A0A096MTC5_PAPAN Loading...

Gamma-aminobutyric acid receptor subunit beta-1

AlphaFold DB , UniProt , Accession A0A096MTC5, Species PAPAN (Papio anubis, Olive baboon), Gene GABRB1, Length 474 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35	Very low	32.6	Very low	232 Å²	232	158.3 Å²	158.3	100%	1.143	82%	0.818	S	S	*	*				0	116.1	0	-76.5	155.6	159.8	0	0	106.3
2	W	30.5	Very low	33.1	Very low	243 Å²	243	158.1 Å²	158.1	92%	0.92	82%	0.818	S	S	*	*				99.4	146.7	52.7	-95.5	71.4	0	0	0	110.9
3	T	33.4	Very low	33.2	Very low	123 Å²	123	158.3 Å²	158.3	76%	0.755	82%	0.82	S	S	*	*			trans	58.3	123.6	-164.5	63	0	0	0	0	113.9
4	V	35.3	Very low	33.2	Very low	128 Å²	128	155.3 Å²	155.3	78%	0.776	82%	0.819	S	S	*	*			cis	66.5	106.8	10.8	-168.3	0	0	0	0	115.3
5	Q	32.2	Very low	33.4	Very low	186 Å²	186	156.3 Å²	156.3	87%	0.869	82%	0.815	S	S	*	*			trans	-151.1	166.4	138.7	-157.8	61.8	-0.1	0	0	108.2
6	N	32	Very low	34.2	Very low	137 Å²	137	153.9 Å²	153.9	73%	0.733	81%	0.811	S	S	*	*			trans	-123.4	152.5	-152	-145	-6.4	0	0	0	114.2
7	R	32	Very low	35.1	Very low	198 Å²	198	151 Å²	151	75%	0.747	80%	0.801	S	S	*	*			trans	43.3	119	143	-128.1	176.4	84.7	171.3	7.4	120
8	E	32	Very low	35.5	Very low	154 Å²	154	151.9 Å²	151.9	72%	0.72	80%	0.802	S	S	*	*				174.2	179.5	102.2	-92.3	-174	-174.5	0	0	113.9
9	S	33.5	Very low	36.1	Very low	95 Å²	95	152.8 Å²	152.8	66%	0.664	81%	0.806	S	S	*	*			trans	-108.3	-179.7	-149.6	58.1	0	0	0	0	116
10	L	32.9	Very low	36.5	Very low	168 Å²	168	151.5 Å²	151.5	88%	0.88	80%	0.804	S	S	*	*			trans	74.3	114	163	-79.8	146.9	0	0	0	118.1
11	G	29.5	Very low	36.8	Very low	77 Å²	77	153.2 Å²	153.2	79%	0.794	81%	0.81	S	S	*	*			trans	-178.5	114.6	168.3	0	0	0	0	0	110.3
12	L	38.7	Very low	37.3	Very low	156 Å²	156	148.3 Å²	148.3	82%	0.817	79%	0.793	S	S	*	*			trans	-84.9	168.3	178.7	-106.2	83.4	0	0	0	112
13	L	34.5	Very low	37.8	Very low	161 Å²	161	143 Å²	143	84%	0.843	79%	0.791	S	S	*	*			trans	73.4	104.5	161.8	-66.9	149	0	0	0	117.6
14	S	32.8	Very low	38	Very low	116 Å²	116	143.1 Å²	143.1	81%	0.811	80%	0.796	S	S	*	*			trans	-115.8	124.3	156.5	53.1	0	0	0	0	110.5
15	F	36.9	Very low	38.5	Very low	171 Å²	171	140.6 Å²	140.6	75%	0.75	79%	0.788	S	S	*	*			trans	-63.9	154.3	157	-89.7	-110.9	0	0	0	109.2	V17	F15-V17 HydrophobicContact CD1-CB 4.08Å; F15-V17 HydrophobicContact CD1-CG2 3.46Å; F15-V17 VanDerWaalsContact CD1-CG2 3.46Å; F15-V17 HydrophobicContact CE1-CG2 3.55Å
16	P	46.4	Very low	39.1	Very low	117 Å²	117	140.5 Å²	140.5	76%	0.76	79%	0.788	S	S	*	*				-138.3	150.8	50.2	41	-23.3	0	0	0	114.5
17	V	48.3	Very low	39.6	Very low	105 Å²	105	138.5 Å²	138.5	64%	0.636	78%	0.784	S	S	*	*				41.8	75.8	59.6	-176.6	0	0	0	0	114.1	F15	F15-V17 HydrophobicContact CD1-CB 4.08Å; F15-V17 HydrophobicContact CD1-CG2 3.46Å; F15-V17 VanDerWaalsContact CD1-CG2 3.46Å; F15-V17 HydrophobicContact CE1-CG2 3.55Å
18	M	43.8	Very low	40.3	Very low	168 Å²	168	133.7 Å²	133.7	83%	0.828	78%	0.777	S	S	*	*			trans	-174.4	11.7	146.1	-103.1	-58.2	-82.8	0	0	115.9
19	I	46.1	Very low	41.1	Very low	168 Å²	168	131.4 Å²	131.4	86%	0.862	77%	0.769	S	S	*	*	S	Bend	trans	-127.6	47.2	-177.5	-37.7	-178.7	0	0	0	112.9
20	T	44.3	Very low	42	Very low	127 Å²	127	132 Å²	132	78%	0.779	76%	0.762	S	S	*	*	S	Bend	trans	-141.7	26.4	178	42.6	0	0	0	0	114.2
21	M	43.1	Very low	43	Very low	187 Å²	187	126.7 Å²	126.7	92%	0.921	74%	0.738	S	S	*	*	S	Bend	trans	-130.5	24.3	-179.3	-121	-176.5	-171.9	0	0	115.7
22	V	45.7	Very low	44.3	Very low	129 Å²	129	127.2 Å²	127.2	78%	0.782	73%	0.729	S	S	*	*	S	Bend	trans	-118.6	-24.3	175.6	-177	0	0	0	0	112.8	C24	V22-C24 PolarHBondContact O-N 2.86Å
23	C	40.2	Very low	46.2	Very low	131 Å²	131	123.1 Å²	123.1	89%	0.885	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.3	14.4	-172.6	-57.3	0	0	0	0	115.5
24	C	38.5	Very low	48.5	Very low	126 Å²	126	122.8 Å²	122.8	85%	0.851	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.6	13.8	178.3	-64.5	0	0	0	0	113.7	V22	V22-C24 PolarHBondContact O-N 2.86Å
25	A	44.9	Very low	51.1	Low	75 Å²	75	120.6 Å²	120.6	62%	0.62	69%	0.689	S	S	*	*	S	Bend	trans	-136.7	78.2	177.9	0	0	0	0	0	111
26	H	44.1	Very low	53.6	Low	185 Å²	185	114.9 Å²	114.9	86%	0.856	66%	0.662	S	S	*	*	S	Bend	trans	162.4	84.3	144.1	-92	75.3	0	0	0	111.4
27	S	43.4	Very low	55.7	Low	94 Å²	94	111 Å²	111	66%	0.657	64%	0.636	S	S	*	*			trans	-156.3	55.7	147.5	-159.7	0	0	0	0	110.4	N29	S27-N29 VanDerWaalsContact C-N 3.35Å
28	T	46	Very low	57.8	Low	97 Å²	97	112.1 Å²	112.1	60%	0.595	63%	0.633	S	S	*	*			trans	-83.9	-12.8	176.1	49	0	0	0	0	113.1
29	N	49.7	Very low	60.1	Low	106 Å²	106	109.8 Å²	109.8	57%	0.567	62%	0.62	S	S	*	*			trans	-108.4	35.9	-167.2	-60.8	7.7	0	0	0	112.1	S27 P31	S27-N29 VanDerWaalsContact C-N 3.35Å; N29-P31 WeakPolarHBondContact O-CD 3.31Å
30	E	52.6	Low	62.4	Low	107 Å²	107	101.9 Å²	101.9	50%	0.5	58%	0.579	S	S	.	*			trans	-79	119.5	168.3	-113.6	-166.8	-128.7	0	0	109.6	S32 N33	E30-S32 PolarHBondContact O-N 3.43Å; E30-S32 VanDerWaalsContact O-N 3.08Å; E30-S32 WeakPolarHBondContact OE2-CB 3.06Å; E30-S32 PolarHBondContact OE2-OG 3.48Å; E30-N33 WeakPolarHBondContact O-CB 3.33Å; E30-N33 PolarHBondContact O-N 3.16Å
31	P	54.2	Low	64.7	Low	58 Å²	58	97 Å²	97	38%	0.377	55%	0.55	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-8.3	-179.8	29.7	-35.6	0	0	0	113.1	N29 N33 P103 L104	N29-P31 WeakPolarHBondContact O-CD 3.31Å; P31-N33 VanDerWaalsContact C-N 3.25Å; P31-P103 HydrophobicContact CB-CG 4.47Å; P31-L104 HydrophobicContact CB-CD1 4.38Å
32	S	56.5	Low	67.1	Low	87 Å²	87	92 Å²	92	61%	0.608	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-21.3	168.2	-6.8	0	0	0	0	113.4	E30 M34	E30-S32 PolarHBondContact O-N 3.43Å; E30-S32 VanDerWaalsContact O-N 3.08Å; E30-S32 WeakPolarHBondContact OE2-CB 3.06Å; E30-S32 PolarHBondContact OE2-OG 3.48Å; S32-M34 PolarHBondContact O-N 3.02Å
33	N	77.8	Confident	69.4	Low	71 Å²	71	91.8 Å²	91.8	38%	0.38	51%	0.512	S	S	.	.			trans	-82	103.4	-168.3	-170.2	2.1	0	0	0	113.1	E30 P31 S35 Y36 V37	E30-N33 WeakPolarHBondContact O-CB 3.33Å; E30-N33 PolarHBondContact O-N 3.16Å; P31-N33 VanDerWaalsContact C-N 3.25Å; N33-S35 VanDerWaalsContact C-N 3.25Å; N33-S35 PolarHBondContact ND2-OG 3.28Å; N33-S35 PolarHBondContact O-N 3.01Å; N33-S35 PolarHBondContact OD1-N 3.19Å; N33-S35 PolarHBondContact OD1-OG 3.44Å; N33-S35 VanDerWaalsContact OD1-OG 3.05Å; N33-Y36 PolarHBondContact O-N 3.42Å; N33-Y36 VanDerWaalsContact O-N 3.11Å; N33-V37 PolarHBondContact O-N 3.34Å
34	M	83.3	Confident	72	Confident	154 Å²	154	86.6 Å²	86.6	76%	0.759	48%	0.475	S	S	*	.	H	α-helix	trans	-53.9	-34.7	-179.6	-175	62.1	68.7	0	0	114.1	S32 K38	S32-M34 PolarHBondContact O-N 3.02Å; M34-K38 PolarHBondContact O-N 3.38Å; M34-K38 VanDerWaalsContact O-N 3.11Å
35	S	87.9	Confident	74.6	Confident	70 Å²	70	82.7 Å²	82.7	49%	0.49	45%	0.445	S	S	.	.	H	α-helix	trans	-68.5	-38.3	179.8	64.2	0	0	0	0	112.2	N33 K38 E39	N33-S35 VanDerWaalsContact C-N 3.25Å; N33-S35 PolarHBondContact ND2-OG 3.28Å; N33-S35 PolarHBondContact O-N 3.01Å; N33-S35 PolarHBondContact OD1-N 3.19Å; N33-S35 PolarHBondContact OD1-OG 3.44Å; N33-S35 VanDerWaalsContact OD1-OG 3.05Å; S35-K38 PolarHBondContact O-N 3.4Å; S35-E39 WeakPolarHBondContact O-CB 3.26Å; S35-E39 PolarHBondContact O-N 3.16Å
36	Y	89.5	Confident	77	Confident	50 Å²	50	88 Å²	88	20%	0.196	45%	0.454	C	S	.	.	H	α-helix	trans	-67.6	-38	179.3	-174.9	-109.4	0	0	0	112.3	N33 T40 I102	N33-Y36 PolarHBondContact O-N 3.42Å; N33-Y36 VanDerWaalsContact O-N 3.11Å; Y36-T40 VanDerWaalsContact O-CB 3.28Å; Y36-T40 WeakPolarHBondContact O-CB 3.36Å; Y36-T40 PolarHBondContact O-N 3.4Å; Y36-T40 PolarHBondContact O-OG1 2.73Å; Y36-I102 HydrophobicContact CD1-CD1 4.27Å; Y36-I102 HydrophobicContact CD1-CG1 4.02Å; Y36-I102 HydrophobicContact CE1-CD1 4.26Å; Y36-I102 HydrophobicContact CE1-CG1 3.71Å
37	V	89.8	Confident	79.4	Confident	35 Å²	35	83 Å²	83	21%	0.212	45%	0.454	C	S	.	.	H	α-helix	trans	-64.1	-46.1	172.8	-177.4	0	0	0	0	110.4	N33 T40 V41 I102 L106	N33-V37 PolarHBondContact O-N 3.34Å; V37-T40 PolarHBondContact O-N 3.22Å; V37-V41 WeakPolarHBondContact O-CG2 3.47Å; V37-V41 PolarHBondContact O-N 3.03Å; V37-I102 HydrophobicContact CG2-CD1 4.24Å; V37-L106 HydrophobicContact CG1-CD2 3.87Å
38	K	92.3	Very high	82	Confident	129 Å²	129	80.1 Å²	80.1	56%	0.561	43%	0.429	S	S	*	.	H	α-helix	trans	-60.5	-51.8	177.4	-174.2	-172.1	179.7	-64	0	111.9	M34 S35 T40 V41 D42	M34-K38 PolarHBondContact O-N 3.38Å; M34-K38 VanDerWaalsContact O-N 3.11Å; S35-K38 PolarHBondContact O-N 3.4Å; K38-T40 VanDerWaalsContact C-N 3.26Å; K38-T40 PolarHBondContact O-N 3.39Å; K38-V41 PolarHBondContact O-N 3.01Å; K38-D42 IonicContact NZ-OD1 3.75Å; K38-D42 IonicContact NZ-OD2 2.6Å; K38-D42 PolarHBondContact NZ-OD2 2.98Å; K38-D42 WeakPolarHBondContact O-CB 3.21Å; K38-D42 VanDerWaalsContact O-CG 3.31Å; K38-D42 PolarHBondContact O-N 2.73Å
39	E	93	Very high	84.3	Confident	120 Å²	120	77.6 Å²	77.6	56%	0.561	41%	0.411	S	S	*	.	H	α-helix	trans	-60.4	-37.4	179.6	-172.3	-176.1	163.4	0	0	111.6	S35 R43	S35-E39 WeakPolarHBondContact O-CB 3.26Å; S35-E39 PolarHBondContact O-N 3.16Å; E39-R43 WeakPolarHBondContact O-CB 3.49Å; E39-R43 PolarHBondContact O-N 3.38Å
40	T	92.6	Very high	86.5	Confident	1 Å²	1	76.2 Å²	76.2	1%	0.006	40%	0.403	C	S	.	.	H	α-helix	trans	-62.4	-47.7	174.7	-64	0	0	0	0	111.4	Y36 V37 K38 R43 L44 Y99 I102	Y36-T40 VanDerWaalsContact O-CB 3.28Å; Y36-T40 WeakPolarHBondContact O-CB 3.36Å; Y36-T40 PolarHBondContact O-N 3.4Å; Y36-T40 PolarHBondContact O-OG1 2.73Å; V37-T40 PolarHBondContact O-N 3.22Å; K38-T40 VanDerWaalsContact C-N 3.26Å; K38-T40 PolarHBondContact O-N 3.39Å; T40-R43 PolarHBondContact O-N 3.26Å; T40-L44 WeakPolarHBondContact O-CG 3.43Å; T40-L44 PolarHBondContact O-N 3.1Å; T40-Y99 HydrophobicContact CG2-CG 4.49Å; T40-I102 HydrophobicContact CG2-CD1 4.07Å
41	V	92.9	Very high	88.6	Confident	26 Å²	26	80.2 Å²	80.2	16%	0.158	41%	0.414	C	S	.	.	H	α-helix	trans	-66.8	-43.8	178.2	175	0	0	0	0	111.8	V37 K38 R43 L44 L45 L106 L108	V37-V41 WeakPolarHBondContact O-CG2 3.47Å; V37-V41 PolarHBondContact O-N 3.03Å; K38-V41 PolarHBondContact O-N 3.01Å; V41-R43 PolarHBondContact O-N 2.99Å; V41-L44 PolarHBondContact O-N 3.24Å; V41-L44 VanDerWaalsContact O-N 3.14Å; V41-L45 HydrophobicContact CG1-CD1 4.08Å; V41-L45 PolarHBondContact O-N 3.5Å; V41-L45 VanDerWaalsContact O-N 3.14Å; V41-L106 HydrophobicContact CG2-CD1 4.28Å; V41-L108 HydrophobicContact CG2-CD2 4.14Å
42	D	94.1	Very high	90.6	Very high	82 Å²	82	80.7 Å²	80.7	44%	0.439	41%	0.412	S	S	.	.	H	α-helix	trans	-57.9	-37.6	175.1	-70	-23.1	0	0	0	111.1	K38 K46	K38-D42 IonicContact NZ-OD1 3.75Å; K38-D42 IonicContact NZ-OD2 2.6Å; K38-D42 PolarHBondContact NZ-OD2 2.98Å; K38-D42 WeakPolarHBondContact O-CB 3.21Å; K38-D42 VanDerWaalsContact O-CG 3.31Å; K38-D42 PolarHBondContact O-N 2.73Å; D42-K46 WeakPolarHBondContact O-CB 3.49Å; D42-K46 PolarHBondContact O-N 3.15Å; D42-K46 VanDerWaalsContact O-N 3.14Å
43	R	93.7	Very high	92.5	Very high	124 Å²	124	76.9 Å²	76.9	47%	0.468	39%	0.385	S	S	.	.	H	α-helix	trans	-69.8	-37.3	176	-177.6	178.8	65.6	-149.7	-5.3	113.2	E39 T40 V41	E39-R43 WeakPolarHBondContact O-CB 3.49Å; E39-R43 PolarHBondContact O-N 3.38Å; T40-R43 PolarHBondContact O-N 3.26Å; V41-R43 PolarHBondContact O-N 2.99Å
44	L	94.2	Very high	93.4	Very high	21 Å²	21	73.5 Å²	73.5	11%	0.11	37%	0.367	C	S	.	.	H	α-helix	trans	-67	-36.1	177	-67.9	-179.9	0	0	0	112.4	T40 V41 L97 S98 Y99 L143	T40-L44 WeakPolarHBondContact O-CG 3.43Å; T40-L44 PolarHBondContact O-N 3.1Å; V41-L44 PolarHBondContact O-N 3.24Å; V41-L44 VanDerWaalsContact O-N 3.14Å; L44-L97 HydrophobicContact CB-CD2 4.46Å; L44-S98 WeakPolarHBondContact CD2-O 3.25Å; L44-Y99 HydrophobicContact CD1-CD1 4.19Å; L44-L143 HydrophobicContact CD1-CD1 4.2Å
45	L	94.8	Very high	93.9	Very high	45 Å²	45	69.1 Å²	69.1	24%	0.236	35%	0.346	C	S	.	.	H	α-helix	trans	-82.8	-20.5	-179.7	-62.8	173.6	0	0	0	112.9	V41 G47 Y48 V112 L116	V41-L45 HydrophobicContact CG1-CD1 4.08Å; V41-L45 PolarHBondContact O-N 3.5Å; V41-L45 VanDerWaalsContact O-N 3.14Å; L45-G47 PolarHBondContact O-N 3.12Å; L45-Y48 PolarHBondContact O-N 2.87Å; L45-Y48 VanDerWaalsContact O-N 3.16Å; L45-V112 HydrophobicContact CD1-CG2 4.21Å; L45-V112 HydrophobicContact CD2-CG2 4.31Å; L45-L116 HydrophobicContact CD2-CD2 3.75Å
46	K	95.4	Very high	94.3	Very high	185 Å²	185	72.4 Å²	72.4	80%	0.804	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	97.5	-177.8	-174.7	-178.9	-180	-178.8	0	112.1	D42	D42-K46 WeakPolarHBondContact O-CB 3.49Å; D42-K46 PolarHBondContact O-N 3.15Å; D42-K46 VanDerWaalsContact O-N 3.14Å
47	G	93.9	Very high	94.5	Very high	82 Å²	82	73.8 Å²	73.8	85%	0.845	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.6	12.2	-179.2	0	0	0	0	0	113.9	L45	L45-G47 PolarHBondContact O-N 3.12Å
48	Y	96.8	Very high	94.7	Very high	33 Å²	33	74 Å²	74	13%	0.129	39%	0.391	C	S	.	.			trans	-70.7	125.5	171.5	-172.7	-87.1	0	0	0	110.5	L45 D94 R96 L97 L116 W117	L45-Y48 PolarHBondContact O-N 2.87Å; L45-Y48 VanDerWaalsContact O-N 3.16Å; Y48-D94 WeakPolarHBondContact CE2-OD2 3.29Å; Y48-D94 PolarHBondContact OH-OD2 3.28Å; Y48-R96 HydrophobicContact CD2-CB 4.03Å; Y48-R96 HydrophobicContact CE2-CB 3.91Å; Y48-R96 PolarHBondContact OH-NH2 3.41Å; Y48-L97 HydrophobicContact CD2-CD2 3.84Å; Y48-L97 HydrophobicContact CE2-CD1 4.26Å; Y48-L97 HydrophobicContact CE2-CD2 3.63Å; Y48-L97 HydrophobicContact CE2-CG 3.88Å; Y48-L116 HydrophobicContact CD1-CD2 4.38Å; Y48-L116 HydrophobicContact CE1-CD2 4.07Å; Y48-L116 HydrophobicContact CE2-CD2 4.47Å; Y48-W117 WeakPolarHBondContact OH-CB 3.39Å; Y48-W117 PolarHBondContact OH-N 2.84Å
49	D	95.9	Very high	94.9	Very high	44 Å²	44	71.7 Å²	71.7	24%	0.235	39%	0.389	C	S	.	.			trans	-101.1	105.6	175.1	-165.2	-16.8	0	0	0	111	R51 L52 R96	D49-R51 PolarHBondContact O-N 2.91Å; D49-R51 VanDerWaalsContact O-N 3.16Å; D49-R51 VanDerWaalsContact OD1-CB 3.27Å; D49-R51 WeakPolarHBondContact OD1-CB 3.24Å; D49-R51 WeakPolarHBondContact OD1-CG 3.5Å; D49-R51 IonicContact OD1-CZ 3.85Å; D49-R51 PolarHBondContact OD1-N 3.02Å; D49-R51 IonicContact OD1-NE 2.64Å; D49-R51 PolarHBondContact OD1-NE 3.47Å; D49-R51 IonicContact OD1-NH2 3.04Å; D49-R51 IonicContact OD2-CZ 3.3Å; D49-R51 IonicContact OD2-NE 2.7Å; D49-R51 PolarHBondContact OD2-NE 2.86Å; D49-R51 IonicContact OD2-NH2 3.71Å; D49-R51 PolarHBondContact OD2-NH2 2.79Å; D49-L52 HydrophobicContact CB-CD1 4.38Å; D49-L52 PolarHBondContact O-N 3.22Å; D49-R96 PolarHBondContact O-NH1 2.97Å
50	I	96	Very high	95.1	Very high	76 Å²	76	68 Å²	68	39%	0.39	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-23	175.9	-173	166.7	0	0	0	113.6	L52 L116	I50-L52 VanDerWaalsContact C-N 3.3Å; I50-L52 PolarHBondContact O-N 3.37Å; I50-L116 WeakPolarHBondContact CD1-O 3.38Å
51	R	95.1	Very high	95.4	Very high	192 Å²	192	68.4 Å²	68.4	73%	0.725	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-12.7	-176	-56.4	170.7	-64.9	173	5.7	113.4	D49	D49-R51 PolarHBondContact O-N 2.91Å; D49-R51 VanDerWaalsContact O-N 3.16Å; D49-R51 VanDerWaalsContact OD1-CB 3.27Å; D49-R51 WeakPolarHBondContact OD1-CB 3.24Å; D49-R51 WeakPolarHBondContact OD1-CG 3.5Å; D49-R51 IonicContact OD1-CZ 3.85Å; D49-R51 PolarHBondContact OD1-N 3.02Å; D49-R51 IonicContact OD1-NE 2.64Å; D49-R51 PolarHBondContact OD1-NE 3.47Å; D49-R51 IonicContact OD1-NH2 3.04Å; D49-R51 IonicContact OD2-CZ 3.3Å; D49-R51 IonicContact OD2-NE 2.7Å; D49-R51 PolarHBondContact OD2-NE 2.86Å; D49-R51 IonicContact OD2-NH2 3.71Å; D49-R51 PolarHBondContact OD2-NH2 2.79Å
52	L	96.3	Very high	95.6	Very high	67 Å²	67	71.6 Å²	71.6	35%	0.351	39%	0.394	S	S	.	.	S	Bend	trans	-110	126.8	-176.4	-61.2	177.7	0	0	0	110.6	D49 I50 F56 R96	D49-L52 HydrophobicContact CB-CD1 4.38Å; D49-L52 PolarHBondContact O-N 3.22Å; I50-L52 VanDerWaalsContact C-N 3.3Å; I50-L52 PolarHBondContact O-N 3.37Å; L52-F56 HydrophobicContact CD2-CD1 4.15Å; L52-F56 HydrophobicContact CD2-CD2 4.34Å; L52-F56 HydrophobicContact CD2-CE1 4.27Å; L52-F56 HydrophobicContact CD2-CE2 4.46Å; L52-F56 HydrophobicContact CD2-CG 4.19Å; L52-F56 HydrophobicContact CD2-CZ 4.42Å; L52-R96 PolarHBondContact O-NH1 3.17Å; L52-R96 PolarHBondContact O-NH2 3.16Å
53	R	96.7	Very high	95.8	Very high	7 Å²	7	67.7 Å²	67.7	3%	0.026	37%	0.373	C	S	.	.			trans	-61	156.8	170.9	68.7	164.9	-178.3	96	-18.4	111.6	D55 F56 G58 P59 W117 Y184 D188	R53-D55 PolarHBondContact NH1-O 2.73Å; R53-D55 VanDerWaalsContact NH1-O 3.13Å; R53-F56 HydrophobicContact CG-CB 4.25Å; R53-F56 HydrophobicContact CG-CD2 4.25Å; R53-F56 PolarHBondContact O-N 3.21Å; R53-G58 PolarHBondContact NH2-O 3.08Å; R53-P59 PolarHBondContact NH1-O 3.21Å; R53-P59 PolarHBondContact NH2-O 2.9Å; R53-W117 HydrophobicContact CB-CZ2 3.75Å; R53-Y184 HydrophobicContact CB-CE1 4.25Å; R53-Y184 HydrophobicContact CG-CE1 4.45Å; R53-D188 WeakPolarHBondContact CD-O 3.28Å; R53-D188 IonicContact CZ-OD1 2.88Å; R53-D188 IonicContact NE-OD1 3.74Å; R53-D188 PolarHBondContact NE-OD1 3.49Å; R53-D188 IonicContact NH2-OD1 3.32Å; R53-D188 PolarHBondContact NH2-OD1 3.45Å
54	P	96.7	Very high	95.9	Very high	1 Å²	1	61.8 Å²	61.8	1%	0.006	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53	143	166.2	-25.1	35.7	0	0	0	111.3	F56 V61 D94 W117	P54-F56 PolarHBondContact O-N 3.27Å; P54-F56 VanDerWaalsContact O-N 3.16Å; P54-V61 HydrophobicContact CB-CB 4.47Å; P54-V61 HydrophobicContact CB-CG2 4.01Å; P54-V61 HydrophobicContact CG-CG2 4.07Å; P54-D94 HydrophobicContact CB-CB 4.34Å; P54-D94 HydrophobicContact CG-CB 3.89Å; P54-W117 HydrophobicContact CG-CE3 4.08Å; P54-W117 HydrophobicContact CG-CZ3 4.2Å
55	D	95.1	Very high	96.1	Very high	61 Å²	61	60.8 Å²	60.8	33%	0.326	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	35.5	-179.2	-66.9	-36.7	0	0	0	115	R53 G57 G58 K95	R53-D55 PolarHBondContact NH1-O 2.73Å; R53-D55 VanDerWaalsContact NH1-O 3.13Å; D55-G57 PolarHBondContact O-N 2.67Å; D55-G58 CarbonylContact O-C 3.53Å; D55-G58 WeakPolarHBondContact O-CA 3.44Å; D55-G58 PolarHBondContact O-N 3.08Å; D55-K95 WeakPolarHBondContact OD1-CE 3.22Å; D55-K95 IonicContact OD1-NZ 2.76Å; D55-K95 PolarHBondContact OD1-NZ 3.07Å; D55-K95 WeakPolarHBondContact OD2-CE 3.21Å; D55-K95 IonicContact OD2-NZ 3.1Å; D55-K95 PolarHBondContact OD2-NZ 3.48Å
56	F	94.9	Very high	96.2	Very high	139 Å²	139	63.2 Å²	63.2	61%	0.61	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	125	173.9	-178.2	-99.6	0	0	0	112.1	L52 R53 P54 G58	L52-F56 HydrophobicContact CD2-CD1 4.15Å; L52-F56 HydrophobicContact CD2-CD2 4.34Å; L52-F56 HydrophobicContact CD2-CE1 4.27Å; L52-F56 HydrophobicContact CD2-CE2 4.46Å; L52-F56 HydrophobicContact CD2-CG 4.19Å; L52-F56 HydrophobicContact CD2-CZ 4.42Å; R53-F56 HydrophobicContact CG-CB 4.25Å; R53-F56 HydrophobicContact CG-CD2 4.25Å; R53-F56 PolarHBondContact O-N 3.21Å; P54-F56 PolarHBondContact O-N 3.27Å; P54-F56 VanDerWaalsContact O-N 3.16Å; F56-G58 VanDerWaalsContact C-N 3.33Å
57	G	93.4	Very high	96.3	Very high	79 Å²	79	54.4 Å²	54.4	81%	0.814	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.6	1.3	-171.9	0	0	0	0	0	114.9	D55	D55-G57 PolarHBondContact O-N 2.67Å
58	G	95.1	Very high	96.4	Very high	40 Å²	40	53.2 Å²	53.2	41%	0.412	29%	0.288	S	S	.	.	S	Bend	trans	-119.4	-151.9	171.7	0	0	0	0	0	112	R53 D55 F56	R53-G58 PolarHBondContact NH2-O 3.08Å; D55-G58 CarbonylContact O-C 3.53Å; D55-G58 WeakPolarHBondContact O-CA 3.44Å; D55-G58 PolarHBondContact O-N 3.08Å; F56-G58 VanDerWaalsContact C-N 3.33Å
59	P	96.9	Very high	96.4	Very high	81 Å²	81	51.9 Å²	51.9	53%	0.526	28%	0.283	S	S	.	.	S	Bend	trans	-61.3	162.9	-176.7	28.4	-36.5	0	0	0	112.7	R53	R53-P59 PolarHBondContact NH1-O 3.21Å; R53-P59 PolarHBondContact NH2-O 2.9Å
60	P	97.4	Very high	96.4	Very high	42 Å²	42	52.1 Å²	52.1	27%	0.273	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-58.7	154.7	169.7	25.9	-35.1	0	0	0	111.3	D188 E190	P60-D188 WeakPolarHBondContact CA-O 3.46Å; P60-E190 HydrophobicContact CB-CG 4.11Å; P60-E190 HydrophobicContact CG-CG 4.02Å
61	V	97.6	Very high	96.3	Very high	9 Å²	9	50.1 Å²	50.1	6%	0.055	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	120.9	173.4	65.6	0	0	0	0	110.9	P54 V63 W92 W117 D188 I189 E190	P54-V61 HydrophobicContact CB-CB 4.47Å; P54-V61 HydrophobicContact CB-CG2 4.01Å; P54-V61 HydrophobicContact CG-CG2 4.07Å; V61-V63 HydrophobicContact CG1-CG2 4.37Å; V61-V63 PolarHBondContact O-N 3.35Å; V61-W92 HydrophobicContact CG2-CB 4.14Å; V61-W117 HydrophobicContact CG1-CH2 3.72Å; V61-W117 HydrophobicContact CG1-CZ2 4.38Å; V61-W117 HydrophobicContact CG1-CZ3 4.42Å; V61-D188 PolarHBondContact N-O 2.97Å; V61-I189 HydrophobicContact CG1-CB 4.34Å; V61-I189 HydrophobicContact CG1-CD1 4.24Å; V61-I189 HydrophobicContact CG1-CG1 3.85Å; V61-E190 PolarHBondContact O-N 3.08Å
62	D	97.1	Very high	96.3	Very high	93 Å²	93	41.4 Å²	41.4	50%	0.497	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	119.9	174.5	-64.1	-49.3	0	0	0	110.7	W92 Y192	D62-W92 WeakPolarHBondContact O-CA 3.11Å; D62-W92 WeakPolarHBondContact O-CB 3.33Å; D62-Y192 HydrophobicContact CB-CE1 4.05Å
63	V	98.1	Very high	96.1	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	104.7	175.7	-172.4	0	0	0	0	110.6	V61 Q90 S91 W92 P119 I189 E190 F191 Y192	V61-V63 HydrophobicContact CG1-CG2 4.37Å; V61-V63 PolarHBondContact O-N 3.35Å; V63-Q90 HydrophobicContact CG1-CB 4.2Å; V63-Q90 HydrophobicContact CG1-CG 4.43Å; V63-S91 WeakPolarHBondContact CA-O 3.34Å; V63-W92 HydrophobicContact CG2-CB 4.07Å; V63-P119 HydrophobicContact CG1-CG 3.94Å; V63-P119 HydrophobicContact CG2-CG 3.97Å; V63-I189 HydrophobicContact CG2-CD1 3.87Å; V63-I189 HydrophobicContact CG2-CG1 3.82Å; V63-E190 PolarHBondContact N-O 2.98Å; V63-F191 HydrophobicContact CB-CD1 3.95Å; V63-F191 HydrophobicContact CB-CE1 4.11Å; V63-F191 HydrophobicContact CG2-CE1 4.4Å; V63-Y192 PolarHBondContact O-N 3.12Å
64	G	97.4	Very high	95.9	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.01	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	115.8	176.4	0	0	0	0	0	111.6	S91 Y192	G64-S91 PolarHBondContact N-O 3Å; G64-S91 PolarHBondContact O-N 3.37Å; G64-Y192 WeakPolarHBondContact CA-O 3.34Å
65	M	97.4	Very high	95.8	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	144.2	178.6	-58.4	-162.7	-167.8	0	0	112.4	F88 Q89 T121 I179 F191 Y192 N194 L233	M65-F88 HydrophobicContact SD-CE2 3.75Å; M65-F88 HydrophobicContact SD-CZ 3.73Å; M65-Q89 WeakPolarHBondContact CA-O 3.24Å; M65-T121 HydrophobicContact CE-CG2 3.52Å; M65-I179 HydrophobicContact CE-CG2 4.21Å; M65-I179 HydrophobicContact SD-CG2 3.83Å; M65-F191 HydrophobicContact CE-CB 4.39Å; M65-F191 HydrophobicContact CE-CD1 3.66Å; M65-F191 HydrophobicContact CE-CD2 3.5Å; M65-F191 HydrophobicContact CE-CE1 3.62Å; M65-F191 HydrophobicContact CE-CE2 3.45Å; M65-F191 VanDerWaalsContact CE-CE2 3.45Å; M65-F191 HydrophobicContact CE-CG 3.61Å; M65-F191 HydrophobicContact CE-CZ 3.53Å; M65-Y192 PolarHBondContact N-O 3.47Å; M65-N194 WeakPolarHBondContact O-CB 3.39Å; M65-N194 PolarHBondContact O-N 3Å; M65-L233 HydrophobicContact CB-CD1 3.86Å; M65-L233 HydrophobicContact CG-CD1 3.9Å; M65-L233 HydrophobicContact SD-CD1 3.85Å
66	R	97.1	Very high	95.8	Very high	96 Å²	96	45.1 Å²	45.1	36%	0.362	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	142.1	173.5	-176.2	-178.2	-173.6	131.5	12.9	109.8	Q89 G198 A199	R66-Q89 HydrophobicContact CB-CB 4.22Å; R66-Q89 PolarHBondContact N-O 2.88Å; R66-Q89 PolarHBondContact O-N 3.33Å; R66-G198 PolarHBondContact NH2-O 2.99Å; R66-A199 WeakPolarHBondContact CA-O 3.35Å; R66-A199 VanDerWaalsContact CG-O 3.31Å; R66-A199 WeakPolarHBondContact CG-O 3.25Å
67	I	97.3	Very high	95.6	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	131.9	179.7	-60	175.7	0	0	0	109.2	V69 M86 Y87 F88 L177 I179 W193 A199 V200 T201 L235	I67-V69 HydrophobicContact CG2-CG2 3.86Å; I67-M86 HydrophobicContact CD1-SD 4.32Å; I67-M86 HydrophobicContact CG2-CB 4.03Å; I67-M86 HydrophobicContact CG2-CG 4.49Å; I67-M86 HydrophobicContact CG2-SD 3.78Å; I67-Y87 WeakPolarHBondContact CA-O 3.48Å; I67-F88 HydrophobicContact CG1-CD2 4.09Å; I67-L177 HydrophobicContact CD1-CD2 4.39Å; I67-I179 HydrophobicContact CD1-CD1 3.93Å; I67-W193 HydrophobicContact CD1-CH2 3.83Å; I67-W193 HydrophobicContact CD1-CZ3 3.81Å; I67-W193 HydrophobicContact CG1-CZ3 4.15Å; I67-A199 PolarHBondContact N-O 3.45Å; I67-V200 HydrophobicContact CB-CG2 4.24Å; I67-V200 CarbonylContact O-C 3.55Å; I67-V200 VanDerWaalsContact O-CA 3.31Å; I67-V200 WeakPolarHBondContact O-CA 3.45Å; I67-T201 PolarHBondContact O-N 3.49Å; I67-L235 HydrophobicContact CD1-CD2 3.99Å
68	D	96.4	Very high	95.5	Very high	57 Å²	57	39.8 Å²	39.8	31%	0.305	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	111	162.6	-169.7	47.6	0	0	0	108.5	A70 M86 Y87 T201 G202	D68-A70 PolarHBondContact O-N 2.9Å; D68-M86 WeakPolarHBondContact O-CA 3.5Å; D68-Y87 HydrophobicContact CB-CD2 4.39Å; D68-Y87 PolarHBondContact N-O 3.43Å; D68-Y87 PolarHBondContact O-N 2.99Å; D68-T201 WeakPolarHBondContact CB-OG1 3.39Å; D68-T201 VanDerWaalsContact OD1-CB 3.24Å; D68-T201 WeakPolarHBondContact OD1-CB 3.31Å; D68-T201 PolarHBondContact OD1-OG1 2.91Å; D68-G202 PolarHBondContact OD1-N 3.35Å
69	V	96.6	Very high	95.4	Very high	4 Å²	4	42.3 Å²	42.3	2%	0.024	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	121.3	-177.5	-174.9	0	0	0	0	109.2	I67 L84 T201 G202 V203 I206 F237	I67-V69 HydrophobicContact CG2-CG2 3.86Å; V69-L84 HydrophobicContact CG1-CD1 3.5Å; V69-L84 VanDerWaalsContact CG1-CD1 3.5Å; V69-L84 HydrophobicContact CG2-CD1 4.38Å; V69-T201 PolarHBondContact N-O 3.46Å; V69-G202 WeakPolarHBondContact O-CA 3.24Å; V69-V203 HydrophobicContact CG2-CG2 4.34Å; V69-I206 HydrophobicContact CB-CD1 3.98Å; V69-I206 HydrophobicContact CG1-CD1 3.4Å; V69-I206 HydrophobicContact CG1-CG1 4.44Å; V69-F237 HydrophobicContact CG2-CZ 4.36Å
70	A	95.1	Very high	95.3	Very high	49 Å²	49	40.3 Å²	40.3	41%	0.405	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	-42.3	178.6	0	0	0	0	0	111.6	D68 T85 Y87	D68-A70 PolarHBondContact O-N 2.9Å; A70-T85 HydrophobicContact CB-CG2 4.34Å; A70-T85 WeakPolarHBondContact CB-O 3.43Å; A70-T85 PolarHBondContact N-O 3.38Å; A70-Y87 HydrophobicContact CB-CE2 4.11Å
71	S	94.8	Very high	95.3	Very high	34 Å²	34	39 Å²	39	24%	0.238	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	154.9	177.9	49.9	0	0	0	0	111.9	D73 T85	S71-D73 VanDerWaalsContact CB-OD1 3.27Å; S71-D73 WeakPolarHBondContact CB-OD1 3.35Å; S71-D73 PolarHBondContact OG-OD1 2.92Å; S71-T85 PolarHBondContact N-O 3.16Å; S71-T85 VanDerWaalsContact N-O 3.12Å; S71-T85 PolarHBondContact O-N 2.93Å
72	I	95.4	Very high	95.3	Very high	10 Å²	10	38.5 Å²	38.5	5%	0.051	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	114.2	155.3	-64.6	170	0	0	0	104.8	V75 T83 L84 I206 L208 I213	I72-V75 HydrophobicContact CG2-CG2 4.16Å; I72-T83 CarbonylContact C-O 3.58Å; I72-T83 WeakPolarHBondContact CA-O 3.48Å; I72-L84 HydrophobicContact CD1-CD1 4.5Å; I72-L84 HydrophobicContact CG1-CD1 3.71Å; I72-I206 HydrophobicContact CB-CG2 4.23Å; I72-I206 HydrophobicContact CD1-CD1 4.31Å; I72-I206 HydrophobicContact CD1-CG2 4.47Å; I72-I206 HydrophobicContact CG1-CD1 4.29Å; I72-I206 HydrophobicContact CG1-CG2 4.37Å; I72-L208 HydrophobicContact CB-CD1 4.33Å; I72-L208 HydrophobicContact CB-CD2 4.1Å; I72-L208 HydrophobicContact CD1-CD1 4.38Å; I72-L208 HydrophobicContact CG2-CD1 4.25Å; I72-L208 HydrophobicContact CG2-CD2 3.99Å; I72-L208 WeakPolarHBondContact O-CD2 3.48Å; I72-I213 HydrophobicContact CD1-CD1 4.07Å
73	D	91.9	Very high	95.3	Very high	83 Å²	83	35 Å²	35	44%	0.444	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	-35.4	-164	-56.4	-49.7	0	0	0	111.9	S71 T83 T85	S71-D73 VanDerWaalsContact CB-OD1 3.27Å; S71-D73 WeakPolarHBondContact CB-OD1 3.35Å; S71-D73 PolarHBondContact OG-OD1 2.92Å; D73-T83 HydrophobicContact CB-CG2 4.14Å; D73-T83 PolarHBondContact N-O 3.37Å; D73-T85 WeakPolarHBondContact OD2-CB 3.41Å; D73-T85 PolarHBondContact OD2-OG1 3.04Å
74	M	92.1	Very high	95.2	Very high	100 Å²	100	35 Å²	35	49%	0.493	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	156.4	171.2	62.8	-175.4	-64.2	0	0	111.3	Y82 T83	M74-Y82 CarbonylContact O-C 3.47Å; M74-Y82 WeakPolarHBondContact O-CA 3.39Å; M74-T83 PolarHBondContact O-N 2.87Å
75	V	95	Very high	95.2	Very high	16 Å²	16	35.1 Å²	35.1	10%	0.097	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	136	167.7	-179.5	0	0	0	0	106.5	I72 M163 F211 L239	I72-V75 HydrophobicContact CG2-CG2 4.16Å; V75-M163 HydrophobicContact CG1-CE 3.62Å; V75-F211 HydrophobicContact CB-CD2 4.26Å; V75-F211 HydrophobicContact CB-CE2 3.75Å; V75-F211 HydrophobicContact CB-CZ 4.37Å; V75-F211 HydrophobicContact CG1-CE2 3.79Å; V75-F211 HydrophobicContact CG1-CZ 3.89Å; V75-F211 HydrophobicContact CG2-CD2 4.28Å; V75-F211 HydrophobicContact CG2-CE2 4.24Å; V75-L239 HydrophobicContact CG2-CD1 4.17Å
76	S	94.3	Very high	95.2	Very high	14 Å²	14	35.1 Å²	35.1	10%	0.098	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	109.1	-177.5	-170.8	0	0	0	0	111.7	V78 N79 M80 D81	S76-V78 VanDerWaalsContact C-N 3.26Å; S76-N79 PolarHBondContact OG-N 3.32Å; S76-M80 WeakPolarHBondContact O-CA 3.38Å; S76-M80 PolarHBondContact O-N 2.92Å; S76-D81 WeakPolarHBondContact CB-OD1 3.46Å; S76-D81 PolarHBondContact N-O 3.01Å; S76-D81 PolarHBondContact O-N 2.86Å
77	E	92.1	Very high	95.2	Very high	20 Å²	20	35.3 Å²	35.3	9%	0.093	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-32.6	168.6	-60.5	76.6	-172.4	0	0	111.3	M163 L165 F211 R241 P298	E77-M163 HydrophobicContact CB-SD 4.48Å; E77-M163 HydrophobicContact CG-SD 4.06Å; E77-L165 HydrophobicContact CB-CD1 4.05Å; E77-L165 HydrophobicContact CG-CD1 4.2Å; E77-L165 HydrophobicContact CG-CD2 4.16Å; E77-F211 WeakPolarHBondContact OE1-CZ 3.27Å; E77-R241 IonicContact OE1-CZ 3.93Å; E77-R241 VanDerWaalsContact OE1-CZ 3.24Å; E77-R241 IonicContact OE1-NH1 2.69Å; E77-R241 PolarHBondContact OE1-NH1 3.31Å; E77-R241 IonicContact OE1-NH2 2.62Å; E77-R241 PolarHBondContact OE1-NH2 3.34Å; E77-P298 HydrophobicContact CB-CG 3.95Å; E77-P298 WeakPolarHBondContact O-CB 3.45Å; E77-P298 VanDerWaalsContact O-CG 3.31Å; E77-P298 WeakPolarHBondContact O-CG 3.37Å
78	V	91.4	Very high	95.2	Very high	86 Å²	86	35.4 Å²	35.4	52%	0.521	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-44.4	-178.8	179.3	0	0	0	0	111	S76	S76-V78 VanDerWaalsContact C-N 3.26Å
79	N	93.2	Very high	95.3	Very high	93 Å²	93	35.4 Å²	35.4	50%	0.497	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-13.3	-178.6	-61.2	-24.4	0	0	0	113.7	S76 D81 K127	S76-N79 PolarHBondContact OG-N 3.32Å; N79-D81 WeakPolarHBondContact CB-OD1 3.41Å; N79-D81 WeakPolarHBondContact CB-OD2 3.25Å; N79-K127 PolarHBondContact O-NZ 3.16Å
80	M	94.4	Very high	95.3	Very high	40 Å²	40	35.3 Å²	35.3	20%	0.197	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	55.7	-169.3	-61.5	-76.8	177	0	0	111.5	S76 K127 A160 C161 M163 L165 I300	S76-M80 WeakPolarHBondContact O-CA 3.38Å; S76-M80 PolarHBondContact O-N 2.92Å; M80-K127 PolarHBondContact O-NZ 3.23Å; M80-K127 VanDerWaalsContact O-NZ 3.16Å; M80-A160 WeakPolarHBondContact O-CA 3.24Å; M80-C161 CarbonylContact C-O 3.6Å; M80-C161 WeakPolarHBondContact CB-O 3.34Å; M80-C161 PolarHBondContact O-N 2.91Å; M80-M163 HydrophobicContact SD-CB 3.77Å; M80-M163 HydrophobicContact SD-CG 4.03Å; M80-M163 HydrophobicContact SD-SD 4.5Å; M80-L165 HydrophobicContact CE-CD1 3.86Å; M80-I300 HydrophobicContact CE-CD1 3.86Å
81	D	96.8	Very high	95.4	Very high	13 Å²	13	33.7 Å²	33.7	7%	0.07	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	170.6	175.1	48.7	49	0	0	0	113.6	S76 N79 K127 T158 A159	S76-D81 WeakPolarHBondContact CB-OD1 3.46Å; S76-D81 PolarHBondContact N-O 3.01Å; S76-D81 PolarHBondContact O-N 2.86Å; N79-D81 WeakPolarHBondContact CB-OD1 3.41Å; N79-D81 WeakPolarHBondContact CB-OD2 3.25Å; D81-K127 HydrophobicContact CB-CD 4.22Å; D81-K127 WeakPolarHBondContact OD2-CD 3.48Å; D81-K127 IonicContact OD2-NZ 2.94Å; D81-K127 PolarHBondContact OD2-NZ 2.82Å; D81-T158 HydrophobicContact CB-CG2 3.8Å; D81-A159 CarbonylContact C-O 3.45Å; D81-A159 WeakPolarHBondContact CA-O 3.45Å; D81-A159 WeakPolarHBondContact CB-O 3.4Å
82	Y	96.9	Very high	95.6	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	146.2	170.5	68.1	-71.6	0	0	0	109.8	M74 L84 T158 A159 C161 C175 T176 L177 F237	M74-Y82 CarbonylContact O-C 3.47Å; M74-Y82 WeakPolarHBondContact O-CA 3.39Å; Y82-L84 HydrophobicContact CD2-CB 4.39Å; Y82-L84 HydrophobicContact CE2-CB 4.17Å; Y82-T158 CarbonylContact O-C 3.53Å; Y82-T158 WeakPolarHBondContact O-CA 3.44Å; Y82-A159 HydrophobicContact CD1-CB 4.28Å; Y82-A159 VanDerWaalsContact CD1-O 3.26Å; Y82-A159 WeakPolarHBondContact CD1-O 3.33Å; Y82-A159 HydrophobicContact CE1-CB 3.63Å; Y82-A159 PolarHBondContact N-O 2.99Å; Y82-A159 PolarHBondContact O-N 2.88Å; Y82-C161 HydrophobicContact CD1-CB 3.84Å; Y82-C161 HydrophobicContact CE1-CB 4.16Å; Y82-C175 HydrophobicContact CD1-CB 3.9Å; Y82-C175 HydrophobicContact CE1-CB 3.71Å; Y82-T176 PolarHBondContact OH-O 3.2Å; Y82-L177 PolarHBondContact OH-N 2.68Å; Y82-F237 HydrophobicContact CE2-CD2 4.34Å; Y82-F237 HydrophobicContact CE2-CE2 4.36Å
83	T	97	Very high	95.7	Very high	18 Å²	18	36.5 Å²	36.5	11%	0.11	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	121.3	178.4	-61.4	0	0	0	0	109.7	I72 D73 M74 T156 T157 T158	I72-T83 CarbonylContact C-O 3.58Å; I72-T83 WeakPolarHBondContact CA-O 3.48Å; D73-T83 HydrophobicContact CB-CG2 4.14Å; D73-T83 PolarHBondContact N-O 3.37Å; M74-T83 PolarHBondContact O-N 2.87Å; T83-T156 HydrophobicContact CG2-CG2 3.52Å; T83-T157 WeakPolarHBondContact CA-O 3.33Å; T83-T158 PolarHBondContact OG1-OG1 3.44Å
84	L	96.6	Very high	95.9	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	126.8	-176.7	178.6	73.5	0	0	0	109.4	V69 I72 Y82 M86 T156 T157 L177 F237	V69-L84 HydrophobicContact CG1-CD1 3.5Å; V69-L84 VanDerWaalsContact CG1-CD1 3.5Å; V69-L84 HydrophobicContact CG2-CD1 4.38Å; I72-L84 HydrophobicContact CD1-CD1 4.5Å; I72-L84 HydrophobicContact CG1-CD1 3.71Å; Y82-L84 HydrophobicContact CD2-CB 4.39Å; Y82-L84 HydrophobicContact CE2-CB 4.17Å; L84-M86 HydrophobicContact CD2-CG 4.5Å; L84-M86 HydrophobicContact CD2-SD 3.92Å; L84-T156 VanDerWaalsContact O-CA 3.31Å; L84-T156 WeakPolarHBondContact O-CA 3.27Å; L84-T157 HydrophobicContact CB-CG2 4.28Å; L84-T157 PolarHBondContact N-O 3.19Å; L84-T157 PolarHBondContact O-N 3.42Å; L84-L177 HydrophobicContact CD2-CD2 3.9Å; L84-F237 HydrophobicContact CD1-CE2 4.48Å; L84-F237 HydrophobicContact CD1-CZ 4.32Å; L84-F237 HydrophobicContact CD2-CE2 4.47Å
85	T	96.9	Very high	96.1	Very high	5 Å²	5	33.4 Å²	33.4	3%	0.031	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	121.7	171.6	-66.9	0	0	0	0	109.8	A70 S71 D73 I155 T156	A70-T85 HydrophobicContact CB-CG2 4.34Å; A70-T85 WeakPolarHBondContact CB-O 3.43Å; A70-T85 PolarHBondContact N-O 3.38Å; S71-T85 PolarHBondContact N-O 3.16Å; S71-T85 VanDerWaalsContact N-O 3.12Å; S71-T85 PolarHBondContact O-N 2.93Å; D73-T85 WeakPolarHBondContact OD2-CB 3.41Å; D73-T85 PolarHBondContact OD2-OG1 3.04Å; T85-I155 WeakPolarHBondContact CA-O 3.47Å; T85-T156 WeakPolarHBondContact OG1-CG2 3.4Å; T85-T156 PolarHBondContact OG1-OG1 2.95Å
86	M	97.2	Very high	96.2	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	156.8	-171.5	61.1	174	177.9	0	0	113.5	I67 D68 L84 F88 F123 I155 T157 L177	I67-M86 HydrophobicContact CD1-SD 4.32Å; I67-M86 HydrophobicContact CG2-CB 4.03Å; I67-M86 HydrophobicContact CG2-CG 4.49Å; I67-M86 HydrophobicContact CG2-SD 3.78Å; D68-M86 WeakPolarHBondContact O-CA 3.5Å; L84-M86 HydrophobicContact CD2-CG 4.5Å; L84-M86 HydrophobicContact CD2-SD 3.92Å; M86-F88 HydrophobicContact CE-CB 4.34Å; M86-F123 HydrophobicContact CE-CE1 3.83Å; M86-F123 HydrophobicContact CE-CE2 4.06Å; M86-F123 HydrophobicContact CE-CZ 3.41Å; M86-F123 VanDerWaalsContact CE-CZ 3.41Å; M86-I155 PolarHBondContact N-O 2.64Å; M86-I155 PolarHBondContact O-N 3.08Å; M86-T157 HydrophobicContact CE-CG2 4.25Å; M86-L177 HydrophobicContact CE-CD2 3.89Å; M86-L177 HydrophobicContact SD-CD2 4.02Å
87	Y	97.6	Very high	96.2	Very high	99 Å²	99	36.1 Å²	36.1	39%	0.388	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	108.1	160.7	-57.9	-82.8	0	0	0	108.4	I67 D68 A70 L153 R154	I67-Y87 WeakPolarHBondContact CA-O 3.48Å; D68-Y87 HydrophobicContact CB-CD2 4.39Å; D68-Y87 PolarHBondContact N-O 3.43Å; D68-Y87 PolarHBondContact O-N 2.99Å; A70-Y87 HydrophobicContact CB-CE2 4.11Å; Y87-L153 CarbonylContact C-O 3.57Å; Y87-L153 WeakPolarHBondContact CA-O 3.27Å; Y87-R154 HydrophobicContact CD1-CB 4.04Å; Y87-R154 HydrophobicContact CD1-CG 4.02Å; Y87-R154 HydrophobicContact CE1-CB 4.08Å; Y87-R154 HydrophobicContact CE1-CG 3.8Å
88	F	97.9	Very high	96.4	Very high	3 Å²	3	37.9 Å²	37.9	1%	0.013	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	120.6	177.3	-178.7	-129.3	0	0	0	108.6	M65 I67 M86 Q90 F123 L153 I155 I179	M65-F88 HydrophobicContact SD-CE2 3.75Å; M65-F88 HydrophobicContact SD-CZ 3.73Å; I67-F88 HydrophobicContact CG1-CD2 4.09Å; M86-F88 HydrophobicContact CE-CB 4.34Å; F88-Q90 HydrophobicContact CE1-CG 4.27Å; F88-Q90 HydrophobicContact CZ-CG 4.28Å; F88-F123 HydrophobicContact CD1-CZ 4.16Å; F88-F123 HydrophobicContact CE1-CZ 4.11Å; F88-F123 HydrophobicContact CG-CZ 4.42Å; F88-F123 HydrophobicContact CZ-CE1 4.35Å; F88-F123 HydrophobicContact CZ-CZ 4.36Å; F88-L153 HydrophobicContact CD1-CD1 4.43Å; F88-L153 PolarHBondContact N-O 3.29Å; F88-L153 PolarHBondContact O-N 3.43Å; F88-I155 HydrophobicContact CB-CD1 3.97Å; F88-I155 HydrophobicContact CB-CG1 4.46Å; F88-I155 HydrophobicContact CD1-CD1 3.8Å; F88-I155 HydrophobicContact CG-CD1 4.27Å; F88-I179 HydrophobicContact CE2-CD1 4.26Å; F88-I179 HydrophobicContact CE2-CG2 4.38Å; F88-I179 HydrophobicContact CZ-CG2 4Å
89	Q	97.4	Very high	96.5	Very high	56 Å²	56	34.4 Å²	34.4	26%	0.262	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	140.4	-178.2	-66	179.5	7	0	0	110.4	M65 R66 L150 Y151	M65-Q89 WeakPolarHBondContact CA-O 3.24Å; R66-Q89 HydrophobicContact CB-CB 4.22Å; R66-Q89 PolarHBondContact N-O 2.88Å; R66-Q89 PolarHBondContact O-N 3.33Å; Q89-L150 HydrophobicContact CB-CD1 4.38Å; Q89-Y151 WeakPolarHBondContact CA-O 3.49Å
90	Q	97.9	Very high	96.4	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.009	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	140.5	176.6	-65.9	175.4	-9.8	0	0	108.8	V63 F88 W92 T121 Y151	V63-Q90 HydrophobicContact CG1-CB 4.2Å; V63-Q90 HydrophobicContact CG1-CG 4.43Å; F88-Q90 HydrophobicContact CE1-CG 4.27Å; F88-Q90 HydrophobicContact CZ-CG 4.28Å; Q90-W92 HydrophobicContact CB-CE3 4.21Å; Q90-W92 HydrophobicContact CB-CZ3 3.99Å; Q90-T121 PolarHBondContact NE2-OG1 3.49Å; Q90-Y151 PolarHBondContact N-O 2.86Å; Q90-Y151 PolarHBondContact O-N 2.75Å
91	S	97.4	Very high	96	Very high	16 Å²	16	34.2 Å²	34.2	11%	0.112	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	133.6	169.8	-165.3	0	0	0	0	110.8	V63 G64 T148 V149	V63-S91 WeakPolarHBondContact CA-O 3.34Å; G64-S91 PolarHBondContact N-O 3Å; G64-S91 PolarHBondContact O-N 3.37Å; S91-T148 VanDerWaalsContact OG-CG2 3.31Å; S91-T148 WeakPolarHBondContact OG-CG2 3.38Å; S91-V149 WeakPolarHBondContact CA-O 3.07Å; S91-V149 WeakPolarHBondContact CB-O 3.16Å; S91-V149 PolarHBondContact OG-O 3.18Å
92	W	97.9	Very high	95.6	Very high	7 Å²	7	33.9 Å²	33.9	3%	0.027	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	169.5	178.5	68.2	90.6	0	0	0	108.8	V61 D62 V63 Q90 W117 V118 P119 T148 V149 Y151	V61-W92 HydrophobicContact CG2-CB 4.14Å; D62-W92 WeakPolarHBondContact O-CA 3.11Å; D62-W92 WeakPolarHBondContact O-CB 3.33Å; V63-W92 HydrophobicContact CG2-CB 4.07Å; Q90-W92 HydrophobicContact CB-CE3 4.21Å; Q90-W92 HydrophobicContact CB-CZ3 3.99Å; W92-W117 HydrophobicContact CD2-CZ3 4.29Å; W92-W117 HydrophobicContact CG-CZ3 4.3Å; W92-W117 HydrophobicContact CZ2-CE3 4.41Å; W92-W117 VanDerWaalsContact CZ2-O 3.31Å; W92-W117 WeakPolarHBondContact CZ2-O 3.45Å; W92-W117 AromaticContact NE1-CE3 3.86Å; W92-W117 AromaticContact NE1-CZ3 3.88Å; W92-V118 HydrophobicContact CH2-CB 4.25Å; W92-V118 HydrophobicContact CH2-CG1 4.01Å; W92-V118 HydrophobicContact CZ2-CG1 4.37Å; W92-P119 HydrophobicContact CD2-CG 4.36Å; W92-P119 HydrophobicContact CE3-CG 3.87Å; W92-P119 VanDerWaalsContact CZ3-CD 3.42Å; W92-P119 HydrophobicContact CZ3-CG 3.97Å; W92-T148 WeakPolarHBondContact O-CA 3.49Å; W92-V149 HydrophobicContact CD2-CB 4.18Å; W92-V149 HydrophobicContact CH2-CB 4.48Å; W92-V149 HydrophobicContact CH2-CG1 3.93Å; W92-V149 HydrophobicContact CZ2-CB 3.94Å; W92-V149 HydrophobicContact CZ2-CG1 3.64Å; W92-V149 HydrophobicContact CZ2-CG2 4.32Å; W92-V149 PolarHBondContact N-O 3.44Å; W92-V149 PolarHBondContact O-N 3.4Å; W92-Y151 HydrophobicContact CH2-CD1 4.29Å; W92-Y151 HydrophobicContact CH2-CG 4.22Å; W92-Y151 HydrophobicContact CZ3-CD1 4.31Å; W92-Y151 HydrophobicContact CZ3-CG 4.37Å
93	K	97.3	Very high	95.2	Very high	95 Å²	95	38.6 Å²	38.6	41%	0.413	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	120.9	179.6	-162.6	177.2	-177.2	102.9	0	110.9	D146	K93-D146 WeakPolarHBondContact CE-O 3.15Å; K93-D146 PolarHBondContact NZ-O 3.28Å; K93-D146 VanDerWaalsContact NZ-O 3.14Å; K93-D146 IonicContact NZ-OD2 3.88Å; K93-D146 PolarHBondContact NZ-OD2 2.86Å
94	D	97.5	Very high	94.9	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.011	23%	0.228	C	C	.	.			trans	-116.8	105.2	171.4	-169.6	-14.6	0	0	0	109.7	Y48 P54 R96 L97 G147 V149	Y48-D94 WeakPolarHBondContact CE2-OD2 3.29Å; Y48-D94 PolarHBondContact OH-OD2 3.28Å; P54-D94 HydrophobicContact CB-CB 4.34Å; P54-D94 HydrophobicContact CG-CB 3.89Å; D94-R96 PolarHBondContact O-N 2.89Å; D94-R96 VanDerWaalsContact O-N 3.11Å; D94-R96 WeakPolarHBondContact OD1-CB 3.23Å; D94-R96 VanDerWaalsContact OD1-CG 3.32Å; D94-R96 WeakPolarHBondContact OD1-CG 3.22Å; D94-R96 IonicContact OD1-CZ 3.15Å; D94-R96 PolarHBondContact OD1-N 3.2Å; D94-R96 IonicContact OD1-NE 2.71Å; D94-R96 PolarHBondContact OD1-NE 3.46Å; D94-R96 IonicContact OD1-NH2 2.71Å; D94-R96 IonicContact OD2-CZ 2.9Å; D94-R96 VanDerWaalsContact OD2-CZ 3.32Å; D94-R96 IonicContact OD2-NE 3.56Å; D94-R96 PolarHBondContact OD2-NE 3.41Å; D94-R96 VanDerWaalsContact OD2-NE 3.1Å; D94-R96 IonicContact OD2-NH2 3.19Å; D94-R96 PolarHBondContact OD2-NH2 3.49Å; D94-L97 HydrophobicContact CB-CB 4.47Å; D94-L97 HydrophobicContact CB-CD1 4.07Å; D94-L97 HydrophobicContact CB-CG 4.19Å; D94-L97 PolarHBondContact O-N 3.39Å; D94-G147 PolarHBondContact N-O 3.21Å; D94-G147 WeakPolarHBondContact O-CA 3.21Å; D94-V149 HydrophobicContact CB-CG2 4.38Å
95	K	95.6	Very high	94.8	Very high	117 Å²	117	46.4 Å²	46.4	51%	0.509	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-57.5	-27.4	-179.7	-61.9	170.5	-168	156.5	0	112.3	D55 L97 S98	D55-K95 WeakPolarHBondContact OD1-CE 3.22Å; D55-K95 IonicContact OD1-NZ 2.76Å; D55-K95 PolarHBondContact OD1-NZ 3.07Å; D55-K95 WeakPolarHBondContact OD2-CE 3.21Å; D55-K95 IonicContact OD2-NZ 3.1Å; D55-K95 PolarHBondContact OD2-NZ 3.48Å; K95-L97 PolarHBondContact O-N 3.06Å; K95-S98 PolarHBondContact O-N 3.33Å; K95-S98 PolarHBondContact O-OG 3.16Å
96	R	95.9	Very high	94.6	Very high	84 Å²	84	47.1 Å²	47.1	32%	0.317	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-65.7	-22.8	177.6	-56.5	172.7	-70.4	-171.7	-0.2	112.6	Y48 D49 L52 D94	Y48-R96 HydrophobicContact CD2-CB 4.03Å; Y48-R96 HydrophobicContact CE2-CB 3.91Å; Y48-R96 PolarHBondContact OH-NH2 3.41Å; D49-R96 PolarHBondContact O-NH1 2.97Å; L52-R96 PolarHBondContact O-NH1 3.17Å; L52-R96 PolarHBondContact O-NH2 3.16Å; D94-R96 PolarHBondContact O-N 2.89Å; D94-R96 VanDerWaalsContact O-N 3.11Å; D94-R96 WeakPolarHBondContact OD1-CB 3.23Å; D94-R96 VanDerWaalsContact OD1-CG 3.32Å; D94-R96 WeakPolarHBondContact OD1-CG 3.22Å; D94-R96 IonicContact OD1-CZ 3.15Å; D94-R96 PolarHBondContact OD1-N 3.2Å; D94-R96 IonicContact OD1-NE 2.71Å; D94-R96 PolarHBondContact OD1-NE 3.46Å; D94-R96 IonicContact OD1-NH2 2.71Å; D94-R96 IonicContact OD2-CZ 2.9Å; D94-R96 VanDerWaalsContact OD2-CZ 3.32Å; D94-R96 IonicContact OD2-NE 3.56Å; D94-R96 PolarHBondContact OD2-NE 3.41Å; D94-R96 VanDerWaalsContact OD2-NE 3.1Å; D94-R96 IonicContact OD2-NH2 3.19Å; D94-R96 PolarHBondContact OD2-NH2 3.49Å
97	L	95.9	Very high	94.5	Very high	3 Å²	3	51 Å²	51	2%	0.016	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-102.6	11.1	-177.6	-57.5	178	0	0	0	113	L44 Y48 D94 K95 L116 L143 V149	L44-L97 HydrophobicContact CB-CD2 4.46Å; Y48-L97 HydrophobicContact CD2-CD2 3.84Å; Y48-L97 HydrophobicContact CE2-CD1 4.26Å; Y48-L97 HydrophobicContact CE2-CD2 3.63Å; Y48-L97 HydrophobicContact CE2-CG 3.88Å; D94-L97 HydrophobicContact CB-CB 4.47Å; D94-L97 HydrophobicContact CB-CD1 4.07Å; D94-L97 HydrophobicContact CB-CG 4.19Å; D94-L97 PolarHBondContact O-N 3.39Å; K95-L97 PolarHBondContact O-N 3.06Å; L97-L116 HydrophobicContact CD1-CD1 4.29Å; L97-L116 HydrophobicContact CD1-CD2 3.92Å; L97-L116 HydrophobicContact CD2-CD2 3.78Å; L97-L143 HydrophobicContact CB-CD2 4.48Å; L97-L143 HydrophobicContact CD1-CD2 4.1Å; L97-V149 HydrophobicContact CD1-CG2 3.83Å
98	S	95.3	Very high	94.2	Very high	57 Å²	57	48 Å²	48	40%	0.399	27%	0.267	S	S	.	.			trans	-75.2	142.4	175.7	60.7	0	0	0	0	111.9	L44 K95	L44-S98 WeakPolarHBondContact CD2-O 3.25Å; K95-S98 PolarHBondContact O-N 3.33Å; K95-S98 PolarHBondContact O-OG 3.16Å
99	Y	94.2	Very high	94.1	Very high	12 Å²	12	51.8 Å²	51.8	5%	0.047	29%	0.287	C	S	.	.			trans	-140.8	138.9	-175.8	58	-90.8	0	0	0	112.9	T40 L44 I102 L104 L106 L143 H144 P145	T40-Y99 HydrophobicContact CG2-CG 4.49Å; L44-Y99 HydrophobicContact CD1-CD1 4.19Å; Y99-I102 HydrophobicContact CD2-CB 4.04Å; Y99-I102 HydrophobicContact CE2-CB 4Å; Y99-I102 HydrophobicContact CE2-CG2 4.34Å; Y99-L104 PolarHBondContact OH-O 2.74Å; Y99-L106 HydrophobicContact CD1-CD1 4.42Å; Y99-L106 HydrophobicContact CD2-CD1 4.36Å; Y99-L106 HydrophobicContact CE1-CD1 4.09Å; Y99-L106 HydrophobicContact CE1-CG 4.39Å; Y99-L106 HydrophobicContact CE2-CD1 4.01Å; Y99-L106 HydrophobicContact CE2-CG 4.07Å; Y99-L106 PolarHBondContact OH-N 2.8Å; Y99-L106 VanDerWaalsContact OH-N 3.15Å; Y99-L143 HydrophobicContact CE1-CB 3.82Å; Y99-L143 PolarHBondContact OH-O 3.25Å; Y99-H144 WeakPolarHBondContact CE1-O 3.36Å; Y99-P145 HydrophobicContact CD2-CB 4.04Å; Y99-P145 HydrophobicContact CE2-CB 3.75Å; Y99-P145 PolarHBondContact N-O 3.03Å; Y99-P145 WeakPolarHBondContact O-CB 3.2Å
100	S	90.9	Very high	93.8	Very high	88 Å²	88	50.1 Å²	50.1	62%	0.615	28%	0.28	S	S	*	.	S	Bend	trans	-106.4	152.3	177.5	58.3	0	0	0	0	111.6
101	G	86.3	Confident	93.6	Very high	41 Å²	41	58.3 Å²	58.3	42%	0.423	31%	0.311	S	S	.	.	S	Bend	trans	91.7	-8.9	173.5	0	0	0	0	0	115.6
102	I	88.8	Confident	93.5	Very high	7 Å²	7	58.4 Å²	58.4	4%	0.036	31%	0.311	C	S	.	.			trans	-116.6	114.9	174.5	-55.9	175	0	0	0	108.6	Y36 V37 T40 Y99 L104 L106	Y36-I102 HydrophobicContact CD1-CD1 4.27Å; Y36-I102 HydrophobicContact CD1-CG1 4.02Å; Y36-I102 HydrophobicContact CE1-CD1 4.26Å; Y36-I102 HydrophobicContact CE1-CG1 3.71Å; V37-I102 HydrophobicContact CG2-CD1 4.24Å; T40-I102 HydrophobicContact CG2-CD1 4.07Å; Y99-I102 HydrophobicContact CD2-CB 4.04Å; Y99-I102 HydrophobicContact CE2-CB 4Å; Y99-I102 HydrophobicContact CE2-CG2 4.34Å; I102-L104 HydrophobicContact CG2-CB 4.08Å; I102-L104 PolarHBondContact O-N 3.5Å; I102-L106 HydrophobicContact CD1-CD1 4.31Å; I102-L106 HydrophobicContact CG2-CD2 4.26Å
103	P	87.7	Confident	93.3	Very high	99 Å²	99	58.4 Å²	58.4	64%	0.643	31%	0.312	S	S	*	.			trans	-84.8	15.8	-178.6	35.9	-36.3	0	0	0	113.5	P31	P31-P103 HydrophobicContact CB-CG 4.47Å
104	L	90.4	Very high	93.2	Very high	101 Å²	101	58.3 Å²	58.3	53%	0.529	32%	0.316	S	S	.	.	S	Bend	trans	-121.3	141.5	-172.3	-61.5	175.7	0	0	0	110.5	P31 Y99 I102 L106	P31-L104 HydrophobicContact CB-CD1 4.38Å; Y99-L104 PolarHBondContact OH-O 2.74Å; I102-L104 HydrophobicContact CG2-CB 4.08Å; I102-L104 PolarHBondContact O-N 3.5Å; L104-L106 PolarHBondContact O-N 3.01Å
105	N	94.3	Very high	93.1	Very high	81 Å²	81	63.6 Å²	63.6	43%	0.433	34%	0.341	S	S	.	.			trans	-75.6	104.2	176.2	-57.8	-42.9	0	0	0	110.6	T107 R142 L143 H144	N105-T107 PolarHBondContact O-N 3.15Å; N105-R142 HydrophobicContact CB-CG 4.14Å; N105-L143 CarbonylContact C-O 3.54Å; N105-H144 VanDerWaalsContact CG-CE1 3.5Å; N105-H144 PolarHBondContact OD1-ND1 3.14Å
106	L	92.8	Very high	93.1	Very high	20 Å²	20	58.3 Å²	58.3	11%	0.105	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	103.5	179.7	-62.6	178.6	0	0	0	111.4	V37 V41 Y99 I102 L104 L108 R142 L143	V37-L106 HydrophobicContact CG1-CD2 3.87Å; V41-L106 HydrophobicContact CG2-CD1 4.28Å; Y99-L106 HydrophobicContact CD1-CD1 4.42Å; Y99-L106 HydrophobicContact CD2-CD1 4.36Å; Y99-L106 HydrophobicContact CE1-CD1 4.09Å; Y99-L106 HydrophobicContact CE1-CG 4.39Å; Y99-L106 HydrophobicContact CE2-CD1 4.01Å; Y99-L106 HydrophobicContact CE2-CG 4.07Å; Y99-L106 PolarHBondContact OH-N 2.8Å; Y99-L106 VanDerWaalsContact OH-N 3.15Å; I102-L106 HydrophobicContact CD1-CD1 4.31Å; I102-L106 HydrophobicContact CG2-CD2 4.26Å; L104-L106 PolarHBondContact O-N 3.01Å; L106-L108 HydrophobicContact CB-CD2 4.35Å; L106-R142 CarbonylContact O-C 3.6Å; L106-R142 WeakPolarHBondContact O-CA 3.2Å; L106-L143 PolarHBondContact N-O 3.42Å; L106-L143 PolarHBondContact O-N 3.29Å
107	T	94.9	Very high	93.2	Very high	82 Å²	82	54.7 Å²	54.7	50%	0.503	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	114.3	168.7	-53.5	0	0	0	0	107.7	N105 R142	N105-T107 PolarHBondContact O-N 3.15Å; T107-R142 PolarHBondContact OG1-NE 3.14Å
108	L	93	Very high	93.3	Very high	36 Å²	36	56.6 Å²	56.6	19%	0.188	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	160.2	-173.6	-61.2	-178.9	0	0	0	111.7	V41 L106 V112 I141 L143	V41-L108 HydrophobicContact CG2-CD2 4.14Å; L106-L108 HydrophobicContact CB-CD2 4.35Å; L108-V112 HydrophobicContact CB-CG1 3.76Å; L108-V112 HydrophobicContact CD1-CG1 3.98Å; L108-V112 HydrophobicContact CD1-CG2 4.35Å; L108-I141 HydrophobicContact CB-CB 4.47Å; L108-I141 HydrophobicContact CB-CG2 4.31Å; L108-I141 HydrophobicContact CD1-CG2 4.43Å; L108-I141 PolarHBondContact N-O 2.97Å; L108-L143 HydrophobicContact CD1-CD1 3.64Å; L108-L143 HydrophobicContact CD1-CG 4Å
109	D	94	Very high	93.4	Very high	82 Å²	82	54.3 Å²	54.3	44%	0.439	30%	0.3	S	S	.	.			trans	-66.3	149.9	177.7	-178.8	42.6	0	0	0	112.6	R111 V112	D109-R111 PolarHBondContact O-N 3.48Å; D109-R111 IonicContact OD2-CZ 2.95Å; D109-R111 IonicContact OD2-NE 2.7Å; D109-R111 PolarHBondContact OD2-NE 2.95Å; D109-R111 IonicContact OD2-NH2 2.66Å; D109-R111 PolarHBondContact OD2-NH2 3.36Å; D109-V112 WeakPolarHBondContact O-CG1 3.39Å; D109-V112 PolarHBondContact O-N 3.24Å; D109-V112 VanDerWaalsContact O-N 3.08Å
110	N	92.4	Very high	93.5	Very high	20 Å²	20	56.1 Å²	56.1	11%	0.107	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-12.5	-169.3	72.9	0.7	0	0	0	114.8	V136 K137 R139	N110-V136 WeakPolarHBondContact ND2-CG2 3.29Å; N110-K137 PolarHBondContact ND2-O 2.92Å; N110-R139 HydrophobicContact CB-CB 4.3Å; N110-R139 VanDerWaalsContact CB-O 3.31Å; N110-R139 WeakPolarHBondContact CB-O 3.43Å; N110-R139 PolarHBondContact O-NE 3.47Å; N110-R139 PolarHBondContact O-NH2 2.73Å
111	R	93.3	Very high	93.8	Very high	175 Å²	175	53.4 Å²	53.4	66%	0.66	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-22.9	176.2	-73.4	173	-70	175.7	0.4	113.7	D109 A113 D114	D109-R111 PolarHBondContact O-N 3.48Å; D109-R111 IonicContact OD2-CZ 2.95Å; D109-R111 IonicContact OD2-NE 2.7Å; D109-R111 PolarHBondContact OD2-NE 2.95Å; D109-R111 IonicContact OD2-NH2 2.66Å; D109-R111 PolarHBondContact OD2-NH2 3.36Å; R111-A113 PolarHBondContact O-N 2.95Å; R111-D114 PolarHBondContact O-N 3.24Å; R111-D114 VanDerWaalsContact O-N 3.16Å
112	V	94.6	Very high	94.3	Very high	18 Å²	18	54.7 Å²	54.7	11%	0.109	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-66.2	-24.3	177.6	82.9	0	0	0	0	111.9	L45 L108 D109 D114 Q115 L116 I141	L45-V112 HydrophobicContact CD1-CG2 4.21Å; L45-V112 HydrophobicContact CD2-CG2 4.31Å; L108-V112 HydrophobicContact CB-CG1 3.76Å; L108-V112 HydrophobicContact CD1-CG1 3.98Å; L108-V112 HydrophobicContact CD1-CG2 4.35Å; D109-V112 WeakPolarHBondContact O-CG1 3.39Å; D109-V112 PolarHBondContact O-N 3.24Å; D109-V112 VanDerWaalsContact O-N 3.08Å; V112-D114 PolarHBondContact O-N 3.37Å; V112-D114 VanDerWaalsContact O-N 3.16Å; V112-Q115 PolarHBondContact O-N 2.92Å; V112-L116 HydrophobicContact CG1-CD1 4.14Å; V112-L116 HydrophobicContact CG2-CD1 4.3Å; V112-L116 HydrophobicContact CG2-CG 4.36Å; V112-L116 WeakPolarHBondContact O-CG 3.33Å; V112-L116 PolarHBondContact O-N 2.98Å; V112-I141 HydrophobicContact CG1-CB 3.88Å; V112-I141 HydrophobicContact CG1-CG1 3.91Å; V112-I141 HydrophobicContact CG1-CG2 3.84Å
113	A	94.3	Very high	94.8	Very high	7 Å²	7	55.3 Å²	55.3	6%	0.058	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-59.8	-22.6	174.7	0	0	0	0	0	113.5	R111 Q115 I141 Y151	R111-A113 PolarHBondContact O-N 2.95Å; A113-Q115 VanDerWaalsContact C-N 3.26Å; A113-I141 HydrophobicContact CB-CD1 4.06Å; A113-I141 HydrophobicContact CB-CG1 3.83Å; A113-Y151 HydrophobicContact CB-CE2 4.13Å
114	D	94.6	Very high	95.2	Very high	93 Å²	93	54 Å²	54	50%	0.497	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-84.6	1.1	175.9	-52.9	-52.7	0	0	0	112.6	R111 V112 R139	R111-D114 PolarHBondContact O-N 3.24Å; R111-D114 VanDerWaalsContact O-N 3.16Å; V112-D114 PolarHBondContact O-N 3.37Å; V112-D114 VanDerWaalsContact O-N 3.16Å; D114-R139 IonicContact OD1-CZ 2.76Å; D114-R139 VanDerWaalsContact OD1-CZ 3.3Å; D114-R139 IonicContact OD1-NH1 2.9Å; D114-R139 PolarHBondContact OD1-NH1 2.67Å; D114-R139 IonicContact OD1-NH2 2.73Å; D114-R139 PolarHBondContact OD1-NH2 2.71Å; D114-R139 IonicContact OD2-CZ 3.47Å; D114-R139 IonicContact OD2-NH1 3.74Å; D114-R139 IonicContact OD2-NH2 3.24Å; D114-R139 PolarHBondContact OD2-NH2 3.13Å
115	Q	95.7	Very high	95.4	Very high	113 Å²	113	50.9 Å²	50.9	53%	0.528	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.9	-6.1	178.7	-59.7	-178	0.6	0	0	113.2	V112 A113	V112-Q115 PolarHBondContact O-N 2.92Å; A113-Q115 VanDerWaalsContact C-N 3.26Å
116	L	96.4	Very high	95.6	Very high	5 Å²	5	49.2 Å²	49.2	3%	0.026	25%	0.247	C	C	.	.	S	Bend	trans	-108.9	150.8	-180	-64.5	179.4	0	0	0	110.6	L45 Y48 I50 L97 V112 I141	L45-L116 HydrophobicContact CD2-CD2 3.75Å; Y48-L116 HydrophobicContact CD1-CD2 4.38Å; Y48-L116 HydrophobicContact CE1-CD2 4.07Å; Y48-L116 HydrophobicContact CE2-CD2 4.47Å; I50-L116 WeakPolarHBondContact CD1-O 3.38Å; L97-L116 HydrophobicContact CD1-CD1 4.29Å; L97-L116 HydrophobicContact CD1-CD2 3.92Å; L97-L116 HydrophobicContact CD2-CD2 3.78Å; V112-L116 HydrophobicContact CG1-CD1 4.14Å; V112-L116 HydrophobicContact CG2-CD1 4.3Å; V112-L116 HydrophobicContact CG2-CG 4.36Å; V112-L116 WeakPolarHBondContact O-CG 3.33Å; V112-L116 PolarHBondContact O-N 2.98Å; L116-I141 HydrophobicContact CD1-CG2 4.15Å
117	W	97.6	Very high	95.7	Very high	8 Å²	8	53.2 Å²	53.2	3%	0.03	26%	0.264	C	S	.	.			trans	-66.4	136.2	168.7	178.9	96	0	0	0	108.9	Y48 R53 P54 V61 W92 P119 Y184 I189	Y48-W117 WeakPolarHBondContact OH-CB 3.39Å; Y48-W117 PolarHBondContact OH-N 2.84Å; R53-W117 HydrophobicContact CB-CZ2 3.75Å; P54-W117 HydrophobicContact CG-CE3 4.08Å; P54-W117 HydrophobicContact CG-CZ3 4.2Å; V61-W117 HydrophobicContact CG1-CH2 3.72Å; V61-W117 HydrophobicContact CG1-CZ2 4.38Å; V61-W117 HydrophobicContact CG1-CZ3 4.42Å; W92-W117 HydrophobicContact CD2-CZ3 4.29Å; W92-W117 HydrophobicContact CG-CZ3 4.3Å; W92-W117 HydrophobicContact CZ2-CE3 4.41Å; W92-W117 VanDerWaalsContact CZ2-O 3.31Å; W92-W117 WeakPolarHBondContact CZ2-O 3.45Å; W92-W117 AromaticContact NE1-CE3 3.86Å; W92-W117 AromaticContact NE1-CZ3 3.88Å; W117-P119 HydrophobicContact CH2-CB 4.4Å; W117-P119 HydrophobicContact CH2-CG 3.94Å; W117-P119 HydrophobicContact CZ3-CG 3.86Å; W117-Y184 HydrophobicContact CZ2-CE2 4.07Å; W117-Y184 AromaticContact NE1-CZ 3.74Å; W117-Y184 PolarHBondContact NE1-OH 3.32Å; W117-I189 HydrophobicContact CH2-CD1 4.25Å
118	V	97.4	Very high	95.8	Very high	44 Å²	44	56.5 Å²	56.5	27%	0.267	27%	0.271	S	S	.	.			trans	-133.6	148.9	173.6	-60.9	0	0	0	0	109.4	W92 Y151	W92-V118 HydrophobicContact CH2-CB 4.25Å; W92-V118 HydrophobicContact CH2-CG1 4.01Å; W92-V118 HydrophobicContact CZ2-CG1 4.37Å; V118-Y151 HydrophobicContact CB-CE1 4.23Å; V118-Y151 HydrophobicContact CG1-CD1 4.39Å; V118-Y151 HydrophobicContact CG1-CE1 4.2Å
119	P	97.5	Very high	96	Very high	8 Å²	8	57.3 Å²	57.3	5%	0.052	28%	0.28	C	S	.	.			trans	-56.8	138.6	174.4	-26	35.3	0	0	0	112.6	V63 W92 W117 T121 I189	V63-P119 HydrophobicContact CG1-CG 3.94Å; V63-P119 HydrophobicContact CG2-CG 3.97Å; W92-P119 HydrophobicContact CD2-CG 4.36Å; W92-P119 HydrophobicContact CE3-CG 3.87Å; W92-P119 VanDerWaalsContact CZ3-CD 3.42Å; W92-P119 HydrophobicContact CZ3-CG 3.97Å; W117-P119 HydrophobicContact CH2-CB 4.4Å; W117-P119 HydrophobicContact CH2-CG 3.94Å; W117-P119 HydrophobicContact CZ3-CG 3.86Å; P119-T121 HydrophobicContact CB-CG2 3.94Å; P119-T121 PolarHBondContact O-N 3.44Å; P119-I189 HydrophobicContact CB-CD1 4.28Å
120	D	96.4	Very high	96.2	Very high	50 Å²	50	58.4 Å²	58.4	27%	0.267	28%	0.281	S	S	.	.			trans	-83.5	37.9	-179.7	67.8	-11.6	0	0	0	112.9	Y122 S181 Y182 G183	D120-Y122 PolarHBondContact O-N 3.42Å; D120-S181 WeakPolarHBondContact OD1-CB 3.37Å; D120-S181 PolarHBondContact OD1-OG 2.76Å; D120-Y182 PolarHBondContact O-N 2.64Å; D120-Y182 PolarHBondContact OD1-N 3.26Å; D120-Y182 PolarHBondContact OD2-N 3.06Å; D120-G183 WeakPolarHBondContact OD2-CA 3.48Å; D120-G183 PolarHBondContact OD2-N 3.5Å
121	T	97.4	Very high	96.4	Very high	31 Å²	31	60.4 Å²	60.4	19%	0.19	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	130.3	-174	50.8	0	0	0	0	112.2	M65 Q90 P119 E180 F191	M65-T121 HydrophobicContact CE-CG2 3.52Å; Q90-T121 PolarHBondContact NE2-OG1 3.49Å; P119-T121 HydrophobicContact CB-CG2 3.94Å; P119-T121 PolarHBondContact O-N 3.44Å; T121-E180 CarbonylContact C-O 3.5Å; T121-E180 VanDerWaalsContact CA-O 3.29Å; T121-E180 WeakPolarHBondContact CA-O 3.47Å; T121-F191 HydrophobicContact CG2-CE1 4.2Å; T121-F191 HydrophobicContact CG2-CE2 4.19Å; T121-F191 HydrophobicContact CG2-CZ 3.55Å
122	Y	97.4	Very high	96.6	Very high	68 Å²	68	53.7 Å²	53.7	27%	0.267	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	166.2	174.7	81.8	-72.9	0	0	0	111.4	D120 L124 E180 Y182	D120-Y122 PolarHBondContact O-N 3.42Å; Y122-L124 HydrophobicContact CE2-CB 4.3Å; Y122-L124 HydrophobicContact CE2-CD1 4.14Å; Y122-E180 HydrophobicContact CD1-CB 4.24Å; Y122-E180 VanDerWaalsContact CD1-O 3.27Å; Y122-E180 WeakPolarHBondContact CD1-O 3.35Å; Y122-E180 HydrophobicContact CE1-CB 3.64Å; Y122-E180 HydrophobicContact CE1-CG 3.8Å; Y122-E180 PolarHBondContact N-O 3.39Å; Y122-E180 PolarHBondContact O-N 2.76Å; Y122-E180 PolarHBondContact OH-OE2 2.83Å; Y122-Y182 HydrophobicContact CD1-CD2 4.1Å; Y122-Y182 HydrophobicContact CE1-CD2 4.05Å; Y122-Y182 HydrophobicContact CG-CD2 4.49Å
123	F	97.9	Very high	96.6	Very high	21 Å²	21	55 Å²	55	9%	0.092	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	113.9	177.1	-59.3	-59.5	0	0	0	109	M86 F88 N125 D126 I155 L177 E178 I179	M86-F123 HydrophobicContact CE-CE1 3.83Å; M86-F123 HydrophobicContact CE-CE2 4.06Å; M86-F123 HydrophobicContact CE-CZ 3.41Å; M86-F123 VanDerWaalsContact CE-CZ 3.41Å; F88-F123 HydrophobicContact CD1-CZ 4.16Å; F88-F123 HydrophobicContact CE1-CZ 4.11Å; F88-F123 HydrophobicContact CG-CZ 4.42Å; F88-F123 HydrophobicContact CZ-CE1 4.35Å; F88-F123 HydrophobicContact CZ-CZ 4.36Å; F123-N125 VanDerWaalsContact C-N 3.26Å; F123-N125 PolarHBondContact O-N 3.12Å; F123-D126 HydrophobicContact CB-CB 3.77Å; F123-D126 PolarHBondContact O-N 3.36Å; F123-I155 HydrophobicContact CE2-CD1 3.94Å; F123-I155 HydrophobicContact CE2-CG2 4.3Å; F123-I155 HydrophobicContact CZ-CD1 4.08Å; F123-L177 HydrophobicContact CB-CD1 4.39Å; F123-L177 HydrophobicContact CD1-CD1 3.84Å; F123-L177 HydrophobicContact CD1-CD2 4.45Å; F123-L177 HydrophobicContact CD1-CG 4.21Å; F123-L177 HydrophobicContact CE1-CD1 4.43Å; F123-L177 HydrophobicContact CE1-CD2 4.31Å; F123-L177 HydrophobicContact CG-CD1 4.19Å; F123-E178 CarbonylContact C-O 3.55Å; F123-E178 WeakPolarHBondContact CA-O 3.27Å; F123-I179 HydrophobicContact CD1-CB 4.39Å; F123-I179 HydrophobicContact CD1-CG1 3.89Å; F123-I179 HydrophobicContact CD1-CG2 4.17Å; F123-I179 HydrophobicContact CE1-CB 4.48Å; F123-I179 HydrophobicContact CE1-CD1 4.31Å; F123-I179 HydrophobicContact CE1-CG1 3.9Å; F123-I179 HydrophobicContact CE1-CG2 3.98Å
124	L	96.1	Very high	96.6	Very high	71 Å²	71	60.6 Å²	60.6	37%	0.372	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-32.3	-174.3	177.9	65.8	0	0	0	112.8	Y122 E178 R232	Y122-L124 HydrophobicContact CE2-CB 4.3Å; Y122-L124 HydrophobicContact CE2-CD1 4.14Å; L124-E178 HydrophobicContact CB-CB 4.01Å; L124-E178 PolarHBondContact N-O 2.82Å; L124-R232 VanDerWaalsContact CD2-CZ 3.48Å
125	N	95.9	Very high	96.5	Very high	36 Å²	36	62.7 Å²	62.7	19%	0.193	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-2.4	-178.3	-64.1	-5.3	0	0	0	113.3	F123 K127 A159 A160 T176	F123-N125 VanDerWaalsContact C-N 3.26Å; F123-N125 PolarHBondContact O-N 3.12Å; N125-K127 PolarHBondContact O-N 3.04Å; N125-A159 HydrophobicContact CB-CB 4.25Å; N125-A159 CarbonylContact O-C 3.45Å; N125-A159 WeakPolarHBondContact O-CA 3.28Å; N125-A160 PolarHBondContact O-N 2.83Å; N125-T176 PolarHBondContact ND2-O 3.09Å; N125-T176 PolarHBondContact ND2-OG1 3.36Å; N125-T176 VanDerWaalsContact ND2-OG1 3.09Å
126	D	97.1	Very high	96.5	Very high	46 Å²	46	61.3 Å²	61.3	25%	0.246	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	124.5	-172.2	-177.7	48.1	0	0	0	112.4	F123 K128 S129 T157	F123-D126 HydrophobicContact CB-CB 3.77Å; F123-D126 PolarHBondContact O-N 3.36Å; D126-K128 PolarHBondContact OD1-N 3.07Å; D126-S129 PolarHBondContact OD1-N 2.91Å; D126-S129 WeakPolarHBondContact OD2-CB 3.45Å; D126-S129 PolarHBondContact OD2-N 3.37Å; D126-S129 PolarHBondContact OD2-OG 3.03Å; D126-T157 PolarHBondContact OD1-OG1 2.97Å
127	K	96.6	Very high	96.4	Very high	104 Å²	104	67.1 Å²	67.1	45%	0.452	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	-30.2	168.5	-60.5	-177.6	-173.6	174.8	0	111.6	N79 M80 D81 N125 T158 A160	N79-K127 PolarHBondContact O-NZ 3.16Å; M80-K127 PolarHBondContact O-NZ 3.23Å; M80-K127 VanDerWaalsContact O-NZ 3.16Å; D81-K127 HydrophobicContact CB-CD 4.22Å; D81-K127 WeakPolarHBondContact OD2-CD 3.48Å; D81-K127 IonicContact OD2-NZ 2.94Å; D81-K127 PolarHBondContact OD2-NZ 2.82Å; N125-K127 PolarHBondContact O-N 3.04Å; K127-T158 WeakPolarHBondContact CB-O 3.26Å; K127-T158 PolarHBondContact N-O 3.2Å; K127-A160 HydrophobicContact CG-CB 4.37Å
128	K	96.6	Very high	96.3	Very high	150 Å²	150	69.2 Å²	69.2	65%	0.652	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-169.6	113.6	-175.8	-177.2	179.7	178.5	-178	0	110.5	D126 T158	D126-K128 PolarHBondContact OD1-N 3.07Å; K128-T158 PolarHBondContact O-N 3.45Å
129	S	97.1	Very high	96.2	Very high	53 Å²	53	69.1 Å²	69.1	37%	0.371	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	160.9	170.7	55	0	0	0	0	112.8	D126 T156	D126-S129 PolarHBondContact OD1-N 2.91Å; D126-S129 WeakPolarHBondContact OD2-CB 3.45Å; D126-S129 PolarHBondContact OD2-N 3.37Å; D126-S129 PolarHBondContact OD2-OG 3.03Å; S129-T156 CarbonylContact C-O 3.57Å; S129-T156 WeakPolarHBondContact CA-O 3.49Å; S129-T156 WeakPolarHBondContact CB-O 3.27Å
130	F	97.4	Very high	96.1	Very high	105 Å²	105	71.4 Å²	71.4	46%	0.461	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	145.2	169	63.2	-84.2	0	0	0	111.3	H132 T156	F130-H132 AromaticContact CE2-CE1 3.67Å; F130-H132 AromaticContact CE2-NE2 3.71Å; F130-T156 HydrophobicContact CE1-CG2 3.84Å; F130-T156 HydrophobicContact CZ-CG2 4.05Å; F130-T156 PolarHBondContact N-O 3.29Å; F130-T156 PolarHBondContact O-N 3.21Å
131	V	97.4	Very high	96.1	Very high	63 Å²	63	69 Å²	69	38%	0.382	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	135.1	166.9	-176.2	0	0	0	0	107.9	R139 L153 R154 I155	V131-R139 HydrophobicContact CG1-CG 4.44Å; V131-L153 HydrophobicContact CG1-CD2 4.29Å; V131-R154 WeakPolarHBondContact CA-O 3.48Å; V131-I155 HydrophobicContact CG2-CG1 4.49Å
132	H	96.4	Very high	96.1	Very high	34 Å²	34	71.5 Å²	71.5	16%	0.157	37%	0.371	C	S	.	.			trans	-63.9	150.9	178	-74.4	-100.6	0	0	0	111.5	F130 K137 N138 R154 T156	F130-H132 AromaticContact CE2-CE1 3.67Å; F130-H132 AromaticContact CE2-NE2 3.71Å; H132-K137 WeakPolarHBondContact O-CA 3.26Å; H132-N138 HydrophobicContact CB-CB 4Å; H132-N138 WeakPolarHBondContact CB-OD1 3.23Å; H132-N138 PolarHBondContact O-N 2.78Å; H132-N138 PolarHBondContact O-OD1 3.47Å; H132-N138 VanDerWaalsContact O-OD1 3.05Å; H132-R154 HydrophobicContact CB-CB 4.48Å; H132-R154 PolarHBondContact CD2-O 3.48Å; H132-R154 PolarHBondContact CE1-NH1 3.5Å; H132-R154 VanDerWaalsContact CG-NH1 3.34Å; H132-R154 PolarHBondContact N-O 2.91Å; H132-R154 PolarHBondContact ND1-NH1 2.94Å; H132-T156 PolarHBondContact NE2-OG1 3.28Å
133	G	94.6	Very high	96.1	Very high	45 Å²	45	68.5 Å²	68.5	46%	0.464	36%	0.359	S	S	.	.			trans	-132.5	18.1	-167.9	0	0	0	0	0	115.9	V136 N138	G133-V136 CarbonylContact C-O 3.56Å; G133-V136 WeakPolarHBondContact CA-O 3.33Å; G133-N138 PolarHBondContact N-OD1 3.4Å
134	V	94.1	Very high	96	Very high	125 Å²	125	69.6 Å²	69.6	76%	0.758	37%	0.365	S	S	*	.	S	Bend	trans	-124.2	124.5	-170.9	-176.6	0	0	0	0	110.5	V136 N138	V134-V136 VanDerWaalsContact C-N 3.28Å; V134-V136 PolarHBondContact N-O 2.88Å; V134-N138 PolarHBondContact N-OD1 3.38Å
135	T	93.9	Very high	95.9	Very high	136 Å²	136	68.6 Å²	68.6	83%	0.834	36%	0.362	S	S	*	.	S	Bend	cis	-76.2	-10.2	-7.5	49.2	0	0	0	0	113.8
136	V	95.6	Very high	95.9	Very high	84 Å²	84	70.2 Å²	70.2	51%	0.509	37%	0.371	S	S	.	.	S	Bend	trans	-137.4	168.8	175.6	-64.2	0	0	0	0	109.2	N110 G133 V134 N138	N110-V136 WeakPolarHBondContact ND2-CG2 3.29Å; G133-V136 CarbonylContact C-O 3.56Å; G133-V136 WeakPolarHBondContact CA-O 3.33Å; V134-V136 VanDerWaalsContact C-N 3.28Å; V134-V136 PolarHBondContact N-O 2.88Å; V136-N138 PolarHBondContact O-N 2.88Å; V136-N138 VanDerWaalsContact O-N 3.1Å; V136-N138 PolarHBondContact O-OD1 3Å
137	K	94.8	Very high	95.8	Very high	128 Å²	128	68.1 Å²	68.1	56%	0.557	36%	0.36	S	S	*	.			trans	-52.6	119.7	171.9	-71.3	-173.2	178.5	-179.5	0	110.2	N110 H132 R139	N110-K137 PolarHBondContact ND2-O 2.92Å; H132-K137 WeakPolarHBondContact O-CA 3.26Å; K137-R139 HydrophobicContact CB-CG 4.29Å; K137-R139 PolarHBondContact O-N 3.25Å
138	N	94.8	Very high	95.8	Very high	52 Å²	52	64.6 Å²	64.6	28%	0.278	35%	0.347	S	S	.	.			trans	-75.3	68.5	-176.3	-66.1	88.6	0	0	0	110.9	H132 G133 V134 V136 R154	H132-N138 HydrophobicContact CB-CB 4Å; H132-N138 WeakPolarHBondContact CB-OD1 3.23Å; H132-N138 PolarHBondContact O-N 2.78Å; H132-N138 PolarHBondContact O-OD1 3.47Å; H132-N138 VanDerWaalsContact O-OD1 3.05Å; G133-N138 PolarHBondContact N-OD1 3.4Å; V134-N138 PolarHBondContact N-OD1 3.38Å; V136-N138 PolarHBondContact O-N 2.88Å; V136-N138 VanDerWaalsContact O-N 3.1Å; V136-N138 PolarHBondContact O-OD1 3Å; N138-R154 HydrophobicContact CB-CB 3.82Å; N138-R154 PolarHBondContact O-N 3.07Å; N138-R154 VanDerWaalsContact O-N 3.07Å
139	R	95.8	Very high	95.9	Very high	41 Å²	41	57.5 Å²	57.5	16%	0.155	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	145.7	171.6	-40.6	-170.7	-68.9	-158.8	-6.8	109.3	N110 D114 V131 K137 Y151 G152 L153	N110-R139 HydrophobicContact CB-CB 4.3Å; N110-R139 VanDerWaalsContact CB-O 3.31Å; N110-R139 WeakPolarHBondContact CB-O 3.43Å; N110-R139 PolarHBondContact O-NE 3.47Å; N110-R139 PolarHBondContact O-NH2 2.73Å; D114-R139 IonicContact OD1-CZ 2.76Å; D114-R139 VanDerWaalsContact OD1-CZ 3.3Å; D114-R139 IonicContact OD1-NH1 2.9Å; D114-R139 PolarHBondContact OD1-NH1 2.67Å; D114-R139 IonicContact OD1-NH2 2.73Å; D114-R139 PolarHBondContact OD1-NH2 2.71Å; D114-R139 IonicContact OD2-CZ 3.47Å; D114-R139 IonicContact OD2-NH1 3.74Å; D114-R139 IonicContact OD2-NH2 3.24Å; D114-R139 PolarHBondContact OD2-NH2 3.13Å; V131-R139 HydrophobicContact CG1-CG 4.44Å; K137-R139 HydrophobicContact CB-CG 4.29Å; K137-R139 PolarHBondContact O-N 3.25Å; R139-Y151 HydrophobicContact CB-CE2 4.24Å; R139-G152 CarbonylContact C-O 3.58Å; R139-G152 VanDerWaalsContact CA-O 3.23Å; R139-G152 WeakPolarHBondContact CA-O 3.38Å; R139-L153 HydrophobicContact CB-CD2 3.92Å; R139-L153 HydrophobicContact CG-CD2 3.54Å
140	M	95.3	Very high	95.9	Very high	56 Å²	56	56.2 Å²	56.2	28%	0.276	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	142	169	58.8	171.3	-76.8	0	0	110.6	R142 L150 Y151 G152	M140-R142 HydrophobicContact CE-CB 4.36Å; M140-L150 HydrophobicContact CE-CD2 3.81Å; M140-L150 HydrophobicContact CE-CG 4.23Å; M140-Y151 WeakPolarHBondContact O-CA 3.22Å; M140-Y151 WeakPolarHBondContact O-CD2 3.5Å; M140-G152 PolarHBondContact N-O 3.03Å; M140-G152 PolarHBondContact O-N 3.1Å
141	I	96.7	Very high	95.9	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.005	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	128.9	167.2	-67.8	-72	0	0	0	107.4	L108 V112 A113 L116 L143 Y151	L108-I141 HydrophobicContact CB-CB 4.47Å; L108-I141 HydrophobicContact CB-CG2 4.31Å; L108-I141 HydrophobicContact CD1-CG2 4.43Å; L108-I141 PolarHBondContact N-O 2.97Å; V112-I141 HydrophobicContact CG1-CB 3.88Å; V112-I141 HydrophobicContact CG1-CG1 3.91Å; V112-I141 HydrophobicContact CG1-CG2 3.84Å; A113-I141 HydrophobicContact CB-CD1 4.06Å; A113-I141 HydrophobicContact CB-CG1 3.83Å; L116-I141 HydrophobicContact CD1-CG2 4.15Å; I141-L143 HydrophobicContact CG2-CD2 4.06Å; I141-L143 HydrophobicContact CG2-CG 4.34Å; I141-Y151 HydrophobicContact CD1-CD2 3.52Å; I141-Y151 HydrophobicContact CD1-CE2 4.18Å; I141-Y151 HydrophobicContact CD1-CG 4.21Å; I141-Y151 HydrophobicContact CG1-CD2 4.36Å
142	R	96.8	Very high	95.9	Very high	83 Å²	83	49.6 Å²	49.6	31%	0.313	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	122.7	168.5	176.1	179.8	-64.5	144	2.8	109.1	N105 L106 T107 M140 L150	N105-R142 HydrophobicContact CB-CG 4.14Å; L106-R142 CarbonylContact O-C 3.6Å; L106-R142 WeakPolarHBondContact O-CA 3.2Å; T107-R142 PolarHBondContact OG1-NE 3.14Å; M140-R142 HydrophobicContact CE-CB 4.36Å; R142-L150 HydrophobicContact CB-CB 4.27Å; R142-L150 PolarHBondContact N-O 3.28Å; R142-L150 PolarHBondContact O-N 2.96Å
143	L	96.3	Very high	95.9	Very high	4 Å²	4	49 Å²	49	2%	0.021	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	133.7	174.7	-54.5	-177.2	0	0	0	109.3	L44 L97 Y99 N105 L106 L108 I141 V149	L44-L143 HydrophobicContact CD1-CD1 4.2Å; L97-L143 HydrophobicContact CB-CD2 4.48Å; L97-L143 HydrophobicContact CD1-CD2 4.1Å; Y99-L143 HydrophobicContact CE1-CB 3.82Å; Y99-L143 PolarHBondContact OH-O 3.25Å; N105-L143 CarbonylContact C-O 3.54Å; L106-L143 PolarHBondContact N-O 3.42Å; L106-L143 PolarHBondContact O-N 3.29Å; L108-L143 HydrophobicContact CD1-CD1 3.64Å; L108-L143 HydrophobicContact CD1-CG 4Å; I141-L143 HydrophobicContact CG2-CD2 4.06Å; I141-L143 HydrophobicContact CG2-CG 4.34Å; L143-V149 HydrophobicContact CD2-CB 4.45Å; L143-V149 HydrophobicContact CD2-CG1 4.15Å; L143-V149 HydrophobicContact CD2-CG2 3.92Å
144	H	96.4	Very high	96.1	Very high	45 Å²	45	50.2 Å²	50.2	21%	0.208	26%	0.261	C	S	.	.			trans	-99.3	150.2	170.3	-66.3	-93.1	0	0	0	109.5	Y99 N105 D146 G147 T148	Y99-H144 WeakPolarHBondContact CE1-O 3.36Å; N105-H144 VanDerWaalsContact CG-CE1 3.5Å; N105-H144 PolarHBondContact OD1-ND1 3.14Å; H144-D146 WeakPolarHBondContact CB-OD1 3.38Å; H144-D146 PolarHBondContact O-N 3.29Å; H144-D146 VanDerWaalsContact O-N 3.12Å; H144-G147 PolarHBondContact O-N 3.23Å; H144-T148 WeakPolarHBondContact CB-O 3.2Å; H144-T148 PolarHBondContact CD2-O 3.18Å; H144-T148 PolarHBondContact N-O 2.92Å
145	P	95.1	Very high	96.2	Very high	49 Å²	49	44.8 Å²	44.8	32%	0.318	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-23.9	-172.4	23.1	-34	0	0	0	113.8	Y99 G147	Y99-P145 HydrophobicContact CD2-CB 4.04Å; Y99-P145 HydrophobicContact CE2-CB 3.75Å; Y99-P145 PolarHBondContact N-O 3.03Å; Y99-P145 WeakPolarHBondContact O-CB 3.2Å; P145-G147 PolarHBondContact O-N 2.96Å
146	D	94.9	Very high	96.4	Very high	71 Å²	71	38.8 Å²	38.8	38%	0.38	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	1.2	176.7	77.7	-46.6	0	0	0	114.2	K93 H144 T148	K93-D146 WeakPolarHBondContact CE-O 3.15Å; K93-D146 PolarHBondContact NZ-O 3.28Å; K93-D146 VanDerWaalsContact NZ-O 3.14Å; K93-D146 IonicContact NZ-OD2 3.88Å; K93-D146 PolarHBondContact NZ-OD2 2.86Å; H144-D146 WeakPolarHBondContact CB-OD1 3.38Å; H144-D146 PolarHBondContact O-N 3.29Å; H144-D146 VanDerWaalsContact O-N 3.12Å; D146-T148 VanDerWaalsContact OD1-CB 3.3Å; D146-T148 WeakPolarHBondContact OD1-CB 3.26Å; D146-T148 PolarHBondContact OD1-N 2.99Å; D146-T148 PolarHBondContact OD1-OG1 3.01Å; D146-T148 PolarHBondContact OD2-OG1 3.45Å
147	G	95.2	Very high	96.5	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.01	17%	0.167	C	C	.	.	S	Bend	trans	86	5	-174.3	0	0	0	0	0	114.6	D94 H144 P145 V149	D94-G147 PolarHBondContact N-O 3.21Å; D94-G147 WeakPolarHBondContact O-CA 3.21Å; H144-G147 PolarHBondContact O-N 3.23Å; P145-G147 PolarHBondContact O-N 2.96Å; G147-V149 PolarHBondContact O-N 3.23Å
148	T	96.9	Very high	96.7	Very high	30 Å²	30	30.1 Å²	30.1	18%	0.184	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	127.4	173.2	-63.8	0	0	0	0	110.1	S91 W92 H144 D146	S91-T148 VanDerWaalsContact OG-CG2 3.31Å; S91-T148 WeakPolarHBondContact OG-CG2 3.38Å; W92-T148 WeakPolarHBondContact O-CA 3.49Å; H144-T148 WeakPolarHBondContact CB-O 3.2Å; H144-T148 PolarHBondContact CD2-O 3.18Å; H144-T148 PolarHBondContact N-O 2.92Å; D146-T148 VanDerWaalsContact OD1-CB 3.3Å; D146-T148 WeakPolarHBondContact OD1-CB 3.26Å; D146-T148 PolarHBondContact OD1-N 2.99Å; D146-T148 PolarHBondContact OD1-OG1 3.01Å; D146-T148 PolarHBondContact OD2-OG1 3.45Å
149	V	97.6	Very high	96.8	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.006	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	138.4	174.8	-172.7	0	0	0	0	108.5	S91 W92 D94 L97 L143 G147	S91-V149 WeakPolarHBondContact CA-O 3.07Å; S91-V149 WeakPolarHBondContact CB-O 3.16Å; S91-V149 PolarHBondContact OG-O 3.18Å; W92-V149 HydrophobicContact CD2-CB 4.18Å; W92-V149 HydrophobicContact CH2-CB 4.48Å; W92-V149 HydrophobicContact CH2-CG1 3.93Å; W92-V149 HydrophobicContact CZ2-CB 3.94Å; W92-V149 HydrophobicContact CZ2-CG1 3.64Å; W92-V149 HydrophobicContact CZ2-CG2 4.32Å; W92-V149 PolarHBondContact N-O 3.44Å; W92-V149 PolarHBondContact O-N 3.4Å; D94-V149 HydrophobicContact CB-CG2 4.38Å; L97-V149 HydrophobicContact CD1-CG2 3.83Å; L143-V149 HydrophobicContact CD2-CB 4.45Å; L143-V149 HydrophobicContact CD2-CG1 4.15Å; L143-V149 HydrophobicContact CD2-CG2 3.92Å; G147-V149 PolarHBondContact O-N 3.23Å
150	L	97.3	Very high	96.9	Very high	26 Å²	26	27.2 Å²	27.2	14%	0.136	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	114	164.6	173.6	68.7	0	0	0	108.4	Q89 M140 R142	Q89-L150 HydrophobicContact CB-CD1 4.38Å; M140-L150 HydrophobicContact CE-CD2 3.81Å; M140-L150 HydrophobicContact CE-CG 4.23Å; R142-L150 HydrophobicContact CB-CB 4.27Å; R142-L150 PolarHBondContact N-O 3.28Å; R142-L150 PolarHBondContact O-N 2.96Å
151	Y	97.8	Very high	97	Very high	23 Å²	23	24.8 Å²	24.8	9%	0.09	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	126	173.7	-177.7	-138.6	0	0	0	109	Q89 Q90 W92 A113 V118 R139 M140 I141 L153	Q89-Y151 WeakPolarHBondContact CA-O 3.49Å; Q90-Y151 PolarHBondContact N-O 2.86Å; Q90-Y151 PolarHBondContact O-N 2.75Å; W92-Y151 HydrophobicContact CH2-CD1 4.29Å; W92-Y151 HydrophobicContact CH2-CG 4.22Å; W92-Y151 HydrophobicContact CZ3-CD1 4.31Å; W92-Y151 HydrophobicContact CZ3-CG 4.37Å; A113-Y151 HydrophobicContact CB-CE2 4.13Å; V118-Y151 HydrophobicContact CB-CE1 4.23Å; V118-Y151 HydrophobicContact CG1-CD1 4.39Å; V118-Y151 HydrophobicContact CG1-CE1 4.2Å; R139-Y151 HydrophobicContact CB-CE2 4.24Å; M140-Y151 WeakPolarHBondContact O-CA 3.22Å; M140-Y151 WeakPolarHBondContact O-CD2 3.5Å; I141-Y151 HydrophobicContact CD1-CD2 3.52Å; I141-Y151 HydrophobicContact CD1-CE2 4.18Å; I141-Y151 HydrophobicContact CD1-CG 4.21Å; I141-Y151 HydrophobicContact CG1-CD2 4.36Å; Y151-L153 HydrophobicContact CE1-CD1 3.88Å; Y151-L153 HydrophobicContact CE1-CD2 4.32Å; Y151-L153 HydrophobicContact CE1-CG 4.06Å; Y151-L153 HydrophobicContact CE2-CD2 3.98Å; Y151-L153 HydrophobicContact CE2-CG 4.38Å
152	G	97.5	Very high	96.8	Very high	7 Å²	7	33 Å²	33	7%	0.072	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	136	178.7	0	0	0	0	0	111.3	R139 M140	R139-G152 CarbonylContact C-O 3.58Å; R139-G152 VanDerWaalsContact CA-O 3.23Å; R139-G152 WeakPolarHBondContact CA-O 3.38Å; M140-G152 PolarHBondContact N-O 3.03Å; M140-G152 PolarHBondContact O-N 3.1Å
153	L	97.3	Very high	96.7	Very high	21 Å²	21	29.5 Å²	29.5	11%	0.11	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	140.9	179	-67.7	177.2	0	0	0	110.1	Y87 F88 V131 R139 Y151 I155	Y87-L153 CarbonylContact C-O 3.57Å; Y87-L153 WeakPolarHBondContact CA-O 3.27Å; F88-L153 HydrophobicContact CD1-CD1 4.43Å; F88-L153 PolarHBondContact N-O 3.29Å; F88-L153 PolarHBondContact O-N 3.43Å; V131-L153 HydrophobicContact CG1-CD2 4.29Å; R139-L153 HydrophobicContact CB-CD2 3.92Å; R139-L153 HydrophobicContact CG-CD2 3.54Å; Y151-L153 HydrophobicContact CE1-CD1 3.88Å; Y151-L153 HydrophobicContact CE1-CD2 4.32Å; Y151-L153 HydrophobicContact CE1-CG 4.06Å; Y151-L153 HydrophobicContact CE2-CD2 3.98Å; Y151-L153 HydrophobicContact CE2-CG 4.38Å; L153-I155 HydrophobicContact CB-CD1 3.95Å; L153-I155 HydrophobicContact CB-CG1 3.79Å; L153-I155 HydrophobicContact CD1-CD1 3.99Å
154	R	97.6	Very high	96.6	Very high	71 Å²	71	32.7 Å²	32.7	27%	0.268	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	113.1	162.7	-169.4	-178.1	178.5	-120.1	-4.8	109.1	Y87 V131 H132 N138	Y87-R154 HydrophobicContact CD1-CB 4.04Å; Y87-R154 HydrophobicContact CD1-CG 4.02Å; Y87-R154 HydrophobicContact CE1-CB 4.08Å; Y87-R154 HydrophobicContact CE1-CG 3.8Å; V131-R154 WeakPolarHBondContact CA-O 3.48Å; H132-R154 HydrophobicContact CB-CB 4.48Å; H132-R154 PolarHBondContact CD2-O 3.48Å; H132-R154 PolarHBondContact CE1-NH1 3.5Å; H132-R154 VanDerWaalsContact CG-NH1 3.34Å; H132-R154 PolarHBondContact N-O 2.91Å; H132-R154 PolarHBondContact ND1-NH1 2.94Å; N138-R154 HydrophobicContact CB-CB 3.82Å; N138-R154 PolarHBondContact O-N 3.07Å; N138-R154 VanDerWaalsContact O-N 3.07Å
155	I	97.6	Very high	96.5	Very high	10 Å²	10	30.7 Å²	30.7	5%	0.051	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	139.3	-172.8	-51.2	-178.7	0	0	0	109.3	T85 M86 F88 F123 V131 L153	T85-I155 WeakPolarHBondContact CA-O 3.47Å; M86-I155 PolarHBondContact N-O 2.64Å; M86-I155 PolarHBondContact O-N 3.08Å; F88-I155 HydrophobicContact CB-CD1 3.97Å; F88-I155 HydrophobicContact CB-CG1 4.46Å; F88-I155 HydrophobicContact CD1-CD1 3.8Å; F88-I155 HydrophobicContact CG-CD1 4.27Å; F123-I155 HydrophobicContact CE2-CD1 3.94Å; F123-I155 HydrophobicContact CE2-CG2 4.3Å; F123-I155 HydrophobicContact CZ-CD1 4.08Å; V131-I155 HydrophobicContact CG2-CG1 4.49Å; L153-I155 HydrophobicContact CB-CD1 3.95Å; L153-I155 HydrophobicContact CB-CG1 3.79Å; L153-I155 HydrophobicContact CD1-CD1 3.99Å
156	T	98.1	Very high	96.4	Very high	10 Å²	10	35.4 Å²	35.4	6%	0.061	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	131.3	156.8	-61.6	0	0	0	0	108.1	T83 L84 T85 S129 F130 H132	T83-T156 HydrophobicContact CG2-CG2 3.52Å; L84-T156 VanDerWaalsContact O-CA 3.31Å; L84-T156 WeakPolarHBondContact O-CA 3.27Å; T85-T156 WeakPolarHBondContact OG1-CG2 3.4Å; T85-T156 PolarHBondContact OG1-OG1 2.95Å; S129-T156 CarbonylContact C-O 3.57Å; S129-T156 WeakPolarHBondContact CA-O 3.49Å; S129-T156 WeakPolarHBondContact CB-O 3.27Å; F130-T156 HydrophobicContact CE1-CG2 3.84Å; F130-T156 HydrophobicContact CZ-CG2 4.05Å; F130-T156 PolarHBondContact N-O 3.29Å; F130-T156 PolarHBondContact O-N 3.21Å; H132-T156 PolarHBondContact NE2-OG1 3.28Å
157	T	97.6	Very high	96.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	136.6	177.9	168.1	0	0	0	0	109.9	T83 L84 M86 D126 L177	T83-T157 WeakPolarHBondContact CA-O 3.33Å; L84-T157 HydrophobicContact CB-CG2 4.28Å; L84-T157 PolarHBondContact N-O 3.19Å; L84-T157 PolarHBondContact O-N 3.42Å; M86-T157 HydrophobicContact CE-CG2 4.25Å; D126-T157 PolarHBondContact OD1-OG1 2.97Å; T157-L177 HydrophobicContact CG2-CD1 4.3Å
158	T	98	Very high	96.3	Very high	30 Å²	30	37.2 Å²	37.2	18%	0.184	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	96.1	168.6	-60.6	0	0	0	0	108.2	D81 Y82 T83 K127 K128	D81-T158 HydrophobicContact CB-CG2 3.8Å; Y82-T158 CarbonylContact O-C 3.53Å; Y82-T158 WeakPolarHBondContact O-CA 3.44Å; T83-T158 PolarHBondContact OG1-OG1 3.44Å; K127-T158 WeakPolarHBondContact CB-O 3.26Å; K127-T158 PolarHBondContact N-O 3.2Å; K128-T158 PolarHBondContact O-N 3.45Å
159	A	97.6	Very high	96.1	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	136	-176.4	0	0	0	0	0	111.4	D81 Y82 N125 L177	D81-A159 CarbonylContact C-O 3.45Å; D81-A159 WeakPolarHBondContact CA-O 3.45Å; D81-A159 WeakPolarHBondContact CB-O 3.4Å; Y82-A159 HydrophobicContact CD1-CB 4.28Å; Y82-A159 VanDerWaalsContact CD1-O 3.26Å; Y82-A159 WeakPolarHBondContact CD1-O 3.33Å; Y82-A159 HydrophobicContact CE1-CB 3.63Å; Y82-A159 PolarHBondContact N-O 2.99Å; Y82-A159 PolarHBondContact O-N 2.88Å; N125-A159 HydrophobicContact CB-CB 4.25Å; N125-A159 CarbonylContact O-C 3.45Å; N125-A159 WeakPolarHBondContact O-CA 3.28Å; A159-L177 HydrophobicContact CB-CD1 4.43Å
160	A	97.3	Very high	96	Very high	32 Å²	32	37.6 Å²	37.6	26%	0.264	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	138.9	173.9	0	0	0	0	0	111.4	M80 N125 K127	M80-A160 WeakPolarHBondContact O-CA 3.24Å; N125-A160 PolarHBondContact O-N 2.83Å; K127-A160 HydrophobicContact CG-CB 4.37Å
161	C	96.6	Very high	95.8	Very high	5 Å²	5	36.6 Å²	36.6	3%	0.034	17%	0.173	C	C	.	.			trans	-139.9	115.6	173.6	177.8	0	0	0	0	109.7	M80 Y82 M163 C175	M80-C161 CarbonylContact C-O 3.6Å; M80-C161 WeakPolarHBondContact CB-O 3.34Å; M80-C161 PolarHBondContact O-N 2.91Å; Y82-C161 HydrophobicContact CD1-CB 3.84Å; Y82-C161 HydrophobicContact CE1-CB 4.16Å; C161-M163 HydrophobicContact CB-CE 4.31Å; C161-M163 PolarHBondContact O-N 2.74Å; C161-C175 HydrophobicContact CB-CB 3.72Å; C161-C175 WeakPolarHBondContact CB-SG 3.49Å; C161-C175 WeakPolarHBondContact SG-CA 3.34Å; C161-C175 WeakPolarHBondContact SG-CB 3.1Å; C161-C175 CovalentContact SG-SG 2.04Å; C161-C175 PolarHBondContact SG-SG 3.29Å
162	M	93.9	Very high	95.7	Very high	173 Å²	173	39.7 Å²	39.7	85%	0.852	19%	0.189	S	C	*	.			trans	-81	102	179.1	-66	-63.7	-70.6	0	0	109.8
163	M	94	Very high	95.6	Very high	10 Å²	10	39.8 Å²	39.8	5%	0.049	19%	0.187	C	C	.	.			trans	-90.1	135.7	-174.7	-56.8	177.6	-163.4	0	0	112	V75 E77 M80 C161 L165 Q173	V75-M163 HydrophobicContact CG1-CE 3.62Å; E77-M163 HydrophobicContact CB-SD 4.48Å; E77-M163 HydrophobicContact CG-SD 4.06Å; M80-M163 HydrophobicContact SD-CB 3.77Å; M80-M163 HydrophobicContact SD-CG 4.03Å; M80-M163 HydrophobicContact SD-SD 4.5Å; C161-M163 HydrophobicContact CB-CE 4.31Å; C161-M163 PolarHBondContact O-N 2.74Å; M163-L165 HydrophobicContact CB-CD1 4.28Å; M163-L165 HydrophobicContact CB-CD2 4.36Å; M163-L165 HydrophobicContact CB-CG 4.03Å; M163-Q173 VanDerWaalsContact CA-OE1 3.24Å; M163-Q173 HydrophobicContact CB-CG 4.33Å; M163-Q173 HydrophobicContact CG-CG 4.24Å
164	D	94	Very high	95.5	Very high	72 Å²	72	43.5 Å²	43.5	39%	0.385	21%	0.207	S	C	.	.			trans	-92.4	104.8	166.3	-170.8	-19	0	0	0	109.1	R166 Q173	D164-R166 VanDerWaalsContact OD1-CB 3.22Å; D164-R166 WeakPolarHBondContact OD1-CB 3.48Å; D164-R166 VanDerWaalsContact OD1-CD 3.26Å; D164-R166 WeakPolarHBondContact OD1-CD 3.41Å; D164-R166 WeakPolarHBondContact OD1-CG 3.34Å; D164-R166 PolarHBondContact OD1-N 2.84Å; D164-R166 IonicContact OD1-NE 3.68Å; D164-R166 WeakPolarHBondContact OD2-CD 3.39Å; D164-R166 IonicContact OD2-CZ 3.85Å; D164-R166 IonicContact OD2-NE 3.9Å; D164-R166 IonicContact OD2-NH1 2.86Å; D164-R166 PolarHBondContact OD2-NH1 3.2Å; D164-Q173 PolarHBondContact O-NE2 2.94Å
165	L	94.1	Very high	95.5	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.01	20%	0.195	C	C	.	.			trans	-98.6	14.9	-175.4	-65.5	165.6	0	0	0	112.2	E77 M80 M163 R167 Y168 P298 I300 Y302	E77-L165 HydrophobicContact CB-CD1 4.05Å; E77-L165 HydrophobicContact CG-CD1 4.2Å; E77-L165 HydrophobicContact CG-CD2 4.16Å; M80-L165 HydrophobicContact CE-CD1 3.86Å; M163-L165 HydrophobicContact CB-CD1 4.28Å; M163-L165 HydrophobicContact CB-CD2 4.36Å; M163-L165 HydrophobicContact CB-CG 4.03Å; L165-R167 VanDerWaalsContact C-N 3.3Å; L165-R167 PolarHBondContact O-N 2.94Å; L165-Y168 HydrophobicContact CD2-CD2 3.71Å; L165-Y168 HydrophobicContact CD2-CG 4.33Å; L165-Y168 WeakPolarHBondContact O-CB 3.34Å; L165-Y168 PolarHBondContact O-N 3.45Å; L165-Y168 VanDerWaalsContact O-N 3.09Å; L165-P298 HydrophobicContact CD1-CG 3.96Å; L165-I300 HydrophobicContact CB-CD1 4.1Å; L165-I300 HydrophobicContact CD1-CD1 3.54Å; L165-I300 HydrophobicContact CG-CD1 4.4Å; L165-Y302 HydrophobicContact CB-CE2 4.46Å; L165-Y302 PolarHBondContact N-OH 3.22Å
166	R	93.3	Very high	95.5	Very high	149 Å²	149	41.3 Å²	41.3	56%	0.562	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-41.7	175.6	-73	166.5	-179.3	147.5	-11.9	112.2	D164 Y168 Y302 K304 A305	D164-R166 VanDerWaalsContact OD1-CB 3.22Å; D164-R166 WeakPolarHBondContact OD1-CB 3.48Å; D164-R166 VanDerWaalsContact OD1-CD 3.26Å; D164-R166 WeakPolarHBondContact OD1-CD 3.41Å; D164-R166 WeakPolarHBondContact OD1-CG 3.34Å; D164-R166 PolarHBondContact OD1-N 2.84Å; D164-R166 IonicContact OD1-NE 3.68Å; D164-R166 WeakPolarHBondContact OD2-CD 3.39Å; D164-R166 IonicContact OD2-CZ 3.85Å; D164-R166 IonicContact OD2-NE 3.9Å; D164-R166 IonicContact OD2-NH1 2.86Å; D164-R166 PolarHBondContact OD2-NH1 3.2Å; R166-Y168 VanDerWaalsContact C-N 3.33Å; R166-Y302 HydrophobicContact CB-CE2 4.36Å; R166-Y302 HydrophobicContact CG-CD2 3.68Å; R166-Y302 HydrophobicContact CG-CE2 3.63Å; R166-Y302 HydrophobicContact CG-CG 4.36Å; R166-K304 CarbonylContact O-C 3.59Å; R166-K304 WeakPolarHBondContact O-CA 3.36Å; R166-A305 PolarHBondContact O-N 3.08Å
167	R	94.1	Very high	95.5	Very high	97 Å²	97	40.9 Å²	40.9	37%	0.366	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	0.2	177	-78.3	-172.5	165.3	-123.4	1.4	114.2	L165 L170 D171 Y472 H474	L165-R167 VanDerWaalsContact C-N 3.3Å; L165-R167 PolarHBondContact O-N 2.94Å; R167-L170 CarbonylContact O-C 3.58Å; R167-L170 WeakPolarHBondContact O-CA 3.41Å; R167-L170 WeakPolarHBondContact O-CB 3.28Å; R167-L170 PolarHBondContact O-N 3.17Å; R167-D171 HydrophobicContact CB-CB 4.47Å; R167-Y472 HydrophobicContact CG-CD1 4.36Å; R167-Y472 PolarHBondContact NH1-O 3.29Å; R167-H474 PolarHBondContact NH1-OXT 2.83Å; R167-H474 PolarHBondContact NH2-OXT 3.38Å
168	Y	93.6	Very high	95.4	Very high	13 Å²	13	41.6 Å²	41.6	5%	0.051	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	133.8	-174.3	178.2	-86.4	0	0	0	113.5	L165 R166 D171 R241 F246 L297 K304 I306	L165-Y168 HydrophobicContact CD2-CD2 3.71Å; L165-Y168 HydrophobicContact CD2-CG 4.33Å; L165-Y168 WeakPolarHBondContact O-CB 3.34Å; L165-Y168 PolarHBondContact O-N 3.45Å; L165-Y168 VanDerWaalsContact O-N 3.09Å; R166-Y168 VanDerWaalsContact C-N 3.33Å; Y168-D171 WeakPolarHBondContact CA-OD1 3.43Å; Y168-R241 VanDerWaalsContact CE2-CZ 3.46Å; Y168-F246 AromaticContact CZ-CE1 3.97Å; Y168-F246 WeakPolarHBondContact OH-CE1 3.44Å; Y168-F246 VanDerWaalsContact OH-CZ 3.3Å; Y168-F246 WeakPolarHBondContact OH-CZ 3.37Å; Y168-L297 HydrophobicContact CD1-CD1 4.23Å; Y168-L297 HydrophobicContact CE1-CD1 3.67Å; Y168-L297 HydrophobicContact CE1-CD2 3.87Å; Y168-L297 HydrophobicContact CE1-CG 4.47Å; Y168-L297 HydrophobicContact CE2-CD2 4.29Å; Y168-L297 VanDerWaalsContact OH-CD2 3.26Å; Y168-L297 WeakPolarHBondContact OH-CD2 3.48Å; Y168-K304 HydrophobicContact CD1-CD 4.5Å; Y168-I306 HydrophobicContact CD1-CB 4.43Å; Y168-I306 HydrophobicContact CD1-CG2 3.9Å; Y168-I306 HydrophobicContact CE1-CD1 4.23Å; Y168-I306 HydrophobicContact CE1-CG2 4.31Å; Y168-I306 PolarHBondContact O-N 3.3Å; Y168-I306 VanDerWaalsContact O-N 3.08Å
169	P	94.3	Very high	95.4	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	cis	-95.8	24.8	3.7	38.4	-39	0	0	0	114.9	D171 R241 I243 F246 Y251 I306	P169-D171 VanDerWaalsContact C-N 3.34Å; P169-D171 VanDerWaalsContact C-OD1 3.22Å; P169-D171 VanDerWaalsContact CA-OD1 3.32Å; P169-D171 WeakPolarHBondContact CA-OD1 3.33Å; P169-R241 WeakPolarHBondContact O-CD 3.04Å; P169-I243 HydrophobicContact CB-CD1 4.25Å; P169-I243 HydrophobicContact CG-CD1 3.66Å; P169-F246 HydrophobicContact CB-CB 4.42Å; P169-F246 HydrophobicContact CB-CD1 4.23Å; P169-F246 HydrophobicContact CB-CD2 3.59Å; P169-F246 HydrophobicContact CB-CE1 4.47Å; P169-F246 HydrophobicContact CB-CE2 3.87Å; P169-F246 HydrophobicContact CB-CG 3.79Å; P169-F246 HydrophobicContact CB-CZ 4.31Å; P169-F246 HydrophobicContact CG-CB 3.88Å; P169-F246 HydrophobicContact CG-CD1 4.33Å; P169-F246 HydrophobicContact CG-CD2 3.99Å; P169-F246 HydrophobicContact CG-CG 3.77Å; P169-Y251 HydrophobicContact CG-CE2 4.16Å; P169-I306 HydrophobicContact CG-CD1 4.48Å
170	L	93.6	Very high	95.4	Very high	38 Å²	38	40.2 Å²	40.2	20%	0.199	19%	0.194	C	C	.	.	S	Bend	trans	-101.3	39.4	176.5	-67.7	164.8	0	0	0	110.8	R167 I243 W469 V473	R167-L170 CarbonylContact O-C 3.58Å; R167-L170 WeakPolarHBondContact O-CA 3.41Å; R167-L170 WeakPolarHBondContact O-CB 3.28Å; R167-L170 PolarHBondContact O-N 3.17Å; L170-I243 HydrophobicContact CD2-CB 4.36Å; L170-I243 HydrophobicContact CD2-CD1 3.66Å; L170-I243 HydrophobicContact CD2-CG1 3.79Å; L170-I243 HydrophobicContact CG-CD1 4.01Å; L170-W469 HydrophobicContact CD1-CE3 4.29Å; L170-W469 HydrophobicContact CD1-CZ3 4.05Å; L170-W469 HydrophobicContact CD2-CZ3 4.43Å; L170-V473 HydrophobicContact CD1-CG2 4.18Å; L170-V473 HydrophobicContact CD2-CG2 4.28Å
171	D	94.4	Very high	95.4	Very high	6 Å²	6	38.8 Å²	38.8	3%	0.032	18%	0.182	C	C	.	.			trans	-101.2	146.6	-172.2	54.6	-57.8	0	0	0	114.3	R167 Y168 P169 Q173 R241	R167-D171 HydrophobicContact CB-CB 4.47Å; Y168-D171 WeakPolarHBondContact CA-OD1 3.43Å; P169-D171 VanDerWaalsContact C-N 3.34Å; P169-D171 VanDerWaalsContact C-OD1 3.22Å; P169-D171 VanDerWaalsContact CA-OD1 3.32Å; P169-D171 WeakPolarHBondContact CA-OD1 3.33Å; D171-Q173 PolarHBondContact OD2-NE2 3.33Å; D171-R241 VanDerWaalsContact CG-NE 3.35Å; D171-R241 PolarHBondContact O-N 2.99Å; D171-R241 VanDerWaalsContact O-N 3.15Å; D171-R241 WeakPolarHBondContact OD1-CD 3.26Å; D171-R241 IonicContact OD1-CZ 3.72Å; D171-R241 IonicContact OD1-NE 3.57Å; D171-R241 PolarHBondContact OD1-NE 3.26Å; D171-R241 IonicContact OD1-NH2 2.88Å; D171-R241 IonicContact OD2-CZ 3.26Å; D171-R241 IonicContact OD2-NE 2.76Å; D171-R241 PolarHBondContact OD2-NE 3.08Å; D171-R241 IonicContact OD2-NH2 3.73Å; D171-R241 PolarHBondContact OD2-NH2 3.47Å
172	E	94.8	Very high	95.4	Very high	87 Å²	87	46.8 Å²	46.8	41%	0.407	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	125.4	161.9	-71.7	-172.8	-166.2	0	0	108.4	R238 L239 K240	E172-R238 VanDerWaalsContact OE2-CD 3.29Å; E172-R238 WeakPolarHBondContact OE2-CD 3.22Å; E172-R238 IonicContact OE2-NH1 3.19Å; E172-L239 CarbonylContact C-O 3.52Å; E172-L239 WeakPolarHBondContact CA-O 3.21Å; E172-K240 HydrophobicContact CG-CB 3.97Å; E172-K240 HydrophobicContact CG-CD 4.45Å; E172-K240 HydrophobicContact CG-CG 3.85Å; E172-K240 IonicContact OE1-NZ 2.8Å; E172-K240 PolarHBondContact OE1-NZ 3.4Å
173	Q	95.9	Very high	95.5	Very high	9 Å²	9	40.7 Å²	40.7	4%	0.042	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	148.4	179	-56.8	-58.1	-22	0	0	110.4	M163 D164 D171 R238 L239	M163-Q173 VanDerWaalsContact CA-OE1 3.24Å; M163-Q173 HydrophobicContact CB-CG 4.33Å; M163-Q173 HydrophobicContact CG-CG 4.24Å; D164-Q173 PolarHBondContact O-NE2 2.94Å; D171-Q173 PolarHBondContact OD2-NE2 3.33Å; Q173-R238 WeakPolarHBondContact O-CA 3.48Å; Q173-L239 PolarHBondContact N-O 3.24Å; Q173-L239 PolarHBondContact O-N 2.94Å
174	N	96.3	Very high	95.6	Very high	99 Å²	99	42.7 Å²	42.7	53%	0.529	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	98.8	176.4	-175.7	25.2	0	0	0	109.5	S236 F237	N174-S236 WeakPolarHBondContact OD1-CB 3.42Å; N174-F237 WeakPolarHBondContact CA-O 3.33Å
175	C	96.9	Very high	95.8	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.007	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	128	-177.5	-65	0	0	0	0	110.7	Y82 C161 F237	Y82-C175 HydrophobicContact CD1-CB 3.9Å; Y82-C175 HydrophobicContact CE1-CB 3.71Å; C161-C175 HydrophobicContact CB-CB 3.72Å; C161-C175 WeakPolarHBondContact CB-SG 3.49Å; C161-C175 WeakPolarHBondContact SG-CA 3.34Å; C161-C175 WeakPolarHBondContact SG-CB 3.1Å; C161-C175 CovalentContact SG-SG 2.04Å; C161-C175 PolarHBondContact SG-SG 3.29Å; C175-F237 PolarHBondContact N-O 3.22Å; C175-F237 PolarHBondContact O-N 2.84Å
176	T	97	Very high	95.9	Very high	35 Å²	35	41 Å²	41	22%	0.215	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	146.8	-177.1	66.1	0	0	0	0	112.9	Y82 N125 L235	Y82-T176 PolarHBondContact OH-O 3.2Å; N125-T176 PolarHBondContact ND2-O 3.09Å; N125-T176 PolarHBondContact ND2-OG1 3.36Å; N125-T176 VanDerWaalsContact ND2-OG1 3.09Å; T176-L235 CarbonylContact C-O 3.49Å; T176-L235 WeakPolarHBondContact CA-O 3.43Å
177	L	97.4	Very high	96.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	110	161.4	-178.3	72.7	0	0	0	107	I67 Y82 L84 M86 F123 T157 A159 I179 S234 L235	I67-L177 HydrophobicContact CD1-CD2 4.39Å; Y82-L177 PolarHBondContact OH-N 2.68Å; L84-L177 HydrophobicContact CD2-CD2 3.9Å; M86-L177 HydrophobicContact CE-CD2 3.89Å; M86-L177 HydrophobicContact SD-CD2 4.02Å; F123-L177 HydrophobicContact CB-CD1 4.39Å; F123-L177 HydrophobicContact CD1-CD1 3.84Å; F123-L177 HydrophobicContact CD1-CD2 4.45Å; F123-L177 HydrophobicContact CD1-CG 4.21Å; F123-L177 HydrophobicContact CE1-CD1 4.43Å; F123-L177 HydrophobicContact CE1-CD2 4.31Å; F123-L177 HydrophobicContact CG-CD1 4.19Å; T157-L177 HydrophobicContact CG2-CD1 4.3Å; A159-L177 HydrophobicContact CB-CD1 4.43Å; L177-I179 HydrophobicContact CD2-CD1 4.24Å; L177-I179 HydrophobicContact CD2-CG1 4.35Å; L177-I179 HydrophobicContact CG-CG1 4.19Å; L177-S234 WeakPolarHBondContact O-CA 3.31Å; L177-L235 HydrophobicContact CB-CB 4.48Å; L177-L235 PolarHBondContact N-O 3.07Å; L177-L235 PolarHBondContact O-N 2.73Å
178	E	97.1	Very high	96.2	Very high	16 Å²	16	37.3 Å²	37.3	8%	0.075	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	124.7	-179.7	-65.2	-78.7	149.1	0	0	108.8	F123 L124 K221 R232 S234	F123-E178 CarbonylContact C-O 3.55Å; F123-E178 WeakPolarHBondContact CA-O 3.27Å; L124-E178 HydrophobicContact CB-CB 4.01Å; L124-E178 PolarHBondContact N-O 2.82Å; E178-K221 IonicContact OE1-NZ 2.74Å; E178-K221 PolarHBondContact OE1-NZ 3.37Å; E178-K221 WeakPolarHBondContact OE2-CE 3.46Å; E178-K221 IonicContact OE2-NZ 3.6Å; E178-K221 PolarHBondContact OE2-NZ 2.82Å; E178-R232 WeakPolarHBondContact OE2-CD 3.34Å; E178-S234 WeakPolarHBondContact OE1-CB 3.29Å; E178-S234 PolarHBondContact OE1-OG 3.28Å
179	I	98	Very high	96.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	125.2	-170.4	-43.4	168.8	0	0	0	109.2	M65 I67 F88 F123 L177 W193 R232 L233	M65-I179 HydrophobicContact CE-CG2 4.21Å; M65-I179 HydrophobicContact SD-CG2 3.83Å; I67-I179 HydrophobicContact CD1-CD1 3.93Å; F88-I179 HydrophobicContact CE2-CD1 4.26Å; F88-I179 HydrophobicContact CE2-CG2 4.38Å; F88-I179 HydrophobicContact CZ-CG2 4Å; F123-I179 HydrophobicContact CD1-CB 4.39Å; F123-I179 HydrophobicContact CD1-CG1 3.89Å; F123-I179 HydrophobicContact CD1-CG2 4.17Å; F123-I179 HydrophobicContact CE1-CB 4.48Å; F123-I179 HydrophobicContact CE1-CD1 4.31Å; F123-I179 HydrophobicContact CE1-CG1 3.9Å; F123-I179 HydrophobicContact CE1-CG2 3.98Å; L177-I179 HydrophobicContact CD2-CD1 4.24Å; L177-I179 HydrophobicContact CD2-CG1 4.35Å; L177-I179 HydrophobicContact CG-CG1 4.19Å; I179-W193 HydrophobicContact CD1-CH2 4.17Å; I179-R232 CarbonylContact O-C 3.53Å; I179-R232 WeakPolarHBondContact O-CA 3.36Å; I179-R232 WeakPolarHBondContact O-CG 3.41Å; I179-L233 HydrophobicContact CB-CB 4.43Å; I179-L233 PolarHBondContact N-O 2.89Å; I179-L233 PolarHBondContact O-N 3.11Å
180	E	97.6	Very high	96.5	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	156.6	-168	-175.1	159.9	-104.7	0	0	112.3	T121 Y122 V223 R232	T121-E180 CarbonylContact C-O 3.5Å; T121-E180 VanDerWaalsContact CA-O 3.29Å; T121-E180 WeakPolarHBondContact CA-O 3.47Å; Y122-E180 HydrophobicContact CD1-CB 4.24Å; Y122-E180 VanDerWaalsContact CD1-O 3.27Å; Y122-E180 WeakPolarHBondContact CD1-O 3.35Å; Y122-E180 HydrophobicContact CE1-CB 3.64Å; Y122-E180 HydrophobicContact CE1-CG 3.8Å; Y122-E180 PolarHBondContact N-O 3.39Å; Y122-E180 PolarHBondContact O-N 2.76Å; Y122-E180 PolarHBondContact OH-OE2 2.83Å; E180-V223 WeakPolarHBondContact OE1-CG2 3.38Å; E180-R232 HydrophobicContact CB-CG 4.21Å; E180-R232 VanDerWaalsContact CD-NE 3.32Å; E180-R232 IonicContact OE1-CZ 2.74Å; E180-R232 IonicContact OE1-NE 2.68Å; E180-R232 PolarHBondContact OE1-NE 3.01Å; E180-R232 IonicContact OE1-NH2 3.37Å; E180-R232 PolarHBondContact OE1-NH2 3.47Å; E180-R232 IonicContact OE2-CZ 3.84Å; E180-R232 IonicContact OE2-NE 2.68Å; E180-R232 IonicContact OE2-NH2 3.96Å; E180-R232 PolarHBondContact OE2-NH2 3.19Å
181	S	97.4	Very high	96.7	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.007	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	139.6	168.5	175	0	0	0	0	109.7	D120 Y184 Y230	D120-S181 WeakPolarHBondContact OD1-CB 3.37Å; D120-S181 PolarHBondContact OD1-OG 2.76Å; S181-Y184 PolarHBondContact OG-N 3.49Å; S181-Y184 PolarHBondContact OG-O 3.06Å; S181-Y230 WeakPolarHBondContact O-CD1 3.46Å
182	Y	96.1	Very high	96.8	Very high	173 Å²	173	43 Å²	43	68%	0.678	22%	0.216	S	C	*	.	S	Bend	trans	-84	-46.4	-174.9	-172.7	-102.3	0	0	0	113.4	D120 Y122	D120-Y182 PolarHBondContact O-N 2.64Å; D120-Y182 PolarHBondContact OD1-N 3.26Å; D120-Y182 PolarHBondContact OD2-N 3.06Å; Y122-Y182 HydrophobicContact CD1-CD2 4.1Å; Y122-Y182 HydrophobicContact CE1-CD2 4.05Å; Y122-Y182 HydrophobicContact CG-CD2 4.49Å
183	G	95.4	Very high	96.9	Very high	46 Å²	46	40.2 Å²	40.2	47%	0.474	20%	0.201	S	C	.	.	S	Bend	trans	-108	-30.2	-174.2	0	0	0	0	0	114.9	D120	D120-G183 WeakPolarHBondContact OD2-CA 3.48Å; D120-G183 PolarHBondContact OD2-N 3.5Å
184	Y	97.1	Very high	96.7	Very high	51 Å²	51	42.7 Å²	42.7	20%	0.2	22%	0.215	C	C	.	.			trans	-89.8	129.7	-176.5	-58.9	-78.8	0	0	0	111.6	R53 W117 S181 D188 Y230	R53-Y184 HydrophobicContact CB-CE1 4.25Å; R53-Y184 HydrophobicContact CG-CE1 4.45Å; W117-Y184 HydrophobicContact CZ2-CE2 4.07Å; W117-Y184 AromaticContact NE1-CZ 3.74Å; W117-Y184 PolarHBondContact NE1-OH 3.32Å; S181-Y184 PolarHBondContact OG-N 3.49Å; S181-Y184 PolarHBondContact OG-O 3.06Å; Y184-D188 HydrophobicContact CD1-CB 3.79Å; Y184-D188 HydrophobicContact CG-CB 4.26Å; Y184-Y230 VanDerWaalsContact O-CD1 3.29Å; Y184-Y230 WeakPolarHBondContact O-CD1 3.32Å
185	T	97.4	Very high	96.1	Very high	27 Å²	27	40.5 Å²	40.5	17%	0.166	22%	0.216	C	C	.	.			trans	-79.5	175.1	174.3	62.9	0	0	0	0	111.2	D187 D188 I189 A229	T185-D187 PolarHBondContact O-N 3.16Å; T185-D187 PolarHBondContact OG1-N 3.28Å; T185-D188 PolarHBondContact O-N 3.31Å; T185-I189 PolarHBondContact O-N 3.32Å; T185-A229 CarbonylContact C-O 3.53Å; T185-A229 WeakPolarHBondContact CA-O 3.38Å; T185-A229 WeakPolarHBondContact CB-O 3.48Å
186	T	96.6	Very high	95.5	Very high	13 Å²	13	42.4 Å²	42.4	8%	0.08	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-12.4	174.4	54.2	0	0	0	0	114.9	I189 K222 A229 P231	T186-I189 WeakPolarHBondContact CA-O 3.46Å; T186-K222 HydrophobicContact CG2-CB 4.5Å; T186-K222 HydrophobicContact CG2-CD 3.76Å; T186-K222 HydrophobicContact CG2-CG 3.9Å; T186-A229 HydrophobicContact CG2-CB 4.41Å; T186-A229 PolarHBondContact N-O 3.25Å; T186-P231 HydrophobicContact CG2-CB 4.27Å; T186-P231 HydrophobicContact CG2-CG 4.47Å
187	D	96.2	Very high	94.8	Very high	119 Å²	119	49 Å²	49	64%	0.636	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-18.3	177.2	-49.2	-35.7	0	0	0	111.5	T185	T185-D187 PolarHBondContact O-N 3.16Å; T185-D187 PolarHBondContact OG1-N 3.28Å
188	D	97.1	Very high	94.4	Very high	49 Å²	49	50.7 Å²	50.7	26%	0.262	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	-28.9	179.1	-83.8	-35.5	0	0	0	113.7	R53 P60 V61 Y184 T185	R53-D188 WeakPolarHBondContact CD-O 3.28Å; R53-D188 IonicContact CZ-OD1 2.88Å; R53-D188 IonicContact NE-OD1 3.74Å; R53-D188 PolarHBondContact NE-OD1 3.49Å; R53-D188 IonicContact NH2-OD1 3.32Å; R53-D188 PolarHBondContact NH2-OD1 3.45Å; P60-D188 WeakPolarHBondContact CA-O 3.46Å; V61-D188 PolarHBondContact N-O 2.97Å; Y184-D188 HydrophobicContact CD1-CB 3.79Å; Y184-D188 HydrophobicContact CG-CB 4.26Å; T185-D188 PolarHBondContact O-N 3.31Å
189	I	97.6	Very high	94.2	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	139.2	-175.5	-158.7	163.8	0	0	0	111.6	V61 V63 W117 P119 T185 T186 F191 P231	V61-I189 HydrophobicContact CG1-CB 4.34Å; V61-I189 HydrophobicContact CG1-CD1 4.24Å; V61-I189 HydrophobicContact CG1-CG1 3.85Å; V63-I189 HydrophobicContact CG2-CD1 3.87Å; V63-I189 HydrophobicContact CG2-CG1 3.82Å; W117-I189 HydrophobicContact CH2-CD1 4.25Å; P119-I189 HydrophobicContact CB-CD1 4.28Å; T185-I189 PolarHBondContact O-N 3.32Å; T186-I189 WeakPolarHBondContact CA-O 3.46Å; I189-F191 HydrophobicContact CD1-CE1 3.66Å; I189-F191 HydrophobicContact CD1-CZ 4.32Å; I189-F191 HydrophobicContact CG1-CD1 4.25Å; I189-F191 HydrophobicContact CG1-CE1 3.75Å; I189-F191 HydrophobicContact CG2-CE1 4.43Å; I189-P231 HydrophobicContact CG2-CG 3.84Å
190	E	97.1	Very high	94.1	Very high	66 Å²	66	50 Å²	50	31%	0.308	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	141.2	172.2	-68.4	-131.3	122	0	0	111.1	P60 V61 V63 K222	P60-E190 HydrophobicContact CB-CG 4.11Å; P60-E190 HydrophobicContact CG-CG 4.02Å; V61-E190 PolarHBondContact O-N 3.08Å; V63-E190 PolarHBondContact N-O 2.98Å; E190-K222 WeakPolarHBondContact OE1-CE 3.41Å; E190-K222 IonicContact OE1-NZ 3.6Å; E190-K222 PolarHBondContact OE1-NZ 2.92Å
191	F	97.4	Very high	94	Very high	11 Å²	11	52.2 Å²	52.2	5%	0.048	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	134.2	-177.8	-66.5	-15.8	0	0	0	112.7	V63 M65 T121 I189 S220 P231 L233	V63-F191 HydrophobicContact CB-CD1 3.95Å; V63-F191 HydrophobicContact CB-CE1 4.11Å; V63-F191 HydrophobicContact CG2-CE1 4.4Å; M65-F191 HydrophobicContact CE-CB 4.39Å; M65-F191 HydrophobicContact CE-CD1 3.66Å; M65-F191 HydrophobicContact CE-CD2 3.5Å; M65-F191 HydrophobicContact CE-CE1 3.62Å; M65-F191 HydrophobicContact CE-CE2 3.45Å; M65-F191 VanDerWaalsContact CE-CE2 3.45Å; M65-F191 HydrophobicContact CE-CG 3.61Å; M65-F191 HydrophobicContact CE-CZ 3.53Å; T121-F191 HydrophobicContact CG2-CE1 4.2Å; T121-F191 HydrophobicContact CG2-CE2 4.19Å; T121-F191 HydrophobicContact CG2-CZ 3.55Å; I189-F191 HydrophobicContact CD1-CE1 3.66Å; I189-F191 HydrophobicContact CD1-CZ 4.32Å; I189-F191 HydrophobicContact CG1-CD1 4.25Å; I189-F191 HydrophobicContact CG1-CE1 3.75Å; I189-F191 HydrophobicContact CG2-CE1 4.43Å; F191-S220 PolarHBondContact O-OG 2.85Å; F191-P231 HydrophobicContact CB-CB 4.13Å; F191-P231 HydrophobicContact CD1-CG 4.36Å; F191-P231 HydrophobicContact CD2-CB 4.02Å; F191-P231 HydrophobicContact CD2-CG 3.94Å; F191-P231 WeakPolarHBondContact CD2-O 3.39Å; F191-P231 HydrophobicContact CE2-CG 4.19Å; F191-P231 HydrophobicContact CG-CB 4.03Å; F191-P231 HydrophobicContact CG-CG 4.04Å; F191-P231 HydrophobicContact CZ-CG 4.49Å; F191-L233 HydrophobicContact CB-CD1 4.11Å; F191-L233 HydrophobicContact CB-CD2 3.96Å; F191-L233 HydrophobicContact CB-CG 3.8Å; F191-L233 HydrophobicContact CD2-CG 4.45Å
192	Y	96.7	Very high	93.7	Very high	99 Å²	99	52.8 Å²	52.8	39%	0.388	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	156.5	176	69.5	-83.5	0	0	0	112.7	D62 V63 G64 M65 N194	D62-Y192 HydrophobicContact CB-CE1 4.05Å; V63-Y192 PolarHBondContact O-N 3.12Å; G64-Y192 WeakPolarHBondContact CA-O 3.34Å; M65-Y192 PolarHBondContact N-O 3.47Å; Y192-N194 HydrophobicContact CE2-CB 4.07Å; Y192-N194 PolarHBondContact O-N 3.37Å
193	W	96.8	Very high	93.4	Very high	29 Å²	29	45 Å²	45	11%	0.11	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	106.4	175.8	-72.2	108.5	0	0	0	110.4	I67 I179 G195 G196 A199 V200 M218 V219 L233 L235	I67-W193 HydrophobicContact CD1-CH2 3.83Å; I67-W193 HydrophobicContact CD1-CZ3 3.81Å; I67-W193 HydrophobicContact CG1-CZ3 4.15Å; I179-W193 HydrophobicContact CD1-CH2 4.17Å; W193-G195 PolarHBondContact O-N 2.76Å; W193-G195 VanDerWaalsContact O-N 3.08Å; W193-G196 PolarHBondContact O-N 3.49Å; W193-A199 HydrophobicContact CB-CB 3.81Å; W193-A199 HydrophobicContact CE3-CB 4.05Å; W193-V200 HydrophobicContact CE3-CG2 4.19Å; W193-V200 HydrophobicContact CH2-CG2 4.21Å; W193-V200 HydrophobicContact CZ3-CG2 3.71Å; W193-M218 HydrophobicContact CD2-CB 4.17Å; W193-M218 HydrophobicContact CD2-CG 4.04Å; W193-M218 HydrophobicContact CD2-SD 3.98Å; W193-M218 HydrophobicContact CE3-CG 4.38Å; W193-M218 HydrophobicContact CE3-SD 4.01Å; W193-M218 HydrophobicContact CG-CB 4.21Å; W193-M218 HydrophobicContact CG-CG 4.48Å; W193-M218 HydrophobicContact CG-SD 4.25Å; W193-M218 HydrophobicContact CH2-CG 4.49Å; W193-M218 HydrophobicContact CZ2-CB 4.38Å; W193-M218 HydrophobicContact CZ2-CG 4.15Å; W193-V219 PolarHBondContact NE1-O 2.89Å; W193-L233 HydrophobicContact CD2-CD1 4.03Å; W193-L233 HydrophobicContact CE3-CD1 4.41Å; W193-L233 HydrophobicContact CG-CD1 4.4Å; W193-L233 HydrophobicContact CH2-CB 4.45Å; W193-L233 HydrophobicContact CZ2-CB 3.72Å; W193-L233 HydrophobicContact CZ2-CD1 4.28Å; W193-L235 HydrophobicContact CH2-CB 4.05Å; W193-L235 HydrophobicContact CZ2-CB 4.29Å
194	N	92.4	Very high	92.9	Very high	60 Å²	60	50.1 Å²	50.1	32%	0.321	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	98.1	-173	-170.8	-1.3	0	0	0	111.4	M65 Y192 A199	M65-N194 WeakPolarHBondContact O-CB 3.39Å; M65-N194 PolarHBondContact O-N 3Å; Y192-N194 HydrophobicContact CE2-CB 4.07Å; Y192-N194 PolarHBondContact O-N 3.37Å; N194-A199 WeakPolarHBondContact O-CB 3.25Å
195	G	82.4	Confident	92.4	Very high	54 Å²	54	56.3 Å²	56.3	56%	0.557	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	114.7	5	-175.4	0	0	0	0	0	114.8	W193 E197 G198	W193-G195 PolarHBondContact O-N 2.76Å; W193-G195 VanDerWaalsContact O-N 3.08Å; G195-E197 PolarHBondContact O-N 3.5Å; G195-G198 PolarHBondContact O-N 3.47Å
196	G	85.1	Confident	92.1	Very high	41 Å²	41	56.2 Å²	56.2	42%	0.423	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	59.8	-124.6	179.6	0	0	0	0	0	111.6	W193 G198 A199 M218	W193-G196 PolarHBondContact O-N 3.49Å; G196-G198 PolarHBondContact O-N 2.72Å; G196-A199 WeakPolarHBondContact O-CB 3.39Å; G196-A199 PolarHBondContact O-N 3.21Å; G196-M218 WeakPolarHBondContact O-CE 3.11Å
197	E	82.1	Confident	91.4	Very high	174 Å²	174	64.6 Å²	64.6	81%	0.813	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-56.8	-28.3	174.1	-63.8	-174.7	167.4	0	0	113.1	G195 A199	G195-E197 PolarHBondContact O-N 3.5Å; E197-A199 VanDerWaalsContact C-N 3.33Å; E197-A199 PolarHBondContact O-N 3.09Å
198	G	89	Confident	91.1	Very high	35 Å²	35	60 Å²	60	36%	0.361	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-84.6	4.3	176.7	0	0	0	0	0	115.5	R66 G195 G196 V200	R66-G198 PolarHBondContact NH2-O 2.99Å; G195-G198 PolarHBondContact O-N 3.47Å; G196-G198 PolarHBondContact O-N 2.72Å; G198-V200 VanDerWaalsContact C-N 3.35Å
199	A	93.8	Very high	90.6	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-77.9	-17.6	-178.7	0	0	0	0	0	113.8	R66 I67 W193 N194 G196 E197 M218	R66-A199 WeakPolarHBondContact CA-O 3.35Å; R66-A199 VanDerWaalsContact CG-O 3.31Å; R66-A199 WeakPolarHBondContact CG-O 3.25Å; I67-A199 PolarHBondContact N-O 3.45Å; W193-A199 HydrophobicContact CB-CB 3.81Å; W193-A199 HydrophobicContact CE3-CB 4.05Å; N194-A199 WeakPolarHBondContact O-CB 3.25Å; G196-A199 WeakPolarHBondContact O-CB 3.39Å; G196-A199 PolarHBondContact O-N 3.21Å; E197-A199 VanDerWaalsContact C-N 3.33Å; E197-A199 PolarHBondContact O-N 3.09Å; A199-M218 HydrophobicContact CB-SD 4.05Å
200	V	95.4	Very high	90.2	Very high	2 Å²	2	67.3 Å²	67.3	1%	0.012	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	119.3	172.9	171.4	0	0	0	0	109.1	I67 W193 G198 V203 Y216 M218 L235	I67-V200 HydrophobicContact CB-CG2 4.24Å; I67-V200 CarbonylContact O-C 3.55Å; I67-V200 VanDerWaalsContact O-CA 3.31Å; I67-V200 WeakPolarHBondContact O-CA 3.45Å; W193-V200 HydrophobicContact CE3-CG2 4.19Å; W193-V200 HydrophobicContact CH2-CG2 4.21Å; W193-V200 HydrophobicContact CZ3-CG2 3.71Å; G198-V200 VanDerWaalsContact C-N 3.35Å; V200-V203 HydrophobicContact CG1-CG2 3.71Å; V200-Y216 HydrophobicContact CB-CD2 4.45Å; V200-Y216 HydrophobicContact CB-CE2 3.92Å; V200-Y216 HydrophobicContact CG1-CD2 4.09Å; V200-Y216 HydrophobicContact CG1-CE2 3.87Å; V200-M218 HydrophobicContact CB-SD 3.81Å; V200-M218 HydrophobicContact CG2-CG 3.83Å; V200-M218 HydrophobicContact CG2-SD 3.39Å; V200-M218 WeakPolarHBondContact CG2-SD 3.47Å; V200-L235 HydrophobicContact CG1-CD1 4.23Å; V200-L235 HydrophobicContact CG1-CD2 4.03Å; V200-L235 HydrophobicContact CG2-CD1 4.16Å; V200-L235 HydrophobicContact CG2-CD2 3.95Å
201	T	94.5	Very high	90	Very high	46 Å²	46	64.5 Å²	64.5	28%	0.282	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	175.5	179.4	54.7	0	0	0	0	111.8	I67 D68 V69 V203	I67-T201 PolarHBondContact O-N 3.49Å; D68-T201 WeakPolarHBondContact CB-OG1 3.39Å; D68-T201 VanDerWaalsContact OD1-CB 3.24Å; D68-T201 WeakPolarHBondContact OD1-CB 3.31Å; D68-T201 PolarHBondContact OD1-OG1 2.91Å; V69-T201 PolarHBondContact N-O 3.46Å; T201-V203 VanDerWaalsContact C-N 3.27Å; T201-V203 PolarHBondContact O-N 2.89Å
202	G	91	Very high	89.8	Confident	14 Å²	14	66.2 Å²	66.2	14%	0.144	37%	0.368	C	S	.	.	S	Bend	trans	86.1	-31.5	179.9	0	0	0	0	0	115.1	D68 V69 N204 K205	D68-G202 PolarHBondContact OD1-N 3.35Å; V69-G202 WeakPolarHBondContact O-CA 3.24Å; G202-N204 VanDerWaalsContact C-N 3.31Å; G202-N204 PolarHBondContact O-N 2.97Å; G202-N204 VanDerWaalsContact O-N 3.09Å; G202-K205 WeakPolarHBondContact O-CB 3.23Å; G202-K205 PolarHBondContact O-N 2.84Å
203	V	90.8	Very high	89.7	Confident	8 Å²	8	63.3 Å²	63.3	5%	0.048	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-47.3	-45.4	-173.1	-171.1	0	0	0	0	114.2	V69 V200 T201 K205 I206 I213 Y216 F237	V69-V203 HydrophobicContact CG2-CG2 4.34Å; V200-V203 HydrophobicContact CG1-CG2 3.71Å; T201-V203 VanDerWaalsContact C-N 3.27Å; T201-V203 PolarHBondContact O-N 2.89Å; V203-K205 PolarHBondContact O-N 3.09Å; V203-I206 WeakPolarHBondContact O-CG1 3.39Å; V203-I206 PolarHBondContact O-N 3.22Å; V203-I206 VanDerWaalsContact O-N 3.11Å; V203-I213 HydrophobicContact CG1-CD1 3.93Å; V203-I213 HydrophobicContact CG1-CG2 3.97Å; V203-Y216 HydrophobicContact CB-CD1 4.16Å; V203-Y216 HydrophobicContact CB-CE1 4.24Å; V203-Y216 HydrophobicContact CG1-CD1 3.82Å; V203-Y216 HydrophobicContact CG1-CE1 4.36Å; V203-Y216 HydrophobicContact CG1-CG 4.34Å; V203-Y216 HydrophobicContact CG2-CD1 4.24Å; V203-Y216 HydrophobicContact CG2-CE1 4.36Å; V203-Y216 HydrophobicContact CG2-CG 4.35Å; V203-F237 HydrophobicContact CG2-CE1 4.22Å
204	N	85.2	Confident	89.5	Confident	155 Å²	155	65.6 Å²	65.6	83%	0.829	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-67.9	-3	-178.6	-60.2	8.6	0	0	0	114.6	G202	G202-N204 VanDerWaalsContact C-N 3.31Å; G202-N204 PolarHBondContact O-N 2.97Å; G202-N204 VanDerWaalsContact O-N 3.09Å
205	K	86.6	Confident	89.5	Confident	181 Å²	181	65 Å²	65	79%	0.787	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-106.2	-0.3	176.8	-56.6	176.2	-179.2	172.6	0	112.9	G202 V203 E207	G202-K205 WeakPolarHBondContact O-CB 3.23Å; G202-K205 PolarHBondContact O-N 2.84Å; V203-K205 PolarHBondContact O-N 3.09Å; K205-E207 PolarHBondContact O-N 2.97Å
206	I	89.6	Confident	90	Very high	25 Å²	25	65.4 Å²	65.4	13%	0.128	36%	0.358	C	S	.	.			trans	-88.6	104.9	-174.4	-53.6	173.3	0	0	0	109.4	V69 I72 V203 L208 I213	V69-I206 HydrophobicContact CB-CD1 3.98Å; V69-I206 HydrophobicContact CG1-CD1 3.4Å; V69-I206 HydrophobicContact CG1-CG1 4.44Å; I72-I206 HydrophobicContact CB-CG2 4.23Å; I72-I206 HydrophobicContact CD1-CD1 4.31Å; I72-I206 HydrophobicContact CD1-CG2 4.47Å; I72-I206 HydrophobicContact CG1-CD1 4.29Å; I72-I206 HydrophobicContact CG1-CG2 4.37Å; V203-I206 WeakPolarHBondContact O-CG1 3.39Å; V203-I206 PolarHBondContact O-N 3.22Å; V203-I206 VanDerWaalsContact O-N 3.11Å; I206-L208 HydrophobicContact CG2-CG 4.25Å; I206-I213 HydrophobicContact CB-CD1 3.86Å; I206-I213 HydrophobicContact CD1-CD1 3.97Å; I206-I213 HydrophobicContact CG1-CD1 4.48Å; I206-I213 HydrophobicContact CG2-CD1 4.05Å
207	E	82.4	Confident	90.5	Very high	189 Å²	189	68.6 Å²	68.6	88%	0.883	36%	0.36	S	S	*	.			trans	-92.4	118.3	169.6	-66.1	-176.7	-178.9	0	0	109.8	K205	K205-E207 PolarHBondContact O-N 2.97Å
208	L	89	Confident	91.1	Very high	21 Å²	21	62.7 Å²	62.7	11%	0.11	33%	0.333	C	S	.	.			trans	-105	136.5	174.1	-79.1	166.9	0	0	0	109.7	I72 I206 Q210 F211 I213 L239	I72-L208 HydrophobicContact CB-CD1 4.33Å; I72-L208 HydrophobicContact CB-CD2 4.1Å; I72-L208 HydrophobicContact CD1-CD1 4.38Å; I72-L208 HydrophobicContact CG2-CD1 4.25Å; I72-L208 HydrophobicContact CG2-CD2 3.99Å; I72-L208 WeakPolarHBondContact O-CD2 3.48Å; I206-L208 HydrophobicContact CG2-CG 4.25Å; L208-Q210 PolarHBondContact O-N 2.96Å; L208-F211 HydrophobicContact CB-CB 4.09Å; L208-F211 WeakPolarHBondContact CB-O 3.47Å; L208-F211 HydrophobicContact CD1-CB 4.09Å; L208-I213 HydrophobicContact CD1-CG1 4.49Å; L208-L239 HydrophobicContact CD1-CD2 4.3Å
209	P	87.7	Confident	91.4	Very high	122 Å²	122	64.3 Å²	64.3	79%	0.792	34%	0.336	S	S	*	.	S	Bend	trans	-70.2	-32.2	-175.1	26.1	-34	0	0	0	113.2
210	Q	89.1	Confident	91.4	Very high	82 Å²	82	67.7 Å²	67.7	38%	0.383	36%	0.359	S	S	.	.	S	Bend	trans	-108.4	-8.8	-175.7	-69.5	-179.6	-24.1	0	0	114.1	L208 N242	L208-Q210 PolarHBondContact O-N 2.96Å; Q210-N242 PolarHBondContact O-N 2.67Å
211	F	93.1	Very high	91.4	Very high	6 Å²	6	70.9 Å²	70.9	3%	0.026	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	162	-174.5	-68.2	-89.3	0	0	0	111.3	V75 E77 L208 L239 K240 R241 N242	V75-F211 HydrophobicContact CB-CD2 4.26Å; V75-F211 HydrophobicContact CB-CE2 3.75Å; V75-F211 HydrophobicContact CB-CZ 4.37Å; V75-F211 HydrophobicContact CG1-CE2 3.79Å; V75-F211 HydrophobicContact CG1-CZ 3.89Å; V75-F211 HydrophobicContact CG2-CD2 4.28Å; V75-F211 HydrophobicContact CG2-CE2 4.24Å; E77-F211 WeakPolarHBondContact OE1-CZ 3.27Å; L208-F211 HydrophobicContact CB-CB 4.09Å; L208-F211 WeakPolarHBondContact CB-O 3.47Å; L208-F211 HydrophobicContact CD1-CB 4.09Å; F211-L239 HydrophobicContact CD1-CB 3.93Å; F211-L239 HydrophobicContact CE1-CB 4.47Å; F211-K240 CarbonylContact C-O 3.58Å; F211-K240 VanDerWaalsContact CA-O 3.26Å; F211-K240 WeakPolarHBondContact CA-O 3.3Å; F211-R241 HydrophobicContact CD1-CB 4.38Å; F211-R241 HydrophobicContact CE1-CB 4.34Å; F211-R241 VanDerWaalsContact CZ-NH1 3.26Å; F211-N242 VanDerWaalsContact C-ND2 3.35Å; F211-N242 PolarHBondContact N-ND2 3.05Å; F211-N242 PolarHBondContact O-ND2 2.7Å; F211-N242 VanDerWaalsContact O-ND2 3.11Å
212	S	93	Very high	91.4	Very high	47 Å²	47	74.5 Å²	74.5	33%	0.329	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	139.3	165.3	39.6	0	0	0	0	108.9	K240 N242	S212-K240 PolarHBondContact N-O 3.47Å; S212-K240 PolarHBondContact O-N 3.42Å; S212-K240 PolarHBondContact OG-O 3.08Å; S212-N242 PolarHBondContact OG-OD1 3.02Å
213	I	93.9	Very high	91.6	Very high	39 Å²	39	75.3 Å²	75.3	20%	0.2	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	117.4	172.2	-50.2	-177.7	0	0	0	107.1	I72 V203 I206 L208 L239	I72-I213 HydrophobicContact CD1-CD1 4.07Å; V203-I213 HydrophobicContact CG1-CD1 3.93Å; V203-I213 HydrophobicContact CG1-CG2 3.97Å; I206-I213 HydrophobicContact CB-CD1 3.86Å; I206-I213 HydrophobicContact CD1-CD1 3.97Å; I206-I213 HydrophobicContact CG1-CD1 4.48Å; I206-I213 HydrophobicContact CG2-CD1 4.05Å; L208-I213 HydrophobicContact CD1-CG1 4.49Å; I213-L239 HydrophobicContact CG1-CD2 3.93Å
214	V	92.7	Very high	91.8	Very high	76 Å²	76	83.3 Å²	83.3	46%	0.461	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	-39.6	-178.6	178.5	0	0	0	0	111.4	R238 K240	V214-R238 HydrophobicContact CB-CB 4.42Å; V214-R238 HydrophobicContact CB-CG 4.5Å; V214-R238 PolarHBondContact N-O 3.1Å; V214-K240 HydrophobicContact CG2-CB 3.46Å; V214-K240 VanDerWaalsContact CG2-CB 3.46Å; V214-K240 HydrophobicContact CG2-CD 4.09Å; V214-K240 HydrophobicContact CG2-CG 4.4Å
215	D	93.1	Very high	92.3	Very high	47 Å²	47	80.5 Å²	80.5	25%	0.251	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.7	149.6	-164.8	178	24.4	0	0	0	108.2	K217 R238	D215-K217 WeakPolarHBondContact OD2-CE 3.4Å; D215-K217 IonicContact OD2-NZ 3.16Å; D215-R238 HydrophobicContact CB-CB 4.08Å; D215-R238 PolarHBondContact O-N 2.96Å; D215-R238 IonicContact OD2-CZ 2.74Å; D215-R238 IonicContact OD2-NE 2.7Å; D215-R238 IonicContact OD2-NH2 2.79Å; D215-R238 PolarHBondContact OD2-NH2 3.34Å
216	Y	93.9	Very high	92.7	Very high	64 Å²	64	79.2 Å²	79.2	25%	0.251	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	144.7	169.4	72.8	-84.6	0	0	0	109.6	V200 V203 M218 L235 S236	V200-Y216 HydrophobicContact CB-CD2 4.45Å; V200-Y216 HydrophobicContact CB-CE2 3.92Å; V200-Y216 HydrophobicContact CG1-CD2 4.09Å; V200-Y216 HydrophobicContact CG1-CE2 3.87Å; V203-Y216 HydrophobicContact CB-CD1 4.16Å; V203-Y216 HydrophobicContact CB-CE1 4.24Å; V203-Y216 HydrophobicContact CG1-CD1 3.82Å; V203-Y216 HydrophobicContact CG1-CE1 4.36Å; V203-Y216 HydrophobicContact CG1-CG 4.34Å; V203-Y216 HydrophobicContact CG2-CD1 4.24Å; V203-Y216 HydrophobicContact CG2-CE1 4.36Å; V203-Y216 HydrophobicContact CG2-CG 4.35Å; Y216-M218 HydrophobicContact CE2-CE 4.15Å; Y216-L235 HydrophobicContact CD2-CD1 3.95Å; Y216-S236 CarbonylContact C-O 3.13Å; Y216-S236 VanDerWaalsContact CA-O 3.23Å; Y216-S236 WeakPolarHBondContact CA-O 3.34Å
217	K	94.2	Very high	92.9	Very high	108 Å²	108	82.9 Å²	82.9	47%	0.47	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	142.1	-177.4	-51.3	-168.4	178.4	-165.8	0	111.5	D215 L235 S236	D215-K217 WeakPolarHBondContact OD2-CE 3.4Å; D215-K217 IonicContact OD2-NZ 3.16Å; K217-L235 WeakPolarHBondContact O-CA 3.39Å; K217-S236 WeakPolarHBondContact CB-OG 3.43Å; K217-S236 PolarHBondContact N-O 2.77Å; K217-S236 PolarHBondContact O-N 2.88Å
218	M	95	Very high	93.6	Very high	50 Å²	50	75 Å²	75	25%	0.246	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	129.3	173.3	-72.1	172.8	-74	0	0	108.7	W193 G196 A199 V200 Y216 S234 L235	W193-M218 HydrophobicContact CD2-CB 4.17Å; W193-M218 HydrophobicContact CD2-CG 4.04Å; W193-M218 HydrophobicContact CD2-SD 3.98Å; W193-M218 HydrophobicContact CE3-CG 4.38Å; W193-M218 HydrophobicContact CE3-SD 4.01Å; W193-M218 HydrophobicContact CG-CB 4.21Å; W193-M218 HydrophobicContact CG-CG 4.48Å; W193-M218 HydrophobicContact CG-SD 4.25Å; W193-M218 HydrophobicContact CH2-CG 4.49Å; W193-M218 HydrophobicContact CZ2-CB 4.38Å; W193-M218 HydrophobicContact CZ2-CG 4.15Å; G196-M218 WeakPolarHBondContact O-CE 3.11Å; A199-M218 HydrophobicContact CB-SD 4.05Å; V200-M218 HydrophobicContact CB-SD 3.81Å; V200-M218 HydrophobicContact CG2-CG 3.83Å; V200-M218 HydrophobicContact CG2-SD 3.39Å; V200-M218 WeakPolarHBondContact CG2-SD 3.47Å; Y216-M218 HydrophobicContact CE2-CE 4.15Å; M218-S234 WeakPolarHBondContact CA-O 3.29Å; M218-L235 HydrophobicContact CG-CD1 4.32Å
219	V	94.8	Very high	93.9	Very high	68 Å²	68	75.4 Å²	75.4	41%	0.412	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	142.7	175.4	-178.4	0	0	0	0	108.2	W193 K221 L233 S234	W193-V219 PolarHBondContact NE1-O 2.89Å; V219-K221 HydrophobicContact CG1-CD 4.49Å; V219-L233 WeakPolarHBondContact O-CA 3.31Å; V219-S234 PolarHBondContact N-O 3.1Å; V219-S234 PolarHBondContact O-N 2.99Å
220	S	95.2	Very high	94.4	Very high	71 Å²	71	70.7 Å²	70.7	50%	0.497	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	137.9	160.3	-176.9	0	0	0	0	107.9	F191 L233	F191-S220 PolarHBondContact O-OG 2.85Å; S220-L233 WeakPolarHBondContact OG-CD2 3.48Å
221	K	94.2	Very high	94.8	Very high	69 Å²	69	67 Å²	67	30%	0.3	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	148.2	-178.3	60.2	-165.1	177.3	-165.3	0	109.8	E178 V219 V223 R232	E178-K221 IonicContact OE1-NZ 2.74Å; E178-K221 PolarHBondContact OE1-NZ 3.37Å; E178-K221 WeakPolarHBondContact OE2-CE 3.46Å; E178-K221 IonicContact OE2-NZ 3.6Å; E178-K221 PolarHBondContact OE2-NZ 2.82Å; V219-K221 HydrophobicContact CG1-CD 4.49Å; K221-V223 HydrophobicContact CG-CG1 4.29Å; K221-R232 HydrophobicContact CG-CB 4.15Å; K221-R232 PolarHBondContact N-O 3.48Å; K221-R232 PolarHBondContact O-N 3.09Å; K221-R232 VanDerWaalsContact O-O 3.06Å
222	K	95.1	Very high	95	Very high	123 Å²	123	68 Å²	68	54%	0.535	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	143.7	165.3	-66.1	-176	170.8	-166.1	0	108.3	T186 E190 Y230	T186-K222 HydrophobicContact CG2-CB 4.5Å; T186-K222 HydrophobicContact CG2-CD 3.76Å; T186-K222 HydrophobicContact CG2-CG 3.9Å; E190-K222 WeakPolarHBondContact OE1-CE 3.41Å; E190-K222 IonicContact OE1-NZ 3.6Å; E190-K222 PolarHBondContact OE1-NZ 2.92Å; K222-Y230 WeakPolarHBondContact CA-O 3.48Å
223	V	95.4	Very high	95.2	Very high	31 Å²	31	65.8 Å²	65.8	19%	0.188	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	143.3	-178.6	-65.9	0	0	0	0	110	E180 K221 F225 A229 Y230 R232	E180-V223 WeakPolarHBondContact OE1-CG2 3.38Å; K221-V223 HydrophobicContact CG-CG1 4.29Å; V223-F225 HydrophobicContact CG2-CE2 4.15Å; V223-A229 CarbonylContact O-C 3.55Å; V223-A229 WeakPolarHBondContact O-CA 2.94Å; V223-Y230 PolarHBondContact N-O 3.06Å; V223-Y230 PolarHBondContact O-N 3.44Å; V223-R232 HydrophobicContact CG2-CB 4.31Å
224	E	95.6	Very high	95.3	Very high	175 Å²	175	64.2 Å²	64.2	82%	0.818	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.7	128.7	-175.3	-66.8	177.4	179.5	0	0	110.7	A229	E224-A229 HydrophobicContact CG-CB 4.25Å
225	F	94.8	Very high	95.5	Very high	97 Å²	97	60.6 Å²	60.6	43%	0.425	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	170.3	170.4	-71.4	-79.5	0	0	0	109.6	V223 T227 G228 Y230 R232	V223-F225 HydrophobicContact CG2-CE2 4.15Å; F225-T227 PolarHBondContact O-N 2.76Å; F225-T227 VanDerWaalsContact O-N 3.1Å; F225-G228 PolarHBondContact N-O 3.27Å; F225-G228 PolarHBondContact O-N 2.92Å; F225-G228 VanDerWaalsContact O-N 3.11Å; F225-Y230 HydrophobicContact CB-CD2 4.5Å; F225-Y230 HydrophobicContact CB-CE2 4.28Å; F225-Y230 AromaticContact CD2-CD2 3.73Å; F225-Y230 HydrophobicContact CD2-CD2 3.73Å; F225-Y230 HydrophobicContact CD2-CE2 4.16Å; F225-Y230 HydrophobicContact CD2-CG 4.46Å; F225-R232 VanDerWaalsContact CZ-NH2 3.28Å
226	T	94.8	Very high	95.6	Very high	154 Å²	154	59 Å²	59	95%	0.945	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-16.4	176.1	49.1	0	0	0	0	114.2
227	T	94.8	Very high	95.7	Very high	101 Å²	101	56 Å²	56	62%	0.62	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	-14.9	176.9	49.4	0	0	0	0	114.1	F225 Y230	F225-T227 PolarHBondContact O-N 2.76Å; F225-T227 VanDerWaalsContact O-N 3.1Å; T227-Y230 WeakPolarHBondContact CB-OH 3.2Å; T227-Y230 WeakPolarHBondContact OG1-CE2 3.21Å; T227-Y230 PolarHBondContact OG1-OH 2.92Å
228	G	95.4	Very high	95.7	Very high	25 Å²	25	55.1 Å²	55.1	26%	0.258	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	147.7	-176.4	-176.3	0	0	0	0	0	113.6	F225 Y230	F225-G228 PolarHBondContact N-O 3.27Å; F225-G228 PolarHBondContact O-N 2.92Å; F225-G228 VanDerWaalsContact O-N 3.11Å; G228-Y230 WeakPolarHBondContact O-CD2 3.32Å; G228-Y230 WeakPolarHBondContact O-CE2 3.08Å
229	A	97.3	Very high	95.7	Very high	29 Å²	29	52.8 Å²	52.8	24%	0.24	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	136.9	172.4	0	0	0	0	0	110.9	T185 T186 V223 E224	T185-A229 CarbonylContact C-O 3.53Å; T185-A229 WeakPolarHBondContact CA-O 3.38Å; T185-A229 WeakPolarHBondContact CB-O 3.48Å; T186-A229 HydrophobicContact CG2-CB 4.41Å; T186-A229 PolarHBondContact N-O 3.25Å; V223-A229 CarbonylContact O-C 3.55Å; V223-A229 WeakPolarHBondContact O-CA 2.94Å; E224-A229 HydrophobicContact CG-CB 4.25Å
230	Y	97.8	Very high	95.7	Very high	22 Å²	22	54 Å²	54	9%	0.086	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	145.4	-176.3	-65.8	-101.3	0	0	0	111.2	S181 Y184 K222 V223 F225 T227 G228	S181-Y230 WeakPolarHBondContact O-CD1 3.46Å; Y184-Y230 VanDerWaalsContact O-CD1 3.29Å; Y184-Y230 WeakPolarHBondContact O-CD1 3.32Å; K222-Y230 WeakPolarHBondContact CA-O 3.48Å; V223-Y230 PolarHBondContact N-O 3.06Å; V223-Y230 PolarHBondContact O-N 3.44Å; F225-Y230 HydrophobicContact CB-CD2 4.5Å; F225-Y230 HydrophobicContact CB-CE2 4.28Å; F225-Y230 AromaticContact CD2-CD2 3.73Å; F225-Y230 HydrophobicContact CD2-CD2 3.73Å; F225-Y230 HydrophobicContact CD2-CE2 4.16Å; F225-Y230 HydrophobicContact CD2-CG 4.46Å; T227-Y230 WeakPolarHBondContact CB-OH 3.2Å; T227-Y230 WeakPolarHBondContact OG1-CE2 3.21Å; T227-Y230 PolarHBondContact OG1-OH 2.92Å; G228-Y230 WeakPolarHBondContact O-CD2 3.32Å; G228-Y230 WeakPolarHBondContact O-CE2 3.08Å
231	P	97.1	Very high	95.7	Very high	5 Å²	5	51.2 Å²	51.2	3%	0.032	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	131.8	173.7	33.2	-33	0	0	0	110.5	T186 I189 F191	T186-P231 HydrophobicContact CG2-CB 4.27Å; T186-P231 HydrophobicContact CG2-CG 4.47Å; I189-P231 HydrophobicContact CG2-CG 3.84Å; F191-P231 HydrophobicContact CB-CB 4.13Å; F191-P231 HydrophobicContact CD1-CG 4.36Å; F191-P231 HydrophobicContact CD2-CB 4.02Å; F191-P231 HydrophobicContact CD2-CG 3.94Å; F191-P231 WeakPolarHBondContact CD2-O 3.39Å; F191-P231 HydrophobicContact CE2-CG 4.19Å; F191-P231 HydrophobicContact CG-CB 4.03Å; F191-P231 HydrophobicContact CG-CG 4.04Å; F191-P231 HydrophobicContact CZ-CG 4.49Å
232	R	97.4	Very high	95.6	Very high	27 Å²	27	50.8 Å²	50.8	10%	0.102	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	127.2	178.4	-165.4	179.9	-59.6	178	-5.8	111.9	L124 E178 I179 E180 K221 V223 F225	L124-R232 VanDerWaalsContact CD2-CZ 3.48Å; E178-R232 WeakPolarHBondContact OE2-CD 3.34Å; I179-R232 CarbonylContact O-C 3.53Å; I179-R232 WeakPolarHBondContact O-CA 3.36Å; I179-R232 WeakPolarHBondContact O-CG 3.41Å; E180-R232 HydrophobicContact CB-CG 4.21Å; E180-R232 VanDerWaalsContact CD-NE 3.32Å; E180-R232 IonicContact OE1-CZ 2.74Å; E180-R232 IonicContact OE1-NE 2.68Å; E180-R232 PolarHBondContact OE1-NE 3.01Å; E180-R232 IonicContact OE1-NH2 3.37Å; E180-R232 PolarHBondContact OE1-NH2 3.47Å; E180-R232 IonicContact OE2-CZ 3.84Å; E180-R232 IonicContact OE2-NE 2.68Å; E180-R232 IonicContact OE2-NH2 3.96Å; E180-R232 PolarHBondContact OE2-NH2 3.19Å; K221-R232 HydrophobicContact CG-CB 4.15Å; K221-R232 PolarHBondContact N-O 3.48Å; K221-R232 PolarHBondContact O-N 3.09Å; K221-R232 VanDerWaalsContact O-O 3.06Å; V223-R232 HydrophobicContact CG2-CB 4.31Å; F225-R232 VanDerWaalsContact CZ-NH2 3.28Å
233	L	97.1	Very high	95.5	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	144.8	166.7	-58.1	-171.8	0	0	0	109.7	M65 I179 F191 W193 V219 S220	M65-L233 HydrophobicContact CB-CD1 3.86Å; M65-L233 HydrophobicContact CG-CD1 3.9Å; M65-L233 HydrophobicContact SD-CD1 3.85Å; I179-L233 HydrophobicContact CB-CB 4.43Å; I179-L233 PolarHBondContact N-O 2.89Å; I179-L233 PolarHBondContact O-N 3.11Å; F191-L233 HydrophobicContact CB-CD1 4.11Å; F191-L233 HydrophobicContact CB-CD2 3.96Å; F191-L233 HydrophobicContact CB-CG 3.8Å; F191-L233 HydrophobicContact CD2-CG 4.45Å; W193-L233 HydrophobicContact CD2-CD1 4.03Å; W193-L233 HydrophobicContact CE3-CD1 4.41Å; W193-L233 HydrophobicContact CG-CD1 4.4Å; W193-L233 HydrophobicContact CH2-CB 4.45Å; W193-L233 HydrophobicContact CZ2-CB 3.72Å; W193-L233 HydrophobicContact CZ2-CD1 4.28Å; V219-L233 WeakPolarHBondContact O-CA 3.31Å; S220-L233 WeakPolarHBondContact OG-CD2 3.48Å
234	S	96.3	Very high	95.3	Very high	6 Å²	6	47.5 Å²	47.5	4%	0.042	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	127.1	176.8	-178.8	0	0	0	0	110.1	L177 E178 M218 V219	L177-S234 WeakPolarHBondContact O-CA 3.31Å; E178-S234 WeakPolarHBondContact OE1-CB 3.29Å; E178-S234 PolarHBondContact OE1-OG 3.28Å; M218-S234 WeakPolarHBondContact CA-O 3.29Å; V219-S234 PolarHBondContact N-O 3.1Å; V219-S234 PolarHBondContact O-N 2.99Å
235	L	96.2	Very high	95.1	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	113.9	170.6	171.8	55	0	0	0	108.2	I67 T176 L177 W193 V200 Y216 K217 M218 F237	I67-L235 HydrophobicContact CD1-CD2 3.99Å; T176-L235 CarbonylContact C-O 3.49Å; T176-L235 WeakPolarHBondContact CA-O 3.43Å; L177-L235 HydrophobicContact CB-CB 4.48Å; L177-L235 PolarHBondContact N-O 3.07Å; L177-L235 PolarHBondContact O-N 2.73Å; W193-L235 HydrophobicContact CH2-CB 4.05Å; W193-L235 HydrophobicContact CZ2-CB 4.29Å; V200-L235 HydrophobicContact CG1-CD1 4.23Å; V200-L235 HydrophobicContact CG1-CD2 4.03Å; V200-L235 HydrophobicContact CG2-CD1 4.16Å; V200-L235 HydrophobicContact CG2-CD2 3.95Å; Y216-L235 HydrophobicContact CD2-CD1 3.95Å; K217-L235 WeakPolarHBondContact O-CA 3.39Å; M218-L235 HydrophobicContact CG-CD1 4.32Å; L235-F237 HydrophobicContact CD1-CE1 4.39Å; L235-F237 HydrophobicContact CD1-CZ 4.36Å; L235-F237 HydrophobicContact CD2-CE1 4.26Å; L235-F237 HydrophobicContact CD2-CE2 4.11Å; L235-F237 HydrophobicContact CD2-CZ 3.58Å; L235-F237 HydrophobicContact CG-CE1 4.3Å; L235-F237 HydrophobicContact CG-CE2 3.97Å; L235-F237 HydrophobicContact CG-CZ 3.78Å
236	S	95.3	Very high	95	Very high	14 Å²	14	41 Å²	41	10%	0.098	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	124.5	-178.3	70.1	0	0	0	0	111.5	N174 Y216 K217	N174-S236 WeakPolarHBondContact OD1-CB 3.42Å; Y216-S236 CarbonylContact C-O 3.13Å; Y216-S236 VanDerWaalsContact CA-O 3.23Å; Y216-S236 WeakPolarHBondContact CA-O 3.34Å; K217-S236 WeakPolarHBondContact CB-OG 3.43Å; K217-S236 PolarHBondContact N-O 2.77Å; K217-S236 PolarHBondContact O-N 2.88Å
237	F	95.3	Very high	95	Very high	1 Å²	1	36.3 Å²	36.3	0%	0.004	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	126.9	175.6	-57.2	-81.1	0	0	0	110.8	V69 Y82 L84 N174 C175 V203 L235 L239	V69-F237 HydrophobicContact CG2-CZ 4.36Å; Y82-F237 HydrophobicContact CE2-CD2 4.34Å; Y82-F237 HydrophobicContact CE2-CE2 4.36Å; L84-F237 HydrophobicContact CD1-CE2 4.48Å; L84-F237 HydrophobicContact CD1-CZ 4.32Å; L84-F237 HydrophobicContact CD2-CE2 4.47Å; N174-F237 WeakPolarHBondContact CA-O 3.33Å; C175-F237 PolarHBondContact N-O 3.22Å; C175-F237 PolarHBondContact O-N 2.84Å; V203-F237 HydrophobicContact CG2-CE1 4.22Å; L235-F237 HydrophobicContact CD1-CE1 4.39Å; L235-F237 HydrophobicContact CD1-CZ 4.36Å; L235-F237 HydrophobicContact CD2-CE1 4.26Å; L235-F237 HydrophobicContact CD2-CE2 4.11Å; L235-F237 HydrophobicContact CD2-CZ 3.58Å; L235-F237 HydrophobicContact CG-CE1 4.3Å; L235-F237 HydrophobicContact CG-CE2 3.97Å; L235-F237 HydrophobicContact CG-CZ 3.78Å; F237-L239 HydrophobicContact CB-CD2 4.23Å; F237-L239 HydrophobicContact CB-CG 4.43Å
238	R	95.6	Very high	94.8	Very high	89 Å²	89	37.8 Å²	37.8	34%	0.336	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	107.3	169.7	-161.4	-167.7	-46.6	-157.9	8.5	109.9	E172 Q173 V214 D215	E172-R238 VanDerWaalsContact OE2-CD 3.29Å; E172-R238 WeakPolarHBondContact OE2-CD 3.22Å; E172-R238 IonicContact OE2-NH1 3.19Å; Q173-R238 WeakPolarHBondContact O-CA 3.48Å; V214-R238 HydrophobicContact CB-CB 4.42Å; V214-R238 HydrophobicContact CB-CG 4.5Å; V214-R238 PolarHBondContact N-O 3.1Å; D215-R238 HydrophobicContact CB-CB 4.08Å; D215-R238 PolarHBondContact O-N 2.96Å; D215-R238 IonicContact OD2-CZ 2.74Å; D215-R238 IonicContact OD2-NE 2.7Å; D215-R238 IonicContact OD2-NH2 2.79Å; D215-R238 PolarHBondContact OD2-NH2 3.34Å
239	L	95.3	Very high	94.6	Very high	1 Å²	1	40 Å²	40	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	118	-178.7	-56.2	179.2	0	0	0	109.7	V75 E172 Q173 L208 F211 I213 F237	V75-L239 HydrophobicContact CG2-CD1 4.17Å; E172-L239 CarbonylContact C-O 3.52Å; E172-L239 WeakPolarHBondContact CA-O 3.21Å; Q173-L239 PolarHBondContact N-O 3.24Å; Q173-L239 PolarHBondContact O-N 2.94Å; L208-L239 HydrophobicContact CD1-CD2 4.3Å; F211-L239 HydrophobicContact CD1-CB 3.93Å; F211-L239 HydrophobicContact CE1-CB 4.47Å; I213-L239 HydrophobicContact CG1-CD2 3.93Å; F237-L239 HydrophobicContact CB-CD2 4.23Å; F237-L239 HydrophobicContact CB-CG 4.43Å
240	K	94.5	Very high	94.4	Very high	95 Å²	95	38.7 Å²	38.7	41%	0.413	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	133.3	175.1	-175.8	179.4	-167.1	99.8	0	109.9	E172 F211 S212 V214	E172-K240 HydrophobicContact CG-CB 3.97Å; E172-K240 HydrophobicContact CG-CD 4.45Å; E172-K240 HydrophobicContact CG-CG 3.85Å; E172-K240 IonicContact OE1-NZ 2.8Å; E172-K240 PolarHBondContact OE1-NZ 3.4Å; F211-K240 CarbonylContact C-O 3.58Å; F211-K240 VanDerWaalsContact CA-O 3.26Å; F211-K240 WeakPolarHBondContact CA-O 3.3Å; S212-K240 PolarHBondContact N-O 3.47Å; S212-K240 PolarHBondContact O-N 3.42Å; S212-K240 PolarHBondContact OG-O 3.08Å; V214-K240 HydrophobicContact CG2-CB 3.46Å; V214-K240 VanDerWaalsContact CG2-CB 3.46Å; V214-K240 HydrophobicContact CG2-CD 4.09Å; V214-K240 HydrophobicContact CG2-CG 4.4Å
241	R	94.8	Very high	94.2	Very high	12 Å²	12	37.9 Å²	37.9	5%	0.045	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	137.9	-177.5	-166.6	175.2	-59.4	-81.7	0.1	112.6	E77 Y168 P169 D171 F211 I243 F246	E77-R241 IonicContact OE1-CZ 3.93Å; E77-R241 VanDerWaalsContact OE1-CZ 3.24Å; E77-R241 IonicContact OE1-NH1 2.69Å; E77-R241 PolarHBondContact OE1-NH1 3.31Å; E77-R241 IonicContact OE1-NH2 2.62Å; E77-R241 PolarHBondContact OE1-NH2 3.34Å; Y168-R241 VanDerWaalsContact CE2-CZ 3.46Å; P169-R241 WeakPolarHBondContact O-CD 3.04Å; D171-R241 VanDerWaalsContact CG-NE 3.35Å; D171-R241 PolarHBondContact O-N 2.99Å; D171-R241 VanDerWaalsContact O-N 3.15Å; D171-R241 WeakPolarHBondContact OD1-CD 3.26Å; D171-R241 IonicContact OD1-CZ 3.72Å; D171-R241 IonicContact OD1-NE 3.57Å; D171-R241 PolarHBondContact OD1-NE 3.26Å; D171-R241 IonicContact OD1-NH2 2.88Å; D171-R241 IonicContact OD2-CZ 3.26Å; D171-R241 IonicContact OD2-NE 2.76Å; D171-R241 PolarHBondContact OD2-NE 3.08Å; D171-R241 IonicContact OD2-NH2 3.73Å; D171-R241 PolarHBondContact OD2-NH2 3.47Å; F211-R241 HydrophobicContact CD1-CB 4.38Å; F211-R241 HydrophobicContact CE1-CB 4.34Å; F211-R241 VanDerWaalsContact CZ-NH1 3.26Å; R241-I243 PolarHBondContact O-N 3.03Å; R241-F246 HydrophobicContact CG-CE2 4.1Å
242	N	92.8	Very high	94.1	Very high	59 Å²	59	42.4 Å²	42.4	32%	0.316	21%	0.208	S	C	.	.			trans	-84.1	102.8	177.2	-63.3	-18	0	0	0	110.1	Q210 F211 S212 G244	Q210-N242 PolarHBondContact O-N 2.67Å; F211-N242 VanDerWaalsContact C-ND2 3.35Å; F211-N242 PolarHBondContact N-ND2 3.05Å; F211-N242 PolarHBondContact O-ND2 2.7Å; F211-N242 VanDerWaalsContact O-ND2 3.11Å; S212-N242 PolarHBondContact OG-OD1 3.02Å; N242-G244 VanDerWaalsContact C-N 3.32Å; N242-G244 PolarHBondContact O-N 3.02Å
243	I	92.3	Very high	94	Very high	45 Å²	45	43.1 Å²	43.1	23%	0.231	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-22.5	-170	-170.3	58.5	0	0	0	115.4	P169 L170 R241 Y245 F246 I247 Y251	P169-I243 HydrophobicContact CB-CD1 4.25Å; P169-I243 HydrophobicContact CG-CD1 3.66Å; L170-I243 HydrophobicContact CD2-CB 4.36Å; L170-I243 HydrophobicContact CD2-CD1 3.66Å; L170-I243 HydrophobicContact CD2-CG1 3.79Å; L170-I243 HydrophobicContact CG-CD1 4.01Å; R241-I243 PolarHBondContact O-N 3.03Å; I243-Y245 VanDerWaalsContact C-N 3.34Å; I243-Y245 PolarHBondContact O-N 2.62Å; I243-F246 HydrophobicContact CD1-CB 4.33Å; I243-F246 PolarHBondContact O-N 2.85Å; I243-F246 VanDerWaalsContact O-N 3.09Å; I243-I247 HydrophobicContact CG1-CD1 3.97Å; I243-I247 HydrophobicContact CG1-CG1 4.05Å; I243-I247 HydrophobicContact CG2-CD1 4.07Å; I243-I247 PolarHBondContact O-N 2.85Å; I243-Y251 HydrophobicContact CD1-CE2 4.29Å
244	G	90.9	Very high	94	Very high	40 Å²	40	43.1 Å²	43.1	41%	0.412	22%	0.216	S	C	.	.	H	α-helix	trans	-58	-36.5	-168.1	0	0	0	0	0	115.5	N242 I247 L248	N242-G244 VanDerWaalsContact C-N 3.32Å; N242-G244 PolarHBondContact O-N 3.02Å; G244-I247 PolarHBondContact O-N 2.82Å; G244-L248 PolarHBondContact O-N 2.95Å
245	Y	92	Very high	93.9	Very high	127 Å²	127	44.3 Å²	44.3	50%	0.498	22%	0.223	S	C	.	.	H	α-helix	trans	-60.4	-47.5	176	175.9	-107.9	0	0	0	111.8	I243 I247 L248 Q249	I243-Y245 VanDerWaalsContact C-N 3.34Å; I243-Y245 PolarHBondContact O-N 2.62Å; Y245-I247 VanDerWaalsContact C-N 3.34Å; Y245-I247 PolarHBondContact O-N 3.15Å; Y245-L248 PolarHBondContact O-N 2.89Å; Y245-Q249 WeakPolarHBondContact O-CB 3.49Å; Y245-Q249 PolarHBondContact O-N 3.01Å; Y245-Q249 PolarHBondContact OH-NE2 2.79Å; Y245-Q249 PolarHBondContact OH-OE1 2.7Å
246	F	92.8	Very high	93.9	Very high	10 Å²	10	49.1 Å²	49.1	4%	0.044	25%	0.248	C	C	.	.	H	α-helix	trans	-69.1	-31.5	-178.9	-55	-75.2	0	0	0	112.4	Y168 P169 R241 I243 T250 Y251	Y168-F246 AromaticContact CZ-CE1 3.97Å; Y168-F246 WeakPolarHBondContact OH-CE1 3.44Å; Y168-F246 VanDerWaalsContact OH-CZ 3.3Å; Y168-F246 WeakPolarHBondContact OH-CZ 3.37Å; P169-F246 HydrophobicContact CB-CB 4.42Å; P169-F246 HydrophobicContact CB-CD1 4.23Å; P169-F246 HydrophobicContact CB-CD2 3.59Å; P169-F246 HydrophobicContact CB-CE1 4.47Å; P169-F246 HydrophobicContact CB-CE2 3.87Å; P169-F246 HydrophobicContact CB-CG 3.79Å; P169-F246 HydrophobicContact CB-CZ 4.31Å; P169-F246 HydrophobicContact CG-CB 3.88Å; P169-F246 HydrophobicContact CG-CD1 4.33Å; P169-F246 HydrophobicContact CG-CD2 3.99Å; P169-F246 HydrophobicContact CG-CG 3.77Å; R241-F246 HydrophobicContact CG-CE2 4.1Å; I243-F246 HydrophobicContact CD1-CB 4.33Å; I243-F246 PolarHBondContact O-N 2.85Å; I243-F246 VanDerWaalsContact O-N 3.09Å; F246-T250 WeakPolarHBondContact O-CA 3.31Å; F246-T250 WeakPolarHBondContact O-CB 3.48Å; F246-T250 PolarHBondContact O-N 2.69Å; F246-Y251 HydrophobicContact CB-CD2 4.37Å; F246-Y251 HydrophobicContact CB-CE2 4.2Å; F246-Y251 WeakPolarHBondContact O-CD2 3.45Å; F246-Y251 PolarHBondContact O-N 2.94Å; F246-Y251 VanDerWaalsContact O-N 3.08Å
247	I	93.5	Very high	93.9	Very high	55 Å²	55	49.3 Å²	49.3	28%	0.282	25%	0.248	S	C	.	.	I	π-helix	trans	-58.9	-50.4	173.3	-68.8	169.6	0	0	0	110.3	I243 G244 Y245 Y251 M252 W469	I243-I247 HydrophobicContact CG1-CD1 3.97Å; I243-I247 HydrophobicContact CG1-CG1 4.05Å; I243-I247 HydrophobicContact CG2-CD1 4.07Å; I243-I247 PolarHBondContact O-N 2.85Å; G244-I247 PolarHBondContact O-N 2.82Å; Y245-I247 VanDerWaalsContact C-N 3.34Å; Y245-I247 PolarHBondContact O-N 3.15Å; I247-Y251 HydrophobicContact CG1-CD2 4.45Å; I247-Y251 PolarHBondContact O-N 2.85Å; I247-M252 HydrophobicContact CG2-CG 4.21Å; I247-M252 VanDerWaalsContact O-CB 3.31Å; I247-M252 WeakPolarHBondContact O-CB 2.92Å; I247-M252 WeakPolarHBondContact O-CG 3.48Å; I247-M252 PolarHBondContact O-N 3.19Å; I247-W469 HydrophobicContact CG1-CH2 4.45Å
248	L	91.9	Very high	93.9	Very high	132 Å²	132	49.3 Å²	49.3	69%	0.691	25%	0.248	S	C	*	.	I	π-helix	trans	-73.9	-38.6	-177.4	-64.1	176	0	0	0	113	G244 Y245 P253	G244-L248 PolarHBondContact O-N 2.95Å; Y245-L248 PolarHBondContact O-N 2.89Å; L248-P253 VanDerWaalsContact O-CD 3.31Å; L248-P253 WeakPolarHBondContact O-CD 3.23Å
249	Q	90.1	Very high	93.8	Very high	71 Å²	71	48.6 Å²	48.6	33%	0.332	25%	0.25	S	S	.	.	I	π-helix	trans	-86.3	-31.6	-175.1	-162.2	-167.1	27.2	0	0	113.8	Y245 P253	Y245-Q249 WeakPolarHBondContact O-CB 3.49Å; Y245-Q249 PolarHBondContact O-N 3.01Å; Y245-Q249 PolarHBondContact OH-NE2 2.79Å; Y245-Q249 PolarHBondContact OH-OE1 2.7Å; Q249-P253 WeakPolarHBondContact O-CG 3.08Å
250	T	93.1	Very high	93.7	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.006	27%	0.274	C	S	.	.	I	π-helix	trans	-118.2	-59.5	-173	-59	0	0	0	0	113.3	F246 S254 L293 I306 L310	F246-T250 WeakPolarHBondContact O-CA 3.31Å; F246-T250 WeakPolarHBondContact O-CB 3.48Å; F246-T250 PolarHBondContact O-N 2.69Å; T250-S254 VanDerWaalsContact O-CB 3.28Å; T250-S254 WeakPolarHBondContact O-CB 3.26Å; T250-S254 PolarHBondContact O-N 2.9Å; T250-S254 PolarHBondContact O-OG 3.39Å; T250-L293 HydrophobicContact CG2-CD1 3.51Å; T250-I306 HydrophobicContact CG2-CD1 4.06Å; T250-I306 HydrophobicContact CG2-CG1 4.25Å; T250-L310 HydrophobicContact CG2-CD2 3.96Å
251	Y	94.6	Very high	93.7	Very high	5 Å²	5	48.8 Å²	48.8	2%	0.02	26%	0.256	C	S	.	.	I	π-helix	trans	-67.2	-43.9	-170.8	-68.5	-85.1	0	0	0	111.8	P169 I243 F246 I247 T255 Y309 Y468 W469	P169-Y251 HydrophobicContact CG-CE2 4.16Å; I243-Y251 HydrophobicContact CD1-CE2 4.29Å; F246-Y251 HydrophobicContact CB-CD2 4.37Å; F246-Y251 HydrophobicContact CB-CE2 4.2Å; F246-Y251 WeakPolarHBondContact O-CD2 3.45Å; F246-Y251 PolarHBondContact O-N 2.94Å; F246-Y251 VanDerWaalsContact O-N 3.08Å; I247-Y251 HydrophobicContact CG1-CD2 4.45Å; I247-Y251 PolarHBondContact O-N 2.85Å; Y251-T255 VanDerWaalsContact O-CB 3.27Å; Y251-T255 WeakPolarHBondContact O-CB 3.39Å; Y251-T255 PolarHBondContact O-N 3.09Å; Y251-T255 PolarHBondContact O-OG1 2.82Å; Y251-Y309 AromaticContact CD1-CD1 3.54Å; Y251-Y309 HydrophobicContact CD1-CD1 3.54Å; Y251-Y309 HydrophobicContact CD1-CD2 4.01Å; Y251-Y309 AromaticContact CD1-CE1 3.54Å; Y251-Y309 HydrophobicContact CD1-CE1 3.54Å; Y251-Y309 HydrophobicContact CD1-CE2 4.01Å; Y251-Y309 AromaticContact CD1-CG 3.79Å; Y251-Y309 HydrophobicContact CD1-CG 3.79Å; Y251-Y309 AromaticContact CD1-CZ 3.79Å; Y251-Y309 AromaticContact CE1-CD1 3.8Å; Y251-Y309 HydrophobicContact CE1-CD1 3.8Å; Y251-Y309 AromaticContact CE1-CD2 3.86Å; Y251-Y309 HydrophobicContact CE1-CD2 3.86Å; Y251-Y309 HydrophobicContact CE1-CE1 4.23Å; Y251-Y309 HydrophobicContact CE1-CE2 4.28Å; Y251-Y309 AromaticContact CE1-CG 3.59Å; Y251-Y309 HydrophobicContact CE1-CG 3.59Å; Y251-Y309 HydrophobicContact CG-CE1 4.45Å; Y251-Y468 AromaticContact CE1-CE1 3.72Å; Y251-Y468 HydrophobicContact CE1-CE1 3.72Å; Y251-Y468 PolarHBondContact OH-OH 3.08Å; Y251-W469 AromaticContact CD1-CH2 3.99Å; Y251-W469 HydrophobicContact CD1-CH2 3.99Å; Y251-W469 AromaticContact CD1-CZ2 3.64Å; Y251-W469 HydrophobicContact CD1-CZ2 3.64Å; Y251-W469 HydrophobicContact CD2-CH2 4.09Å; Y251-W469 HydrophobicContact CD2-CZ2 4.43Å; Y251-W469 AromaticContact CE1-CH2 3.96Å; Y251-W469 HydrophobicContact CE1-CH2 3.96Å; Y251-W469 AromaticContact CE1-CZ2 3.91Å; Y251-W469 HydrophobicContact CE1-CZ2 3.91Å; Y251-W469 HydrophobicContact CE2-CH2 4.06Å; Y251-W469 HydrophobicContact CG-CH2 4.07Å; Y251-W469 AromaticContact CG-CZ2 3.93Å; Y251-W469 HydrophobicContact CG-CZ2 3.93Å; Y251-W469 AromaticContact CZ-CH2 4Å
252	M	94.9	Very high	93.7	Very high	100 Å²	100	49.9 Å²	49.9	49%	0.493	26%	0.26	S	S	.	.	H	α-helix	trans	-63.3	-53.2	178	-78.7	-70	-173.8	0	0	112.6	I247 S254 T255 L256	I247-M252 HydrophobicContact CG2-CG 4.21Å; I247-M252 VanDerWaalsContact O-CB 3.31Å; I247-M252 WeakPolarHBondContact O-CB 2.92Å; I247-M252 WeakPolarHBondContact O-CG 3.48Å; I247-M252 PolarHBondContact O-N 3.19Å; M252-S254 PolarHBondContact O-N 2.76Å; M252-T255 WeakPolarHBondContact O-CB 3.44Å; M252-T255 PolarHBondContact O-N 3.19Å; M252-L256 VanDerWaalsContact O-CG 3.31Å; M252-L256 WeakPolarHBondContact O-CG 3.41Å; M252-L256 PolarHBondContact O-N 2.88Å
253	P	95.4	Very high	93.6	Very high	42 Å²	42	50.1 Å²	50.1	27%	0.273	26%	0.264	S	S	.	.	H	α-helix	trans	-57.9	-43.5	175.4	-29.3	38.2	0	0	0	113.6	L248 Q249 T255 L256 I257 I289	L248-P253 VanDerWaalsContact O-CD 3.31Å; L248-P253 WeakPolarHBondContact O-CD 3.23Å; Q249-P253 WeakPolarHBondContact O-CG 3.08Å; P253-T255 VanDerWaalsContact C-N 3.34Å; P253-T255 PolarHBondContact O-N 3.44Å; P253-L256 PolarHBondContact O-N 3.48Å; P253-I257 WeakPolarHBondContact O-CB 3.36Å; P253-I257 WeakPolarHBondContact O-CD1 3.42Å; P253-I257 VanDerWaalsContact O-CG1 3.25Å; P253-I257 WeakPolarHBondContact O-CG1 3.22Å; P253-I257 PolarHBondContact O-N 2.9Å; P253-I289 HydrophobicContact CB-CD1 4.23Å
254	S	95.7	Very high	93.5	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-63.1	-40	178.5	-55.4	0	0	0	0	112.2	T250 M252 T258 L310	T250-S254 VanDerWaalsContact O-CB 3.28Å; T250-S254 WeakPolarHBondContact O-CB 3.26Å; T250-S254 PolarHBondContact O-N 2.9Å; T250-S254 PolarHBondContact O-OG 3.39Å; M252-S254 PolarHBondContact O-N 2.76Å; S254-T258 WeakPolarHBondContact O-CB 3.33Å; S254-T258 PolarHBondContact O-N 2.7Å; S254-T258 PolarHBondContact O-OG1 2.66Å; S254-L310 WeakPolarHBondContact OG-CD2 3.38Å
255	T	95.1	Very high	93.4	Very high	31 Å²	31	46.3 Å²	46.3	19%	0.19	24%	0.235	C	C	.	.	H	α-helix	trans	-62.4	-49.3	173.9	-64	0	0	0	0	111	Y251 M252 P253 I257 T258 I259 Y309 F461	Y251-T255 VanDerWaalsContact O-CB 3.27Å; Y251-T255 WeakPolarHBondContact O-CB 3.39Å; Y251-T255 PolarHBondContact O-N 3.09Å; Y251-T255 PolarHBondContact O-OG1 2.82Å; M252-T255 WeakPolarHBondContact O-CB 3.44Å; M252-T255 PolarHBondContact O-N 3.19Å; P253-T255 VanDerWaalsContact C-N 3.34Å; P253-T255 PolarHBondContact O-N 3.44Å; T255-I257 PolarHBondContact O-N 3.08Å; T255-T258 WeakPolarHBondContact O-CB 3.38Å; T255-T258 PolarHBondContact O-N 2.87Å; T255-I259 HydrophobicContact CG2-CD1 3.8Å; T255-I259 WeakPolarHBondContact O-CG1 3.06Å; T255-I259 PolarHBondContact O-N 3.16Å; T255-Y309 PolarHBondContact OG1-OH 2.81Å; T255-Y309 VanDerWaalsContact OG1-OH 3.06Å; T255-F461 HydrophobicContact CG2-CE1 4.17Å; T255-F461 HydrophobicContact CG2-CZ 4.47Å
256	L	95.4	Very high	93.3	Very high	101 Å²	101	49 Å²	49	53%	0.529	24%	0.244	S	C	.	.	H	α-helix	trans	-64.5	-40.1	-178.9	-69	170.1	0	0	0	112.1	M252 P253 T258 I259 L260	M252-L256 VanDerWaalsContact O-CG 3.31Å; M252-L256 WeakPolarHBondContact O-CG 3.41Å; M252-L256 PolarHBondContact O-N 2.88Å; P253-L256 PolarHBondContact O-N 3.48Å; L256-T258 VanDerWaalsContact C-N 3.33Å; L256-T258 PolarHBondContact O-N 2.99Å; L256-I259 PolarHBondContact O-N 2.69Å; L256-L260 WeakPolarHBondContact O-CB 3.05Å; L256-L260 VanDerWaalsContact O-CG 3.25Å; L256-L260 WeakPolarHBondContact O-CG 3.38Å; L256-L260 PolarHBondContact O-N 2.94Å
257	I	95.6	Very high	93.1	Very high	19 Å²	19	50.6 Å²	50.6	10%	0.097	25%	0.253	C	S	.	.	H	α-helix	trans	-63	-40.5	173.8	-69.3	160.3	0	0	0	111	P253 T255 L260 S261 T282 T285 I289 V317	P253-I257 WeakPolarHBondContact O-CB 3.36Å; P253-I257 WeakPolarHBondContact O-CD1 3.42Å; P253-I257 VanDerWaalsContact O-CG1 3.25Å; P253-I257 WeakPolarHBondContact O-CG1 3.22Å; P253-I257 PolarHBondContact O-N 2.9Å; T255-I257 PolarHBondContact O-N 3.08Å; I257-L260 PolarHBondContact O-N 3.39Å; I257-S261 PolarHBondContact O-N 3.23Å; I257-T282 HydrophobicContact CG2-CG2 4.2Å; I257-T285 HydrophobicContact CD1-CG2 3.52Å; I257-T285 HydrophobicContact CG1-CG2 4.31Å; I257-I289 HydrophobicContact CD1-CD1 3.36Å; I257-V317 HydrophobicContact CG2-CG2 4.48Å
258	T	95.5	Very high	92.6	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-63.3	-44.8	176.1	-53.2	0	0	0	0	110.9	S254 T255 L256 L260 S261 W262 F316 V317 F461	S254-T258 WeakPolarHBondContact O-CB 3.33Å; S254-T258 PolarHBondContact O-N 2.7Å; S254-T258 PolarHBondContact O-OG1 2.66Å; T255-T258 WeakPolarHBondContact O-CB 3.38Å; T255-T258 PolarHBondContact O-N 2.87Å; L256-T258 VanDerWaalsContact C-N 3.33Å; L256-T258 PolarHBondContact O-N 2.99Å; T258-L260 PolarHBondContact O-N 2.95Å; T258-S261 WeakPolarHBondContact O-CB 3.27Å; T258-S261 PolarHBondContact O-N 2.92Å; T258-S261 PolarHBondContact O-OG 2.63Å; T258-W262 HydrophobicContact CG2-CZ2 4.06Å; T258-W262 PolarHBondContact O-NE1 2.91Å; T258-F316 HydrophobicContact CG2-CB 3.86Å; T258-V317 HydrophobicContact CG2-CG2 4.45Å; T258-F461 HydrophobicContact CG2-CD2 3.85Å; T258-F461 HydrophobicContact CG2-CE2 3.76Å; T258-F461 HydrophobicContact CG2-CG 4.3Å; T258-F461 HydrophobicContact CG2-CZ 4.13Å
259	I	94.3	Very high	92.1	Very high	74 Å²	74	49 Å²	49	38%	0.379	24%	0.243	S	C	.	.	H	α-helix	trans	-63.8	-40.5	175.4	-65.2	164.6	0	0	0	111.5	T255 L256 S261 W262	T255-I259 HydrophobicContact CG2-CD1 3.8Å; T255-I259 WeakPolarHBondContact O-CG1 3.06Å; T255-I259 PolarHBondContact O-N 3.16Å; L256-I259 PolarHBondContact O-N 2.69Å; I259-S261 VanDerWaalsContact C-N 3.27Å; I259-S261 PolarHBondContact O-N 2.7Å; I259-W262 HydrophobicContact CB-CE3 4.33Å; I259-W262 HydrophobicContact CB-CZ3 4.34Å; I259-W262 HydrophobicContact CG1-CE3 4.23Å; I259-W262 HydrophobicContact CG1-CH2 3.96Å; I259-W262 HydrophobicContact CG1-CZ3 3.75Å; I259-W262 HydrophobicContact CG2-CE3 4.24Å; I259-W262 HydrophobicContact CG2-CZ3 4.43Å; I259-W262 WeakPolarHBondContact O-CB 3.29Å; I259-W262 PolarHBondContact O-N 3.22Å; I259-W262 VanDerWaalsContact O-N 3.09Å
260	L	93.4	Very high	91.7	Very high	97 Å²	97	50.8 Å²	50.8	51%	0.508	26%	0.255	S	S	.	.	H	α-helix	trans	-62.4	-32.5	176.9	-76.9	168.6	0	0	0	112.4	L256 I257 T258 W262 V263	L256-L260 WeakPolarHBondContact O-CB 3.05Å; L256-L260 VanDerWaalsContact O-CG 3.25Å; L256-L260 WeakPolarHBondContact O-CG 3.38Å; L256-L260 PolarHBondContact O-N 2.94Å; I257-L260 PolarHBondContact O-N 3.39Å; T258-L260 PolarHBondContact O-N 2.95Å; L260-W262 PolarHBondContact O-N 3.46Å; L260-V263 HydrophobicContact CD2-CG2 4.48Å; L260-V263 WeakPolarHBondContact O-CB 3.35Å; L260-V263 WeakPolarHBondContact O-CG2 3.46Å; L260-V263 PolarHBondContact O-N 2.95Å; L260-V263 VanDerWaalsContact O-N 3.16Å
261	S	94.4	Very high	91.4	Very high	4 Å²	4	52.7 Å²	52.7	3%	0.028	27%	0.271	C	S	.	.	H	α-helix	trans	-59.9	-32.6	174.3	79.3	0	0	0	0	112.4	I257 T258 I259 V263 S264	I257-S261 PolarHBondContact O-N 3.23Å; T258-S261 WeakPolarHBondContact O-CB 3.27Å; T258-S261 PolarHBondContact O-N 2.92Å; T258-S261 PolarHBondContact O-OG 2.63Å; I259-S261 VanDerWaalsContact C-N 3.27Å; I259-S261 PolarHBondContact O-N 2.7Å; S261-V263 VanDerWaalsContact C-N 3.26Å; S261-V263 PolarHBondContact O-N 2.59Å; S261-S264 WeakPolarHBondContact O-CB 3.35Å; S261-S264 PolarHBondContact O-N 2.73Å; S261-S264 PolarHBondContact O-OG 2.91Å
262	W	93.1	Very high	91	Very high	34 Å²	34	54.9 Å²	54.9	13%	0.129	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-73.9	-12.8	-179.7	-48.2	-21.6	0	0	0	113.8	T258 I259 L260 S264 F265 P458 F461	T258-W262 HydrophobicContact CG2-CZ2 4.06Å; T258-W262 PolarHBondContact O-NE1 2.91Å; I259-W262 HydrophobicContact CB-CE3 4.33Å; I259-W262 HydrophobicContact CB-CZ3 4.34Å; I259-W262 HydrophobicContact CG1-CE3 4.23Å; I259-W262 HydrophobicContact CG1-CH2 3.96Å; I259-W262 HydrophobicContact CG1-CZ3 3.75Å; I259-W262 HydrophobicContact CG2-CE3 4.24Å; I259-W262 HydrophobicContact CG2-CZ3 4.43Å; I259-W262 WeakPolarHBondContact O-CB 3.29Å; I259-W262 PolarHBondContact O-N 3.22Å; I259-W262 VanDerWaalsContact O-N 3.09Å; L260-W262 PolarHBondContact O-N 3.46Å; W262-S264 PolarHBondContact O-N 2.94Å; W262-F265 HydrophobicContact CB-CD2 3.86Å; W262-F265 HydrophobicContact CB-CE2 3.82Å; W262-F265 AromaticContact CD1-CE2 3.81Å; W262-F265 HydrophobicContact CG-CE2 4.02Å; W262-F265 WeakPolarHBondContact O-CD2 3.26Å; W262-F265 PolarHBondContact O-N 3.02Å; W262-P458 HydrophobicContact CD2-CG 4.33Å; W262-P458 HydrophobicContact CE3-CB 4.38Å; W262-P458 HydrophobicContact CE3-CG 3.81Å; W262-P458 HydrophobicContact CH2-CB 4.12Å; W262-P458 HydrophobicContact CH2-CG 4.34Å; W262-P458 HydrophobicContact CZ3-CB 3.85Å; W262-P458 HydrophobicContact CZ3-CG 3.81Å; W262-F461 HydrophobicContact CH2-CB 4.07Å; W262-F461 AromaticContact CH2-CD1 3.73Å; W262-F461 HydrophobicContact CH2-CD1 3.73Å; W262-F461 HydrophobicContact CH2-CG 4.16Å; W262-F461 HydrophobicContact CZ2-CB 3.7Å; W262-F461 AromaticContact CZ2-CD1 3.85Å; W262-F461 HydrophobicContact CZ2-CD1 3.85Å; W262-F461 AromaticContact CZ2-CG 3.84Å; W262-F461 HydrophobicContact CZ2-CG 3.84Å
263	V	91.9	Very high	90.8	Very high	65 Å²	65	53.8 Å²	53.8	39%	0.394	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-62	-28.1	173	-179.8	0	0	0	0	110.7	L260 S261 F265 W266 I267	L260-V263 HydrophobicContact CD2-CG2 4.48Å; L260-V263 WeakPolarHBondContact O-CB 3.35Å; L260-V263 WeakPolarHBondContact O-CG2 3.46Å; L260-V263 PolarHBondContact O-N 2.95Å; L260-V263 VanDerWaalsContact O-N 3.16Å; S261-V263 VanDerWaalsContact C-N 3.26Å; S261-V263 PolarHBondContact O-N 2.59Å; V263-F265 VanDerWaalsContact C-N 3.27Å; V263-F265 PolarHBondContact O-N 2.88Å; V263-W266 PolarHBondContact O-N 2.85Å; V263-I267 HydrophobicContact CG1-CD1 4.34Å; V263-I267 PolarHBondContact O-N 2.92Å
264	S	90	Very high	90.6	Very high	5 Å²	5	53.9 Å²	53.9	4%	0.035	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-54.8	-38.8	174.1	63.8	0	0	0	0	113.1	S261 W262 W266 I267 R275	S261-S264 WeakPolarHBondContact O-CB 3.35Å; S261-S264 PolarHBondContact O-N 2.73Å; S261-S264 PolarHBondContact O-OG 2.91Å; W262-S264 PolarHBondContact O-N 2.94Å; S264-W266 PolarHBondContact O-N 2.86Å; S264-I267 PolarHBondContact O-N 2.87Å; S264-R275 PolarHBondContact O-NE 2.87Å; S264-R275 VanDerWaalsContact O-NE 3.13Å
265	F	89.5	Confident	90.3	Very high	0 Å²	0	54 Å²	54	0%	0	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-68.1	-15.2	179	-46.2	-42.5	0	0	0	113.4	W262 V263 A320 E323 R454 F457	W262-F265 HydrophobicContact CB-CD2 3.86Å; W262-F265 HydrophobicContact CB-CE2 3.82Å; W262-F265 AromaticContact CD1-CE2 3.81Å; W262-F265 HydrophobicContact CG-CE2 4.02Å; W262-F265 WeakPolarHBondContact O-CD2 3.26Å; W262-F265 PolarHBondContact O-N 3.02Å; V263-F265 VanDerWaalsContact C-N 3.27Å; V263-F265 PolarHBondContact O-N 2.88Å; F265-A320 HydrophobicContact CE1-CB 4.2Å; F265-A320 HydrophobicContact CZ-CB 3.84Å; F265-E323 HydrophobicContact CD1-CG 4.38Å; F265-E323 HydrophobicContact CE1-CB 4.02Å; F265-E323 HydrophobicContact CE1-CG 3.86Å; F265-R454 HydrophobicContact CB-CG 3.76Å; F265-R454 PolarHBondContact O-NE 3.04Å; F265-R454 PolarHBondContact O-NH2 3.03Å; F265-F457 HydrophobicContact CE1-CE2 4.38Å; F265-F457 HydrophobicContact CE2-CB 4.05Å; F265-F457 HydrophobicContact CE2-CD1 4.35Å; F265-F457 AromaticContact CE2-CD2 3.81Å; F265-F457 HydrophobicContact CE2-CD2 3.81Å; F265-F457 HydrophobicContact CE2-CE2 4.3Å; F265-F457 AromaticContact CE2-CG 3.83Å; F265-F457 HydrophobicContact CE2-CG 3.83Å; F265-F457 HydrophobicContact CZ-CD1 4.09Å; F265-F457 AromaticContact CZ-CD2 3.66Å; F265-F457 HydrophobicContact CZ-CD2 3.66Å; F265-F457 HydrophobicContact CZ-CE1 4.11Å; F265-F457 AromaticContact CZ-CE2 3.68Å; F265-F457 HydrophobicContact CZ-CE2 3.68Å; F265-F457 AromaticContact CZ-CG 3.87Å; F265-F457 HydrophobicContact CZ-CG 3.87Å; F265-F457 AromaticContact CZ-CZ 3.9Å; F265-F457 HydrophobicContact CZ-CZ 3.9Å
266	W	88.6	Confident	90.2	Very high	183 Å²	183	54.8 Å²	54.8	69%	0.693	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-97.6	-16.4	178.4	-68.5	89.7	0	0	0	113.2	V263 S264 R454	V263-W266 PolarHBondContact O-N 2.85Å; S264-W266 PolarHBondContact O-N 2.86Å; W266-R454 HydrophobicContact CZ2-CG 4.41Å
267	I	88.4	Confident	90.1	Very high	44 Å²	44	52.4 Å²	52.4	23%	0.226	30%	0.298	C	S	.	.	S	Bend	trans	-82	132.5	175.8	-67.9	167.3	0	0	0	108.6	V263 S264 Y269 A271 A274 R275 L278	V263-I267 HydrophobicContact CG1-CD1 4.34Å; V263-I267 PolarHBondContact O-N 2.92Å; S264-I267 PolarHBondContact O-N 2.87Å; I267-Y269 PolarHBondContact O-N 3.34Å; I267-A271 HydrophobicContact CG2-CB 3.73Å; I267-A274 HydrophobicContact CG2-CB 4.44Å; I267-R275 HydrophobicContact CB-CG 4.36Å; I267-R275 HydrophobicContact CG2-CG 4.18Å; I267-R275 VanDerWaalsContact O-CZ 3.25Å; I267-R275 PolarHBondContact O-NE 2.9Å; I267-R275 PolarHBondContact O-NH2 2.04Å; I267-L278 HydrophobicContact CD1-CD1 3.42Å; I267-L278 VanDerWaalsContact CD1-CD1 3.42Å
268	N	84.3	Confident	90	Very high	119 Å²	119	54.4 Å²	54.4	64%	0.636	31%	0.308	S	S	*	.			trans	-55.1	140.7	178	-68	-17.6	0	0	0	111.7	D270 A271	N268-D270 PolarHBondContact O-N 2.72Å; N268-D270 VanDerWaalsContact O-N 3.14Å; N268-A271 WeakPolarHBondContact O-CB 3.2Å; N268-A271 PolarHBondContact O-N 2.97Å
269	Y	81.4	Confident	89.8	Confident	33 Å²	33	54.7 Å²	54.7	13%	0.129	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-25.7	-177.2	64.2	-98.2	0	0	0	113.2	I267 A271 S272 F331 L443 V446	I267-Y269 PolarHBondContact O-N 3.34Å; Y269-A271 PolarHBondContact O-N 2.81Å; Y269-S272 PolarHBondContact O-N 3.34Å; Y269-F331 HydrophobicContact CD2-CD2 4.46Å; Y269-F331 HydrophobicContact CD2-CE2 4.43Å; Y269-F331 HydrophobicContact CD2-CZ 4.49Å; Y269-F331 HydrophobicContact CE2-CD2 4.08Å; Y269-F331 HydrophobicContact CE2-CE1 4.2Å; Y269-F331 AromaticContact CE2-CE2 3.66Å; Y269-F331 HydrophobicContact CE2-CE2 3.66Å; Y269-F331 AromaticContact CE2-CZ 3.72Å; Y269-F331 HydrophobicContact CE2-CZ 3.72Å; Y269-L443 HydrophobicContact CE1-CD2 3.81Å; Y269-V446 HydrophobicContact CD1-CB 4.28Å; Y269-V446 HydrophobicContact CD1-CG1 3.65Å; Y269-V446 HydrophobicContact CE1-CB 4.44Å; Y269-V446 HydrophobicContact CE1-CG1 4.28Å; Y269-V446 HydrophobicContact CG-CG1 3.94Å
270	D	80.4	Confident	89.8	Confident	109 Å²	109	55.8 Å²	55.8	58%	0.583	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-28.9	173.9	-59	-60.2	0	0	0	112.5	N268 S272	N268-D270 PolarHBondContact O-N 2.72Å; N268-D270 VanDerWaalsContact O-N 3.14Å; D270-S272 PolarHBondContact O-N 2.78Å
271	A	88.1	Confident	89.9	Confident	42 Å²	42	54.5 Å²	54.5	35%	0.347	31%	0.313	S	S	.	.			trans	-83.9	49.5	178.1	0	0	0	0	0	112.1	I267 N268 Y269 A273 A274 R275	I267-A271 HydrophobicContact CG2-CB 3.73Å; N268-A271 WeakPolarHBondContact O-CB 3.2Å; N268-A271 PolarHBondContact O-N 2.97Å; Y269-A271 PolarHBondContact O-N 2.81Å; A271-A273 VanDerWaalsContact C-N 3.32Å; A271-A273 PolarHBondContact O-N 3.48Å; A271-A274 HydrophobicContact CB-CB 4.34Å; A271-A274 WeakPolarHBondContact O-CB 3.21Å; A271-A274 PolarHBondContact O-N 3.02Å; A271-R275 PolarHBondContact O-N 2.81Å
272	S	85.1	Confident	90	Very high	50 Å²	50	54.8 Å²	54.8	35%	0.35	32%	0.315	S	S	.	.	H	α-helix	trans	-45.2	-49.7	-178.4	53.9	0	0	0	0	113.7	Y269 D270 A274 R275 V276 Y324	Y269-S272 PolarHBondContact O-N 3.34Å; D270-S272 PolarHBondContact O-N 2.78Å; S272-A274 VanDerWaalsContact C-N 3.28Å; S272-A274 PolarHBondContact O-N 3.03Å; S272-R275 PolarHBondContact O-N 3.32Å; S272-V276 WeakPolarHBondContact O-CG2 3.39Å; S272-V276 PolarHBondContact O-N 2.88Å; S272-Y324 VanDerWaalsContact CB-OH 3.27Å; S272-Y324 WeakPolarHBondContact CB-OH 3.41Å
273	A	90.2	Very high	90.1	Very high	77 Å²	77	54.5 Å²	54.5	64%	0.636	32%	0.317	S	S	*	.	H	α-helix	trans	-58.4	-36	179.1	0	0	0	0	0	113.4	A271 A277	A271-A273 VanDerWaalsContact C-N 3.32Å; A271-A273 PolarHBondContact O-N 3.48Å; A273-A277 VanDerWaalsContact O-CB 3.27Å; A273-A277 WeakPolarHBondContact O-CB 3.35Å; A273-A277 PolarHBondContact O-N 3.09Å
274	A	91.1	Very high	90.2	Very high	44 Å²	44	56.4 Å²	56.4	36%	0.364	33%	0.325	S	S	.	.	H	α-helix	trans	-73.9	-43.1	179	0	0	0	0	0	111.9	I267 A271 S272 A277 L278	I267-A274 HydrophobicContact CG2-CB 4.44Å; A271-A274 HydrophobicContact CB-CB 4.34Å; A271-A274 WeakPolarHBondContact O-CB 3.21Å; A271-A274 PolarHBondContact O-N 3.02Å; S272-A274 VanDerWaalsContact C-N 3.28Å; S272-A274 PolarHBondContact O-N 3.03Å; A274-A277 PolarHBondContact O-N 2.83Å; A274-L278 WeakPolarHBondContact O-CG 3.43Å; A274-L278 PolarHBondContact O-N 2.89Å; A274-L278 VanDerWaalsContact O-N 3.09Å
275	R	91.4	Very high	90.5	Very high	2 Å²	2	59.3 Å²	59.3	1%	0.008	34%	0.342	C	S	.	.	H	α-helix	trans	-61.5	-45.2	174.4	-73.2	-168.1	178.3	-152.9	11.4	111.5	S264 I267 A271 S272 G279 E323 Y324 D450	S264-R275 PolarHBondContact O-NE 2.87Å; S264-R275 VanDerWaalsContact O-NE 3.13Å; I267-R275 HydrophobicContact CB-CG 4.36Å; I267-R275 HydrophobicContact CG2-CG 4.18Å; I267-R275 VanDerWaalsContact O-CZ 3.25Å; I267-R275 PolarHBondContact O-NE 2.9Å; I267-R275 PolarHBondContact O-NH2 2.04Å; A271-R275 PolarHBondContact O-N 2.81Å; S272-R275 PolarHBondContact O-N 3.32Å; R275-G279 PolarHBondContact O-N 3.32Å; R275-E323 IonicContact NH1-OE2 3.6Å; R275-Y324 HydrophobicContact CB-CD2 3.64Å; R275-Y324 HydrophobicContact CB-CE2 3.94Å; R275-Y324 HydrophobicContact CB-CG 4.03Å; R275-Y324 HydrophobicContact CG-CD2 4.17Å; R275-D450 IonicContact CZ-OD1 2.72Å; R275-D450 IonicContact CZ-OD2 3.66Å; R275-D450 IonicContact NH1-OD1 2.63Å; R275-D450 PolarHBondContact NH1-OD1 2.71Å; R275-D450 IonicContact NH1-OD2 2.73Å; R275-D450 IonicContact NH2-OD1 3.17Å; R275-D450 PolarHBondContact NH2-OD1 2.76Å; R275-D450 IonicContact NH2-OD2 3.77Å; R275-D450 PolarHBondContact NH2-OD2 2.82Å
276	V	92.1	Very high	90.7	Very high	48 Å²	48	59.4 Å²	59.4	29%	0.291	34%	0.343	S	S	.	.	H	α-helix	trans	-60.9	-48.7	176.5	172.6	0	0	0	0	111.5	S272 L278 G279 I280 Y324	S272-V276 WeakPolarHBondContact O-CG2 3.39Å; S272-V276 PolarHBondContact O-N 2.88Å; V276-L278 PolarHBondContact O-N 3.26Å; V276-G279 PolarHBondContact O-N 3.3Å; V276-I280 HydrophobicContact CG1-CD1 3.6Å; V276-I280 HydrophobicContact CG1-CG1 4.27Å; V276-I280 WeakPolarHBondContact O-CG1 3.4Å; V276-I280 PolarHBondContact O-N 2.74Å; V276-Y324 HydrophobicContact CG2-CD1 3.98Å; V276-Y324 HydrophobicContact CG2-CE1 3.22Å
277	A	93.8	Very high	90.9	Very high	51 Å²	51	53.5 Å²	53.5	42%	0.421	33%	0.327	S	S	.	.	H	α-helix	trans	-60.2	-45.2	-178.6	0	0	0	0	0	112.1	A273 A274 T281	A273-A277 VanDerWaalsContact O-CB 3.27Å; A273-A277 WeakPolarHBondContact O-CB 3.35Å; A273-A277 PolarHBondContact O-N 3.09Å; A274-A277 PolarHBondContact O-N 2.83Å; A277-T281 WeakPolarHBondContact O-CB 3.49Å; A277-T281 VanDerWaalsContact O-CG2 3.28Å; A277-T281 WeakPolarHBondContact O-CG2 3.39Å; A277-T281 PolarHBondContact O-N 2.57Å; A277-T281 PolarHBondContact O-OG1 3.38Å
278	L	93.1	Very high	91.2	Very high	61 Å²	61	55.1 Å²	55.1	32%	0.319	34%	0.339	S	S	.	.	H	α-helix	trans	-63.5	-43.9	176	-71.4	170.5	0	0	0	112.4	I267 A274 V276 T281 T282	I267-L278 HydrophobicContact CD1-CD1 3.42Å; I267-L278 VanDerWaalsContact CD1-CD1 3.42Å; A274-L278 WeakPolarHBondContact O-CG 3.43Å; A274-L278 PolarHBondContact O-N 2.89Å; A274-L278 VanDerWaalsContact O-N 3.09Å; V276-L278 PolarHBondContact O-N 3.26Å; L278-T281 PolarHBondContact O-OG1 3.2Å; L278-T282 WeakPolarHBondContact O-CB 3.18Å; L278-T282 WeakPolarHBondContact O-CG2 3.48Å; L278-T282 PolarHBondContact O-N 3.48Å; L278-T282 PolarHBondContact O-OG1 2.97Å
279	G	92.3	Very high	91.7	Very high	7 Å²	7	50.9 Å²	50.9	7%	0.072	32%	0.316	C	S	.	.	H	α-helix	trans	-65.4	-44.9	178.9	0	0	0	0	0	113.2	R275 V276 T282 V283	R275-G279 PolarHBondContact O-N 3.32Å; V276-G279 PolarHBondContact O-N 3.3Å; G279-T282 PolarHBondContact O-OG1 3.3Å; G279-T282 VanDerWaalsContact O-OG1 3.14Å; G279-V283 WeakPolarHBondContact O-CG2 3.49Å; G279-V283 PolarHBondContact O-N 3.32Å
280	I	94.1	Very high	92.1	Very high	96 Å²	96	50.4 Å²	50.4	49%	0.492	32%	0.318	S	S	.	.	H	α-helix	trans	-68.1	-43.4	178	-66	177.2	0	0	0	111.2	V276 V283 L284	V276-I280 HydrophobicContact CG1-CD1 3.6Å; V276-I280 HydrophobicContact CG1-CG1 4.27Å; V276-I280 WeakPolarHBondContact O-CG1 3.4Å; V276-I280 PolarHBondContact O-N 2.74Å; I280-V283 PolarHBondContact O-N 3.29Å; I280-L284 WeakPolarHBondContact O-CB 3.32Å; I280-L284 PolarHBondContact O-N 2.94Å
281	T	95.6	Very high	92.6	Very high	70 Å²	70	48.6 Å²	48.6	43%	0.429	31%	0.311	S	S	.	.	H	α-helix	trans	-66.2	-40.7	179.6	50.5	0	0	0	0	112.2	A277 L278 L284 T285	A277-T281 WeakPolarHBondContact O-CB 3.49Å; A277-T281 VanDerWaalsContact O-CG2 3.28Å; A277-T281 WeakPolarHBondContact O-CG2 3.39Å; A277-T281 PolarHBondContact O-N 2.57Å; A277-T281 PolarHBondContact O-OG1 3.38Å; L278-T281 PolarHBondContact O-OG1 3.2Å; T281-L284 PolarHBondContact O-N 3.21Å; T281-T285 PolarHBondContact O-N 2.9Å; T281-T285 PolarHBondContact O-OG1 3.42Å
282	T	95.2	Very high	92.7	Very high	11 Å²	11	50.8 Å²	50.8	7%	0.067	31%	0.313	C	S	.	.	H	α-helix	trans	-65.2	-40.6	176.9	48.2	0	0	0	0	112.6	I257 L278 G279 L284 T285 M286 V317	I257-T282 HydrophobicContact CG2-CG2 4.2Å; L278-T282 WeakPolarHBondContact O-CB 3.18Å; L278-T282 WeakPolarHBondContact O-CG2 3.48Å; L278-T282 PolarHBondContact O-N 3.48Å; L278-T282 PolarHBondContact O-OG1 2.97Å; G279-T282 PolarHBondContact O-OG1 3.3Å; G279-T282 VanDerWaalsContact O-OG1 3.14Å; T282-L284 PolarHBondContact O-N 2.88Å; T282-T285 PolarHBondContact O-N 3.04Å; T282-M286 WeakPolarHBondContact O-CB 3.39Å; T282-M286 PolarHBondContact O-N 3.4Å; T282-V317 WeakPolarHBondContact OG1-CG1 3.31Å
283	V	95.4	Very high	92.9	Very high	27 Å²	27	49 Å²	49	16%	0.164	30%	0.3	C	S	.	.	H	α-helix	trans	-60.3	-43.8	171.2	172.2	0	0	0	0	111.3	G279 I280 M286 T287 F314 V317 L321	G279-V283 WeakPolarHBondContact O-CG2 3.49Å; G279-V283 PolarHBondContact O-N 3.32Å; I280-V283 PolarHBondContact O-N 3.29Å; V283-M286 PolarHBondContact O-N 2.82Å; V283-T287 PolarHBondContact O-N 3.48Å; V283-T287 PolarHBondContact O-OG1 2.96Å; V283-F314 HydrophobicContact CG1-CE2 3.98Å; V283-F314 HydrophobicContact CG1-CZ 4.33Å; V283-V317 HydrophobicContact CG2-CG1 3.77Å; V283-L321 HydrophobicContact CG2-CD2 4.28Å
284	L	95.3	Very high	92.6	Very high	106 Å²	106	51.9 Å²	51.9	56%	0.555	29%	0.294	S	S	*	.	H	α-helix	trans	-63.3	-49.7	178	179.3	60.9	0	0	0	111.7	I280 T281 T282 M286 T287 T288	I280-L284 WeakPolarHBondContact O-CB 3.32Å; I280-L284 PolarHBondContact O-N 2.94Å; T281-L284 PolarHBondContact O-N 3.21Å; T282-L284 PolarHBondContact O-N 2.88Å; L284-M286 VanDerWaalsContact C-N 3.3Å; L284-M286 PolarHBondContact O-N 3.25Å; L284-T287 WeakPolarHBondContact O-CA 3.48Å; L284-T287 WeakPolarHBondContact O-CB 3.33Å; L284-T287 PolarHBondContact O-N 2.76Å; L284-T287 VanDerWaalsContact O-N 3.08Å; L284-T288 PolarHBondContact O-N 3.07Å; L284-T288 PolarHBondContact O-OG1 2.8Å; L284-T288 VanDerWaalsContact O-OG1 3.09Å
285	T	95.4	Very high	92.5	Very high	66 Å²	66	57 Å²	57	41%	0.405	31%	0.311	S	S	.	.	H	α-helix	trans	-60.6	-40.4	178.6	-49.5	0	0	0	0	111.7	I257 T281 T282 T287 T288 I289	I257-T285 HydrophobicContact CD1-CG2 3.52Å; I257-T285 HydrophobicContact CG1-CG2 4.31Å; T281-T285 PolarHBondContact O-N 2.9Å; T281-T285 PolarHBondContact O-OG1 3.42Å; T282-T285 PolarHBondContact O-N 3.04Å; T285-T287 VanDerWaalsContact C-N 3.3Å; T285-T287 PolarHBondContact O-N 3.35Å; T285-T288 PolarHBondContact O-N 2.9Å; T285-I289 WeakPolarHBondContact O-CG1 3.33Å; T285-I289 PolarHBondContact O-N 3.31Å
286	M	93.4	Very high	92.2	Very high	2 Å²	2	60.3 Å²	60.3	1%	0.01	33%	0.331	C	S	.	.	H	α-helix	trans	-64.1	-36.9	175.8	-164.3	65.1	-159.9	0	0	112	T282 V283 L284 S290 L310 C313 F314	T282-M286 WeakPolarHBondContact O-CB 3.39Å; T282-M286 PolarHBondContact O-N 3.4Å; V283-M286 PolarHBondContact O-N 2.82Å; L284-M286 VanDerWaalsContact C-N 3.3Å; L284-M286 PolarHBondContact O-N 3.25Å; M286-S290 PolarHBondContact O-N 3.26Å; M286-S290 VanDerWaalsContact O-N 3.12Å; M286-L310 HydrophobicContact CE-CB 4Å; M286-L310 HydrophobicContact CE-CD2 3.52Å; M286-L310 HydrophobicContact CE-CG 4.37Å; M286-L310 VanDerWaalsContact CE-O 3.28Å; M286-L310 WeakPolarHBondContact CE-O 3.5Å; M286-C313 HydrophobicContact CE-CB 3.55Å; M286-C313 HydrophobicContact SD-CB 4.23Å; M286-F314 HydrophobicContact CB-CD2 4.37Å; M286-F314 HydrophobicContact CG-CB 4.11Å; M286-F314 HydrophobicContact CG-CD2 4.12Å
287	T	93.6	Very high	91.9	Very high	59 Å²	59	58.9 Å²	58.9	36%	0.362	32%	0.322	S	S	.	.	H	α-helix	trans	-64.2	-46.3	173.3	-53.6	0	0	0	0	111	V283 L284 T285 I289 S290 T291	V283-T287 PolarHBondContact O-N 3.48Å; V283-T287 PolarHBondContact O-OG1 2.96Å; L284-T287 WeakPolarHBondContact O-CA 3.48Å; L284-T287 WeakPolarHBondContact O-CB 3.33Å; L284-T287 PolarHBondContact O-N 2.76Å; L284-T287 VanDerWaalsContact O-N 3.08Å; T285-T287 VanDerWaalsContact C-N 3.3Å; T285-T287 PolarHBondContact O-N 3.35Å; T287-I289 VanDerWaalsContact C-N 3.34Å; T287-I289 PolarHBondContact O-N 3.2Å; T287-S290 CarbonylContact O-C 3.58Å; T287-S290 WeakPolarHBondContact O-CB 3.4Å; T287-S290 PolarHBondContact O-N 2.93Å; T287-S290 VanDerWaalsContact O-N 3.08Å; T287-T291 PolarHBondContact O-N 3.11Å; T287-T291 PolarHBondContact O-OG1 2.86Å
288	T	94.8	Very high	91.6	Very high	77 Å²	77	57.3 Å²	57.3	47%	0.472	31%	0.307	S	S	.	.	H	α-helix	trans	-60.4	-39.3	178.3	-54.1	0	0	0	0	112.9	L284 T285 T291 H292	L284-T288 PolarHBondContact O-N 3.07Å; L284-T288 PolarHBondContact O-OG1 2.8Å; L284-T288 VanDerWaalsContact O-OG1 3.09Å; T285-T288 PolarHBondContact O-N 2.9Å; T288-T291 WeakPolarHBondContact CA-OG1 3.41Å; T288-T291 PolarHBondContact O-N 3.38Å; T288-T291 PolarHBondContact O-OG1 3.43Å; T288-H292 WeakPolarHBondContact O-CB 3.4Å; T288-H292 PolarHBondContact O-N 3.04Å
289	I	93.4	Very high	91.1	Very high	30 Å²	30	64.2 Å²	64.2	15%	0.154	34%	0.335	C	S	.	.	H	α-helix	trans	-64	-43.9	173.4	-69.6	171.1	0	0	0	110.3	P253 I257 T285 T287 T291 H292 L293 L310	P253-I289 HydrophobicContact CB-CD1 4.23Å; I257-I289 HydrophobicContact CD1-CD1 3.36Å; T285-I289 WeakPolarHBondContact O-CG1 3.33Å; T285-I289 PolarHBondContact O-N 3.31Å; T287-I289 VanDerWaalsContact C-N 3.34Å; T287-I289 PolarHBondContact O-N 3.2Å; I289-T291 PolarHBondContact O-N 2.8Å; I289-H292 PolarHBondContact O-N 3.27Å; I289-L293 HydrophobicContact CG2-CD1 3.79Å; I289-L293 WeakPolarHBondContact O-CG 3.1Å; I289-L293 PolarHBondContact O-N 3.04Å; I289-L293 VanDerWaalsContact O-N 3.1Å; I289-L310 HydrophobicContact CG2-CD2 4.03Å
290	S	90	Very high	90.9	Very high	24 Å²	24	65.6 Å²	65.6	17%	0.168	34%	0.34	C	S	.	.	H	α-helix	trans	-66	-34.1	178.5	-163.1	0	0	0	0	113.2	M286 T287 R294	M286-S290 PolarHBondContact O-N 3.26Å; M286-S290 VanDerWaalsContact O-N 3.12Å; T287-S290 CarbonylContact O-C 3.58Å; T287-S290 WeakPolarHBondContact O-CB 3.4Å; T287-S290 PolarHBondContact O-N 2.93Å; T287-S290 VanDerWaalsContact O-N 3.08Å; S290-R294 WeakPolarHBondContact O-CD 3.4Å; S290-R294 VanDerWaalsContact O-CG 3.24Å; S290-R294 WeakPolarHBondContact O-CG 3.4Å; S290-R294 PolarHBondContact O-N 3.13Å
291	T	91.1	Very high	90.6	Very high	71 Å²	71	67.5 Å²	67.5	44%	0.436	36%	0.359	S	S	.	.	H	α-helix	trans	-71.4	-45.2	174.1	50.2	0	0	0	0	111.8	T287 T288 I289 L293 R294 E295	T287-T291 PolarHBondContact O-N 3.11Å; T287-T291 PolarHBondContact O-OG1 2.86Å; T288-T291 WeakPolarHBondContact CA-OG1 3.41Å; T288-T291 PolarHBondContact O-N 3.38Å; T288-T291 PolarHBondContact O-OG1 3.43Å; I289-T291 PolarHBondContact O-N 2.8Å; T291-L293 VanDerWaalsContact C-N 3.31Å; T291-L293 PolarHBondContact O-N 3.45Å; T291-R294 WeakPolarHBondContact O-CB 3.44Å; T291-R294 PolarHBondContact O-N 2.87Å; T291-E295 PolarHBondContact O-N 2.87Å
292	H	90.9	Very high	90.3	Very high	87 Å²	87	67.6 Å²	67.6	40%	0.403	35%	0.352	S	S	.	.	H	α-helix	trans	-59.4	-41.9	179.4	-177.5	49.1	0	0	0	112.3	T288 I289 R294 E295 T296	T288-H292 WeakPolarHBondContact O-CB 3.4Å; T288-H292 PolarHBondContact O-N 3.04Å; I289-H292 PolarHBondContact O-N 3.27Å; H292-R294 PolarHBondContact O-N 2.83Å; H292-E295 IonicContact ND1-OE2 3.74Å; H292-E295 WeakPolarHBondContact O-CB 3.19Å; H292-E295 PolarHBondContact O-N 2.61Å; H292-E295 VanDerWaalsContact O-N 3.08Å; H292-T296 PolarHBondContact O-N 2.78Å
293	L	87.9	Confident	90.1	Very high	13 Å²	13	71.5 Å²	71.5	7%	0.068	38%	0.375	C	S	.	.	H	α-helix	trans	-71.6	-7.3	176.3	-67.3	168.1	0	0	0	114.2	T250 I289 T291 L297 I306 L310	T250-L293 HydrophobicContact CG2-CD1 3.51Å; I289-L293 HydrophobicContact CG2-CD1 3.79Å; I289-L293 WeakPolarHBondContact O-CG 3.1Å; I289-L293 PolarHBondContact O-N 3.04Å; I289-L293 VanDerWaalsContact O-N 3.1Å; T291-L293 VanDerWaalsContact C-N 3.31Å; T291-L293 PolarHBondContact O-N 3.45Å; L293-L297 VanDerWaalsContact O-CD1 3.24Å; L293-L297 WeakPolarHBondContact O-CD1 3.19Å; L293-L297 VanDerWaalsContact O-CG 3.23Å; L293-L297 WeakPolarHBondContact O-CG 3.39Å; L293-I306 HydrophobicContact CD1-CD1 4.46Å; L293-L310 HydrophobicContact CD1-CD1 3.7Å; L293-L310 HydrophobicContact CD1-CD2 4.31Å
294	R	85.8	Confident	90	Very high	138 Å²	138	71 Å²	71	52%	0.521	37%	0.371	S	S	.	.	H	α-helix	trans	-95.4	-11.5	170	-69	167.4	-175.6	-143.1	-0.1	112.9	S290 T291 H292	S290-R294 WeakPolarHBondContact O-CD 3.4Å; S290-R294 VanDerWaalsContact O-CG 3.24Å; S290-R294 WeakPolarHBondContact O-CG 3.4Å; S290-R294 PolarHBondContact O-N 3.13Å; T291-R294 WeakPolarHBondContact O-CB 3.44Å; T291-R294 PolarHBondContact O-N 2.87Å; H292-R294 PolarHBondContact O-N 2.83Å
295	E	87.8	Confident	90	Very high	151 Å²	151	66 Å²	66	71%	0.706	35%	0.345	S	S	*	.	H	α-helix	trans	-87.5	-33.6	174.5	-65.2	169.4	158.1	0	0	111.3	T291 H292	T291-E295 PolarHBondContact O-N 2.87Å; H292-E295 IonicContact ND1-OE2 3.74Å; H292-E295 WeakPolarHBondContact O-CB 3.19Å; H292-E295 PolarHBondContact O-N 2.61Å; H292-E295 VanDerWaalsContact O-N 3.08Å
296	T	85.7	Confident	89.9	Confident	72 Å²	72	62.9 Å²	62.9	44%	0.442	33%	0.326	S	S	.	.	S	Bend	trans	-83.4	-7.3	-180	56.3	0	0	0	0	114.5	H292	H292-T296 PolarHBondContact O-N 2.78Å
297	L	84.5	Confident	89.9	Confident	17 Å²	17	64 Å²	64	9%	0.089	33%	0.332	C	S	.	.	S	Bend	trans	-121.7	152.8	-172.8	-60.5	-176.1	0	0	0	113	Y168 L293	Y168-L297 HydrophobicContact CD1-CD1 4.23Å; Y168-L297 HydrophobicContact CE1-CD1 3.67Å; Y168-L297 HydrophobicContact CE1-CD2 3.87Å; Y168-L297 HydrophobicContact CE1-CG 4.47Å; Y168-L297 HydrophobicContact CE2-CD2 4.29Å; Y168-L297 VanDerWaalsContact OH-CD2 3.26Å; Y168-L297 WeakPolarHBondContact OH-CD2 3.48Å; L293-L297 VanDerWaalsContact O-CD1 3.24Å; L293-L297 WeakPolarHBondContact O-CD1 3.19Å; L293-L297 VanDerWaalsContact O-CG 3.23Å; L293-L297 WeakPolarHBondContact O-CG 3.39Å
298	P	87.4	Confident	89.9	Confident	18 Å²	18	64.5 Å²	64.5	12%	0.117	33%	0.331	C	S	.	.			trans	-55.3	141.6	169.7	24.6	-37	0	0	0	112.4	E77 L165 I300	E77-P298 HydrophobicContact CB-CG 3.95Å; E77-P298 WeakPolarHBondContact O-CB 3.45Å; E77-P298 VanDerWaalsContact O-CG 3.31Å; E77-P298 WeakPolarHBondContact O-CG 3.37Å; L165-P298 HydrophobicContact CD1-CG 3.96Å; P298-I300 HydrophobicContact CB-CD1 4Å; P298-I300 HydrophobicContact CB-CG1 3.93Å; P298-I300 HydrophobicContact CG-CD1 3.55Å; P298-I300 HydrophobicContact CG-CG1 4.03Å; P298-I300 PolarHBondContact O-N 2.97Å
299	K	84.1	Confident	89.9	Confident	207 Å²	207	60.9 Å²	60.9	90%	0.9	31%	0.309	S	S	*	.			trans	-76.5	85.3	175	-69.7	179.6	-179.6	174.4	0	110.4
300	I	87.1	Confident	90	Very high	35 Å²	35	59.7 Å²	59.7	18%	0.179	30%	0.303	C	S	.	.			trans	-98.3	138.8	-175.7	-71.6	176.8	0	0	0	110.7	M80 L165 P298 Y302	M80-I300 HydrophobicContact CE-CD1 3.86Å; L165-I300 HydrophobicContact CB-CD1 4.1Å; L165-I300 HydrophobicContact CD1-CD1 3.54Å; L165-I300 HydrophobicContact CG-CD1 4.4Å; P298-I300 HydrophobicContact CB-CD1 4Å; P298-I300 HydrophobicContact CB-CG1 3.93Å; P298-I300 HydrophobicContact CG-CD1 3.55Å; P298-I300 HydrophobicContact CG-CG1 4.03Å; P298-I300 PolarHBondContact O-N 2.97Å; I300-Y302 VanDerWaalsContact C-N 3.35Å; I300-Y302 HydrophobicContact CG2-CD1 3.55Å; I300-Y302 HydrophobicContact CG2-CD2 3.56Å; I300-Y302 HydrophobicContact CG2-CE1 3.45Å; I300-Y302 VanDerWaalsContact CG2-CE1 3.45Å; I300-Y302 HydrophobicContact CG2-CE2 3.43Å; I300-Y302 VanDerWaalsContact CG2-CE2 3.43Å; I300-Y302 HydrophobicContact CG2-CG 3.61Å; I300-Y302 PolarHBondContact O-N 3.23Å
301	P	87.4	Confident	90.1	Very high	137 Å²	137	63.2 Å²	63.2	89%	0.89	32%	0.318	S	S	*	.	S	Bend	trans	-79.2	-10.9	-175.4	31.6	-37.3	0	0	0	114.8
302	Y	90.8	Very high	90.3	Very high	72 Å²	72	60.4 Å²	60.4	28%	0.282	30%	0.303	S	S	.	.	S	Bend	trans	-102.1	153.1	177.6	58.4	-108.7	0	0	0	112.6	L165 R166 I300	L165-Y302 HydrophobicContact CB-CE2 4.46Å; L165-Y302 PolarHBondContact N-OH 3.22Å; R166-Y302 HydrophobicContact CB-CE2 4.36Å; R166-Y302 HydrophobicContact CG-CD2 3.68Å; R166-Y302 HydrophobicContact CG-CE2 3.63Å; R166-Y302 HydrophobicContact CG-CG 4.36Å; I300-Y302 VanDerWaalsContact C-N 3.35Å; I300-Y302 HydrophobicContact CG2-CD1 3.55Å; I300-Y302 HydrophobicContact CG2-CD2 3.56Å; I300-Y302 HydrophobicContact CG2-CE1 3.45Å; I300-Y302 VanDerWaalsContact CG2-CE1 3.45Å; I300-Y302 HydrophobicContact CG2-CE2 3.43Å; I300-Y302 VanDerWaalsContact CG2-CE2 3.43Å; I300-Y302 HydrophobicContact CG2-CG 3.61Å; I300-Y302 PolarHBondContact O-N 3.23Å
303	V	91.2	Very high	90.5	Very high	92 Å²	92	56.2 Å²	56.2	56%	0.558	28%	0.284	S	S	*	.	P	Polyproline II helix	trans	-72.4	134.7	178.5	-172.6	0	0	0	0	110.3	D307 I308	V303-D307 HydrophobicContact CG1-CB 3.92Å; V303-I308 HydrophobicContact CG1-CD1 3.94Å; V303-I308 HydrophobicContact CG1-CG1 3.64Å
304	K	93.4	Very high	90.9	Very high	18 Å²	18	58.8 Å²	58.8	8%	0.078	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-99.6	157	177.4	-52.9	177.1	-56.8	-56	0	110.9	R166 Y168 I306 D307 I308	R166-K304 CarbonylContact O-C 3.59Å; R166-K304 WeakPolarHBondContact O-CA 3.36Å; Y168-K304 HydrophobicContact CD1-CD 4.5Å; K304-I306 HydrophobicContact CB-CG2 4.11Å; K304-I306 PolarHBondContact O-N 3.21Å; K304-D307 WeakPolarHBondContact CB-OD2 3.47Å; K304-D307 PolarHBondContact N-OD2 3.49Å; K304-D307 IonicContact NZ-OD1 2.65Å; K304-D307 PolarHBondContact NZ-OD1 3.02Å; K304-D307 IonicContact NZ-OD2 2.78Å; K304-D307 PolarHBondContact NZ-OD2 3.17Å; K304-D307 WeakPolarHBondContact O-CB 3.43Å; K304-D307 PolarHBondContact O-N 3.05Å; K304-I308 PolarHBondContact O-N 2.65Å
305	A	94	Very high	91.4	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-55.1	-37.9	176.2	0	0	0	0	0	112.8	R166 I308 Y309 Y468 Y472	R166-A305 PolarHBondContact O-N 3.08Å; A305-I308 PolarHBondContact O-N 2.93Å; A305-Y309 PolarHBondContact O-N 2.74Å; A305-Y309 VanDerWaalsContact O-N 3.17Å; A305-Y468 VanDerWaalsContact C-OH 3.27Å; A305-Y468 VanDerWaalsContact O-CE2 3.27Å; A305-Y468 WeakPolarHBondContact O-CE2 3.21Å; A305-Y468 PolarHBondContact O-OH 2.91Å; A305-Y472 HydrophobicContact CB-CD1 3.48Å; A305-Y472 VanDerWaalsContact CB-CD1 3.48Å; A305-Y472 HydrophobicContact CB-CD2 4.16Å; A305-Y472 HydrophobicContact CB-CE1 3.39Å; A305-Y472 HydrophobicContact CB-CE2 4.09Å; A305-Y472 HydrophobicContact CB-CG 3.89Å
306	I	93.6	Very high	91.7	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-64.6	-36	174.1	-157.5	171.5	0	0	0	113	Y168 P169 T250 L293 K304 I308 Y309 L310	Y168-I306 HydrophobicContact CD1-CB 4.43Å; Y168-I306 HydrophobicContact CD1-CG2 3.9Å; Y168-I306 HydrophobicContact CE1-CD1 4.23Å; Y168-I306 HydrophobicContact CE1-CG2 4.31Å; Y168-I306 PolarHBondContact O-N 3.3Å; Y168-I306 VanDerWaalsContact O-N 3.08Å; P169-I306 HydrophobicContact CG-CD1 4.48Å; T250-I306 HydrophobicContact CG2-CD1 4.06Å; T250-I306 HydrophobicContact CG2-CG1 4.25Å; L293-I306 HydrophobicContact CD1-CD1 4.46Å; K304-I306 HydrophobicContact CB-CG2 4.11Å; K304-I306 PolarHBondContact O-N 3.21Å; I306-I308 VanDerWaalsContact C-N 3.32Å; I306-I308 PolarHBondContact O-N 2.97Å; I306-Y309 PolarHBondContact O-N 3.42Å; I306-L310 HydrophobicContact CG1-CD1 4.29Å; I306-L310 VanDerWaalsContact O-CG 3.26Å; I306-L310 WeakPolarHBondContact O-CG 3.47Å; I306-L310 PolarHBondContact O-N 3.39Å
307	D	92.9	Very high	92.2	Very high	26 Å²	26	46.5 Å²	46.5	14%	0.139	24%	0.242	C	C	.	.	H	α-helix	trans	-66.3	-38.7	177.9	-55.1	-41.3	0	0	0	110.5	V303 K304 Y309 L310 M311	V303-D307 HydrophobicContact CG1-CB 3.92Å; K304-D307 WeakPolarHBondContact CB-OD2 3.47Å; K304-D307 PolarHBondContact N-OD2 3.49Å; K304-D307 IonicContact NZ-OD1 2.65Å; K304-D307 PolarHBondContact NZ-OD1 3.02Å; K304-D307 IonicContact NZ-OD2 2.78Å; K304-D307 PolarHBondContact NZ-OD2 3.17Å; K304-D307 WeakPolarHBondContact O-CB 3.43Å; K304-D307 PolarHBondContact O-N 3.05Å; D307-Y309 VanDerWaalsContact C-N 3.34Å; D307-L310 PolarHBondContact O-N 2.84Å; D307-M311 VanDerWaalsContact O-CB 3.29Å; D307-M311 WeakPolarHBondContact O-CB 3.41Å; D307-M311 WeakPolarHBondContact O-CG 3.31Å; D307-M311 PolarHBondContact O-N 3.08Å
308	I	94.1	Very high	92.7	Very high	69 Å²	69	50.1 Å²	50.1	35%	0.354	26%	0.258	S	S	.	.	H	α-helix	trans	-65.6	-38.3	177.1	-70.8	164	0	0	0	110.9	V303 K304 A305 I306 G312 Y472	V303-I308 HydrophobicContact CG1-CD1 3.94Å; V303-I308 HydrophobicContact CG1-CG1 3.64Å; K304-I308 PolarHBondContact O-N 2.65Å; A305-I308 PolarHBondContact O-N 2.93Å; I306-I308 VanDerWaalsContact C-N 3.32Å; I306-I308 PolarHBondContact O-N 2.97Å; I308-G312 PolarHBondContact O-N 2.65Å; I308-Y472 WeakPolarHBondContact CD1-OH 3.49Å
309	Y	95.2	Very high	93	Very high	1 Å²	1	52.9 Å²	52.9	0%	0.004	27%	0.271	C	S	.	.	H	α-helix	trans	-62.9	-50.8	173.5	-166	-97.8	0	0	0	111.9	Y251 T255 A305 I306 D307 M311 G312 C313 F464 N465 Y468	Y251-Y309 AromaticContact CD1-CD1 3.54Å; Y251-Y309 HydrophobicContact CD1-CD1 3.54Å; Y251-Y309 HydrophobicContact CD1-CD2 4.01Å; Y251-Y309 AromaticContact CD1-CE1 3.54Å; Y251-Y309 HydrophobicContact CD1-CE1 3.54Å; Y251-Y309 HydrophobicContact CD1-CE2 4.01Å; Y251-Y309 AromaticContact CD1-CG 3.79Å; Y251-Y309 HydrophobicContact CD1-CG 3.79Å; Y251-Y309 AromaticContact CD1-CZ 3.79Å; Y251-Y309 AromaticContact CE1-CD1 3.8Å; Y251-Y309 HydrophobicContact CE1-CD1 3.8Å; Y251-Y309 AromaticContact CE1-CD2 3.86Å; Y251-Y309 HydrophobicContact CE1-CD2 3.86Å; Y251-Y309 HydrophobicContact CE1-CE1 4.23Å; Y251-Y309 HydrophobicContact CE1-CE2 4.28Å; Y251-Y309 AromaticContact CE1-CG 3.59Å; Y251-Y309 HydrophobicContact CE1-CG 3.59Å; Y251-Y309 HydrophobicContact CG-CE1 4.45Å; T255-Y309 PolarHBondContact OG1-OH 2.81Å; T255-Y309 VanDerWaalsContact OG1-OH 3.06Å; A305-Y309 PolarHBondContact O-N 2.74Å; A305-Y309 VanDerWaalsContact O-N 3.17Å; I306-Y309 PolarHBondContact O-N 3.42Å; D307-Y309 VanDerWaalsContact C-N 3.34Å; Y309-M311 PolarHBondContact O-N 2.9Å; Y309-G312 PolarHBondContact O-N 2.87Å; Y309-C313 VanDerWaalsContact CE1-SG 3.53Å; Y309-C313 PolarHBondContact O-N 3.19Å; Y309-C313 PolarHBondContact O-SG 3.09Å; Y309-F464 HydrophobicContact CD2-CE1 4.02Å; Y309-F464 HydrophobicContact CD2-CZ 4.44Å; Y309-F464 HydrophobicContact CE2-CE1 4.08Å; Y309-N465 WeakPolarHBondContact CE2-OD1 3.37Å; Y309-N465 PolarHBondContact OH-OD1 2.6Å; Y309-Y468 AromaticContact CD2-CD1 3.72Å; Y309-Y468 HydrophobicContact CD2-CD1 3.72Å; Y309-Y468 AromaticContact CD2-CD2 3.97Å; Y309-Y468 HydrophobicContact CD2-CD2 3.97Å; Y309-Y468 AromaticContact CD2-CE1 3.73Å; Y309-Y468 HydrophobicContact CD2-CE1 3.73Å; Y309-Y468 AromaticContact CD2-CE2 3.97Å; Y309-Y468 HydrophobicContact CD2-CE2 3.97Å; Y309-Y468 AromaticContact CD2-CG 3.85Å; Y309-Y468 HydrophobicContact CD2-CG 3.85Å; Y309-Y468 AromaticContact CD2-CZ 3.86Å; Y309-Y468 HydrophobicContact CE2-CD1 4.2Å; Y309-Y468 HydrophobicContact CE2-CE1 4.46Å; Y309-Y468 HydrophobicContact CE2-CG 4.46Å; Y309-Y468 HydrophobicContact CG-CE1 4.38Å; Y309-Y468 HydrophobicContact CG-CE2 4.35Å
310	L	94.2	Very high	93.4	Very high	5 Å²	5	43.2 Å²	43.2	3%	0.026	23%	0.23	C	C	.	.	H	α-helix	trans	-63.7	-40.6	-178.9	-66	168	0	0	0	111.7	T250 S254 M286 I289 L293 I306 D307 F314	T250-L310 HydrophobicContact CG2-CD2 3.96Å; S254-L310 WeakPolarHBondContact OG-CD2 3.38Å; M286-L310 HydrophobicContact CE-CB 4Å; M286-L310 HydrophobicContact CE-CD2 3.52Å; M286-L310 HydrophobicContact CE-CG 4.37Å; M286-L310 VanDerWaalsContact CE-O 3.28Å; M286-L310 WeakPolarHBondContact CE-O 3.5Å; I289-L310 HydrophobicContact CG2-CD2 4.03Å; L293-L310 HydrophobicContact CD1-CD1 3.7Å; L293-L310 HydrophobicContact CD1-CD2 4.31Å; I306-L310 HydrophobicContact CG1-CD1 4.29Å; I306-L310 VanDerWaalsContact O-CG 3.26Å; I306-L310 WeakPolarHBondContact O-CG 3.47Å; I306-L310 PolarHBondContact O-N 3.39Å; D307-L310 PolarHBondContact O-N 2.84Å; L310-F314 VanDerWaalsContact O-CB 3.25Å; L310-F314 WeakPolarHBondContact O-CB 3.46Å; L310-F314 PolarHBondContact O-N 3.02Å
311	M	93.7	Very high	93.6	Very high	97 Å²	97	43.5 Å²	43.5	48%	0.478	23%	0.232	S	C	.	.	H	α-helix	trans	-66.3	-38.5	174.9	-72.9	-66.3	-178	0	0	112.1	D307 Y309 F314 V315	D307-M311 VanDerWaalsContact O-CB 3.29Å; D307-M311 WeakPolarHBondContact O-CB 3.41Å; D307-M311 WeakPolarHBondContact O-CG 3.31Å; D307-M311 PolarHBondContact O-N 3.08Å; Y309-M311 PolarHBondContact O-N 2.9Å; M311-F314 PolarHBondContact O-N 3.11Å; M311-V315 WeakPolarHBondContact O-CG2 3.47Å; M311-V315 PolarHBondContact O-N 2.87Å
312	G	94.9	Very high	93.8	Very high	12 Å²	12	40.8 Å²	40.8	12%	0.124	21%	0.209	C	C	.	.	H	α-helix	trans	-59.3	-54.9	173.1	0	0	0	0	0	111.9	I308 Y309 F314 V315 F316	I308-G312 PolarHBondContact O-N 2.65Å; Y309-G312 PolarHBondContact O-N 2.87Å; G312-F314 VanDerWaalsContact C-N 3.32Å; G312-F314 PolarHBondContact O-N 2.89Å; G312-V315 PolarHBondContact O-N 2.86Å; G312-V315 VanDerWaalsContact O-N 3.16Å; G312-F316 WeakPolarHBondContact O-CD2 3.31Å; G312-F316 PolarHBondContact O-N 2.92Å
313	C	95.6	Very high	93.8	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-56.1	-43.2	175.1	-68.2	0	0	0	0	112.4	M286 Y309 V315 F316 V317	M286-C313 HydrophobicContact CE-CB 3.55Å; M286-C313 HydrophobicContact SD-CB 4.23Å; Y309-C313 VanDerWaalsContact CE1-SG 3.53Å; Y309-C313 PolarHBondContact O-N 3.19Å; Y309-C313 PolarHBondContact O-SG 3.09Å; C313-V315 PolarHBondContact O-N 3.41Å; C313-F316 PolarHBondContact O-N 3.41Å; C313-V317 WeakPolarHBondContact O-CG2 3.46Å; C313-V317 PolarHBondContact O-N 2.97Å
314	F	95.3	Very high	93.7	Very high	66 Å²	66	34.7 Å²	34.7	29%	0.289	18%	0.176	S	C	.	.	H	α-helix	trans	-60.4	-43	176.1	-178.8	-89.1	0	0	0	112.3	V283 M286 L310 M311 G312 V317 F318	V283-F314 HydrophobicContact CG1-CE2 3.98Å; V283-F314 HydrophobicContact CG1-CZ 4.33Å; M286-F314 HydrophobicContact CB-CD2 4.37Å; M286-F314 HydrophobicContact CG-CB 4.11Å; M286-F314 HydrophobicContact CG-CD2 4.12Å; L310-F314 VanDerWaalsContact O-CB 3.25Å; L310-F314 WeakPolarHBondContact O-CB 3.46Å; L310-F314 PolarHBondContact O-N 3.02Å; M311-F314 PolarHBondContact O-N 3.11Å; G312-F314 VanDerWaalsContact C-N 3.32Å; G312-F314 PolarHBondContact O-N 2.89Å; F314-V317 PolarHBondContact O-N 2.86Å; F314-F318 VanDerWaalsContact O-CB 3.29Å; F314-F318 WeakPolarHBondContact O-CB 3.48Å; F314-F318 PolarHBondContact O-N 2.92Å
315	V	95.8	Very high	93.4	Very high	76 Å²	76	36.1 Å²	36.1	46%	0.461	19%	0.191	S	C	.	.	H	α-helix	trans	-63.4	-41.6	175.6	168.8	0	0	0	0	111.4	M311 G312 C313 F318 L319	M311-V315 WeakPolarHBondContact O-CG2 3.47Å; M311-V315 PolarHBondContact O-N 2.87Å; G312-V315 PolarHBondContact O-N 2.86Å; G312-V315 VanDerWaalsContact O-N 3.16Å; C313-V315 PolarHBondContact O-N 3.41Å; V315-F318 PolarHBondContact O-N 3.16Å; V315-L319 HydrophobicContact CG1-CD1 3.79Å; V315-L319 HydrophobicContact CG1-CG 4.27Å; V315-L319 WeakPolarHBondContact O-CB 3.46Å; V315-L319 VanDerWaalsContact O-CG 3.24Å; V315-L319 WeakPolarHBondContact O-CG 3.27Å; V315-L319 PolarHBondContact O-N 2.82Å
316	F	95.5	Very high	93.1	Very high	27 Å²	27	41.8 Å²	41.8	12%	0.118	22%	0.216	C	C	.	.	H	α-helix	trans	-62.6	-43.7	175.4	-77	-70.1	0	0	0	112.8	T258 G312 C313 L319 A320 F457 T460 F461 F464	T258-F316 HydrophobicContact CG2-CB 3.86Å; G312-F316 WeakPolarHBondContact O-CD2 3.31Å; G312-F316 PolarHBondContact O-N 2.92Å; C313-F316 PolarHBondContact O-N 3.41Å; F316-L319 PolarHBondContact O-N 2.95Å; F316-A320 PolarHBondContact O-N 3.29Å; F316-F457 HydrophobicContact CD1-CD1 4.35Å; F316-T460 WeakPolarHBondContact CE1-OG1 3.44Å; F316-F461 AromaticContact CD2-CD2 3.63Å; F316-F461 HydrophobicContact CD2-CD2 3.63Å; F316-F461 HydrophobicContact CD2-CE2 4.35Å; F316-F461 HydrophobicContact CE1-CB 4.38Å; F316-F461 HydrophobicContact CE2-CB 4.45Å; F316-F461 AromaticContact CE2-CD2 3.83Å; F316-F461 HydrophobicContact CE2-CD2 3.83Å; F316-F461 HydrophobicContact CG-CD2 4.17Å; F316-F461 HydrophobicContact CZ-CB 4.33Å; F316-F464 HydrophobicContact CE2-CB 3.95Å; F316-F464 HydrophobicContact CE2-CD1 4.08Å; F316-F464 AromaticContact CE2-CG 3.93Å; F316-F464 HydrophobicContact CE2-CG 3.93Å; F316-F464 HydrophobicContact CZ-CB 4.15Å
317	V	95.4	Very high	92.7	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-65.7	-41	177	174.4	0	0	0	0	111.3	I257 T258 T282 V283 C313 F314 A320 L321	I257-V317 HydrophobicContact CG2-CG2 4.48Å; T258-V317 HydrophobicContact CG2-CG2 4.45Å; T282-V317 WeakPolarHBondContact OG1-CG1 3.31Å; V283-V317 HydrophobicContact CG2-CG1 3.77Å; C313-V317 WeakPolarHBondContact O-CG2 3.46Å; C313-V317 PolarHBondContact O-N 2.97Å; F314-V317 PolarHBondContact O-N 2.86Å; V317-A320 PolarHBondContact O-N 3.44Å; V317-L321 PolarHBondContact O-N 3.26Å
318	F	94.9	Very high	92.3	Very high	93 Å²	93	43.1 Å²	43.1	41%	0.408	22%	0.224	S	C	.	.	H	α-helix	trans	-65.4	-39.8	175.7	-178.3	-109.7	0	0	0	112.5	F314 V315 A320 L321 L322	F314-F318 VanDerWaalsContact O-CB 3.29Å; F314-F318 WeakPolarHBondContact O-CB 3.48Å; F314-F318 PolarHBondContact O-N 2.92Å; V315-F318 PolarHBondContact O-N 3.16Å; F318-A320 VanDerWaalsContact C-N 3.32Å; F318-A320 PolarHBondContact O-N 2.68Å; F318-L321 PolarHBondContact O-N 2.88Å; F318-L322 HydrophobicContact CD1-CD1 3.93Å; F318-L322 HydrophobicContact CD1-CG 4.41Å; F318-L322 HydrophobicContact CE1-CD1 3.49Å; F318-L322 VanDerWaalsContact CE1-CD1 3.49Å; F318-L322 HydrophobicContact CE1-CG 4.08Å; F318-L322 HydrophobicContact CZ-CD1 4.03Å; F318-L322 HydrophobicContact CZ-CD2 4.34Å; F318-L322 HydrophobicContact CZ-CG 4.2Å; F318-L322 PolarHBondContact O-N 3.12Å
319	L	94.2	Very high	91.9	Very high	76 Å²	76	47 Å²	47	40%	0.398	24%	0.235	S	C	.	.	H	α-helix	trans	-64.3	-34.2	174	-75	169.8	0	0	0	112.3	V315 F316 L322 E323 F457	V315-L319 HydrophobicContact CG1-CD1 3.79Å; V315-L319 HydrophobicContact CG1-CG 4.27Å; V315-L319 WeakPolarHBondContact O-CB 3.46Å; V315-L319 VanDerWaalsContact O-CG 3.24Å; V315-L319 WeakPolarHBondContact O-CG 3.27Å; V315-L319 PolarHBondContact O-N 2.82Å; F316-L319 PolarHBondContact O-N 2.95Å; L319-L322 HydrophobicContact CD2-CD1 4.4Å; L319-L322 PolarHBondContact O-N 2.89Å; L319-E323 WeakPolarHBondContact O-CB 3.49Å; L319-E323 PolarHBondContact O-N 2.58Å; L319-F457 HydrophobicContact CB-CE1 3.77Å; L319-F457 HydrophobicContact CB-CZ 3.95Å
320	A	91.9	Very high	91.4	Very high	4 Å²	4	48.7 Å²	48.7	3%	0.033	24%	0.243	C	C	.	.	H	α-helix	trans	-67.1	-34.6	173.7	0	0	0	0	0	112.5	F265 F316 V317 F318 E323 Y324 F457	F265-A320 HydrophobicContact CE1-CB 4.2Å; F265-A320 HydrophobicContact CZ-CB 3.84Å; F316-A320 PolarHBondContact O-N 3.29Å; V317-A320 PolarHBondContact O-N 3.44Å; F318-A320 VanDerWaalsContact C-N 3.32Å; F318-A320 PolarHBondContact O-N 2.68Å; A320-E323 WeakPolarHBondContact O-CB 3.27Å; A320-Y324 PolarHBondContact O-N 2.69Å; A320-F457 HydrophobicContact CB-CE1 4.12Å
321	L	91.8	Very high	90.5	Very high	42 Å²	42	52 Å²	52	22%	0.22	26%	0.258	C	S	.	.	H	α-helix	trans	-70	-37.8	171.9	177.8	60.7	0	0	0	112.2	V283 V317 F318 Y324 A325	V283-L321 HydrophobicContact CG2-CD2 4.28Å; V317-L321 PolarHBondContact O-N 3.26Å; F318-L321 PolarHBondContact O-N 2.88Å; L321-Y324 PolarHBondContact O-N 2.9Å; L321-A325 PolarHBondContact O-N 2.62Å; L321-A325 VanDerWaalsContact O-N 3.15Å
322	L	91.9	Very high	89.6	Confident	80 Å²	80	53.9 Å²	53.9	42%	0.419	26%	0.264	S	S	.	.	H	α-helix	trans	-67.7	-32.9	174	-73.4	179.6	0	0	0	112.9	F318 L319 A325 F326	F318-L322 HydrophobicContact CD1-CD1 3.93Å; F318-L322 HydrophobicContact CD1-CG 4.41Å; F318-L322 HydrophobicContact CE1-CD1 3.49Å; F318-L322 VanDerWaalsContact CE1-CD1 3.49Å; F318-L322 HydrophobicContact CE1-CG 4.08Å; F318-L322 HydrophobicContact CZ-CD1 4.03Å; F318-L322 HydrophobicContact CZ-CD2 4.34Å; F318-L322 HydrophobicContact CZ-CG 4.2Å; F318-L322 PolarHBondContact O-N 3.12Å; L319-L322 HydrophobicContact CD2-CD1 4.4Å; L319-L322 PolarHBondContact O-N 2.89Å; L322-A325 PolarHBondContact O-N 2.96Å; L322-F326 WeakPolarHBondContact O-CB 3.19Å; L322-F326 PolarHBondContact O-N 3.16Å
323	E	91	Very high	87.9	Confident	15 Å²	15	55.8 Å²	55.8	7%	0.07	28%	0.283	C	S	.	.	H	α-helix	trans	-58.2	-50.1	174	-167	-90.6	-168.2	0	0	110.8	F265 R275 L319 A320 A325 F326 V327 S453	F265-E323 HydrophobicContact CD1-CG 4.38Å; F265-E323 HydrophobicContact CE1-CB 4.02Å; F265-E323 HydrophobicContact CE1-CG 3.86Å; R275-E323 IonicContact NH1-OE2 3.6Å; L319-E323 WeakPolarHBondContact O-CB 3.49Å; L319-E323 PolarHBondContact O-N 2.58Å; A320-E323 WeakPolarHBondContact O-CB 3.27Å; E323-A325 VanDerWaalsContact C-N 3.33Å; E323-A325 PolarHBondContact O-N 3.03Å; E323-F326 WeakPolarHBondContact O-CB 3.31Å; E323-F326 PolarHBondContact O-N 2.79Å; E323-F326 VanDerWaalsContact O-N 3.16Å; E323-V327 WeakPolarHBondContact O-CB 3.41Å; E323-V327 WeakPolarHBondContact O-CG2 3.36Å; E323-V327 PolarHBondContact O-N 3.01Å; E323-S453 WeakPolarHBondContact CG-OG 3.37Å; E323-S453 WeakPolarHBondContact OE1-CB 3.41Å; E323-S453 PolarHBondContact OE1-OG 3.15Å
324	Y	87.6	Confident	86.2	Confident	21 Å²	21	62.5 Å²	62.5	8%	0.082	31%	0.313	C	S	.	.	H	α-helix	trans	-59.4	-42.8	173.9	166	-100.9	0	0	0	112.1	S272 R275 V276 A320 L321 F326 V327 N328	S272-Y324 VanDerWaalsContact CB-OH 3.27Å; S272-Y324 WeakPolarHBondContact CB-OH 3.41Å; R275-Y324 HydrophobicContact CB-CD2 3.64Å; R275-Y324 HydrophobicContact CB-CE2 3.94Å; R275-Y324 HydrophobicContact CB-CG 4.03Å; R275-Y324 HydrophobicContact CG-CD2 4.17Å; V276-Y324 HydrophobicContact CG2-CD1 3.98Å; V276-Y324 HydrophobicContact CG2-CE1 3.22Å; A320-Y324 PolarHBondContact O-N 2.69Å; L321-Y324 PolarHBondContact O-N 2.9Å; Y324-F326 VanDerWaalsContact C-N 3.28Å; Y324-F326 PolarHBondContact O-N 2.74Å; Y324-V327 PolarHBondContact O-N 2.88Å; Y324-N328 HydrophobicContact CE1-CB 4.41Å; Y324-N328 HydrophobicContact CE2-CB 4.18Å; Y324-N328 WeakPolarHBondContact O-CB 3.48Å; Y324-N328 PolarHBondContact O-N 3.26Å
325	A	88.3	Confident	84	Confident	47 Å²	47	61.2 Å²	61.2	39%	0.388	32%	0.317	S	S	.	.	H	α-helix	trans	-61.6	-37.7	178.2	0	0	0	0	0	112	L321 L322 E323 Y329	L321-A325 PolarHBondContact O-N 2.62Å; L321-A325 VanDerWaalsContact O-N 3.15Å; L322-A325 PolarHBondContact O-N 2.96Å; E323-A325 VanDerWaalsContact C-N 3.33Å; E323-A325 PolarHBondContact O-N 3.03Å; A325-Y329 VanDerWaalsContact O-CB 3.26Å; A325-Y329 WeakPolarHBondContact O-CB 3.43Å; A325-Y329 PolarHBondContact O-N 3.19Å
326	F	87.3	Confident	81.8	Confident	119 Å²	119	63 Å²	63	52%	0.522	33%	0.331	S	S	.	.	H	α-helix	trans	-70.9	-44	176.5	-174.6	-105.9	0	0	0	112.5	L322 E323 Y324 N328 Y329 I330 I449	L322-F326 WeakPolarHBondContact O-CB 3.19Å; L322-F326 PolarHBondContact O-N 3.16Å; E323-F326 WeakPolarHBondContact O-CB 3.31Å; E323-F326 PolarHBondContact O-N 2.79Å; E323-F326 VanDerWaalsContact O-N 3.16Å; Y324-F326 VanDerWaalsContact C-N 3.28Å; Y324-F326 PolarHBondContact O-N 2.74Å; F326-N328 PolarHBondContact O-N 3.21Å; F326-Y329 PolarHBondContact O-N 2.59Å; F326-I330 HydrophobicContact CD1-CD1 3.94Å; F326-I330 HydrophobicContact CE1-CD1 3.44Å; F326-I330 VanDerWaalsContact CE1-CD1 3.44Å; F326-I330 HydrophobicContact CE2-CD1 4.22Å; F326-I330 HydrophobicContact CZ-CD1 3.61Å; F326-I330 PolarHBondContact O-N 2.88Å; F326-I449 HydrophobicContact CD1-CD1 4.26Å; F326-I449 HydrophobicContact CE1-CD1 4.16Å
327	V	85.4	Confident	79.4	Confident	2 Å²	2	69.1 Å²	69.1	1%	0.012	36%	0.36	C	S	.	.	H	α-helix	trans	-54.6	-50.7	171.1	158.7	0	0	0	0	110.8	E323 Y324 I330 F331 V446 I449	E323-V327 WeakPolarHBondContact O-CB 3.41Å; E323-V327 WeakPolarHBondContact O-CG2 3.36Å; E323-V327 PolarHBondContact O-N 3.01Å; Y324-V327 PolarHBondContact O-N 2.88Å; V327-I330 PolarHBondContact O-N 2.85Å; V327-F331 PolarHBondContact O-N 2.81Å; V327-V446 HydrophobicContact CG1-CG1 3.77Å; V327-I449 HydrophobicContact CG2-CB 4.21Å; V327-I449 HydrophobicContact CG2-CD1 4.35Å; V327-I449 HydrophobicContact CG2-CG2 3.9Å
328	N	85.3	Confident	76.9	Confident	54 Å²	54	77.8 Å²	77.8	29%	0.289	40%	0.398	S	S	.	.	H	α-helix	trans	-65	-40.2	-179.8	-169.3	61.7	0	0	0	112	Y324 F326 F331 F332	Y324-N328 HydrophobicContact CE1-CB 4.41Å; Y324-N328 HydrophobicContact CE2-CB 4.18Å; Y324-N328 WeakPolarHBondContact O-CB 3.48Å; Y324-N328 PolarHBondContact O-N 3.26Å; F326-N328 PolarHBondContact O-N 3.21Å; N328-F331 PolarHBondContact O-N 2.84Å; N328-F332 PolarHBondContact O-N 2.96Å; N328-F332 VanDerWaalsContact OD1-CD2 3.22Å; N328-F332 WeakPolarHBondContact OD1-CD2 3.24Å; N328-F332 VanDerWaalsContact OD1-CE2 3.24Å; N328-F332 WeakPolarHBondContact OD1-CE2 3.37Å
329	Y	85.4	Confident	74.4	Confident	149 Å²	149	81.4 Å²	81.4	58%	0.584	41%	0.413	S	S	*	.	H	α-helix	trans	-67	-38.1	175.6	177.7	-101.9	0	0	0	113	A325 F326 G333 K334	A325-Y329 VanDerWaalsContact O-CB 3.26Å; A325-Y329 WeakPolarHBondContact O-CB 3.43Å; A325-Y329 PolarHBondContact O-N 3.19Å; F326-Y329 PolarHBondContact O-N 2.59Å; Y329-G333 CarbonylContact O-C 3.55Å; Y329-G333 WeakPolarHBondContact O-CA 3.21Å; Y329-G333 PolarHBondContact O-N 2.83Å; Y329-K334 PolarHBondContact O-N 3.47Å
330	I	83.1	Confident	71.8	Confident	37 Å²	37	80.3 Å²	80.3	19%	0.19	42%	0.42	C	S	.	.	H	α-helix	trans	-67.1	-46.6	174.2	-73.6	176.4	0	0	0	110.4	F326 V327 K334 I449	F326-I330 HydrophobicContact CD1-CD1 3.94Å; F326-I330 HydrophobicContact CE1-CD1 3.44Å; F326-I330 VanDerWaalsContact CE1-CD1 3.44Å; F326-I330 HydrophobicContact CE2-CD1 4.22Å; F326-I330 HydrophobicContact CZ-CD1 3.61Å; F326-I330 PolarHBondContact O-N 2.88Å; V327-I330 PolarHBondContact O-N 2.85Å; I330-K334 VanDerWaalsContact O-CB 3.31Å; I330-K334 WeakPolarHBondContact O-CB 3.32Å; I330-K334 PolarHBondContact O-N 2.88Å; I330-K334 VanDerWaalsContact O-N 3.12Å; I330-I449 HydrophobicContact CD1-CD1 3.92Å
331	F	76.3	Confident	69.2	Low	76 Å²	76	82.1 Å²	82.1	33%	0.333	44%	0.435	S	S	.	.	H	α-helix	trans	-65.4	-50.7	-176.2	-175.3	-103.1	0	0	0	113.1	Y269 V327 N328 V446	Y269-F331 HydrophobicContact CD2-CD2 4.46Å; Y269-F331 HydrophobicContact CD2-CE2 4.43Å; Y269-F331 HydrophobicContact CD2-CZ 4.49Å; Y269-F331 HydrophobicContact CE2-CD2 4.08Å; Y269-F331 HydrophobicContact CE2-CE1 4.2Å; Y269-F331 AromaticContact CE2-CE2 3.66Å; Y269-F331 HydrophobicContact CE2-CE2 3.66Å; Y269-F331 AromaticContact CE2-CZ 3.72Å; Y269-F331 HydrophobicContact CE2-CZ 3.72Å; V327-F331 PolarHBondContact O-N 2.81Å; N328-F331 PolarHBondContact O-N 2.84Å; F331-V446 HydrophobicContact CD2-CG2 4.15Å
332	F	73.7	Confident	66.8	Low	136 Å²	136	83.9 Å²	83.9	60%	0.596	45%	0.451	S	S	*	.	H	α-helix	trans	-87.2	-41.5	-179.5	-68.2	-74.3	0	0	0	113	N328 G335	N328-F332 PolarHBondContact O-N 2.96Å; N328-F332 VanDerWaalsContact OD1-CD2 3.22Å; N328-F332 WeakPolarHBondContact OD1-CD2 3.24Å; N328-F332 VanDerWaalsContact OD1-CE2 3.24Å; N328-F332 WeakPolarHBondContact OD1-CE2 3.37Å; F332-G335 PolarHBondContact O-N 2.9Å
333	G	61.2	Low	64.5	Low	52 Å²	52	87.9 Å²	87.9	54%	0.536	47%	0.465	S	S	.	.	H	α-helix	trans	-76.5	-22.4	-176.2	0	0	0	0	0	114.8	Y329	Y329-G333 CarbonylContact O-C 3.55Å; Y329-G333 WeakPolarHBondContact O-CA 3.21Å; Y329-G333 PolarHBondContact O-N 2.83Å
334	K	59	Low	62.1	Low	141 Å²	141	94 Å²	94	61%	0.613	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.8	27.4	166.5	-57.7	178.7	178.8	173.1	0	112.4	Y329 I330	Y329-K334 PolarHBondContact O-N 3.47Å; I330-K334 VanDerWaalsContact O-CB 3.31Å; I330-K334 WeakPolarHBondContact O-CB 3.32Å; I330-K334 PolarHBondContact O-N 2.88Å; I330-K334 VanDerWaalsContact O-N 3.12Å
335	G	48	Very low	60	Low	38 Å²	38	98.5 Å²	98.5	39%	0.392	52%	0.519	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.9	150.4	171.9	0	0	0	0	0	112.5	F332 Q337	F332-G335 PolarHBondContact O-N 2.9Å; G335-Q337 PolarHBondContact O-N 3.33Å; G335-Q337 VanDerWaalsContact O-N 3.1Å
336	P	50.1	Low	58	Low	115 Å²	115	102.9 Å²	102.9	75%	0.747	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	110.5	-141.3	18.7	-33.6	0	0	0	114.5	K338	P336-K338 PolarHBondContact O-N 2.76Å
337	Q	44.8	Very low	55.9	Low	154 Å²	154	100.4 Å²	100.4	72%	0.72	53%	0.529	S	S	*	.			trans	-50.4	135.6	163.8	-81	-167.2	-17.9	0	0	110	G335 K339	G335-Q337 PolarHBondContact O-N 3.33Å; G335-Q337 VanDerWaalsContact O-N 3.1Å; Q337-K339 PolarHBondContact O-N 3.1Å
338	K	44.5	Very low	54	Low	183 Å²	183	102.6 Å²	102.6	80%	0.796	55%	0.547	S	S	*	.			trans	-69	54.7	-179.9	-67.3	-176.7	176.5	177.9	0	113.8	P336 G340 A341	P336-K338 PolarHBondContact O-N 2.76Å; K338-G340 PolarHBondContact O-N 3.17Å; K338-A341 HydrophobicContact CB-CB 4.14Å; K338-A341 PolarHBondContact O-N 2.73Å
339	K	41.2	Very low	52	Low	168 Å²	168	105.6 Å²	105.6	73%	0.73	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.7	1	170.8	-70.4	-174.9	177.3	176.9	0	113.8	Q337	Q337-K339 PolarHBondContact O-N 3.1Å
340	G	39.7	Very low	50.1	Low	53 Å²	53	106.1 Å²	106.1	55%	0.546	57%	0.571	S	S	.	*	T	Hydrogen-bonded Turn	trans	-88.5	-27.2	166.3	0	0	0	0	0	114.9	K338	K338-G340 PolarHBondContact O-N 3.17Å
341	A	38.5	Very low	48.1	Very low	43 Å²	43	111.8 Å²	111.8	36%	0.355	59%	0.594	S	S	.	*	H	α-helix	trans	-69.4	-50.4	-173.3	0	0	0	0	0	112.1	K338 K343 Q344 D345	K338-A341 HydrophobicContact CB-CB 4.14Å; K338-A341 PolarHBondContact O-N 2.73Å; A341-K343 PolarHBondContact O-N 2.81Å; A341-Q344 PolarHBondContact O-N 3.25Å; A341-D345 PolarHBondContact O-N 2.83Å
342	S	40.7	Very low	46.5	Very low	78 Å²	78	113.4 Å²	113.4	55%	0.545	61%	0.606	S	S	.	*	H	α-helix	trans	-64.3	-13.8	-174.3	53.6	0	0	0	0	115.7
343	K	43.5	Very low	44.7	Very low	165 Å²	165	115.5 Å²	115.5	72%	0.717	62%	0.615	S	S	*	*	H	α-helix	trans	-97.3	-16.5	173.7	-79.8	-165.1	170.9	-170.5	0	114.4	A341	A341-K343 PolarHBondContact O-N 2.81Å
344	Q	41.2	Very low	43.8	Very low	144 Å²	144	120.3 Å²	120.3	67%	0.673	63%	0.628	S	S	*	*	H	α-helix	trans	-87.5	-40	179.8	-158.4	154.9	-4.5	0	0	111	A341 Q346 S347 A348	A341-Q344 PolarHBondContact O-N 3.25Å; Q344-Q346 VanDerWaalsContact C-N 3.35Å; Q344-Q346 PolarHBondContact O-N 3.28Å; Q344-S347 PolarHBondContact O-N 3.36Å; Q344-S347 VanDerWaalsContact O-N 3.16Å; Q344-S347 PolarHBondContact O-OG 2.85Å; Q344-A348 PolarHBondContact O-N 3.02Å
345	D	43.2	Very low	42.8	Very low	114 Å²	114	121.5 Å²	121.5	61%	0.61	64%	0.636	S	S	*	*	H	α-helix	trans	-64	-35.7	177.7	-62.8	-31.6	0	0	0	113	A341 S347 A348 N349	A341-D345 PolarHBondContact O-N 2.83Å; D345-S347 VanDerWaalsContact C-N 3.32Å; D345-S347 PolarHBondContact O-N 2.97Å; D345-A348 PolarHBondContact O-N 2.96Å; D345-N349 PolarHBondContact O-N 3.16Å
346	Q	44.8	Very low	42.1	Very low	140 Å²	140	127.8 Å²	127.8	65%	0.654	66%	0.657	S	S	*	*	H	α-helix	trans	-59.7	-41.7	174.1	-73.1	-175.8	-25.3	0	0	111.9	Q344 A348 N349 E350	Q344-Q346 VanDerWaalsContact C-N 3.35Å; Q344-Q346 PolarHBondContact O-N 3.28Å; Q346-A348 VanDerWaalsContact C-N 3.3Å; Q346-A348 PolarHBondContact O-N 3Å; Q346-N349 PolarHBondContact O-N 3.47Å; Q346-E350 PolarHBondContact O-N 3.07Å
347	S	44.4	Very low	41.4	Very low	66 Å²	66	129.6 Å²	129.6	46%	0.462	66%	0.66	S	S	.	*	H	α-helix	trans	-72.9	-19.5	179.2	73.8	0	0	0	0	114.4	Q344 D345	Q344-S347 PolarHBondContact O-N 3.36Å; Q344-S347 VanDerWaalsContact O-N 3.16Å; Q344-S347 PolarHBondContact O-OG 2.85Å; D345-S347 VanDerWaalsContact C-N 3.32Å; D345-S347 PolarHBondContact O-N 2.97Å
348	A	45.8	Very low	41	Very low	48 Å²	48	131.6 Å²	131.6	40%	0.397	67%	0.667	S	S	.	*	H	α-helix	trans	-81.4	-41.3	172.1	0	0	0	0	0	111.2	Q344 D345 Q346 E350 K351 N352	Q344-A348 PolarHBondContact O-N 3.02Å; D345-A348 PolarHBondContact O-N 2.96Å; Q346-A348 VanDerWaalsContact C-N 3.3Å; Q346-A348 PolarHBondContact O-N 3Å; A348-E350 PolarHBondContact O-N 2.7Å; A348-K351 PolarHBondContact O-N 3.04Å; A348-N352 PolarHBondContact O-N 3.31Å
349	N	42.8	Very low	40.3	Very low	118 Å²	118	129.4 Å²	129.4	63%	0.631	67%	0.668	S	S	*	*	H	α-helix	trans	-70.1	-30.2	-174.4	-150.4	6.1	0	0	0	113.1	D345 Q346 K353	D345-N349 PolarHBondContact O-N 3.16Å; Q346-N349 PolarHBondContact O-N 3.47Å; N349-K353 PolarHBondContact O-N 3.05Å
350	E	44.6	Very low	39.6	Very low	160 Å²	160	129.6 Å²	129.6	75%	0.748	67%	0.672	S	S	*	*	H	α-helix	trans	-65.3	-35.5	171	-82.9	-168.3	123.6	0	0	113.2	Q346 A348	Q346-E350 PolarHBondContact O-N 3.07Å; A348-E350 PolarHBondContact O-N 2.7Å
351	K	42.7	Very low	39.1	Very low	156 Å²	156	133.4 Å²	133.4	68%	0.678	68%	0.684	S	S	*	*	H	α-helix	trans	-72.2	-44.8	-179.3	-71.8	-169.4	173.4	-170.4	0	112.3	A348 K353 L354	A348-K351 PolarHBondContact O-N 3.04Å; K351-K353 PolarHBondContact O-N 2.83Å; K351-K353 VanDerWaalsContact O-N 3.16Å; K351-L354 PolarHBondContact O-N 3.33Å
352	N	41.1	Very low	38.6	Very low	110 Å²	110	138.3 Å²	138.3	59%	0.588	70%	0.704	S	S	*	*	H	α-helix	trans	-61.1	-26.8	178.5	-67.5	1.9	0	0	0	112.2	A348 L354	A348-N352 PolarHBondContact O-N 3.31Å; N352-L354 VanDerWaalsContact C-N 3.32Å; N352-L354 PolarHBondContact O-N 3.24Å
353	K	37.3	Very low	38.2	Very low	179 Å²	179	138.3 Å²	138.3	78%	0.778	71%	0.709	S	S	*	*	H	α-helix	trans	-77	-11.6	177.2	-156.5	174.9	-178.1	-177.4	0	114.3	N349 K351	N349-K353 PolarHBondContact O-N 3.05Å; K351-K353 PolarHBondContact O-N 2.83Å; K351-K353 VanDerWaalsContact O-N 3.16Å
354	L	41.4	Very low	37.6	Very low	153 Å²	153	139.9 Å²	139.9	80%	0.801	72%	0.719	S	S	*	*	H	α-helix	trans	-96	-28.5	-180	-147.6	80.6	0	0	0	113.7	K351 N352	K351-L354 PolarHBondContact O-N 3.33Å; N352-L354 VanDerWaalsContact C-N 3.32Å; N352-L354 PolarHBondContact O-N 3.24Å
355	E	37.6	Very low	37.2	Very low	167 Å²	167	136.2 Å²	136.2	78%	0.78	72%	0.719	S	S	*	*	H	α-helix	trans	-88.3	-24	-179.3	-65.2	-170.5	148.6	0	0	113.4	N357	E355-N357 PolarHBondContact O-N 3.01Å
356	M	34.6	Very low	36.6	Very low	170 Å²	170	138.9 Å²	138.9	84%	0.837	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77	35.8	-177.5	-155.4	-177.5	75.7	0	0	114.2
357	N	35.8	Very low	35.9	Very low	153 Å²	153	139.7 Å²	139.7	82%	0.818	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.4	16.1	-175.9	-132.4	6	0	0	0	113.2	E355	E355-N357 PolarHBondContact O-N 3.01Å
358	K	35.5	Very low	35.3	Very low	196 Å²	196	144.6 Å²	144.6	85%	0.852	76%	0.761	S	S	*	*			trans	-151.4	53.6	-177.5	-152.4	-178.2	-176.4	-178.5	0	115.5
359	V	29.1	Very low	34.5	Very low	137 Å²	137	149.3 Å²	149.3	83%	0.83	78%	0.778	S	S	*	*			trans	-129.2	121.6	158.7	-175.6	0	0	0	0	108.7
360	Q	28	Very low	33.9	Very low	171 Å²	171	149.2 Å²	149.2	80%	0.799	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-97.6	141.1	175.8	-178.5	173.6	-28.6	0	0	108.2
361	V	27.9	Very low	33.2	Very low	133 Å²	133	147.6 Å²	147.6	81%	0.806	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-100	116.7	-176.3	-179.3	0	0	0	0	109.8
362	D	28.1	Very low	32.5	Very low	146 Å²	146	147.1 Å²	147.1	78%	0.781	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-100	157.3	163.9	-82.1	-47.8	0	0	0	110.7
363	A	33.7	Very low	31.8	Very low	78 Å²	78	151.2 Å²	151.2	65%	0.645	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-98.4	163.7	-173.7	0	0	0	0	0	113.7
364	H	31.1	Very low	31.6	Very low	199 Å²	199	149.3 Å²	149.3	92%	0.921	81%	0.805	S	S	*	*			trans	82.7	140.7	-179.3	-47.2	87	0	0	0	116
365	G	31.1	Very low	31.1	Very low	66 Å²	66	152.5 Å²	152.5	68%	0.68	81%	0.806	S	S	*	*			trans	125.2	54.3	151.9	0	0	0	0	0	120.3
366	N	30.6	Very low	30.8	Very low	170 Å²	170	151.3 Å²	151.3	91%	0.909	81%	0.805	S	S	*	*			trans	68	154.9	151.9	-56.9	-19.3	0	0	0	120
367	I	31.1	Very low	30.5	Very low	157 Å²	157	150.7 Å²	150.7	81%	0.805	80%	0.8	S	S	*	*			trans	-104.8	146.8	178.8	-65.1	166.1	0	0	0	109.2
368	L	30.7	Very low	30.4	Very low	170 Å²	170	149.6 Å²	149.6	89%	0.89	80%	0.8	S	S	*	*			trans	-131.4	146	159.6	-111.7	170.8	0	0	0	110.7
369	L	29.7	Very low	30	Very low	146 Å²	146	144.4 Å²	144.4	76%	0.764	80%	0.801	S	S	*	*			trans	-73.5	148.9	-163.8	-98.5	63.5	0	0	0	114.4
370	S	29.3	Very low	30	Very low	116 Å²	116	141.6 Å²	141.6	81%	0.811	80%	0.8	S	S	*	*			trans	-112.9	139.6	141.3	-166.8	0	0	0	0	108
371	T	31.6	Very low	30	Very low	126 Å²	126	139.1 Å²	139.1	77%	0.773	80%	0.802	S	S	*	*			trans	-83.7	128.3	-167.9	46.3	0	0	0	0	113
372	L	27.8	Very low	30.1	Very low	146 Å²	146	141.9 Å²	141.9	76%	0.764	81%	0.806	S	S	*	*			trans	-88.9	144.7	168	-81.5	164.8	0	0	0	111.1	I374	L372-I374 HydrophobicContact CD2-CD1 4.23Å; L372-I374 HydrophobicContact CD2-CG1 4.35Å
373	E	26.4	Very low	30.2	Very low	196 Å²	196	141.2 Å²	141.2	92%	0.916	81%	0.807	S	S	*	*			trans	-131.8	138.2	148.1	-73.5	-163.8	144.3	0	0	109.1
374	I	32.4	Very low	30	Very low	140 Å²	140	145 Å²	145	72%	0.718	82%	0.815	S	S	*	*			trans	-133.7	111.5	-176.3	-65.3	-178.8	0	0	0	110.2	L372	L372-I374 HydrophobicContact CD2-CD1 4.23Å; L372-I374 HydrophobicContact CD2-CG1 4.35Å
375	R	30.6	Very low	29.9	Very low	219 Å²	219	141.2 Å²	141.2	83%	0.826	81%	0.806	S	S	*	*			trans	18.3	136.8	134.4	-173.9	-179.2	-173.1	146.4	2.1	120.5
376	N	31.2	Very low	29.8	Very low	143 Å²	143	143.7 Å²	143.7	77%	0.765	81%	0.813	S	S	*	*			trans	-150.1	135.6	139.8	-93.2	-17.9	0	0	0	108
377	E	29.8	Very low	29.7	Very low	156 Å²	156	142.1 Å²	142.1	73%	0.729	81%	0.81	S	S	*	*				73.2	147.7	76.2	-60.7	-158.5	168.7	0	0	113.8
378	T	32	Very low	29.7	Very low	131 Å²	131	140 Å²	140	80%	0.804	81%	0.809	S	S	*	*			cis	-154.6	161.8	27.7	52.2	0	0	0	0	114.7
379	G	28.4	Very low	29.6	Very low	86 Å²	86	139.1 Å²	139.1	89%	0.887	81%	0.805	S	S	*	*			trans	82.4	162.2	153.1	0	0	0	0	0	118.7
380	G	28	Very low	30.2	Very low	79 Å²	79	137 Å²	137	81%	0.814	80%	0.8	S	S	*	*			cis	177.2	154.9	-6.1	0	0	0	0	0	112
381	S	29.2	Very low	30.2	Very low	119 Å²	119	140.7 Å²	140.7	83%	0.832	80%	0.802	S	S	*	*			trans	-77.7	175.4	-175.6	-52.3	0	0	0	0	113.9
382	E	28.4	Very low	30.2	Very low	191 Å²	191	139.1 Å²	139.1	89%	0.893	80%	0.801	S	S	*	*			cis	-144.9	-133.8	30.8	-61.8	-172.7	132.1	0	0	115.8
383	V	30.8	Very low	30.4	Very low	131 Å²	131	138.3 Å²	138.3	79%	0.794	80%	0.803	S	S	*	*			trans	-144.7	140.8	-148	168.4	0	0	0	0	113.8
384	L	29.5	Very low	30.6	Very low	157 Å²	157	137 Å²	137	82%	0.822	80%	0.798	S	S	*	*			trans	-178.2	165.9	130.7	-138.2	63.5	0	0	0	115.1
385	T	29.7	Very low	30.5	Very low	120 Å²	120	140.4 Å²	140.4	74%	0.736	80%	0.804	S	S	*	*			trans	-34.9	158.3	170.9	55.3	0	0	0	0	117.9
386	S	27.7	Very low	30.5	Very low	118 Å²	118	135.3 Å²	135.3	83%	0.825	80%	0.802	S	S	*	*				-168.7	177.4	50.8	62.1	0	0	0	0	116.8
387	V	29.9	Very low	30.5	Very low	138 Å²	138	138.9 Å²	138.9	84%	0.836	81%	0.806	S	S	*	*			trans	-60.1	137.8	-177.3	175.8	0	0	0	0	116.9
388	S	30.1	Very low	30.5	Very low	113 Å²	113	138.2 Å²	138.2	79%	0.79	81%	0.807	S	S	*	*				171.4	136.9	125.7	60.1	0	0	0	0	116.2
389	D	28.9	Very low	30.5	Very low	150 Å²	150	136.6 Å²	136.6	80%	0.802	80%	0.802	S	S	*	*			trans	-80.7	169.5	155.5	-122.3	-28.6	0	0	0	109.4
390	P	42.4	Very low	30.7	Very low	102 Å²	102	137 Å²	137	66%	0.662	80%	0.797	S	S	*	*			cis	-151.6	177.3	32.5	44	-22.7	0	0	0	120.4
391	K	30	Very low	30.8	Very low	194 Å²	194	139.2 Å²	139.2	84%	0.843	80%	0.799	S	S	*	*			trans	80.2	134.6	139.7	-90.5	171.4	178.8	176.5	0	123.7
392	A	29.8	Very low	30.9	Very low	92 Å²	92	140.6 Å²	140.6	76%	0.76	80%	0.796	S	S	*	*			trans	69.1	148.2	150.9	0	0	0	0	0	117.2
393	T	33.7	Very low	31	Very low	130 Å²	130	141 Å²	141	80%	0.798	80%	0.798	S	S	*	*			cis	-155.1	172.8	6.6	-14.2	0	0	0	0	107.5
394	M	30.5	Very low	30.9	Very low	168 Å²	168	145.1 Å²	145.1	83%	0.828	80%	0.801	S	S	*	*			cis	-156.6	-177.7	6.5	-161.3	163.8	69.6	0	0	109.7
395	Y	30.7	Very low	30.8	Very low	212 Å²	212	149.1 Å²	149.1	83%	0.831	81%	0.805	S	S	*	*			trans	-105.5	157.4	171.1	-87.8	-94	0	0	0	113.2
396	S	30	Very low	31	Very low	112 Å²	112	152.5 Å²	152.5	78%	0.783	81%	0.809	S	S	*	*			trans	-149.2	125.1	158.3	59.8	0	0	0	0	112.7
397	Y	30.8	Very low	31.5	Very low	217 Å²	217	152.9 Å²	152.9	85%	0.851	81%	0.809	S	S	*	*			trans	-72.4	173.1	153.9	-81.7	-119.1	0	0	0	108.7
398	D	29.4	Very low	31.5	Very low	142 Å²	142	154.5 Å²	154.5	76%	0.759	81%	0.812	S	S	*	*			cis	-144.2	-161.2	9.7	-156.2	33.3	0	0	0	107.7
399	S	31.7	Very low	31.5	Very low	98 Å²	98	154.2 Å²	154.2	69%	0.685	81%	0.81	S	S	*	*			cis	-157	-169.8	5.9	69.8	0	0	0	0	111
400	A	33.7	Very low	31.5	Very low	95 Å²	95	153.2 Å²	153.2	79%	0.785	82%	0.815	S	S	*	*			trans	-145.4	147.2	173.7	0	0	0	0	0	114
401	S	29.9	Very low	30.9	Very low	124 Å²	124	159.5 Å²	159.5	87%	0.867	83%	0.825	S	S	*	*			trans	-154	124	160.7	53.7	0	0	0	0	115.9
402	I	31.9	Very low	30.9	Very low	148 Å²	148	159.4 Å²	159.4	76%	0.759	83%	0.828	S	S	*	*			trans	-53.2	149.9	172.6	-67.1	148.9	0	0	0	114.9
403	Q	29	Very low	30.9	Very low	200 Å²	200	159.5 Å²	159.5	94%	0.935	83%	0.828	S	S	*	*				-162	163.4	130	-109.3	171.4	44.8	0	0	115.9
404	Y	28.8	Very low	30.7	Very low	218 Å²	218	163.3 Å²	163.3	86%	0.855	83%	0.83	S	S	*	*			trans	-116.1	155.1	-159.8	-116.2	-109.9	0	0	0	112.9
405	R	28.6	Very low	30.7	Very low	240 Å²	240	158.9 Å²	158.9	91%	0.906	83%	0.828	S	S	*	*			trans	-157.6	136.4	148.5	-132	171.3	-174.2	165.2	2.9	116.2
406	K	32.6	Very low	30.7	Very low	192 Å²	192	158.8 Å²	158.8	84%	0.835	83%	0.825	S	S	*	*			trans	-135.7	160.7	153.1	-91.6	-170.5	174.6	-178.1	0	107.3
407	P	38.9	Very low	30.7	Very low	126 Å²	126	159.8 Å²	159.8	82%	0.818	83%	0.827	S	S	*	*				-138.7	-143.5	114.7	38.2	-24.2	0	0	0	113.1
408	L	29.3	Very low	30.9	Very low	172 Å²	172	156.2 Å²	156.2	90%	0.901	82%	0.822	S	S	*	*			trans	-130.1	179.4	-146.5	-152.3	66.2	0	0	0	114.4
409	S	31.4	Very low	30.9	Very low	106 Å²	106	155.8 Å²	155.8	74%	0.741	82%	0.82	S	S	*	*			trans	-78.6	158.9	-171.9	56	0	0	0	0	117.6
410	S	29.1	Very low	30.8	Very low	129 Å²	129	161.1 Å²	161.1	90%	0.902	83%	0.825	S	S	*	*			trans	-149.7	-177.5	145.6	61.4	0	0	0	0	111.1
411	R	29.4	Very low	30.6	Very low	234 Å²	234	165.5 Å²	165.5	88%	0.883	83%	0.829	S	S	*	*			trans	-153.7	128.8	-154.1	163	-166.5	169.7	-168.8	-2	113
412	E	28.8	Very low	30.6	Very low	192 Å²	192	163.1 Å²	163.1	90%	0.897	82%	0.824	S	S	*	*			trans	-174.6	164.3	167.8	-104.9	154.1	-152	0	0	108.5
413	A	30.1	Very low	30.8	Very low	94 Å²	94	163 Å²	163	78%	0.777	83%	0.83	S	S	*	*			cis	-160.4	176.8	-28.8	0	0	0	0	0	109.8
414	Y	29.2	Very low	31.1	Very low	210 Å²	210	159.2 Å²	159.2	82%	0.824	82%	0.822	S	S	*	*			trans	-64.3	147.9	-167.9	-100.3	-103	0	0	0	117.3	R416	Y414-R416 HydrophobicContact CD1-CG 4.48Å
415	G	31.8	Very low	31.2	Very low	76 Å²	76	154.7 Å²	154.7	78%	0.784	82%	0.822	S	S	*	*			trans	-154	131.5	155.4	0	0	0	0	0	111.1
416	R	30.4	Very low	31.4	Very low	209 Å²	209	153 Å²	153	79%	0.789	82%	0.822	S	S	*	*			trans	-128	140.1	178.2	-73.7	179	171.8	178.8	-1.5	109.9	Y414	Y414-R416 HydrophobicContact CD1-CG 4.48Å
417	T	30.1	Very low	31.3	Very low	133 Å²	133	147.5 Å²	147.5	82%	0.816	82%	0.82	S	S	*	*				-174.1	146.8	127.5	24.8	0	0	0	0	114.1
418	L	34.8	Very low	31.3	Very low	143 Å²	143	153.5 Å²	153.5	75%	0.749	83%	0.826	S	S	*	*			trans	42.7	113.3	150.4	-85.8	79.5	0	0	0	123.8
419	D	29.4	Very low	31.8	Very low	133 Å²	133	152.5 Å²	152.5	71%	0.711	82%	0.82	S	S	*	*				70.2	117.6	112.4	-85	-49.8	0	0	0	125.2
420	R	30.1	Very low	32.1	Very low	210 Å²	210	158.9 Å²	158.9	79%	0.792	83%	0.828	S	S	*	*				84.8	100.9	114.7	-162.5	169.5	178.1	158.4	-2.5	121.7
421	H	28.8	Very low	32.7	Very low	186 Å²	186	163.7 Å²	163.7	86%	0.861	83%	0.826	S	S	*	*			trans	50.4	108.2	144.2	-65.6	-50.6	0	0	0	121.1
422	G	30.6	Very low	33	Very low	74 Å²	74	164 Å²	164	76%	0.763	83%	0.828	S	S	*	*			trans	-152	142.7	154.5	0	0	0	0	0	110.6
423	V	36.2	Very low	33.4	Very low	147 Å²	147	159.2 Å²	159.2	89%	0.891	82%	0.821	S	S	*	*			trans	-110	133	-170.3	175.4	0	0	0	0	112.3
424	P	34.8	Very low	33.7	Very low	119 Å²	119	160.2 Å²	160.2	77%	0.773	82%	0.822	S	S	*	*			trans	-100.7	156.4	159.1	35.5	-29.9	0	0	0	113
425	S	30.1	Very low	34.1	Very low	123 Å²	123	158.5 Å²	158.5	86%	0.86	82%	0.822	S	S	*	*			trans	-88.7	177.3	-169.8	-163.6	0	0	0	0	115
426	K	32.9	Very low	34.5	Very low	204 Å²	204	162 Å²	162	89%	0.887	82%	0.822	S	S	*	*			trans	-80	123	-166.4	-63.4	164.1	-177.9	165	0	113.8
427	G	32.1	Very low	34.5	Very low	78 Å²	78	160.4 Å²	160.4	80%	0.804	82%	0.82	S	S	*	*			trans	-105.5	118.5	158.2	0	0	0	0	0	111.4
428	R	37.3	Very low	35	Very low	251 Å²	251	159.1 Å²	159.1	95%	0.947	81%	0.812	S	S	*	*			trans	-90.7	110.3	177.9	-87.8	-179.6	165.9	173.1	-3.9	111.4
429	I	39.9	Very low	35	Very low	152 Å²	152	161.5 Å²	161.5	78%	0.779	82%	0.817	S	S	*	*			trans	-120	106	161.5	-60.7	-177.9	0	0	0	109.3	R431	I429-R431 HydrophobicContact CG2-CG 4.37Å; I429-R431 PolarHBondContact O-N 2.64Å; I429-R431 VanDerWaalsContact O-N 3.16Å
430	R	38.8	Very low	35.8	Very low	240 Å²	240	161.2 Å²	161.2	91%	0.906	81%	0.814	S	S	*	*			trans	-87.8	73.4	-173.9	-168.4	-174.5	-171.6	-178.1	4.3	111.4	R432	R430-R432 PolarHBondContact O-N 3.14Å; R430-R432 VanDerWaalsContact O-N 3.15Å
431	R	41.2	Very low	36.3	Very low	229 Å²	229	155.7 Å²	155.7	86%	0.864	81%	0.805	S	S	*	*			trans	-63.6	113.4	171.6	-75.5	-174	174.8	176.1	-1.1	110.1	I429 A433	I429-R431 HydrophobicContact CG2-CG 4.37Å; I429-R431 PolarHBondContact O-N 2.64Å; I429-R431 VanDerWaalsContact O-N 3.16Å; R431-A433 PolarHBondContact O-N 2.67Å
432	R	36.1	Very low	37	Very low	241 Å²	241	153.1 Å²	153.1	91%	0.909	80%	0.798	S	S	*	*			trans	-71.7	99.7	165.4	-86	-179.6	165.7	168.7	-4.8	108.4	R430 S434	R430-R432 PolarHBondContact O-N 3.14Å; R430-R432 VanDerWaalsContact O-N 3.15Å; R432-S434 PolarHBondContact O-N 3.29Å
433	A	36.2	Very low	37.9	Very low	92 Å²	92	153.9 Å²	153.9	76%	0.76	78%	0.784	S	S	*	*			trans	-73.8	111.7	158.7	0	0	0	0	0	108	R431 Q435	R431-A433 PolarHBondContact O-N 2.67Å; A433-Q435 PolarHBondContact O-N 3.02Å
434	S	36.9	Very low	38.8	Very low	114 Å²	114	150.6 Å²	150.6	80%	0.797	76%	0.764	S	S	*	*			trans	-67.4	111.3	167.6	32.6	0	0	0	0	108.4	R432 L436	R432-S434 PolarHBondContact O-N 3.29Å; S434-L436 VanDerWaalsContact C-N 3.35Å; S434-L436 PolarHBondContact O-N 3.39Å
435	Q	37.2	Very low	39.6	Very low	174 Å²	174	151 Å²	151	81%	0.813	76%	0.76	S	S	*	*			trans	-66.5	99.7	167.6	-75.6	-166.7	-6.2	0	0	108.3	A433 K437	A433-Q435 PolarHBondContact O-N 3.02Å; Q435-K437 PolarHBondContact O-N 2.76Å
436	L	40.2	Very low	40.9	Very low	150 Å²	150	145.8 Å²	145.8	79%	0.785	72%	0.723	S	S	*	*			trans	-71.8	75.1	168.9	-157	164.5	0	0	0	107.4	S434 V438	S434-L436 VanDerWaalsContact C-N 3.35Å; S434-L436 PolarHBondContact O-N 3.39Å; L436-V438 VanDerWaalsContact C-N 3.25Å; L436-V438 HydrophobicContact CD2-CG2 3.75Å; L436-V438 PolarHBondContact O-N 3.11Å
437	K	32.2	Very low	42.3	Very low	175 Å²	175	139.6 Å²	139.6	76%	0.761	70%	0.7	S	S	*	*			trans	-72.7	84.6	-178	-170.1	171.4	-173.5	172.6	0	108	Q435 K439	Q435-K437 PolarHBondContact O-N 2.76Å; K437-K439 PolarHBondContact O-N 3.32Å
438	V	39.5	Very low	44.2	Very low	107 Å²	107	139.2 Å²	139.2	65%	0.648	69%	0.685	S	S	*	*			trans	-53.1	103.3	172	178.6	0	0	0	0	107.5	L436 I440	L436-V438 VanDerWaalsContact C-N 3.25Å; L436-V438 HydrophobicContact CD2-CG2 3.75Å; L436-V438 PolarHBondContact O-N 3.11Å; V438-I440 VanDerWaalsContact C-N 3.26Å; V438-I440 PolarHBondContact O-N 3.3Å
439	K	35.4	Very low	46.1	Very low	192 Å²	192	129.2 Å²	129.2	84%	0.835	65%	0.65	S	S	*	*			trans	-70.6	94.6	163.6	-80.2	-170	173	-172.1	0	106.3	K437 P441	K437-K439 PolarHBondContact O-N 3.32Å; K439-P441 WeakPolarHBondContact O-CD 3.16Å
440	I	46.6	Very low	48.2	Very low	127 Å²	127	122.2 Å²	122.2	65%	0.651	61%	0.613	S	S	*	*			trans	-48.3	119.9	159.6	-57.2	172.4	0	0	0	105.8	V438 L443	V438-I440 VanDerWaalsContact C-N 3.26Å; V438-I440 PolarHBondContact O-N 3.3Å; I440-L443 HydrophobicContact CG2-CD1 4.1Å
441	P	40.4	Very low	50.3	Low	94 Å²	94	117.9 Å²	117.9	61%	0.61	60%	0.601	S	S	*	*			trans	-60.1	154.3	174.7	-22.7	34.7	0	0	0	110.4	K439 L443	K439-P441 WeakPolarHBondContact O-CD 3.16Å; P441-L443 PolarHBondContact O-N 3.44Å; P441-L443 VanDerWaalsContact O-N 3.08Å
442	D	43.2	Very low	52.4	Low	132 Å²	132	114 Å²	114	71%	0.706	59%	0.587	S	S	*	*			trans	-60.8	115.7	-169.2	-135.5	-56.1	0	0	0	112	T444	D442-T444 PolarHBondContact O-N 2.96Å; D442-T444 VanDerWaalsContact O-N 3.08Å; D442-T444 WeakPolarHBondContact OD1-CG2 3.4Å; D442-T444 PolarHBondContact OD1-OG1 2.84Å
443	L	49.8	Very low	54.8	Low	90 Å²	90	102.8 Å²	102.8	47%	0.471	55%	0.545	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	18.2	-169.2	-133.6	151.4	0	0	0	112	Y269 I440 P441	Y269-L443 HydrophobicContact CE1-CD2 3.81Å; I440-L443 HydrophobicContact CG2-CD1 4.1Å; P441-L443 PolarHBondContact O-N 3.44Å; P441-L443 VanDerWaalsContact O-N 3.08Å
444	T	53.1	Low	57.4	Low	78 Å²	78	101.7 Å²	101.7	48%	0.479	52%	0.521	S	S	.	.	H	α-helix	trans	-103.1	-39.4	-161.7	44.8	0	0	0	0	113.2	D442 S448	D442-T444 PolarHBondContact O-N 2.96Å; D442-T444 VanDerWaalsContact O-N 3.08Å; D442-T444 WeakPolarHBondContact OD1-CG2 3.4Å; D442-T444 PolarHBondContact OD1-OG1 2.84Å; T444-S448 WeakPolarHBondContact O-CB 3.46Å; T444-S448 PolarHBondContact O-N 2.83Å; T444-S448 PolarHBondContact O-OG 2.94Å
445	D	53.2	Low	59.8	Low	128 Å²	128	101.6 Å²	101.6	68%	0.684	51%	0.51	S	S	*	.	H	α-helix	trans	-65.7	-44.9	179.5	-84.4	-22.2	0	0	0	112.2	S448 I449	D445-S448 WeakPolarHBondContact O-CB 3.38Å; D445-S448 PolarHBondContact O-N 2.92Å; D445-I449 PolarHBondContact O-N 3.16Å
446	V	56.8	Low	62.4	Low	13 Å²	13	97.7 Å²	97.7	8%	0.079	49%	0.49	C	S	.	.	H	α-helix	trans	-66.8	-47.8	-175.3	-175.7	0	0	0	0	111.7	Y269 V327 F331 S448 I449 D450	Y269-V446 HydrophobicContact CD1-CB 4.28Å; Y269-V446 HydrophobicContact CD1-CG1 3.65Å; Y269-V446 HydrophobicContact CE1-CB 4.44Å; Y269-V446 HydrophobicContact CE1-CG1 4.28Å; Y269-V446 HydrophobicContact CG-CG1 3.94Å; V327-V446 HydrophobicContact CG1-CG1 3.77Å; F331-V446 HydrophobicContact CD2-CG2 4.15Å; V446-S448 PolarHBondContact O-N 2.95Å; V446-I449 WeakPolarHBondContact O-CB 3.31Å; V446-I449 PolarHBondContact O-N 3.26Å; V446-D450 PolarHBondContact O-N 2.79Å
447	N	62.5	Low	64.9	Low	75 Å²	75	91.4 Å²	91.4	40%	0.401	46%	0.457	S	S	.	.	H	α-helix	trans	-67.6	-16	178.3	-163.6	7.3	0	0	0	112	K451 R454	N447-K451 WeakPolarHBondContact O-CB 3.47Å; N447-K451 PolarHBondContact O-N 3.31Å; N447-R454 PolarHBondContact OD1-NH2 3.16Å
448	S	70.9	Confident	67.7	Low	70 Å²	70	85.2 Å²	85.2	49%	0.49	43%	0.434	S	S	.	.	H	α-helix	trans	-74.5	-30.5	172.3	-63.7	0	0	0	0	112.7	T444 D445 V446 W452	T444-S448 WeakPolarHBondContact O-CB 3.46Å; T444-S448 PolarHBondContact O-N 2.83Å; T444-S448 PolarHBondContact O-OG 2.94Å; D445-S448 WeakPolarHBondContact O-CB 3.38Å; D445-S448 PolarHBondContact O-N 2.92Å; V446-S448 PolarHBondContact O-N 2.95Å; S448-W452 PolarHBondContact O-N 3.1Å
449	I	79	Confident	70.3	Confident	41 Å²	41	85.1 Å²	85.1	21%	0.21	43%	0.429	C	S	.	.	H	α-helix	trans	-67.5	-57.4	172.1	-56.9	173.7	0	0	0	109	F326 V327 I330 D445 V446 K451 W452 S453	F326-I449 HydrophobicContact CD1-CD1 4.26Å; F326-I449 HydrophobicContact CE1-CD1 4.16Å; V327-I449 HydrophobicContact CG2-CB 4.21Å; V327-I449 HydrophobicContact CG2-CD1 4.35Å; V327-I449 HydrophobicContact CG2-CG2 3.9Å; I330-I449 HydrophobicContact CD1-CD1 3.92Å; D445-I449 PolarHBondContact O-N 3.16Å; V446-I449 WeakPolarHBondContact O-CB 3.31Å; V446-I449 PolarHBondContact O-N 3.26Å; I449-K451 PolarHBondContact O-N 3.4Å; I449-K451 VanDerWaalsContact O-N 3.16Å; I449-W452 PolarHBondContact O-N 3.25Å; I449-S453 PolarHBondContact O-N 3.06Å; I449-S453 PolarHBondContact O-OG 3Å; I449-S453 VanDerWaalsContact O-OG 3.08Å
450	D	82.5	Confident	73.1	Confident	4 Å²	4	77.6 Å²	77.6	2%	0.021	40%	0.399	C	S	.	.	H	α-helix	trans	-50.5	-44	176.8	-74.8	-50.2	0	0	0	111.9	R275 V446 W452 S453 R454	R275-D450 IonicContact CZ-OD1 2.72Å; R275-D450 IonicContact CZ-OD2 3.66Å; R275-D450 IonicContact NH1-OD1 2.63Å; R275-D450 PolarHBondContact NH1-OD1 2.71Å; R275-D450 IonicContact NH1-OD2 2.73Å; R275-D450 IonicContact NH2-OD1 3.17Å; R275-D450 PolarHBondContact NH2-OD1 2.76Å; R275-D450 IonicContact NH2-OD2 3.77Å; R275-D450 PolarHBondContact NH2-OD2 2.82Å; V446-D450 PolarHBondContact O-N 2.79Å; D450-W452 VanDerWaalsContact C-N 3.32Å; D450-W452 PolarHBondContact O-N 3.12Å; D450-S453 PolarHBondContact O-N 2.85Å; D450-R454 WeakPolarHBondContact O-CB 3.42Å; D450-R454 VanDerWaalsContact O-CG 3.23Å; D450-R454 WeakPolarHBondContact O-CG 3.13Å; D450-R454 PolarHBondContact O-N 2.95Å
451	K	83.2	Confident	75.4	Confident	150 Å²	150	72.1 Å²	72.1	65%	0.652	37%	0.371	S	S	*	.	H	α-helix	trans	-64	-33.1	179.4	-178.3	179	178.7	-175.9	0	113.2	N447 I449	N447-K451 WeakPolarHBondContact O-CB 3.47Å; N447-K451 PolarHBondContact O-N 3.31Å; I449-K451 PolarHBondContact O-N 3.4Å; I449-K451 VanDerWaalsContact O-N 3.16Å
452	W	85.4	Confident	78	Confident	147 Å²	147	71 Å²	71	56%	0.557	37%	0.365	S	S	*	.	H	α-helix	trans	-76.7	-42.9	174	-163.5	78.7	0	0	0	110.9	S448 I449 D450 R454 M455 F456	S448-W452 PolarHBondContact O-N 3.1Å; I449-W452 PolarHBondContact O-N 3.25Å; D450-W452 VanDerWaalsContact C-N 3.32Å; D450-W452 PolarHBondContact O-N 3.12Å; W452-R454 VanDerWaalsContact C-N 3.34Å; W452-R454 PolarHBondContact O-N 3Å; W452-M455 PolarHBondContact O-N 2.86Å; W452-F456 HydrophobicContact CD2-CB 4.25Å; W452-F456 HydrophobicContact CE3-CB 3.98Å; W452-F456 HydrophobicContact CE3-CG 4.22Å; W452-F456 HydrophobicContact CH2-CB 4.19Å; W452-F456 HydrophobicContact CH2-CD1 4.12Å; W452-F456 AromaticContact CH2-CD2 3.39Å; W452-F456 HydrophobicContact CH2-CD2 3.39Å; W452-F456 HydrophobicContact CH2-CE1 4.35Å; W452-F456 AromaticContact CH2-CE2 3.67Å; W452-F456 HydrophobicContact CH2-CE2 3.67Å; W452-F456 AromaticContact CH2-CG 3.63Å; W452-F456 HydrophobicContact CH2-CG 3.63Å; W452-F456 HydrophobicContact CH2-CZ 4.14Å; W452-F456 HydrophobicContact CZ2-CB 4.44Å; W452-F456 AromaticContact CZ2-CD2 3.66Å; W452-F456 HydrophobicContact CZ2-CD2 3.66Å; W452-F456 HydrophobicContact CZ2-CE2 4.14Å; W452-F456 HydrophobicContact CZ2-CG 4.16Å; W452-F456 HydrophobicContact CZ3-CB 3.95Å; W452-F456 AromaticContact CZ3-CD1 3.93Å; W452-F456 HydrophobicContact CZ3-CD1 3.93Å; W452-F456 AromaticContact CZ3-CD2 3.95Å; W452-F456 HydrophobicContact CZ3-CD2 3.95Å; W452-F456 HydrophobicContact CZ3-CE1 4.41Å; W452-F456 HydrophobicContact CZ3-CE2 4.43Å; W452-F456 AromaticContact CZ3-CG 3.67Å; W452-F456 HydrophobicContact CZ3-CG 3.67Å; W452-F456 WeakPolarHBondContact O-CB 3.46Å; W452-F456 PolarHBondContact O-N 2.7Å
453	S	87.5	Confident	80.4	Confident	5 Å²	5	69.9 Å²	69.9	4%	0.035	36%	0.359	C	S	.	.	H	α-helix	trans	-54.8	-45.8	174.9	-54.5	0	0	0	0	112.3	E323 I449 D450 M455 F456 F457	E323-S453 WeakPolarHBondContact CG-OG 3.37Å; E323-S453 WeakPolarHBondContact OE1-CB 3.41Å; E323-S453 PolarHBondContact OE1-OG 3.15Å; I449-S453 PolarHBondContact O-N 3.06Å; I449-S453 PolarHBondContact O-OG 3Å; I449-S453 VanDerWaalsContact O-OG 3.08Å; D450-S453 PolarHBondContact O-N 2.85Å; S453-M455 PolarHBondContact O-N 3.14Å; S453-F456 PolarHBondContact O-N 2.85Å; S453-F457 WeakPolarHBondContact O-CD2 3.23Å; S453-F457 PolarHBondContact O-N 3.14Å; S453-F457 VanDerWaalsContact O-N 3.12Å
454	R	89.1	Confident	82.6	Confident	70 Å²	70	68 Å²	68	26%	0.264	35%	0.347	S	S	.	.	H	α-helix	trans	-55.6	-22.8	175.2	-73.8	171.8	-152.9	149.7	11.5	114.4	F265 W266 N447 D450 W452 P458	F265-R454 HydrophobicContact CB-CG 3.76Å; F265-R454 PolarHBondContact O-NE 3.04Å; F265-R454 PolarHBondContact O-NH2 3.03Å; W266-R454 HydrophobicContact CZ2-CG 4.41Å; N447-R454 PolarHBondContact OD1-NH2 3.16Å; D450-R454 WeakPolarHBondContact O-CB 3.42Å; D450-R454 VanDerWaalsContact O-CG 3.23Å; D450-R454 WeakPolarHBondContact O-CG 3.13Å; D450-R454 PolarHBondContact O-N 2.95Å; W452-R454 VanDerWaalsContact C-N 3.34Å; W452-R454 PolarHBondContact O-N 3Å; R454-P458 WeakPolarHBondContact O-CD 3.3Å; R454-P458 WeakPolarHBondContact O-CG 3.48Å
455	M	87.8	Confident	84.6	Confident	112 Å²	112	65.4 Å²	65.4	55%	0.552	33%	0.33	S	S	*	.	H	α-helix	trans	-103.5	-41.9	178.4	-173.8	174	69.9	0	0	112.1	W452 S453 I459	W452-M455 PolarHBondContact O-N 2.86Å; S453-M455 PolarHBondContact O-N 3.14Å; M455-I459 HydrophobicContact CG-CD1 3.72Å; M455-I459 WeakPolarHBondContact O-CD1 3.16Å; M455-I459 VanDerWaalsContact O-CG1 3.25Å; M455-I459 WeakPolarHBondContact O-CG1 3.49Å; M455-I459 PolarHBondContact O-N 3.14Å
456	F	91.8	Very high	86.5	Confident	92 Å²	92	62.8 Å²	62.8	40%	0.404	32%	0.318	S	S	.	.	H	α-helix	trans	-69.4	-44.5	-175	-173.9	-100.4	0	0	0	112.9	W452 S453 I459 T460	W452-F456 HydrophobicContact CD2-CB 4.25Å; W452-F456 HydrophobicContact CE3-CB 3.98Å; W452-F456 HydrophobicContact CE3-CG 4.22Å; W452-F456 HydrophobicContact CH2-CB 4.19Å; W452-F456 HydrophobicContact CH2-CD1 4.12Å; W452-F456 AromaticContact CH2-CD2 3.39Å; W452-F456 HydrophobicContact CH2-CD2 3.39Å; W452-F456 HydrophobicContact CH2-CE1 4.35Å; W452-F456 AromaticContact CH2-CE2 3.67Å; W452-F456 HydrophobicContact CH2-CE2 3.67Å; W452-F456 AromaticContact CH2-CG 3.63Å; W452-F456 HydrophobicContact CH2-CG 3.63Å; W452-F456 HydrophobicContact CH2-CZ 4.14Å; W452-F456 HydrophobicContact CZ2-CB 4.44Å; W452-F456 AromaticContact CZ2-CD2 3.66Å; W452-F456 HydrophobicContact CZ2-CD2 3.66Å; W452-F456 HydrophobicContact CZ2-CE2 4.14Å; W452-F456 HydrophobicContact CZ2-CG 4.16Å; W452-F456 HydrophobicContact CZ3-CB 3.95Å; W452-F456 AromaticContact CZ3-CD1 3.93Å; W452-F456 HydrophobicContact CZ3-CD1 3.93Å; W452-F456 AromaticContact CZ3-CD2 3.95Å; W452-F456 HydrophobicContact CZ3-CD2 3.95Å; W452-F456 HydrophobicContact CZ3-CE1 4.41Å; W452-F456 HydrophobicContact CZ3-CE2 4.43Å; W452-F456 AromaticContact CZ3-CG 3.67Å; W452-F456 HydrophobicContact CZ3-CG 3.67Å; W452-F456 WeakPolarHBondContact O-CB 3.46Å; W452-F456 PolarHBondContact O-N 2.7Å; S453-F456 PolarHBondContact O-N 2.85Å; F456-I459 PolarHBondContact O-N 3.29Å; F456-T460 HydrophobicContact CD1-CG2 4.22Å; F456-T460 HydrophobicContact CD2-CG2 4.16Å; F456-T460 HydrophobicContact CE1-CG2 3.86Å; F456-T460 HydrophobicContact CE2-CG2 3.79Å; F456-T460 HydrophobicContact CG-CG2 4.37Å; F456-T460 HydrophobicContact CZ-CG2 3.63Å; F456-T460 WeakPolarHBondContact O-CB 3.47Å; F456-T460 WeakPolarHBondContact O-CG2 3.49Å; F456-T460 PolarHBondContact O-N 2.73Å; F456-T460 PolarHBondContact O-OG1 3.28Å
457	F	92.3	Very high	88.4	Confident	18 Å²	18	66.4 Å²	66.4	8%	0.079	34%	0.34	C	S	.	.	H	α-helix	trans	-64.3	-48.1	-178	-80.9	-104.1	0	0	0	112.9	F265 F316 L319 A320 S453 I459 T460 F461	F265-F457 HydrophobicContact CE1-CE2 4.38Å; F265-F457 HydrophobicContact CE2-CB 4.05Å; F265-F457 HydrophobicContact CE2-CD1 4.35Å; F265-F457 AromaticContact CE2-CD2 3.81Å; F265-F457 HydrophobicContact CE2-CD2 3.81Å; F265-F457 HydrophobicContact CE2-CE2 4.3Å; F265-F457 AromaticContact CE2-CG 3.83Å; F265-F457 HydrophobicContact CE2-CG 3.83Å; F265-F457 HydrophobicContact CZ-CD1 4.09Å; F265-F457 AromaticContact CZ-CD2 3.66Å; F265-F457 HydrophobicContact CZ-CD2 3.66Å; F265-F457 HydrophobicContact CZ-CE1 4.11Å; F265-F457 AromaticContact CZ-CE2 3.68Å; F265-F457 HydrophobicContact CZ-CE2 3.68Å; F265-F457 AromaticContact CZ-CG 3.87Å; F265-F457 HydrophobicContact CZ-CG 3.87Å; F265-F457 AromaticContact CZ-CZ 3.9Å; F265-F457 HydrophobicContact CZ-CZ 3.9Å; F316-F457 HydrophobicContact CD1-CD1 4.35Å; L319-F457 HydrophobicContact CB-CE1 3.77Å; L319-F457 HydrophobicContact CB-CZ 3.95Å; A320-F457 HydrophobicContact CB-CE1 4.12Å; S453-F457 WeakPolarHBondContact O-CD2 3.23Å; S453-F457 PolarHBondContact O-N 3.14Å; S453-F457 VanDerWaalsContact O-N 3.12Å; F457-I459 PolarHBondContact O-N 3.08Å; F457-T460 PolarHBondContact O-OG1 3.19Å; F457-F461 VanDerWaalsContact O-CB 3.27Å; F457-F461 WeakPolarHBondContact O-CB 3.18Å; F457-F461 PolarHBondContact O-N 3.02Å
458	P	92.6	Very high	89.9	Confident	45 Å²	45	63.1 Å²	63.1	29%	0.292	32%	0.322	S	S	.	.	H	α-helix	trans	-63.1	-39.4	177.1	-24.5	35.1	0	0	0	113.8	W262 R454 S462	W262-P458 HydrophobicContact CD2-CG 4.33Å; W262-P458 HydrophobicContact CE3-CB 4.38Å; W262-P458 HydrophobicContact CE3-CG 3.81Å; W262-P458 HydrophobicContact CH2-CB 4.12Å; W262-P458 HydrophobicContact CH2-CG 4.34Å; W262-P458 HydrophobicContact CZ3-CB 3.85Å; W262-P458 HydrophobicContact CZ3-CG 3.81Å; R454-P458 WeakPolarHBondContact O-CD 3.3Å; R454-P458 WeakPolarHBondContact O-CG 3.48Å; P458-S462 WeakPolarHBondContact O-CB 3.31Å; P458-S462 PolarHBondContact O-N 3.05Å
459	I	93.1	Very high	90.9	Very high	104 Å²	104	63.3 Å²	63.3	53%	0.533	31%	0.312	S	S	.	.	H	α-helix	trans	-67.2	-47.1	179.9	-67.6	174	0	0	0	110.7	M455 F456 F457 S462 L463	M455-I459 HydrophobicContact CG-CD1 3.72Å; M455-I459 WeakPolarHBondContact O-CD1 3.16Å; M455-I459 VanDerWaalsContact O-CG1 3.25Å; M455-I459 WeakPolarHBondContact O-CG1 3.49Å; M455-I459 PolarHBondContact O-N 3.14Å; F456-I459 PolarHBondContact O-N 3.29Å; F457-I459 PolarHBondContact O-N 3.08Å; I459-S462 PolarHBondContact O-N 2.98Å; I459-L463 WeakPolarHBondContact O-CB 3.44Å; I459-L463 PolarHBondContact O-N 2.71Å
460	T	94.5	Very high	91.6	Very high	35 Å²	35	66.3 Å²	66.3	22%	0.215	33%	0.328	C	S	.	.	H	α-helix	trans	-68.8	-37	-180	50	0	0	0	0	112.7	F316 F456 F457 F464	F316-T460 WeakPolarHBondContact CE1-OG1 3.44Å; F456-T460 HydrophobicContact CD1-CG2 4.22Å; F456-T460 HydrophobicContact CD2-CG2 4.16Å; F456-T460 HydrophobicContact CE1-CG2 3.86Å; F456-T460 HydrophobicContact CE2-CG2 3.79Å; F456-T460 HydrophobicContact CG-CG2 4.37Å; F456-T460 HydrophobicContact CZ-CG2 3.63Å; F456-T460 WeakPolarHBondContact O-CB 3.47Å; F456-T460 WeakPolarHBondContact O-CG2 3.49Å; F456-T460 PolarHBondContact O-N 2.73Å; F456-T460 PolarHBondContact O-OG1 3.28Å; F457-T460 PolarHBondContact O-OG1 3.19Å; T460-F464 WeakPolarHBondContact O-CB 3.45Å; T460-F464 PolarHBondContact O-N 3.37Å
461	F	95.3	Very high	92.1	Very high	12 Å²	12	73.2 Å²	73.2	5%	0.053	36%	0.355	C	S	.	.	H	α-helix	trans	-68.1	-38.4	172.7	-176.5	-106.4	0	0	0	112.6	T255 T258 W262 F316 F457 F464 N465	T255-F461 HydrophobicContact CG2-CE1 4.17Å; T255-F461 HydrophobicContact CG2-CZ 4.47Å; T258-F461 HydrophobicContact CG2-CD2 3.85Å; T258-F461 HydrophobicContact CG2-CE2 3.76Å; T258-F461 HydrophobicContact CG2-CG 4.3Å; T258-F461 HydrophobicContact CG2-CZ 4.13Å; W262-F461 HydrophobicContact CH2-CB 4.07Å; W262-F461 AromaticContact CH2-CD1 3.73Å; W262-F461 HydrophobicContact CH2-CD1 3.73Å; W262-F461 HydrophobicContact CH2-CG 4.16Å; W262-F461 HydrophobicContact CZ2-CB 3.7Å; W262-F461 AromaticContact CZ2-CD1 3.85Å; W262-F461 HydrophobicContact CZ2-CD1 3.85Å; W262-F461 AromaticContact CZ2-CG 3.84Å; W262-F461 HydrophobicContact CZ2-CG 3.84Å; F316-F461 AromaticContact CD2-CD2 3.63Å; F316-F461 HydrophobicContact CD2-CD2 3.63Å; F316-F461 HydrophobicContact CD2-CE2 4.35Å; F316-F461 HydrophobicContact CE1-CB 4.38Å; F316-F461 HydrophobicContact CE2-CB 4.45Å; F316-F461 AromaticContact CE2-CD2 3.83Å; F316-F461 HydrophobicContact CE2-CD2 3.83Å; F316-F461 HydrophobicContact CG-CD2 4.17Å; F316-F461 HydrophobicContact CZ-CB 4.33Å; F457-F461 VanDerWaalsContact O-CB 3.27Å; F457-F461 WeakPolarHBondContact O-CB 3.18Å; F457-F461 PolarHBondContact O-N 3.02Å; F461-F464 HydrophobicContact CD2-CD1 4.32Å; F461-F464 HydrophobicContact CE2-CD1 4.33Å; F461-F464 PolarHBondContact O-N 2.99Å; F461-N465 WeakPolarHBondContact CE1-ND2 3.4Å; F461-N465 WeakPolarHBondContact CE2-ND2 3.39Å; F461-N465 WeakPolarHBondContact CZ-ND2 3.37Å; F461-N465 PolarHBondContact O-N 3.34Å; F461-N465 PolarHBondContact O-ND2 2.86Å
462	S	93.9	Very high	92.4	Very high	69 Å²	69	67.5 Å²	67.5	48%	0.483	33%	0.329	S	S	.	.	H	α-helix	trans	-62	-47.7	174.1	-175.4	0	0	0	0	111.1	P458 I459 F464 N465 V466	P458-S462 WeakPolarHBondContact O-CB 3.31Å; P458-S462 PolarHBondContact O-N 3.05Å; I459-S462 PolarHBondContact O-N 2.98Å; S462-F464 PolarHBondContact O-N 3.17Å; S462-N465 PolarHBondContact O-N 2.8Å; S462-V466 WeakPolarHBondContact O-CG2 3.4Å; S462-V466 PolarHBondContact O-N 3.34Å
463	L	95.3	Very high	92.4	Very high	110 Å²	110	64.5 Å²	64.5	58%	0.576	33%	0.327	S	S	*	.	H	α-helix	trans	-59.2	-43.7	174.8	-179.6	62.6	0	0	0	112.1	I459 N465 V466 V467	I459-L463 WeakPolarHBondContact O-CB 3.44Å; I459-L463 PolarHBondContact O-N 2.71Å; L463-N465 PolarHBondContact O-N 3.32Å; L463-V466 PolarHBondContact O-N 3.11Å; L463-V467 HydrophobicContact CD1-CG2 4.21Å; L463-V467 WeakPolarHBondContact O-CG2 3.4Å; L463-V467 PolarHBondContact O-N 2.87Å
464	F	95.4	Very high	91.7	Very high	50 Å²	50	72.2 Å²	72.2	22%	0.219	36%	0.362	C	S	.	.	H	α-helix	trans	-57.2	-46.2	174.8	169.8	-102.4	0	0	0	112	Y309 F316 T460 F461 S462 V467 Y468	Y309-F464 HydrophobicContact CD2-CE1 4.02Å; Y309-F464 HydrophobicContact CD2-CZ 4.44Å; Y309-F464 HydrophobicContact CE2-CE1 4.08Å; F316-F464 HydrophobicContact CE2-CB 3.95Å; F316-F464 HydrophobicContact CE2-CD1 4.08Å; F316-F464 AromaticContact CE2-CG 3.93Å; F316-F464 HydrophobicContact CE2-CG 3.93Å; F316-F464 HydrophobicContact CZ-CB 4.15Å; T460-F464 WeakPolarHBondContact O-CB 3.45Å; T460-F464 PolarHBondContact O-N 3.37Å; F461-F464 HydrophobicContact CD2-CD1 4.32Å; F461-F464 HydrophobicContact CE2-CD1 4.33Å; F461-F464 PolarHBondContact O-N 2.99Å; S462-F464 PolarHBondContact O-N 3.17Å; F464-V467 PolarHBondContact O-N 3.3Å; F464-Y468 WeakPolarHBondContact O-CB 3.34Å; F464-Y468 PolarHBondContact O-N 3.02Å
465	N	94.4	Very high	91.8	Very high	23 Å²	23	72.4 Å²	72.4	12%	0.123	37%	0.367	C	S	.	.	H	α-helix	trans	-64.5	-44.1	177.2	-80.8	-95.2	0	0	0	111.8	Y309 F461 S462 L463 V467 Y468 W469	Y309-N465 WeakPolarHBondContact CE2-OD1 3.37Å; Y309-N465 PolarHBondContact OH-OD1 2.6Å; F461-N465 WeakPolarHBondContact CE1-ND2 3.4Å; F461-N465 WeakPolarHBondContact CE2-ND2 3.39Å; F461-N465 WeakPolarHBondContact CZ-ND2 3.37Å; F461-N465 PolarHBondContact O-N 3.34Å; F461-N465 PolarHBondContact O-ND2 2.86Å; S462-N465 PolarHBondContact O-N 2.8Å; L463-N465 PolarHBondContact O-N 3.32Å; N465-V467 PolarHBondContact O-N 3.11Å; N465-Y468 PolarHBondContact O-N 2.93Å; N465-W469 PolarHBondContact O-N 2.6Å
466	V	94.4	Very high	92.1	Very high	74 Å²	74	70.3 Å²	70.3	45%	0.448	36%	0.358	S	S	.	.	H	α-helix	trans	-59.4	-48.1	177.7	170.6	0	0	0	0	111.1	S462 L463 L470	S462-V466 WeakPolarHBondContact O-CG2 3.4Å; S462-V466 PolarHBondContact O-N 3.34Å; L463-V466 PolarHBondContact O-N 3.11Å; V466-L470 HydrophobicContact CG1-CD1 3.76Å; V466-L470 WeakPolarHBondContact O-CB 3.48Å; V466-L470 VanDerWaalsContact O-CG 3.23Å; V466-L470 WeakPolarHBondContact O-CG 3.28Å; V466-L470 PolarHBondContact O-N 3.05Å; V466-L470 VanDerWaalsContact O-N 3.07Å
467	V	95.1	Very high	92.1	Very high	88 Å²	88	69.1 Å²	69.1	53%	0.533	36%	0.355	S	S	.	.	H	α-helix	trans	-63.5	-42.5	177	173.1	0	0	0	0	111.3	L463 F464 N465 Y471	L463-V467 HydrophobicContact CD1-CG2 4.21Å; L463-V467 WeakPolarHBondContact O-CG2 3.4Å; L463-V467 PolarHBondContact O-N 2.87Å; F464-V467 PolarHBondContact O-N 3.3Å; N465-V467 PolarHBondContact O-N 3.11Å; V467-Y471 VanDerWaalsContact O-CB 3.26Å; V467-Y471 WeakPolarHBondContact O-CB 3.49Å; V467-Y471 PolarHBondContact O-N 3.33Å
468	Y	94.6	Very high	92.1	Very high	7 Å²	7	72.1 Å²	72.1	3%	0.027	37%	0.371	C	S	.	.	H	α-helix	trans	-60.2	-54.6	178.7	179.2	-89.5	0	0	0	112.4	Y251 A305 Y309 F464 N465 Y471 Y472	Y251-Y468 AromaticContact CE1-CE1 3.72Å; Y251-Y468 HydrophobicContact CE1-CE1 3.72Å; Y251-Y468 PolarHBondContact OH-OH 3.08Å; A305-Y468 VanDerWaalsContact C-OH 3.27Å; A305-Y468 VanDerWaalsContact O-CE2 3.27Å; A305-Y468 WeakPolarHBondContact O-CE2 3.21Å; A305-Y468 PolarHBondContact O-OH 2.91Å; Y309-Y468 AromaticContact CD2-CD1 3.72Å; Y309-Y468 HydrophobicContact CD2-CD1 3.72Å; Y309-Y468 AromaticContact CD2-CD2 3.97Å; Y309-Y468 HydrophobicContact CD2-CD2 3.97Å; Y309-Y468 AromaticContact CD2-CE1 3.73Å; Y309-Y468 HydrophobicContact CD2-CE1 3.73Å; Y309-Y468 AromaticContact CD2-CE2 3.97Å; Y309-Y468 HydrophobicContact CD2-CE2 3.97Å; Y309-Y468 AromaticContact CD2-CG 3.85Å; Y309-Y468 HydrophobicContact CD2-CG 3.85Å; Y309-Y468 AromaticContact CD2-CZ 3.86Å; Y309-Y468 HydrophobicContact CE2-CD1 4.2Å; Y309-Y468 HydrophobicContact CE2-CE1 4.46Å; Y309-Y468 HydrophobicContact CE2-CG 4.46Å; Y309-Y468 HydrophobicContact CG-CE1 4.38Å; Y309-Y468 HydrophobicContact CG-CE2 4.35Å; F464-Y468 WeakPolarHBondContact O-CB 3.34Å; F464-Y468 PolarHBondContact O-N 3.02Å; N465-Y468 PolarHBondContact O-N 2.93Å; Y468-Y471 PolarHBondContact O-N 3.46Å; Y468-Y472 HydrophobicContact CD1-CD2 4.37Å; Y468-Y472 AromaticContact CD2-CD2 3.61Å; Y468-Y472 HydrophobicContact CD2-CD2 3.61Å; Y468-Y472 AromaticContact CD2-CE2 3.64Å; Y468-Y472 HydrophobicContact CD2-CE2 3.64Å; Y468-Y472 HydrophobicContact CE1-CD2 4.2Å; Y468-Y472 AromaticContact CE2-CD2 3.41Å; Y468-Y472 HydrophobicContact CE2-CD2 3.41Å; Y468-Y472 VanDerWaalsContact CE2-CD2 3.41Å; Y468-Y472 AromaticContact CE2-CE2 3.44Å; Y468-Y472 HydrophobicContact CE2-CE2 3.44Å; Y468-Y472 VanDerWaalsContact CE2-CE2 3.44Å; Y468-Y472 HydrophobicContact CG-CD2 4.09Å; Y468-Y472 AromaticContact CZ-CD2 3.73Å; Y468-Y472 WeakPolarHBondContact O-CD2 3.43Å; Y468-Y472 PolarHBondContact O-N 3.22Å; Y468-Y472 VanDerWaalsContact O-N 3.1Å
469	W	93.1	Very high	92	Very high	73 Å²	73	73.8 Å²	73.8	28%	0.277	38%	0.376	S	S	.	.	H	α-helix	trans	-66.9	-39.4	-177	-71.3	109.1	0	0	0	111.4	L170 I247 Y251 N465 Y471 V473	L170-W469 HydrophobicContact CD1-CE3 4.29Å; L170-W469 HydrophobicContact CD1-CZ3 4.05Å; L170-W469 HydrophobicContact CD2-CZ3 4.43Å; I247-W469 HydrophobicContact CG1-CH2 4.45Å; Y251-W469 AromaticContact CD1-CH2 3.99Å; Y251-W469 HydrophobicContact CD1-CH2 3.99Å; Y251-W469 AromaticContact CD1-CZ2 3.64Å; Y251-W469 HydrophobicContact CD1-CZ2 3.64Å; Y251-W469 HydrophobicContact CD2-CH2 4.09Å; Y251-W469 HydrophobicContact CD2-CZ2 4.43Å; Y251-W469 AromaticContact CE1-CH2 3.96Å; Y251-W469 HydrophobicContact CE1-CH2 3.96Å; Y251-W469 AromaticContact CE1-CZ2 3.91Å; Y251-W469 HydrophobicContact CE1-CZ2 3.91Å; Y251-W469 HydrophobicContact CE2-CH2 4.06Å; Y251-W469 HydrophobicContact CG-CH2 4.07Å; Y251-W469 AromaticContact CG-CZ2 3.93Å; Y251-W469 HydrophobicContact CG-CZ2 3.93Å; Y251-W469 AromaticContact CZ-CH2 4Å; N465-W469 PolarHBondContact O-N 2.6Å; W469-Y471 VanDerWaalsContact C-N 3.34Å; W469-Y471 PolarHBondContact O-N 3.18Å; W469-V473 HydrophobicContact CE3-CG2 3.84Å; W469-V473 WeakPolarHBondContact O-CB 3.39Å; W469-V473 VanDerWaalsContact O-CG2 3.22Å; W469-V473 WeakPolarHBondContact O-CG2 3.42Å; W469-V473 PolarHBondContact O-N 3.43Å
470	L	92.4	Very high	92	Very high	105 Å²	105	71.7 Å²	71.7	55%	0.55	37%	0.366	S	S	.	.	H	α-helix	trans	-62.9	-37	174.9	-72.4	172.8	0	0	0	113	V466	V466-L470 HydrophobicContact CG1-CD1 3.76Å; V466-L470 WeakPolarHBondContact O-CB 3.48Å; V466-L470 VanDerWaalsContact O-CG 3.23Å; V466-L470 WeakPolarHBondContact O-CG 3.28Å; V466-L470 PolarHBondContact O-N 3.05Å; V466-L470 VanDerWaalsContact O-N 3.07Å
471	Y	93.1	Very high	91.8	Very high	149 Å²	149	74.4 Å²	74.4	58%	0.584	38%	0.377	S	S	*	.	H	α-helix	trans	-79	-27.8	-177.8	-179.6	-93.9	0	0	0	114.3	V467 Y468 W469	V467-Y471 VanDerWaalsContact O-CB 3.26Å; V467-Y471 WeakPolarHBondContact O-CB 3.49Å; V467-Y471 PolarHBondContact O-N 3.33Å; Y468-Y471 PolarHBondContact O-N 3.46Å; W469-Y471 VanDerWaalsContact C-N 3.34Å; W469-Y471 PolarHBondContact O-N 3.18Å
472	Y	89.6	Confident	91.5	Very high	29 Å²	29	79.2 Å²	79.2	11%	0.114	40%	0.402	C	S	.	.	H	α-helix	trans	-103.1	-19.6	-177.4	-71.7	-66.8	0	0	0	115.1	R167 A305 I308 Y468	R167-Y472 HydrophobicContact CG-CD1 4.36Å; R167-Y472 PolarHBondContact NH1-O 3.29Å; A305-Y472 HydrophobicContact CB-CD1 3.48Å; A305-Y472 VanDerWaalsContact CB-CD1 3.48Å; A305-Y472 HydrophobicContact CB-CD2 4.16Å; A305-Y472 HydrophobicContact CB-CE1 3.39Å; A305-Y472 HydrophobicContact CB-CE2 4.09Å; A305-Y472 HydrophobicContact CB-CG 3.89Å; I308-Y472 WeakPolarHBondContact CD1-OH 3.49Å; Y468-Y472 HydrophobicContact CD1-CD2 4.37Å; Y468-Y472 AromaticContact CD2-CD2 3.61Å; Y468-Y472 HydrophobicContact CD2-CD2 3.61Å; Y468-Y472 AromaticContact CD2-CE2 3.64Å; Y468-Y472 HydrophobicContact CD2-CE2 3.64Å; Y468-Y472 HydrophobicContact CE1-CD2 4.2Å; Y468-Y472 AromaticContact CE2-CD2 3.41Å; Y468-Y472 HydrophobicContact CE2-CD2 3.41Å; Y468-Y472 VanDerWaalsContact CE2-CD2 3.41Å; Y468-Y472 AromaticContact CE2-CE2 3.44Å; Y468-Y472 HydrophobicContact CE2-CE2 3.44Å; Y468-Y472 VanDerWaalsContact CE2-CE2 3.44Å; Y468-Y472 HydrophobicContact CG-CD2 4.09Å; Y468-Y472 AromaticContact CZ-CD2 3.73Å; Y468-Y472 WeakPolarHBondContact O-CD2 3.43Å; Y468-Y472 PolarHBondContact O-N 3.22Å; Y468-Y472 VanDerWaalsContact O-N 3.1Å
473	V	85.3	Confident	91.3	Very high	84 Å²	84	80 Å²	80	51%	0.509	40%	0.395	S	S	.	.	H	α-helix	trans	-87	-23.9	175.6	178.9	0	0	0	0	112.5	L170 W469	L170-V473 HydrophobicContact CD1-CG2 4.18Å; L170-V473 HydrophobicContact CD2-CG2 4.28Å; W469-V473 HydrophobicContact CE3-CG2 3.84Å; W469-V473 WeakPolarHBondContact O-CB 3.39Å; W469-V473 VanDerWaalsContact O-CG2 3.22Å; W469-V473 WeakPolarHBondContact O-CG2 3.42Å; W469-V473 PolarHBondContact O-N 3.43Å
474	H	73.3	Confident	90.9	Very high	168 Å²	168	77.3 Å²	77.3	78%	0.778	38%	0.378	S	S	*	.			trans	-106.6	0	172.8	-63.7	-59.3	0	0	0	112.1	R167	R167-H474 PolarHBondContact NH1-OXT 2.83Å; R167-H474 PolarHBondContact NH2-OXT 3.38Å

Retrieved 474 of 474 residues in 2857.9 ms (Link to these results)

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