2-OD2 3.1Å; L380-D382 PolarHBondContact O-N 2.91Å; D382-S384 VanDerWaalsContact C-N 3.29Å; D382-S384 PolarHBondContact O-N 3.16Å; D382-S384 WeakPolarHBondContact OD1-CB 3.47Å; D382-S384 PolarHBondContact OD1-N 2.73Å; D382-S384 PolarHBondContact OD1-OG 2.72Å; D382-S384 PolarHBondContact OD2-OG 2.91Å
383	G	95.8	Very high	91.3	Very high	41 Å²	41	63.2 Å²	63.2	42%	0.423	36%	0.364	S	S	.	.	S	Bend	trans	83.8	-6	-177.3	0	0	0	0	0	114.7	L380 P381	L380-G383 PolarHBondContact O-N 3.49Å; P381-G383 VanDerWaalsContact C-N 3.33Å
384	S	96.4	Very high	91.5	Very high	20 Å²	20	61.2 Å²	61.2	14%	0.14	35%	0.348	C	S	.	.			trans	-73.6	155.3	178.4	73	0	0	0	0	112	N307 L380 D382	N307-S384 WeakPolarHBondContact CB-OG 3.25Å; L380-S384 PolarHBondContact N-O 3.37Å; D382-S384 VanDerWaalsContact C-N 3.29Å; D382-S384 PolarHBondContact O-N 3.16Å; D382-S384 WeakPolarHBondContact OD1-CB 3.47Å; D382-S384 PolarHBondContact OD1-N 2.73Å; D382-S384 PolarHBondContact OD1-OG 2.72Å; D382-S384 PolarHBondContact OD2-OG 2.91Å
385	P	96.7	Very high	92	Very high	49 Å²	49	60.2 Å²	60.2	32%	0.318	34%	0.342	S	S	.	.	B	Isolated β-bridge	trans	-71.5	143.6	179.9	29.4	-35.4	0	0	0	111.9	C308 P377 F387 K388	C308-P385 PolarHBondContact SG-O 2.88Å; P377-P385 HydrophobicContact CB-CB 3.9Å; P377-P385 HydrophobicContact CG-CB 4.42Å; P385-F387 PolarHBondContact O-N 2.82Å; P385-K388 HydrophobicContact CG-CG 4.17Å
386	S	97	Very high	92.5	Very high	3 Å²	3	54.1 Å²	54.1	2%	0.021	30%	0.299	C	S	.	.	S	Bend	trans	-69.5	-7	176	71.7	0	0	0	0	114.1	C308 K325 F326 F378	C308-S386 VanDerWaalsContact SG-C 3.58Å; K325-S386 CarbonylContact C-O 3.59Å; K325-S386 WeakPolarHBondContact CA-O 3.5Å; F326-S386 PolarHBondContact N-O 2.9Å; F378-S386 VanDerWaalsContact CD1-CB 3.41Å; F378-S386 WeakPolarHBondContact CD1-OG 3.43Å; F378-S386 WeakPolarHBondContact CE1-OG 3.42Å; F378-S386 VanDerWaalsContact CZ-CB 3.45Å; F378-S386 PolarHBondContact N-OG 3.02Å; F378-S386 WeakPolarHBondContact O-CB 3.46Å; F378-S386 PolarHBondContact O-N 2.93Å; F378-S386 PolarHBondContact O-OG 3.17Å
387	F	97.8	Very high	92.6	Very high	20 Å²	20	49.9 Å²	49.9	9%	0.088	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	133.2	-179.5	172.4	-97.2	0	0	0	109.6	R323 V324 K325 I371 D373 V374 P377 P385	R323-F387 HydrophobicContact CB-CE2 4.1Å; R323-F387 HydrophobicContact CG-CE2 4.14Å; R323-F387 HydrophobicContact CG-CZ 4.15Å; V324-F387 VanDerWaalsContact O-CA 3.28Å; V324-F387 WeakPolarHBondContact O-CA 3.46Å; V324-F387 WeakPolarHBondContact O-CD2 3.11Å; K325-F387 HydrophobicContact CB-CD2 3.98Å; K325-F387 HydrophobicContact CG-CD2 4.24Å; I371-F387 HydrophobicContact CG2-CE2 4.11Å; D373-F387 HydrophobicContact CB-CE1 4.48Å; D373-F387 HydrophobicContact CB-CZ 4.36Å; D373-F387 VanDerWaalsContact OD1-CZ 3.32Å; D373-F387 WeakPolarHBondContact OD1-CZ 3.25Å; V374-F387 HydrophobicContact CB-CB 3.94Å; V374-F387 HydrophobicContact CB-CD1 3.93Å; V374-F387 HydrophobicContact CB-CD2 4.24Å; V374-F387 HydrophobicContact CB-CG 3.76Å; V374-F387 HydrophobicContact CG2-CB 4.04Å; V374-F387 HydrophobicContact CG2-CD1 4.32Å; V374-F387 HydrophobicContact CG2-CD2 3.73Å; V374-F387 HydrophobicContact CG2-CE2 4.27Å; V374-F387 HydrophobicContact CG2-CG 3.76Å; P377-F387 HydrophobicContact CB-CB 3.95Å; P377-F387 HydrophobicContact CG-CB 3.99Å; P377-F387 HydrophobicContact CG-CD1 4.37Å; P385-F387 PolarHBondContact O-N 2.82Å
388	K	96.9	Very high	92.5	Very high	67 Å²	67	48.8 Å²	48.8	29%	0.291	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	141	170.5	-93.3	-178.2	169.1	-178.7	0	110.1	C308 D309 R323 V324 P385 Y390	C308-K388 HydrophobicContact CB-CB 4.05Å; C308-K388 HydrophobicContact CB-CD 4.11Å; C308-K388 HydrophobicContact CB-CG 4.36Å; D309-K388 IonicContact OD1-NZ 2.79Å; D309-K388 PolarHBondContact OD1-NZ 2.88Å; D309-K388 IonicContact OD2-NZ 3.87Å; D309-K388 PolarHBondContact OD2-NZ 2.75Å; R323-K388 WeakPolarHBondContact CA-O 3.23Å; V324-K388 PolarHBondContact N-O 3.07Å; V324-K388 PolarHBondContact O-N 2.88Å; V324-K388 VanDerWaalsContact O-N 3.08Å; P385-K388 HydrophobicContact CG-CG 4.17Å; K388-Y390 HydrophobicContact CB-CD2 4.14Å; K388-Y390 HydrophobicContact CB-CE2 3.44Å; K388-Y390 VanDerWaalsContact CB-CE2 3.44Å; K388-Y390 HydrophobicContact CD-CE1 4.38Å; K388-Y390 HydrophobicContact CD-CE2 4.38Å; K388-Y390 WeakPolarHBondContact CD-OH 3.32Å
389	D	92.1	Very high	91.8	Very high	65 Å²	65	48.5 Å²	48.5	35%	0.348	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	122.2	168.8	-171.6	-42.1	0	0	0	108.7	I322 R323 S391	I322-D389 CarbonylContact O-C 3.58Å; R323-D389 HydrophobicContact CG-CB 4.35Å; R323-D389 IonicContact CZ-OD2 2.75Å; R323-D389 IonicContact NE-OD2 2.66Å; R323-D389 PolarHBondContact NE-OD2 2.86Å; R323-D389 IonicContact NH2-OD2 2.88Å; R323-D389 PolarHBondContact NH2-OD2 3.23Å; D389-S391 WeakPolarHBondContact OD1-CB 3.13Å; D389-S391 PolarHBondContact OD1-N 2.78Å; D389-S391 PolarHBondContact OD1-OG 3.42Å
390	Y	95.1	Very high	90.9	Very high	4 Å²	4	41.4 Å²	41.4	2%	0.016	23%	0.226	C	C	.	.			trans	-111.4	7	178.2	-64.8	-84.7	0	0	0	112.3	C308 D309 F312 V321 I322 V324 K388 K392 D393 N396	C308-Y390 HydrophobicContact CB-CE2 4.25Å; C308-Y390 VanDerWaalsContact CB-OH 3.3Å; C308-Y390 WeakPolarHBondContact CB-OH 3.24Å; C308-Y390 PolarHBondContact O-OH 2.84Å; D309-Y390 WeakPolarHBondContact CA-OH 3.22Å; D309-Y390 PolarHBondContact N-OH 3.38Å; D309-Y390 VanDerWaalsContact N-OH 3.11Å; D309-Y390 PolarHBondContact OD1-OH 2.57Å; F312-Y390 HydrophobicContact CB-CD1 4.24Å; F312-Y390 HydrophobicContact CB-CE1 3.85Å; F312-Y390 HydrophobicContact CB-CE2 4.13Å; F312-Y390 HydrophobicContact CD1-CD1 4.34Å; F312-Y390 HydrophobicContact CD1-CE1 4.24Å; F312-Y390 AromaticContact CD2-CD1 3.4Å; F312-Y390 HydrophobicContact CD2-CD1 3.4Å; F312-Y390 HydrophobicContact CD2-CD2 4.1Å; F312-Y390 AromaticContact CD2-CE1 3.89Å; F312-Y390 HydrophobicContact CD2-CE1 3.89Å; F312-Y390 AromaticContact CD2-CG 3.53Å; F312-Y390 HydrophobicContact CD2-CG 3.53Å; F312-Y390 AromaticContact CE2-CD1 3.76Å; F312-Y390 HydrophobicContact CE2-CD1 3.76Å; F312-Y390 AromaticContact CE2-CG 3.98Å; F312-Y390 HydrophobicContact CE2-CG 3.98Å; F312-Y390 AromaticContact CG-CD1 3.73Å; F312-Y390 HydrophobicContact CG-CD1 3.73Å; F312-Y390 AromaticContact CG-CE1 3.72Å; F312-Y390 HydrophobicContact CG-CE1 3.72Å; F312-Y390 HydrophobicContact CG-CG 4.21Å; F312-Y390 HydrophobicContact CZ-CD1 4.37Å; V321-Y390 HydrophobicContact CG1-CD2 4.21Å; V321-Y390 CarbonylContact O-C 3.58Å; V321-Y390 VanDerWaalsContact O-CB 3.28Å; V321-Y390 WeakPolarHBondContact O-CB 3.1Å; I322-Y390 CarbonylContact O-C 3.59Å; I322-Y390 WeakPolarHBondContact O-CA 3.34Å; I322-Y390 PolarHBondContact O-N 2.78Å; V324-Y390 HydrophobicContact CB-CD2 4.48Å; V324-Y390 HydrophobicContact CB-CE2 4.03Å; V324-Y390 HydrophobicContact CG2-CD2 3.94Å; V324-Y390 HydrophobicContact CG2-CE2 3.72Å; K388-Y390 HydrophobicContact CB-CD2 4.14Å; K388-Y390 HydrophobicContact CB-CE2 3.44Å; K388-Y390 VanDerWaalsContact CB-CE2 3.44Å; K388-Y390 HydrophobicContact CD-CE1 4.38Å; K388-Y390 HydrophobicContact CD-CE2 4.38Å; K388-Y390 WeakPolarHBondContact CD-OH 3.32Å; Y390-K392 PolarHBondContact O-N 2.75Å; Y390-D393 HydrophobicContact CD1-CB 3.9Å; Y390-D393 HydrophobicContact CG-CB 4.45Å; Y390-D393 VanDerWaalsContact O-CB 3.31Å; Y390-D393 WeakPolarHBondContact O-CB 3.31Å; Y390-D393 PolarHBondContact O-N 2.82Å; Y390-N396 PolarHBondContact O-ND2 3.43Å
391	S	84.7	Confident	89.8	Confident	53 Å²	53	43.1 Å²	43.1	37%	0.371	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-30.2	179.9	64.2	0	0	0	0	113	I322 D389	I322-S391 PolarHBondContact O-N 2.88Å; I322-S391 VanDerWaalsContact O-N 3.1Å; D389-S391 WeakPolarHBondContact OD1-CB 3.13Å; D389-S391 PolarHBondContact OD1-N 2.78Å; D389-S391 PolarHBondContact OD1-OG 3.42Å
392	K	80.3	Confident	88.9	Confident	171 Å²	171	40.9 Å²	40.9	74%	0.743	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.6	7.7	177.3	-58.8	-179.5	-177.4	179.3	0	113.4	Y390 R394	Y390-K392 PolarHBondContact O-N 2.75Å; K392-R394 PolarHBondContact O-N 2.88Å
393	D	87.7	Confident	88.2	Confident	45 Å²	45	37.9 Å²	37.9	24%	0.241	21%	0.207	C	C	.	.			trans	-72.7	125.6	-178.5	-161.2	-63.5	0	0	0	110.7	F312 Y390 N395 N396	F312-D393 HydrophobicContact CE2-CB 4.33Å; F312-D393 HydrophobicContact CZ-CB 4.26Å; Y390-D393 HydrophobicContact CD1-CB 3.9Å; Y390-D393 HydrophobicContact CG-CB 4.45Å; Y390-D393 VanDerWaalsContact O-CB 3.31Å; Y390-D393 WeakPolarHBondContact O-CB 3.31Å; Y390-D393 PolarHBondContact O-N 2.82Å; D393-N395 PolarHBondContact O-N 2.91Å; D393-N395 VanDerWaalsContact OD1-CB 3.25Å; D393-N395 WeakPolarHBondContact OD1-CB 3.49Å; D393-N395 PolarHBondContact OD1-N 2.91Å; D393-N395 PolarHBondContact OD1-ND2 3.02Å; D393-N396 WeakPolarHBondContact O-CB 3.38Å; D393-N396 PolarHBondContact O-N 2.82Å
394	R	83.9	Confident	87.4	Confident	67 Å²	67	37.3 Å²	37.3	25%	0.253	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-19.4	179	62.8	-164.1	-162.3	-150.4	-5	115.3	G227 H228 Y229 K392 N396	G227-R394 VanDerWaalsContact O-CA 3.23Å; G227-R394 WeakPolarHBondContact O-CA 3.04Å; G227-R394 WeakPolarHBondContact O-CB 3.19Å; H228-R394 WeakPolarHBondContact ND1-CB 3.41Å; H228-R394 VanDerWaalsContact ND1-CD 3.33Å; H228-R394 WeakPolarHBondContact ND1-CD 3.35Å; Y229-R394 PolarHBondContact O-NH1 2.96Å; K392-R394 PolarHBondContact O-N 2.88Å; R394-N396 VanDerWaalsContact C-N 3.29Å
395	N	92.5	Very high	86.7	Confident	15 Å²	15	44.2 Å²	44.2	8%	0.08	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-0.3	-178.5	-61.3	-57.8	0	0	0	112.6	F312 D393 R397 H477	F312-N395 HydrophobicContact CE1-CB 3.58Å; F312-N395 HydrophobicContact CZ-CB 3.67Å; D393-N395 PolarHBondContact O-N 2.91Å; D393-N395 VanDerWaalsContact OD1-CB 3.25Å; D393-N395 WeakPolarHBondContact OD1-CB 3.49Å; D393-N395 PolarHBondContact OD1-N 2.91Å; D393-N395 PolarHBondContact OD1-ND2 3.02Å; N395-R397 VanDerWaalsContact O-CG 3.25Å; N395-R397 WeakPolarHBondContact O-CG 3.4Å; N395-H477 PolarHBondContact OD1-CD2 2.62Å
396	N	90.9	Very high	86.1	Confident	4 Å²	4	49.3 Å²	49.3	2%	0.021	24%	0.244	C	C	.	.			trans	-65.5	133	165.1	-84.2	-39.2	0	0	0	110.1	F312 N320 V321 Y390 D393 R394 T399	F312-N396 WeakPolarHBondContact CE2-OD1 3.45Å; N320-N396 VanDerWaalsContact CA-OD1 3.31Å; N320-N396 WeakPolarHBondContact CA-OD1 3.28Å; N320-N396 HydrophobicContact CB-CB 4.2Å; N320-N396 WeakPolarHBondContact OD1-CB 3.46Å; V321-N396 PolarHBondContact N-OD1 3.31Å; V321-N396 PolarHBondContact O-ND2 3.29Å; Y390-N396 PolarHBondContact O-ND2 3.43Å; D393-N396 WeakPolarHBondContact O-CB 3.38Å; D393-N396 PolarHBondContact O-N 2.82Å; R394-N396 VanDerWaalsContact C-N 3.29Å; N396-T399 HydrophobicContact CB-CG2 3.39Å; N396-T399 WeakPolarHBondContact O-CG2 3.44Å
397	R	89.7	Confident	85.7	Confident	11 Å²	11	50.7 Å²	50.7	4%	0.042	25%	0.25	C	S	.	.	S	Bend	trans	-110.7	-14	-163.2	-49.9	-175.6	-179.3	-175.1	-3.4	114.6	I317 N320 N395 M403 A404 N407 W419 N476 H477 F493	I317-R397 VanDerWaalsContact CG2-NH1 3.26Å; N320-R397 PolarHBondContact OD1-N 3.41Å; N395-R397 VanDerWaalsContact O-CG 3.25Å; N395-R397 WeakPolarHBondContact O-CG 3.4Å; R397-M403 CarbonylContact O-C 3.53Å; R397-M403 VanDerWaalsContact O-C 3.22Å; R397-M403 VanDerWaalsContact O-CB 3.32Å; R397-M403 WeakPolarHBondContact O-CB 3.36Å; R397-A404 PolarHBondContact O-N 3.21Å; R397-N407 WeakPolarHBondContact CD-OD1 3.47Å; R397-N407 PolarHBondContact O-ND2 3.3Å; R397-N407 VanDerWaalsContact O-ND2 3.1Å; R397-W419 VanDerWaalsContact NH1-CH2 3.34Å; R397-N476 PolarHBondContact NH2-ND2 3.3Å; R397-N476 PolarHBondContact NH2-OD1 3.38Å; R397-H477 PolarHBondContact NH2-NE2 2.63Å; R397-F493 VanDerWaalsContact CZ-O 3.25Å; R397-F493 PolarHBondContact NH1-O 2.9Å; R397-F493 PolarHBondContact NH2-O 2.89Å
398	Y	90	Very high	85.4	Confident	24 Å²	24	59.5 Å²	59.5	9%	0.094	28%	0.283	C	S	.	.			trans	-113.9	22.4	-175.9	-62.8	-90	0	0	0	110.4	C316 I317 G319 N320 A404 N407 I409	C316-Y398 WeakPolarHBondContact O-CE2 3.35Å; I317-Y398 WeakPolarHBondContact O-CE2 3.19Å; I317-Y398 PolarHBondContact O-OH 3.12Å; G319-Y398 VanDerWaalsContact N-CE2 3.35Å; N320-Y398 PolarHBondContact ND2-O 2.95Å; N320-Y398 VanDerWaalsContact OD1-CA 3.32Å; N320-Y398 WeakPolarHBondContact OD1-CA 3.24Å; N320-Y398 WeakPolarHBondContact OD1-CB 3.35Å; N320-Y398 PolarHBondContact OD1-N 2.95Å; Y398-A404 HydrophobicContact CD1-CB 3.7Å; Y398-A404 HydrophobicContact CG-CB 4.46Å; Y398-N407 HydrophobicContact CE1-CB 3.81Å; Y398-N407 HydrophobicContact CE2-CB 4.36Å; Y398-N407 WeakPolarHBondContact OH-CB 3.23Å; Y398-I409 HydrophobicContact CE1-CD1 4.08Å; Y398-I409 HydrophobicContact CE1-CG1 4.37Å; Y398-I409 WeakPolarHBondContact OH-CG1 3.2Å
399	T	79.1	Confident	85.2	Confident	27 Å²	27	58.7 Å²	58.7	17%	0.166	28%	0.281	C	S	.	.	S	Bend	trans	-58.5	-64.9	-175.7	49.3	0	0	0	0	104.2	Q225 N320 N396 M403	Q225-T399 HydrophobicContact CB-CG2 4.2Å; Q225-T399 WeakPolarHBondContact CB-OG1 3.37Å; Q225-T399 PolarHBondContact NE2-O 3.06Å; Q225-T399 VanDerWaalsContact NE2-O 3.15Å; Q225-T399 PolarHBondContact O-OG1 3.17Å; Q225-T399 PolarHBondContact OE1-O 3.27Å; N320-T399 VanDerWaalsContact ND2-CA 3.31Å; N320-T399 WeakPolarHBondContact ND2-CA 3.4Å; N320-T399 PolarHBondContact ND2-N 3.12Å; N320-T399 WeakPolarHBondContact OD1-CG2 3.33Å; N320-T399 PolarHBondContact OD1-N 3.47Å; N320-T399 VanDerWaalsContact OD1-N 3.1Å; N396-T399 HydrophobicContact CB-CG2 3.39Å; N396-T399 WeakPolarHBondContact O-CG2 3.44Å; T399-M403 PolarHBondContact OG1-SD 3.49Å; T399-M403 VanDerWaalsContact OG1-SD 3.41Å
400	T	76.7	Confident	85.3	Confident	6 Å²	6	57.7 Å²	57.7	4%	0.037	28%	0.275	C	S	.	.	S	Bend	trans	-105.4	167.2	174.9	51.5	0	0	0	0	114.1	C222 N223 F224 Q225 I402 M403 A404	C222-T400 WeakPolarHBondContact O-CB 3.46Å; N223-T400 VanDerWaalsContact CA-CB 3.49Å; N223-T400 WeakPolarHBondContact O-CB 3.49Å; N223-T400 PolarHBondContact O-OG1 3.25Å; F224-T400 VanDerWaalsContact C-OG1 3.26Å; F224-T400 WeakPolarHBondContact CA-OG1 3.35Å; F224-T400 VanDerWaalsContact N-CB 3.26Å; F224-T400 PolarHBondContact N-OG1 2.96Å; Q225-T400 HydrophobicContact CB-CG2 3.54Å; Q225-T400 HydrophobicContact CG-CG2 3.59Å; Q225-T400 VanDerWaalsContact N-CB 3.32Å; Q225-T400 PolarHBondContact N-OG1 3.22Å; Q225-T400 VanDerWaalsContact OE1-N 3.07Å; T400-I402 PolarHBondContact O-N 3.09Å; T400-M403 PolarHBondContact O-N 2.71Å; T400-A404 VanDerWaalsContact O-CB 3.29Å; T400-A404 WeakPolarHBondContact O-CB 3.41Å; T400-A404 PolarHBondContact O-N 3.3Å
401	A	73.9	Confident	85.3	Confident	43 Å²	43	60.1 Å²	60.1	36%	0.355	29%	0.291	S	S	.	.	H	α-helix	trans	-66.4	-25.9	-178.9	0	0	0	0	0	115.4	C222 N223 K405	C222-A401 PolarHBondContact O-N 3.25Å; N223-A401 WeakPolarHBondContact OD1-CA 3.28Å; N223-A401 WeakPolarHBondContact OD1-CB 3.44Å; A401-K405 WeakPolarHBondContact O-CB 3.39Å; A401-K405 WeakPolarHBondContact O-CG 3.23Å; A401-K405 PolarHBondContact O-N 3.17Å
402	I	75.8	Confident	85.8	Confident	43 Å²	43	58.7 Å²	58.7	22%	0.221	28%	0.28	C	S	.	.	H	α-helix	trans	-73	-44.4	171	-68.4	160.6	0	0	0	109.7	N223 F224 T400 A404 K405 K406	N223-I402 HydrophobicContact CB-CB 4.25Å; N223-I402 HydrophobicContact CB-CD1 3.45Å; N223-I402 VanDerWaalsContact CB-CD1 3.45Å; N223-I402 HydrophobicContact CB-CG1 3.46Å; N223-I402 VanDerWaalsContact CB-CG1 3.46Å; N223-I402 VanDerWaalsContact CG-CG1 3.43Å; N223-I402 WeakPolarHBondContact O-CB 3.39Å; N223-I402 PolarHBondContact O-N 3.04Å; N223-I402 VanDerWaalsContact O-N 3.17Å; N223-I402 PolarHBondContact OD1-N 3.18Å; F224-I402 HydrophobicContact CD1-CD1 4.27Å; F224-I402 HydrophobicContact CD2-CD1 3.84Å; F224-I402 HydrophobicContact CE1-CD1 3.71Å; F224-I402 HydrophobicContact CE2-CD1 3.22Å; F224-I402 HydrophobicContact CG-CD1 4.34Å; F224-I402 HydrophobicContact CZ-CD1 3.16Å; T400-I402 PolarHBondContact O-N 3.09Å; I402-A404 VanDerWaalsContact C-N 3.31Å; I402-A404 PolarHBondContact O-N 2.93Å; I402-K405 WeakPolarHBondContact O-CB 3.33Å; I402-K405 PolarHBondContact O-N 2.74Å; I402-K405 VanDerWaalsContact O-N 3.17Å; I402-K406 HydrophobicContact CG2-CD 4.45Å; I402-K406 PolarHBondContact O-N 2.65Å; I402-K406 VanDerWaalsContact O-N 3.08Å
403	M	79.5	Confident	86.6	Confident	17 Å²	17	50.7 Å²	50.7	8%	0.084	25%	0.246	C	C	.	.	H	α-helix	trans	-62.1	-44.9	178.2	-68.8	-178.8	66.3	0	0	110.5	Q225 D226 R397 T399 T400 K405 K406 N407	Q225-M403 HydrophobicContact CB-SD 4.44Å; Q225-M403 WeakPolarHBondContact O-CE 3.31Å; D226-M403 HydrophobicContact CB-SD 4.14Å; D226-M403 PolarHBondContact N-SD 2.66Å; D226-M403 VanDerWaalsContact N-SD 3.38Å; D226-M403 WeakPolarHBondContact OD1-CE 3.24Å; R397-M403 CarbonylContact O-C 3.53Å; R397-M403 VanDerWaalsContact O-C 3.22Å; R397-M403 VanDerWaalsContact O-CB 3.32Å; R397-M403 WeakPolarHBondContact O-CB 3.36Å; T399-M403 PolarHBondContact OG1-SD 3.49Å; T399-M403 VanDerWaalsContact OG1-SD 3.41Å; T400-M403 PolarHBondContact O-N 2.71Å; M403-K405 VanDerWaalsContact C-N 3.31Å; M403-K405 PolarHBondContact O-N 3.19Å; M403-K406 PolarHBondContact O-N 3.21Å; M403-K406 VanDerWaalsContact O-N 3.1Å; M403-N407 PolarHBondContact O-N 2.65Å; M403-N407 PolarHBondContact O-ND2 2.86Å
404	A	78.4	Confident	87	Confident	30 Å²	30	52.5 Å²	52.5	25%	0.248	25%	0.249	C	C	.	.	H	α-helix	trans	-55.5	-44.3	173	0	0	0	0	0	112	R397 Y398 T400 I402 K406 N407	R397-A404 PolarHBondContact O-N 3.21Å; Y398-A404 HydrophobicContact CD1-CB 3.7Å; Y398-A404 HydrophobicContact CG-CB 4.46Å; T400-A404 VanDerWaalsContact O-CB 3.29Å; T400-A404 WeakPolarHBondContact O-CB 3.41Å; T400-A404 PolarHBondContact O-N 3.3Å; I402-A404 VanDerWaalsContact C-N 3.31Å; I402-A404 PolarHBondContact O-N 2.93Å; A404-K406 VanDerWaalsContact C-N 3.29Å; A404-K406 PolarHBondContact O-N 3.06Å; A404-N407 PolarHBondContact O-N 2.85Å; A404-N407 VanDerWaalsContact O-N 3.11Å
405	K	81.5	Confident	87.6	Confident	164 Å²	164	49.5 Å²	49.5	71%	0.713	24%	0.238	S	C	*	.	H	α-helix	trans	-63.4	-29.5	177.9	-81.2	174.4	-179.1	-177.9	0	113.9	A401 I402 M403 N407	A401-K405 WeakPolarHBondContact O-CB 3.39Å; A401-K405 WeakPolarHBondContact O-CG 3.23Å; A401-K405 PolarHBondContact O-N 3.17Å; I402-K405 WeakPolarHBondContact O-CB 3.33Å; I402-K405 PolarHBondContact O-N 2.74Å; I402-K405 VanDerWaalsContact O-N 3.17Å; M403-K405 VanDerWaalsContact C-N 3.31Å; M403-K405 PolarHBondContact O-N 3.19Å; K405-N407 VanDerWaalsContact C-N 3.27Å
406	K	84.3	Confident	87.9	Confident	157 Å²	157	48.8 Å²	48.8	68%	0.683	24%	0.235	S	C	*	.	H	α-helix	trans	-73.4	-19.5	176.1	-70	179.1	179.4	-179.1	0	112.5	I402 M403 A404	I402-K406 HydrophobicContact CG2-CD 4.45Å; I402-K406 PolarHBondContact O-N 2.65Å; I402-K406 VanDerWaalsContact O-N 3.08Å; M403-K406 PolarHBondContact O-N 3.21Å; M403-K406 VanDerWaalsContact O-N 3.1Å; A404-K406 VanDerWaalsContact C-N 3.29Å; A404-K406 PolarHBondContact O-N 3.06Å
407	N	89.9	Confident	88.2	Confident	31 Å²	31	51.1 Å²	51.1	17%	0.166	25%	0.245	C	C	.	.			trans	-94.6	113.6	-177.3	-71.7	-85.8	0	0	0	111.2	R397 Y398 M403 A404 K405	R397-N407 WeakPolarHBondContact CD-OD1 3.47Å; R397-N407 PolarHBondContact O-ND2 3.3Å; R397-N407 VanDerWaalsContact O-ND2 3.1Å; Y398-N407 HydrophobicContact CE1-CB 3.81Å; Y398-N407 HydrophobicContact CE2-CB 4.36Å; Y398-N407 WeakPolarHBondContact OH-CB 3.23Å; M403-N407 PolarHBondContact O-N 2.65Å; M403-N407 PolarHBondContact O-ND2 2.86Å; A404-N407 PolarHBondContact O-N 2.85Å; A404-N407 VanDerWaalsContact O-N 3.11Å; K405-N407 VanDerWaalsContact C-N 3.27Å
408	R	90.9	Very high	88.5	Confident	205 Å²	205	50.6 Å²	50.6	77%	0.774	24%	0.243	S	C	*	.			trans	-86.9	122.9	172.4	-63.1	-177.8	-176.5	-170.7	1.1	109.5	H410	R408-H410 PolarHBondContact O-N 2.88Å
409	I	92	Very high	88.7	Confident	50 Å²	50	52.5 Å²	52.5	26%	0.256	25%	0.25	S	S	.	.			trans	-87.5	113.1	-179.9	-60.8	-176.6	0	0	0	109.3	Y318 Y398	Y318-I409 HydrophobicContact CD1-CG2 3.6Å; Y318-I409 HydrophobicContact CE1-CG2 3.76Å; Y398-I409 HydrophobicContact CE1-CD1 4.08Å; Y398-I409 HydrophobicContact CE1-CG1 4.37Å; Y398-I409 WeakPolarHBondContact OH-CG1 3.2Å
410	H	95	Very high	89.3	Confident	45 Å²	45	53.7 Å²	53.7	21%	0.208	26%	0.256	C	S	.	.			trans	-115	149.8	173.3	-68.5	-60.5	0	0	0	111	Y318 R408 F495	Y318-H410 WeakPolarHBondContact CE1-O 3.36Å; Y318-H410 PolarHBondContact OH-O 2.73Å; R408-H410 PolarHBondContact O-N 2.88Å; H410-F495 HydrophobicContact CB-CB 4.11Å; H410-F495 PolarHBondContact CD2-O 2.95Å
411	P	94.6	Very high	90.1	Very high	54 Å²	54	53.4 Å²	53.4	35%	0.351	25%	0.254	S	S	.	.			trans	-64.8	164.3	166.7	31.8	-35.5	0	0	0	109.8	S413 F495 P498	P411-S413 PolarHBondContact O-N 3.16Å; P411-F495 WeakPolarHBondContact O-CB 3.5Å; P411-P498 HydrophobicContact CG-CG 3.94Å
412	P	95.6	Very high	91	Very high	23 Å²	23	51.6 Å²	51.6	15%	0.149	24%	0.239	C	C	.	.			trans	-49.9	137.3	172.6	-27.9	35.6	0	0	0	112.5	N350 L351 V354 F495	N350-P412 WeakPolarHBondContact O-CD 3.18Å; N350-P412 WeakPolarHBondContact O-CG 2.84Å; L351-P412 HydrophobicContact CD2-CG 3.89Å; V354-P412 HydrophobicContact CG1-CB 4.48Å; V354-P412 HydrophobicContact CG1-CG 4.35Å; V354-P412 HydrophobicContact CG2-CB 4.42Å; V354-P412 HydrophobicContact CG2-CG 3.66Å; P412-F495 HydrophobicContact CB-CE1 4.07Å; P412-F495 HydrophobicContact CB-CE2 4.09Å; P412-F495 HydrophobicContact CB-CZ 3.83Å; P412-F495 HydrophobicContact CG-CE2 4.02Å; P412-F495 HydrophobicContact CG-CZ 4.18Å
413	S	95.8	Very high	91.6	Very high	3 Å²	3	51.2 Å²	51.2	2%	0.021	24%	0.239	C	C	.	.			trans	-151.9	154.3	179.9	72.9	0	0	0	0	109.8	P411 T415 A468 F495 A496 S501	P411-S413 PolarHBondContact O-N 3.16Å; S413-T415 PolarHBondContact O-N 3.36Å; S413-T415 PolarHBondContact OG-O 3.09Å; S413-T415 VanDerWaalsContact OG-O 3.09Å; S413-A468 VanDerWaalsContact O-CB 3.24Å; S413-A468 WeakPolarHBondContact O-CB 3.09Å; S413-F495 VanDerWaalsContact N-CD1 3.28Å; S413-F495 WeakPolarHBondContact O-CD1 3.06Å; S413-A496 PolarHBondContact OG-O 2.62Å; S413-S501 WeakPolarHBondContact CB-OG 3.49Å
414	R	96.3	Very high	92	Very high	83 Å²	83	57.7 Å²	57.7	31%	0.313	27%	0.267	S	S	.	.	S	Bend	trans	-65.2	-3.3	177.2	75.1	-172.8	73.2	161	2.4	114.8	K461 W462 D465	R414-K461 HydrophobicContact CG-CG 4.22Å; R414-K461 WeakPolarHBondContact O-CA 3.2Å; R414-W462 WeakPolarHBondContact CB-O 3.14Å; R414-W462 PolarHBondContact O-N 3.38Å; R414-D465 WeakPolarHBondContact CB-OD1 3.12Å; R414-D465 PolarHBondContact N-OD1 2.73Å; R414-D465 IonicContact NE-OD1 3.77Å
415	T	97.6	Very high	92.6	Very high	4 Å²	4	56.7 Å²	56.7	3%	0.025	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	124	-179.2	-52	0	0	0	0	109.5	S413 F459 I460 A496 S501	S413-T415 PolarHBondContact O-N 3.36Å; S413-T415 PolarHBondContact OG-O 3.09Å; S413-T415 VanDerWaalsContact OG-O 3.09Å; T415-F459 HydrophobicContact CG2-CB 3.93Å; T415-F459 HydrophobicContact CG2-CD1 4.07Å; T415-F459 HydrophobicContact CG2-CG 4.24Å; T415-I460 CarbonylContact C-O 3.49Å; T415-I460 WeakPolarHBondContact CA-O 3.3Å; T415-A496 HydrophobicContact CG2-CB 3.85Å; T415-A496 WeakPolarHBondContact O-CB 3.35Å; T415-A496 PolarHBondContact O-N 3.21Å; T415-S501 PolarHBondContact OG1-OG 3.33Å
416	L	97.9	Very high	93.2	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	137.1	171	-54.4	179.9	0	0	0	110.5	F459 I460 W462 A468 A471 L472 F493 A494 F495	L416-F459 WeakPolarHBondContact O-CA 3.23Å; L416-I460 PolarHBondContact N-O 3.15Å; L416-I460 PolarHBondContact O-N 3.38Å; L416-W462 HydrophobicContact CB-CZ3 3.92Å; L416-W462 HydrophobicContact CD1-CE3 4.43Å; L416-W462 HydrophobicContact CD1-CH2 3.87Å; L416-W462 HydrophobicContact CD1-CZ3 3.62Å; L416-W462 HydrophobicContact CG-CE3 4.25Å; L416-W462 HydrophobicContact CG-CH2 4.39Å; L416-W462 HydrophobicContact CG-CZ3 3.64Å; L416-A468 WeakPolarHBondContact CD1-O 3.43Å; L416-A468 HydrophobicContact CD2-CB 4.31Å; L416-A468 HydrophobicContact CG-CB 4.25Å; L416-A471 HydrophobicContact CD1-CB 4.32Å; L416-L472 HydrophobicContact CD1-CB 4.03Å; L416-L472 HydrophobicContact CD2-CB 4.39Å; L416-F493 HydrophobicContact CB-CD1 3.72Å; L416-F493 HydrophobicContact CB-CE1 4.4Å; L416-F493 HydrophobicContact CD1-CB 4.38Å; L416-F493 HydrophobicContact CD1-CD1 3.67Å; L416-F493 HydrophobicContact CD1-CE1 4.28Å; L416-F493 HydrophobicContact CD1-CG 4.29Å; L416-F493 HydrophobicContact CG-CD1 4.37Å; L416-A494 CarbonylContact C-O 3.56Å; L416-A494 WeakPolarHBondContact CA-O 3.21Å; L416-F495 HydrophobicContact CD2-CD1 3.44Å; L416-F495 VanDerWaalsContact CD2-CD1 3.44Å; L416-F495 HydrophobicContact CD2-CE1 3.7Å; L416-F495 HydrophobicContact CD2-CG 4.25Å
417	H	96.9	Very high	93.7	Very high	54 Å²	54	46.9 Å²	46.9	25%	0.25	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	127	162.9	177.8	-127	0	0	0	108.7	W419 F448 G458 F459 F493 A494	H417-W419 AromaticContact CE1-CE3 3.76Å; H417-W419 AromaticContact ND1-CE3 3.46Å; H417-W419 AromaticContact ND1-CZ3 3.7Å; H417-F448 AromaticContact CD2-CE2 3.9Å; H417-F448 AromaticContact CD2-CZ 3.94Å; H417-F448 AromaticContact NE2-CE2 3.56Å; H417-G458 WeakPolarHBondContact CA-O 3.32Å; H417-G458 PolarHBondContact CD2-O 3.02Å; H417-G458 VanDerWaalsContact CD2-O 3.28Å; H417-F459 HydrophobicContact CB-CD1 4.02Å; H417-F459 HydrophobicContact CB-CE1 3.84Å; H417-F459 AromaticContact CD2-CE1 3.93Å; H417-F493 CarbonylContact O-C 3.35Å; H417-F493 VanDerWaalsContact O-CA 3.32Å; H417-F493 WeakPolarHBondContact O-CA 3.44Å; H417-A494 PolarHBondContact N-O 3.45Å; H417-A494 PolarHBondContact O-N 3.45Å
418	Y	96.6	Very high	93.9	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	149.9	172.9	81.7	-88	0	0	0	111.2	A421 L430 Q447 S457 G458 I460 I491 K492	Y418-A421 HydrophobicContact CD2-CB 4.02Å; Y418-A421 HydrophobicContact CE2-CB 3.84Å; Y418-L430 HydrophobicContact CE1-CD1 4.22Å; Y418-L430 HydrophobicContact CE2-CD1 4.25Å; Y418-L430 HydrophobicContact CE2-CD2 4.45Å; Y418-Q447 VanDerWaalsContact OH-CG 3.27Å; Y418-Q447 WeakPolarHBondContact OH-CG 3.48Å; Y418-S457 VanDerWaalsContact O-CA 3.22Å; Y418-S457 WeakPolarHBondContact O-CA 3.38Å; Y418-S457 VanDerWaalsContact O-CB 3.24Å; Y418-S457 WeakPolarHBondContact O-CB 3.29Å; Y418-G458 VanDerWaalsContact CD1-C 3.4Å; Y418-G458 WeakPolarHBondContact CD1-O 3.27Å; Y418-G458 VanDerWaalsContact CE1-C 3.4Å; Y418-G458 VanDerWaalsContact CE1-N 3.33Å; Y418-G458 PolarHBondContact N-O 3.11Å; Y418-G458 PolarHBondContact O-N 3.45Å; Y418-I460 HydrophobicContact CD1-CD1 4.07Å; Y418-I460 HydrophobicContact CD1-CG1 3.75Å; Y418-I460 HydrophobicContact CE1-CD1 4.49Å; Y418-I460 HydrophobicContact CE1-CG1 4.12Å; Y418-I491 HydrophobicContact CD2-CD1 3.89Å; Y418-I491 HydrophobicContact CD2-CG1 4.33Å; Y418-I491 HydrophobicContact CG-CD1 4.28Å; Y418-K492 CarbonylContact C-O 3.49Å; Y418-K492 VanDerWaalsContact CA-O 3.24Å; Y418-K492 WeakPolarHBondContact CA-O 3.26Å
419	W	94.4	Very high	94.1	Very high	63 Å²	63	46.6 Å²	46.6	24%	0.239	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	168.9	171.8	65.6	101.9	0	0	0	111.5	R397 H417 A421 K492 A494	R397-W419 VanDerWaalsContact NH1-CH2 3.34Å; H417-W419 AromaticContact CE1-CE3 3.76Å; H417-W419 AromaticContact ND1-CE3 3.46Å; H417-W419 AromaticContact ND1-CZ3 3.7Å; W419-A421 VanDerWaalsContact C-N 3.33Å; W419-K492 HydrophobicContact CD2-CB 3.7Å; W419-K492 HydrophobicContact CE3-CB 4.25Å; W419-K492 VanDerWaalsContact CE3-O 3.24Å; W419-K492 HydrophobicContact CG-CB 4.19Å; W419-K492 HydrophobicContact CH2-CB 4.09Å; W419-K492 HydrophobicContact CZ2-CB 3.49Å; W419-K492 VanDerWaalsContact CZ2-CB 3.49Å; W419-K492 HydrophobicContact CZ2-CD 4.14Å; W419-K492 HydrophobicContact CZ2-CG 4.39Å; W419-K492 HydrophobicContact CZ3-CB 4.42Å; W419-K492 PolarHBondContact N-O 3.28Å; W419-K492 VanDerWaalsContact NE1-CD 3.31Å; W419-K492 PolarHBondContact O-N 3.18Å; W419-A494 HydrophobicContact CH2-CB 3.89Å; W419-A494 HydrophobicContact CZ3-CB 3.82Å
420	N	92.7	Very high	94.3	Very high	53 Å²	53	44.2 Å²	44.2	28%	0.283	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	63.8	35.7	-177.6	-162.4	51.8	0	0	0	113	S456 F489 T490	N420-S456 PolarHBondContact N-O 3.49Å; N420-F489 WeakPolarHBondContact O-CB 3.26Å; N420-T490 PolarHBondContact ND2-O 3.13Å
421	A	93.7	Very high	94.4	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	163.1	166.1	0	0	0	0	0	109.8	Y418 W419 I425 S455 S456 I480 I491	Y418-A421 HydrophobicContact CD2-CB 4.02Å; Y418-A421 HydrophobicContact CE2-CB 3.84Å; W419-A421 VanDerWaalsContact C-N 3.33Å; A421-I425 HydrophobicContact CB-CG2 4.16Å; A421-S455 CarbonylContact O-C 3.57Å; A421-S455 VanDerWaalsContact O-CA 3.27Å; A421-S455 WeakPolarHBondContact O-CA 3.19Å; A421-S455 VanDerWaalsContact O-CB 3.29Å; A421-S455 WeakPolarHBondContact O-CB 3.45Å; A421-S456 WeakPolarHBondContact CB-OG 3.27Å; A421-S456 PolarHBondContact N-O 2.91Å; A421-S456 PolarHBondContact O-N 3.04Å; A421-S456 PolarHBondContact O-OG 3.34Å; A421-I480 HydrophobicContact CB-CD1 4.3Å; A421-I491 HydrophobicContact CB-CD1 4.07Å; A421-I491 HydrophobicContact CB-CG1 4.35Å
422	P	92.2	Very high	94.5	Very high	4 Å²	4	46.2 Å²	46.2	3%	0.026	23%	0.228	C	C	.	.			trans	-54.5	142.2	-179.6	-22.4	29.9	0	0	0	112.4	K424 I425 S456 I480 D482 F489	P422-K424 VanDerWaalsContact C-N 3.26Å; P422-K424 PolarHBondContact O-N 3.14Å; P422-I425 HydrophobicContact CB-CB 4.19Å; P422-I425 HydrophobicContact CG-CB 4.43Å; P422-I425 HydrophobicContact CG-CD1 4.34Å; P422-I425 WeakPolarHBondContact O-CB 3.41Å; P422-I425 VanDerWaalsContact O-CG2 3.23Å; P422-I425 WeakPolarHBondContact O-CG2 3.49Å; P422-I425 PolarHBondContact O-N 3.42Å; P422-S456 WeakPolarHBondContact O-CB 3.28Å; P422-S456 PolarHBondContact O-OG 3.37Å; P422-I480 HydrophobicContact CG-CB 4.24Å; P422-I480 HydrophobicContact CG-CG2 3.61Å; P422-D482 HydrophobicContact CB-CB 4.08Å; P422-D482 WeakPolarHBondContact CB-OD2 3.5Å; P422-D482 HydrophobicContact CG-CB 4.14Å; P422-F489 HydrophobicContact CB-CD2 4.03Å; P422-F489 HydrophobicContact CB-CE2 4.13Å; P422-F489 HydrophobicContact CB-CG 4.5Å; P422-F489 HydrophobicContact CG-CB 4.25Å; P422-F489 HydrophobicContact CG-CD2 3.72Å; P422-F489 HydrophobicContact CG-CE2 4.31Å; P422-F489 HydrophobicContact CG-CG 4.06Å
423	P	87.9	Confident	94.5	Very high	36 Å²	36	45.9 Å²	45.9	23%	0.234	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-35.4	-171.5	-10.9	13	0	0	0	114	D453	P423-D453 WeakPolarHBondContact CG-O 3.22Å
424	K	87.5	Confident	94.6	Very high	152 Å²	152	45.8 Å²	45.8	66%	0.661	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104	14	-176.8	-59.1	176.6	-171	156.2	0	113.4	P422 S426 E484	P422-K424 VanDerWaalsContact C-N 3.26Å; P422-K424 PolarHBondContact O-N 3.14Å; K424-S426 PolarHBondContact O-N 2.85Å; K424-E484 IonicContact NZ-OE1 2.67Å; K424-E484 PolarHBondContact NZ-OE1 3.4Å; K424-E484 IonicContact NZ-OE2 2.89Å; K424-E484 PolarHBondContact NZ-OE2 3.06Å
425	I	92.1	Very high	94.6	Very high	10 Å²	10	49.5 Å²	49.5	5%	0.051	24%	0.238	C	C	.	.			trans	-61.3	129.4	-177.3	-164.6	168.3	0	0	0	110.9	A421 P422 E429 L430 Q447 S456 I480	A421-I425 HydrophobicContact CB-CG2 4.16Å; P422-I425 HydrophobicContact CB-CB 4.19Å; P422-I425 HydrophobicContact CG-CB 4.43Å; P422-I425 HydrophobicContact CG-CD1 4.34Å; P422-I425 WeakPolarHBondContact O-CB 3.41Å; P422-I425 VanDerWaalsContact O-CG2 3.23Å; P422-I425 WeakPolarHBondContact O-CG2 3.49Å; P422-I425 PolarHBondContact O-N 3.42Å; I425-E429 HydrophobicContact CD1-CB 4.14Å; I425-E429 HydrophobicContact CG1-CB 3.61Å; I425-L430 HydrophobicContact CD1-CD2 3.79Å; I425-L430 HydrophobicContact CD1-CG 3.83Å; I425-L430 HydrophobicContact CG1-CG 4.12Å; I425-L430 HydrophobicContact CG2-CD1 4.23Å; I425-L430 HydrophobicContact CG2-CG 4.18Å; I425-Q447 PolarHBondContact O-NE2 3.08Å; I425-Q447 PolarHBondContact O-OE1 3.16Å; I425-S456 WeakPolarHBondContact CG2-OG 3.48Å; I425-I480 HydrophobicContact CD1-CD1 4.17Å; I425-I480 HydrophobicContact CD1-CG2 4.01Å
426	S	93.1	Very high	94.6	Very high	47 Å²	47	57.7 Å²	57.7	33%	0.329	27%	0.273	S	S	.	.			trans	-80.2	161.4	175.5	68	0	0	0	0	112	K424 N428 E429 L430	K424-S426 PolarHBondContact O-N 2.85Å; S426-N428 PolarHBondContact O-N 3Å; S426-E429 VanDerWaalsContact CB-OE2 3.32Å; S426-E429 WeakPolarHBondContact CB-OE2 3.36Å; S426-E429 PolarHBondContact N-OE2 3.25Å; S426-E429 PolarHBondContact O-N 3.24Å; S426-E429 VanDerWaalsContact OG-CG 3.28Å; S426-E429 WeakPolarHBondContact OG-CG 3.48Å; S426-E429 PolarHBondContact OG-N 3.23Å; S426-E429 PolarHBondContact OG-OE2 2.9Å; S426-L430 PolarHBondContact O-N 3.17Å
427	N	94.7	Very high	94.5	Very high	67 Å²	67	59 Å²	59	36%	0.358	28%	0.282	S	S	.	.	H	α-helix	trans	-60	-35.2	173	-74.1	-4.2	0	0	0	112.2	L430 L431 I445 Q447	N427-L430 PolarHBondContact O-N 2.97Å; N427-L431 WeakPolarHBondContact O-CG 3.35Å; N427-L431 PolarHBondContact O-N 2.96Å; N427-I445 HydrophobicContact CB-CD1 4.43Å; N427-I445 VanDerWaalsContact OD1-CG2 3.32Å; N427-I445 WeakPolarHBondContact OD1-CG2 3.48Å; N427-Q447 WeakPolarHBondContact OD1-CG 3.25Å; N427-Q447 PolarHBondContact OD1-NE2 3.15Å
428	N	95.2	Very high	94.5	Very high	125 Å²	125	59 Å²	59	67%	0.668	30%	0.296	S	S	*	.	H	α-helix	trans	-67.2	-38.6	177.9	-72.2	-11.6	0	0	0	111.8	S426 L431 E432	S426-N428 PolarHBondContact O-N 3Å; N428-L431 WeakPolarHBondContact O-CB 3.45Å; N428-L431 PolarHBondContact O-N 3.25Å; N428-E432 WeakPolarHBondContact O-CB 3.09Å; N428-E432 PolarHBondContact O-N 2.89Å
429	E	94.9	Very high	94.5	Very high	106 Å²	106	59.5 Å²	59.5	50%	0.495	30%	0.301	S	S	.	.	H	α-helix	trans	-68.7	-36.5	175	-72.5	164.4	126.9	0	0	112.2	I425 S426 E432 F433	I425-E429 HydrophobicContact CD1-CB 4.14Å; I425-E429 HydrophobicContact CG1-CB 3.61Å; S426-E429 VanDerWaalsContact CB-OE2 3.32Å; S426-E429 WeakPolarHBondContact CB-OE2 3.36Å; S426-E429 PolarHBondContact N-OE2 3.25Å; S426-E429 PolarHBondContact O-N 3.24Å; S426-E429 VanDerWaalsContact OG-CG 3.28Å; S426-E429 WeakPolarHBondContact OG-CG 3.48Å; S426-E429 PolarHBondContact OG-N 3.23Å; S426-E429 PolarHBondContact OG-OE2 2.9Å; E429-E432 PolarHBondContact O-N 2.9Å; E429-F433 WeakPolarHBondContact O-CB 3.4Å; E429-F433 PolarHBondContact O-N 2.87Å
430	L	96.1	Very high	94.6	Very high	0 Å²	0	58 Å²	58	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-63.8	-41.9	171.4	-78.9	169.6	0	0	0	111.8	Y418 I425 S426 N427 F433 V434 I445 I491	Y418-L430 HydrophobicContact CE1-CD1 4.22Å; Y418-L430 HydrophobicContact CE2-CD1 4.25Å; Y418-L430 HydrophobicContact CE2-CD2 4.45Å; I425-L430 HydrophobicContact CD1-CD2 3.79Å; I425-L430 HydrophobicContact CD1-CG 3.83Å; I425-L430 HydrophobicContact CG1-CG 4.12Å; I425-L430 HydrophobicContact CG2-CD1 4.23Å; I425-L430 HydrophobicContact CG2-CG 4.18Å; S426-L430 PolarHBondContact O-N 3.17Å; N427-L430 PolarHBondContact O-N 2.97Å; L430-F433 WeakPolarHBondContact O-CB 3.04Å; L430-F433 PolarHBondContact O-N 3.45Å; L430-V434 WeakPolarHBondContact O-CG2 3.47Å; L430-V434 PolarHBondContact O-N 3.37Å; L430-I445 HydrophobicContact CB-CD1 3.8Å; L430-I445 HydrophobicContact CD1-CG2 3.89Å; L430-I491 HydrophobicContact CD2-CD1 4.14Å
431	L	96.6	Very high	94.8	Very high	52 Å²	52	63 Å²	63	27%	0.272	32%	0.321	S	S	.	.	H	α-helix	trans	-60.4	-47.7	174.3	-76.2	168.5	0	0	0	111.5	N427 N428 F433 V434 R435 E441 P442 I445	N427-L431 WeakPolarHBondContact O-CG 3.35Å; N427-L431 PolarHBondContact O-N 2.96Å; N428-L431 WeakPolarHBondContact O-CB 3.45Å; N428-L431 PolarHBondContact O-N 3.25Å; L431-F433 VanDerWaalsContact C-N 3.3Å; L431-F433 PolarHBondContact O-N 2.89Å; L431-V434 PolarHBondContact O-N 2.62Å; L431-R435 WeakPolarHBondContact O-CB 3.43Å; L431-R435 PolarHBondContact O-N 2.93Å; L431-E441 HydrophobicContact CD2-CG 4.29Å; L431-P442 HydrophobicContact CD2-CG 3.5Å; L431-P442 VanDerWaalsContact CD2-CG 3.5Å; L431-I445 HydrophobicContact CD2-CD1 4.08Å; L431-I445 HydrophobicContact CG-CD1 3.83Å
432	E	96.1	Very high	95	Very high	88 Å²	88	63.6 Å²	63.6	41%	0.411	32%	0.324	S	S	.	.	H	α-helix	trans	-62.3	-38.6	177.8	-179	55.6	-152.6	0	0	111.7	N428 E429 R435 K436	N428-E432 WeakPolarHBondContact O-CB 3.09Å; N428-E432 PolarHBondContact O-N 2.89Å; E429-E432 PolarHBondContact O-N 2.9Å; E432-R435 PolarHBondContact O-N 3.41Å; E432-R435 IonicContact OE1-CZ 2.97Å; E432-R435 IonicContact OE1-NE 2.78Å; E432-R435 IonicContact OE1-NH2 3.18Å; E432-R435 PolarHBondContact OE1-NH2 2.87Å; E432-R435 IonicContact OE2-CZ 3.35Å; E432-R435 IonicContact OE2-NE 3.61Å; E432-R435 PolarHBondContact OE2-NE 2.84Å; E432-R435 IonicContact OE2-NH2 2.59Å; E432-R435 PolarHBondContact OE2-NH2 2.91Å; E432-K436 VanDerWaalsContact O-CB 3.3Å; E432-K436 WeakPolarHBondContact O-CB 3.09Å; E432-K436 PolarHBondContact O-N 3.1Å
433	F	96.6	Very high	95.2	Very high	17 Å²	17	68 Å²	68	8%	0.075	35%	0.345	C	S	.	.	H	α-helix	trans	-60.8	-48.3	172.6	161.8	-98.1	0	0	0	112.3	E429 L430 L431 R435 K436 C437 C475 Q478 I480 I491 F493	E429-F433 WeakPolarHBondContact O-CB 3.4Å; E429-F433 PolarHBondContact O-N 2.87Å; L430-F433 WeakPolarHBondContact O-CB 3.04Å; L430-F433 PolarHBondContact O-N 3.45Å; L431-F433 VanDerWaalsContact C-N 3.3Å; L431-F433 PolarHBondContact O-N 2.89Å; F433-R435 VanDerWaalsContact C-N 3.33Å; F433-R435 PolarHBondContact O-N 2.93Å; F433-K436 PolarHBondContact O-N 3.35Å; F433-C437 VanDerWaalsContact CE2-SG 3.53Å; F433-C437 PolarHBondContact O-N 3.03Å; F433-C437 VanDerWaalsContact O-N 3.07Å; F433-C437 PolarHBondContact O-SG 3.29Å; F433-C475 HydrophobicContact CE1-CB 3.88Å; F433-C475 HydrophobicContact CZ-CB 3.97Å; F433-Q478 HydrophobicContact CE2-CB 3.63Å; F433-Q478 HydrophobicContact CZ-CB 3.77Å; F433-I480 HydrophobicContact CD1-CD1 4.2Å; F433-I480 HydrophobicContact CD2-CD1 3.96Å; F433-I480 HydrophobicContact CD2-CG1 3.63Å; F433-I480 HydrophobicContact CE1-CD1 4.41Å; F433-I480 HydrophobicContact CE2-CD1 4.16Å; F433-I480 HydrophobicContact CE2-CG1 3.75Å; F433-I480 HydrophobicContact CG-CD1 3.98Å; F433-I480 HydrophobicContact CG-CG1 4.16Å; F433-I480 HydrophobicContact CZ-CD1 4.4Å; F433-I480 HydrophobicContact CZ-CG1 4.39Å; F433-I491 HydrophobicContact CE1-CD1 4.21Å; F433-I491 HydrophobicContact CE1-CG2 3.94Å; F433-I491 HydrophobicContact CE2-CG2 4.25Å; F433-I491 HydrophobicContact CZ-CG2 3.48Å; F433-I491 VanDerWaalsContact CZ-CG2 3.48Å; F433-F493 HydrophobicContact CE1-CE2 4.12Å; F433-F493 HydrophobicContact CE1-CZ 4.28Å
434	V	97.7	Very high	95.5	Very high	1 Å²	1	72.8 Å²	72.8	1%	0.006	36%	0.358	C	S	.	.	H	α-helix	trans	-60.7	-45.4	178.2	174.3	0	0	0	0	110.3	L430 L431 K436 C437 G438 A439 P440 W462	L430-V434 WeakPolarHBondContact O-CG2 3.47Å; L430-V434 PolarHBondContact O-N 3.37Å; L431-V434 PolarHBondContact O-N 2.62Å; V434-K436 PolarHBondContact O-N 2.68Å; V434-C437 WeakPolarHBondContact O-CB 3.04Å; V434-C437 PolarHBondContact O-N 3.08Å; V434-G438 PolarHBondContact O-N 2.87Å; V434-A439 HydrophobicContact CG1-CB 3.72Å; V434-A439 PolarHBondContact O-N 2.77Å; V434-P440 WeakPolarHBondContact CG1-O 3.3Å; V434-W462 HydrophobicContact CG1-CZ2 4.25Å
435	R	97.1	Very high	95.9	Very high	161 Å²	161	66.6 Å²	66.6	61%	0.608	33%	0.332	S	S	*	.	H	α-helix	trans	-59.3	-44.6	176.3	-171.5	-177.5	71.6	88.5	-9.6	112	L431 E432 F433 C437 G438	L431-R435 WeakPolarHBondContact O-CB 3.43Å; L431-R435 PolarHBondContact O-N 2.93Å; E432-R435 PolarHBondContact O-N 3.41Å; E432-R435 IonicContact OE1-CZ 2.97Å; E432-R435 IonicContact OE1-NE 2.78Å; E432-R435 IonicContact OE1-NH2 3.18Å; E432-R435 PolarHBondContact OE1-NH2 2.87Å; E432-R435 IonicContact OE2-CZ 3.35Å; E432-R435 IonicContact OE2-NE 3.61Å; E432-R435 PolarHBondContact OE2-NE 2.84Å; E432-R435 IonicContact OE2-NH2 2.59Å; E432-R435 PolarHBondContact OE2-NH2 2.91Å; F433-R435 VanDerWaalsContact C-N 3.33Å; F433-R435 PolarHBondContact O-N 2.93Å; R435-C437 VanDerWaalsContact C-N 3.27Å; R435-C437 PolarHBondContact O-N 3.11Å; R435-G438 WeakPolarHBondContact O-CA 3.47Å; R435-G438 PolarHBondContact O-N 3.37Å
436	K	96.7	Very high	96	Very high	175 Å²	175	69.6 Å²	69.6	76%	0.761	35%	0.346	S	S	*	.	H	α-helix	trans	-63.2	-32.1	178.1	-176.3	179.4	178.7	-179.4	0	112.8	E432 F433 V434 G438	E432-K436 VanDerWaalsContact O-CB 3.3Å; E432-K436 WeakPolarHBondContact O-CB 3.09Å; E432-K436 PolarHBondContact O-N 3.1Å; F433-K436 PolarHBondContact O-N 3.35Å; V434-K436 PolarHBondContact O-N 2.68Å; K436-G438 PolarHBondContact O-N 3.37Å
437	C	96.6	Very high	96	Very high	28 Å²	28	70.2 Å²	70.2	19%	0.189	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-10	173.8	-62.6	0	0	0	0	113.1	F433 V434 R435 A439 L474 C475	F433-C437 VanDerWaalsContact CE2-SG 3.53Å; F433-C437 PolarHBondContact O-N 3.03Å; F433-C437 VanDerWaalsContact O-N 3.07Å; F433-C437 PolarHBondContact O-SG 3.29Å; V434-C437 WeakPolarHBondContact O-CB 3.04Å; V434-C437 PolarHBondContact O-N 3.08Å; R435-C437 VanDerWaalsContact C-N 3.27Å; R435-C437 PolarHBondContact O-N 3.11Å; C437-A439 VanDerWaalsContact C-N 3.32Å; C437-L474 HydrophobicContact CB-CB 4.47Å; C437-C475 VanDerWaalsContact CB-SG 3.53Å
438	G	96.1	Very high	95.7	Very high	53 Å²	53	70.5 Å²	70.5	55%	0.546	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.3	18.6	-175.9	0	0	0	0	0	113.7	V434 R435 K436 L474	V434-G438 PolarHBondContact O-N 2.87Å; R435-G438 WeakPolarHBondContact O-CA 3.47Å; R435-G438 PolarHBondContact O-N 3.37Å; K436-G438 PolarHBondContact O-N 3.37Å; G438-L474 WeakPolarHBondContact O-CD1 3.29Å
439	A	96.9	Very high	94.8	Very high	12 Å²	12	70.7 Å²	70.7	10%	0.099	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-84.4	155.8	177.7	0	0	0	0	0	111.6	V434 C437 A471 L474	V434-A439 HydrophobicContact CG1-CB 3.72Å; V434-A439 PolarHBondContact O-N 2.77Å; C437-A439 VanDerWaalsContact C-N 3.32Å; A439-A471 HydrophobicContact CB-CB 3.99Å; A439-L474 HydrophobicContact CB-CB 4.27Å; A439-L474 HydrophobicContact CB-CD1 4Å
440	P	96.9	Very high	93.4	Very high	32 Å²	32	74.6 Å²	74.6	21%	0.208	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-55.1	145.8	173.9	-24.9	34.5	0	0	0	112	V434 W462 E467 E470	V434-P440 WeakPolarHBondContact CG1-O 3.3Å; P440-W462 PolarHBondContact O-NE1 3.49Å; P440-E467 HydrophobicContact CB-CB 4.03Å; P440-E467 HydrophobicContact CB-CG 3.86Å; P440-E467 HydrophobicContact CG-CB 4.08Å; P440-E467 HydrophobicContact CG-CG 3.98Å; P440-E470 HydrophobicContact CG-CB 4.46Å; P440-E470 HydrophobicContact CG-CG 4.33Å
441	E	97.1	Very high	91.7	Very high	158 Å²	158	76.6 Å²	76.6	74%	0.738	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-68.2	130.9	178.7	-167.5	173.3	157	0	0	110.6	L431	L431-E441 HydrophobicContact CD2-CG 4.29Å
442	P	97.2	Very high	90.3	Very high	11 Å²	11	76.8 Å²	76.8	7%	0.071	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-78	150.4	178.7	31.8	-32.9	0	0	0	111.2	L431 I445 I460 K461 W462	L431-P442 HydrophobicContact CD2-CG 3.5Å; L431-P442 VanDerWaalsContact CD2-CG 3.5Å; P442-I445 HydrophobicContact CG-CD1 4.48Å; P442-I445 HydrophobicContact CG-CG1 4.46Å; P442-I460 HydrophobicContact CB-CG2 3.22Å; P442-I460 HydrophobicContact CG-CG2 3.72Å; P442-K461 CarbonylContact C-O 3.48Å; P442-W462 HydrophobicContact CB-CD2 4.17Å; P442-W462 HydrophobicContact CB-CZ2 4.04Å
443	Q	95.5	Very high	89.1	Confident	97 Å²	97	80.2 Å²	80.2	45%	0.453	41%	0.411	S	S	.	.	S	Bend	trans	-76.6	-33	175.7	-100.5	-178.1	-19.1	0	0	113.4	K461	Q443-K461 PolarHBondContact N-O 2.9Å
444	R	95.5	Very high	88.3	Confident	137 Å²	137	84 Å²	84	52%	0.517	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	141.4	-173.8	-164.9	170.9	179.6	-130.6	-11.5	111.9	E446 I460 K461	R444-E446 HydrophobicContact CG-CG 4.36Å; R444-E446 IonicContact CZ-OE1 3.71Å; R444-E446 IonicContact NE-OE1 2.62Å; R444-E446 VanDerWaalsContact NH1-CD 3.34Å; R444-E446 IonicContact NH1-OE1 3.77Å; R444-E446 PolarHBondContact NH1-OE1 3.1Å; R444-E446 IonicContact NH2-OE1 2.78Å; R444-E446 PolarHBondContact NH2-OE1 3.13Å; R444-I460 WeakPolarHBondContact O-CA 3.47Å; R444-K461 HydrophobicContact CB-CB 4.35Å; R444-K461 PolarHBondContact N-O 3.05Å; R444-K461 PolarHBondContact O-N 3.33Å
445	I	95.8	Very high	87.9	Confident	21 Å²	21	85.2 Å²	85.2	11%	0.108	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	122.6	172.4	-58	177.3	0	0	0	108.1	N427 L430 L431 P442 Q447 F459 I460	N427-I445 HydrophobicContact CB-CD1 4.43Å; N427-I445 VanDerWaalsContact OD1-CG2 3.32Å; N427-I445 WeakPolarHBondContact OD1-CG2 3.48Å; L430-I445 HydrophobicContact CB-CD1 3.8Å; L430-I445 HydrophobicContact CD1-CG2 3.89Å; L431-I445 HydrophobicContact CD2-CD1 4.08Å; L431-I445 HydrophobicContact CG-CD1 3.83Å; P442-I445 HydrophobicContact CG-CD1 4.48Å; P442-I445 HydrophobicContact CG-CG1 4.46Å; I445-Q447 HydrophobicContact CG2-CG 4.2Å; I445-F459 WeakPolarHBondContact CA-O 3.5Å; I445-I460 HydrophobicContact CG1-CG1 4.22Å; I445-I460 HydrophobicContact CG1-CG2 4.14Å; I445-I460 HydrophobicContact CG2-CG1 4.36Å
446	E	93.8	Very high	87.7	Confident	74 Å²	74	77.6 Å²	77.6	35%	0.346	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	96	176.1	-67.1	-175.3	131.9	0	0	109.2	R444 G458 F459	R444-E446 HydrophobicContact CG-CG 4.36Å; R444-E446 IonicContact CZ-OE1 3.71Å; R444-E446 IonicContact NE-OE1 2.62Å; R444-E446 VanDerWaalsContact NH1-CD 3.34Å; R444-E446 IonicContact NH1-OE1 3.77Å; R444-E446 PolarHBondContact NH1-OE1 3.1Å; R444-E446 IonicContact NH2-OE1 2.78Å; R444-E446 PolarHBondContact NH2-OE1 3.13Å; E446-G458 CarbonylContact O-C 3.39Å; E446-G458 WeakPolarHBondContact O-CA 3.35Å; E446-F459 HydrophobicContact CB-CB 4.45Å; E446-F459 PolarHBondContact N-O 3.11Å; E446-F459 PolarHBondContact O-N 3.22Å
447	Q	92.6	Very high	87.6	Confident	60 Å²	60	70.6 Å²	70.6	28%	0.28	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	143.4	173.7	-52.7	-156.5	25	0	0	110.8	Y418 I425 N427 I445 S449	Y418-Q447 VanDerWaalsContact OH-CG 3.27Å; Y418-Q447 WeakPolarHBondContact OH-CG 3.48Å; I425-Q447 PolarHBondContact O-NE2 3.08Å; I425-Q447 PolarHBondContact O-OE1 3.16Å; N427-Q447 WeakPolarHBondContact OD1-CG 3.25Å; N427-Q447 PolarHBondContact OD1-NE2 3.15Å; I445-Q447 HydrophobicContact CG2-CG 4.2Å; Q447-S449 PolarHBondContact O-N 2.82Å
448	F	89.8	Confident	87.5	Confident	73 Å²	73	69.2 Å²	69.2	32%	0.32	37%	0.372	S	S	.	.			trans	-72.4	130.4	173.5	-59.1	-28	0	0	0	110.6	H417 K450 A451 S457 F459	H417-F448 AromaticContact CD2-CE2 3.9Å; H417-F448 AromaticContact CD2-CZ 3.94Å; H417-F448 AromaticContact NE2-CE2 3.56Å; F448-K450 PolarHBondContact O-N 3.01Å; F448-A451 PolarHBondContact O-N 3.27Å; F448-S457 WeakPolarHBondContact CD2-OG 3.43Å; F448-S457 PolarHBondContact N-O 3.26Å; F448-F459 AromaticContact CE1-CD2 3.55Å; F448-F459 HydrophobicContact CE1-CD2 3.55Å; F448-F459 AromaticContact CE1-CE2 3.37Å; F448-F459 HydrophobicContact CE1-CE2 3.37Å; F448-F459 HydrophobicContact CE1-CG 4.4Å; F448-F459 HydrophobicContact CE1-CZ 4.11Å; F448-F459 AromaticContact CZ-CD2 3.87Å; F448-F459 HydrophobicContact CZ-CD2 3.87Å; F448-F459 HydrophobicContact CZ-CE1 4.3Å; F448-F459 AromaticContact CZ-CE2 3.47Å; F448-F459 HydrophobicContact CZ-CE2 3.47Å; F448-F459 VanDerWaalsContact CZ-CE2 3.47Å; F448-F459 HydrophobicContact CZ-CG 4.44Å; F448-F459 AromaticContact CZ-CZ 3.7Å; F448-F459 HydrophobicContact CZ-CZ 3.7Å
449	S	75	Confident	87.5	Confident	128 Å²	128	68.5 Å²	68.5	90%	0.895	35%	0.354	S	S	*	.	S	Bend	trans	-64.2	-24.1	-179.2	52.2	0	0	0	0	113.6	Q447 A451	Q447-S449 PolarHBondContact O-N 2.82Å; S449-A451 VanDerWaalsContact C-N 3.29Å; S449-A451 PolarHBondContact O-N 3.21Å
450	K	66.9	Low	87.5	Confident	188 Å²	188	68 Å²	68	82%	0.817	35%	0.349	S	S	*	.	S	Bend	trans	-89.7	64	167.8	-70	-174.3	177.3	-176.2	0	109.9	F448 S452	F448-K450 PolarHBondContact O-N 3.01Å; K450-S452 PolarHBondContact O-N 2.77Å
451	A	59.9	Low	87.6	Confident	43 Å²	43	67.6 Å²	67.6	36%	0.355	34%	0.344	S	S	.	.			trans	-59.9	127.6	164	0	0	0	0	0	107.4	F448 S449	F448-A451 PolarHBondContact O-N 3.27Å; S449-A451 VanDerWaalsContact C-N 3.29Å; S449-A451 PolarHBondContact O-N 3.21Å
452	S	67.3	Low	87.5	Confident	56 Å²	56	60.1 Å²	60.1	39%	0.392	31%	0.309	S	S	.	.	B	Isolated β-bridge	trans	-65.1	144.3	166.9	164.4	0	0	0	0	107.2	K450 K454 S455	K450-S452 PolarHBondContact O-N 2.77Å; S452-K454 PolarHBondContact O-N 2.88Å; S452-K454 WeakPolarHBondContact OG-CB 3.1Å; S452-K454 PolarHBondContact OG-N 2.71Å; S452-K454 VanDerWaalsContact OG-N 3.09Å; S452-S455 PolarHBondContact N-O 2.76Å; S452-S455 PolarHBondContact O-N 3.33Å; S452-S455 VanDerWaalsContact O-N 3.12Å; S452-S455 VanDerWaalsContact O-O 3.1Å
453	D	70.7	Confident	87.5	Confident	160 Å²	160	62.7 Å²	62.7	86%	0.856	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-15.7	171.1	-64.4	-30	0	0	0	112.5	P423	P423-D453 WeakPolarHBondContact CG-O 3.22Å
454	K	79.5	Confident	87.4	Confident	95 Å²	95	60.8 Å²	60.8	41%	0.413	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-33.3	-179.2	-53.6	-170.8	179.7	-172.9	0	113.8	D238 S452 F489	D238-K454 VanDerWaalsContact OD1-CE 3.27Å; D238-K454 WeakPolarHBondContact OD1-CE 3.33Å; D238-K454 IonicContact OD1-NZ 2.64Å; D238-K454 PolarHBondContact OD1-NZ 3.31Å; S452-K454 PolarHBondContact O-N 2.88Å; S452-K454 WeakPolarHBondContact OG-CB 3.1Å; S452-K454 PolarHBondContact OG-N 2.71Å; S452-K454 VanDerWaalsContact OG-N 3.09Å; K454-F489 WeakPolarHBondContact O-CE1 3.31Å
455	S	89.5	Confident	87.4	Confident	27 Å²	27	57.6 Å²	57.6	19%	0.189	31%	0.313	C	S	.	.	B	Isolated β-bridge	trans	-166.2	156.8	-178.8	65.6	0	0	0	0	112.7	A421 S452	A421-S455 CarbonylContact O-C 3.57Å; A421-S455 VanDerWaalsContact O-CA 3.27Å; A421-S455 WeakPolarHBondContact O-CA 3.19Å; A421-S455 VanDerWaalsContact O-CB 3.29Å; A421-S455 WeakPolarHBondContact O-CB 3.45Å; S452-S455 PolarHBondContact N-O 2.76Å; S452-S455 PolarHBondContact O-N 3.33Å; S452-S455 VanDerWaalsContact O-N 3.12Å; S452-S455 VanDerWaalsContact O-O 3.1Å
456	S	92.4	Very high	87.5	Confident	1 Å²	1	58.2 Å²	58.2	1%	0.007	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	154.8	172.6	62.7	0	0	0	0	112	N420 A421 P422 I425	N420-S456 PolarHBondContact N-O 3.49Å; A421-S456 WeakPolarHBondContact CB-OG 3.27Å; A421-S456 PolarHBondContact N-O 2.91Å; A421-S456 PolarHBondContact O-N 3.04Å; A421-S456 PolarHBondContact O-OG 3.34Å; P422-S456 WeakPolarHBondContact O-CB 3.28Å; P422-S456 PolarHBondContact O-OG 3.37Å; I425-S456 WeakPolarHBondContact CG2-OG 3.48Å
457	S	94.5	Very high	87.7	Confident	28 Å²	28	57.2 Å²	57.2	20%	0.196	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	159.5	177.5	49.9	0	0	0	0	109.9	Y418 F448	Y418-S457 VanDerWaalsContact O-CA 3.22Å; Y418-S457 WeakPolarHBondContact O-CA 3.38Å; Y418-S457 VanDerWaalsContact O-CB 3.24Å; Y418-S457 WeakPolarHBondContact O-CB 3.29Å; F448-S457 WeakPolarHBondContact CD2-OG 3.43Å; F448-S457 PolarHBondContact N-O 3.26Å
458	G	95.1	Very high	87.9	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.4	-166.2	-176.3	0	0	0	0	0	113.3	H417 Y418 E446	H417-G458 WeakPolarHBondContact CA-O 3.32Å; H417-G458 PolarHBondContact CD2-O 3.02Å; H417-G458 VanDerWaalsContact CD2-O 3.28Å; Y418-G458 VanDerWaalsContact CD1-C 3.4Å; Y418-G458 WeakPolarHBondContact CD1-O 3.27Å; Y418-G458 VanDerWaalsContact CE1-C 3.4Å; Y418-G458 VanDerWaalsContact CE1-N 3.33Å; Y418-G458 PolarHBondContact N-O 3.11Å; Y418-G458 PolarHBondContact O-N 3.45Å; E446-G458 CarbonylContact O-C 3.39Å; E446-G458 WeakPolarHBondContact O-CA 3.35Å
459	F	96.3	Very high	88.3	Confident	38 Å²	38	50.9 Å²	50.9	17%	0.167	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	140.8	175.7	-62.5	-63.8	0	0	0	111.5	T415 L416 H417 I445 E446 F448 A496 L500	T415-F459 HydrophobicContact CG2-CB 3.93Å; T415-F459 HydrophobicContact CG2-CD1 4.07Å; T415-F459 HydrophobicContact CG2-CG 4.24Å; L416-F459 WeakPolarHBondContact O-CA 3.23Å; H417-F459 HydrophobicContact CB-CD1 4.02Å; H417-F459 HydrophobicContact CB-CE1 3.84Å; H417-F459 AromaticContact CD2-CE1 3.93Å; I445-F459 WeakPolarHBondContact CA-O 3.5Å; E446-F459 HydrophobicContact CB-CB 4.45Å; E446-F459 PolarHBondContact N-O 3.11Å; E446-F459 PolarHBondContact O-N 3.22Å; F448-F459 AromaticContact CE1-CD2 3.55Å; F448-F459 HydrophobicContact CE1-CD2 3.55Å; F448-F459 AromaticContact CE1-CE2 3.37Å; F448-F459 HydrophobicContact CE1-CE2 3.37Å; F448-F459 HydrophobicContact CE1-CG 4.4Å; F448-F459 HydrophobicContact CE1-CZ 4.11Å; F448-F459 AromaticContact CZ-CD2 3.87Å; F448-F459 HydrophobicContact CZ-CD2 3.87Å; F448-F459 HydrophobicContact CZ-CE1 4.3Å; F448-F459 AromaticContact CZ-CE2 3.47Å; F448-F459 HydrophobicContact CZ-CE2 3.47Å; F448-F459 VanDerWaalsContact CZ-CE2 3.47Å; F448-F459 HydrophobicContact CZ-CG 4.44Å; F448-F459 AromaticContact CZ-CZ 3.7Å; F448-F459 HydrophobicContact CZ-CZ 3.7Å; F459-A496 HydrophobicContact CD1-CB 3.9Å; F459-A496 HydrophobicContact CE1-CB 3.76Å; F459-L500 HydrophobicContact CE1-CD1 3.96Å; F459-L500 HydrophobicContact CE2-CD1 4.08Å; F459-L500 HydrophobicContact CE2-CD2 4.2Å; F459-L500 HydrophobicContact CZ-CD1 3.66Å
460	I	97.4	Very high	89.3	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	128.1	168	-52.9	-173.8	0	0	0	107.7	T415 L416 Y418 P442 R444 I445 W462 F493	T415-I460 CarbonylContact C-O 3.49Å; T415-I460 WeakPolarHBondContact CA-O 3.3Å; L416-I460 PolarHBondContact N-O 3.15Å; L416-I460 PolarHBondContact O-N 3.38Å; Y418-I460 HydrophobicContact CD1-CD1 4.07Å; Y418-I460 HydrophobicContact CD1-CG1 3.75Å; Y418-I460 HydrophobicContact CE1-CD1 4.49Å; Y418-I460 HydrophobicContact CE1-CG1 4.12Å; P442-I460 HydrophobicContact CB-CG2 3.22Å; P442-I460 HydrophobicContact CG-CG2 3.72Å; R444-I460 WeakPolarHBondContact O-CA 3.47Å; I445-I460 HydrophobicContact CG1-CG1 4.22Å; I445-I460 HydrophobicContact CG1-CG2 4.14Å; I445-I460 HydrophobicContact CG2-CG1 4.36Å; I460-W462 HydrophobicContact CB-CE3 4.44Å; I460-W462 HydrophobicContact CB-CH2 3.66Å; I460-W462 HydrophobicContact CB-CZ3 3.55Å; I460-W462 HydrophobicContact CD1-CH2 4.5Å; I460-W462 HydrophobicContact CG2-CD2 4.48Å; I460-W462 HydrophobicContact CG2-CE3 4.02Å; I460-W462 HydrophobicContact CG2-CH2 3.27Å; I460-W462 HydrophobicContact CG2-CZ2 3.78Å; I460-W462 HydrophobicContact CG2-CZ3 3.4Å; I460-W462 VanDerWaalsContact O-CZ3 3.3Å; I460-W462 WeakPolarHBondContact O-CZ3 3.38Å; I460-F493 HydrophobicContact CD1-CE1 4.01Å; I460-F493 HydrophobicContact CD1-CZ 4.27Å
461	K	97.2	Very high	90.8	Very high	25 Å²	25	37.3 Å²	37.3	11%	0.109	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	129.2	-176	-169.3	169	-178.9	172.5	0	110.2	R414 P442 Q443 R444 L500 E503	R414-K461 HydrophobicContact CG-CG 4.22Å; R414-K461 WeakPolarHBondContact O-CA 3.2Å; P442-K461 CarbonylContact C-O 3.48Å; Q443-K461 PolarHBondContact N-O 2.9Å; R444-K461 HydrophobicContact CB-CB 4.35Å; R444-K461 PolarHBondContact N-O 3.05Å; R444-K461 PolarHBondContact O-N 3.33Å; K461-L500 PolarHBondContact NZ-O 2.92Å; K461-E503 PolarHBondContact NZ-O 3.32Å; K461-E503 VanDerWaalsContact NZ-O 3.1Å
462	W	96.8	Very high	92.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.197	C	C	.	.			trans	-103	171	173.5	-77.3	-93.1	0	0	0	111.3	R414 L416 V434 P440 P442 I460 E467 A468 A471 F493	R414-W462 WeakPolarHBondContact CB-O 3.14Å; R414-W462 PolarHBondContact O-N 3.38Å; L416-W462 HydrophobicContact CB-CZ3 3.92Å; L416-W462 HydrophobicContact CD1-CE3 4.43Å; L416-W462 HydrophobicContact CD1-CH2 3.87Å; L416-W462 HydrophobicContact CD1-CZ3 3.62Å; L416-W462 HydrophobicContact CG-CE3 4.25Å; L416-W462 HydrophobicContact CG-CH2 4.39Å; L416-W462 HydrophobicContact CG-CZ3 3.64Å; V434-W462 HydrophobicContact CG1-CZ2 4.25Å; P440-W462 PolarHBondContact O-NE1 3.49Å; P442-W462 HydrophobicContact CB-CD2 4.17Å; P442-W462 HydrophobicContact CB-CZ2 4.04Å; I460-W462 HydrophobicContact CB-CE3 4.44Å; I460-W462 HydrophobicContact CB-CH2 3.66Å; I460-W462 HydrophobicContact CB-CZ3 3.55Å; I460-W462 HydrophobicContact CD1-CH2 4.5Å; I460-W462 HydrophobicContact CG2-CD2 4.48Å; I460-W462 HydrophobicContact CG2-CE3 4.02Å; I460-W462 HydrophobicContact CG2-CH2 3.27Å; I460-W462 HydrophobicContact CG2-CZ2 3.78Å; I460-W462 HydrophobicContact CG2-CZ3 3.4Å; I460-W462 VanDerWaalsContact O-CZ3 3.3Å; I460-W462 WeakPolarHBondContact O-CZ3 3.38Å; W462-E467 HydrophobicContact CB-CB 3.83Å; W462-E467 HydrophobicContact CG-CB 3.98Å; W462-A468 HydrophobicContact CB-CB 4.25Å; W462-A468 HydrophobicContact CD2-CB 4.27Å; W462-A468 HydrophobicContact CE3-CB 3.92Å; W462-A468 HydrophobicContact CG-CB 4.43Å; W462-A471 HydrophobicContact CD2-CB 4.34Å; W462-A471 HydrophobicContact CH2-CB 3.77Å; W462-A471 HydrophobicContact CZ2-CB 3.28Å; W462-A471 HydrophobicContact CZ3-CB 4.46Å; W462-F493 HydrophobicContact CH2-CE1 4.47Å
463	T	95.5	Very high	94.1	Very high	66 Å²	66	32.6 Å²	32.6	41%	0.405	18%	0.178	S	C	.	.	S	Bend	trans	-69.1	-40.5	178.9	-47.7	0	0	0	0	110.7	E467	T463-E467 WeakPolarHBondContact CB-OE2 3.5Å; T463-E467 PolarHBondContact N-OE2 2.78Å; T463-E467 PolarHBondContact OG1-OE2 3.05Å
464	T	95.2	Very high	95.4	Very high	57 Å²	57	25.7 Å²	25.7	35%	0.35	14%	0.141	S	C	.	.	S	Bend	trans	-130.5	157.9	-175.3	69.9	0	0	0	0	112.5	A466 E467 A468	T464-A466 PolarHBondContact O-N 2.85Å; T464-E467 PolarHBondContact N-OE2 2.87Å; T464-E467 PolarHBondContact O-N 2.82Å; T464-E467 WeakPolarHBondContact OG1-CG 3.44Å; T464-E467 PolarHBondContact OG1-N 2.97Å; T464-E467 VanDerWaalsContact OG1-N 3.16Å; T464-A468 PolarHBondContact O-N 2.78Å
465	D	95.4	Very high	96.3	Very high	69 Å²	69	21.2 Å²	21.2	37%	0.369	12%	0.122	S	C	.	.	H	α-helix	trans	-63.2	-30.5	173.9	-57.1	-13.4	0	0	0	111.1	R414 C469	R414-D465 WeakPolarHBondContact CB-OD1 3.12Å; R414-D465 PolarHBondContact N-OD1 2.73Å; R414-D465 IonicContact NE-OD1 3.77Å; D465-C469 VanDerWaalsContact O-CB 3.32Å; D465-C469 WeakPolarHBondContact O-CB 3.3Å; D465-C469 PolarHBondContact O-N 2.85Å
466	A	96.5	Very high	96.7	Very high	35 Å²	35	19.9 Å²	19.9	29%	0.289	11%	0.113	S	C	.	.	H	α-helix	trans	-64.3	-45.5	176.6	0	0	0	0	0	112	S355 T464 C469 E470	S355-A466 WeakPolarHBondContact O-CA 3.26Å; S355-A466 WeakPolarHBondContact O-CB 3.23Å; T464-A466 PolarHBondContact O-N 2.85Å; A466-C469 PolarHBondContact O-N 3.49Å; A466-E470 PolarHBondContact O-N 2.97Å
467	E	97.4	Very high	96.9	Very high	52 Å²	52	21 Å²	21	24%	0.243	12%	0.117	C	C	.	.	H	α-helix	trans	-63.9	-43.8	176.6	-75.2	169.2	-168.3	0	0	111.8	P440 W462 T463 T464 C469 E470 A471	P440-E467 HydrophobicContact CB-CB 4.03Å; P440-E467 HydrophobicContact CB-CG 3.86Å; P440-E467 HydrophobicContact CG-CB 4.08Å; P440-E467 HydrophobicContact CG-CG 3.98Å; W462-E467 HydrophobicContact CB-CB 3.83Å; W462-E467 HydrophobicContact CG-CB 3.98Å; T463-E467 WeakPolarHBondContact CB-OE2 3.5Å; T463-E467 PolarHBondContact N-OE2 2.78Å; T463-E467 PolarHBondContact OG1-OE2 3.05Å; T464-E467 PolarHBondContact N-OE2 2.87Å; T464-E467 PolarHBondContact O-N 2.82Å; T464-E467 WeakPolarHBondContact OG1-CG 3.44Å; T464-E467 PolarHBondContact OG1-N 2.97Å; T464-E467 VanDerWaalsContact OG1-N 3.16Å; E467-C469 VanDerWaalsContact C-N 3.32Å; E467-C469 PolarHBondContact O-N 2.67Å; E467-E470 PolarHBondContact O-N 3.01Å; E467-A471 WeakPolarHBondContact O-CB 3.47Å; E467-A471 PolarHBondContact O-N 3.24Å
468	A	97.7	Very high	97.1	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-63.7	-38.3	175.6	0	0	0	0	0	111.9	S413 L416 W462 T464 A471 L472	S413-A468 VanDerWaalsContact O-CB 3.24Å; S413-A468 WeakPolarHBondContact O-CB 3.09Å; L416-A468 WeakPolarHBondContact CD1-O 3.43Å; L416-A468 HydrophobicContact CD2-CB 4.31Å; L416-A468 HydrophobicContact CG-CB 4.25Å; W462-A468 HydrophobicContact CB-CB 4.25Å; W462-A468 HydrophobicContact CD2-CB 4.27Å; W462-A468 HydrophobicContact CE3-CB 3.92Å; W462-A468 HydrophobicContact CG-CB 4.43Å; T464-A468 PolarHBondContact O-N 2.78Å; A468-A471 PolarHBondContact O-N 3.02Å; A468-L472 WeakPolarHBondContact O-CB 3.49Å; A468-L472 PolarHBondContact O-N 2.75Å
469	C	97.5	Very high	97	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-67.3	-37.2	175.8	-162.8	0	0	0	0	112	F356 D465 A466 E467 L472 A473 F495	F356-C469 HydrophobicContact CB-CB 3.9Å; F356-C469 HydrophobicContact CG-CB 4.21Å; D465-C469 VanDerWaalsContact O-CB 3.32Å; D465-C469 WeakPolarHBondContact O-CB 3.3Å; D465-C469 PolarHBondContact O-N 2.85Å; A466-C469 PolarHBondContact O-N 3.49Å; E467-C469 VanDerWaalsContact C-N 3.32Å; E467-C469 PolarHBondContact O-N 2.67Å; C469-L472 PolarHBondContact O-N 3.19Å; C469-A473 PolarHBondContact O-N 3.09Å; C469-A473 VanDerWaalsContact O-N 3.09Å; C469-F495 HydrophobicContact CB-CZ 4.21Å
470	E	97.6	Very high	96.9	Very high	31 Å²	31	25.9 Å²	25.9	15%	0.145	14%	0.144	C	C	.	.	H	α-helix	trans	-65.7	-43.4	173	-177.6	155.7	-166.2	0	0	111.3	K305 M357 P440 A466 E467 L472 A473 L474	K305-E470 IonicContact NZ-OE1 2.88Å; K305-E470 PolarHBondContact NZ-OE1 2.86Å; M357-E470 HydrophobicContact CE-CB 4.45Å; M357-E470 HydrophobicContact CE-CG 3.72Å; M357-E470 HydrophobicContact CG-CB 4.32Å; M357-E470 VanDerWaalsContact CG-CD 3.45Å; M357-E470 HydrophobicContact CG-CG 3.84Å; M357-E470 WeakPolarHBondContact CG-OE1 3.35Å; P440-E470 HydrophobicContact CG-CB 4.46Å; P440-E470 HydrophobicContact CG-CG 4.33Å; A466-E470 PolarHBondContact O-N 2.97Å; E467-E470 PolarHBondContact O-N 3.01Å; E470-L472 PolarHBondContact O-N 3.49Å; E470-A473 WeakPolarHBondContact O-CB 3.48Å; E470-A473 PolarHBondContact O-N 3.43Å; E470-L474 HydrophobicContact CG-CD1 3.83Å; E470-L474 WeakPolarHBondContact O-CG 3.28Å; E470-L474 PolarHBondContact O-N 3.21Å; E470-L474 VanDerWaalsContact O-N 3.08Å
471	A	98.3	Very high	96.3	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.008	18%	0.183	C	C	.	.	H	α-helix	trans	-62.5	-41.6	174	0	0	0	0	0	112.5	L416 A439 W462 E467 A468 A473 L474 C475	L416-A471 HydrophobicContact CD1-CB 4.32Å; A439-A471 HydrophobicContact CB-CB 3.99Å; W462-A471 HydrophobicContact CD2-CB 4.34Å; W462-A471 HydrophobicContact CH2-CB 3.77Å; W462-A471 HydrophobicContact CZ2-CB 3.28Å; W462-A471 HydrophobicContact CZ3-CB 4.46Å; E467-A471 WeakPolarHBondContact O-CB 3.47Å; E467-A471 PolarHBondContact O-N 3.24Å; A468-A471 PolarHBondContact O-N 3.02Å; A471-A473 VanDerWaalsContact C-N 3.31Å; A471-A473 PolarHBondContact O-N 2.86Å; A471-L474 PolarHBondContact O-N 2.77Å; A471-C475 WeakPolarHBondContact O-CB 3.47Å; A471-C475 PolarHBondContact O-N 3.11Å
472	L	98.3	Very high	95.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-58	-44	174	176.4	67.5	0	0	0	111.3	I317 L416 A468 C469 E470 L474 N476 F493 F495	I317-L472 HydrophobicContact CD1-CD2 3.81Å; I317-L472 HydrophobicContact CG2-CD1 4.39Å; L416-L472 HydrophobicContact CD1-CB 4.03Å; L416-L472 HydrophobicContact CD2-CB 4.39Å; A468-L472 WeakPolarHBondContact O-CB 3.49Å; A468-L472 PolarHBondContact O-N 2.75Å; C469-L472 PolarHBondContact O-N 3.19Å; E470-L472 PolarHBondContact O-N 3.49Å; L472-L474 VanDerWaalsContact C-N 3.34Å; L472-L474 PolarHBondContact O-N 3.42Å; L472-N476 HydrophobicContact CD1-CB 4.11Å; L472-N476 WeakPolarHBondContact O-CB 3.43Å; L472-N476 PolarHBondContact O-N 3.07Å; L472-F493 HydrophobicContact CD1-CB 3.62Å; L472-F495 HydrophobicContact CD2-CD2 4.32Å; L472-F495 HydrophobicContact CD2-CE1 4.39Å; L472-F495 HydrophobicContact CD2-CE2 3.64Å; L472-F495 HydrophobicContact CD2-CZ 3.68Å
473	A	97.9	Very high	94.7	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-62.7	-40.9	179	0	0	0	0	0	112.2	M306 N313 I314 M357 C469 E470 A471	M306-A473 HydrophobicContact SD-CB 4.35Å; N313-A473 PolarHBondContact ND2-O 2.89Å; I314-A473 HydrophobicContact CD1-CB 3.75Å; I314-A473 HydrophobicContact CG1-CB 3.84Å; M357-A473 HydrophobicContact CE-CB 4.01Å; C469-A473 PolarHBondContact O-N 3.09Å; C469-A473 VanDerWaalsContact O-N 3.09Å; E470-A473 WeakPolarHBondContact O-CB 3.48Å; E470-A473 PolarHBondContact O-N 3.43Å; A471-A473 VanDerWaalsContact C-N 3.31Å; A471-A473 PolarHBondContact O-N 2.86Å
474	L	97.9	Very high	93.8	Very high	15 Å²	15	49.2 Å²	49.2	8%	0.079	25%	0.247	C	C	.	.	H	α-helix	trans	-87.8	-39.9	-171.3	-66.7	169.7	0	0	0	113.8	M357 C437 G438 A439 E470 A471 L472 Q478	M357-L474 HydrophobicContact CE-CD1 4.34Å; M357-L474 HydrophobicContact CE-CD2 4.27Å; M357-L474 HydrophobicContact CE-CG 4.1Å; C437-L474 HydrophobicContact CB-CB 4.47Å; G438-L474 WeakPolarHBondContact O-CD1 3.29Å; A439-L474 HydrophobicContact CB-CB 4.27Å; A439-L474 HydrophobicContact CB-CD1 4Å; E470-L474 HydrophobicContact CG-CD1 3.83Å; E470-L474 WeakPolarHBondContact O-CG 3.28Å; E470-L474 PolarHBondContact O-N 3.21Å; E470-L474 VanDerWaalsContact O-N 3.08Å; A471-L474 PolarHBondContact O-N 2.77Å; L472-L474 VanDerWaalsContact C-N 3.34Å; L472-L474 PolarHBondContact O-N 3.42Å; L474-Q478 VanDerWaalsContact O-CG 3.27Å; L474-Q478 WeakPolarHBondContact O-CG 3.29Å
475	C	98.2	Very high	92.6	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-95.6	-25	-170.3	-61.4	0	0	0	0	113.9	F433 C437 A471 H477 Q478 I491 F493	F433-C475 HydrophobicContact CE1-CB 3.88Å; F433-C475 HydrophobicContact CZ-CB 3.97Å; C437-C475 VanDerWaalsContact CB-SG 3.53Å; A471-C475 WeakPolarHBondContact O-CB 3.47Å; A471-C475 PolarHBondContact O-N 3.11Å; C475-H477 PolarHBondContact O-N 2.96Å; C475-Q478 WeakPolarHBondContact O-CB 3.28Å; C475-Q478 WeakPolarHBondContact O-CG 3.5Å; C475-Q478 PolarHBondContact O-N 2.92Å; C475-Q478 VanDerWaalsContact O-N 3.12Å; C475-I491 WeakPolarHBondContact O-CG2 3.41Å; C475-F493 HydrophobicContact CB-CD2 4.21Å; C475-F493 HydrophobicContact CB-CE2 3.69Å; C475-F493 HydrophobicContact CB-CZ 4.21Å
476	N	98.1	Very high	91.3	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	133.6	-176.2	-164.6	23.9	0	0	0	111.2	N313 R397 L472 Q478 F493	N313-N476 HydrophobicContact CB-CB 3.99Å; N313-N476 PolarHBondContact ND2-O 3.1Å; N313-N476 PolarHBondContact O-ND2 3.44Å; N313-N476 PolarHBondContact OD1-O 2.75Å; R397-N476 PolarHBondContact NH2-ND2 3.3Å; R397-N476 PolarHBondContact NH2-OD1 3.38Å; L472-N476 HydrophobicContact CD1-CB 4.11Å; L472-N476 WeakPolarHBondContact O-CB 3.43Å; L472-N476 PolarHBondContact O-N 3.07Å; N476-Q478 PolarHBondContact O-N 2.8Å; N476-F493 HydrophobicContact CB-CB 4.3Å; N476-F493 HydrophobicContact CB-CD2 4.45Å; N476-F493 PolarHBondContact OD1-N 2.83Å
477	H	97.2	Very high	90	Very high	23 Å²	23	55.4 Å²	55.4	11%	0.106	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.1	16	-175.2	-39.1	120.9	0	0	0	115.6	F312 N313 C316 N395 R397 C475 T490 I491	F312-H477 AromaticContact CE1-CE1 3.62Å; F312-H477 AromaticContact CE1-ND1 3.7Å; N313-H477 PolarHBondContact OD1-ND1 3.42Å; C316-H477 PolarHBondContact SG-CE1 3.4Å; N395-H477 PolarHBondContact OD1-CD2 2.62Å; R397-H477 PolarHBondContact NH2-NE2 2.63Å; C475-H477 PolarHBondContact O-N 2.96Å; H477-T490 HydrophobicContact CB-CG2 3.97Å; H477-I491 WeakPolarHBondContact CA-O 3.25Å; H477-I491 PolarHBondContact N-O 2.77Å
478	Q	96.8	Very high	89.3	Confident	81 Å²	81	55.5 Å²	55.5	38%	0.379	28%	0.281	S	S	.	.			trans	-75.3	142.9	171.8	-67.4	-62.7	-29.5	0	0	111.1	F433 L474 C475 N476 I491	F433-Q478 HydrophobicContact CE2-CB 3.63Å; F433-Q478 HydrophobicContact CZ-CB 3.77Å; L474-Q478 VanDerWaalsContact O-CG 3.27Å; L474-Q478 WeakPolarHBondContact O-CG 3.29Å; C475-Q478 WeakPolarHBondContact O-CB 3.28Å; C475-Q478 WeakPolarHBondContact O-CG 3.5Å; C475-Q478 PolarHBondContact O-N 2.92Å; C475-Q478 VanDerWaalsContact O-N 3.12Å; N476-Q478 PolarHBondContact O-N 2.8Å; Q478-I491 WeakPolarHBondContact O-CG2 3.4Å; Q478-I491 PolarHBondContact O-N 2.64Å; Q478-I491 VanDerWaalsContact O-N 3.15Å
479	P	94	Very high	89	Confident	72 Å²	72	56.7 Å²	56.7	47%	0.468	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	134.9	177.3	29.7	-32.2	0	0	0	111.4	P488 F489	P479-P488 HydrophobicContact CB-CB 3.79Å; P479-P488 HydrophobicContact CB-CG 4.34Å; P479-F489 CarbonylContact C-O 3.58Å; P479-F489 WeakPolarHBondContact CA-O 3.24Å
480	I	93.1	Very high	88.8	Confident	16 Å²	16	57.9 Å²	57.9	8%	0.082	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	121.2	167	-55.3	-177.4	0	0	0	107.1	A421 P422 I425 F433 F489 I491	A421-I480 HydrophobicContact CB-CD1 4.3Å; P422-I480 HydrophobicContact CG-CB 4.24Å; P422-I480 HydrophobicContact CG-CG2 3.61Å; I425-I480 HydrophobicContact CD1-CD1 4.17Å; I425-I480 HydrophobicContact CD1-CG2 4.01Å; F433-I480 HydrophobicContact CD1-CD1 4.2Å; F433-I480 HydrophobicContact CD2-CD1 3.96Å; F433-I480 HydrophobicContact CD2-CG1 3.63Å; F433-I480 HydrophobicContact CE1-CD1 4.41Å; F433-I480 HydrophobicContact CE2-CD1 4.16Å; F433-I480 HydrophobicContact CE2-CG1 3.75Å; F433-I480 HydrophobicContact CG-CD1 3.98Å; F433-I480 HydrophobicContact CG-CG1 4.16Å; F433-I480 HydrophobicContact CZ-CD1 4.4Å; F433-I480 HydrophobicContact CZ-CG1 4.39Å; I480-F489 HydrophobicContact CB-CB 4.47Å; I480-F489 PolarHBondContact N-O 3.42Å; I480-F489 PolarHBondContact O-N 3.21Å; I480-I491 HydrophobicContact CD1-CB 3.94Å; I480-I491 HydrophobicContact CD1-CD1 3.77Å; I480-I491 HydrophobicContact CD1-CG1 4.38Å; I480-I491 HydrophobicContact CD1-CG2 4.28Å; I480-I491 HydrophobicContact CG1-CB 4.43Å
481	K	85.3	Confident	88.7	Confident	189 Å²	189	56.4 Å²	56.4	82%	0.822	29%	0.287	S	S	*	.			trans	-80.9	142.7	174.5	-71.8	-173.7	177	-174.5	0	109.3
482	D	81.8	Confident	88.6	Confident	35 Å²	35	58 Å²	58	19%	0.187	29%	0.294	C	S	.	.			trans	-124.7	132.2	170.8	-180	-74.3	0	0	0	106.6	P422 E484 C485 F489	P422-D482 HydrophobicContact CB-CB 4.08Å; P422-D482 WeakPolarHBondContact CB-OD2 3.5Å; P422-D482 HydrophobicContact CG-CB 4.14Å; D482-E484 VanDerWaalsContact C-N 3.27Å; D482-E484 PolarHBondContact O-N 2.76Å; D482-E484 WeakPolarHBondContact OD1-CA 3.16Å; D482-E484 WeakPolarHBondContact OD1-CB 3.25Å; D482-E484 PolarHBondContact OD1-N 2.94Å; D482-C485 HydrophobicContact CB-CB 4.18Å; D482-C485 PolarHBondContact O-N 2.75Å; D482-C485 PolarHBondContact OD1-N 2.71Å; D482-F489 HydrophobicContact CB-CD2 4.03Å; D482-F489 HydrophobicContact CB-CE2 3.83Å
483	E	79.9	Confident	88.6	Confident	207 Å²	207	58 Å²	58	97%	0.967	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-23.1	-174.8	-62.9	-169.6	167.1	0	0	112.8
484	E	75.5	Confident	88.6	Confident	150 Å²	150	58.5 Å²	58.5	70%	0.701	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-16.3	177.2	-57.3	-175.1	161.7	0	0	111.8	K424 D482	K424-E484 IonicContact NZ-OE1 2.67Å; K424-E484 PolarHBondContact NZ-OE1 3.4Å; K424-E484 IonicContact NZ-OE2 2.89Å; K424-E484 PolarHBondContact NZ-OE2 3.06Å; D482-E484 VanDerWaalsContact C-N 3.27Å; D482-E484 PolarHBondContact O-N 2.76Å; D482-E484 WeakPolarHBondContact OD1-CA 3.16Å; D482-E484 WeakPolarHBondContact OD1-CB 3.25Å; D482-E484 PolarHBondContact OD1-N 2.94Å
485	C	69.3	Low	88.5	Confident	64 Å²	64	58 Å²	58	43%	0.432	30%	0.296	S	S	.	.			trans	-112	137	-177.4	-96.1	0	0	0	0	113.8	D482 Y487 F489	D482-C485 HydrophobicContact CB-CB 4.18Å; D482-C485 PolarHBondContact O-N 2.75Å; D482-C485 PolarHBondContact OD1-N 2.71Å; C485-Y487 VanDerWaalsContact C-N 3.28Å; C485-Y487 PolarHBondContact O-N 3.44Å; C485-F489 HydrophobicContact CB-CE2 4.01Å
486	T	69	Low	88.4	Confident	133 Å²	133	58.2 Å²	58.2	82%	0.816	30%	0.297	S	S	*	.	S	Bend	trans	-72.9	-19.2	177.7	15.9	0	0	0	0	113.8
487	Y	69	Low	88.1	Confident	94 Å²	94	59.9 Å²	59.9	37%	0.369	31%	0.309	S	S	.	.	S	Bend	trans	-119	137.8	-175.5	-62.2	-79.4	0	0	0	111.2	N231 C485	N231-Y487 HydrophobicContact CB-CE1 4.4Å; C485-Y487 VanDerWaalsContact C-N 3.28Å; C485-Y487 PolarHBondContact O-N 3.44Å
488	P	83	Confident	87.4	Confident	54 Å²	54	61.6 Å²	61.6	35%	0.351	32%	0.322	S	S	.	.			trans	-71.9	138.4	179.2	29.1	-33.1	0	0	0	111.4	P479	P479-P488 HydrophobicContact CB-CB 3.79Å; P479-P488 HydrophobicContact CB-CG 4.34Å
489	F	90.4	Very high	86.7	Confident	26 Å²	26	61.7 Å²	61.7	11%	0.114	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	125.2	171.1	-73.3	-90.6	0	0	0	109.7	N420 P422 K454 P479 I480 D482 C485 I491	N420-F489 WeakPolarHBondContact O-CB 3.26Å; P422-F489 HydrophobicContact CB-CD2 4.03Å; P422-F489 HydrophobicContact CB-CE2 4.13Å; P422-F489 HydrophobicContact CB-CG 4.5Å; P422-F489 HydrophobicContact CG-CB 4.25Å; P422-F489 HydrophobicContact CG-CD2 3.72Å; P422-F489 HydrophobicContact CG-CE2 4.31Å; P422-F489 HydrophobicContact CG-CG 4.06Å; K454-F489 WeakPolarHBondContact O-CE1 3.31Å; P479-F489 CarbonylContact C-O 3.58Å; P479-F489 WeakPolarHBondContact CA-O 3.24Å; I480-F489 HydrophobicContact CB-CB 4.47Å; I480-F489 PolarHBondContact N-O 3.42Å; I480-F489 PolarHBondContact O-N 3.21Å; D482-F489 HydrophobicContact CB-CD2 4.03Å; D482-F489 HydrophobicContact CB-CE2 3.83Å; C485-F489 HydrophobicContact CB-CE2 4.01Å; F489-I491 PolarHBondContact O-N 3.06Å
490	T	93.9	Very high	85.8	Confident	24 Å²	24	61.4 Å²	61.4	15%	0.147	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	101	175.2	-59.6	0	0	0	0	108.8	N420 H477	N420-T490 PolarHBondContact ND2-O 3.13Å; H477-T490 HydrophobicContact CB-CG2 3.97Å
491	I	95.8	Very high	84.6	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	33%	0.325	C	S	.	.			trans	-66.9	139.7	-178	-164.6	168.3	0	0	0	110.2	Y418 A421 L430 F433 C475 H477 Q478 I480 F489 F493	Y418-I491 HydrophobicContact CD2-CD1 3.89Å; Y418-I491 HydrophobicContact CD2-CG1 4.33Å; Y418-I491 HydrophobicContact CG-CD1 4.28Å; A421-I491 HydrophobicContact CB-CD1 4.07Å; A421-I491 HydrophobicContact CB-CG1 4.35Å; L430-I491 HydrophobicContact CD2-CD1 4.14Å; F433-I491 HydrophobicContact CE1-CD1 4.21Å; F433-I491 HydrophobicContact CE1-CG2 3.94Å; F433-I491 HydrophobicContact CE2-CG2 4.25Å; F433-I491 HydrophobicContact CZ-CG2 3.48Å; F433-I491 VanDerWaalsContact CZ-CG2 3.48Å; C475-I491 WeakPolarHBondContact O-CG2 3.41Å; H477-I491 WeakPolarHBondContact CA-O 3.25Å; H477-I491 PolarHBondContact N-O 2.77Å; Q478-I491 WeakPolarHBondContact O-CG2 3.4Å; Q478-I491 PolarHBondContact O-N 2.64Å; Q478-I491 VanDerWaalsContact O-N 3.15Å; I480-I491 HydrophobicContact CD1-CB 3.94Å; I480-I491 HydrophobicContact CD1-CD1 3.77Å; I480-I491 HydrophobicContact CD1-CG1 4.38Å; I480-I491 HydrophobicContact CD1-CG2 4.28Å; I480-I491 HydrophobicContact CG1-CB 4.43Å; F489-I491 PolarHBondContact O-N 3.06Å; I491-F493 HydrophobicContact CB-CE2 4.35Å; I491-F493 HydrophobicContact CD1-CE2 3.63Å; I491-F493 HydrophobicContact CD1-CZ 3.7Å; I491-F493 HydrophobicContact CG1-CD2 4.27Å; I491-F493 HydrophobicContact CG1-CE2 3.75Å; I491-F493 HydrophobicContact CG1-CZ 4.27Å; I491-F493 HydrophobicContact CG2-CD2 4.2Å; I491-F493 HydrophobicContact CG2-CE2 3.66Å
492	K	96.8	Very high	83.5	Confident	34 Å²	34	55.8 Å²	55.8	15%	0.148	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	135.8	179.5	-67.5	175.4	177.5	-178.1	0	108.9	Y418 W419	Y418-K492 CarbonylContact C-O 3.49Å; Y418-K492 VanDerWaalsContact CA-O 3.24Å; Y418-K492 WeakPolarHBondContact CA-O 3.26Å; W419-K492 HydrophobicContact CD2-CB 3.7Å; W419-K492 HydrophobicContact CE3-CB 4.25Å; W419-K492 VanDerWaalsContact CE3-O 3.24Å; W419-K492 HydrophobicContact CG-CB 4.19Å; W419-K492 HydrophobicContact CH2-CB 4.09Å; W419-K492 HydrophobicContact CZ2-CB 3.49Å; W419-K492 VanDerWaalsContact CZ2-CB 3.49Å; W419-K492 HydrophobicContact CZ2-CD 4.14Å; W419-K492 HydrophobicContact CZ2-CG 4.39Å; W419-K492 HydrophobicContact CZ3-CB 4.42Å; W419-K492 PolarHBondContact N-O 3.28Å; W419-K492 VanDerWaalsContact NE1-CD 3.31Å; W419-K492 PolarHBondContact O-N 3.18Å
493	F	97.6	Very high	82.3	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	149.1	179.3	-75.3	-91.4	0	0	0	112	R397 L416 H417 F433 I460 W462 L472 C475 N476 I491	R397-F493 VanDerWaalsContact CZ-O 3.25Å; R397-F493 PolarHBondContact NH1-O 2.9Å; R397-F493 PolarHBondContact NH2-O 2.89Å; L416-F493 HydrophobicContact CB-CD1 3.72Å; L416-F493 HydrophobicContact CB-CE1 4.4Å; L416-F493 HydrophobicContact CD1-CB 4.38Å; L416-F493 HydrophobicContact CD1-CD1 3.67Å; L416-F493 HydrophobicContact CD1-CE1 4.28Å; L416-F493 HydrophobicContact CD1-CG 4.29Å; L416-F493 HydrophobicContact CG-CD1 4.37Å; H417-F493 CarbonylContact O-C 3.35Å; H417-F493 VanDerWaalsContact O-CA 3.32Å; H417-F493 WeakPolarHBondContact O-CA 3.44Å; F433-F493 HydrophobicContact CE1-CE2 4.12Å; F433-F493 HydrophobicContact CE1-CZ 4.28Å; I460-F493 HydrophobicContact CD1-CE1 4.01Å; I460-F493 HydrophobicContact CD1-CZ 4.27Å; W462-F493 HydrophobicContact CH2-CE1 4.47Å; L472-F493 HydrophobicContact CD1-CB 3.62Å; C475-F493 HydrophobicContact CB-CD2 4.21Å; C475-F493 HydrophobicContact CB-CE2 3.69Å; C475-F493 HydrophobicContact CB-CZ 4.21Å; N476-F493 HydrophobicContact CB-CB 4.3Å; N476-F493 HydrophobicContact CB-CD2 4.45Å; N476-F493 PolarHBondContact OD1-N 2.83Å; I491-F493 HydrophobicContact CB-CE2 4.35Å; I491-F493 HydrophobicContact CD1-CE2 3.63Å; I491-F493 HydrophobicContact CD1-CZ 3.7Å; I491-F493 HydrophobicContact CG1-CD2 4.27Å; I491-F493 HydrophobicContact CG1-CE2 3.75Å; I491-F493 HydrophobicContact CG1-CZ 4.27Å; I491-F493 HydrophobicContact CG2-CD2 4.2Å; I491-F493 HydrophobicContact CG2-CE2 3.66Å
494	A	97.3	Very high	80.8	Confident	12 Å²	12	56.3 Å²	56.3	10%	0.099	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	156.3	166.9	0	0	0	0	0	110.3	L416 H417 W419 A496	L416-A494 CarbonylContact C-O 3.56Å; L416-A494 WeakPolarHBondContact CA-O 3.21Å; H417-A494 PolarHBondContact N-O 3.45Å; H417-A494 PolarHBondContact O-N 3.45Å; W419-A494 HydrophobicContact CH2-CB 3.89Å; W419-A494 HydrophobicContact CZ3-CB 3.82Å; A494-A496 PolarHBondContact O-N 2.92Å
495	F	97.3	Very high	79.3	Confident	5 Å²	5	53.2 Å²	53.2	2%	0.022	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	134.3	172.1	-67.6	-64.1	0	0	0	110.9	I317 Y318 H410 P411 P412 S413 L416 C469 L472	I317-F495 HydrophobicContact CD1-CD2 3.43Å; I317-F495 VanDerWaalsContact CD1-CD2 3.43Å; I317-F495 HydrophobicContact CD1-CE2 3.75Å; I317-F495 HydrophobicContact CD1-CG 4.41Å; Y318-F495 WeakPolarHBondContact OH-CD2 3.49Å; H410-F495 HydrophobicContact CB-CB 4.11Å; H410-F495 PolarHBondContact CD2-O 2.95Å; P411-F495 WeakPolarHBondContact O-CB 3.5Å; P412-F495 HydrophobicContact CB-CE1 4.07Å; P412-F495 HydrophobicContact CB-CE2 4.09Å; P412-F495 HydrophobicContact CB-CZ 3.83Å; P412-F495 HydrophobicContact CG-CE2 4.02Å; P412-F495 HydrophobicContact CG-CZ 4.18Å; S413-F495 VanDerWaalsContact N-CD1 3.28Å; S413-F495 WeakPolarHBondContact O-CD1 3.06Å; L416-F495 HydrophobicContact CD2-CD1 3.44Å; L416-F495 VanDerWaalsContact CD2-CD1 3.44Å; L416-F495 HydrophobicContact CD2-CE1 3.7Å; L416-F495 HydrophobicContact CD2-CG 4.25Å; C469-F495 HydrophobicContact CB-CZ 4.21Å; L472-F495 HydrophobicContact CD2-CD2 4.32Å; L472-F495 HydrophobicContact CD2-CE1 4.39Å; L472-F495 HydrophobicContact CD2-CE2 3.64Å; L472-F495 HydrophobicContact CD2-CZ 3.68Å
496	A	95.5	Very high	77.7	Confident	4 Å²	4	58.9 Å²	58.9	3%	0.033	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-84.5	167	173.4	0	0	0	0	0	110.9	S413 T415 F459 A494 L500	S413-A496 PolarHBondContact OG-O 2.62Å; T415-A496 HydrophobicContact CG2-CB 3.85Å; T415-A496 WeakPolarHBondContact O-CB 3.35Å; T415-A496 PolarHBondContact O-N 3.21Å; F459-A496 HydrophobicContact CD1-CB 3.9Å; F459-A496 HydrophobicContact CE1-CB 3.76Å; A494-A496 PolarHBondContact O-N 2.92Å; A496-L500 HydrophobicContact CB-CD1 4.2Å
497	S	91.8	Very high	76	Confident	34 Å²	34	59.2 Å²	59.2	24%	0.238	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-53.9	134	176.6	179.8	0	0	0	0	111.3	S499 L500	S497-S499 PolarHBondContact O-N 2.93Å; S497-S499 PolarHBondContact OG-N 2.72Å; S497-S499 PolarHBondContact OG-OG 2.77Å; S497-L500 WeakPolarHBondContact O-CB 3.35Å; S497-L500 PolarHBondContact O-N 2.84Å
498	P	81.2	Confident	74.1	Confident	59 Å²	59	57.9 Å²	57.9	38%	0.383	35%	0.351	S	S	.	.	H	α-helix	trans	-55.3	-24.8	175.7	-25.9	34.1	0	0	0	114	P411 L500 S501 A502	P411-P498 HydrophobicContact CG-CG 3.94Å; P498-L500 VanDerWaalsContact C-N 3.3Å; P498-L500 PolarHBondContact O-N 2.78Å; P498-S501 VanDerWaalsContact O-CB 3.3Å; P498-S501 WeakPolarHBondContact O-CB 3.45Å; P498-S501 PolarHBondContact O-N 2.88Å; P498-S501 VanDerWaalsContact O-N 3.07Å; P498-A502 PolarHBondContact O-N 3.09Å
499	S	82.2	Confident	71.5	Confident	84 Å²	84	60.1 Å²	60.1	59%	0.587	37%	0.368	S	S	*	.	H	α-helix	trans	-62.5	-33.7	176.1	59	0	0	0	0	113.2	S497 S501	S497-S499 PolarHBondContact O-N 2.93Å; S497-S499 PolarHBondContact OG-N 2.72Å; S497-S499 PolarHBondContact OG-OG 2.77Å; S499-S501 VanDerWaalsContact C-N 3.28Å
500	L	76.4	Confident	68.5	Low	66 Å²	66	66.6 Å²	66.6	35%	0.346	40%	0.404	S	S	.	.	H	α-helix	trans	-72.7	-25.7	174.3	-74.2	150.3	0	0	0	111.7	F459 K461 A496 S497 P498	F459-L500 HydrophobicContact CE1-CD1 3.96Å; F459-L500 HydrophobicContact CE2-CD1 4.08Å; F459-L500 HydrophobicContact CE2-CD2 4.2Å; F459-L500 HydrophobicContact CZ-CD1 3.66Å; K461-L500 PolarHBondContact NZ-O 2.92Å; A496-L500 HydrophobicContact CB-CD1 4.2Å; S497-L500 WeakPolarHBondContact O-CB 3.35Å; S497-L500 PolarHBondContact O-N 2.84Å; P498-L500 VanDerWaalsContact C-N 3.3Å; P498-L500 PolarHBondContact O-N 2.78Å
501	S	68.1	Low	65.3	Low	9 Å²	9	74.6 Å²	74.6	6%	0.063	44%	0.437	C	S	.	.	H	α-helix	trans	-78.3	-23.7	179.7	-48	0	0	0	0	112.5	S413 T415 P498 S499	S413-S501 WeakPolarHBondContact CB-OG 3.49Å; T415-S501 PolarHBondContact OG1-OG 3.33Å; P498-S501 VanDerWaalsContact O-CB 3.3Å; P498-S501 WeakPolarHBondContact O-CB 3.45Å; P498-S501 PolarHBondContact O-N 2.88Å; P498-S501 VanDerWaalsContact O-N 3.07Å; S499-S501 VanDerWaalsContact C-N 3.28Å
502	A	61.4	Low	62.2	Low	77 Å²	77	78.9 Å²	78.9	64%	0.636	47%	0.466	S	S	*	.			trans	-77.7	-19.3	-173.2	0	0	0	0	0	114.8	P498	P498-A502 PolarHBondContact O-N 3.09Å
503	E	57.3	Low	58.9	Low	136 Å²	136	85.4 Å²	85.4	64%	0.636	50%	0.503	S	S	*	.	S	Bend	trans	-63.9	127.1	-179.6	-72	-154.6	166.8	0	0	111.9	K461	K461-E503 PolarHBondContact NZ-O 3.32Å; K461-E503 VanDerWaalsContact NZ-O 3.1Å
504	P	48.2	Very low	55.6	Low	117 Å²	117	93.2 Å²	93.2	76%	0.76	54%	0.54	S	S	*	.			trans	-61.5	134.5	174	-15	27.1	0	0	0	110.1	H506	P504-H506 PolarHBondContact O-N 2.95Å; P504-H506 VanDerWaalsContact O-N 3.08Å
505	I	43.8	Very low	52.4	Low	86 Å²	86	101.1 Å²	101.1	44%	0.441	57%	0.574	S	S	.	*			trans	-75.5	104.1	179.6	-57.5	156.6	0	0	0	107.4	V507	I505-V507 PolarHBondContact O-N 2.91Å
506	H	36.1	Very low	49.2	Very low	182 Å²	182	108.3 Å²	108.3	84%	0.843	61%	0.613	S	S	*	*			trans	-77.6	112.8	163.4	-108.7	22.1	0	0	0	108.2	P504 G508	P504-H506 PolarHBondContact O-N 2.95Å; P504-H506 VanDerWaalsContact O-N 3.08Å; H506-G508 PolarHBondContact O-N 2.99Å
507	V	32.9	Very low	46	Very low	141 Å²	141	111.6 Å²	111.6	86%	0.855	65%	0.647	S	S	*	*			trans	-69.1	84.2	165.1	-176.1	0	0	0	0	106.4	I505 S509	I505-V507 PolarHBondContact O-N 2.91Å; V507-S509 PolarHBondContact O-N 3.2Å
508	G	29.9	Very low	43.5	Very low	65 Å²	65	120.4 Å²	120.4	67%	0.67	68%	0.675	S	S	*	*			trans	-76.1	104	171.9	0	0	0	0	0	108.5	H506 D510	H506-G508 PolarHBondContact O-N 2.99Å; G508-D510 PolarHBondContact O-N 3.14Å
509	S	27	Very low	41.4	Very low	101 Å²	101	125 Å²	125	71%	0.706	70%	0.696	S	S	*	*			trans	-46.7	133.2	168	50.8	0	0	0	0	111.3	V507 K511	V507-S509 PolarHBondContact O-N 3.2Å; S509-K511 PolarHBondContact O-N 3.19Å; S509-K511 VanDerWaalsContact O-N 3.09Å
510	D	27.8	Very low	39.2	Very low	163 Å²	163	129.9 Å²	129.9	87%	0.872	71%	0.709	S	S	*	*			trans	-39.6	114.9	168.3	-75.3	-46.6	0	0	0	110.8	G508	G508-D510 PolarHBondContact O-N 3.14Å
511	K	27.8	Very low	37.3	Very low	192 Å²	192	133 Å²	133	84%	0.835	73%	0.732	S	S	*	*			trans	-92.6	96.3	153.1	-78.4	-168.8	176	-176.4	0	106.3	S509 N513	S509-K511 PolarHBondContact O-N 3.19Å; S509-K511 VanDerWaalsContact O-N 3.09Å; K511-N513 PolarHBondContact O-N 2.9Å
512	S	29.3	Very low	36.2	Very low	89 Å²	89	145.5 Å²	145.5	62%	0.622	79%	0.789	S	S	*	*			trans	-43	121.3	156.4	40.4	0	0	0	0	109.2	E514	S512-E514 PolarHBondContact O-N 2.68Å
513	N	28.6	Very low	34.9	Very low	172 Å²	172	148.9 Å²	148.9	92%	0.92	80%	0.796	S	S	*	*			trans	-70.1	84.6	159.2	-86.9	-26.3	0	0	0	107.2	K511	K511-N513 PolarHBondContact O-N 2.9Å
514	E	28.1	Very low	33.7	Very low	164 Å²	164	149.6 Å²	149.6	77%	0.766	81%	0.805	S	S	*	*			trans	-79.9	120.5	158.2	-86.8	177.8	157.8	0	0	109.1	S512	S512-E514 PolarHBondContact O-N 2.68Å
515	E	29.2	Very low	32.9	Very low	177 Å²	177	151.4 Å²	151.4	83%	0.827	81%	0.807	S	S	*	*			trans	51.8	104.3	145	-64.1	-174.8	150.8	0	0	119.3
516	N	30.7	Very low	32.3	Very low	157 Å²	157	155.2 Å²	155.2	84%	0.84	83%	0.829	S	S	*	*			trans	-120.7	70.7	140.6	-101.9	-30.3	0	0	0	109.3
517	G	29.3	Very low	32.1	Very low	72 Å²	72	153.6 Å²	153.6	74%	0.742	83%	0.828	S	S	*	*			trans	-88.5	84.9	157.4	0	0	0	0	0	109.3
518	R	37.4	Very low	32	Very low	220 Å²	220	154.4 Å²	154.4	83%	0.83	83%	0.826	S	S	*	*			trans	-89.7	100.2	163.7	-90.2	-176	-179.3	159.7	2	108.8	H520	R518-H520 PolarHBondContact O-N 2.77Å
519	N	37.5	Very low	32.2	Very low	154 Å²	154	160.8 Å²	160.8	82%	0.824	84%	0.838	S	S	*	*			trans	-58.6	125	159.3	-78.2	-27.8	0	0	0	109.4
520	H	36.2	Very low	32.6	Very low	187 Å²	187	165.4 Å²	165.4	87%	0.866	85%	0.848	S	S	*	*			trans	-101.3	104.5	156.3	-95.6	-64.5	0	0	0	108	R518	R518-H520 PolarHBondContact O-N 2.77Å
521	T	37.1	Very low	33	Very low	132 Å²	132	165.6 Å²	165.6	81%	0.81	85%	0.846	S	S	*	*			trans	-144.6	101.2	155.2	37	0	0	0	0	106.7
522	E	44.5	Very low	33.4	Very low	271 Å²	271	163.2 Å²	163.2	100%	1.266	85%	0.847	S	S	*	*			trans	-149.3	0	146.9	-104.5	-174.5	174.5	0	0	107.9

Retrieved 522 of 522 residues in 149.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).