A0A087XZK3_POEFO Loading...

Kelch-like family member 18

AlphaFold DB , UniProt , Accession A0A087XZK3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 576 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	V	34.8	Very low	43	Very low	191 Å²	191	147.8 Å²	147.8	100%	1.158	83%	0.832	S	S	*	*				0	115.9	0	175	0	0	0	0	106.9	M3	V1-M3 PolarHBondContact O-N 3.18Å
2	I	35.2	Very low	44.3	Very low	167 Å²	167	151.3 Å²	151.3	86%	0.856	84%	0.837	S	S	*	*			trans	-66.6	110	177.7	-62.3	163.3	0	0	0	106.6
3	M	36.1	Very low	46.2	Very low	187 Å²	187	152.5 Å²	152.5	92%	0.921	84%	0.841	S	S	*	*			trans	-86.1	104.7	152	-72.8	-162.3	-79.4	0	0	103.4	V1	V1-M3 PolarHBondContact O-N 3.18Å
4	G	34.3	Very low	48.3	Very low	56 Å²	56	149.5 Å²	149.5	58%	0.577	82%	0.822	S	S	*	*				93	70.8	60.8	0	0	0	0	0	105.5	S6	G4-S6 VanDerWaalsContact C-N 3.25Å; G4-S6 PolarHBondContact O-N 3.5Å
5	D	40.8	Very low	50.5	Low	171 Å²	171	148.7 Å²	148.7	91%	0.914	82%	0.823	S	S	*	*			trans	-60.8	92.2	168.5	-77.8	-34.5	0	0	0	107.6
6	S	41.1	Very low	52.5	Low	101 Å²	101	149.5 Å²	149.5	71%	0.706	82%	0.818	S	S	*	*			trans	-82.2	114.6	164.4	60.3	0	0	0	0	107.6	G4 C8	G4-S6 VanDerWaalsContact C-N 3.25Å; G4-S6 PolarHBondContact O-N 3.5Å; S6-C8 PolarHBondContact O-N 2.74Å
7	V	44.2	Very low	54.6	Low	142 Å²	142	151.5 Å²	151.5	86%	0.861	82%	0.818	S	S	*	*			trans	-41.2	105	166.6	-179.1	0	0	0	0	109.9
8	C	46.2	Very low	56.6	Low	109 Å²	109	148.3 Å²	148.3	74%	0.736	81%	0.809	S	S	*	*			trans	-81.5	114.1	161.6	-84.1	0	0	0	0	107.1	S6 E10	S6-C8 PolarHBondContact O-N 2.74Å; C8-E10 PolarHBondContact O-N 2.88Å
9	E	50.5	Low	58.5	Low	179 Å²	179	143.4 Å²	143.4	84%	0.836	78%	0.784	S	S	*	*			trans	-56.5	119.7	153.6	-74.6	177.9	152.3	0	0	107.3	L11	E9-L11 PolarHBondContact O-N 3.47Å
10	E	52	Low	60	Low	182 Å²	182	142.2 Å²	142.2	85%	0.85	78%	0.783	S	S	*	*			trans	-64.8	101.6	176	-73.7	178.7	153.8	0	0	109	C8 E12	C8-E10 PolarHBondContact O-N 2.88Å; E10-E12 PolarHBondContact O-N 3.07Å
11	L	57.9	Low	61.5	Low	141 Å²	141	138.8 Å²	138.8	74%	0.738	76%	0.764	S	S	*	*			trans	-70.3	105.2	162.9	-76.5	158.7	0	0	0	107.4	E9 D13 L14	E9-L11 PolarHBondContact O-N 3.47Å; L11-D13 PolarHBondContact O-N 2.88Å; L11-L14 PolarHBondContact O-N 3Å
12	E	58.9	Low	64.2	Low	190 Å²	190	135 Å²	135	89%	0.888	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61	0.6	-174.5	-73.7	-177.5	149.3	0	0	115.8	E10	E10-E12 PolarHBondContact O-N 3.07Å
13	D	69.1	Low	66.6	Low	166 Å²	166	131.3 Å²	131.3	89%	0.888	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126	36.1	-178.8	-77.9	-35.6	0	0	0	113.8	L11	L11-D13 PolarHBondContact O-N 2.88Å
14	L	74.8	Confident	69	Low	111 Å²	111	125.5 Å²	125.5	58%	0.581	71%	0.705	S	S	*	*			trans	-107.5	116.2	178.5	-165.4	72.8	0	0	0	112.9	L11 H16	L11-L14 PolarHBondContact O-N 3Å; L14-H16 WeakPolarHBondContact CD2-CE1 2.88Å; L14-H16 VanDerWaalsContact CD2-NE2 3.29Å; L14-H16 WeakPolarHBondContact CD2-NE2 3.49Å
15	V	81.3	Confident	71.7	Confident	137 Å²	137	130 Å²	130	83%	0.83	71%	0.705	S	S	*	*			trans	-103	115.9	171.4	-179.7	0	0	0	0	110.2	F17	V15-F17 PolarHBondContact O-N 3.16Å
16	H	82.3	Confident	74	Confident	162 Å²	162	123.1 Å²	123.1	75%	0.75	67%	0.674	S	S	*	*			trans	-85.6	104.9	173.8	-68.3	-72.1	0	0	0	111.3	L14	L14-H16 WeakPolarHBondContact CD2-CE1 2.88Å; L14-H16 VanDerWaalsContact CD2-NE2 3.29Å; L14-H16 WeakPolarHBondContact CD2-NE2 3.49Å
17	F	89.6	Confident	76.4	Confident	184 Å²	184	122.3 Å²	122.3	81%	0.807	66%	0.656	S	S	*	*			trans	-85.6	132.8	169.6	175.7	-103.6	0	0	0	110.6	V15 V19	V15-F17 PolarHBondContact O-N 3.16Å; F17-V19 HydrophobicContact CD1-CG2 4.49Å; F17-V19 HydrophobicContact CE1-CG2 3.48Å; F17-V19 VanDerWaalsContact CE1-CG2 3.48Å; F17-V19 HydrophobicContact CE2-CG2 4.47Å; F17-V19 HydrophobicContact CZ-CG2 3.46Å; F17-V19 VanDerWaalsContact CZ-CG2 3.46Å
18	S	90.4	Very high	78.7	Confident	94 Å²	94	120.1 Å²	120.1	66%	0.657	64%	0.642	S	S	*	*			trans	-135.9	143.8	175.5	67.9	0	0	0	0	111.8
19	V	92.1	Very high	80.9	Confident	55 Å²	55	118.6 Å²	118.6	33%	0.333	63%	0.63	S	S	.	*			trans	-117.7	98.7	172.6	-179.4	0	0	0	0	107.1	F17 D21 L22	F17-V19 HydrophobicContact CD1-CG2 4.49Å; F17-V19 HydrophobicContact CE1-CG2 3.48Å; F17-V19 VanDerWaalsContact CE1-CG2 3.48Å; F17-V19 HydrophobicContact CE2-CG2 4.47Å; F17-V19 HydrophobicContact CZ-CG2 3.46Å; F17-V19 VanDerWaalsContact CZ-CG2 3.46Å; V19-D21 VanDerWaalsContact C-N 3.29Å; V19-D21 WeakPolarHBondContact CG1-OD1 3.19Å; V19-D21 PolarHBondContact O-N 3.26Å; V19-L22 HydrophobicContact CB-CB 4.11Å; V19-L22 HydrophobicContact CG1-CB 4Å; V19-L22 WeakPolarHBondContact O-CB 3.29Å; V19-L22 PolarHBondContact O-N 3.38Å
20	P	89.2	Confident	83	Confident	118 Å²	118	113.7 Å²	113.7	77%	0.766	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.4	-31	-166.3	-25.9	34.3	0	0	0	115.1
21	D	91.4	Very high	84.9	Confident	72 Å²	72	107.3 Å²	107.3	39%	0.385	58%	0.578	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90.8	-7.5	-175.6	65.8	-45.8	0	0	0	113.9	V19 A24 R25	V19-D21 VanDerWaalsContact C-N 3.29Å; V19-D21 WeakPolarHBondContact CG1-OD1 3.19Å; V19-D21 PolarHBondContact O-N 3.26Å; D21-A24 PolarHBondContact O-N 3.19Å; D21-R25 PolarHBondContact O-N 3.49Å; D21-R25 WeakPolarHBondContact OD2-CD 3.3Å; D21-R25 IonicContact OD2-NE 2.72Å; D21-R25 IonicContact OD2-NH1 3.72Å; D21-R25 PolarHBondContact OD2-NH1 2.97Å
22	L	91.3	Very high	86.7	Confident	111 Å²	111	106.2 Å²	106.2	58%	0.581	57%	0.569	S	S	*	*	H	α-helix	trans	-55.1	-45.9	-177.1	-177.6	70	0	0	0	112.7	V19 G26	V19-L22 HydrophobicContact CB-CB 4.11Å; V19-L22 HydrophobicContact CG1-CB 4Å; V19-L22 WeakPolarHBondContact O-CB 3.29Å; V19-L22 PolarHBondContact O-N 3.38Å; L22-G26 PolarHBondContact O-N 2.98Å; L22-G26 VanDerWaalsContact O-N 3.08Å
23	P	86.3	Confident	88.4	Confident	89 Å²	89	99.4 Å²	99.4	58%	0.578	54%	0.538	S	S	*	.	H	α-helix	trans	-63.9	-44	177.5	-21.6	34.6	0	0	0	112.6	R25 G26 Y27	P23-R25 PolarHBondContact O-N 3.13Å; P23-G26 PolarHBondContact O-N 3.38Å; P23-Y27 WeakPolarHBondContact O-CD2 3.17Å; P23-Y27 PolarHBondContact O-N 2.84Å
24	A	86.3	Confident	89.6	Confident	66 Å²	66	92.4 Å²	92.4	55%	0.545	50%	0.499	S	S	.	.	H	α-helix	trans	-64.9	-41.5	-179	0	0	0	0	0	112	D21 G26 Y27	D21-A24 PolarHBondContact O-N 3.19Å; A24-G26 VanDerWaalsContact C-N 3.29Å; A24-G26 PolarHBondContact O-N 2.81Å; A24-Y27 PolarHBondContact O-N 2.82Å
25	R	89.6	Confident	90.5	Very high	151 Å²	151	93.5 Å²	93.5	57%	0.57	50%	0.496	S	S	*	.	H	α-helix	trans	-63.3	-35.4	174	-76.7	174	58.2	-168.7	-1.8	112.6	D21 P23 Y27 V28 V29	D21-R25 PolarHBondContact O-N 3.49Å; D21-R25 WeakPolarHBondContact OD2-CD 3.3Å; D21-R25 IonicContact OD2-NE 2.72Å; D21-R25 IonicContact OD2-NH1 3.72Å; D21-R25 PolarHBondContact OD2-NH1 2.97Å; P23-R25 PolarHBondContact O-N 3.13Å; R25-Y27 VanDerWaalsContact C-N 3.34Å; R25-Y27 PolarHBondContact O-N 2.97Å; R25-V28 PolarHBondContact O-N 3.11Å; R25-V29 PolarHBondContact O-N 3.23Å
26	G	90.8	Very high	91.1	Very high	25 Å²	25	91.6 Å²	91.6	26%	0.258	48%	0.478	S	S	.	.	H	α-helix	trans	-56.7	-45.6	176.5	0	0	0	0	0	112.7	L22 P23 A24 V28 V29 M30	L22-G26 PolarHBondContact O-N 2.98Å; L22-G26 VanDerWaalsContact O-N 3.08Å; P23-G26 PolarHBondContact O-N 3.38Å; A24-G26 VanDerWaalsContact C-N 3.29Å; A24-G26 PolarHBondContact O-N 2.81Å; G26-V28 PolarHBondContact O-N 2.84Å; G26-V29 PolarHBondContact O-N 2.83Å; G26-M30 WeakPolarHBondContact O-CG 3.41Å; G26-M30 PolarHBondContact O-N 2.85Å
27	Y	90.9	Very high	91.5	Very high	85 Å²	85	86.2 Å²	86.2	33%	0.333	47%	0.466	S	S	.	.	H	α-helix	trans	-62.9	-38.8	179.4	-85.9	-89.1	0	0	0	113.2	P23 A24 R25 V29 M30 E31 V57	P23-Y27 WeakPolarHBondContact O-CD2 3.17Å; P23-Y27 PolarHBondContact O-N 2.84Å; A24-Y27 PolarHBondContact O-N 2.82Å; R25-Y27 VanDerWaalsContact C-N 3.34Å; R25-Y27 PolarHBondContact O-N 2.97Å; Y27-V29 VanDerWaalsContact C-N 3.34Å; Y27-V29 PolarHBondContact O-N 3.38Å; Y27-M30 PolarHBondContact O-N 3.24Å; Y27-E31 PolarHBondContact O-N 2.83Å; Y27-V57 HydrophobicContact CE1-CG1 4.12Å
28	V	91.2	Very high	91.6	Very high	95 Å²	95	83 Å²	83	58%	0.576	45%	0.452	S	S	*	.	H	α-helix	trans	-61.5	-43.7	175.6	179.9	0	0	0	0	111	R25 G26 E31 E32	R25-V28 PolarHBondContact O-N 3.11Å; G26-V28 PolarHBondContact O-N 2.84Å; V28-E31 WeakPolarHBondContact O-CB 3.47Å; V28-E31 PolarHBondContact O-N 2.68Å; V28-E32 PolarHBondContact O-N 3.32Å
29	V	93.3	Very high	91.7	Very high	78 Å²	78	85.3 Å²	85.3	47%	0.473	46%	0.456	S	S	.	.	H	α-helix	trans	-66.3	-40.7	177.1	177	0	0	0	0	111.1	R25 G26 Y27 E31 E32 I33	R25-V29 PolarHBondContact O-N 3.23Å; G26-V29 PolarHBondContact O-N 2.83Å; Y27-V29 VanDerWaalsContact C-N 3.34Å; Y27-V29 PolarHBondContact O-N 3.38Å; V29-E31 VanDerWaalsContact C-N 3.29Å; V29-E31 PolarHBondContact O-N 3.19Å; V29-E32 PolarHBondContact O-N 3.23Å; V29-I33 HydrophobicContact CG1-CD1 3.84Å; V29-I33 HydrophobicContact CG1-CG1 4.37Å; V29-I33 VanDerWaalsContact O-CG1 3.29Å; V29-I33 WeakPolarHBondContact O-CG1 3.31Å; V29-I33 PolarHBondContact O-N 2.85Å
30	M	94.5	Very high	91.8	Very high	75 Å²	75	84.4 Å²	84.4	37%	0.369	45%	0.452	S	S	.	.	H	α-helix	trans	-62.6	-35.4	175.8	-68.8	177.4	-166.8	0	0	112.4	G26 Y27 R34 V57 Y99	G26-M30 WeakPolarHBondContact O-CG 3.41Å; G26-M30 PolarHBondContact O-N 2.85Å; Y27-M30 PolarHBondContact O-N 3.24Å; M30-R34 WeakPolarHBondContact O-CB 3.11Å; M30-R34 PolarHBondContact O-N 2.79Å; M30-V57 HydrophobicContact SD-CG2 3.68Å; M30-Y99 HydrophobicContact CB-CD1 4.11Å; M30-Y99 HydrophobicContact CB-CE1 4.05Å
31	E	93	Very high	92	Very high	48 Å²	48	82.3 Å²	82.3	22%	0.224	43%	0.434	C	S	.	.	H	α-helix	trans	-62.2	-47.5	174	-167.1	179.7	-177.4	0	0	111.3	Y27 V28 V29 R34 R35 Y99	Y27-E31 PolarHBondContact O-N 2.83Å; V28-E31 WeakPolarHBondContact O-CB 3.47Å; V28-E31 PolarHBondContact O-N 2.68Å; V29-E31 VanDerWaalsContact C-N 3.29Å; V29-E31 PolarHBondContact O-N 3.19Å; E31-R34 WeakPolarHBondContact O-CB 3.36Å; E31-R34 PolarHBondContact O-N 3.46Å; E31-R35 WeakPolarHBondContact O-CG 3.47Å; E31-R35 PolarHBondContact O-N 3.36Å; E31-Y99 HydrophobicContact CB-CD1 4.16Å; E31-Y99 HydrophobicContact CB-CG 4.35Å; E31-Y99 HydrophobicContact CG-CG 4.42Å
32	E	93.9	Very high	92.2	Very high	118 Å²	118	79 Å²	79	55%	0.551	42%	0.417	S	S	*	.	H	α-helix	trans	-62.2	-45.3	178.8	-170.4	-176.6	171.6	0	0	111.6	V28 V29 R34 R35 Q36	V28-E32 PolarHBondContact O-N 3.32Å; V29-E32 PolarHBondContact O-N 3.23Å; E32-R34 VanDerWaalsContact C-N 3.29Å; E32-R34 PolarHBondContact O-N 3.38Å; E32-R35 PolarHBondContact O-N 3.35Å; E32-Q36 WeakPolarHBondContact O-CG 3.27Å; E32-Q36 PolarHBondContact O-N 3.31Å; E32-Q36 VanDerWaalsContact O-N 3.17Å
33	I	94.5	Very high	92.4	Very high	48 Å²	48	75.5 Å²	75.5	25%	0.246	40%	0.4	C	S	.	.	H	α-helix	trans	-57.8	-43.8	175.8	-69.8	170.2	0	0	0	110.5	V29 Q36 G37 K38 L39	V29-I33 HydrophobicContact CG1-CD1 3.84Å; V29-I33 HydrophobicContact CG1-CG1 4.37Å; V29-I33 VanDerWaalsContact O-CG1 3.29Å; V29-I33 WeakPolarHBondContact O-CG1 3.31Å; V29-I33 PolarHBondContact O-N 2.85Å; I33-Q36 PolarHBondContact O-N 3.14Å; I33-G37 PolarHBondContact O-N 3.37Å; I33-K38 HydrophobicContact CG2-CB 3.92Å; I33-K38 WeakPolarHBondContact CG2-O 3.44Å; I33-K38 PolarHBondContact O-N 3.08Å; I33-K38 VanDerWaalsContact O-N 3.13Å; I33-L39 HydrophobicContact CG2-CB 4.28Å; I33-L39 HydrophobicContact CG2-CD1 4.25Å; I33-L39 HydrophobicContact CG2-CG 4.37Å
34	R	95.2	Very high	92.8	Very high	19 Å²	19	71.2 Å²	71.2	7%	0.072	37%	0.372	C	S	.	.	H	α-helix	trans	-63.2	-44.4	176.9	-174	-173.8	64	97.6	-1.1	112	M30 E31 E32 Q36 G37 S52 N96 Y99	M30-R34 WeakPolarHBondContact O-CB 3.11Å; M30-R34 PolarHBondContact O-N 2.79Å; E31-R34 WeakPolarHBondContact O-CB 3.36Å; E31-R34 PolarHBondContact O-N 3.46Å; E32-R34 VanDerWaalsContact C-N 3.29Å; E32-R34 PolarHBondContact O-N 3.38Å; R34-Q36 PolarHBondContact O-N 3.02Å; R34-G37 WeakPolarHBondContact O-CA 3.4Å; R34-G37 PolarHBondContact O-N 3.31Å; R34-S52 WeakPolarHBondContact CD-O 3.43Å; R34-S52 WeakPolarHBondContact CG-O 3.39Å; R34-N96 PolarHBondContact NH2-OD1 3.48Å; R34-Y99 HydrophobicContact CB-CE1 4.26Å; R34-Y99 VanDerWaalsContact CD-CZ 3.48Å
35	R	92.9	Very high	93.2	Very high	133 Å²	133	70.8 Å²	70.8	50%	0.502	36%	0.358	S	S	.	.	H	α-helix	trans	-61.9	-25.6	179.2	-71.2	-70.9	-172.5	-171.7	-0.1	112.3	E31 E32 G37 E92 N96	E31-R35 WeakPolarHBondContact O-CG 3.47Å; E31-R35 PolarHBondContact O-N 3.36Å; E32-R35 PolarHBondContact O-N 3.35Å; R35-G37 VanDerWaalsContact C-N 3.31Å; R35-E92 IonicContact NH1-OE1 3.75Å; R35-E92 PolarHBondContact NH1-OE1 2.98Å; R35-N96 VanDerWaalsContact NH2-CG 3.32Å; R35-N96 PolarHBondContact NH2-ND2 3.29Å; R35-N96 PolarHBondContact NH2-OD1 2.84Å
36	Q	93.9	Very high	93.4	Very high	97 Å²	97	64 Å²	64	45%	0.453	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-1.7	172	-62.7	176.9	19.8	0	0	113.7	E32 I33 R34 K38	E32-Q36 WeakPolarHBondContact O-CG 3.27Å; E32-Q36 PolarHBondContact O-N 3.31Å; E32-Q36 VanDerWaalsContact O-N 3.17Å; I33-Q36 PolarHBondContact O-N 3.14Å; R34-Q36 PolarHBondContact O-N 3.02Å; Q36-K38 HydrophobicContact CB-CD 4.15Å; Q36-K38 HydrophobicContact CB-CG 4.1Å; Q36-K38 PolarHBondContact O-N 3.2Å; Q36-K38 VanDerWaalsContact OE1-CE 3.32Å
37	G	91.1	Very high	93.3	Very high	49 Å²	49	65.1 Å²	65.1	51%	0.505	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.1	16.2	-175.9	0	0	0	0	0	114	I33 R34 R35	I33-G37 PolarHBondContact O-N 3.37Å; R34-G37 WeakPolarHBondContact O-CA 3.4Å; R34-G37 PolarHBondContact O-N 3.31Å; R35-G37 VanDerWaalsContact C-N 3.31Å
38	K	92.1	Very high	93.2	Very high	116 Å²	116	69 Å²	69	50%	0.504	37%	0.365	S	S	.	.			trans	-88.6	145.5	-177	-70.1	178.1	-177.5	165.9	0	110.2	I33 Q36 C40 H54	I33-K38 HydrophobicContact CG2-CB 3.92Å; I33-K38 WeakPolarHBondContact CG2-O 3.44Å; I33-K38 PolarHBondContact O-N 3.08Å; I33-K38 VanDerWaalsContact O-N 3.13Å; Q36-K38 HydrophobicContact CB-CD 4.15Å; Q36-K38 HydrophobicContact CB-CG 4.1Å; Q36-K38 PolarHBondContact O-N 3.2Å; Q36-K38 VanDerWaalsContact OE1-CE 3.32Å; K38-C40 PolarHBondContact O-N 3.34Å; K38-C40 PolarHBondContact O-SG 3.19Å; K38-H54 PolarHBondContact O-NE2 2.91Å
39	L	92.7	Very high	93.4	Very high	143 Å²	143	69.5 Å²	69.5	75%	0.749	36%	0.361	S	S	*	.	S	Bend	trans	55.5	12.7	176.4	-52.5	178.1	0	0	0	115.4	I33 D41 H54	I33-L39 HydrophobicContact CG2-CB 4.28Å; I33-L39 HydrophobicContact CG2-CD1 4.25Å; I33-L39 HydrophobicContact CG2-CG 4.37Å; L39-D41 PolarHBondContact O-N 3.49Å; L39-H54 PolarHBondContact O-CD2 3.28Å; L39-H54 PolarHBondContact O-NE2 3.34Å
40	C	93.9	Very high	93.5	Very high	36 Å²	36	71.5 Å²	71.5	24%	0.243	36%	0.364	C	S	.	.			trans	-72.4	126	175.8	-63.5	0	0	0	0	109.6	K38 A53	K38-C40 PolarHBondContact O-N 3.34Å; K38-C40 PolarHBondContact O-SG 3.19Å; C40-A53 WeakPolarHBondContact CA-O 3.45Å; C40-A53 WeakPolarHBondContact CB-O 3.37Å
41	D	93.9	Very high	93.5	Very high	75 Å²	75	68.9 Å²	68.9	40%	0.401	35%	0.35	S	S	.	.			trans	-116.2	10.6	-174	61.5	-12	0	0	0	112.3	L39 A53 H54 R55	L39-D41 PolarHBondContact O-N 3.49Å; D41-A53 PolarHBondContact N-O 2.84Å; D41-H54 VanDerWaalsContact OD1-CA 3.26Å; D41-H54 WeakPolarHBondContact OD1-CA 3.49Å; D41-R55 PolarHBondContact O-NE 2.98Å; D41-R55 WeakPolarHBondContact OD1-CG 3.35Å; D41-R55 PolarHBondContact OD1-N 3.43Å; D41-R55 WeakPolarHBondContact OD2-CB 3.3Å; D41-R55 WeakPolarHBondContact OD2-CD 3.41Å
42	V	94.8	Very high	93.6	Very high	3 Å²	3	69 Å²	69	2%	0.018	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	145.3	171.2	64.4	0	0	0	0	111.3	L44 A53 R55 L58 F69 I81	V42-L44 HydrophobicContact CG2-CD2 4.23Å; V42-A53 HydrophobicContact CG1-CB 4.21Å; V42-A53 PolarHBondContact N-O 3.07Å; V42-A53 PolarHBondContact O-N 3.44Å; V42-R55 HydrophobicContact CB-CG 3.74Å; V42-R55 HydrophobicContact CG1-CG 3.69Å; V42-L58 HydrophobicContact CG1-CD1 4.2Å; V42-F69 HydrophobicContact CG2-CZ 4.35Å; V42-I81 HydrophobicContact CG2-CD1 3.69Å; V42-I81 HydrophobicContact CG2-CG1 4.13Å
43	T	95.3	Very high	93.7	Very high	36 Å²	36	63.3 Å²	63.3	22%	0.221	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	123.1	169.5	-58.8	0	0	0	0	110	K50 F51 D79 E80 I81	T43-K50 HydrophobicContact CG2-CB 3.94Å; T43-K50 HydrophobicContact CG2-CD 4.37Å; T43-K50 HydrophobicContact CG2-CG 4.37Å; T43-F51 CarbonylContact C-O 3.57Å; T43-F51 WeakPolarHBondContact CA-O 3.25Å; T43-D79 PolarHBondContact N-O 2.9Å; T43-E80 CarbonylContact O-C 3.53Å; T43-E80 VanDerWaalsContact O-CA 3.3Å; T43-E80 WeakPolarHBondContact O-CA 3.45Å; T43-I81 PolarHBondContact O-N 3.3Å
44	L	94.8	Very high	93.8	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	129.1	174.1	-56.1	177.1	0	0	0	109	V42 K50 F51 L58 F65 I81 M83 L91 I95	V42-L44 HydrophobicContact CG2-CD2 4.23Å; L44-K50 WeakPolarHBondContact O-CA 3.34Å; L44-F51 HydrophobicContact CB-CB 4.44Å; L44-F51 PolarHBondContact N-O 2.93Å; L44-F51 PolarHBondContact O-N 2.83Å; L44-L58 HydrophobicContact CD1-CD1 4.01Å; L44-F65 HydrophobicContact CD1-CE1 4.15Å; L44-F65 HydrophobicContact CD1-CE2 4.08Å; L44-F65 HydrophobicContact CD1-CZ 3.54Å; L44-F65 HydrophobicContact CD2-CE1 3.85Å; L44-F65 HydrophobicContact CD2-CZ 4.07Å; L44-F65 HydrophobicContact CG-CZ 4.47Å; L44-I81 HydrophobicContact CD2-CB 4.01Å; L44-I81 HydrophobicContact CD2-CD1 4.4Å; L44-I81 HydrophobicContact CD2-CG2 4.46Å; L44-M83 HydrophobicContact CB-CG 4.4Å; L44-M83 HydrophobicContact CD2-CG 4.49Å; L44-L91 HydrophobicContact CB-CD2 4.31Å; L44-L91 HydrophobicContact CD1-CD1 4.49Å; L44-I95 HydrophobicContact CD1-CD1 3.8Å; L44-I95 HydrophobicContact CD1-CG1 4.28Å
45	K	94.3	Very high	93.7	Very high	57 Å²	57	63 Å²	63	25%	0.248	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	128.4	-179.3	-176.9	174.4	177.4	178.3	0	111.2	G47 H49 K50 E80 I81 L82 M83	K45-G47 WeakPolarHBondContact CE-O 3.19Å; K45-G47 WeakPolarHBondContact CG-O 3.34Å; K45-H49 WeakPolarHBondContact CA-O 3.35Å; K45-K50 HydrophobicContact CG-CG 4.47Å; K45-E80 HydrophobicContact CB-CG 4.31Å; K45-E80 VanDerWaalsContact CD-OE1 3.29Å; K45-E80 WeakPolarHBondContact CD-OE1 3.38Å; K45-I81 PolarHBondContact N-O 2.54Å; K45-L82 HydrophobicContact CB-CD1 4.37Å; K45-L82 HydrophobicContact CD-CD1 4.42Å; K45-L82 HydrophobicContact CG-CD1 4.2Å; K45-M83 PolarHBondContact O-N 3.27Å
46	V	93.9	Very high	93.8	Very high	9 Å²	9	62.6 Å²	62.6	6%	0.055	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	109.5	171.6	178.5	0	0	0	0	108.5	E48 H49 M83 M86 P88 L91	V46-E48 PolarHBondContact O-N 2.87Å; V46-H49 PolarHBondContact N-O 3.45Å; V46-H49 PolarHBondContact O-N 3.12Å; V46-M83 HydrophobicContact CG2-CB 3.67Å; V46-M86 WeakPolarHBondContact CG1-O 3.42Å; V46-P88 HydrophobicContact CB-CG 4.38Å; V46-P88 HydrophobicContact CG1-CG 3.81Å; V46-L91 HydrophobicContact CG2-CD2 3.34Å
47	G	88.4	Confident	93.8	Very high	47 Å²	47	58.2 Å²	58.2	49%	0.485	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.6	-120.9	-171.4	0	0	0	0	0	110.6	K45	K45-G47 WeakPolarHBondContact CE-O 3.19Å; K45-G47 WeakPolarHBondContact CG-O 3.34Å
48	E	90.1	Very high	94	Very high	166 Å²	166	55.9 Å²	55.9	78%	0.776	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-7.1	177.1	-62.9	-55.3	126.5	0	0	114.1	V46	V46-E48 PolarHBondContact O-N 2.87Å
49	H	94.8	Very high	94.1	Very high	106 Å²	106	50.9 Å²	50.9	49%	0.491	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	137.8	-177.1	-59.9	84.7	0	0	0	111.2	K45 V46 F51 P88	K45-H49 WeakPolarHBondContact CA-O 3.35Å; V46-H49 PolarHBondContact N-O 3.45Å; V46-H49 PolarHBondContact O-N 3.12Å; H49-F51 HydrophobicContact CB-CE2 3.77Å; H49-F51 HydrophobicContact CB-CZ 3.8Å; H49-P88 HydrophobicContact CB-CB 4.07Å
50	K	94.8	Very high	94.2	Very high	120 Å²	120	47.2 Å²	47.2	52%	0.522	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	132.9	178.8	-66	-170.3	-179.4	-143	0	110.7	T43 L44 K45 E80	T43-K50 HydrophobicContact CG2-CB 3.94Å; T43-K50 HydrophobicContact CG2-CD 4.37Å; T43-K50 HydrophobicContact CG2-CG 4.37Å; L44-K50 WeakPolarHBondContact O-CA 3.34Å; K45-K50 HydrophobicContact CG-CG 4.47Å; K50-E80 WeakPolarHBondContact CE-OE1 3.36Å; K50-E80 IonicContact NZ-OE1 4Å; K50-E80 PolarHBondContact NZ-OE1 3.06Å; K50-E80 IonicContact NZ-OE2 2.66Å; K50-E80 PolarHBondContact NZ-OE2 3.07Å
51	F	95.8	Very high	94.2	Very high	21 Å²	21	47.1 Å²	47.1	9%	0.092	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	111.4	-178.3	-53.5	-81.3	0	0	0	110.3	T43 L44 H49 P88 L91 E92 I95	T43-F51 CarbonylContact C-O 3.57Å; T43-F51 WeakPolarHBondContact CA-O 3.25Å; L44-F51 HydrophobicContact CB-CB 4.44Å; L44-F51 PolarHBondContact N-O 2.93Å; L44-F51 PolarHBondContact O-N 2.83Å; H49-F51 HydrophobicContact CB-CE2 3.77Å; H49-F51 HydrophobicContact CB-CZ 3.8Å; F51-P88 HydrophobicContact CE2-CB 4.44Å; F51-P88 HydrophobicContact CZ-CB 4.11Å; F51-P88 WeakPolarHBondContact CZ-O 3.33Å; F51-L91 HydrophobicContact CD2-CD2 3.86Å; F51-L91 HydrophobicContact CD2-CG 4.43Å; F51-L91 HydrophobicContact CE2-CD2 4.06Å; F51-E92 HydrophobicContact CD1-CB 4.18Å; F51-E92 HydrophobicContact CD1-CG 4.13Å; F51-E92 HydrophobicContact CE1-CB 3.62Å; F51-E92 HydrophobicContact CE1-CG 3.87Å; F51-E92 HydrophobicContact CZ-CB 4.24Å; F51-I95 HydrophobicContact CB-CD1 3.68Å; F51-I95 HydrophobicContact CG-CD1 4.08Å
52	S	95.3	Very high	94.3	Very high	49 Å²	49	43.6 Å²	43.6	34%	0.343	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	137.9	174.7	-57.3	0	0	0	0	111.1	R34	R34-S52 WeakPolarHBondContact CD-O 3.43Å; R34-S52 WeakPolarHBondContact CG-O 3.39Å
53	A	96.3	Very high	94.3	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	174.9	-178	0	0	0	0	0	112.1	C40 D41 V42 L58	C40-A53 WeakPolarHBondContact CA-O 3.45Å; C40-A53 WeakPolarHBondContact CB-O 3.37Å; D41-A53 PolarHBondContact N-O 2.84Å; V42-A53 HydrophobicContact CG1-CB 4.21Å; V42-A53 PolarHBondContact N-O 3.07Å; V42-A53 PolarHBondContact O-N 3.44Å; A53-L58 HydrophobicContact CB-CD1 3.67Å; A53-L58 HydrophobicContact CB-CD2 4.34Å; A53-L58 HydrophobicContact CB-CG 4.06Å
54	H	95.6	Very high	94.3	Very high	18 Å²	18	47.4 Å²	47.4	8%	0.083	26%	0.258	C	S	.	.			trans	-104	122.1	174.1	-54.4	89.5	0	0	0	109.7	K38 L39 D41 I56 V57 L58 Y99	K38-H54 PolarHBondContact O-NE2 2.91Å; L39-H54 PolarHBondContact O-CD2 3.28Å; L39-H54 PolarHBondContact O-NE2 3.34Å; D41-H54 VanDerWaalsContact OD1-CA 3.26Å; D41-H54 WeakPolarHBondContact OD1-CA 3.49Å; H54-I56 HydrophobicContact CB-CG2 4.47Å; H54-I56 PolarHBondContact O-N 3.31Å; H54-V57 HydrophobicContact CB-CB 4.31Å; H54-V57 HydrophobicContact CB-CG2 4Å; H54-V57 PolarHBondContact O-N 3.31Å; H54-V57 VanDerWaalsContact O-N 3.12Å; H54-L58 PolarHBondContact O-N 2.95Å; H54-L58 VanDerWaalsContact O-N 3.07Å; H54-Y99 VanDerWaalsContact CB-OH 3.28Å; H54-Y99 WeakPolarHBondContact CB-OH 3.42Å; H54-Y99 PolarHBondContact N-OH 3.35Å; H54-Y99 AromaticContact ND1-CE1 3.77Å; H54-Y99 AromaticContact ND1-CZ 3.72Å; H54-Y99 PolarHBondContact ND1-OH 3.47Å
55	R	93.9	Very high	94.2	Very high	41 Å²	41	47.4 Å²	47.4	16%	0.155	26%	0.258	C	S	.	.	H	α-helix	trans	-53.9	-42	-179.8	-72.5	168.1	157	-121.3	-5.4	112.3	D41 V42 V57 L58 A59 F69 E75 R76 Q78	D41-R55 PolarHBondContact O-NE 2.98Å; D41-R55 WeakPolarHBondContact OD1-CG 3.35Å; D41-R55 PolarHBondContact OD1-N 3.43Å; D41-R55 WeakPolarHBondContact OD2-CB 3.3Å; D41-R55 WeakPolarHBondContact OD2-CD 3.41Å; V42-R55 HydrophobicContact CB-CG 3.74Å; V42-R55 HydrophobicContact CG1-CG 3.69Å; R55-V57 PolarHBondContact O-N 3.13Å; R55-L58 PolarHBondContact O-N 3.21Å; R55-A59 WeakPolarHBondContact O-CB 3.41Å; R55-A59 PolarHBondContact O-N 2.93Å; R55-F69 HydrophobicContact CB-CD2 3.89Å; R55-F69 HydrophobicContact CB-CE2 4Å; R55-F69 HydrophobicContact CG-CD2 4.13Å; R55-F69 HydrophobicContact CG-CE2 3.93Å; R55-F69 HydrophobicContact CG-CZ 4.15Å; R55-E75 PolarHBondContact NH2-O 3.42Å; R55-R76 PolarHBondContact NH1-O 2.77Å; R55-R76 VanDerWaalsContact NH2-C 3.35Å; R55-R76 PolarHBondContact NH2-O 2.97Å; R55-Q78 PolarHBondContact NH2-O 3.28Å
56	I	93.8	Very high	94.2	Very high	126 Å²	126	49.4 Å²	49.4	65%	0.646	27%	0.268	S	S	*	.	H	α-helix	trans	-65.1	-38.2	-178.6	-167.8	61	0	0	0	112.5	H54 A60	H54-I56 HydrophobicContact CB-CG2 4.47Å; H54-I56 PolarHBondContact O-N 3.31Å; I56-A60 VanDerWaalsContact O-CB 3.23Å; I56-A60 WeakPolarHBondContact O-CB 3.43Å; I56-A60 PolarHBondContact O-N 3.07Å
57	V	95.1	Very high	94.1	Very high	4 Å²	4	51 Å²	51	2%	0.024	28%	0.283	C	S	.	.	H	α-helix	trans	-71.3	-45.7	178.3	179.3	0	0	0	0	109.9	Y27 M30 H54 R55 A59 A60 S61 Y99	Y27-V57 HydrophobicContact CE1-CG1 4.12Å; M30-V57 HydrophobicContact SD-CG2 3.68Å; H54-V57 HydrophobicContact CB-CB 4.31Å; H54-V57 HydrophobicContact CB-CG2 4Å; H54-V57 PolarHBondContact O-N 3.31Å; H54-V57 VanDerWaalsContact O-N 3.12Å; R55-V57 PolarHBondContact O-N 3.13Å; V57-A59 VanDerWaalsContact C-N 3.34Å; V57-A59 PolarHBondContact O-N 3.49Å; V57-A60 PolarHBondContact O-N 3.21Å; V57-S61 PolarHBondContact O-N 3.43Å; V57-S61 PolarHBondContact O-OG 2.84Å; V57-Y99 HydrophobicContact CB-CE1 3.91Å; V57-Y99 HydrophobicContact CB-CE2 4.37Å; V57-Y99 HydrophobicContact CG1-CD1 3.9Å; V57-Y99 HydrophobicContact CG1-CD2 4.16Å; V57-Y99 HydrophobicContact CG1-CE1 3.62Å; V57-Y99 HydrophobicContact CG1-CE2 3.87Å; V57-Y99 HydrophobicContact CG1-CG 4.15Å; V57-Y99 HydrophobicContact CG2-CE1 3.78Å
58	L	95.4	Very high	94.2	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-60.8	-43.1	175.8	-63.8	-176.2	0	0	0	111.8	V42 L44 A53 H54 R55 A60 S61 I62 F65 F69 I95 A98	V42-L58 HydrophobicContact CG1-CD1 4.2Å; L44-L58 HydrophobicContact CD1-CD1 4.01Å; A53-L58 HydrophobicContact CB-CD1 3.67Å; A53-L58 HydrophobicContact CB-CD2 4.34Å; A53-L58 HydrophobicContact CB-CG 4.06Å; H54-L58 PolarHBondContact O-N 2.95Å; H54-L58 VanDerWaalsContact O-N 3.07Å; R55-L58 PolarHBondContact O-N 3.21Å; L58-A60 VanDerWaalsContact C-N 3.32Å; L58-A60 PolarHBondContact O-N 3.11Å; L58-S61 PolarHBondContact O-N 3.46Å; L58-I62 HydrophobicContact CD2-CD1 4.03Å; L58-I62 WeakPolarHBondContact O-CA 3.41Å; L58-I62 VanDerWaalsContact O-CB 3.3Å; L58-I62 WeakPolarHBondContact O-CB 3.44Å; L58-I62 PolarHBondContact O-N 3.46Å; L58-F65 HydrophobicContact CB-CB 3.93Å; L58-F65 HydrophobicContact CB-CD2 3.95Å; L58-F65 HydrophobicContact CB-CG 4.09Å; L58-F65 HydrophobicContact CD1-CD2 4.18Å; L58-F65 HydrophobicContact CD1-CE2 4.35Å; L58-F65 HydrophobicContact CD1-CG 4.42Å; L58-F65 HydrophobicContact CD2-CD2 4.43Å; L58-F65 HydrophobicContact CG-CD2 4.42Å; L58-F69 HydrophobicContact CB-CE2 4.14Å; L58-F69 HydrophobicContact CD1-CE2 4.39Å; L58-I95 HydrophobicContact CD2-CG2 4.48Å; L58-A98 HydrophobicContact CD2-CB 4.27Å
59	A	94.4	Very high	94.2	Very high	11 Å²	11	42.5 Å²	42.5	9%	0.091	23%	0.23	C	C	.	.	H	α-helix	trans	-69.9	-25.8	177	0	0	0	0	0	113.8	R55 V57 H66 F69	R55-A59 WeakPolarHBondContact O-CB 3.41Å; R55-A59 PolarHBondContact O-N 2.93Å; V57-A59 VanDerWaalsContact C-N 3.34Å; V57-A59 PolarHBondContact O-N 3.49Å; A59-H66 VanDerWaalsContact O-CB 3.26Å; A59-H66 WeakPolarHBondContact O-CB 3.34Å; A59-H66 PolarHBondContact O-ND1 3.28Å; A59-F69 HydrophobicContact CB-CD2 4.16Å
60	A	94.1	Very high	93.9	Very high	66 Å²	66	40.9 Å²	40.9	55%	0.545	23%	0.227	S	C	.	.	H	α-helix	trans	-77.1	-34.2	176.1	0	0	0	0	0	112	I56 V57 L58	I56-A60 VanDerWaalsContact O-CB 3.23Å; I56-A60 WeakPolarHBondContact O-CB 3.43Å; I56-A60 PolarHBondContact O-N 3.07Å; V57-A60 PolarHBondContact O-N 3.21Å; L58-A60 VanDerWaalsContact C-N 3.32Å; L58-A60 PolarHBondContact O-N 3.11Å
61	S	94	Very high	93.4	Very high	35 Å²	35	39.4 Å²	39.4	25%	0.245	23%	0.226	C	C	.	.	H	α-helix	trans	-108.3	-21.7	-169.9	-53.4	0	0	0	0	114.6	V57 L58 A98 L122	V57-S61 PolarHBondContact O-N 3.43Å; V57-S61 PolarHBondContact O-OG 2.84Å; L58-S61 PolarHBondContact O-N 3.46Å; S61-A98 PolarHBondContact OG-O 3.3Å; S61-L122 WeakPolarHBondContact O-CD2 3.41Å
62	I	96.1	Very high	92.4	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	26%	0.259	C	S	.	.			trans	-123.4	111.8	-173.8	-55.5	-177	0	0	0	109.9	L58 Y64 F65 H66 A98 L120 L122	L58-I62 HydrophobicContact CD2-CD1 4.03Å; L58-I62 WeakPolarHBondContact O-CA 3.41Å; L58-I62 VanDerWaalsContact O-CB 3.3Å; L58-I62 WeakPolarHBondContact O-CB 3.44Å; L58-I62 PolarHBondContact O-N 3.46Å; I62-Y64 VanDerWaalsContact C-N 3.29Å; I62-Y64 PolarHBondContact O-N 3.43Å; I62-F65 HydrophobicContact CB-CB 4.43Å; I62-F65 HydrophobicContact CB-CD2 3.81Å; I62-F65 HydrophobicContact CD1-CD2 3.81Å; I62-F65 HydrophobicContact CD1-CE2 3.98Å; I62-F65 HydrophobicContact CG1-CD2 4.35Å; I62-F65 HydrophobicContact CG2-CD2 3.63Å; I62-F65 HydrophobicContact CG2-CE2 4.23Å; I62-F65 HydrophobicContact CG2-CG 4.44Å; I62-F65 PolarHBondContact O-N 2.72Å; I62-F65 VanDerWaalsContact O-N 3.11Å; I62-H66 PolarHBondContact O-N 3.34Å; I62-A98 HydrophobicContact CD1-CB 4.02Å; I62-A98 HydrophobicContact CG1-CB 4.15Å; I62-L120 HydrophobicContact CD1-CD1 4.4Å; I62-L120 HydrophobicContact CG2-CB 3.79Å; I62-L120 HydrophobicContact CG2-CD1 4.43Å; I62-L120 HydrophobicContact CG2-CD2 4.3Å; I62-L120 HydrophobicContact CG2-CG 4.41Å; I62-L120 WeakPolarHBondContact CG2-O 3.47Å; I62-L122 HydrophobicContact CD1-CD1 4.47Å; I62-L122 HydrophobicContact CG1-CD1 4.29Å; I62-L122 HydrophobicContact CG1-CD2 4.19Å; I62-L122 HydrophobicContact CG2-CG 4.42Å
63	P	95.3	Very high	91.4	Very high	57 Å²	57	47.8 Å²	47.8	37%	0.37	27%	0.266	S	S	.	.	H	α-helix	trans	-59.3	-35.1	-175.1	-26.3	35.1	0	0	0	114.5	H66 A67 Q121	P63-H66 WeakPolarHBondContact O-CB 3.26Å; P63-H66 PolarHBondContact O-N 2.99Å; P63-A67 PolarHBondContact O-N 2.99Å; P63-Q121 HydrophobicContact CB-CB 4.11Å; P63-Q121 HydrophobicContact CG-CB 4.38Å; P63-Q121 WeakPolarHBondContact CG-O 3.46Å
64	Y	93.8	Very high	90.3	Very high	62 Å²	62	52.9 Å²	52.9	24%	0.243	30%	0.296	C	S	.	.	H	α-helix	trans	-58.8	-48.5	175	177.7	-96.4	0	0	0	112.3	I62 A67 M68 M83 F119 L120	I62-Y64 VanDerWaalsContact C-N 3.29Å; I62-Y64 PolarHBondContact O-N 3.43Å; Y64-A67 PolarHBondContact O-N 2.91Å; Y64-M68 HydrophobicContact CD1-CE 4.27Å; Y64-M68 HydrophobicContact CE1-CE 3.3Å; Y64-M68 HydrophobicContact CE1-SD 4.47Å; Y64-M68 VanDerWaalsContact CZ-CE 3.47Å; Y64-M68 WeakPolarHBondContact O-CB 3.28Å; Y64-M68 PolarHBondContact O-N 3.37Å; Y64-M68 VanDerWaalsContact OH-CE 3.27Å; Y64-M68 WeakPolarHBondContact OH-CE 3.44Å; Y64-M83 HydrophobicContact CE1-CE 3.96Å; Y64-M83 HydrophobicContact CE1-SD 4.32Å; Y64-F119 HydrophobicContact CD2-CE1 4.45Å; Y64-F119 HydrophobicContact CE1-CE1 4.04Å; Y64-F119 AromaticContact CE2-CE1 3.99Å; Y64-F119 HydrophobicContact CE2-CE1 3.99Å; Y64-F119 HydrophobicContact CE2-CZ 4.1Å; Y64-F119 AromaticContact CZ-CE1 3.76Å; Y64-F119 AromaticContact CZ-CZ 3.97Å; Y64-L120 HydrophobicContact CD1-CD2 3.71Å; Y64-L120 HydrophobicContact CE1-CD2 4.4Å; Y64-L120 HydrophobicContact CG-CD2 4.09Å; Y64-L120 PolarHBondContact N-O 3.22Å
65	F	94.1	Very high	89.4	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-73.2	-30.2	178.2	-68.5	-55.7	0	0	0	112.5	L44 L58 I62 M68 F69 M83 L120	L44-F65 HydrophobicContact CD1-CE1 4.15Å; L44-F65 HydrophobicContact CD1-CE2 4.08Å; L44-F65 HydrophobicContact CD1-CZ 3.54Å; L44-F65 HydrophobicContact CD2-CE1 3.85Å; L44-F65 HydrophobicContact CD2-CZ 4.07Å; L44-F65 HydrophobicContact CG-CZ 4.47Å; L58-F65 HydrophobicContact CB-CB 3.93Å; L58-F65 HydrophobicContact CB-CD2 3.95Å; L58-F65 HydrophobicContact CB-CG 4.09Å; L58-F65 HydrophobicContact CD1-CD2 4.18Å; L58-F65 HydrophobicContact CD1-CE2 4.35Å; L58-F65 HydrophobicContact CD1-CG 4.42Å; L58-F65 HydrophobicContact CD2-CD2 4.43Å; L58-F65 HydrophobicContact CG-CD2 4.42Å; I62-F65 HydrophobicContact CB-CB 4.43Å; I62-F65 HydrophobicContact CB-CD2 3.81Å; I62-F65 HydrophobicContact CD1-CD2 3.81Å; I62-F65 HydrophobicContact CD1-CE2 3.98Å; I62-F65 HydrophobicContact CG1-CD2 4.35Å; I62-F65 HydrophobicContact CG2-CD2 3.63Å; I62-F65 HydrophobicContact CG2-CE2 4.23Å; I62-F65 HydrophobicContact CG2-CG 4.44Å; I62-F65 PolarHBondContact O-N 2.72Å; I62-F65 VanDerWaalsContact O-N 3.11Å; F65-M68 HydrophobicContact CD1-SD 4.11Å; F65-M68 HydrophobicContact CE1-SD 4.42Å; F65-M68 PolarHBondContact O-N 3.34Å; F65-F69 HydrophobicContact CB-CD2 4.12Å; F65-F69 HydrophobicContact CB-CE2 3.77Å; F65-F69 HydrophobicContact CB-CZ 4.34Å; F65-F69 HydrophobicContact CD1-CE2 4.1Å; F65-F69 AromaticContact CD1-CZ 3.82Å; F65-F69 HydrophobicContact CD1-CZ 3.82Å; F65-F69 HydrophobicContact CG-CE2 4.17Å; F65-F69 HydrophobicContact CG-CZ 4.36Å; F65-F69 WeakPolarHBondContact O-CB 3.35Å; F65-F69 VanDerWaalsContact O-CD2 3.29Å; F65-F69 WeakPolarHBondContact O-CD2 3.43Å; F65-F69 VanDerWaalsContact O-CG 3.28Å; F65-F69 WeakPolarHBondContact O-CG 3.38Å; F65-F69 PolarHBondContact O-N 2.91Å; F65-M83 HydrophobicContact CE1-CE 4.23Å; F65-M83 HydrophobicContact CE1-SD 4.14Å; F65-M83 HydrophobicContact CZ-CE 3.9Å; F65-M83 HydrophobicContact CZ-SD 4.25Å; F65-L120 HydrophobicContact CD2-CD2 4.48Å; F65-L120 HydrophobicContact CE2-CD1 4.39Å; F65-L120 HydrophobicContact CE2-CD2 3.8Å; F65-L120 HydrophobicContact CZ-CD2 3.98Å
66	H	93.4	Very high	88.5	Confident	98 Å²	98	57.9 Å²	57.9	45%	0.454	32%	0.317	S	S	.	.	H	α-helix	trans	-54.6	-58	169.5	-174.2	84.2	0	0	0	110	A59 I62 P63 M68 F69 T70	A59-H66 VanDerWaalsContact O-CB 3.26Å; A59-H66 WeakPolarHBondContact O-CB 3.34Å; A59-H66 PolarHBondContact O-ND1 3.28Å; I62-H66 PolarHBondContact O-N 3.34Å; P63-H66 WeakPolarHBondContact O-CB 3.26Å; P63-H66 PolarHBondContact O-N 2.99Å; H66-M68 VanDerWaalsContact C-N 3.29Å; H66-M68 PolarHBondContact O-N 3.3Å; H66-F69 PolarHBondContact O-N 3.4Å; H66-T70 WeakPolarHBondContact O-CB 3.41Å; H66-T70 WeakPolarHBondContact O-CG2 3.4Å; H66-T70 PolarHBondContact O-N 3.01Å; H66-T70 PolarHBondContact O-OG1 3.45Å
67	A	90.9	Very high	87.8	Confident	44 Å²	44	61 Å²	61	36%	0.364	33%	0.325	S	S	.	.	H	α-helix	trans	-60.8	-38.1	180	0	0	0	0	0	112.4	P63 Y64 N71	P63-A67 PolarHBondContact O-N 2.99Å; Y64-A67 PolarHBondContact O-N 2.91Å; A67-N71 VanDerWaalsContact O-CB 3.24Å; A67-N71 WeakPolarHBondContact O-CB 3.29Å; A67-N71 PolarHBondContact O-N 2.8Å; A67-N71 PolarHBondContact O-ND2 3.49Å
68	M	90.5	Very high	87.3	Confident	15 Å²	15	64.4 Å²	64.4	7%	0.074	34%	0.341	C	S	.	.	H	α-helix	trans	-66.3	-41.1	178.5	-177.2	-178.1	-77	0	0	112.9	Y64 F65 H66 E75 I81	Y64-M68 HydrophobicContact CD1-CE 4.27Å; Y64-M68 HydrophobicContact CE1-CE 3.3Å; Y64-M68 HydrophobicContact CE1-SD 4.47Å; Y64-M68 VanDerWaalsContact CZ-CE 3.47Å; Y64-M68 WeakPolarHBondContact O-CB 3.28Å; Y64-M68 PolarHBondContact O-N 3.37Å; Y64-M68 VanDerWaalsContact OH-CE 3.27Å; Y64-M68 WeakPolarHBondContact OH-CE 3.44Å; F65-M68 HydrophobicContact CD1-SD 4.11Å; F65-M68 HydrophobicContact CE1-SD 4.42Å; F65-M68 PolarHBondContact O-N 3.34Å; H66-M68 VanDerWaalsContact C-N 3.29Å; H66-M68 PolarHBondContact O-N 3.3Å; M68-E75 HydrophobicContact CG-CB 3.94Å; M68-E75 HydrophobicContact SD-CB 3.96Å; M68-E75 HydrophobicContact SD-CG 4.49Å; M68-I81 HydrophobicContact SD-CD1 3.88Å; M68-I81 HydrophobicContact SD-CG2 4.26Å
69	F	91.3	Very high	86.8	Confident	18 Å²	18	70.7 Å²	70.7	8%	0.079	38%	0.375	C	S	.	.	H	α-helix	trans	-90.8	-23.5	-172.9	-60.4	-28.1	0	0	0	114.1	V42 R55 L58 A59 F65 H66 R76 I81	V42-F69 HydrophobicContact CG2-CZ 4.35Å; R55-F69 HydrophobicContact CB-CD2 3.89Å; R55-F69 HydrophobicContact CB-CE2 4Å; R55-F69 HydrophobicContact CG-CD2 4.13Å; R55-F69 HydrophobicContact CG-CE2 3.93Å; R55-F69 HydrophobicContact CG-CZ 4.15Å; L58-F69 HydrophobicContact CB-CE2 4.14Å; L58-F69 HydrophobicContact CD1-CE2 4.39Å; A59-F69 HydrophobicContact CB-CD2 4.16Å; F65-F69 HydrophobicContact CB-CD2 4.12Å; F65-F69 HydrophobicContact CB-CE2 3.77Å; F65-F69 HydrophobicContact CB-CZ 4.34Å; F65-F69 HydrophobicContact CD1-CE2 4.1Å; F65-F69 AromaticContact CD1-CZ 3.82Å; F65-F69 HydrophobicContact CD1-CZ 3.82Å; F65-F69 HydrophobicContact CG-CE2 4.17Å; F65-F69 HydrophobicContact CG-CZ 4.36Å; F65-F69 WeakPolarHBondContact O-CB 3.35Å; F65-F69 VanDerWaalsContact O-CD2 3.29Å; F65-F69 WeakPolarHBondContact O-CD2 3.43Å; F65-F69 VanDerWaalsContact O-CG 3.28Å; F65-F69 WeakPolarHBondContact O-CG 3.38Å; F65-F69 PolarHBondContact O-N 2.91Å; H66-F69 PolarHBondContact O-N 3.4Å; F69-R76 WeakPolarHBondContact O-CD 3.24Å; F69-R76 PolarHBondContact O-NE 2.99Å; F69-I81 HydrophobicContact CE1-CD1 3.58Å; F69-I81 HydrophobicContact CZ-CD1 4.06Å
70	T	87.8	Confident	86.8	Confident	72 Å²	72	74 Å²	74	44%	0.442	39%	0.389	S	S	.	.	H	α-helix	trans	-93.6	-22.6	-179.7	63.3	0	0	0	0	113.7	H66	H66-T70 WeakPolarHBondContact O-CB 3.41Å; H66-T70 WeakPolarHBondContact O-CG2 3.4Å; H66-T70 PolarHBondContact O-N 3.01Å; H66-T70 PolarHBondContact O-OG1 3.45Å
71	N	84.3	Confident	86.7	Confident	90 Å²	90	71 Å²	71	48%	0.481	36%	0.364	S	S	.	.	S	Bend	trans	-91.5	165.6	175.5	-62.3	-42.1	0	0	0	112.2	A67 M73 R76	A67-N71 VanDerWaalsContact O-CB 3.24Å; A67-N71 WeakPolarHBondContact O-CB 3.29Å; A67-N71 PolarHBondContact O-N 2.8Å; A67-N71 PolarHBondContact O-ND2 3.49Å; N71-M73 HydrophobicContact CB-CG 4.33Å; N71-M73 PolarHBondContact O-N 3.38Å; N71-R76 WeakPolarHBondContact O-CD 3.39Å
72	D	74.2	Confident	86.5	Confident	150 Å²	150	74.2 Å²	74.2	80%	0.802	38%	0.377	S	S	*	.	S	Bend	trans	-76.3	53.6	178.6	-83	-24.7	0	0	0	113.1	R76	D72-R76 IonicContact OD1-NH1 3.13Å; D72-R76 PolarHBondContact OD1-NH1 3.47Å
73	M	76.3	Confident	86.3	Confident	96 Å²	96	74.5 Å²	74.5	47%	0.473	38%	0.378	S	S	.	.			trans	-84.5	152.3	172.1	-63.3	-65.9	-71.1	0	0	110.6	N71 E75 R76	N71-M73 HydrophobicContact CB-CG 4.33Å; N71-M73 PolarHBondContact O-N 3.38Å; M73-E75 VanDerWaalsContact C-N 3.31Å; M73-E75 PolarHBondContact O-N 3.12Å; M73-R76 WeakPolarHBondContact O-CB 3.48Å; M73-R76 PolarHBondContact O-N 2.89Å
74	V	72.3	Confident	85.9	Confident	106 Å²	106	78.9 Å²	78.9	64%	0.642	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-68.3	-35.9	-178.3	177.8	0	0	0	0	111	R76 K77	V74-R76 PolarHBondContact O-N 3.21Å; V74-R76 VanDerWaalsContact O-N 3.16Å; V74-K77 PolarHBondContact O-N 3.08Å
75	E	76.9	Confident	85.4	Confident	58 Å²	58	79.7 Å²	79.7	27%	0.271	42%	0.421	S	S	.	.	G	3₁₀ helix	trans	-58.9	-25.2	177.3	-62.8	81.6	176.4	0	0	111.8	R55 M68 M73 K77 Q78 I81	R55-E75 PolarHBondContact NH2-O 3.42Å; M68-E75 HydrophobicContact CG-CB 3.94Å; M68-E75 HydrophobicContact SD-CB 3.96Å; M68-E75 HydrophobicContact SD-CG 4.49Å; M73-E75 VanDerWaalsContact C-N 3.31Å; M73-E75 PolarHBondContact O-N 3.12Å; E75-K77 PolarHBondContact O-N 2.93Å; E75-K77 VanDerWaalsContact O-N 3.11Å; E75-Q78 PolarHBondContact O-N 3.32Å; E75-Q78 VanDerWaalsContact O-N 3.07Å; E75-I81 HydrophobicContact CB-CD1 4.32Å
76	R	75.4	Confident	85.3	Confident	107 Å²	107	80.5 Å²	80.5	40%	0.404	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-58.1	-24.8	173	-175.8	-179	173.2	-162.3	2.5	112.4	R55 F69 N71 D72 M73 V74	R55-R76 PolarHBondContact NH1-O 2.77Å; R55-R76 VanDerWaalsContact NH2-C 3.35Å; R55-R76 PolarHBondContact NH2-O 2.97Å; F69-R76 WeakPolarHBondContact O-CD 3.24Å; F69-R76 PolarHBondContact O-NE 2.99Å; N71-R76 WeakPolarHBondContact O-CD 3.39Å; D72-R76 IonicContact OD1-NH1 3.13Å; D72-R76 PolarHBondContact OD1-NH1 3.47Å; M73-R76 WeakPolarHBondContact O-CB 3.48Å; M73-R76 PolarHBondContact O-N 2.89Å; V74-R76 PolarHBondContact O-N 3.21Å; V74-R76 VanDerWaalsContact O-N 3.16Å
77	K	77.4	Confident	85.3	Confident	190 Å²	190	79.2 Å²	79.2	83%	0.826	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-104.6	3	179	-63.4	-178.3	-176.9	175.1	0	113.6	V74 E75	V74-K77 PolarHBondContact O-N 3.08Å; E75-K77 PolarHBondContact O-N 2.93Å; E75-K77 VanDerWaalsContact O-N 3.11Å
78	Q	85.8	Confident	85.6	Confident	77 Å²	77	78.5 Å²	78.5	36%	0.36	41%	0.414	S	S	.	.			trans	-92.8	137.4	-178.3	-66.6	179.8	-13.9	0	0	111.3	R55 E75 I81	R55-Q78 PolarHBondContact NH2-O 3.28Å; E75-Q78 PolarHBondContact O-N 3.32Å; E75-Q78 VanDerWaalsContact O-N 3.07Å; Q78-I81 HydrophobicContact CB-CG1 4.4Å
79	D	85.4	Confident	85.8	Confident	131 Å²	131	81.2 Å²	81.2	70%	0.701	43%	0.434	S	S	*	.	S	Bend	trans	-80.7	-25.4	173.2	-61.5	-29.3	0	0	0	111.5	T43	T43-D79 PolarHBondContact N-O 2.9Å
80	E	92.5	Very high	86	Confident	81 Å²	81	80.5 Å²	80.5	38%	0.379	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	121.5	178.6	-172.2	167.9	-158.1	0	0	110.5	T43 K45 K50	T43-E80 CarbonylContact O-C 3.53Å; T43-E80 VanDerWaalsContact O-CA 3.3Å; T43-E80 WeakPolarHBondContact O-CA 3.45Å; K45-E80 HydrophobicContact CB-CG 4.31Å; K45-E80 VanDerWaalsContact CD-OE1 3.29Å; K45-E80 WeakPolarHBondContact CD-OE1 3.38Å; K50-E80 WeakPolarHBondContact CE-OE1 3.36Å; K50-E80 IonicContact NZ-OE1 4Å; K50-E80 PolarHBondContact NZ-OE1 3.06Å; K50-E80 IonicContact NZ-OE2 2.66Å; K50-E80 PolarHBondContact NZ-OE2 3.07Å
81	I	92.2	Very high	86.4	Confident	4 Å²	4	77 Å²	77	2%	0.021	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	123.1	-177.3	-58	175.2	0	0	0	108.9	V42 T43 L44 K45 M68 F69 E75 Q78 M83	V42-I81 HydrophobicContact CG2-CD1 3.69Å; V42-I81 HydrophobicContact CG2-CG1 4.13Å; T43-I81 PolarHBondContact O-N 3.3Å; L44-I81 HydrophobicContact CD2-CB 4.01Å; L44-I81 HydrophobicContact CD2-CD1 4.4Å; L44-I81 HydrophobicContact CD2-CG2 4.46Å; K45-I81 PolarHBondContact N-O 2.54Å; M68-I81 HydrophobicContact SD-CD1 3.88Å; M68-I81 HydrophobicContact SD-CG2 4.26Å; F69-I81 HydrophobicContact CE1-CD1 3.58Å; F69-I81 HydrophobicContact CZ-CD1 4.06Å; E75-I81 HydrophobicContact CB-CD1 4.32Å; Q78-I81 HydrophobicContact CB-CG1 4.4Å; I81-M83 HydrophobicContact CG2-SD 4.29Å
82	L	91.1	Very high	87	Confident	102 Å²	102	76.2 Å²	76.2	53%	0.534	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	118.2	178.4	-175.8	69.6	0	0	0	110.5	K45 Q84	K45-L82 HydrophobicContact CB-CD1 4.37Å; K45-L82 HydrophobicContact CD-CD1 4.42Å; K45-L82 HydrophobicContact CG-CD1 4.2Å; L82-Q84 HydrophobicContact CD2-CG 4.3Å; L82-Q84 HydrophobicContact CG-CG 4.32Å
83	M	90.5	Very high	88	Confident	6 Å²	6	70.4 Å²	70.4	3%	0.03	38%	0.376	C	S	.	.			trans	-99.3	115.7	176.2	-61.2	-66.1	-70.4	0	0	108.8	L44 K45 V46 Y64 F65 I81 M86 L91 F119 L120	L44-M83 HydrophobicContact CB-CG 4.4Å; L44-M83 HydrophobicContact CD2-CG 4.49Å; K45-M83 PolarHBondContact O-N 3.27Å; V46-M83 HydrophobicContact CG2-CB 3.67Å; Y64-M83 HydrophobicContact CE1-CE 3.96Å; Y64-M83 HydrophobicContact CE1-SD 4.32Å; F65-M83 HydrophobicContact CE1-CE 4.23Å; F65-M83 HydrophobicContact CE1-SD 4.14Å; F65-M83 HydrophobicContact CZ-CE 3.9Å; F65-M83 HydrophobicContact CZ-SD 4.25Å; I81-M83 HydrophobicContact CG2-SD 4.29Å; M83-M86 HydrophobicContact CE-SD 3.68Å; M83-L91 HydrophobicContact CG-CD2 4.37Å; M83-F119 HydrophobicContact CE-CD1 4.33Å; M83-F119 HydrophobicContact CE-CE1 3.65Å; M83-L120 HydrophobicContact CE-CD2 3.98Å
84	Q	87.6	Confident	89	Confident	150 Å²	150	65.8 Å²	65.8	70%	0.701	35%	0.353	S	S	*	.			trans	-99	147.3	179.6	-63.4	-173.6	-1	0	0	111.1	L82 M86	L82-Q84 HydrophobicContact CD2-CG 4.3Å; L82-Q84 HydrophobicContact CG-CG 4.32Å; Q84-M86 VanDerWaalsContact C-N 3.31Å; Q84-M86 PolarHBondContact O-N 3Å
85	G	84.3	Confident	90.1	Very high	79 Å²	79	60.8 Å²	60.8	81%	0.814	32%	0.323	S	S	*	.	S	Bend	trans	74.3	14	173	0	0	0	0	0	115.7
86	M	91.2	Very high	91	Very high	16 Å²	16	59.5 Å²	59.5	8%	0.079	32%	0.318	C	S	.	.			trans	-111.2	146.7	175.8	-71.2	-172.8	71.3	0	0	111.5	V46 M83 Q84 L91 L94 F119 L120	V46-M86 WeakPolarHBondContact CG1-O 3.42Å; M83-M86 HydrophobicContact CE-SD 3.68Å; Q84-M86 VanDerWaalsContact C-N 3.31Å; Q84-M86 PolarHBondContact O-N 3Å; M86-L91 HydrophobicContact CE-CB 3.98Å; M86-L91 HydrophobicContact CE-CD1 3.73Å; M86-L91 HydrophobicContact CE-CG 4.4Å; M86-L91 HydrophobicContact SD-CD1 4.23Å; M86-L94 HydrophobicContact CE-CD1 4.27Å; M86-F119 HydrophobicContact CG-CD1 4.35Å; M86-F119 HydrophobicContact SD-CD1 3.73Å; M86-F119 HydrophobicContact SD-CE1 4.14Å; M86-F119 HydrophobicContact SD-CG 4.45Å; M86-L120 HydrophobicContact CE-CD1 3.97Å; M86-L120 HydrophobicContact CE-CG 4.13Å; M86-L120 HydrophobicContact SD-CD2 4.45Å; M86-L120 HydrophobicContact SD-CG 4.45Å
87	D	94.3	Very high	92	Very high	71 Å²	71	56.1 Å²	56.1	38%	0.38	31%	0.306	S	S	.	.			trans	-75.6	133	168.3	179.8	-92.1	0	0	0	110.4	S89 A90 L91 A112	D87-S89 VanDerWaalsContact C-N 3.32Å; D87-S89 PolarHBondContact O-N 3.01Å; D87-S89 WeakPolarHBondContact OD1-CA 3.32Å; D87-S89 VanDerWaalsContact OD1-CB 3.3Å; D87-S89 WeakPolarHBondContact OD1-CB 3.03Å; D87-S89 PolarHBondContact OD1-N 3.21Å; D87-S89 PolarHBondContact OD1-OG 3.13Å; D87-A90 HydrophobicContact CB-CB 4.09Å; D87-A90 PolarHBondContact O-N 2.89Å; D87-A90 PolarHBondContact OD1-N 3.23Å; D87-A90 VanDerWaalsContact OD1-N 3.12Å; D87-L91 PolarHBondContact O-N 3.06Å; D87-A112 HydrophobicContact CB-CB 4.03Å
88	P	95.6	Very high	92.9	Very high	30 Å²	30	47.3 Å²	47.3	20%	0.195	27%	0.268	C	S	.	.	H	α-helix	trans	-58.5	-38.9	-179.1	-24.4	32.4	0	0	0	114	V46 H49 F51 L91 E92	V46-P88 HydrophobicContact CB-CG 4.38Å; V46-P88 HydrophobicContact CG1-CG 3.81Å; H49-P88 HydrophobicContact CB-CB 4.07Å; F51-P88 HydrophobicContact CE2-CB 4.44Å; F51-P88 HydrophobicContact CZ-CB 4.11Å; F51-P88 WeakPolarHBondContact CZ-O 3.33Å; P88-L91 PolarHBondContact O-N 3.35Å; P88-E92 PolarHBondContact O-N 3.27Å
89	S	95.3	Very high	93.3	Very high	72 Å²	72	43.9 Å²	43.9	50%	0.503	25%	0.252	S	S	.	.	H	α-helix	trans	-70.7	-38.5	-178.4	76.3	0	0	0	0	111.3	D87 E92 A93	D87-S89 VanDerWaalsContact C-N 3.32Å; D87-S89 PolarHBondContact O-N 3.01Å; D87-S89 WeakPolarHBondContact OD1-CA 3.32Å; D87-S89 VanDerWaalsContact OD1-CB 3.3Å; D87-S89 WeakPolarHBondContact OD1-CB 3.03Å; D87-S89 PolarHBondContact OD1-N 3.21Å; D87-S89 PolarHBondContact OD1-OG 3.13Å; S89-E92 PolarHBondContact O-N 3.39Å; S89-A93 WeakPolarHBondContact O-CB 3.42Å; S89-A93 PolarHBondContact O-N 3.24Å
90	A	96.1	Very high	93.7	Very high	2 Å²	2	39.7 Å²	39.7	2%	0.017	23%	0.234	C	C	.	.	H	α-helix	trans	-65.6	-43.1	173.7	0	0	0	0	0	111.7	D87 E92 A93 L94 A112 L113	D87-A90 HydrophobicContact CB-CB 4.09Å; D87-A90 PolarHBondContact O-N 2.89Å; D87-A90 PolarHBondContact OD1-N 3.23Å; D87-A90 VanDerWaalsContact OD1-N 3.12Å; A90-E92 VanDerWaalsContact C-N 3.34Å; A90-E92 PolarHBondContact O-N 3.33Å; A90-A93 PolarHBondContact O-N 2.99Å; A90-L94 VanDerWaalsContact O-CG 3.23Å; A90-L94 WeakPolarHBondContact O-CG 3.45Å; A90-L94 PolarHBondContact O-N 3.09Å; A90-A112 HydrophobicContact CB-CB 3.84Å; A90-L113 HydrophobicContact CB-CD2 4.29Å
91	L	96.2	Very high	93.7	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-61.1	-44.4	175.7	179.5	61.4	0	0	0	111.1	L44 V46 F51 M83 M86 D87 P88 A93 L94 I95 L120	L44-L91 HydrophobicContact CB-CD2 4.31Å; L44-L91 HydrophobicContact CD1-CD1 4.49Å; V46-L91 HydrophobicContact CG2-CD2 3.34Å; F51-L91 HydrophobicContact CD2-CD2 3.86Å; F51-L91 HydrophobicContact CD2-CG 4.43Å; F51-L91 HydrophobicContact CE2-CD2 4.06Å; M83-L91 HydrophobicContact CG-CD2 4.37Å; M86-L91 HydrophobicContact CE-CB 3.98Å; M86-L91 HydrophobicContact CE-CD1 3.73Å; M86-L91 HydrophobicContact CE-CG 4.4Å; M86-L91 HydrophobicContact SD-CD1 4.23Å; D87-L91 PolarHBondContact O-N 3.06Å; P88-L91 PolarHBondContact O-N 3.35Å; L91-A93 VanDerWaalsContact C-N 3.34Å; L91-A93 PolarHBondContact O-N 3.43Å; L91-L94 PolarHBondContact O-N 3.45Å; L91-I95 HydrophobicContact CD1-CD1 4.04Å; L91-I95 HydrophobicContact CD1-CG1 4.13Å; L91-I95 HydrophobicContact CD2-CD1 4.42Å; L91-I95 HydrophobicContact CG-CD1 3.82Å; L91-I95 HydrophobicContact CG-CG1 4.36Å; L91-I95 VanDerWaalsContact O-CG1 3.28Å; L91-I95 WeakPolarHBondContact O-CG1 3.32Å; L91-I95 PolarHBondContact O-N 3.17Å; L91-L120 HydrophobicContact CD1-CD1 4.28Å
92	E	95.6	Very high	93.8	Very high	73 Å²	73	47.9 Å²	47.9	34%	0.341	28%	0.277	S	S	.	.	H	α-helix	trans	-59.4	-45.7	176.9	-166.5	-177	172	0	0	111.6	R35 F51 P88 S89 A90 L94 I95 N96	R35-E92 IonicContact NH1-OE1 3.75Å; R35-E92 PolarHBondContact NH1-OE1 2.98Å; F51-E92 HydrophobicContact CD1-CB 4.18Å; F51-E92 HydrophobicContact CD1-CG 4.13Å; F51-E92 HydrophobicContact CE1-CB 3.62Å; F51-E92 HydrophobicContact CE1-CG 3.87Å; F51-E92 HydrophobicContact CZ-CB 4.24Å; P88-E92 PolarHBondContact O-N 3.27Å; S89-E92 PolarHBondContact O-N 3.39Å; A90-E92 VanDerWaalsContact C-N 3.34Å; A90-E92 PolarHBondContact O-N 3.33Å; E92-L94 VanDerWaalsContact C-N 3.33Å; E92-L94 PolarHBondContact O-N 2.92Å; E92-I95 PolarHBondContact O-N 3.32Å; E92-N96 WeakPolarHBondContact O-CB 3.19Å; E92-N96 PolarHBondContact O-N 3.06Å; E92-N96 PolarHBondContact O-ND2 3.35Å; E92-N96 PolarHBondContact O-OD1 3.4Å
93	A	96.8	Very high	94	Very high	27 Å²	27	45 Å²	45	22%	0.223	26%	0.263	C	S	.	.	H	α-helix	trans	-60.8	-41	178	0	0	0	0	0	112.3	S89 A90 L91 N96 F97 V103 L113	S89-A93 WeakPolarHBondContact O-CB 3.42Å; S89-A93 PolarHBondContact O-N 3.24Å; A90-A93 PolarHBondContact O-N 2.99Å; L91-A93 VanDerWaalsContact C-N 3.34Å; L91-A93 PolarHBondContact O-N 3.43Å; A93-N96 PolarHBondContact O-N 2.96Å; A93-F97 WeakPolarHBondContact O-CB 3.37Å; A93-F97 PolarHBondContact O-N 2.92Å; A93-V103 HydrophobicContact CB-CG2 4.49Å; A93-L113 HydrophobicContact CB-CD2 3.83Å
94	L	97.1	Very high	94.3	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-73.1	-32.8	178.8	-64.2	170.7	0	0	0	112.6	M86 A90 L91 E92 F97 A98 L113 L120 L122 V125	M86-L94 HydrophobicContact CE-CD1 4.27Å; A90-L94 VanDerWaalsContact O-CG 3.23Å; A90-L94 WeakPolarHBondContact O-CG 3.45Å; A90-L94 PolarHBondContact O-N 3.09Å; L91-L94 PolarHBondContact O-N 3.45Å; E92-L94 VanDerWaalsContact C-N 3.33Å; E92-L94 PolarHBondContact O-N 2.92Å; L94-F97 WeakPolarHBondContact O-CB 3.41Å; L94-F97 PolarHBondContact O-N 3.14Å; L94-A98 PolarHBondContact O-N 3.42Å; L94-A98 VanDerWaalsContact O-N 3.14Å; L94-L113 HydrophobicContact CD2-CD2 4.26Å; L94-L113 HydrophobicContact CG-CD2 4.25Å; L94-L120 HydrophobicContact CB-CD1 4.04Å; L94-L120 HydrophobicContact CD1-CD1 3.89Å; L94-L122 HydrophobicContact CB-CD1 4.36Å; L94-L122 HydrophobicContact CD2-CD1 3.92Å; L94-V125 HydrophobicContact CD2-CG1 3.93Å
95	I	95.6	Very high	94.8	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-64.8	-47.7	168.6	-67.1	165.9	0	0	0	109.4	L44 F51 L58 L91 E92 F97 A98 Y99	L44-I95 HydrophobicContact CD1-CD1 3.8Å; L44-I95 HydrophobicContact CD1-CG1 4.28Å; F51-I95 HydrophobicContact CB-CD1 3.68Å; F51-I95 HydrophobicContact CG-CD1 4.08Å; L58-I95 HydrophobicContact CD2-CG2 4.48Å; L91-I95 HydrophobicContact CD1-CD1 4.04Å; L91-I95 HydrophobicContact CD1-CG1 4.13Å; L91-I95 HydrophobicContact CD2-CD1 4.42Å; L91-I95 HydrophobicContact CG-CD1 3.82Å; L91-I95 HydrophobicContact CG-CG1 4.36Å; L91-I95 VanDerWaalsContact O-CG1 3.28Å; L91-I95 WeakPolarHBondContact O-CG1 3.32Å; L91-I95 PolarHBondContact O-N 3.17Å; E92-I95 PolarHBondContact O-N 3.32Å; I95-F97 PolarHBondContact O-N 3.2Å; I95-A98 WeakPolarHBondContact O-CB 3.47Å; I95-A98 PolarHBondContact O-N 3.31Å; I95-Y99 HydrophobicContact CG2-CD2 4.43Å; I95-Y99 HydrophobicContact CG2-CE2 4.22Å; I95-Y99 WeakPolarHBondContact O-CD2 3.35Å; I95-Y99 PolarHBondContact O-N 3.36Å
96	N	95.1	Very high	95.4	Very high	30 Å²	30	42.7 Å²	42.7	16%	0.16	25%	0.248	C	C	.	.	H	α-helix	trans	-60.2	-35.6	177.5	-65.2	-23.2	0	0	0	111.5	R34 R35 E92 A93 A98 Y99 S100	R34-N96 PolarHBondContact NH2-OD1 3.48Å; R35-N96 VanDerWaalsContact NH2-CG 3.32Å; R35-N96 PolarHBondContact NH2-ND2 3.29Å; R35-N96 PolarHBondContact NH2-OD1 2.84Å; E92-N96 WeakPolarHBondContact O-CB 3.19Å; E92-N96 PolarHBondContact O-N 3.06Å; E92-N96 PolarHBondContact O-ND2 3.35Å; E92-N96 PolarHBondContact O-OD1 3.4Å; A93-N96 PolarHBondContact O-N 2.96Å; N96-A98 PolarHBondContact O-N 3.16Å; N96-Y99 PolarHBondContact O-N 3.43Å; N96-S100 WeakPolarHBondContact O-CB 3.45Å; N96-S100 PolarHBondContact O-N 3.02Å; N96-S100 PolarHBondContact O-OG 3.01Å
97	F	96.4	Very high	95.4	Very high	37 Å²	37	49 Å²	49	16%	0.162	28%	0.277	C	S	.	.	H	α-helix	trans	-61.4	-39.7	173	174.6	-96.8	0	0	0	112.4	A93 L94 I95 Y99 S100 G101 V103 L122 V125	A93-F97 WeakPolarHBondContact O-CB 3.37Å; A93-F97 PolarHBondContact O-N 2.92Å; L94-F97 WeakPolarHBondContact O-CB 3.41Å; L94-F97 PolarHBondContact O-N 3.14Å; I95-F97 PolarHBondContact O-N 3.2Å; F97-Y99 PolarHBondContact O-N 2.96Å; F97-S100 PolarHBondContact O-N 2.99Å; F97-G101 WeakPolarHBondContact CE2-O 3.46Å; F97-G101 VanDerWaalsContact O-CA 3.31Å; F97-G101 WeakPolarHBondContact O-CA 3.4Å; F97-G101 PolarHBondContact O-N 3.4Å; F97-V103 HydrophobicContact CB-CB 4.45Å; F97-V103 HydrophobicContact CD2-CB 4.06Å; F97-V103 HydrophobicContact CD2-CG1 4.08Å; F97-L122 HydrophobicContact CD1-CD1 4.31Å; F97-L122 HydrophobicContact CE1-CD2 4.2Å; F97-V125 HydrophobicContact CD1-CG2 3.96Å; F97-V125 HydrophobicContact CD2-CG2 4.09Å; F97-V125 HydrophobicContact CE1-CG2 3.69Å; F97-V125 HydrophobicContact CE2-CG2 3.83Å; F97-V125 HydrophobicContact CG-CG2 4.15Å; F97-V125 HydrophobicContact CZ-CG2 3.63Å
98	A	95.6	Very high	95.4	Very high	4 Å²	4	54.4 Å²	54.4	3%	0.033	30%	0.3	C	S	.	.	H	α-helix	trans	-61.1	-27.5	176.8	0	0	0	0	0	113.5	L58 S61 I62 L94 I95 N96	L58-A98 HydrophobicContact CD2-CB 4.27Å; S61-A98 PolarHBondContact OG-O 3.3Å; I62-A98 HydrophobicContact CD1-CB 4.02Å; I62-A98 HydrophobicContact CG1-CB 4.15Å; L94-A98 PolarHBondContact O-N 3.42Å; L94-A98 VanDerWaalsContact O-N 3.14Å; I95-A98 WeakPolarHBondContact O-CB 3.47Å; I95-A98 PolarHBondContact O-N 3.31Å; N96-A98 PolarHBondContact O-N 3.16Å
99	Y	94.8	Very high	95.4	Very high	5 Å²	5	54.6 Å²	54.6	2%	0.02	30%	0.3	C	S	.	.	H	α-helix	trans	-92.3	-38.4	177.8	-74.1	-91.8	0	0	0	113.3	M30 E31 R34 H54 V57 I95 N96 F97	M30-Y99 HydrophobicContact CB-CD1 4.11Å; M30-Y99 HydrophobicContact CB-CE1 4.05Å; E31-Y99 HydrophobicContact CB-CD1 4.16Å; E31-Y99 HydrophobicContact CB-CG 4.35Å; E31-Y99 HydrophobicContact CG-CG 4.42Å; R34-Y99 HydrophobicContact CB-CE1 4.26Å; R34-Y99 VanDerWaalsContact CD-CZ 3.48Å; H54-Y99 VanDerWaalsContact CB-OH 3.28Å; H54-Y99 WeakPolarHBondContact CB-OH 3.42Å; H54-Y99 PolarHBondContact N-OH 3.35Å; H54-Y99 AromaticContact ND1-CE1 3.77Å; H54-Y99 AromaticContact ND1-CZ 3.72Å; H54-Y99 PolarHBondContact ND1-OH 3.47Å; V57-Y99 HydrophobicContact CB-CE1 3.91Å; V57-Y99 HydrophobicContact CB-CE2 4.37Å; V57-Y99 HydrophobicContact CG1-CD1 3.9Å; V57-Y99 HydrophobicContact CG1-CD2 4.16Å; V57-Y99 HydrophobicContact CG1-CE1 3.62Å; V57-Y99 HydrophobicContact CG1-CE2 3.87Å; V57-Y99 HydrophobicContact CG1-CG 4.15Å; V57-Y99 HydrophobicContact CG2-CE1 3.78Å; I95-Y99 HydrophobicContact CG2-CD2 4.43Å; I95-Y99 HydrophobicContact CG2-CE2 4.22Å; I95-Y99 WeakPolarHBondContact O-CD2 3.35Å; I95-Y99 PolarHBondContact O-N 3.36Å; N96-Y99 PolarHBondContact O-N 3.43Å; F97-Y99 PolarHBondContact O-N 2.96Å
100	S	93.2	Very high	95.4	Very high	44 Å²	44	51.4 Å²	51.4	31%	0.308	28%	0.277	S	S	.	.	H	α-helix	trans	-101.8	-19.2	-170.3	66.1	0	0	0	0	114.3	N96 F97 R102	N96-S100 WeakPolarHBondContact O-CB 3.45Å; N96-S100 PolarHBondContact O-N 3.02Å; N96-S100 PolarHBondContact O-OG 3.01Å; F97-S100 PolarHBondContact O-N 2.99Å; S100-R102 PolarHBondContact O-N 3.44Å; S100-R102 PolarHBondContact OG-N 2.84Å; S100-R102 VanDerWaalsContact OG-N 3.17Å; S100-R102 PolarHBondContact OG-O 3.33Å
101	G	92.9	Very high	95.4	Very high	53 Å²	53	56.7 Å²	56.7	55%	0.546	30%	0.301	S	S	.	.	S	Bend	trans	66.8	12.9	-168.6	0	0	0	0	0	114	F97	F97-G101 WeakPolarHBondContact CE2-O 3.46Å; F97-G101 VanDerWaalsContact O-CA 3.31Å; F97-G101 WeakPolarHBondContact O-CA 3.4Å; F97-G101 PolarHBondContact O-N 3.4Å
102	R	94.2	Very high	95.4	Very high	204 Å²	204	57.9 Å²	57.9	77%	0.77	31%	0.311	S	S	*	.			trans	-126.4	139.3	-175	-62.5	177.8	-174.5	178.9	1.2	111.1	S100	S100-R102 PolarHBondContact O-N 3.44Å; S100-R102 PolarHBondContact OG-N 2.84Å; S100-R102 VanDerWaalsContact OG-N 3.17Å; S100-R102 PolarHBondContact OG-O 3.33Å
103	V	96.6	Very high	95.4	Very high	40 Å²	40	54.4 Å²	54.4	24%	0.242	30%	0.295	C	S	.	.			trans	-141.1	134.1	173.6	63	0	0	0	0	108.7	A93 F97 I105 L113 V125	A93-V103 HydrophobicContact CB-CG2 4.49Å; F97-V103 HydrophobicContact CB-CB 4.45Å; F97-V103 HydrophobicContact CD2-CB 4.06Å; F97-V103 HydrophobicContact CD2-CG1 4.08Å; V103-I105 HydrophobicContact CG1-CG1 4.39Å; V103-L113 HydrophobicContact CG2-CD1 3.94Å; V103-L113 HydrophobicContact CG2-CD2 4.17Å; V103-V125 HydrophobicContact CG1-CG1 4.15Å; V103-V125 HydrophobicContact CG1-CG2 4.27Å
104	A	96.6	Very high	95.3	Very high	78 Å²	78	53.1 Å²	53.1	65%	0.645	28%	0.284	S	S	*	.			trans	-91.6	126	174.5	0	0	0	0	0	108.9	N109	A104-N109 PolarHBondContact O-ND2 3.02Å
105	I	97.4	Very high	95.2	Very high	41 Å²	41	56.2 Å²	56.2	21%	0.21	30%	0.3	C	S	.	.			trans	-112.6	128.3	-179.4	-54.8	171.5	0	0	0	108.3	V103 N109 V110 L113 A128 F132	V103-I105 HydrophobicContact CG1-CG1 4.39Å; I105-N109 WeakPolarHBondContact CA-OD1 3.4Å; I105-V110 HydrophobicContact CG2-CB 3.88Å; I105-V110 HydrophobicContact CG2-CG2 3.85Å; I105-L113 HydrophobicContact CG1-CD1 4.09Å; I105-A128 HydrophobicContact CD1-CB 3.75Å; I105-F132 HydrophobicContact CG2-CB 4.1Å; I105-F132 HydrophobicContact CG2-CD1 4.1Å; I105-F132 HydrophobicContact CG2-CD2 4.03Å; I105-F132 HydrophobicContact CG2-CE2 4.49Å; I105-F132 HydrophobicContact CG2-CG 3.81Å
106	D	96.1	Very high	95.2	Very high	68 Å²	68	56.2 Å²	56.2	36%	0.364	30%	0.301	S	S	.	.			trans	-139	179.1	177	65.7	44.1	0	0	0	111.4	Q108 N109 V110	D106-Q108 PolarHBondContact O-N 3.43Å; D106-Q108 WeakPolarHBondContact OD1-CA 3.46Å; D106-Q108 WeakPolarHBondContact OD1-CB 3.33Å; D106-Q108 PolarHBondContact OD1-N 3.49Å; D106-N109 PolarHBondContact N-OD1 2.71Å; D106-N109 PolarHBondContact O-OD1 3.26Å; D106-N109 PolarHBondContact OD1-N 3.23Å; D106-N109 PolarHBondContact OD1-OD1 3.45Å; D106-V110 VanDerWaalsContact O-CB 3.23Å; D106-V110 WeakPolarHBondContact O-CB 3.29Å; D106-V110 WeakPolarHBondContact O-CG1 3.23Å; D106-V110 PolarHBondContact O-N 3.34Å; D106-V110 VanDerWaalsContact O-N 3.09Å
107	Q	92.4	Very high	95.2	Very high	150 Å²	150	54.8 Å²	54.8	70%	0.701	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-24	-177.4	-66.5	-178.8	-4.2	0	0	113.9	F132	Q107-F132 HydrophobicContact CG-CE1 4.35Å; Q107-F132 HydrophobicContact CG-CZ 4.28Å
108	Q	94	Very high	95.1	Very high	184 Å²	184	54.9 Å²	54.9	86%	0.86	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-35.6	-176.6	-61.1	179.8	4	0	0	111.1	D106	D106-Q108 PolarHBondContact O-N 3.43Å; D106-Q108 WeakPolarHBondContact OD1-CA 3.46Å; D106-Q108 WeakPolarHBondContact OD1-CB 3.33Å; D106-Q108 PolarHBondContact OD1-N 3.49Å
109	N	95.8	Very high	95	Very high	34 Å²	34	58.7 Å²	58.7	18%	0.182	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99	-17.8	-173.7	75.9	12	0	0	0	114.5	A104 I105 D106 Q111 A112 L113	A104-N109 PolarHBondContact O-ND2 3.02Å; I105-N109 WeakPolarHBondContact CA-OD1 3.4Å; D106-N109 PolarHBondContact N-OD1 2.71Å; D106-N109 PolarHBondContact O-OD1 3.26Å; D106-N109 PolarHBondContact OD1-N 3.23Å; D106-N109 PolarHBondContact OD1-OD1 3.45Å; N109-Q111 VanDerWaalsContact C-N 3.31Å; N109-Q111 PolarHBondContact O-N 3.28Å; N109-A112 PolarHBondContact O-N 2.93Å; N109-A112 VanDerWaalsContact O-N 3.14Å; N109-L113 HydrophobicContact CB-CD1 4.26Å; N109-L113 HydrophobicContact CB-CG 4.38Å; N109-L113 WeakPolarHBondContact O-CB 3.47Å; N109-L113 WeakPolarHBondContact O-CG 3.42Å; N109-L113 PolarHBondContact O-N 2.89Å; N109-L113 WeakPolarHBondContact OD1-CD1 3.44Å
110	V	95.9	Very high	95	Very high	4 Å²	4	58.5 Å²	58.5	2%	0.024	31%	0.313	C	S	.	.	H	α-helix	trans	-58	-39	-170.2	62.4	0	0	0	0	113.6	I105 D106 L114 C129 F132 L133	I105-V110 HydrophobicContact CG2-CB 3.88Å; I105-V110 HydrophobicContact CG2-CG2 3.85Å; D106-V110 VanDerWaalsContact O-CB 3.23Å; D106-V110 WeakPolarHBondContact O-CB 3.29Å; D106-V110 WeakPolarHBondContact O-CG1 3.23Å; D106-V110 PolarHBondContact O-N 3.34Å; D106-V110 VanDerWaalsContact O-N 3.09Å; V110-L114 VanDerWaalsContact O-CB 3.31Å; V110-L114 WeakPolarHBondContact O-CB 3.45Å; V110-L114 PolarHBondContact O-N 3.05Å; V110-C129 HydrophobicContact CG2-CB 3.95Å; V110-F132 HydrophobicContact CB-CD1 4.17Å; V110-F132 HydrophobicContact CB-CE1 4.38Å; V110-F132 HydrophobicContact CG1-CD1 4.37Å; V110-F132 HydrophobicContact CG1-CE1 4.33Å; V110-F132 HydrophobicContact CG2-CD1 3.93Å; V110-L133 HydrophobicContact CG1-CD2 3.89Å; V110-L133 HydrophobicContact CG2-CD1 4.25Å; V110-L133 HydrophobicContact CG2-CD2 4.16Å; V110-L133 HydrophobicContact CG2-CG 3.92Å
111	Q	94.5	Very high	95	Very high	113 Å²	113	62 Å²	62	53%	0.528	33%	0.325	S	S	.	.	H	α-helix	trans	-66.9	-47.8	178.6	-69.7	-177	-29.9	0	0	111.1	N109 L113 L114 I115 F148	N109-Q111 VanDerWaalsContact C-N 3.31Å; N109-Q111 PolarHBondContact O-N 3.28Å; Q111-L113 VanDerWaalsContact C-N 3.34Å; Q111-L113 PolarHBondContact O-N 3.03Å; Q111-L114 PolarHBondContact O-N 3.39Å; Q111-I115 VanDerWaalsContact O-CG1 3.29Å; Q111-I115 WeakPolarHBondContact O-CG1 3.32Å; Q111-I115 PolarHBondContact O-N 3.11Å; Q111-F148 HydrophobicContact CB-CE1 4.27Å; Q111-F148 HydrophobicContact CB-CE2 4.37Å; Q111-F148 HydrophobicContact CB-CZ 3.86Å; Q111-F148 HydrophobicContact CG-CD1 4.5Å; Q111-F148 HydrophobicContact CG-CE1 3.99Å; Q111-F148 HydrophobicContact CG-CE2 4.47Å; Q111-F148 HydrophobicContact CG-CZ 4Å
112	A	95.7	Very high	95.2	Very high	25 Å²	25	60.1 Å²	60.1	21%	0.207	30%	0.302	C	S	.	.	H	α-helix	trans	-64.7	-39.1	178.8	0	0	0	0	0	111.8	D87 A90 N109 G116	D87-A112 HydrophobicContact CB-CB 4.03Å; A90-A112 HydrophobicContact CB-CB 3.84Å; N109-A112 PolarHBondContact O-N 2.93Å; N109-A112 VanDerWaalsContact O-N 3.14Å; A112-G116 PolarHBondContact O-N 2.79Å
113	L	96.7	Very high	95.2	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-66.4	-40.4	174.1	-74.1	179.3	0	0	0	112.4	A90 A93 L94 V103 I105 N109 Q111 G116 S117	A90-L113 HydrophobicContact CB-CD2 4.29Å; A93-L113 HydrophobicContact CB-CD2 3.83Å; L94-L113 HydrophobicContact CD2-CD2 4.26Å; L94-L113 HydrophobicContact CG-CD2 4.25Å; V103-L113 HydrophobicContact CG2-CD1 3.94Å; V103-L113 HydrophobicContact CG2-CD2 4.17Å; I105-L113 HydrophobicContact CG1-CD1 4.09Å; N109-L113 HydrophobicContact CB-CD1 4.26Å; N109-L113 HydrophobicContact CB-CG 4.38Å; N109-L113 WeakPolarHBondContact O-CB 3.47Å; N109-L113 WeakPolarHBondContact O-CG 3.42Å; N109-L113 PolarHBondContact O-N 2.89Å; N109-L113 WeakPolarHBondContact OD1-CD1 3.44Å; Q111-L113 VanDerWaalsContact C-N 3.34Å; Q111-L113 PolarHBondContact O-N 3.03Å; L113-G116 PolarHBondContact O-N 3.27Å; L113-S117 WeakPolarHBondContact O-CB 3.36Å; L113-S117 PolarHBondContact O-N 3.04Å; L113-S117 PolarHBondContact O-OG 2.88Å
114	L	95.3	Very high	95.1	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-65.1	-44.8	177.4	-171.4	71	0	0	0	110.9	V110 Q111 S117 S118 K126 C129 L133 F148 M152	V110-L114 VanDerWaalsContact O-CB 3.31Å; V110-L114 WeakPolarHBondContact O-CB 3.45Å; V110-L114 PolarHBondContact O-N 3.05Å; Q111-L114 PolarHBondContact O-N 3.39Å; L114-S117 WeakPolarHBondContact CA-OG 3.4Å; L114-S117 PolarHBondContact O-OG 3.41Å; L114-S117 VanDerWaalsContact O-OG 3.11Å; L114-S118 VanDerWaalsContact O-CB 3.27Å; L114-S118 WeakPolarHBondContact O-CB 3.37Å; L114-S118 PolarHBondContact O-N 3.44Å; L114-K126 HydrophobicContact CD1-CB 4.35Å; L114-K126 HydrophobicContact CD1-CG 3.65Å; L114-K126 WeakPolarHBondContact CD1-O 3.27Å; L114-C129 HydrophobicContact CB-CB 4.05Å; L114-C129 HydrophobicContact CD1-CB 3.62Å; L114-C129 HydrophobicContact CG-CB 4.4Å; L114-L133 HydrophobicContact CD2-CD1 4.49Å; L114-F148 HydrophobicContact CB-CE1 4.16Å; L114-F148 HydrophobicContact CB-CZ 4.21Å; L114-F148 HydrophobicContact CD2-CD1 4.03Å; L114-F148 HydrophobicContact CD2-CE1 3.31Å; L114-F148 HydrophobicContact CD2-CZ 3.92Å; L114-F148 HydrophobicContact CG-CE1 4.27Å; L114-M152 HydrophobicContact CD2-CB 4.34Å; L114-M152 HydrophobicContact CD2-CG 4.13Å
115	I	94.8	Very high	95.1	Very high	64 Å²	64	55.9 Å²	55.9	33%	0.328	28%	0.28	S	S	.	.	H	α-helix	trans	-59.6	-51	175.3	-66.2	162.6	0	0	0	109.8	Q111 S118 F119 F148 M152	Q111-I115 VanDerWaalsContact O-CG1 3.29Å; Q111-I115 WeakPolarHBondContact O-CG1 3.32Å; Q111-I115 PolarHBondContact O-N 3.11Å; I115-S118 PolarHBondContact O-N 2.91Å; I115-F119 WeakPolarHBondContact O-CB 3.34Å; I115-F119 PolarHBondContact O-N 3.37Å; I115-F148 HydrophobicContact CD1-CE2 4.12Å; I115-F148 HydrophobicContact CD1-CZ 4.4Å; I115-F148 HydrophobicContact CG1-CE2 4.09Å; I115-F148 HydrophobicContact CG1-CZ 4.11Å; I115-M152 HydrophobicContact CB-SD 4.41Å; I115-M152 HydrophobicContact CG1-CE 4.3Å; I115-M152 HydrophobicContact CG1-SD 3.72Å
116	G	95.1	Very high	95	Very high	2 Å²	2	55.3 Å²	55.3	2%	0.021	28%	0.276	C	S	.	.	H	α-helix	trans	-65	-41.7	-177.4	0	0	0	0	0	113.4	A112 L113 F119 L120	A112-G116 PolarHBondContact O-N 2.79Å; L113-G116 PolarHBondContact O-N 3.27Å; G116-F119 PolarHBondContact O-N 3.34Å; G116-L120 VanDerWaalsContact O-CB 3.32Å; G116-L120 WeakPolarHBondContact O-CB 3.41Å; G116-L120 WeakPolarHBondContact O-CG 3.28Å; G116-L120 PolarHBondContact O-N 3.3Å
117	S	95.3	Very high	94.9	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-69.7	-36	177	58.6	0	0	0	0	112	L113 L114 Q121 L122	L113-S117 WeakPolarHBondContact O-CB 3.36Å; L113-S117 PolarHBondContact O-N 3.04Å; L113-S117 PolarHBondContact O-OG 2.88Å; L114-S117 WeakPolarHBondContact CA-OG 3.4Å; L114-S117 PolarHBondContact O-OG 3.41Å; L114-S117 VanDerWaalsContact O-OG 3.11Å; S117-Q121 CarbonylContact O-C 3.28Å; S117-Q121 WeakPolarHBondContact O-CA 3.32Å; S117-Q121 PolarHBondContact O-N 3.01Å; S117-L122 PolarHBondContact O-N 3.5Å
118	S	93.3	Very high	95.1	Very high	39 Å²	39	50.4 Å²	50.4	27%	0.273	26%	0.26	S	S	.	.	H	α-helix	trans	-66.3	-42.6	173.1	-164.3	0	0	0	0	111.2	L114 I115 Q121 K126	L114-S118 VanDerWaalsContact O-CB 3.27Å; L114-S118 WeakPolarHBondContact O-CB 3.37Å; L114-S118 PolarHBondContact O-N 3.44Å; I115-S118 PolarHBondContact O-N 2.91Å; S118-Q121 PolarHBondContact O-N 2.96Å; S118-K126 PolarHBondContact OG-NZ 3.21Å
119	F	93.7	Very high	95.3	Very high	84 Å²	84	41.6 Å²	41.6	37%	0.368	22%	0.219	S	C	.	.	H	α-helix	trans	-62	-46.8	175.9	-177.3	-90	0	0	0	112	Y64 M83 M86 I115 G116 Q121	Y64-F119 HydrophobicContact CD2-CE1 4.45Å; Y64-F119 HydrophobicContact CE1-CE1 4.04Å; Y64-F119 AromaticContact CE2-CE1 3.99Å; Y64-F119 HydrophobicContact CE2-CE1 3.99Å; Y64-F119 HydrophobicContact CE2-CZ 4.1Å; Y64-F119 AromaticContact CZ-CE1 3.76Å; Y64-F119 AromaticContact CZ-CZ 3.97Å; M83-F119 HydrophobicContact CE-CD1 4.33Å; M83-F119 HydrophobicContact CE-CE1 3.65Å; M86-F119 HydrophobicContact CG-CD1 4.35Å; M86-F119 HydrophobicContact SD-CD1 3.73Å; M86-F119 HydrophobicContact SD-CE1 4.14Å; M86-F119 HydrophobicContact SD-CG 4.45Å; I115-F119 WeakPolarHBondContact O-CB 3.34Å; I115-F119 PolarHBondContact O-N 3.37Å; G116-F119 PolarHBondContact O-N 3.34Å; F119-Q121 PolarHBondContact O-N 3.38Å
120	L	94.8	Very high	95.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-0.8	179.9	-66.5	-176.8	0	0	0	114	I62 Y64 F65 M83 M86 L91 L94 G116 L122	I62-L120 HydrophobicContact CD1-CD1 4.4Å; I62-L120 HydrophobicContact CG2-CB 3.79Å; I62-L120 HydrophobicContact CG2-CD1 4.43Å; I62-L120 HydrophobicContact CG2-CD2 4.3Å; I62-L120 HydrophobicContact CG2-CG 4.41Å; I62-L120 WeakPolarHBondContact CG2-O 3.47Å; Y64-L120 HydrophobicContact CD1-CD2 3.71Å; Y64-L120 HydrophobicContact CE1-CD2 4.4Å; Y64-L120 HydrophobicContact CG-CD2 4.09Å; Y64-L120 PolarHBondContact N-O 3.22Å; F65-L120 HydrophobicContact CD2-CD2 4.48Å; F65-L120 HydrophobicContact CE2-CD1 4.39Å; F65-L120 HydrophobicContact CE2-CD2 3.8Å; F65-L120 HydrophobicContact CZ-CD2 3.98Å; M83-L120 HydrophobicContact CE-CD2 3.98Å; M86-L120 HydrophobicContact CE-CD1 3.97Å; M86-L120 HydrophobicContact CE-CG 4.13Å; M86-L120 HydrophobicContact SD-CD2 4.45Å; M86-L120 HydrophobicContact SD-CG 4.45Å; L91-L120 HydrophobicContact CD1-CD1 4.28Å; L94-L120 HydrophobicContact CB-CD1 4.04Å; L94-L120 HydrophobicContact CD1-CD1 3.89Å; G116-L120 VanDerWaalsContact O-CB 3.32Å; G116-L120 WeakPolarHBondContact O-CB 3.41Å; G116-L120 WeakPolarHBondContact O-CG 3.28Å; G116-L120 PolarHBondContact O-N 3.3Å; L120-L122 VanDerWaalsContact C-N 3.33Å; L120-L122 HydrophobicContact CB-CD1 4.27Å; L120-L122 HydrophobicContact CB-CG 4.33Å; L120-L122 PolarHBondContact O-N 3.25Å
121	Q	94.8	Very high	95.3	Very high	119 Å²	119	43 Å²	43	56%	0.556	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.4	35.8	-179.2	-54.3	176.6	15.9	0	0	114	P63 S117 S118 F119 Q123	P63-Q121 HydrophobicContact CB-CB 4.11Å; P63-Q121 HydrophobicContact CG-CB 4.38Å; P63-Q121 WeakPolarHBondContact CG-O 3.46Å; S117-Q121 CarbonylContact O-C 3.28Å; S117-Q121 WeakPolarHBondContact O-CA 3.32Å; S117-Q121 PolarHBondContact O-N 3.01Å; S118-Q121 PolarHBondContact O-N 2.96Å; F119-Q121 PolarHBondContact O-N 3.38Å; Q121-Q123 PolarHBondContact O-N 2.97Å
122	L	95.7	Very high	95.4	Very high	13 Å²	13	39 Å²	39	7%	0.068	21%	0.212	C	C	.	.			trans	-88.8	81.8	176.4	-73.3	171.7	0	0	0	111	S61 I62 L94 F97 S117 L120 N124 V125 K126	S61-L122 WeakPolarHBondContact O-CD2 3.41Å; I62-L122 HydrophobicContact CD1-CD1 4.47Å; I62-L122 HydrophobicContact CG1-CD1 4.29Å; I62-L122 HydrophobicContact CG1-CD2 4.19Å; I62-L122 HydrophobicContact CG2-CG 4.42Å; L94-L122 HydrophobicContact CB-CD1 4.36Å; L94-L122 HydrophobicContact CD2-CD1 3.92Å; F97-L122 HydrophobicContact CD1-CD1 4.31Å; F97-L122 HydrophobicContact CE1-CD2 4.2Å; S117-L122 PolarHBondContact O-N 3.5Å; L120-L122 VanDerWaalsContact C-N 3.33Å; L120-L122 HydrophobicContact CB-CD1 4.27Å; L120-L122 HydrophobicContact CB-CG 4.33Å; L120-L122 PolarHBondContact O-N 3.25Å; L122-N124 PolarHBondContact O-N 3.27Å; L122-V125 HydrophobicContact CB-CB 4.31Å; L122-V125 HydrophobicContact CB-CG2 4.36Å; L122-V125 PolarHBondContact O-N 3.17Å; L122-K126 PolarHBondContact O-N 3.3Å
123	Q	94.1	Very high	95.4	Very high	100 Å²	100	38.9 Å²	38.9	47%	0.467	21%	0.208	S	C	.	.	H	α-helix	trans	-57.9	-42.4	-173.3	-166.3	60.4	41.1	0	0	113.3	Q121 V125 K126 D127	Q121-Q123 PolarHBondContact O-N 2.97Å; Q123-V125 VanDerWaalsContact C-N 3.31Å; Q123-V125 PolarHBondContact O-N 3.27Å; Q123-K126 WeakPolarHBondContact O-CB 3.46Å; Q123-K126 PolarHBondContact O-N 3.36Å; Q123-K126 VanDerWaalsContact O-N 3.17Å; Q123-D127 PolarHBondContact NE2-OD1 3.32Å; Q123-D127 WeakPolarHBondContact O-CB 3.3Å; Q123-D127 VanDerWaalsContact O-CG 3.22Å; Q123-D127 PolarHBondContact O-N 3.46Å
124	N	95.4	Very high	95.3	Very high	131 Å²	131	42 Å²	42	70%	0.701	22%	0.222	S	C	*	.	H	α-helix	trans	-61.6	-38.2	-179.4	-60.7	-13.2	0	0	0	112.8	L122 A128	L122-N124 PolarHBondContact O-N 3.27Å; N124-A128 WeakPolarHBondContact O-CB 3.28Å; N124-A128 PolarHBondContact O-N 2.92Å; N124-A128 VanDerWaalsContact O-N 3.11Å
125	V	96.1	Very high	95.2	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.012	26%	0.258	C	S	.	.	H	α-helix	trans	-74.9	-38.9	177.7	-179.4	0	0	0	0	110.2	L94 F97 V103 L122 Q123 A128 C129	L94-V125 HydrophobicContact CD2-CG1 3.93Å; F97-V125 HydrophobicContact CD1-CG2 3.96Å; F97-V125 HydrophobicContact CD2-CG2 4.09Å; F97-V125 HydrophobicContact CE1-CG2 3.69Å; F97-V125 HydrophobicContact CE2-CG2 3.83Å; F97-V125 HydrophobicContact CG-CG2 4.15Å; F97-V125 HydrophobicContact CZ-CG2 3.63Å; V103-V125 HydrophobicContact CG1-CG1 4.15Å; V103-V125 HydrophobicContact CG1-CG2 4.27Å; L122-V125 HydrophobicContact CB-CB 4.31Å; L122-V125 HydrophobicContact CB-CG2 4.36Å; L122-V125 PolarHBondContact O-N 3.17Å; Q123-V125 VanDerWaalsContact C-N 3.31Å; Q123-V125 PolarHBondContact O-N 3.27Å; V125-A128 PolarHBondContact O-N 3.23Å; V125-C129 PolarHBondContact O-N 3.2Å; V125-C129 PolarHBondContact O-SG 3.44Å
126	K	95.1	Very high	95.2	Very high	28 Å²	28	52.7 Å²	52.7	12%	0.122	27%	0.265	C	S	.	.	H	α-helix	trans	-57.5	-49.5	174.3	-174.9	-179.9	178.2	164.4	0	110.9	L114 S118 L122 Q123 C129 C130 M152 C154	L114-K126 HydrophobicContact CD1-CB 4.35Å; L114-K126 HydrophobicContact CD1-CG 3.65Å; L114-K126 WeakPolarHBondContact CD1-O 3.27Å; S118-K126 PolarHBondContact OG-NZ 3.21Å; L122-K126 PolarHBondContact O-N 3.3Å; Q123-K126 WeakPolarHBondContact O-CB 3.46Å; Q123-K126 PolarHBondContact O-N 3.36Å; Q123-K126 VanDerWaalsContact O-N 3.17Å; K126-C129 PolarHBondContact O-N 2.95Å; K126-C130 PolarHBondContact O-N 2.81Å; K126-C130 PolarHBondContact O-SG 3.07Å; K126-C130 VanDerWaalsContact O-SG 3.36Å; K126-M152 PolarHBondContact NZ-O 3.19Å; K126-C154 WeakPolarHBondContact CE-SG 3.39Å
127	D	94.9	Very high	95.2	Very high	74 Å²	74	54 Å²	54	40%	0.396	27%	0.271	S	S	.	.	H	α-helix	trans	-63.1	-43.2	178.9	-66.1	-20.1	0	0	0	111.3	Q123 C129 C130 S131	Q123-D127 PolarHBondContact NE2-OD1 3.32Å; Q123-D127 WeakPolarHBondContact O-CB 3.3Å; Q123-D127 VanDerWaalsContact O-CG 3.22Å; Q123-D127 PolarHBondContact O-N 3.46Å; D127-C129 VanDerWaalsContact C-N 3.34Å; D127-C129 PolarHBondContact O-N 3.45Å; D127-C130 WeakPolarHBondContact O-CB 3.29Å; D127-C130 PolarHBondContact O-N 2.83Å; D127-S131 PolarHBondContact O-N 2.81Å; D127-S131 PolarHBondContact O-OG 2.9Å
128	A	96.6	Very high	95.2	Very high	41 Å²	41	58.5 Å²	58.5	34%	0.339	29%	0.293	S	S	.	.	H	α-helix	trans	-61.5	-39.7	175.6	0	0	0	0	0	112.9	I105 N124 V125 S131 F132	I105-A128 HydrophobicContact CD1-CB 3.75Å; N124-A128 WeakPolarHBondContact O-CB 3.28Å; N124-A128 PolarHBondContact O-N 2.92Å; N124-A128 VanDerWaalsContact O-N 3.11Å; V125-A128 PolarHBondContact O-N 3.23Å; A128-S131 PolarHBondContact O-N 2.98Å; A128-F132 WeakPolarHBondContact O-CB 3.23Å; A128-F132 PolarHBondContact O-N 3.47Å
129	C	96.9	Very high	95.2	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-66.4	-40.8	174.6	-67.1	0	0	0	0	111.6	V110 L114 V125 K126 D127 F132 L133	V110-C129 HydrophobicContact CG2-CB 3.95Å; L114-C129 HydrophobicContact CB-CB 4.05Å; L114-C129 HydrophobicContact CD1-CB 3.62Å; L114-C129 HydrophobicContact CG-CB 4.4Å; V125-C129 PolarHBondContact O-N 3.2Å; V125-C129 PolarHBondContact O-SG 3.44Å; K126-C129 PolarHBondContact O-N 2.95Å; D127-C129 VanDerWaalsContact C-N 3.34Å; D127-C129 PolarHBondContact O-N 3.45Å; C129-F132 PolarHBondContact O-N 2.94Å; C129-L133 WeakPolarHBondContact O-CG 3.21Å; C129-L133 PolarHBondContact O-N 3.3Å; C129-L133 VanDerWaalsContact O-N 3.14Å
130	C	96.2	Very high	95.1	Very high	13 Å²	13	60.2 Å²	60.2	9%	0.088	30%	0.296	C	S	.	.	H	α-helix	trans	-60.7	-47.9	174.1	-72.5	0	0	0	0	111.5	K126 D127 F132 L133 Q134 C154 L157	K126-C130 PolarHBondContact O-N 2.81Å; K126-C130 PolarHBondContact O-SG 3.07Å; K126-C130 VanDerWaalsContact O-SG 3.36Å; D127-C130 WeakPolarHBondContact O-CB 3.29Å; D127-C130 PolarHBondContact O-N 2.83Å; C130-F132 VanDerWaalsContact C-N 3.34Å; C130-F132 PolarHBondContact O-N 3.44Å; C130-L133 PolarHBondContact O-N 3.06Å; C130-Q134 WeakPolarHBondContact O-CG 3.36Å; C130-Q134 PolarHBondContact O-N 3.43Å; C130-C154 VanDerWaalsContact SG-SG 3.65Å; C130-L157 HydrophobicContact CB-CB 4.4Å
131	S	95.7	Very high	95	Very high	53 Å²	53	62.8 Å²	62.8	37%	0.371	31%	0.31	S	S	.	.	H	α-helix	trans	-60.3	-42.7	177.2	-60.8	0	0	0	0	112	D127 A128 L133 Q134 E135	D127-S131 PolarHBondContact O-N 2.81Å; D127-S131 PolarHBondContact O-OG 2.9Å; A128-S131 PolarHBondContact O-N 2.98Å; S131-L133 VanDerWaalsContact C-N 3.29Å; S131-L133 PolarHBondContact O-N 3.47Å; S131-Q134 PolarHBondContact O-N 3.24Å; S131-E135 WeakPolarHBondContact O-CG 3.41Å; S131-E135 PolarHBondContact O-N 2.94Å
132	F	96.4	Very high	95	Very high	31 Å²	31	57.1 Å²	57.1	14%	0.136	28%	0.283	C	S	.	.	H	α-helix	trans	-58.7	-39.4	176.7	-178.5	-87.5	0	0	0	112.7	I105 Q107 V110 A128 C129 C130	I105-F132 HydrophobicContact CG2-CB 4.1Å; I105-F132 HydrophobicContact CG2-CD1 4.1Å; I105-F132 HydrophobicContact CG2-CD2 4.03Å; I105-F132 HydrophobicContact CG2-CE2 4.49Å; I105-F132 HydrophobicContact CG2-CG 3.81Å; Q107-F132 HydrophobicContact CG-CE1 4.35Å; Q107-F132 HydrophobicContact CG-CZ 4.28Å; V110-F132 HydrophobicContact CB-CD1 4.17Å; V110-F132 HydrophobicContact CB-CE1 4.38Å; V110-F132 HydrophobicContact CG1-CD1 4.37Å; V110-F132 HydrophobicContact CG1-CE1 4.33Å; V110-F132 HydrophobicContact CG2-CD1 3.93Å; A128-F132 WeakPolarHBondContact O-CB 3.23Å; A128-F132 PolarHBondContact O-N 3.47Å; C129-F132 PolarHBondContact O-N 2.94Å; C130-F132 VanDerWaalsContact C-N 3.34Å; C130-F132 PolarHBondContact O-N 3.44Å
133	L	96.4	Very high	95	Very high	21 Å²	21	56.7 Å²	56.7	11%	0.11	28%	0.281	C	S	.	.	H	α-helix	trans	-72.5	-40.8	176.4	-69.8	173.1	0	0	0	111.9	V110 L114 C129 C130 S131 E135 R136 L137 V145 F148 L157	V110-L133 HydrophobicContact CG1-CD2 3.89Å; V110-L133 HydrophobicContact CG2-CD1 4.25Å; V110-L133 HydrophobicContact CG2-CD2 4.16Å; V110-L133 HydrophobicContact CG2-CG 3.92Å; L114-L133 HydrophobicContact CD2-CD1 4.49Å; C129-L133 WeakPolarHBondContact O-CG 3.21Å; C129-L133 PolarHBondContact O-N 3.3Å; C129-L133 VanDerWaalsContact O-N 3.14Å; C130-L133 PolarHBondContact O-N 3.06Å; S131-L133 VanDerWaalsContact C-N 3.29Å; S131-L133 PolarHBondContact O-N 3.47Å; L133-E135 PolarHBondContact O-N 3.12Å; L133-R136 CarbonylContact O-C 3.6Å; L133-R136 PolarHBondContact O-N 3.32Å; L133-L137 PolarHBondContact O-N 3.31Å; L133-V145 HydrophobicContact CB-CG1 4.34Å; L133-F148 HydrophobicContact CD1-CD1 4.22Å; L133-F148 HydrophobicContact CD1-CE1 4.25Å; L133-L157 HydrophobicContact CB-CD1 3.81Å; L133-L157 HydrophobicContact CB-CD2 4.26Å; L133-L157 HydrophobicContact CD1-CD2 3.74Å
134	Q	94.6	Very high	94.9	Very high	67 Å²	67	53.1 Å²	53.1	31%	0.313	27%	0.271	S	S	.	.	H	α-helix	trans	-60.1	-44.3	177.8	-74.8	177.5	-22.7	0	0	112.2	C130 S131 R136 L137 A156 L157 A160	C130-Q134 WeakPolarHBondContact O-CG 3.36Å; C130-Q134 PolarHBondContact O-N 3.43Å; S131-Q134 PolarHBondContact O-N 3.24Å; Q134-R136 PolarHBondContact O-N 3.21Å; Q134-L137 PolarHBondContact O-N 3.49Å; Q134-A156 PolarHBondContact NE2-O 3.42Å; Q134-L157 HydrophobicContact CB-CD1 4.49Å; Q134-L157 HydrophobicContact CG-CD1 3.49Å; Q134-L157 VanDerWaalsContact CG-CD1 3.49Å; Q134-A160 HydrophobicContact CG-CB 3.99Å
135	E	94.2	Very high	94.9	Very high	159 Å²	159	47.5 Å²	47.5	74%	0.743	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-14.1	179.4	-71.4	177.9	-176.2	0	0	113.7	S131 L133	S131-E135 WeakPolarHBondContact O-CG 3.41Å; S131-E135 PolarHBondContact O-N 2.94Å; L133-E135 PolarHBondContact O-N 3.12Å
136	R	94.4	Very high	94.8	Very high	130 Å²	130	47.7 Å²	47.7	49%	0.491	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.3	25.6	-174.9	-59.7	-177.4	-173.4	-83	-1.5	113	L133 Q134 N141	L133-R136 CarbonylContact O-C 3.6Å; L133-R136 PolarHBondContact O-N 3.32Å; Q134-R136 PolarHBondContact O-N 3.21Å; R136-N141 PolarHBondContact O-ND2 3.24Å
137	L	94.7	Very high	94.7	Very high	28 Å²	28	50.7 Å²	50.7	15%	0.147	26%	0.256	C	S	.	.			trans	-64.2	136.8	170.3	-73.7	171.4	0	0	0	110.7	L133 Q134 C142 V145 A160 A161 F164	L133-L137 PolarHBondContact O-N 3.31Å; Q134-L137 PolarHBondContact O-N 3.49Å; L137-C142 HydrophobicContact CD2-CB 4.45Å; L137-V145 HydrophobicContact CD2-CB 3.99Å; L137-V145 HydrophobicContact CD2-CG1 3.8Å; L137-V145 HydrophobicContact CD2-CG2 4.31Å; L137-A160 HydrophobicContact CD1-CB 4.48Å; L137-A161 HydrophobicContact CD2-CB 4.04Å; L137-F164 HydrophobicContact CB-CD1 4.35Å; L137-F164 HydrophobicContact CB-CD2 3.86Å; L137-F164 HydrophobicContact CB-CE2 4.09Å; L137-F164 HydrophobicContact CB-CG 4.01Å; L137-F164 HydrophobicContact CB-CZ 4.46Å; L137-F164 HydrophobicContact CD1-CB 3.98Å; L137-F164 HydrophobicContact CD1-CD2 4.39Å; L137-F164 HydrophobicContact CD1-CG 4.27Å
138	H	94.2	Very high	94.6	Very high	96 Å²	96	48.6 Å²	48.6	44%	0.444	24%	0.244	S	C	.	.			trans	-146.2	149.4	-177.9	-174.9	-89.7	0	0	0	109.1	K140 N141 C142	H138-K140 PolarHBondContact ND1-N 3.39Å; H138-K140 PolarHBondContact O-N 2.88Å; H138-N141 WeakPolarHBondContact CA-OD1 3.26Å; H138-N141 PolarHBondContact N-OD1 3.26Å; H138-N141 PolarHBondContact O-N 3.42Å; H138-N141 PolarHBondContact O-OD1 2.88Å; H138-C142 WeakPolarHBondContact O-CB 3.2Å; H138-C142 PolarHBondContact O-N 3.46Å
139	P	93.3	Very high	94.5	Very high	11 Å²	11	46.6 Å²	46.6	7%	0.071	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-29.6	-177.9	-29.4	36.2	0	0	0	114.2	C142 F164 H168 E171 A172	P139-C142 PolarHBondContact O-SG 2.99Å; P139-C142 VanDerWaalsContact O-SG 3.41Å; P139-F164 HydrophobicContact CG-CE1 4.13Å; P139-F164 HydrophobicContact CG-CZ 4.39Å; P139-H168 HydrophobicContact CG-CB 4.1Å; P139-E171 HydrophobicContact CB-CB 3.69Å; P139-E171 HydrophobicContact CG-CB 4.02Å; P139-A172 WeakPolarHBondContact O-CA 3.23Å
140	K	91.9	Very high	94.3	Very high	148 Å²	148	51.4 Å²	51.4	64%	0.643	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-16.6	178.5	-62.7	-176.9	178.9	-176.9	0	116.2	H138	H138-K140 PolarHBondContact ND1-N 3.39Å; H138-K140 PolarHBondContact O-N 2.88Å
141	N	93.4	Very high	94.1	Very high	53 Å²	53	54 Å²	54	28%	0.283	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121	-9	-178.1	74.3	-0.7	0	0	0	113.3	R136 H138 L143 G144 V145 E177	R136-N141 PolarHBondContact O-ND2 3.24Å; H138-N141 WeakPolarHBondContact CA-OD1 3.26Å; H138-N141 PolarHBondContact N-OD1 3.26Å; H138-N141 PolarHBondContact O-N 3.42Å; H138-N141 PolarHBondContact O-OD1 2.88Å; N141-L143 VanDerWaalsContact C-N 3.25Å; N141-L143 PolarHBondContact O-N 3.38Å; N141-G144 PolarHBondContact O-N 2.92Å; N141-V145 WeakPolarHBondContact O-CG2 3.35Å; N141-V145 PolarHBondContact O-N 3.06Å; N141-E177 WeakPolarHBondContact CA-OE2 3.39Å
142	C	95	Very high	93.8	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-63.7	-31.5	-171.4	64.9	0	0	0	0	112.6	L137 H138 P139 R146 F164	L137-C142 HydrophobicContact CD2-CB 4.45Å; H138-C142 WeakPolarHBondContact O-CB 3.2Å; H138-C142 PolarHBondContact O-N 3.46Å; P139-C142 PolarHBondContact O-SG 2.99Å; P139-C142 VanDerWaalsContact O-SG 3.41Å; C142-R146 VanDerWaalsContact O-CB 3.22Å; C142-R146 WeakPolarHBondContact O-CB 3.4Å; C142-R146 PolarHBondContact O-N 3.4Å; C142-F164 HydrophobicContact CB-CD1 3.77Å; C142-F164 HydrophobicContact CB-CE1 4.3Å
143	L	94.7	Very high	93.5	Very high	4 Å²	4	59.8 Å²	59.8	2%	0.021	30%	0.297	C	S	.	.	H	α-helix	trans	-70.7	-46.5	176.6	-70.8	168.5	0	0	0	110.9	N141 R146 Q147 L165 E177 F178 L181 L189	N141-L143 VanDerWaalsContact C-N 3.25Å; N141-L143 PolarHBondContact O-N 3.38Å; L143-R146 PolarHBondContact O-N 3.02Å; L143-Q147 PolarHBondContact O-N 2.79Å; L143-L165 HydrophobicContact CD2-CD1 3.74Å; L143-L165 HydrophobicContact CD2-CD2 3.53Å; L143-L165 HydrophobicContact CD2-CG 4.27Å; L143-L165 HydrophobicContact CG-CD1 4.11Å; L143-E177 HydrophobicContact CB-CB 4.07Å; L143-E177 HydrophobicContact CD1-CB 4.1Å; L143-F178 VanDerWaalsContact CD1-CA 3.49Å; L143-F178 HydrophobicContact CD1-CB 3.66Å; L143-F178 HydrophobicContact CD1-CD2 4.17Å; L143-F178 HydrophobicContact CD1-CG 4.44Å; L143-L181 HydrophobicContact CD1-CD1 4.17Å; L143-L181 HydrophobicContact CD2-CD1 4.02Å; L143-L181 HydrophobicContact CD2-CD2 4.36Å; L143-L189 HydrophobicContact CD2-CD1 4.49Å
144	G	93.3	Very high	93.3	Very high	25 Å²	25	59.3 Å²	59.3	26%	0.258	30%	0.295	S	S	.	.	H	α-helix	trans	-60.1	-44.7	174	0	0	0	0	0	112.5	N141 Q147 F148 E177	N141-G144 PolarHBondContact O-N 2.92Å; G144-Q147 PolarHBondContact O-N 3.26Å; G144-F148 VanDerWaalsContact O-CB 3.23Å; G144-F148 WeakPolarHBondContact O-CB 3.35Å; G144-F148 PolarHBondContact O-N 3.27Å; G144-E177 PolarHBondContact N-OE2 3.26Å
145	V	94.9	Very high	93.2	Very high	14 Å²	14	61 Å²	61	9%	0.085	31%	0.31	C	S	.	.	H	α-helix	trans	-64.3	-41.5	176.3	176	0	0	0	0	111.3	L133 L137 N141 F148 A149 L157 A161	L133-V145 HydrophobicContact CB-CG1 4.34Å; L137-V145 HydrophobicContact CD2-CB 3.99Å; L137-V145 HydrophobicContact CD2-CG1 3.8Å; L137-V145 HydrophobicContact CD2-CG2 4.31Å; N141-V145 WeakPolarHBondContact O-CG2 3.35Å; N141-V145 PolarHBondContact O-N 3.06Å; V145-F148 PolarHBondContact O-N 2.89Å; V145-A149 VanDerWaalsContact O-CB 3.28Å; V145-A149 WeakPolarHBondContact O-CB 3.3Å; V145-A149 PolarHBondContact O-N 2.94Å; V145-L157 HydrophobicContact CG1-CD1 3.81Å; V145-L157 HydrophobicContact CG1-CD2 4.23Å; V145-L157 HydrophobicContact CG1-CG 4.09Å; V145-A161 HydrophobicContact CG1-CB 4.19Å
146	R	94.9	Very high	93	Very high	5 Å²	5	56.5 Å²	56.5	2%	0.019	30%	0.3	C	S	.	.	H	α-helix	trans	-59.6	-50.7	176.1	-173.4	-174.3	73.4	92.1	5.6	111.3	C142 L143 F148 A149 E150 Y158 A161 E185	C142-R146 VanDerWaalsContact O-CB 3.22Å; C142-R146 WeakPolarHBondContact O-CB 3.4Å; C142-R146 PolarHBondContact O-N 3.4Å; L143-R146 PolarHBondContact O-N 3.02Å; R146-F148 VanDerWaalsContact C-N 3.32Å; R146-F148 PolarHBondContact O-N 3.3Å; R146-A149 PolarHBondContact O-N 3.42Å; R146-E150 PolarHBondContact O-N 3.3Å; R146-Y158 HydrophobicContact CG-CD2 3.73Å; R146-Y158 HydrophobicContact CG-CE2 3.5Å; R146-Y158 VanDerWaalsContact CG-CE2 3.5Å; R146-Y158 PolarHBondContact NH1-OH 3.01Å; R146-Y158 VanDerWaalsContact NH1-OH 3.14Å; R146-Y158 WeakPolarHBondContact O-CD2 3.31Å; R146-A161 HydrophobicContact CB-CB 3.88Å; R146-A161 HydrophobicContact CG-CB 4.49Å; R146-E185 IonicContact NH2-OE1 3.71Å; R146-E185 PolarHBondContact NH2-OE1 3.23Å; R146-E185 VanDerWaalsContact NH2-OE1 3.16Å
147	Q	92.4	Very high	93	Very high	91 Å²	91	50.3 Å²	50.3	43%	0.425	28%	0.276	S	S	.	.	H	α-helix	trans	-63.1	-40.1	179.1	-172.4	178.2	42.4	0	0	111.8	L143 G144 E150 A151	L143-Q147 PolarHBondContact O-N 2.79Å; G144-Q147 PolarHBondContact O-N 3.26Å; Q147-E150 PolarHBondContact O-N 3.16Å; Q147-A151 PolarHBondContact O-N 2.65Å
148	F	92.7	Very high	93	Very high	30 Å²	30	51.1 Å²	51.1	13%	0.132	28%	0.278	C	S	.	.	H	α-helix	trans	-65.4	-41.7	176.9	-175.8	-117.6	0	0	0	112.2	Q111 L114 I115 L133 G144 V145 R146 A151 M152	Q111-F148 HydrophobicContact CB-CE1 4.27Å; Q111-F148 HydrophobicContact CB-CE2 4.37Å; Q111-F148 HydrophobicContact CB-CZ 3.86Å; Q111-F148 HydrophobicContact CG-CD1 4.5Å; Q111-F148 HydrophobicContact CG-CE1 3.99Å; Q111-F148 HydrophobicContact CG-CE2 4.47Å; Q111-F148 HydrophobicContact CG-CZ 4Å; L114-F148 HydrophobicContact CB-CE1 4.16Å; L114-F148 HydrophobicContact CB-CZ 4.21Å; L114-F148 HydrophobicContact CD2-CD1 4.03Å; L114-F148 HydrophobicContact CD2-CE1 3.31Å; L114-F148 HydrophobicContact CD2-CZ 3.92Å; L114-F148 HydrophobicContact CG-CE1 4.27Å; I115-F148 HydrophobicContact CD1-CE2 4.12Å; I115-F148 HydrophobicContact CD1-CZ 4.4Å; I115-F148 HydrophobicContact CG1-CE2 4.09Å; I115-F148 HydrophobicContact CG1-CZ 4.11Å; L133-F148 HydrophobicContact CD1-CD1 4.22Å; L133-F148 HydrophobicContact CD1-CE1 4.25Å; G144-F148 VanDerWaalsContact O-CB 3.23Å; G144-F148 WeakPolarHBondContact O-CB 3.35Å; G144-F148 PolarHBondContact O-N 3.27Å; V145-F148 PolarHBondContact O-N 2.89Å; R146-F148 VanDerWaalsContact C-N 3.32Å; R146-F148 PolarHBondContact O-N 3.3Å; F148-A151 PolarHBondContact O-N 3.27Å; F148-M152 HydrophobicContact CD2-CG 4.37Å; F148-M152 HydrophobicContact CE1-CG 4.43Å; F148-M152 HydrophobicContact CE2-CG 4Å; F148-M152 HydrophobicContact CZ-CG 4.03Å; F148-M152 WeakPolarHBondContact O-CG 3.39Å; F148-M152 PolarHBondContact O-N 3.4Å
149	A	94.9	Very high	92.8	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-63.7	-40.6	176.5	0	0	0	0	0	112.2	V145 R146 M152 M153 C154 L157	V145-A149 VanDerWaalsContact O-CB 3.28Å; V145-A149 WeakPolarHBondContact O-CB 3.3Å; V145-A149 PolarHBondContact O-N 2.94Å; R146-A149 PolarHBondContact O-N 3.42Å; A149-M152 PolarHBondContact O-N 3.26Å; A149-M153 PolarHBondContact O-N 2.82Å; A149-M153 VanDerWaalsContact O-N 3.08Å; A149-C154 HydrophobicContact CB-CB 4.35Å; A149-C154 PolarHBondContact O-N 2.79Å; A149-L157 HydrophobicContact CB-CB 3.93Å; A149-L157 HydrophobicContact CB-CD2 3.75Å; A149-L157 HydrophobicContact CB-CG 3.66Å
150	E	92.3	Very high	92.7	Very high	100 Å²	100	52.4 Å²	52.4	47%	0.467	29%	0.292	S	S	.	.	H	α-helix	trans	-60	-49.7	173.6	-173.1	179.7	-160.9	0	0	111	R146 Q147 M152 M153 Y158	R146-E150 PolarHBondContact O-N 3.3Å; Q147-E150 PolarHBondContact O-N 3.16Å; E150-M152 VanDerWaalsContact C-N 3.26Å; E150-M152 PolarHBondContact O-N 2.87Å; E150-M153 PolarHBondContact O-N 3.11Å; E150-Y158 HydrophobicContact CB-CD2 3.83Å; E150-Y158 HydrophobicContact CB-CE2 4Å; E150-Y158 HydrophobicContact CG-CE2 4.4Å
151	A	90.8	Very high	92.8	Very high	68 Å²	68	45.4 Å²	45.4	56%	0.562	26%	0.262	S	S	*	.	H	α-helix	trans	-60.5	-34.6	179.4	0	0	0	0	0	113	Q147 F148 M153	Q147-A151 PolarHBondContact O-N 2.65Å; F148-A151 PolarHBondContact O-N 3.27Å; A151-M153 VanDerWaalsContact C-N 3.34Å
152	M	89.4	Confident	92.7	Very high	43 Å²	43	44.5 Å²	44.5	21%	0.212	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	2.7	178.7	-63.7	-62.9	102.1	0	0	113.9	L114 I115 K126 F148 A149 E150 C154	L114-M152 HydrophobicContact CD2-CB 4.34Å; L114-M152 HydrophobicContact CD2-CG 4.13Å; I115-M152 HydrophobicContact CB-SD 4.41Å; I115-M152 HydrophobicContact CG1-CE 4.3Å; I115-M152 HydrophobicContact CG1-SD 3.72Å; K126-M152 PolarHBondContact NZ-O 3.19Å; F148-M152 HydrophobicContact CD2-CG 4.37Å; F148-M152 HydrophobicContact CE1-CG 4.43Å; F148-M152 HydrophobicContact CE2-CG 4Å; F148-M152 HydrophobicContact CZ-CG 4.03Å; F148-M152 WeakPolarHBondContact O-CG 3.39Å; F148-M152 PolarHBondContact O-N 3.4Å; A149-M152 PolarHBondContact O-N 3.26Å; E150-M152 VanDerWaalsContact C-N 3.26Å; E150-M152 PolarHBondContact O-N 2.87Å; M152-C154 PolarHBondContact O-N 2.87Å
153	M	91.1	Very high	92.4	Very high	163 Å²	163	45 Å²	45	80%	0.803	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	36.3	-175.1	-49.8	-176.8	92.2	0	0	112.6	A149 E150 A151 T155	A149-M153 PolarHBondContact O-N 2.82Å; A149-M153 VanDerWaalsContact O-N 3.08Å; E150-M153 PolarHBondContact O-N 3.11Å; A151-M153 VanDerWaalsContact C-N 3.34Å; M153-T155 PolarHBondContact O-N 2.99Å
154	C	92.5	Very high	92.3	Very high	10 Å²	10	46.6 Å²	46.6	7%	0.068	27%	0.269	C	S	.	.			trans	-90.8	80.6	176.4	-67.3	0	0	0	0	109.7	K126 C130 A149 M152 A156 L157 Y158	K126-C154 WeakPolarHBondContact CE-SG 3.39Å; C130-C154 VanDerWaalsContact SG-SG 3.65Å; A149-C154 HydrophobicContact CB-CB 4.35Å; A149-C154 PolarHBondContact O-N 2.79Å; M152-C154 PolarHBondContact O-N 2.87Å; C154-A156 PolarHBondContact O-N 3.37Å; C154-L157 HydrophobicContact CB-CB 4.01Å; C154-L157 PolarHBondContact O-N 2.88Å; C154-Y158 WeakPolarHBondContact O-CB 3.35Å; C154-Y158 PolarHBondContact O-N 3.45Å
155	T	92.1	Very high	92.3	Very high	103 Å²	103	45.4 Å²	45.4	63%	0.632	26%	0.257	S	S	*	.	H	α-helix	trans	-56.2	-46.7	-174.9	53.2	0	0	0	0	113.1	M153 L157 Y158 D159	M153-T155 PolarHBondContact O-N 2.99Å; T155-L157 VanDerWaalsContact C-N 3.33Å; T155-L157 PolarHBondContact O-N 3.27Å; T155-Y158 WeakPolarHBondContact O-CB 3.5Å; T155-Y158 PolarHBondContact O-N 3.25Å; T155-Y158 VanDerWaalsContact O-N 3.13Å; T155-D159 VanDerWaalsContact O-CG 3.26Å; T155-D159 PolarHBondContact O-N 3.3Å
156	A	90.6	Very high	92	Very high	64 Å²	64	45.7 Å²	45.7	53%	0.529	26%	0.257	S	S	.	.	H	α-helix	trans	-62.2	-37.1	179.7	0	0	0	0	0	113.5	Q134 C154 A160	Q134-A156 PolarHBondContact NE2-O 3.42Å; C154-A156 PolarHBondContact O-N 3.37Å; A156-A160 VanDerWaalsContact O-CB 3.32Å; A156-A160 WeakPolarHBondContact O-CB 3.42Å; A156-A160 PolarHBondContact O-N 3.28Å; A156-A160 VanDerWaalsContact O-N 3.16Å
157	L	94.7	Very high	91.5	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-72	-39.8	175	177.5	64.8	0	0	0	110.8	C130 L133 Q134 V145 A149 C154 T155 A160 A161	C130-L157 HydrophobicContact CB-CB 4.4Å; L133-L157 HydrophobicContact CB-CD1 3.81Å; L133-L157 HydrophobicContact CB-CD2 4.26Å; L133-L157 HydrophobicContact CD1-CD2 3.74Å; Q134-L157 HydrophobicContact CB-CD1 4.49Å; Q134-L157 HydrophobicContact CG-CD1 3.49Å; Q134-L157 VanDerWaalsContact CG-CD1 3.49Å; V145-L157 HydrophobicContact CG1-CD1 3.81Å; V145-L157 HydrophobicContact CG1-CD2 4.23Å; V145-L157 HydrophobicContact CG1-CG 4.09Å; A149-L157 HydrophobicContact CB-CB 3.93Å; A149-L157 HydrophobicContact CB-CD2 3.75Å; A149-L157 HydrophobicContact CB-CG 3.66Å; C154-L157 HydrophobicContact CB-CB 4.01Å; C154-L157 PolarHBondContact O-N 2.88Å; T155-L157 VanDerWaalsContact C-N 3.33Å; T155-L157 PolarHBondContact O-N 3.27Å; L157-A160 PolarHBondContact O-N 2.91Å; L157-A161 WeakPolarHBondContact O-CB 3.26Å; L157-A161 PolarHBondContact O-N 3.09Å
158	Y	94.6	Very high	91.4	Very high	45 Å²	45	49.2 Å²	49.2	18%	0.176	27%	0.269	C	S	.	.	H	α-helix	trans	-60.1	-50.7	176.1	178.4	-90.3	0	0	0	111.2	R146 E150 C154 T155 A160 A161 N162	R146-Y158 HydrophobicContact CG-CD2 3.73Å; R146-Y158 HydrophobicContact CG-CE2 3.5Å; R146-Y158 VanDerWaalsContact CG-CE2 3.5Å; R146-Y158 PolarHBondContact NH1-OH 3.01Å; R146-Y158 VanDerWaalsContact NH1-OH 3.14Å; R146-Y158 WeakPolarHBondContact O-CD2 3.31Å; E150-Y158 HydrophobicContact CB-CD2 3.83Å; E150-Y158 HydrophobicContact CB-CE2 4Å; E150-Y158 HydrophobicContact CG-CE2 4.4Å; C154-Y158 WeakPolarHBondContact O-CB 3.35Å; C154-Y158 PolarHBondContact O-N 3.45Å; T155-Y158 WeakPolarHBondContact O-CB 3.5Å; T155-Y158 PolarHBondContact O-N 3.25Å; T155-Y158 VanDerWaalsContact O-N 3.13Å; Y158-A160 VanDerWaalsContact C-N 3.32Å; Y158-A160 PolarHBondContact O-N 2.96Å; Y158-A161 PolarHBondContact O-N 3.46Å; Y158-N162 HydrophobicContact CE1-CB 4.36Å; Y158-N162 VanDerWaalsContact O-CB 3.23Å; Y158-N162 WeakPolarHBondContact O-CB 3.42Å; Y158-N162 PolarHBondContact O-N 2.86Å
159	D	90.1	Very high	91.4	Very high	99 Å²	99	47.9 Å²	47.9	53%	0.529	26%	0.263	S	S	.	.	H	α-helix	trans	-62.4	-40.7	-179.7	-66.2	-28.7	0	0	0	111.3	T155 G163	T155-D159 VanDerWaalsContact O-CG 3.26Å; T155-D159 PolarHBondContact O-N 3.3Å; D159-G163 PolarHBondContact O-N 2.86Å
160	A	90.3	Very high	91.3	Very high	36 Å²	36	50.3 Å²	50.3	30%	0.298	28%	0.278	S	S	.	.	H	α-helix	trans	-63.4	-46.9	174.9	0	0	0	0	0	112.2	Q134 L137 A156 L157 Y158 F164	Q134-A160 HydrophobicContact CG-CB 3.99Å; L137-A160 HydrophobicContact CD1-CB 4.48Å; A156-A160 VanDerWaalsContact O-CB 3.32Å; A156-A160 WeakPolarHBondContact O-CB 3.42Å; A156-A160 PolarHBondContact O-N 3.28Å; A156-A160 VanDerWaalsContact O-N 3.16Å; L157-A160 PolarHBondContact O-N 2.91Å; Y158-A160 VanDerWaalsContact C-N 3.32Å; Y158-A160 PolarHBondContact O-N 2.96Å; A160-F164 WeakPolarHBondContact O-CB 3.43Å; A160-F164 PolarHBondContact O-N 2.88Å
161	A	94.5	Very high	91.3	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-66.5	-39.4	178.7	0	0	0	0	0	112	L137 V145 R146 L157 Y158 F164 L165	L137-A161 HydrophobicContact CD2-CB 4.04Å; V145-A161 HydrophobicContact CG1-CB 4.19Å; R146-A161 HydrophobicContact CB-CB 3.88Å; R146-A161 HydrophobicContact CG-CB 4.49Å; L157-A161 WeakPolarHBondContact O-CB 3.26Å; L157-A161 PolarHBondContact O-N 3.09Å; Y158-A161 PolarHBondContact O-N 3.46Å; A161-F164 PolarHBondContact O-N 3.26Å; A161-L165 WeakPolarHBondContact O-CB 3.41Å; A161-L165 PolarHBondContact O-N 2.95Å
162	N	91.7	Very high	91.5	Very high	34 Å²	34	46.8 Å²	46.8	18%	0.182	25%	0.25	C	C	.	.	H	α-helix	trans	-67.6	-44.9	177.2	-169.5	49.2	0	0	0	111.6	Y158 F164 L165 Q166	Y158-N162 HydrophobicContact CE1-CB 4.36Å; Y158-N162 VanDerWaalsContact O-CB 3.23Å; Y158-N162 WeakPolarHBondContact O-CB 3.42Å; Y158-N162 PolarHBondContact O-N 2.86Å; N162-F164 VanDerWaalsContact C-N 3.29Å; N162-F164 PolarHBondContact O-N 3.3Å; N162-L165 WeakPolarHBondContact O-CB 3.3Å; N162-L165 PolarHBondContact O-N 3.27Å; N162-Q166 PolarHBondContact ND2-NE2 3.21Å; N162-Q166 VanDerWaalsContact O-CG 3.3Å; N162-Q166 WeakPolarHBondContact O-CG 3.46Å; N162-Q166 PolarHBondContact O-N 2.99Å
163	G	88.9	Confident	91.8	Very high	10 Å²	10	45.2 Å²	45.2	10%	0.103	24%	0.243	C	C	.	.	H	α-helix	trans	-62.2	-36.9	173.8	0	0	0	0	0	112.6	D159 R167	D159-G163 PolarHBondContact O-N 2.86Å; G163-R167 WeakPolarHBondContact O-CG 3.44Å; G163-R167 PolarHBondContact O-N 3.48Å
164	F	91.4	Very high	91.9	Very high	39 Å²	39	44.5 Å²	44.5	17%	0.171	24%	0.242	C	C	.	.	H	α-helix	trans	-65.2	-47.7	173.2	-172.4	-81	0	0	0	111.8	L137 P139 C142 A160 A161 N162 Q166 R167 H168	L137-F164 HydrophobicContact CB-CD1 4.35Å; L137-F164 HydrophobicContact CB-CD2 3.86Å; L137-F164 HydrophobicContact CB-CE2 4.09Å; L137-F164 HydrophobicContact CB-CG 4.01Å; L137-F164 HydrophobicContact CB-CZ 4.46Å; L137-F164 HydrophobicContact CD1-CB 3.98Å; L137-F164 HydrophobicContact CD1-CD2 4.39Å; L137-F164 HydrophobicContact CD1-CG 4.27Å; P139-F164 HydrophobicContact CG-CE1 4.13Å; P139-F164 HydrophobicContact CG-CZ 4.39Å; C142-F164 HydrophobicContact CB-CD1 3.77Å; C142-F164 HydrophobicContact CB-CE1 4.3Å; A160-F164 WeakPolarHBondContact O-CB 3.43Å; A160-F164 PolarHBondContact O-N 2.88Å; A161-F164 PolarHBondContact O-N 3.26Å; N162-F164 VanDerWaalsContact C-N 3.29Å; N162-F164 PolarHBondContact O-N 3.3Å; F164-Q166 VanDerWaalsContact C-N 3.3Å; F164-Q166 PolarHBondContact O-N 3.31Å; F164-R167 PolarHBondContact O-N 3.14Å; F164-R167 VanDerWaalsContact O-N 3.16Å; F164-H168 AromaticContact CD1-CD2 3.99Å; F164-H168 HydrophobicContact CE1-CB 4.11Å; F164-H168 AromaticContact CE1-CD2 3.65Å; F164-H168 AromaticContact CE2-CD2 3.74Å; F164-H168 AromaticContact CE2-NE2 3.93Å; F164-H168 AromaticContact CZ-CD2 3.52Å; F164-H168 AromaticContact CZ-NE2 3.95Å; F164-H168 PolarHBondContact O-CD2 2.69Å; F164-H168 PolarHBondContact O-N 3.38Å
165	L	92.6	Very high	92	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-56.1	-44.6	176.3	172.2	64.7	0	0	0	111.6	L143 A161 N162 R167 H168 F169 A172 L189	L143-L165 HydrophobicContact CD2-CD1 3.74Å; L143-L165 HydrophobicContact CD2-CD2 3.53Å; L143-L165 HydrophobicContact CD2-CG 4.27Å; L143-L165 HydrophobicContact CG-CD1 4.11Å; A161-L165 WeakPolarHBondContact O-CB 3.41Å; A161-L165 PolarHBondContact O-N 2.95Å; N162-L165 WeakPolarHBondContact O-CB 3.3Å; N162-L165 PolarHBondContact O-N 3.27Å; L165-R167 VanDerWaalsContact C-N 3.32Å; L165-R167 PolarHBondContact O-N 3.44Å; L165-H168 CarbonylContact O-C 3.58Å; L165-H168 PolarHBondContact O-N 3.18Å; L165-F169 WeakPolarHBondContact O-CA 3.27Å; L165-F169 WeakPolarHBondContact O-CB 3.32Å; L165-F169 PolarHBondContact O-N 3Å; L165-A172 HydrophobicContact CD1-CB 3.58Å; L165-L189 HydrophobicContact CD2-CD1 4.33Å; L165-L189 HydrophobicContact CD2-CD2 3.66Å; L165-L189 HydrophobicContact CG-CD2 4.49Å
166	Q	89.3	Confident	92	Very high	20 Å²	20	47.9 Å²	47.9	9%	0.093	25%	0.251	C	S	.	.	H	α-helix	trans	-60.4	-40.5	178.2	-74.1	170.7	-3.3	0	0	112.3	N162 F164 E194 N196	N162-Q166 PolarHBondContact ND2-NE2 3.21Å; N162-Q166 VanDerWaalsContact O-CG 3.3Å; N162-Q166 WeakPolarHBondContact O-CG 3.46Å; N162-Q166 PolarHBondContact O-N 2.99Å; F164-Q166 VanDerWaalsContact C-N 3.3Å; F164-Q166 PolarHBondContact O-N 3.31Å; Q166-E194 HydrophobicContact CG-CB 4.19Å; Q166-N196 VanDerWaalsContact O-CB 3.23Å; Q166-N196 WeakPolarHBondContact O-CB 3.46Å; Q166-N196 PolarHBondContact O-N 3Å
167	R	85.7	Confident	92.1	Very high	115 Å²	115	48 Å²	48	43%	0.434	24%	0.241	S	C	.	.	H	α-helix	trans	-70.9	-36.6	178.5	-67.8	171.6	-156.5	-178.8	-2.1	113.3	G163 F164 L165 N196 S287 V288	G163-R167 WeakPolarHBondContact O-CG 3.44Å; G163-R167 PolarHBondContact O-N 3.48Å; F164-R167 PolarHBondContact O-N 3.14Å; F164-R167 VanDerWaalsContact O-N 3.16Å; L165-R167 VanDerWaalsContact C-N 3.32Å; L165-R167 PolarHBondContact O-N 3.44Å; R167-N196 WeakPolarHBondContact O-CB 3.28Å; R167-N196 PolarHBondContact O-ND2 3.09Å; R167-S287 PolarHBondContact NE-O 3.13Å; R167-V288 HydrophobicContact CG-CG2 4.45Å
168	H	89.4	Confident	92.2	Very high	55 Å²	55	48 Å²	48	26%	0.255	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111	26.4	-174.9	-65	-80.7	0	0	0	112.8	P139 F164 L165 V170 E171 A172	P139-H168 HydrophobicContact CG-CB 4.1Å; F164-H168 AromaticContact CD1-CD2 3.99Å; F164-H168 HydrophobicContact CE1-CB 4.11Å; F164-H168 AromaticContact CE1-CD2 3.65Å; F164-H168 AromaticContact CE2-CD2 3.74Å; F164-H168 AromaticContact CE2-NE2 3.93Å; F164-H168 AromaticContact CZ-CD2 3.52Å; F164-H168 AromaticContact CZ-NE2 3.95Å; F164-H168 PolarHBondContact O-CD2 2.69Å; F164-H168 PolarHBondContact O-N 3.38Å; L165-H168 CarbonylContact O-C 3.58Å; L165-H168 PolarHBondContact O-N 3.18Å; H168-V170 VanDerWaalsContact C-N 3.29Å; H168-V170 PolarHBondContact O-N 3.21Å; H168-E171 IonicContact ND1-OE1 3.01Å; H168-E171 PolarHBondContact ND1-OE1 2.86Å; H168-E171 VanDerWaalsContact ND1-OE1 3.11Å; H168-E171 PolarHBondContact O-N 2.86Å; H168-E171 VanDerWaalsContact O-N 3.11Å; H168-A172 WeakPolarHBondContact O-CB 3.42Å; H168-A172 PolarHBondContact O-N 3.08Å
169	F	93.1	Very high	92.2	Very high	1 Å²	1	47.5 Å²	47.5	0%	0.004	24%	0.241	C	C	.	.	H	α-helix	trans	-55.1	-43.8	-171.9	169.3	-101.9	0	0	0	112.5	L165 E171 A172 A173 F178 M190 L195 V197 V203 A206	L165-F169 WeakPolarHBondContact O-CA 3.27Å; L165-F169 WeakPolarHBondContact O-CB 3.32Å; L165-F169 PolarHBondContact O-N 3Å; F169-E171 VanDerWaalsContact C-N 3.31Å; F169-E171 PolarHBondContact O-N 3.28Å; F169-A172 PolarHBondContact O-N 2.86Å; F169-A173 HydrophobicContact CE2-CB 4.37Å; F169-A173 HydrophobicContact CZ-CB 4.24Å; F169-A173 WeakPolarHBondContact O-CB 3.23Å; F169-A173 PolarHBondContact O-N 2.73Å; F169-F178 HydrophobicContact CE2-CE2 4.17Å; F169-M190 HydrophobicContact CE2-CE 3.82Å; F169-M190 HydrophobicContact CZ-CE 3.63Å; F169-L195 HydrophobicContact CB-CD2 4.12Å; F169-L195 HydrophobicContact CD1-CD1 4.07Å; F169-L195 HydrophobicContact CD2-CD1 4.09Å; F169-L195 HydrophobicContact CD2-CD2 3.78Å; F169-L195 HydrophobicContact CE1-CD1 4.01Å; F169-L195 HydrophobicContact CE2-CD1 4.03Å; F169-L195 HydrophobicContact CE2-CD2 4.41Å; F169-L195 HydrophobicContact CG-CB 4.48Å; F169-L195 HydrophobicContact CG-CD1 4.11Å; F169-L195 HydrophobicContact CG-CD2 3.9Å; F169-L195 HydrophobicContact CG-CG 4.4Å; F169-L195 HydrophobicContact CZ-CD1 3.99Å; F169-V197 HydrophobicContact CD1-CG1 3.73Å; F169-V197 HydrophobicContact CE1-CG1 4.22Å; F169-V203 HydrophobicContact CE1-CG2 4.23Å; F169-A206 HydrophobicContact CE1-CB 4.18Å; F169-A206 HydrophobicContact CZ-CB 3.83Å
170	V	91.9	Very high	92.4	Very high	52 Å²	52	46.3 Å²	46.3	32%	0.315	25%	0.245	S	C	.	.	H	α-helix	trans	-59.5	-42.3	-178.5	-178.8	0	0	0	0	111.5	H168 L174 V197 Q202	H168-V170 VanDerWaalsContact C-N 3.29Å; H168-V170 PolarHBondContact O-N 3.21Å; V170-L174 WeakPolarHBondContact O-CG 3.38Å; V170-V197 HydrophobicContact CG2-CG1 4.06Å; V170-Q202 HydrophobicContact CG2-CB 4.39Å
171	E	93.7	Very high	92.6	Very high	94 Å²	94	45.2 Å²	45.2	44%	0.439	23%	0.234	S	C	.	.	H	α-helix	trans	-74.2	-41.4	178.2	-63.8	172.8	-108.1	0	0	111.6	P139 H168 F169 A173 L174	P139-E171 HydrophobicContact CB-CB 3.69Å; P139-E171 HydrophobicContact CG-CB 4.02Å; H168-E171 IonicContact ND1-OE1 3.01Å; H168-E171 PolarHBondContact ND1-OE1 2.86Å; H168-E171 VanDerWaalsContact ND1-OE1 3.11Å; H168-E171 PolarHBondContact O-N 2.86Å; H168-E171 VanDerWaalsContact O-N 3.11Å; F169-E171 VanDerWaalsContact C-N 3.31Å; F169-E171 PolarHBondContact O-N 3.28Å; E171-A173 VanDerWaalsContact C-N 3.31Å; E171-A173 PolarHBondContact O-N 3.18Å; E171-L174 WeakPolarHBondContact O-CB 3.38Å; E171-L174 PolarHBondContact O-N 3.43Å
172	A	94.2	Very high	92.5	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-65.1	-35	178.7	0	0	0	0	0	112.1	P139 L165 H168 F169 L174 S175 F178	P139-A172 WeakPolarHBondContact O-CA 3.23Å; L165-A172 HydrophobicContact CD1-CB 3.58Å; H168-A172 WeakPolarHBondContact O-CB 3.42Å; H168-A172 PolarHBondContact O-N 3.08Å; F169-A172 PolarHBondContact O-N 2.86Å; A172-L174 PolarHBondContact O-N 2.85Å; A172-S175 VanDerWaalsContact O-CB 3.26Å; A172-S175 WeakPolarHBondContact O-CB 3.06Å; A172-S175 PolarHBondContact O-N 3.14Å; A172-S175 PolarHBondContact O-OG 3.49Å; A172-F178 WeakPolarHBondContact O-CB 3.46Å
173	A	95.3	Very high	92.7	Very high	9 Å²	9	51.3 Å²	51.3	7%	0.074	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-19.1	177	0	0	0	0	0	113.5	F169 E171 S175 F178 A206	F169-A173 HydrophobicContact CE2-CB 4.37Å; F169-A173 HydrophobicContact CZ-CB 4.24Å; F169-A173 WeakPolarHBondContact O-CB 3.23Å; F169-A173 PolarHBondContact O-N 2.73Å; E171-A173 VanDerWaalsContact C-N 3.31Å; E171-A173 PolarHBondContact O-N 3.18Å; A173-S175 VanDerWaalsContact C-N 3.32Å; A173-F178 HydrophobicContact CB-CD1 4.33Å; A173-F178 HydrophobicContact CB-CE1 4.36Å; A173-F178 HydrophobicContact CB-CG 4.43Å; A173-F178 HydrophobicContact CB-CZ 4.49Å; A173-F178 VanDerWaalsContact O-CD1 3.31Å; A173-F178 WeakPolarHBondContact O-CD1 3.48Å; A173-A206 HydrophobicContact CB-CB 3.74Å
174	L	93.9	Very high	92.9	Very high	148 Å²	148	56.8 Å²	56.8	78%	0.775	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-7	174.8	-59.4	174.2	0	0	0	113.1	V170 E171 A172	V170-L174 WeakPolarHBondContact O-CG 3.38Å; E171-L174 WeakPolarHBondContact O-CB 3.38Å; E171-L174 PolarHBondContact O-N 3.43Å; A172-L174 PolarHBondContact O-N 2.85Å
175	S	94.4	Very high	93	Very high	12 Å²	12	55.4 Å²	55.4	8%	0.084	28%	0.276	C	S	.	.	S	Bend	trans	-79.6	153.8	-176.8	72.2	0	0	0	0	112.9	A172 A173 E177 F178 L179	A172-S175 VanDerWaalsContact O-CB 3.26Å; A172-S175 WeakPolarHBondContact O-CB 3.06Å; A172-S175 PolarHBondContact O-N 3.14Å; A172-S175 PolarHBondContact O-OG 3.49Å; A173-S175 VanDerWaalsContact C-N 3.32Å; S175-E177 PolarHBondContact O-N 2.77Å; S175-F178 PolarHBondContact O-N 2.92Å; S175-F178 PolarHBondContact OG-N 3.31Å; S175-F178 VanDerWaalsContact OG-N 3.16Å; S175-L179 PolarHBondContact O-N 3.24Å
176	E	91.8	Very high	93.1	Very high	173 Å²	173	55.4 Å²	55.4	81%	0.808	28%	0.276	S	S	*	.	H	α-helix	trans	-63.6	-30.8	170.4	-67	-174.1	172	0	0	111.9	F178 L179 A180	E176-F178 VanDerWaalsContact C-N 3.29Å; E176-F178 PolarHBondContact O-N 3.18Å; E176-L179 PolarHBondContact O-N 3.25Å; E176-A180 WeakPolarHBondContact O-CB 3.43Å; E176-A180 PolarHBondContact O-N 3.35Å
177	E	93.4	Very high	93.4	Very high	67 Å²	67	56 Å²	56	31%	0.313	28%	0.28	S	S	.	.	H	α-helix	trans	-59.3	-40.7	174.7	-65	-169	168.2	0	0	111.3	N141 L143 G144 S175 A180 L181	N141-E177 WeakPolarHBondContact CA-OE2 3.39Å; L143-E177 HydrophobicContact CB-CB 4.07Å; L143-E177 HydrophobicContact CD1-CB 4.1Å; G144-E177 PolarHBondContact N-OE2 3.26Å; S175-E177 PolarHBondContact O-N 2.77Å; E177-A180 PolarHBondContact O-N 3.39Å; E177-L181 PolarHBondContact O-N 3.28Å
178	F	95.9	Very high	93.7	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-64.1	-45.1	175.9	-178.2	-99.1	0	0	0	111.8	L143 F169 A172 A173 S175 E176 A180 L181 V186 L189 M190 A206 W210	L143-F178 VanDerWaalsContact CD1-CA 3.49Å; L143-F178 HydrophobicContact CD1-CB 3.66Å; L143-F178 HydrophobicContact CD1-CD2 4.17Å; L143-F178 HydrophobicContact CD1-CG 4.44Å; F169-F178 HydrophobicContact CE2-CE2 4.17Å; A172-F178 WeakPolarHBondContact O-CB 3.46Å; A173-F178 HydrophobicContact CB-CD1 4.33Å; A173-F178 HydrophobicContact CB-CE1 4.36Å; A173-F178 HydrophobicContact CB-CG 4.43Å; A173-F178 HydrophobicContact CB-CZ 4.49Å; A173-F178 VanDerWaalsContact O-CD1 3.31Å; A173-F178 WeakPolarHBondContact O-CD1 3.48Å; S175-F178 PolarHBondContact O-N 2.92Å; S175-F178 PolarHBondContact OG-N 3.31Å; S175-F178 VanDerWaalsContact OG-N 3.16Å; E176-F178 VanDerWaalsContact C-N 3.29Å; E176-F178 PolarHBondContact O-N 3.18Å; F178-A180 PolarHBondContact O-N 2.93Å; F178-L181 HydrophobicContact CD2-CD1 3.65Å; F178-L181 HydrophobicContact CE2-CD1 4.09Å; F178-L181 HydrophobicContact CG-CD1 4.37Å; F178-L181 WeakPolarHBondContact O-CB 3.28Å; F178-L181 WeakPolarHBondContact O-CG 3.31Å; F178-L181 PolarHBondContact O-N 3.41Å; F178-L181 VanDerWaalsContact O-N 3.13Å; F178-V186 HydrophobicContact CZ-CG1 4.36Å; F178-L189 HydrophobicContact CE2-CD1 4.22Å; F178-M190 HydrophobicContact CE2-CE 4.42Å; F178-M190 HydrophobicContact CZ-CE 4.17Å; F178-A206 HydrophobicContact CE1-CB 4.31Å; F178-A206 WeakPolarHBondContact CE1-O 3.47Å; F178-A206 HydrophobicContact CZ-CB 4.28Å; F178-W210 HydrophobicContact CE1-CB 3.93Å; F178-W210 VanDerWaalsContact O-CD1 3.28Å
179	L	94.6	Very high	93.8	Very high	33 Å²	33	53.4 Å²	53.4	17%	0.173	27%	0.272	C	S	.	.	H	α-helix	trans	-63.7	-24.9	178.1	-60.5	179.1	0	0	0	112.6	S175 E176 H213 R218	S175-L179 PolarHBondContact O-N 3.24Å; E176-L179 PolarHBondContact O-N 3.25Å; L179-H213 HydrophobicContact CB-CB 4.42Å; L179-H213 HydrophobicContact CD2-CB 4.19Å; L179-R218 PolarHBondContact O-NH1 2.93Å; L179-R218 PolarHBondContact O-NH2 3.41Å
180	A	93.7	Very high	93.9	Very high	75 Å²	75	53.3 Å²	53.3	62%	0.62	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-9.1	177.4	0	0	0	0	0	114.7	E176 E177 F178	E176-A180 WeakPolarHBondContact O-CB 3.43Å; E176-A180 PolarHBondContact O-N 3.35Å; E177-A180 PolarHBondContact O-N 3.39Å; F178-A180 PolarHBondContact O-N 2.93Å
181	L	94.4	Very high	93.7	Very high	12 Å²	12	51.8 Å²	51.8	6%	0.063	27%	0.267	C	S	.	.			trans	-60.4	150.7	-179.5	-69.1	176.2	0	0	0	113	L143 E177 F178 E185 V186 L189 W210	L143-L181 HydrophobicContact CD1-CD1 4.17Å; L143-L181 HydrophobicContact CD2-CD1 4.02Å; L143-L181 HydrophobicContact CD2-CD2 4.36Å; E177-L181 PolarHBondContact O-N 3.28Å; F178-L181 HydrophobicContact CD2-CD1 3.65Å; F178-L181 HydrophobicContact CE2-CD1 4.09Å; F178-L181 HydrophobicContact CG-CD1 4.37Å; F178-L181 WeakPolarHBondContact O-CB 3.28Å; F178-L181 WeakPolarHBondContact O-CG 3.31Å; F178-L181 PolarHBondContact O-N 3.41Å; F178-L181 VanDerWaalsContact O-N 3.13Å; L181-E185 HydrophobicContact CB-CB 4.46Å; L181-E185 HydrophobicContact CD2-CB 4.5Å; L181-V186 HydrophobicContact CB-CG2 3.65Å; L181-V186 HydrophobicContact CD1-CG2 4.1Å; L181-L189 HydrophobicContact CD1-CD1 3.82Å; L181-W210 WeakPolarHBondContact O-CZ2 3.39Å; L181-W210 PolarHBondContact O-NE1 2.9Å
182	R	94.1	Very high	93.4	Very high	140 Å²	140	48.4 Å²	48.4	53%	0.528	25%	0.253	S	S	.	.			trans	-73.3	158.8	172.9	-61.7	177.5	-70.7	166	-1.7	111.1	E184 E185 V186	R182-E184 VanDerWaalsContact C-N 3.28Å; R182-E184 WeakPolarHBondContact CB-OE2 3.44Å; R182-E184 PolarHBondContact O-N 3.31Å; R182-E185 HydrophobicContact CB-CG 4.38Å; R182-E185 WeakPolarHBondContact CB-OE2 3.25Å; R182-E185 WeakPolarHBondContact CG-OE2 3.4Å; R182-E185 IonicContact CZ-OE2 3.89Å; R182-E185 PolarHBondContact N-OE2 3.2Å; R182-E185 IonicContact NE-OE2 3.23Å; R182-E185 PolarHBondContact NE-OE2 3.26Å; R182-E185 IonicContact NH2-OE2 3.19Å; R182-E185 PolarHBondContact NH2-OE2 3.26Å; R182-E185 PolarHBondContact O-N 3.21Å; R182-V186 PolarHBondContact O-N 2.82Å
183	A	94.2	Very high	92.8	Very high	22 Å²	22	49.7 Å²	49.7	18%	0.182	26%	0.26	C	S	.	.	H	α-helix	trans	-57.7	-41.4	-176.8	0	0	0	0	0	112.6	E185 V186 L187 W210 L221	A183-E185 VanDerWaalsContact C-N 3.32Å; A183-E185 PolarHBondContact O-N 2.95Å; A183-V186 PolarHBondContact O-N 3.46Å; A183-L187 WeakPolarHBondContact O-CB 3.48Å; A183-L187 WeakPolarHBondContact O-CG 3.2Å; A183-L187 PolarHBondContact O-N 3.3Å; A183-W210 HydrophobicContact CB-CH2 4.01Å; A183-L221 HydrophobicContact CB-CD1 3.53Å
184	E	93.9	Very high	92.2	Very high	126 Å²	126	52.5 Å²	52.5	59%	0.589	27%	0.272	S	S	*	.	H	α-helix	trans	-63	-41.1	-179.1	-58.2	78.5	-168.1	0	0	111.3	R182 L187 E188	R182-E184 VanDerWaalsContact C-N 3.28Å; R182-E184 WeakPolarHBondContact CB-OE2 3.44Å; R182-E184 PolarHBondContact O-N 3.31Å; E184-L187 PolarHBondContact O-N 3.06Å; E184-E188 WeakPolarHBondContact O-CB 3.44Å; E184-E188 PolarHBondContact O-N 3.44Å
185	E	92.9	Very high	91.8	Very high	10 Å²	10	45.5 Å²	45.5	5%	0.047	24%	0.235	C	C	.	.	H	α-helix	trans	-68.9	-40.4	-178.7	-60.1	178.3	85.6	0	0	111.4	R146 L181 R182 A183 E188 L189	R146-E185 IonicContact NH2-OE1 3.71Å; R146-E185 PolarHBondContact NH2-OE1 3.23Å; R146-E185 VanDerWaalsContact NH2-OE1 3.16Å; L181-E185 HydrophobicContact CB-CB 4.46Å; L181-E185 HydrophobicContact CD2-CB 4.5Å; R182-E185 HydrophobicContact CB-CG 4.38Å; R182-E185 WeakPolarHBondContact CB-OE2 3.25Å; R182-E185 WeakPolarHBondContact CG-OE2 3.4Å; R182-E185 IonicContact CZ-OE2 3.89Å; R182-E185 PolarHBondContact N-OE2 3.2Å; R182-E185 IonicContact NE-OE2 3.23Å; R182-E185 PolarHBondContact NE-OE2 3.26Å; R182-E185 IonicContact NH2-OE2 3.19Å; R182-E185 PolarHBondContact NH2-OE2 3.26Å; R182-E185 PolarHBondContact O-N 3.21Å; A183-E185 VanDerWaalsContact C-N 3.32Å; A183-E185 PolarHBondContact O-N 2.95Å; E185-E188 PolarHBondContact O-N 3.33Å; E185-L189 WeakPolarHBondContact O-CG 3.42Å; E185-L189 PolarHBondContact O-N 3.03Å
186	V	95.4	Very high	91.4	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-69.7	-41	176.4	-177.6	0	0	0	0	110.9	F178 L181 R182 A183 E188 L189 M190 W210 L225	F178-V186 HydrophobicContact CZ-CG1 4.36Å; L181-V186 HydrophobicContact CB-CG2 3.65Å; L181-V186 HydrophobicContact CD1-CG2 4.1Å; R182-V186 PolarHBondContact O-N 2.82Å; A183-V186 PolarHBondContact O-N 3.46Å; V186-E188 VanDerWaalsContact C-N 3.3Å; V186-E188 PolarHBondContact O-N 3.03Å; V186-L189 PolarHBondContact O-N 2.82Å; V186-M190 HydrophobicContact CG1-CE 4.31Å; V186-M190 HydrophobicContact CG1-CG 4.17Å; V186-M190 VanDerWaalsContact O-CG 3.27Å; V186-M190 WeakPolarHBondContact O-CG 3.43Å; V186-M190 PolarHBondContact O-N 2.95Å; V186-W210 HydrophobicContact CB-CD2 4.42Å; V186-W210 HydrophobicContact CG1-CD2 4.26Å; V186-W210 HydrophobicContact CG1-CE3 4.42Å; V186-W210 HydrophobicContact CG1-CG 4.38Å; V186-W210 HydrophobicContact CG2-CD2 3.98Å; V186-W210 HydrophobicContact CG2-CG 4.08Å; V186-W210 HydrophobicContact CG2-CZ2 4.17Å; V186-L225 HydrophobicContact CB-CD2 4.4Å; V186-L225 HydrophobicContact CG1-CD2 3.72Å
187	L	94.6	Very high	90.9	Very high	32 Å²	32	39.4 Å²	39.4	17%	0.168	21%	0.208	C	C	.	.	H	α-helix	trans	-60.9	-39.5	175.6	-79.1	166	0	0	0	112.3	A183 E184 G191 E224 L225 K228	A183-L187 WeakPolarHBondContact O-CB 3.48Å; A183-L187 WeakPolarHBondContact O-CG 3.2Å; A183-L187 PolarHBondContact O-N 3.3Å; E184-L187 PolarHBondContact O-N 3.06Å; L187-G191 PolarHBondContact O-N 3.14Å; L187-E224 HydrophobicContact CD2-CB 3.85Å; L187-L225 HydrophobicContact CD2-CD2 3.76Å; L187-L225 HydrophobicContact CD2-CG 4.03Å; L187-L225 HydrophobicContact CG-CD2 4.03Å; L187-K228 HydrophobicContact CD2-CG 4.32Å
188	E	92.4	Very high	90.1	Very high	110 Å²	110	42.7 Å²	42.7	51%	0.514	22%	0.221	S	C	.	.	H	α-helix	trans	-61.5	-53.9	172.8	-174.2	-176.9	172	0	0	110.6	E184 E185 V186 M190 G191 C192	E184-E188 WeakPolarHBondContact O-CB 3.44Å; E184-E188 PolarHBondContact O-N 3.44Å; E185-E188 PolarHBondContact O-N 3.33Å; V186-E188 VanDerWaalsContact C-N 3.3Å; V186-E188 PolarHBondContact O-N 3.03Å; E188-M190 PolarHBondContact O-N 3.37Å; E188-G191 CarbonylContact O-C 3.59Å; E188-G191 WeakPolarHBondContact O-CA 3.43Å; E188-G191 PolarHBondContact O-N 3.4Å; E188-C192 PolarHBondContact O-N 3.19Å; E188-C192 PolarHBondContact O-SG 3.04Å
189	L	92.9	Very high	89.4	Confident	5 Å²	5	44.7 Å²	44.7	3%	0.026	24%	0.238	C	C	.	.	H	α-helix	trans	-58	-45.4	-179.8	-73.2	172.8	0	0	0	112.5	L143 L165 F178 L181 E185 V186 G191 C192 L195	L143-L189 HydrophobicContact CD2-CD1 4.49Å; L165-L189 HydrophobicContact CD2-CD1 4.33Å; L165-L189 HydrophobicContact CD2-CD2 3.66Å; L165-L189 HydrophobicContact CG-CD2 4.49Å; F178-L189 HydrophobicContact CE2-CD1 4.22Å; L181-L189 HydrophobicContact CD1-CD1 3.82Å; E185-L189 WeakPolarHBondContact O-CG 3.42Å; E185-L189 PolarHBondContact O-N 3.03Å; V186-L189 PolarHBondContact O-N 2.82Å; L189-G191 PolarHBondContact O-N 3.42Å; L189-C192 WeakPolarHBondContact O-CB 3.38Å; L189-C192 PolarHBondContact O-N 3.22Å; L189-L195 VanDerWaalsContact O-CD1 3.28Å; L189-L195 WeakPolarHBondContact O-CD1 3.48Å
190	M	93.8	Very high	89.1	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-62.3	-26.1	177.7	-64.1	-47.1	89.7	0	0	111.8	F169 F178 V186 E188 V203 A207 L225 K228 R283	F169-M190 HydrophobicContact CE2-CE 3.82Å; F169-M190 HydrophobicContact CZ-CE 3.63Å; F178-M190 HydrophobicContact CE2-CE 4.42Å; F178-M190 HydrophobicContact CZ-CE 4.17Å; V186-M190 HydrophobicContact CG1-CE 4.31Å; V186-M190 HydrophobicContact CG1-CG 4.17Å; V186-M190 VanDerWaalsContact O-CG 3.27Å; V186-M190 WeakPolarHBondContact O-CG 3.43Å; V186-M190 PolarHBondContact O-N 2.95Å; E188-M190 PolarHBondContact O-N 3.37Å; M190-V203 HydrophobicContact CE-CG1 4.36Å; M190-V203 HydrophobicContact SD-CG1 3.44Å; M190-V203 WeakPolarHBondContact SD-CG1 3.4Å; M190-A207 HydrophobicContact CG-CB 4.27Å; M190-A207 HydrophobicContact SD-CB 3.8Å; M190-L225 HydrophobicContact CG-CD2 3.9Å; M190-K228 HydrophobicContact CB-CB 3.87Å; M190-K228 VanDerWaalsContact O-O 3.13Å; M190-R283 VanDerWaalsContact O-CZ 3.3Å; M190-R283 PolarHBondContact O-NH1 3.12Å; M190-R283 PolarHBondContact O-NH2 3.16Å
191	G	88.8	Confident	89.1	Confident	20 Å²	20	41 Å²	41	21%	0.206	21%	0.207	C	C	.	.	H	α-helix	trans	-81.4	-14.5	175.4	0	0	0	0	0	114.9	L187 E188 L189 D193	L187-G191 PolarHBondContact O-N 3.14Å; E188-G191 CarbonylContact O-C 3.59Å; E188-G191 WeakPolarHBondContact O-CA 3.43Å; E188-G191 PolarHBondContact O-N 3.4Å; L189-G191 PolarHBondContact O-N 3.42Å; G191-D193 PolarHBondContact O-N 3.21Å
192	C	86.9	Confident	89.1	Confident	22 Å²	22	43.3 Å²	43.3	15%	0.149	22%	0.217	C	C	.	.			trans	-71	121.3	-172.1	-72.3	0	0	0	0	113.3	E188 L189 E194 L195 R283	E188-C192 PolarHBondContact O-N 3.19Å; E188-C192 PolarHBondContact O-SG 3.04Å; L189-C192 WeakPolarHBondContact O-CB 3.38Å; L189-C192 PolarHBondContact O-N 3.22Å; C192-E194 PolarHBondContact O-N 3.45Å; C192-L195 HydrophobicContact CB-CD2 4.2Å; C192-L195 HydrophobicContact CB-CG 4.04Å; C192-R283 PolarHBondContact O-NH1 3.14Å
193	D	82.1	Confident	89.1	Confident	27 Å²	27	36.6 Å²	36.6	14%	0.144	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-24.4	176.1	-86	49.1	0	0	0	112.4	G191 L195 R230 F278 R281 R283 C284	G191-D193 PolarHBondContact O-N 3.21Å; D193-L195 VanDerWaalsContact C-N 3.34Å; D193-L195 PolarHBondContact O-N 3Å; D193-R230 IonicContact OD1-CZ 2.79Å; D193-R230 IonicContact OD1-NH2 2.69Å; D193-R230 PolarHBondContact OD1-NH2 3.26Å; D193-R230 IonicContact OD2-CZ 3.46Å; D193-R230 IonicContact OD2-NH1 3.74Å; D193-R230 IonicContact OD2-NH2 3.3Å; D193-R230 PolarHBondContact OD2-NH2 2.93Å; D193-F278 WeakPolarHBondContact OD1-CE2 3.44Å; D193-R281 IonicContact OD2-CZ 3.96Å; D193-R281 IonicContact OD2-NE 2.82Å; D193-R281 IonicContact OD2-NH2 3.46Å; D193-R281 PolarHBondContact OD2-NH2 3.01Å; D193-R283 WeakPolarHBondContact O-CB 3.5Å; D193-C284 CarbonylContact O-C 3.57Å; D193-C284 PolarHBondContact O-N 2.8Å
194	E	82.2	Confident	89.2	Confident	69 Å²	69	35.7 Å²	35.7	32%	0.322	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	1.2	-171.4	-61.4	72.3	-160.1	0	0	113.9	Q166 C192 N196 C285	Q166-E194 HydrophobicContact CG-CB 4.19Å; C192-E194 PolarHBondContact O-N 3.45Å; E194-N196 PolarHBondContact O-N 3.2Å; E194-C285 VanDerWaalsContact O-CB 3.29Å; E194-C285 WeakPolarHBondContact O-CB 3.33Å; E194-C285 PolarHBondContact O-SG 3.48Å
195	L	86.4	Confident	89.4	Confident	1 Å²	1	32.7 Å²	32.7	1%	0.005	17%	0.17	C	C	.	.			trans	-65.2	128.5	177	-61	-174.5	0	0	0	111.3	F169 L189 C192 D193 V197 V203	F169-L195 HydrophobicContact CB-CD2 4.12Å; F169-L195 HydrophobicContact CD1-CD1 4.07Å; F169-L195 HydrophobicContact CD2-CD1 4.09Å; F169-L195 HydrophobicContact CD2-CD2 3.78Å; F169-L195 HydrophobicContact CE1-CD1 4.01Å; F169-L195 HydrophobicContact CE2-CD1 4.03Å; F169-L195 HydrophobicContact CE2-CD2 4.41Å; F169-L195 HydrophobicContact CG-CB 4.48Å; F169-L195 HydrophobicContact CG-CD1 4.11Å; F169-L195 HydrophobicContact CG-CD2 3.9Å; F169-L195 HydrophobicContact CG-CG 4.4Å; F169-L195 HydrophobicContact CZ-CD1 3.99Å; L189-L195 VanDerWaalsContact O-CD1 3.28Å; L189-L195 WeakPolarHBondContact O-CD1 3.48Å; C192-L195 HydrophobicContact CB-CD2 4.2Å; C192-L195 HydrophobicContact CB-CG 4.04Å; D193-L195 VanDerWaalsContact C-N 3.34Å; D193-L195 PolarHBondContact O-N 3Å; L195-V197 HydrophobicContact CB-CG1 4.49Å; L195-V197 PolarHBondContact O-N 3.33Å; L195-V203 HydrophobicContact CD1-CG2 4.35Å
196	N	84.6	Confident	89.5	Confident	30 Å²	30	32.6 Å²	32.6	16%	0.16	17%	0.171	C	C	.	.			trans	-82.4	95.3	174.5	-175.5	27.4	0	0	0	110.6	Q166 R167 E194 C285 V288	Q166-N196 VanDerWaalsContact O-CB 3.23Å; Q166-N196 WeakPolarHBondContact O-CB 3.46Å; Q166-N196 PolarHBondContact O-N 3Å; R167-N196 WeakPolarHBondContact O-CB 3.28Å; R167-N196 PolarHBondContact O-ND2 3.09Å; E194-N196 PolarHBondContact O-N 3.2Å; N196-C285 HydrophobicContact CB-CB 4Å; N196-V288 HydrophobicContact CB-CG2 4.11Å
197	V	82.5	Confident	89.6	Confident	27 Å²	27	32.7 Å²	32.7	16%	0.164	17%	0.171	C	C	.	.			trans	-130.4	145.3	177.1	-64.4	0	0	0	0	110.3	F169 V170 L195 Q202 V203 R283	F169-V197 HydrophobicContact CD1-CG1 3.73Å; F169-V197 HydrophobicContact CE1-CG1 4.22Å; V170-V197 HydrophobicContact CG2-CG1 4.06Å; L195-V197 HydrophobicContact CB-CG1 4.49Å; L195-V197 PolarHBondContact O-N 3.33Å; V197-Q202 HydrophobicContact CB-CB 4.4Å; V197-Q202 HydrophobicContact CG1-CB 4.26Å; V197-V203 HydrophobicContact CB-CG2 4.39Å; V197-V203 HydrophobicContact CG1-CG2 3.8Å; V197-V203 HydrophobicContact CG2-CG2 4.01Å; V197-R283 HydrophobicContact CG2-CB 4.41Å
198	K	75.7	Confident	89.7	Confident	136 Å²	136	31.2 Å²	31.2	59%	0.591	16%	0.164	S	C	*	.	S	Bend	trans	-73.5	-32.6	175	-59.9	-168.4	-175.1	-164.4	0	111.3
199	A	81.4	Confident	89.9	Confident	41 Å²	41	28.2 Å²	28.2	34%	0.339	16%	0.158	S	C	.	.	S	Bend	trans	-155.3	154.8	-179.1	0	0	0	0	0	110.6	E201 Q202	A199-E201 WeakPolarHBondContact CB-OE2 3.36Å; A199-E201 PolarHBondContact O-N 3.11Å; A199-Q202 PolarHBondContact O-N 3.02Å; A199-Q202 VanDerWaalsContact O-N 3.14Å
200	E	89	Confident	90.1	Very high	10 Å²	10	28.2 Å²	28.2	5%	0.047	16%	0.158	C	C	.	.	H	α-helix	trans	-65.8	-21.6	-175.6	-168.9	68.3	-172.1	0	0	112.3	Q202 V203 F204 I229 R230 L233 R283	E200-Q202 PolarHBondContact O-N 3.38Å; E200-V203 WeakPolarHBondContact O-CB 3.49Å; E200-V203 PolarHBondContact O-N 3.18Å; E200-F204 PolarHBondContact O-N 2.8Å; E200-I229 HydrophobicContact CG-CG2 3.83Å; E200-I229 WeakPolarHBondContact OE1-CG2 3.36Å; E200-R230 HydrophobicContact CG-CB 3.89Å; E200-R230 PolarHBondContact OE1-N 3.42Å; E200-L233 HydrophobicContact CB-CB 4.38Å; E200-R283 IonicContact OE1-CZ 3.16Å; E200-R283 IonicContact OE1-NE 3.7Å; E200-R283 PolarHBondContact OE1-NE 3.41Å; E200-R283 IonicContact OE1-NH2 3.75Å; E200-R283 PolarHBondContact OE1-NH2 3.45Å; E200-R283 IonicContact OE2-CZ 3.45Å; E200-R283 IonicContact OE2-NE 2.88Å; E200-R283 PolarHBondContact OE2-NE 2.95Å; E200-R283 IonicContact OE2-NH2 3.59Å
201	E	93.2	Very high	90.2	Very high	22 Å²	22	28.2 Å²	28.2	10%	0.103	16%	0.158	C	C	.	.	H	α-helix	trans	-52.6	-34.6	172	-67.9	86.1	165.4	0	0	112.6	A199 F204 E205 C234 Q235 F238	A199-E201 WeakPolarHBondContact CB-OE2 3.36Å; A199-E201 PolarHBondContact O-N 3.11Å; E201-F204 PolarHBondContact O-N 3.06Å; E201-E205 WeakPolarHBondContact O-CG 3.43Å; E201-E205 PolarHBondContact O-N 3.27Å; E201-C234 HydrophobicContact CG-CB 4.33Å; E201-C234 WeakPolarHBondContact OE1-CA 3.5Å; E201-Q235 PolarHBondContact OE1-N 3.05Å; E201-F238 HydrophobicContact CB-CD1 4.35Å; E201-F238 HydrophobicContact CB-CD2 4.31Å; E201-F238 HydrophobicContact CB-CE1 4.03Å; E201-F238 HydrophobicContact CB-CE2 3.99Å; E201-F238 HydrophobicContact CB-CG 4.47Å; E201-F238 HydrophobicContact CB-CZ 3.84Å; E201-F238 HydrophobicContact CG-CB 4.12Å; E201-F238 HydrophobicContact CG-CD1 3.45Å; E201-F238 VanDerWaalsContact CG-CD1 3.45Å; E201-F238 HydrophobicContact CG-CD2 3.66Å; E201-F238 HydrophobicContact CG-CE1 3.63Å; E201-F238 HydrophobicContact CG-CE2 3.84Å; E201-F238 HydrophobicContact CG-CG 3.45Å; E201-F238 VanDerWaalsContact CG-CG 3.45Å; E201-F238 HydrophobicContact CG-CZ 3.82Å
202	Q	93.2	Very high	90.5	Very high	59 Å²	59	31 Å²	31	28%	0.276	17%	0.165	S	C	.	.	H	α-helix	trans	-68.9	-35.8	178.6	-62	-177.4	-72.5	0	0	112	V170 V197 A199 E200 A206	V170-Q202 HydrophobicContact CG2-CB 4.39Å; V197-Q202 HydrophobicContact CB-CB 4.4Å; V197-Q202 HydrophobicContact CG1-CB 4.26Å; A199-Q202 PolarHBondContact O-N 3.02Å; A199-Q202 VanDerWaalsContact O-N 3.14Å; E200-Q202 PolarHBondContact O-N 3.38Å; Q202-A206 WeakPolarHBondContact O-CB 3.5Å; Q202-A206 PolarHBondContact O-N 3.41Å; Q202-A206 VanDerWaalsContact O-N 3.14Å
203	V	95.5	Very high	91	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-70.5	-40.6	175.5	-173	0	0	0	0	110.1	F169 M190 L195 V197 E200 A206 A207 I229	F169-V203 HydrophobicContact CE1-CG2 4.23Å; M190-V203 HydrophobicContact CE-CG1 4.36Å; M190-V203 HydrophobicContact SD-CG1 3.44Å; M190-V203 WeakPolarHBondContact SD-CG1 3.4Å; L195-V203 HydrophobicContact CD1-CG2 4.35Å; V197-V203 HydrophobicContact CB-CG2 4.39Å; V197-V203 HydrophobicContact CG1-CG2 3.8Å; V197-V203 HydrophobicContact CG2-CG2 4.01Å; E200-V203 WeakPolarHBondContact O-CB 3.49Å; E200-V203 PolarHBondContact O-N 3.18Å; V203-A206 PolarHBondContact O-N 2.96Å; V203-A207 PolarHBondContact O-N 3.21Å; V203-I229 HydrophobicContact CG1-CG1 4.12Å
204	F	96.6	Very high	91.6	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.009	19%	0.188	C	C	.	.	H	α-helix	trans	-59	-50.8	174.9	175.6	-88.6	0	0	0	112.2	E200 E201 A206 A207 L208 L226 I229 L231 F238 V243 I249	E200-F204 PolarHBondContact O-N 2.8Å; E201-F204 PolarHBondContact O-N 3.06Å; F204-A206 VanDerWaalsContact C-N 3.31Å; F204-A206 PolarHBondContact O-N 2.97Å; F204-A207 PolarHBondContact O-N 3.36Å; F204-L208 HydrophobicContact CE1-CB 4.44Å; F204-L208 HydrophobicContact CE1-CD2 3.67Å; F204-L208 HydrophobicContact CZ-CD2 3.92Å; F204-L208 WeakPolarHBondContact O-CB 3.33Å; F204-L208 PolarHBondContact O-N 2.97Å; F204-L226 HydrophobicContact CD2-CD2 3.8Å; F204-L226 HydrophobicContact CE2-CD2 3.59Å; F204-I229 HydrophobicContact CB-CG2 4.37Å; F204-L231 HydrophobicContact CD2-CD2 3.9Å; F204-L231 HydrophobicContact CE2-CD2 4.4Å; F204-F238 HydrophobicContact CB-CE1 4.39Å; F204-F238 AromaticContact CD1-CE1 3.7Å; F204-F238 HydrophobicContact CD1-CE1 3.7Å; F204-F238 AromaticContact CD1-CZ 3.67Å; F204-F238 HydrophobicContact CD1-CZ 3.67Å; F204-F238 HydrophobicContact CE1-CE1 4.22Å; F204-F238 HydrophobicContact CE1-CZ 4.2Å; F204-F238 HydrophobicContact CG-CE1 4.09Å; F204-F238 HydrophobicContact CG-CZ 4.42Å; F204-V243 HydrophobicContact CD1-CG2 4.27Å; F204-V243 HydrophobicContact CD2-CG2 4.3Å; F204-V243 HydrophobicContact CE1-CG2 3.86Å; F204-V243 HydrophobicContact CE2-CB 4.28Å; F204-V243 HydrophobicContact CE2-CG1 3.63Å; F204-V243 HydrophobicContact CE2-CG2 3.88Å; F204-V243 HydrophobicContact CG-CG2 4.48Å; F204-V243 HydrophobicContact CZ-CB 4Å; F204-V243 HydrophobicContact CZ-CG1 3.72Å; F204-V243 HydrophobicContact CZ-CG2 3.66Å; F204-I249 HydrophobicContact CE2-CD1 3.85Å; F204-I249 HydrophobicContact CZ-CD1 3.72Å
205	E	96.5	Very high	92.1	Very high	63 Å²	63	37.5 Å²	37.5	29%	0.294	19%	0.189	S	C	.	.	H	α-helix	trans	-64.6	-36.4	-179.5	-69.1	-69.1	173	0	0	111.6	E201 L208 A209 F238 R242	E201-E205 WeakPolarHBondContact O-CG 3.43Å; E201-E205 PolarHBondContact O-N 3.27Å; E205-L208 PolarHBondContact O-N 2.92Å; E205-A209 VanDerWaalsContact O-CB 3.3Å; E205-A209 WeakPolarHBondContact O-CB 3.34Å; E205-A209 PolarHBondContact O-N 3.03Å; E205-F238 HydrophobicContact CG-CZ 4.28Å; E205-R242 WeakPolarHBondContact OE1-CG 3.49Å; E205-R242 IonicContact OE1-CZ 2.85Å; E205-R242 IonicContact OE1-NE 3.01Å; E205-R242 PolarHBondContact OE1-NE 3.44Å; E205-R242 IonicContact OE1-NH2 3.75Å; E205-R242 PolarHBondContact OE1-NH2 3.19Å; E205-R242 IonicContact OE2-CZ 3.45Å; E205-R242 IonicContact OE2-NE 2.84Å; E205-R242 IonicContact OE2-NH2 2.79Å; E205-R242 PolarHBondContact OE2-NH2 3.08Å
206	A	96.7	Very high	92.4	Very high	8 Å²	8	43 Å²	43	7%	0.066	22%	0.218	C	C	.	.	H	α-helix	trans	-61.1	-49.4	173.6	0	0	0	0	0	112.1	F169 A173 F178 Q202 V203 F204 L208 A209 W210	F169-A206 HydrophobicContact CE1-CB 4.18Å; F169-A206 HydrophobicContact CZ-CB 3.83Å; A173-A206 HydrophobicContact CB-CB 3.74Å; F178-A206 HydrophobicContact CE1-CB 4.31Å; F178-A206 WeakPolarHBondContact CE1-O 3.47Å; F178-A206 HydrophobicContact CZ-CB 4.28Å; Q202-A206 WeakPolarHBondContact O-CB 3.5Å; Q202-A206 PolarHBondContact O-N 3.41Å; Q202-A206 VanDerWaalsContact O-N 3.14Å; V203-A206 PolarHBondContact O-N 2.96Å; F204-A206 VanDerWaalsContact C-N 3.31Å; F204-A206 PolarHBondContact O-N 2.97Å; A206-L208 VanDerWaalsContact C-N 3.32Å; A206-L208 PolarHBondContact O-N 2.85Å; A206-A209 PolarHBondContact O-N 2.99Å; A206-W210 PolarHBondContact O-N 2.78Å; A206-W210 VanDerWaalsContact O-N 3.08Å
207	A	96.9	Very high	92.8	Very high	2 Å²	2	50.5 Å²	50.5	2%	0.017	25%	0.245	C	C	.	.	H	α-helix	trans	-61.1	-42.4	177.6	0	0	0	0	0	111.9	M190 V203 F204 W210 V211 I229	M190-A207 HydrophobicContact CG-CB 4.27Å; M190-A207 HydrophobicContact SD-CB 3.8Å; V203-A207 PolarHBondContact O-N 3.21Å; F204-A207 PolarHBondContact O-N 3.36Å; A207-W210 PolarHBondContact O-N 2.72Å; A207-V211 WeakPolarHBondContact O-CG2 3.46Å; A207-V211 PolarHBondContact O-N 3.01Å; A207-I229 HydrophobicContact CB-CD1 3.71Å
208	L	96.1	Very high	93.4	Very high	2 Å²	2	50.6 Å²	50.6	1%	0.01	24%	0.242	C	C	.	.	H	α-helix	trans	-68.2	-39.8	-178.9	-168.6	61.8	0	0	0	111.6	F204 E205 A206 W210 V211 H212 L222	F204-L208 HydrophobicContact CE1-CB 4.44Å; F204-L208 HydrophobicContact CE1-CD2 3.67Å; F204-L208 HydrophobicContact CZ-CD2 3.92Å; F204-L208 WeakPolarHBondContact O-CB 3.33Å; F204-L208 PolarHBondContact O-N 2.97Å; E205-L208 PolarHBondContact O-N 2.92Å; A206-L208 VanDerWaalsContact C-N 3.32Å; A206-L208 PolarHBondContact O-N 2.85Å; L208-W210 VanDerWaalsContact C-N 3.34Å; L208-W210 PolarHBondContact O-N 2.77Å; L208-V211 PolarHBondContact O-N 3.06Å; L208-H212 PolarHBondContact O-CD2 3.39Å; L208-H212 PolarHBondContact O-N 2.92Å; L208-L222 HydrophobicContact CD1-CD1 4.42Å
209	A	96.5	Very high	94.2	Very high	47 Å²	47	48.6 Å²	48.6	39%	0.388	23%	0.233	S	C	.	.	H	α-helix	trans	-59.9	-42.5	172.7	0	0	0	0	0	111.9	E205 A206 H212 H213	E205-A209 VanDerWaalsContact O-CB 3.3Å; E205-A209 WeakPolarHBondContact O-CB 3.34Å; E205-A209 PolarHBondContact O-N 3.03Å; A206-A209 PolarHBondContact O-N 2.99Å; A209-H212 PolarHBondContact O-N 2.9Å; A209-H213 PolarHBondContact O-N 3.27Å; A209-H213 VanDerWaalsContact O-N 3.12Å
210	W	97.5	Very high	94.8	Very high	5 Å²	5	51.2 Å²	51.2	2%	0.019	25%	0.246	C	C	.	.	H	α-helix	trans	-63.4	-42.5	175.2	-177.9	90.1	0	0	0	112.3	F178 L181 A183 V186 A206 A207 L208 R218 L221 L225	F178-W210 HydrophobicContact CE1-CB 3.93Å; F178-W210 VanDerWaalsContact O-CD1 3.28Å; L181-W210 WeakPolarHBondContact O-CZ2 3.39Å; L181-W210 PolarHBondContact O-NE1 2.9Å; A183-W210 HydrophobicContact CB-CH2 4.01Å; V186-W210 HydrophobicContact CB-CD2 4.42Å; V186-W210 HydrophobicContact CG1-CD2 4.26Å; V186-W210 HydrophobicContact CG1-CE3 4.42Å; V186-W210 HydrophobicContact CG1-CG 4.38Å; V186-W210 HydrophobicContact CG2-CD2 3.98Å; V186-W210 HydrophobicContact CG2-CG 4.08Å; V186-W210 HydrophobicContact CG2-CZ2 4.17Å; A206-W210 PolarHBondContact O-N 2.78Å; A206-W210 VanDerWaalsContact O-N 3.08Å; A207-W210 PolarHBondContact O-N 2.72Å; L208-W210 VanDerWaalsContact C-N 3.34Å; L208-W210 PolarHBondContact O-N 2.77Å; W210-R218 VanDerWaalsContact CE2-CZ 3.48Å; W210-R218 HydrophobicContact CE3-CB 4.48Å; W210-R218 HydrophobicContact CE3-CG 4.4Å; W210-R218 HydrophobicContact CH2-CB 4.35Å; W210-R218 HydrophobicContact CH2-CG 3.76Å; W210-R218 HydrophobicContact CZ2-CG 4.28Å; W210-R218 HydrophobicContact CZ3-CB 3.95Å; W210-R218 HydrophobicContact CZ3-CG 3.83Å; W210-R218 WeakPolarHBondContact O-CD 3.34Å; W210-R218 PolarHBondContact O-NH1 3.36Å; W210-L221 HydrophobicContact CH2-CD1 3.81Å; W210-L221 HydrophobicContact CZ3-CD1 4.1Å; W210-L225 HydrophobicContact CE3-CD1 3.9Å; W210-L225 HydrophobicContact CZ3-CD1 3.89Å
211	V	96.7	Very high	95.1	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-63.6	-45.8	176.2	177.8	0	0	0	0	111.2	A207 L208 H213 D214 R215 R218 L222 L225 L248	A207-V211 WeakPolarHBondContact O-CG2 3.46Å; A207-V211 PolarHBondContact O-N 3.01Å; L208-V211 PolarHBondContact O-N 3.06Å; V211-H213 VanDerWaalsContact C-N 3.27Å; V211-H213 PolarHBondContact O-N 3.39Å; V211-D214 CarbonylContact O-C 3.54Å; V211-D214 VanDerWaalsContact O-C 3.28Å; V211-D214 PolarHBondContact O-N 3.03Å; V211-R215 WeakPolarHBondContact O-CA 3.47Å; V211-R215 PolarHBondContact O-N 2.9Å; V211-R218 HydrophobicContact CG1-CB 4.18Å; V211-L222 HydrophobicContact CG2-CB 4.48Å; V211-L222 HydrophobicContact CG2-CD1 3.98Å; V211-L225 HydrophobicContact CG2-CD1 3.56Å; V211-L248 HydrophobicContact CG1-CD1 3.62Å
212	H	95.3	Very high	95.2	Very high	78 Å²	78	51.6 Å²	51.6	36%	0.361	25%	0.248	S	C	.	.	H	α-helix	trans	-67	-26.2	-177.1	-79.8	-56.7	0	0	0	113.6	L208 A209 D214 D246	L208-H212 PolarHBondContact O-CD2 3.39Å; L208-H212 PolarHBondContact O-N 2.92Å; A209-H212 PolarHBondContact O-N 2.9Å; H212-D214 VanDerWaalsContact C-N 3.29Å; H212-D214 PolarHBondContact O-N 2.68Å; H212-D246 IonicContact CE1-OD2 3.01Å; H212-D246 IonicContact NE2-OD2 3.59Å; H212-D246 PolarHBondContact NE2-OD2 3.26Å
213	H	96.2	Very high	95.3	Very high	120 Å²	120	49.1 Å²	49.1	56%	0.556	24%	0.237	S	C	*	.	H	α-helix	trans	-61.3	-33.9	176.6	-175.2	79.8	0	0	0	113.4	L179 A209 V211	L179-H213 HydrophobicContact CB-CB 4.42Å; L179-H213 HydrophobicContact CD2-CB 4.19Å; A209-H213 PolarHBondContact O-N 3.27Å; A209-H213 VanDerWaalsContact O-N 3.12Å; V211-H213 VanDerWaalsContact C-N 3.27Å; V211-H213 PolarHBondContact O-N 3.39Å
214	D	94.3	Very high	95.3	Very high	40 Å²	40	53.1 Å²	53.1	21%	0.214	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-136.4	66.3	172.7	-173.4	-7.8	0	0	0	109.3	V211 H212 D216 R217 R218	V211-D214 CarbonylContact O-C 3.54Å; V211-D214 VanDerWaalsContact O-C 3.28Å; V211-D214 PolarHBondContact O-N 3.03Å; H212-D214 VanDerWaalsContact C-N 3.29Å; H212-D214 PolarHBondContact O-N 2.68Å; D214-D216 VanDerWaalsContact C-N 3.26Å; D214-D216 PolarHBondContact O-N 3.14Å; D214-R217 PolarHBondContact O-N 2.79Å; D214-R217 WeakPolarHBondContact OD1-CB 3.47Å; D214-R217 PolarHBondContact OD1-N 3.24Å; D214-R217 VanDerWaalsContact OD2-CD 3.31Å; D214-R217 WeakPolarHBondContact OD2-CD 3.45Å; D214-R217 IonicContact OD2-CZ 2.74Å; D214-R217 IonicContact OD2-NE 3.87Å; D214-R217 IonicContact OD2-NH1 3.38Å; D214-R217 PolarHBondContact OD2-NH1 3.33Å; D214-R217 VanDerWaalsContact OD2-NH1 3.13Å; D214-R218 HydrophobicContact CB-CG 4.1Å; D214-R218 VanDerWaalsContact O-CB 3.25Å; D214-R218 WeakPolarHBondContact O-CB 3.43Å; D214-R218 WeakPolarHBondContact O-CG 3.21Å; D214-R218 PolarHBondContact O-N 3.4Å
215	R	93.5	Very high	95.2	Very high	95 Å²	95	53 Å²	53	36%	0.358	26%	0.256	S	S	.	.	H	α-helix	trans	-51.1	-43.3	-172	178.5	178.9	162.9	165.3	0.8	112.6	V211 K219 E247 L248	V211-R215 WeakPolarHBondContact O-CA 3.47Å; V211-R215 PolarHBondContact O-N 2.9Å; R215-K219 WeakPolarHBondContact O-CB 3.28Å; R215-K219 WeakPolarHBondContact O-CG 3.41Å; R215-K219 PolarHBondContact O-N 3.2Å; R215-K219 VanDerWaalsContact O-N 3.08Å; R215-E247 IonicContact CZ-OE1 3.98Å; R215-E247 IonicContact CZ-OE2 3.68Å; R215-E247 IonicContact NH1-OE1 3.11Å; R215-E247 IonicContact NH1-OE2 2.7Å; R215-E247 PolarHBondContact NH1-OE2 3.22Å; R215-E247 IonicContact NH2-OE1 3.47Å; R215-E247 PolarHBondContact NH2-OE1 3.11Å; R215-E247 IonicContact NH2-OE2 3.87Å; R215-E247 PolarHBondContact NH2-OE2 2.78Å; R215-L248 HydrophobicContact CG-CD1 4.37Å; R215-L248 HydrophobicContact CG-CD2 4.03Å
216	D	91.8	Very high	95.1	Very high	115 Å²	115	50.1 Å²	50.1	62%	0.615	24%	0.242	S	C	*	.	H	α-helix	trans	-70.6	-37.3	-172.5	-77.6	-46	0	0	0	113.4	D214 K219	D214-D216 VanDerWaalsContact C-N 3.26Å; D214-D216 PolarHBondContact O-N 3.14Å; D216-K219 WeakPolarHBondContact O-CE 3.48Å; D216-K219 IonicContact OD1-NZ 3.5Å; D216-K219 PolarHBondContact OD1-NZ 3.49Å
217	R	93.1	Very high	95	Very high	188 Å²	188	51.8 Å²	51.8	71%	0.709	26%	0.255	S	S	*	.	H	α-helix	trans	-87.6	-29.9	179.9	-63.9	175.3	61	-147.9	9.8	112.4	D214	D214-R217 PolarHBondContact O-N 2.79Å; D214-R217 WeakPolarHBondContact OD1-CB 3.47Å; D214-R217 PolarHBondContact OD1-N 3.24Å; D214-R217 VanDerWaalsContact OD2-CD 3.31Å; D214-R217 WeakPolarHBondContact OD2-CD 3.45Å; D214-R217 IonicContact OD2-CZ 2.74Å; D214-R217 IonicContact OD2-NE 3.87Å; D214-R217 IonicContact OD2-NH1 3.38Å; D214-R217 PolarHBondContact OD2-NH1 3.33Å; D214-R217 VanDerWaalsContact OD2-NH1 3.13Å
218	R	95.1	Very high	94.8	Very high	29 Å²	29	56.2 Å²	56.2	11%	0.109	27%	0.274	C	S	.	.	H	α-helix	trans	-97	-17.7	-172	-61.5	176.1	-179.9	176.3	-2.4	114.4	L179 W210 V211 D214 T220 L221	L179-R218 PolarHBondContact O-NH1 2.93Å; L179-R218 PolarHBondContact O-NH2 3.41Å; W210-R218 VanDerWaalsContact CE2-CZ 3.48Å; W210-R218 HydrophobicContact CE3-CB 4.48Å; W210-R218 HydrophobicContact CE3-CG 4.4Å; W210-R218 HydrophobicContact CH2-CB 4.35Å; W210-R218 HydrophobicContact CH2-CG 3.76Å; W210-R218 HydrophobicContact CZ2-CG 4.28Å; W210-R218 HydrophobicContact CZ3-CB 3.95Å; W210-R218 HydrophobicContact CZ3-CG 3.83Å; W210-R218 WeakPolarHBondContact O-CD 3.34Å; W210-R218 PolarHBondContact O-NH1 3.36Å; V211-R218 HydrophobicContact CG1-CB 4.18Å; D214-R218 HydrophobicContact CB-CG 4.1Å; D214-R218 VanDerWaalsContact O-CB 3.25Å; D214-R218 WeakPolarHBondContact O-CB 3.43Å; D214-R218 WeakPolarHBondContact O-CG 3.21Å; D214-R218 PolarHBondContact O-N 3.4Å; R218-T220 PolarHBondContact O-N 3.41Å; R218-L221 WeakPolarHBondContact O-CB 3.47Å; R218-L221 PolarHBondContact O-N 3.44Å
219	K	93.7	Very high	94.7	Very high	94 Å²	94	56.1 Å²	56.1	41%	0.409	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-31.2	-179.6	63.4	-170.1	175.6	-160.8	0	114.5	R215 D216 L221 L222 L248	R215-K219 WeakPolarHBondContact O-CB 3.28Å; R215-K219 WeakPolarHBondContact O-CG 3.41Å; R215-K219 PolarHBondContact O-N 3.2Å; R215-K219 VanDerWaalsContact O-N 3.08Å; D216-K219 WeakPolarHBondContact O-CE 3.48Å; D216-K219 IonicContact OD1-NZ 3.5Å; D216-K219 PolarHBondContact OD1-NZ 3.49Å; K219-L221 VanDerWaalsContact C-N 3.26Å; K219-L221 PolarHBondContact O-N 3Å; K219-L222 PolarHBondContact O-N 3.09Å; K219-L248 HydrophobicContact CB-CD2 4.23Å
220	T	93.9	Very high	94.4	Very high	97 Å²	97	53.9 Å²	53.9	60%	0.595	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-21.7	179.3	52	0	0	0	0	113	R218 P223	R218-T220 PolarHBondContact O-N 3.41Å; T220-P223 WeakPolarHBondContact O-CD 3.22Å
221	L	95.1	Very high	94.1	Very high	38 Å²	38	53.9 Å²	53.9	20%	0.199	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-15.9	-179.6	-59.2	169.9	0	0	0	112.8	A183 W210 R218 K219 P223 E224 L225	A183-L221 HydrophobicContact CB-CD1 3.53Å; W210-L221 HydrophobicContact CH2-CD1 3.81Å; W210-L221 HydrophobicContact CZ3-CD1 4.1Å; R218-L221 WeakPolarHBondContact O-CB 3.47Å; R218-L221 PolarHBondContact O-N 3.44Å; K219-L221 VanDerWaalsContact C-N 3.26Å; K219-L221 PolarHBondContact O-N 3Å; L221-P223 VanDerWaalsContact C-CD 3.43Å; L221-P223 VanDerWaalsContact C-N 3.35Å; L221-E224 PolarHBondContact O-N 2.91Å; L221-L225 PolarHBondContact O-N 3.36Å
222	L	95.1	Very high	93.6	Very high	2 Å²	2	54 Å²	54	1%	0.01	26%	0.257	C	S	.	.	H	α-helix	trans	-52.3	-43.1	-178.2	-177.9	62.6	0	0	0	113.7	L208 V211 K219 E224 L225 L226 L248 I249	L208-L222 HydrophobicContact CD1-CD1 4.42Å; V211-L222 HydrophobicContact CG2-CB 4.48Å; V211-L222 HydrophobicContact CG2-CD1 3.98Å; K219-L222 PolarHBondContact O-N 3.09Å; L222-E224 VanDerWaalsContact C-N 3.28Å; L222-E224 PolarHBondContact O-N 3.44Å; L222-L225 PolarHBondContact O-N 2.83Å; L222-L226 HydrophobicContact CD1-CD1 4.39Å; L222-L226 HydrophobicContact CD1-CD2 4.43Å; L222-L226 HydrophobicContact CD1-CG 4.1Å; L222-L226 HydrophobicContact CG-CD1 4.22Å; L222-L226 HydrophobicContact CG-CG 4.34Å; L222-L226 WeakPolarHBondContact O-CG 3.38Å; L222-L226 PolarHBondContact O-N 3.41Å; L222-L248 HydrophobicContact CD2-CB 3.55Å; L222-L248 HydrophobicContact CD2-CD1 4.45Å; L222-I249 HydrophobicContact CD2-CG1 3.99Å
223	P	95.4	Very high	93	Very high	6 Å²	6	52.6 Å²	52.6	4%	0.039	25%	0.251	C	S	.	.	H	α-helix	trans	-60.9	-35.6	176.7	-21.9	32.6	0	0	0	113.7	T220 L221 A227 R254 L258	T220-P223 WeakPolarHBondContact O-CD 3.22Å; L221-P223 VanDerWaalsContact C-CD 3.43Å; L221-P223 VanDerWaalsContact C-N 3.35Å; P223-A227 WeakPolarHBondContact O-CB 3.4Å; P223-A227 PolarHBondContact O-N 3.13Å; P223-A227 VanDerWaalsContact O-N 3.09Å; P223-R254 HydrophobicContact CB-CB 3.82Å; P223-R254 HydrophobicContact CG-CB 4.09Å; P223-L258 WeakPolarHBondContact O-CD1 2.96Å
224	E	95.3	Very high	92.6	Very high	85 Å²	85	46.9 Å²	46.9	40%	0.397	23%	0.225	S	C	.	.	H	α-helix	trans	-73.9	-38.5	-179.6	-65.6	175.6	-157.5	0	0	110.9	L187 L221 L222 A227 K228	L187-E224 HydrophobicContact CD2-CB 3.85Å; L221-E224 PolarHBondContact O-N 2.91Å; L222-E224 VanDerWaalsContact C-N 3.28Å; L222-E224 PolarHBondContact O-N 3.44Å; E224-A227 PolarHBondContact O-N 3.33Å; E224-K228 PolarHBondContact O-N 3.19Å
225	L	94.9	Very high	92.1	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-62	-49	172.1	-70.8	167.3	0	0	0	111.4	V186 L187 M190 W210 V211 L221 L222 A227 K228 I229	V186-L225 HydrophobicContact CB-CD2 4.4Å; V186-L225 HydrophobicContact CG1-CD2 3.72Å; L187-L225 HydrophobicContact CD2-CD2 3.76Å; L187-L225 HydrophobicContact CD2-CG 4.03Å; L187-L225 HydrophobicContact CG-CD2 4.03Å; M190-L225 HydrophobicContact CG-CD2 3.9Å; W210-L225 HydrophobicContact CE3-CD1 3.9Å; W210-L225 HydrophobicContact CZ3-CD1 3.89Å; V211-L225 HydrophobicContact CG2-CD1 3.56Å; L221-L225 PolarHBondContact O-N 3.36Å; L222-L225 PolarHBondContact O-N 2.83Å; L225-A227 PolarHBondContact O-N 3.16Å; L225-K228 WeakPolarHBondContact O-CB 3.34Å; L225-K228 PolarHBondContact O-N 3.36Å; L225-I229 WeakPolarHBondContact O-CG1 3.49Å; L225-I229 PolarHBondContact O-N 2.88Å
226	L	94.9	Very high	91.7	Very high	2 Å²	2	50 Å²	50	1%	0.01	25%	0.248	C	C	.	.	H	α-helix	trans	-61.3	-31.4	177.9	-69.4	-178.3	0	0	0	112.6	F204 L222 K228 I229 L231 I249 C255 L258	F204-L226 HydrophobicContact CD2-CD2 3.8Å; F204-L226 HydrophobicContact CE2-CD2 3.59Å; L222-L226 HydrophobicContact CD1-CD1 4.39Å; L222-L226 HydrophobicContact CD1-CD2 4.43Å; L222-L226 HydrophobicContact CD1-CG 4.1Å; L222-L226 HydrophobicContact CG-CD1 4.22Å; L222-L226 HydrophobicContact CG-CG 4.34Å; L222-L226 WeakPolarHBondContact O-CG 3.38Å; L222-L226 PolarHBondContact O-N 3.41Å; L226-K228 PolarHBondContact O-N 3.21Å; L226-I229 HydrophobicContact CD2-CD1 4.11Å; L226-I229 PolarHBondContact O-N 2.94Å; L226-I229 VanDerWaalsContact O-O 3.13Å; L226-L231 HydrophobicContact CB-CD1 4.34Å; L226-L231 HydrophobicContact CD2-CD1 4.41Å; L226-L231 HydrophobicContact CD2-CD2 4.45Å; L226-I249 HydrophobicContact CD1-CD1 4.25Å; L226-I249 HydrophobicContact CD1-CG1 4.32Å; L226-C255 HydrophobicContact CD1-CB 3.7Å; L226-L258 HydrophobicContact CB-CD1 3.66Å
227	A	93.1	Very high	91.5	Very high	42 Å²	42	53.8 Å²	53.8	35%	0.347	25%	0.254	S	S	.	.	H	α-helix	trans	-69.1	-22.5	175.6	0	0	0	0	0	113.4	P223 E224 L225 L258	P223-A227 WeakPolarHBondContact O-CB 3.4Å; P223-A227 PolarHBondContact O-N 3.13Å; P223-A227 VanDerWaalsContact O-N 3.09Å; E224-A227 PolarHBondContact O-N 3.33Å; L225-A227 PolarHBondContact O-N 3.16Å; A227-L258 HydrophobicContact CB-CD1 4.33Å
228	K	92.9	Very high	91.4	Very high	95 Å²	95	46.6 Å²	46.6	41%	0.413	23%	0.228	S	C	.	.	H	α-helix	trans	-87.3	-19	173.7	-62.3	-63.2	-174	174.4	0	113	L187 M190 E224 L225 L226 F278	L187-K228 HydrophobicContact CD2-CG 4.32Å; M190-K228 HydrophobicContact CB-CB 3.87Å; M190-K228 VanDerWaalsContact O-O 3.13Å; E224-K228 PolarHBondContact O-N 3.19Å; L225-K228 WeakPolarHBondContact O-CB 3.34Å; L225-K228 PolarHBondContact O-N 3.36Å; L226-K228 PolarHBondContact O-N 3.21Å; K228-F278 WeakPolarHBondContact O-CE1 3.5Å; K228-F278 WeakPolarHBondContact O-CZ 3.32Å
229	I	93.6	Very high	91.3	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	22%	0.223	C	C	.	.	S	Bend	trans	-84.2	139.1	176.1	-64.1	161.1	0	0	0	109.4	E200 V203 F204 A207 L225 L226 L231	E200-I229 HydrophobicContact CG-CG2 3.83Å; E200-I229 WeakPolarHBondContact OE1-CG2 3.36Å; V203-I229 HydrophobicContact CG1-CG1 4.12Å; F204-I229 HydrophobicContact CB-CG2 4.37Å; A207-I229 HydrophobicContact CB-CD1 3.71Å; L225-I229 WeakPolarHBondContact O-CG1 3.49Å; L225-I229 PolarHBondContact O-N 2.88Å; L226-I229 HydrophobicContact CD2-CD1 4.11Å; L226-I229 PolarHBondContact O-N 2.94Å; L226-I229 VanDerWaalsContact O-O 3.13Å; I229-L231 HydrophobicContact CG2-CD2 3.93Å; I229-L231 HydrophobicContact CG2-CG 4.16Å; I229-L231 PolarHBondContact O-N 3.35Å
230	R	90.5	Very high	91.2	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.217	C	C	.	.			trans	-85.7	56.1	-178.1	-51.3	179.3	-174.3	179.6	1.4	110.7	D193 E200 P232 L233 F278 R281 P282	D193-R230 IonicContact OD1-CZ 2.79Å; D193-R230 IonicContact OD1-NH2 2.69Å; D193-R230 PolarHBondContact OD1-NH2 3.26Å; D193-R230 IonicContact OD2-CZ 3.46Å; D193-R230 IonicContact OD2-NH1 3.74Å; D193-R230 IonicContact OD2-NH2 3.3Å; D193-R230 PolarHBondContact OD2-NH2 2.93Å; E200-R230 HydrophobicContact CG-CB 3.89Å; E200-R230 PolarHBondContact OE1-N 3.42Å; R230-P232 WeakPolarHBondContact O-CD 3.41Å; R230-L233 HydrophobicContact CB-CD1 3.73Å; R230-L233 HydrophobicContact CB-CG 4.14Å; R230-L233 HydrophobicContact CG-CD1 4.47Å; R230-L233 WeakPolarHBondContact O-CB 3.4Å; R230-L233 PolarHBondContact O-N 2.99Å; R230-F278 VanDerWaalsContact CD-O 3.3Å; R230-F278 WeakPolarHBondContact CD-O 3.43Å; R230-F278 HydrophobicContact CG-CE1 4.29Å; R230-F278 HydrophobicContact CG-CZ 4.45Å; R230-F278 PolarHBondContact NE-O 3.35Å; R230-R281 WeakPolarHBondContact CD-O 3.31Å; R230-R281 PolarHBondContact NH1-O 3.32Å; R230-P282 PolarHBondContact NH1-O 2.82Å
231	L	91.2	Very high	91.1	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.021	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-45.7	-36.2	-178	-66.8	173.8	0	0	0	114.9	F204 L226 I229 L233 C234 L239 L258 V259 A262	F204-L231 HydrophobicContact CD2-CD2 3.9Å; F204-L231 HydrophobicContact CE2-CD2 4.4Å; L226-L231 HydrophobicContact CB-CD1 4.34Å; L226-L231 HydrophobicContact CD2-CD1 4.41Å; L226-L231 HydrophobicContact CD2-CD2 4.45Å; I229-L231 HydrophobicContact CG2-CD2 3.93Å; I229-L231 HydrophobicContact CG2-CG 4.16Å; I229-L231 PolarHBondContact O-N 3.35Å; L231-L233 PolarHBondContact O-N 3.11Å; L231-L233 VanDerWaalsContact O-N 3.11Å; L231-C234 WeakPolarHBondContact O-CB 3.34Å; L231-C234 PolarHBondContact O-N 3.17Å; L231-L239 HydrophobicContact CB-CD2 4.48Å; L231-L239 HydrophobicContact CD2-CD2 4.4Å; L231-L258 HydrophobicContact CD1-CB 4.16Å; L231-V259 HydrophobicContact CD1-CG2 4.46Å; L231-A262 HydrophobicContact CB-CB 3.63Å
232	P	87.6	Confident	91.1	Very high	4 Å²	4	46.6 Å²	46.6	3%	0.026	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-59.7	-16.1	174.4	-27	37.4	0	0	0	115.8	R230 A262 F265 H266 K279	R230-P232 WeakPolarHBondContact O-CD 3.41Å; P232-A262 HydrophobicContact CG-CB 4.26Å; P232-F265 HydrophobicContact CB-CB 3.99Å; P232-F265 HydrophobicContact CB-CD1 3.62Å; P232-F265 HydrophobicContact CB-CD2 4.16Å; P232-F265 HydrophobicContact CB-CE1 4.08Å; P232-F265 HydrophobicContact CB-CG 3.67Å; P232-F265 VanDerWaalsContact O-CD1 3.27Å; P232-F265 WeakPolarHBondContact O-CD1 3.29Å; P232-F265 VanDerWaalsContact O-CE1 3.3Å; P232-F265 WeakPolarHBondContact O-CE1 3.38Å; P232-H266 PolarHBondContact O-CE1 2.91Å; P232-H266 VanDerWaalsContact O-CE1 3.22Å; P232-H266 PolarHBondContact O-NE2 2.92Å; P232-K279 HydrophobicContact CG-CB 4.24Å
233	L	82.2	Confident	91	Very high	47 Å²	47	46.5 Å²	46.5	25%	0.246	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-94.1	-7.8	177.6	-57.5	178.2	0	0	0	113.2	E200 R230 L231 R281	E200-L233 HydrophobicContact CB-CB 4.38Å; R230-L233 HydrophobicContact CB-CD1 3.73Å; R230-L233 HydrophobicContact CB-CG 4.14Å; R230-L233 HydrophobicContact CG-CD1 4.47Å; R230-L233 WeakPolarHBondContact O-CB 3.4Å; R230-L233 PolarHBondContact O-N 2.99Å; L231-L233 PolarHBondContact O-N 3.11Å; L231-L233 VanDerWaalsContact O-N 3.11Å; L233-R281 WeakPolarHBondContact CD1-O 3.23Å
234	C	86.6	Confident	90.9	Very high	1 Å²	1	50 Å²	50	1%	0.007	24%	0.242	C	C	.	.	S	Bend	trans	-72.9	154.1	172.5	-61.6	0	0	0	0	110.4	E201 L231 F238 L239 H266	E201-C234 HydrophobicContact CG-CB 4.33Å; E201-C234 WeakPolarHBondContact OE1-CA 3.5Å; L231-C234 WeakPolarHBondContact O-CB 3.34Å; L231-C234 PolarHBondContact O-N 3.17Å; C234-F238 HydrophobicContact CB-CD1 4.16Å; C234-L239 HydrophobicContact CB-CD2 3.94Å; C234-L239 HydrophobicContact CB-CG 4.09Å; C234-H266 PolarHBondContact O-CE1 2.66Å; C234-H266 PolarHBondContact O-NE2 3.45Å; C234-H266 VanDerWaalsContact O-NE2 3.14Å
235	Q	84.3	Confident	90.8	Very high	128 Å²	128	50.8 Å²	50.8	60%	0.598	25%	0.246	S	C	*	.			trans	-64.6	141.3	176.2	-65.9	-177.7	2.3	0	0	111.7	E201 R237 F238 L239	E201-Q235 PolarHBondContact OE1-N 3.05Å; Q235-R237 PolarHBondContact O-N 3.28Å; Q235-R237 VanDerWaalsContact O-N 3.13Å; Q235-F238 HydrophobicContact CB-CB 4.27Å; Q235-F238 WeakPolarHBondContact O-CA 3.32Å; Q235-F238 WeakPolarHBondContact O-CB 3.48Å; Q235-F238 PolarHBondContact O-N 2.81Å; Q235-L239 PolarHBondContact O-N 2.75Å
236	P	86.3	Confident	90.8	Very high	71 Å²	71	51.4 Å²	51.4	46%	0.461	25%	0.249	S	C	.	.	H	α-helix	trans	-56	-34.3	179.2	-28.2	34.2	0	0	0	114.3	S240 H266	P236-S240 PolarHBondContact O-N 3.31Å; P236-S240 PolarHBondContact O-OG 3.39Å; P236-S240 VanDerWaalsContact O-OG 3.06Å; P236-H266 HydrophobicContact CG-CB 4.29Å
237	R	87.2	Confident	90.7	Very high	195 Å²	195	56.3 Å²	56.3	74%	0.736	27%	0.272	S	S	*	.	H	α-helix	trans	-66.2	-44.7	174.7	-69.3	-174.5	-178.9	173.8	1.4	111.3	Q235 L239 S240 D241	Q235-R237 PolarHBondContact O-N 3.28Å; Q235-R237 VanDerWaalsContact O-N 3.13Å; R237-L239 VanDerWaalsContact C-N 3.33Å; R237-L239 PolarHBondContact O-N 3.17Å; R237-S240 PolarHBondContact O-N 3.32Å; R237-D241 VanDerWaalsContact O-CB 3.28Å; R237-D241 WeakPolarHBondContact O-CB 3.46Å; R237-D241 PolarHBondContact O-N 3.4Å
238	F	91.1	Very high	90.8	Very high	38 Å²	38	55 Å²	55	17%	0.167	26%	0.259	C	S	.	.	H	α-helix	trans	-59.9	-44.2	176.3	-174.6	-95.3	0	0	0	111.7	E201 F204 E205 C234 Q235 S240 R242 V243	E201-F238 HydrophobicContact CB-CD1 4.35Å; E201-F238 HydrophobicContact CB-CD2 4.31Å; E201-F238 HydrophobicContact CB-CE1 4.03Å; E201-F238 HydrophobicContact CB-CE2 3.99Å; E201-F238 HydrophobicContact CB-CG 4.47Å; E201-F238 HydrophobicContact CB-CZ 3.84Å; E201-F238 HydrophobicContact CG-CB 4.12Å; E201-F238 HydrophobicContact CG-CD1 3.45Å; E201-F238 VanDerWaalsContact CG-CD1 3.45Å; E201-F238 HydrophobicContact CG-CD2 3.66Å; E201-F238 HydrophobicContact CG-CE1 3.63Å; E201-F238 HydrophobicContact CG-CE2 3.84Å; E201-F238 HydrophobicContact CG-CG 3.45Å; E201-F238 VanDerWaalsContact CG-CG 3.45Å; E201-F238 HydrophobicContact CG-CZ 3.82Å; F204-F238 HydrophobicContact CB-CE1 4.39Å; F204-F238 AromaticContact CD1-CE1 3.7Å; F204-F238 HydrophobicContact CD1-CE1 3.7Å; F204-F238 AromaticContact CD1-CZ 3.67Å; F204-F238 HydrophobicContact CD1-CZ 3.67Å; F204-F238 HydrophobicContact CE1-CE1 4.22Å; F204-F238 HydrophobicContact CE1-CZ 4.2Å; F204-F238 HydrophobicContact CG-CE1 4.09Å; F204-F238 HydrophobicContact CG-CZ 4.42Å; E205-F238 HydrophobicContact CG-CZ 4.28Å; C234-F238 HydrophobicContact CB-CD1 4.16Å; Q235-F238 HydrophobicContact CB-CB 4.27Å; Q235-F238 WeakPolarHBondContact O-CA 3.32Å; Q235-F238 WeakPolarHBondContact O-CB 3.48Å; Q235-F238 PolarHBondContact O-N 2.81Å; F238-S240 VanDerWaalsContact C-N 3.29Å; F238-S240 PolarHBondContact O-N 3.33Å; F238-R242 HydrophobicContact CD2-CB 3.99Å; F238-R242 HydrophobicContact CD2-CG 4.21Å; F238-R242 HydrophobicContact CE2-CB 3.98Å; F238-R242 HydrophobicContact CE2-CG 3.66Å; F238-R242 HydrophobicContact CG-CB 4.42Å; F238-R242 HydrophobicContact CZ-CB 4.39Å; F238-R242 HydrophobicContact CZ-CG 3.87Å; F238-R242 WeakPolarHBondContact O-CA 3.38Å; F238-R242 WeakPolarHBondContact O-CB 3.41Å; F238-R242 PolarHBondContact O-N 3.45Å; F238-V243 HydrophobicContact CD1-CG2 3.51Å; F238-V243 HydrophobicContact CE1-CG2 3.34Å; F238-V243 HydrophobicContact CZ-CG2 4.3Å; F238-V243 PolarHBondContact O-N 3.42Å
239	L	92.8	Very high	90.8	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.24	C	C	.	.	I	π-helix	trans	-59.3	-38	176.7	-67.5	175.7	0	0	0	112.9	L231 C234 Q235 R237 V243 Q244 A262 K263	L231-L239 HydrophobicContact CB-CD2 4.48Å; L231-L239 HydrophobicContact CD2-CD2 4.4Å; C234-L239 HydrophobicContact CB-CD2 3.94Å; C234-L239 HydrophobicContact CB-CG 4.09Å; Q235-L239 PolarHBondContact O-N 2.75Å; R237-L239 VanDerWaalsContact C-N 3.33Å; R237-L239 PolarHBondContact O-N 3.17Å; L239-V243 HydrophobicContact CD2-CG2 4.21Å; L239-Q244 WeakPolarHBondContact O-CB 3.45Å; L239-Q244 PolarHBondContact O-N 3.23Å; L239-A262 HydrophobicContact CD1-CB 3.94Å; L239-A262 HydrophobicContact CD2-CB 4.32Å; L239-K263 HydrophobicContact CB-CG 4.43Å; L239-K263 HydrophobicContact CD1-CG 4.32Å
240	S	90.9	Very high	90.8	Very high	41 Å²	41	57.3 Å²	57.3	29%	0.287	27%	0.265	S	S	.	.	I	π-helix	trans	-88.5	-40.1	-174.7	-56.2	0	0	0	0	113.6	P236 R237 F238 Q245 K263	P236-S240 PolarHBondContact O-N 3.31Å; P236-S240 PolarHBondContact O-OG 3.39Å; P236-S240 VanDerWaalsContact O-OG 3.06Å; R237-S240 PolarHBondContact O-N 3.32Å; F238-S240 VanDerWaalsContact C-N 3.29Å; F238-S240 PolarHBondContact O-N 3.33Å; S240-Q245 PolarHBondContact O-NE2 2.95Å; S240-K263 PolarHBondContact OG-NZ 3.24Å
241	D	92.1	Very high	90.9	Very high	114 Å²	114	62.2 Å²	62.2	61%	0.61	30%	0.299	S	S	*	.	I	π-helix	trans	-92.2	-27.7	-171	-59	-18.1	0	0	0	112.1	R237 Q245	R237-D241 VanDerWaalsContact O-CB 3.28Å; R237-D241 WeakPolarHBondContact O-CB 3.46Å; R237-D241 PolarHBondContact O-N 3.4Å; D241-Q245 WeakPolarHBondContact O-CG 3.41Å
242	R	94.4	Very high	91.1	Very high	103 Å²	103	63.5 Å²	63.5	39%	0.389	31%	0.307	S	S	.	.	I	π-helix	trans	-111.6	-61.3	-178.1	-179.4	61	178.8	138.9	4.6	112.2	E205 F238 Q245 D246	E205-R242 WeakPolarHBondContact OE1-CG 3.49Å; E205-R242 IonicContact OE1-CZ 2.85Å; E205-R242 IonicContact OE1-NE 3.01Å; E205-R242 PolarHBondContact OE1-NE 3.44Å; E205-R242 IonicContact OE1-NH2 3.75Å; E205-R242 PolarHBondContact OE1-NH2 3.19Å; E205-R242 IonicContact OE2-CZ 3.45Å; E205-R242 IonicContact OE2-NE 2.84Å; E205-R242 IonicContact OE2-NH2 2.79Å; E205-R242 PolarHBondContact OE2-NH2 3.08Å; F238-R242 HydrophobicContact CD2-CB 3.99Å; F238-R242 HydrophobicContact CD2-CG 4.21Å; F238-R242 HydrophobicContact CE2-CB 3.98Å; F238-R242 HydrophobicContact CE2-CG 3.66Å; F238-R242 HydrophobicContact CG-CB 4.42Å; F238-R242 HydrophobicContact CZ-CB 4.39Å; F238-R242 HydrophobicContact CZ-CG 3.87Å; F238-R242 WeakPolarHBondContact O-CA 3.38Å; F238-R242 WeakPolarHBondContact O-CB 3.41Å; F238-R242 PolarHBondContact O-N 3.45Å; R242-Q245 PolarHBondContact O-N 3.19Å; R242-D246 PolarHBondContact O-N 3.13Å
243	V	94.4	Very high	91.4	Very high	0 Å²	0	69 Å²	69	0%	0	33%	0.332	C	S	.	.	I	π-helix	trans	-64.2	-52.5	-172.4	-179.2	0	0	0	0	111.5	F204 F238 L239 Q245 D246 I249 V259	F204-V243 HydrophobicContact CD1-CG2 4.27Å; F204-V243 HydrophobicContact CD2-CG2 4.3Å; F204-V243 HydrophobicContact CE1-CG2 3.86Å; F204-V243 HydrophobicContact CE2-CB 4.28Å; F204-V243 HydrophobicContact CE2-CG1 3.63Å; F204-V243 HydrophobicContact CE2-CG2 3.88Å; F204-V243 HydrophobicContact CG-CG2 4.48Å; F204-V243 HydrophobicContact CZ-CB 4Å; F204-V243 HydrophobicContact CZ-CG1 3.72Å; F204-V243 HydrophobicContact CZ-CG2 3.66Å; F238-V243 HydrophobicContact CD1-CG2 3.51Å; F238-V243 HydrophobicContact CE1-CG2 3.34Å; F238-V243 HydrophobicContact CZ-CG2 4.3Å; F238-V243 PolarHBondContact O-N 3.42Å; L239-V243 HydrophobicContact CD2-CG2 4.21Å; V243-Q245 PolarHBondContact O-N 3.42Å; V243-D246 PolarHBondContact O-N 2.78Å; V243-I249 HydrophobicContact CG1-CD1 3.61Å; V243-I249 WeakPolarHBondContact O-CD1 3.43Å; V243-V259 HydrophobicContact CG1-CG1 4.39Å; V243-V259 HydrophobicContact CG1-CG2 3.57Å
244	Q	92.8	Very high	92	Very high	78 Å²	78	72.4 Å²	72.4	36%	0.364	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-21.9	-178.9	-170.2	-175.8	3.2	0	0	113.2	L239 R250	L239-Q244 WeakPolarHBondContact O-CB 3.45Å; L239-Q244 PolarHBondContact O-N 3.23Å; Q244-R250 WeakPolarHBondContact O-CD 3.34Å; Q244-R250 WeakPolarHBondContact O-CG 3.36Å
245	Q	93.6	Very high	92.4	Very high	102 Å²	102	72.4 Å²	72.4	48%	0.477	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-15.3	-179.3	-59.4	-54	-31.5	0	0	113.3	S240 D241 R242 V243 E247	S240-Q245 PolarHBondContact O-NE2 2.95Å; D241-Q245 WeakPolarHBondContact O-CG 3.41Å; R242-Q245 PolarHBondContact O-N 3.19Å; V243-Q245 PolarHBondContact O-N 3.42Å; Q245-E247 PolarHBondContact O-N 3.45Å
246	D	94.8	Very high	92.9	Very high	13 Å²	13	72 Å²	72	7%	0.07	34%	0.335	C	S	.	.			trans	-64.3	133.5	178.7	-175	-84.1	0	0	0	111.9	H212 R242 V243 L248 I249 R250	H212-D246 IonicContact CE1-OD2 3.01Å; H212-D246 IonicContact NE2-OD2 3.59Å; H212-D246 PolarHBondContact NE2-OD2 3.26Å; R242-D246 PolarHBondContact O-N 3.13Å; V243-D246 PolarHBondContact O-N 2.78Å; D246-L248 PolarHBondContact O-N 3.24Å; D246-L248 WeakPolarHBondContact OD1-CB 3.31Å; D246-L248 PolarHBondContact OD1-N 3.08Å; D246-I249 HydrophobicContact CB-CB 4.28Å; D246-I249 HydrophobicContact CB-CD1 4.14Å; D246-I249 HydrophobicContact CB-CG1 4.17Å; D246-I249 PolarHBondContact O-N 3.37Å; D246-I249 PolarHBondContact OD1-N 3.15Å; D246-R250 WeakPolarHBondContact O-CG 3.48Å; D246-R250 PolarHBondContact O-N 3.14Å
247	E	93.4	Very high	93.3	Very high	105 Å²	105	73.1 Å²	73.1	49%	0.491	34%	0.337	S	S	.	.	H	α-helix	trans	-61	-41.9	-174.9	-164.2	-164.4	155.1	0	0	112.1	R215 Q245 I249 R250 C251	R215-E247 IonicContact CZ-OE1 3.98Å; R215-E247 IonicContact CZ-OE2 3.68Å; R215-E247 IonicContact NH1-OE1 3.11Å; R215-E247 IonicContact NH1-OE2 2.7Å; R215-E247 PolarHBondContact NH1-OE2 3.22Å; R215-E247 IonicContact NH2-OE1 3.47Å; R215-E247 PolarHBondContact NH2-OE1 3.11Å; R215-E247 IonicContact NH2-OE2 3.87Å; R215-E247 PolarHBondContact NH2-OE2 2.78Å; Q245-E247 PolarHBondContact O-N 3.45Å; E247-I249 VanDerWaalsContact C-N 3.32Å; E247-I249 PolarHBondContact O-N 3.22Å; E247-R250 PolarHBondContact O-N 3.14Å; E247-C251 WeakPolarHBondContact O-CB 3.48Å; E247-C251 PolarHBondContact O-N 3.19Å; E247-C251 PolarHBondContact O-SG 3.28Å; E247-C251 VanDerWaalsContact O-SG 3.32Å
248	L	93.2	Very high	93.6	Very high	14 Å²	14	64.9 Å²	64.9	7%	0.073	31%	0.308	C	S	.	.	H	α-helix	trans	-68.9	-35.2	-177.7	-60.4	179.3	0	0	0	111.4	V211 R215 K219 L222 D246 C252	V211-L248 HydrophobicContact CG1-CD1 3.62Å; R215-L248 HydrophobicContact CG-CD1 4.37Å; R215-L248 HydrophobicContact CG-CD2 4.03Å; K219-L248 HydrophobicContact CB-CD2 4.23Å; L222-L248 HydrophobicContact CD2-CB 3.55Å; L222-L248 HydrophobicContact CD2-CD1 4.45Å; D246-L248 PolarHBondContact O-N 3.24Å; D246-L248 WeakPolarHBondContact OD1-CB 3.31Å; D246-L248 PolarHBondContact OD1-N 3.08Å; L248-C252 WeakPolarHBondContact O-CB 3.47Å; L248-C252 PolarHBondContact O-N 2.74Å
249	I	93.9	Very high	93.7	Very high	2 Å²	2	63.2 Å²	63.2	1%	0.01	30%	0.3	C	S	.	.	H	α-helix	trans	-69	-48.1	175.7	-64.8	-177.2	0	0	0	110	F204 L222 L226 V243 D246 E247 C251 C252 C255 R256 V259	F204-I249 HydrophobicContact CE2-CD1 3.85Å; F204-I249 HydrophobicContact CZ-CD1 3.72Å; L222-I249 HydrophobicContact CD2-CG1 3.99Å; L226-I249 HydrophobicContact CD1-CD1 4.25Å; L226-I249 HydrophobicContact CD1-CG1 4.32Å; V243-I249 HydrophobicContact CG1-CD1 3.61Å; V243-I249 WeakPolarHBondContact O-CD1 3.43Å; D246-I249 HydrophobicContact CB-CB 4.28Å; D246-I249 HydrophobicContact CB-CD1 4.14Å; D246-I249 HydrophobicContact CB-CG1 4.17Å; D246-I249 PolarHBondContact O-N 3.37Å; D246-I249 PolarHBondContact OD1-N 3.15Å; E247-I249 VanDerWaalsContact C-N 3.32Å; E247-I249 PolarHBondContact O-N 3.22Å; I249-C251 VanDerWaalsContact C-N 3.29Å; I249-C251 PolarHBondContact O-N 2.77Å; I249-C252 PolarHBondContact O-N 2.84Å; I249-C252 VanDerWaalsContact O-N 3.14Å; I249-C252 VanDerWaalsContact O-O 3.06Å; I249-C255 HydrophobicContact CB-CB 4.33Å; I249-C255 HydrophobicContact CG1-CB 4.37Å; I249-C255 HydrophobicContact CG2-CB 4.04Å; I249-R256 WeakPolarHBondContact O-CG 3.45Å; I249-V259 HydrophobicContact CG2-CG2 4.02Å
250	R	94	Very high	93.5	Very high	143 Å²	143	66.8 Å²	66.8	54%	0.54	32%	0.319	S	S	.	.	H	α-helix	trans	-60.3	-37.6	179.6	-71.1	175.2	64.9	147.7	0.5	113.1	Q244 D246 E247 C252 R256	Q244-R250 WeakPolarHBondContact O-CD 3.34Å; Q244-R250 WeakPolarHBondContact O-CG 3.36Å; D246-R250 WeakPolarHBondContact O-CG 3.48Å; D246-R250 PolarHBondContact O-N 3.14Å; E247-R250 PolarHBondContact O-N 3.14Å; R250-C252 VanDerWaalsContact C-N 3.31Å; R250-R256 PolarHBondContact O-NE 3.35Å
251	C	92.4	Very high	93.5	Very high	104 Å²	104	67.6 Å²	67.6	70%	0.703	32%	0.319	S	S	*	.	H	α-helix	trans	-79.2	-10.4	-179.3	-69.8	0	0	0	0	113.9	E247 I249	E247-C251 WeakPolarHBondContact O-CB 3.48Å; E247-C251 PolarHBondContact O-N 3.19Å; E247-C251 PolarHBondContact O-SG 3.28Å; E247-C251 VanDerWaalsContact O-SG 3.32Å; I249-C251 VanDerWaalsContact C-N 3.29Å; I249-C251 PolarHBondContact O-N 2.77Å
252	C	94.8	Very high	93.3	Very high	30 Å²	30	62.1 Å²	62.1	20%	0.203	29%	0.29	C	S	.	.			trans	-110.2	124.7	-179.3	-171.8	0	0	0	0	111.7	L248 I249 R250 C255 R256	L248-C252 WeakPolarHBondContact O-CB 3.47Å; L248-C252 PolarHBondContact O-N 2.74Å; I249-C252 PolarHBondContact O-N 2.84Å; I249-C252 VanDerWaalsContact O-N 3.14Å; I249-C252 VanDerWaalsContact O-O 3.06Å; R250-C252 VanDerWaalsContact C-N 3.31Å; C252-C255 HydrophobicContact CB-CB 3.93Å; C252-C255 VanDerWaalsContact SG-SG 3.69Å; C252-R256 WeakPolarHBondContact O-CG 3.38Å; C252-R256 PolarHBondContact O-N 2.84Å; C252-R256 PolarHBondContact O-NE 3.01Å
253	H	94.2	Very high	93	Very high	119 Å²	119	58.8 Å²	58.8	55%	0.551	28%	0.278	S	S	*	.	H	α-helix	trans	-64	-47.1	176.8	65.8	-87.7	0	0	0	111.5	C255 R256 D257	H253-C255 VanDerWaalsContact C-N 3.31Å; H253-C255 PolarHBondContact O-N 2.88Å; H253-R256 WeakPolarHBondContact O-CB 3.48Å; H253-R256 PolarHBondContact O-N 3.41Å; H253-D257 PolarHBondContact O-N 3.38Å
254	R	95.7	Very high	92.6	Very high	120 Å²	120	61.3 Å²	61.3	45%	0.453	29%	0.291	S	S	.	.	H	α-helix	trans	-59	-39	179.8	-62.1	177.2	64.4	-165.1	-1.6	113	P223 L258	P223-R254 HydrophobicContact CB-CB 3.82Å; P223-R254 HydrophobicContact CG-CB 4.09Å; R254-L258 WeakPolarHBondContact O-CG 2.97Å; R254-L258 PolarHBondContact O-N 3.36Å
255	C	94.8	Very high	92	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-67.1	-42.2	176.5	-61.6	0	0	0	0	111.4	L226 I249 C252 H253 L258 V259	L226-C255 HydrophobicContact CD1-CB 3.7Å; I249-C255 HydrophobicContact CB-CB 4.33Å; I249-C255 HydrophobicContact CG1-CB 4.37Å; I249-C255 HydrophobicContact CG2-CB 4.04Å; C252-C255 HydrophobicContact CB-CB 3.93Å; C252-C255 VanDerWaalsContact SG-SG 3.69Å; H253-C255 VanDerWaalsContact C-N 3.31Å; H253-C255 PolarHBondContact O-N 2.88Å; C255-L258 PolarHBondContact O-N 3.24Å; C255-V259 WeakPolarHBondContact O-CG2 3.47Å; C255-V259 PolarHBondContact O-N 2.87Å
256	R	94.9	Very high	91.2	Very high	119 Å²	119	55.6 Å²	55.6	45%	0.449	27%	0.265	S	S	.	.	H	α-helix	trans	-61.6	-44.4	175.7	-72.4	-178	-70.9	161.5	-1.7	111.6	I249 R250 C252 H253 L258 V259 D260	I249-R256 WeakPolarHBondContact O-CG 3.45Å; R250-R256 PolarHBondContact O-NE 3.35Å; C252-R256 WeakPolarHBondContact O-CG 3.38Å; C252-R256 PolarHBondContact O-N 2.84Å; C252-R256 PolarHBondContact O-NE 3.01Å; H253-R256 WeakPolarHBondContact O-CB 3.48Å; H253-R256 PolarHBondContact O-N 3.41Å; R256-L258 VanDerWaalsContact C-N 3.26Å; R256-L258 PolarHBondContact O-N 3.26Å; R256-V259 PolarHBondContact O-N 3.16Å; R256-D260 WeakPolarHBondContact O-CB 3.3Å; R256-D260 VanDerWaalsContact O-CG 3.27Å; R256-D260 PolarHBondContact O-N 3.5Å
257	D	93.4	Very high	90.5	Very high	95 Å²	95	61.5 Å²	61.5	51%	0.508	30%	0.295	S	S	.	.	H	α-helix	trans	-56.4	-40.9	177.3	-59.6	-24.8	0	0	0	111.5	H253 E261	H253-D257 PolarHBondContact O-N 3.38Å; D257-E261 VanDerWaalsContact O-CB 3.3Å; D257-E261 WeakPolarHBondContact O-CB 3.36Å; D257-E261 PolarHBondContact O-N 3.5Å
258	L	93.3	Very high	89.7	Confident	23 Å²	23	58.8 Å²	58.8	12%	0.12	29%	0.286	C	S	.	.	H	α-helix	trans	-68.9	-37	176.6	-70	169	0	0	0	113.3	P223 L226 A227 L231 R254 C255 R256 A262	P223-L258 WeakPolarHBondContact O-CD1 2.96Å; L226-L258 HydrophobicContact CB-CD1 3.66Å; A227-L258 HydrophobicContact CB-CD1 4.33Å; L231-L258 HydrophobicContact CD1-CB 4.16Å; R254-L258 WeakPolarHBondContact O-CG 2.97Å; R254-L258 PolarHBondContact O-N 3.36Å; C255-L258 PolarHBondContact O-N 3.24Å; R256-L258 VanDerWaalsContact C-N 3.26Å; R256-L258 PolarHBondContact O-N 3.26Å; L258-A262 PolarHBondContact O-N 2.94Å; L258-A262 VanDerWaalsContact O-N 3.11Å
259	V	93.3	Very high	88.2	Confident	2 Å²	2	62.9 Å²	62.9	1%	0.012	31%	0.307	C	S	.	.	H	α-helix	trans	-71.4	-39.6	176.5	175	0	0	0	0	110.5	L231 V243 I249 C255 R256 A262 K263	L231-V259 HydrophobicContact CD1-CG2 4.46Å; V243-V259 HydrophobicContact CG1-CG1 4.39Å; V243-V259 HydrophobicContact CG1-CG2 3.57Å; I249-V259 HydrophobicContact CG2-CG2 4.02Å; C255-V259 WeakPolarHBondContact O-CG2 3.47Å; C255-V259 PolarHBondContact O-N 2.87Å; R256-V259 PolarHBondContact O-N 3.16Å; V259-A262 PolarHBondContact O-N 3.27Å; V259-K263 HydrophobicContact CG1-CD 4.44Å; V259-K263 WeakPolarHBondContact O-CG 3.27Å; V259-K263 PolarHBondContact O-N 2.89Å
260	D	90.1	Very high	86.6	Confident	75 Å²	75	70.5 Å²	70.5	40%	0.401	34%	0.343	S	S	.	.	H	α-helix	trans	-67	-39.6	175.9	-68.1	-23.7	0	0	0	110.3	R256 A262 K263 D264	R256-D260 WeakPolarHBondContact O-CB 3.3Å; R256-D260 VanDerWaalsContact O-CG 3.27Å; R256-D260 PolarHBondContact O-N 3.5Å; D260-A262 VanDerWaalsContact C-N 3.32Å; D260-A262 PolarHBondContact O-N 3.32Å; D260-K263 PolarHBondContact O-N 3.48Å; D260-D264 WeakPolarHBondContact O-CB 3.12Å; D260-D264 PolarHBondContact O-N 3.39Å
261	E	89.6	Confident	85.3	Confident	58 Å²	58	70.6 Å²	70.6	27%	0.271	34%	0.343	S	S	.	.	H	α-helix	trans	-56	-44.6	170	-176.3	-168.8	129.8	0	0	111.7	D257 D264 F265 L275 K279	D257-E261 VanDerWaalsContact O-CB 3.3Å; D257-E261 WeakPolarHBondContact O-CB 3.36Å; D257-E261 PolarHBondContact O-N 3.5Å; E261-D264 PolarHBondContact O-N 3.32Å; E261-F265 PolarHBondContact O-N 3.46Å; E261-L275 VanDerWaalsContact CD-CD2 3.49Å; E261-L275 HydrophobicContact CG-CD2 3.48Å; E261-L275 VanDerWaalsContact CG-CD2 3.48Å; E261-L275 WeakPolarHBondContact OE1-CD2 3.45Å; E261-K279 WeakPolarHBondContact OE1-CD 3.16Å; E261-K279 IonicContact OE1-NZ 3.45Å; E261-K279 PolarHBondContact OE1-NZ 3.34Å; E261-K279 IonicContact OE2-NZ 3.58Å; E261-K279 PolarHBondContact OE2-NZ 3.28Å
262	A	88.3	Confident	84.1	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-67.8	-36.8	177.1	0	0	0	0	0	112.8	L231 P232 L239 L258 V259 D260 F265 H266	L231-A262 HydrophobicContact CB-CB 3.63Å; P232-A262 HydrophobicContact CG-CB 4.26Å; L239-A262 HydrophobicContact CD1-CB 3.94Å; L239-A262 HydrophobicContact CD2-CB 4.32Å; L258-A262 PolarHBondContact O-N 2.94Å; L258-A262 VanDerWaalsContact O-N 3.11Å; V259-A262 PolarHBondContact O-N 3.27Å; D260-A262 VanDerWaalsContact C-N 3.32Å; D260-A262 PolarHBondContact O-N 3.32Å; A262-F265 WeakPolarHBondContact O-CB 3.23Å; A262-F265 PolarHBondContact O-N 3.18Å; A262-H266 PolarHBondContact O-CD2 3.17Å
263	K	87.9	Confident	82.3	Confident	33 Å²	33	68.3 Å²	68.3	14%	0.143	32%	0.322	C	S	.	.	H	α-helix	trans	-69.4	-41.7	174.6	-72.6	178.4	175.4	-157.9	0	112.1	L239 S240 V259 D260 F265 H266 L267	L239-K263 HydrophobicContact CB-CG 4.43Å; L239-K263 HydrophobicContact CD1-CG 4.32Å; S240-K263 PolarHBondContact OG-NZ 3.24Å; V259-K263 HydrophobicContact CG1-CD 4.44Å; V259-K263 WeakPolarHBondContact O-CG 3.27Å; V259-K263 PolarHBondContact O-N 2.89Å; D260-K263 PolarHBondContact O-N 3.48Å; K263-F265 PolarHBondContact O-N 3.36Å; K263-H266 PolarHBondContact O-N 3.27Å; K263-L267 WeakPolarHBondContact O-CG 3.36Å; K263-L267 PolarHBondContact O-N 3.18Å
264	D	85.5	Confident	80.9	Confident	52 Å²	52	70.3 Å²	70.3	28%	0.278	33%	0.331	S	S	.	.	H	α-helix	trans	-58.5	-35.7	173.8	-88.2	9.6	0	0	0	111.1	D260 E261 H266 L267 V268 R271	D260-D264 WeakPolarHBondContact O-CB 3.12Å; D260-D264 PolarHBondContact O-N 3.39Å; E261-D264 PolarHBondContact O-N 3.32Å; D264-H266 VanDerWaalsContact C-N 3.29Å; D264-H266 PolarHBondContact O-N 3.34Å; D264-L267 PolarHBondContact O-N 2.81Å; D264-V268 WeakPolarHBondContact O-CA 3.18Å; D264-V268 WeakPolarHBondContact O-CB 3.3Å; D264-V268 PolarHBondContact O-N 3.05Å; D264-R271 IonicContact OD2-CZ 3.62Å; D264-R271 IonicContact OD2-NH1 3.78Å; D264-R271 PolarHBondContact OD2-NH1 3.01Å
265	F	80.7	Confident	79.5	Confident	6 Å²	6	66 Å²	66	3%	0.026	32%	0.317	C	S	.	.	H	α-helix	trans	-56.9	-41.7	172.1	176.1	-98.1	0	0	0	112.1	P232 E261 A262 K263 R272 L275 T280 H455	P232-F265 HydrophobicContact CB-CB 3.99Å; P232-F265 HydrophobicContact CB-CD1 3.62Å; P232-F265 HydrophobicContact CB-CD2 4.16Å; P232-F265 HydrophobicContact CB-CE1 4.08Å; P232-F265 HydrophobicContact CB-CG 3.67Å; P232-F265 VanDerWaalsContact O-CD1 3.27Å; P232-F265 WeakPolarHBondContact O-CD1 3.29Å; P232-F265 VanDerWaalsContact O-CE1 3.3Å; P232-F265 WeakPolarHBondContact O-CE1 3.38Å; E261-F265 PolarHBondContact O-N 3.46Å; A262-F265 WeakPolarHBondContact O-CB 3.23Å; A262-F265 PolarHBondContact O-N 3.18Å; K263-F265 PolarHBondContact O-N 3.36Å; F265-R272 HydrophobicContact CD2-CB 3.94Å; F265-R272 HydrophobicContact CD2-CG 3.45Å; F265-R272 VanDerWaalsContact CD2-CG 3.45Å; F265-R272 HydrophobicContact CE2-CB 3.89Å; F265-R272 HydrophobicContact CE2-CG 3.65Å; F265-R272 HydrophobicContact CG-CG 4.25Å; F265-R272 PolarHBondContact O-NE 2.65Å; F265-R272 PolarHBondContact O-NH2 3.41Å; F265-L275 HydrophobicContact CB-CD1 3.95Å; F265-L275 HydrophobicContact CD2-CD1 3.53Å; F265-L275 HydrophobicContact CE2-CD1 4.47Å; F265-L275 HydrophobicContact CG-CD1 4.18Å; F265-T280 HydrophobicContact CD2-CG2 4.09Å; F265-T280 HydrophobicContact CE2-CG2 3.59Å; F265-T280 HydrophobicContact CZ-CG2 4.25Å; F265-H455 AromaticContact CE2-NE2 3.83Å; F265-H455 AromaticContact CZ-NE2 3.88Å
266	H	77.8	Confident	78.1	Confident	55 Å²	55	69.6 Å²	69.6	26%	0.255	34%	0.341	S	S	.	.	H	α-helix	trans	-76.7	-29.8	177.7	-63.1	-71.4	0	0	0	113.6	P232 C234 P236 A262 K263 D264	P232-H266 PolarHBondContact O-CE1 2.91Å; P232-H266 VanDerWaalsContact O-CE1 3.22Å; P232-H266 PolarHBondContact O-NE2 2.92Å; C234-H266 PolarHBondContact O-CE1 2.66Å; C234-H266 PolarHBondContact O-NE2 3.45Å; C234-H266 VanDerWaalsContact O-NE2 3.14Å; P236-H266 HydrophobicContact CG-CB 4.29Å; A262-H266 PolarHBondContact O-CD2 3.17Å; K263-H266 PolarHBondContact O-N 3.27Å; D264-H266 VanDerWaalsContact C-N 3.29Å; D264-H266 PolarHBondContact O-N 3.34Å
267	L	78.9	Confident	76.4	Confident	137 Å²	137	66.8 Å²	66.8	72%	0.717	34%	0.339	S	S	*	.	H	α-helix	trans	-95.5	-28.9	-172	-64.5	171.6	0	0	0	114	K263 D264	K263-L267 WeakPolarHBondContact O-CG 3.36Å; K263-L267 PolarHBondContact O-N 3.18Å; D264-L267 PolarHBondContact O-N 2.81Å
268	V	76.8	Confident	75.1	Confident	47 Å²	47	64.9 Å²	64.9	29%	0.285	33%	0.326	S	S	.	.			trans	-126.3	86.6	-171.7	-169.5	0	0	0	0	110.3	D264 E270 R271	D264-V268 WeakPolarHBondContact O-CA 3.18Å; D264-V268 WeakPolarHBondContact O-CB 3.3Å; D264-V268 PolarHBondContact O-N 3.05Å; V268-E270 PolarHBondContact O-N 3.4Å; V268-E270 VanDerWaalsContact O-N 3.15Å; V268-R271 HydrophobicContact CB-CB 4.47Å; V268-R271 HydrophobicContact CB-CG 4.35Å; V268-R271 HydrophobicContact CG1-CB 4.24Å; V268-R271 HydrophobicContact CG1-CG 3.75Å; V268-R271 PolarHBondContact O-N 3.41Å; V268-R271 VanDerWaalsContact O-N 3.08Å
269	L	62.8	Low	74.2	Confident	100 Å²	100	64.9 Å²	64.9	52%	0.524	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-53.9	-36	-177.4	-63.3	177	0	0	0	113.3	R271 R272	L269-R271 VanDerWaalsContact C-N 3.27Å; L269-R271 PolarHBondContact O-N 2.95Å; L269-R272 VanDerWaalsContact CD2-NH2 3.28Å; L269-R272 WeakPolarHBondContact O-CG 3.5Å; L269-R272 PolarHBondContact O-N 3.21Å
270	E	60.6	Low	72.9	Confident	163 Å²	163	65.4 Å²	65.4	76%	0.762	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-65.6	-23.4	-179	-62.6	-179.1	171.9	0	0	114.3	V268 P273	V268-E270 PolarHBondContact O-N 3.4Å; V268-E270 VanDerWaalsContact O-N 3.15Å; E270-P273 VanDerWaalsContact O-CD 3.29Å; E270-P273 WeakPolarHBondContact O-CD 3.32Å
271	R	65.6	Low	71.9	Confident	144 Å²	144	66 Å²	66	54%	0.543	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-85.7	-19.6	-178.3	-73.5	-178	179.3	-172.7	-2.1	113.2	D264 V268 L269 H274	D264-R271 IonicContact OD2-CZ 3.62Å; D264-R271 IonicContact OD2-NH1 3.78Å; D264-R271 PolarHBondContact OD2-NH1 3.01Å; V268-R271 HydrophobicContact CB-CB 4.47Å; V268-R271 HydrophobicContact CB-CG 4.35Å; V268-R271 HydrophobicContact CG1-CB 4.24Å; V268-R271 HydrophobicContact CG1-CG 3.75Å; V268-R271 PolarHBondContact O-N 3.41Å; V268-R271 VanDerWaalsContact O-N 3.08Å; L269-R271 VanDerWaalsContact C-N 3.27Å; L269-R271 PolarHBondContact O-N 2.95Å; R271-H274 WeakPolarHBondContact O-CB 3.29Å; R271-H274 PolarHBondContact O-N 2.87Å
272	R	67.4	Low	70.8	Confident	36 Å²	36	67.1 Å²	67.1	14%	0.136	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-55.3	-36.4	-177.1	-56.4	-173.6	173.1	-170.1	3.5	115.7	F265 L269 H274 L275 H455	F265-R272 HydrophobicContact CD2-CB 3.94Å; F265-R272 HydrophobicContact CD2-CG 3.45Å; F265-R272 VanDerWaalsContact CD2-CG 3.45Å; F265-R272 HydrophobicContact CE2-CB 3.89Å; F265-R272 HydrophobicContact CE2-CG 3.65Å; F265-R272 HydrophobicContact CG-CG 4.25Å; F265-R272 PolarHBondContact O-NE 2.65Å; F265-R272 PolarHBondContact O-NH2 3.41Å; L269-R272 VanDerWaalsContact CD2-NH2 3.28Å; L269-R272 WeakPolarHBondContact O-CG 3.5Å; L269-R272 PolarHBondContact O-N 3.21Å; R272-H274 PolarHBondContact O-N 3.39Å; R272-L275 WeakPolarHBondContact O-CB 2.9Å; R272-L275 PolarHBondContact O-N 2.7Å; R272-H455 HydrophobicContact CB-CB 3.81Å; R272-H455 WeakPolarHBondContact CD-CD2 3.3Å; R272-H455 WeakPolarHBondContact CD-NE2 3.45Å; R272-H455 PolarHBondContact NH1-CD2 3.16Å; R272-H455 VanDerWaalsContact NH1-CD2 3.32Å; R272-H455 PolarHBondContact NH1-NE2 3.05Å
273	P	56.3	Low	70.2	Confident	51 Å²	51	68.5 Å²	68.5	33%	0.331	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-66.7	-19.4	176.9	-18.4	32	0	0	0	114.2	E270 L275 H455 T456	E270-P273 VanDerWaalsContact O-CD 3.29Å; E270-P273 WeakPolarHBondContact O-CD 3.32Å; P273-L275 VanDerWaalsContact C-N 3.3Å; P273-H455 HydrophobicContact CG-CB 4.21Å; P273-T456 HydrophobicContact CB-CG2 4.26Å; P273-T456 HydrophobicContact CG-CG2 3.31Å
274	H	66.4	Low	69.2	Low	161 Å²	161	70.6 Å²	70.6	75%	0.745	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-86.3	-7.1	179.8	-56.9	84.9	0	0	0	111.9	R271 R272	R271-H274 WeakPolarHBondContact O-CB 3.29Å; R271-H274 PolarHBondContact O-N 2.87Å; R272-H274 PolarHBondContact O-N 3.39Å
275	L	65.7	Low	68.3	Low	30 Å²	30	68.8 Å²	68.8	16%	0.157	35%	0.352	C	S	.	.	S	Bend	trans	-83.3	144.1	175.7	-71.7	164.9	0	0	0	110.9	E261 F265 R272 P273 S277 T280	E261-L275 VanDerWaalsContact CD-CD2 3.49Å; E261-L275 HydrophobicContact CG-CD2 3.48Å; E261-L275 VanDerWaalsContact CG-CD2 3.48Å; E261-L275 WeakPolarHBondContact OE1-CD2 3.45Å; F265-L275 HydrophobicContact CB-CD1 3.95Å; F265-L275 HydrophobicContact CD2-CD1 3.53Å; F265-L275 HydrophobicContact CE2-CD1 4.47Å; F265-L275 HydrophobicContact CG-CD1 4.18Å; R272-L275 WeakPolarHBondContact O-CB 2.9Å; R272-L275 PolarHBondContact O-N 2.7Å; P273-L275 VanDerWaalsContact C-N 3.3Å; L275-S277 PolarHBondContact O-N 3.5Å; L275-T280 HydrophobicContact CB-CG2 3.98Å; L275-T280 HydrophobicContact CD1-CG2 4.4Å
276	P	64.3	Low	67.4	Low	75 Å²	75	70.8 Å²	70.8	49%	0.487	37%	0.365	S	S	.	.			trans	-57.9	133.7	174.5	-22.7	32.9	0	0	0	111.5	F278 K279	P276-F278 PolarHBondContact O-N 2.92Å; P276-F278 VanDerWaalsContact O-N 3.09Å; P276-K279 PolarHBondContact O-N 3.2Å
277	S	59.3	Low	66.7	Low	59 Å²	59	69.9 Å²	69.9	41%	0.413	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-57.6	-29	-177.5	59.9	0	0	0	0	113.6	L275 K279 T280 R281 D431	L275-S277 PolarHBondContact O-N 3.5Å; S277-K279 VanDerWaalsContact C-N 3.31Å; S277-K279 PolarHBondContact O-N 3.24Å; S277-T280 PolarHBondContact O-N 3.26Å; S277-T280 PolarHBondContact O-OG1 3.11Å; S277-R281 PolarHBondContact O-N 3.46Å; S277-D431 PolarHBondContact OG-OD1 3.47Å
278	F	66.4	Low	66	Low	56 Å²	56	64.1 Å²	64.1	25%	0.246	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-57.3	-39.1	172.8	170.3	-95	0	0	0	113.1	D193 K228 R230 P276 T280	D193-F278 WeakPolarHBondContact OD1-CE2 3.44Å; K228-F278 WeakPolarHBondContact O-CE1 3.5Å; K228-F278 WeakPolarHBondContact O-CZ 3.32Å; R230-F278 VanDerWaalsContact CD-O 3.3Å; R230-F278 WeakPolarHBondContact CD-O 3.43Å; R230-F278 HydrophobicContact CG-CE1 4.29Å; R230-F278 HydrophobicContact CG-CZ 4.45Å; R230-F278 PolarHBondContact NE-O 3.35Å; P276-F278 PolarHBondContact O-N 2.92Å; P276-F278 VanDerWaalsContact O-N 3.09Å; F278-T280 VanDerWaalsContact C-N 3.3Å; F278-T280 PolarHBondContact O-N 2.87Å
279	K	74	Confident	65.8	Low	23 Å²	23	62.6 Å²	62.6	10%	0.1	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-78.3	-15	-176.4	-70.6	-166	179.3	-175.9	0	113.5	P232 E261 P276 S277	P232-K279 HydrophobicContact CG-CB 4.24Å; E261-K279 WeakPolarHBondContact OE1-CD 3.16Å; E261-K279 IonicContact OE1-NZ 3.45Å; E261-K279 PolarHBondContact OE1-NZ 3.34Å; E261-K279 IonicContact OE2-NZ 3.58Å; E261-K279 PolarHBondContact OE2-NZ 3.28Å; P276-K279 PolarHBondContact O-N 3.2Å; S277-K279 VanDerWaalsContact C-N 3.31Å; S277-K279 PolarHBondContact O-N 3.24Å
280	T	67.8	Low	66.8	Low	13 Å²	13	57.9 Å²	57.9	8%	0.08	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-118.3	14	-170.7	64.6	0	0	0	0	112.7	F265 L275 S277 F278	F265-T280 HydrophobicContact CD2-CG2 4.09Å; F265-T280 HydrophobicContact CE2-CG2 3.59Å; F265-T280 HydrophobicContact CZ-CG2 4.25Å; L275-T280 HydrophobicContact CB-CG2 3.98Å; L275-T280 HydrophobicContact CD1-CG2 4.4Å; S277-T280 PolarHBondContact O-N 3.26Å; S277-T280 PolarHBondContact O-OG1 3.11Å; F278-T280 VanDerWaalsContact C-N 3.3Å; F278-T280 PolarHBondContact O-N 2.87Å
281	R	68.1	Low	68.2	Low	87 Å²	87	51.7 Å²	51.7	33%	0.328	27%	0.274	S	S	.	.	S	Bend	trans	-118.6	133	176.9	-176.1	177.7	70.5	-167.3	2.3	109.6	D193 R230 L233 S277	D193-R281 IonicContact OD2-CZ 3.96Å; D193-R281 IonicContact OD2-NE 2.82Å; D193-R281 IonicContact OD2-NH2 3.46Å; D193-R281 PolarHBondContact OD2-NH2 3.01Å; R230-R281 WeakPolarHBondContact CD-O 3.31Å; R230-R281 PolarHBondContact NH1-O 3.32Å; L233-R281 WeakPolarHBondContact CD1-O 3.23Å; S277-R281 PolarHBondContact O-N 3.46Å
282	P	65.7	Low	69.7	Low	81 Å²	81	44.9 Å²	44.9	53%	0.526	25%	0.248	S	C	.	.			trans	-57.8	153.4	172.2	-26.1	35.5	0	0	0	113.5	R230	R230-P282 PolarHBondContact NH1-O 2.82Å
283	R	75.4	Confident	71.1	Confident	30 Å²	30	43.7 Å²	43.7	11%	0.113	24%	0.244	C	C	.	.			trans	-65.2	147.9	174.7	-68.2	-174.2	-169.3	-102.8	-0.4	110	M190 C192 D193 V197 E200	M190-R283 VanDerWaalsContact O-CZ 3.3Å; M190-R283 PolarHBondContact O-NH1 3.12Å; M190-R283 PolarHBondContact O-NH2 3.16Å; C192-R283 PolarHBondContact O-NH1 3.14Å; D193-R283 WeakPolarHBondContact O-CB 3.5Å; V197-R283 HydrophobicContact CG2-CB 4.41Å; E200-R283 IonicContact OE1-CZ 3.16Å; E200-R283 IonicContact OE1-NE 3.7Å; E200-R283 PolarHBondContact OE1-NE 3.41Å; E200-R283 IonicContact OE1-NH2 3.75Å; E200-R283 PolarHBondContact OE1-NH2 3.45Å; E200-R283 IonicContact OE2-CZ 3.45Å; E200-R283 IonicContact OE2-NE 2.88Å; E200-R283 PolarHBondContact OE2-NE 2.95Å; E200-R283 IonicContact OE2-NH2 3.59Å
284	C	67.1	Low	73.1	Confident	76 Å²	76	41.3 Å²	41.3	51%	0.514	23%	0.228	S	C	.	.			trans	-130.4	88	-174.9	-171.8	0	0	0	0	109	D193 T286	D193-C284 CarbonylContact O-C 3.57Å; D193-C284 PolarHBondContact O-N 2.8Å; C284-T286 PolarHBondContact O-N 3.22Å
285	C	66.6	Low	74.6	Confident	14 Å²	14	33.6 Å²	33.6	10%	0.095	19%	0.192	C	C	.	.			trans	-72.1	100.1	173.2	-171.2	0	0	0	0	109.9	E194 N196 S287 V288	E194-C285 VanDerWaalsContact O-CB 3.29Å; E194-C285 WeakPolarHBondContact O-CB 3.33Å; E194-C285 PolarHBondContact O-SG 3.48Å; N196-C285 HydrophobicContact CB-CB 4Å; C285-S287 PolarHBondContact O-N 3.05Å; C285-V288 HydrophobicContact CB-CG2 4.19Å; C285-V288 PolarHBondContact O-N 3.48Å
286	T	63.3	Low	76	Confident	49 Å²	49	32.2 Å²	32.2	30%	0.301	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-7.9	174.9	54.9	0	0	0	0	113	C284 A525 G526	C284-T286 PolarHBondContact O-N 3.22Å; T286-A525 CarbonylContact O-C 3.6Å; T286-A525 WeakPolarHBondContact O-CA 3.48Å; T286-G526 PolarHBondContact O-N 3.41Å; T286-G526 VanDerWaalsContact O-N 3.08Å
287	S	62.3	Low	77.4	Confident	35 Å²	35	28.6 Å²	28.6	25%	0.245	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-12.2	-179.6	-82.1	0	0	0	0	114	R167 C285	R167-S287 PolarHBondContact NE-O 3.13Å; C285-S287 PolarHBondContact O-N 3.05Å
288	V	64.5	Low	78.9	Confident	16 Å²	16	26.2 Å²	26.2	10%	0.097	14%	0.144	C	C	.	.	S	Bend	trans	-91.3	122.9	176	175.9	0	0	0	0	108.7	R167 N196 C285 G290 L573	R167-V288 HydrophobicContact CG-CG2 4.45Å; N196-V288 HydrophobicContact CB-CG2 4.11Å; C285-V288 HydrophobicContact CB-CG2 4.19Å; C285-V288 PolarHBondContact O-N 3.48Å; V288-G290 PolarHBondContact O-N 3.29Å; V288-L573 HydrophobicContact CG1-CB 4.49Å; V288-L573 WeakPolarHBondContact CG1-O 2.99Å
289	S	71.7	Confident	79.9	Confident	16 Å²	16	25.2 Å²	25.2	11%	0.112	14%	0.141	C	C	.	.	P	Polyproline II helix	trans	-72.9	122.4	172.2	-164.8	0	0	0	0	109.2	L573	S289-L573 VanDerWaalsContact O-CB 3.26Å; S289-L573 WeakPolarHBondContact O-CB 3.5Å; S289-L573 WeakPolarHBondContact O-CD1 3.36Å; S289-L573 WeakPolarHBondContact O-CG 3.25Å; S289-L573 PolarHBondContact O-N 2.82Å
290	G	83.9	Confident	80.3	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	143.5	163	0	0	0	0	0	111	V288 T524 C570 V571	V288-G290 PolarHBondContact O-N 3.29Å; G290-T524 WeakPolarHBondContact CA-OG1 3.5Å; G290-T524 PolarHBondContact N-OG1 2.96Å; G290-T524 PolarHBondContact O-OG1 3.38Å; G290-C570 VanDerWaalsContact CA-SG 3.59Å; G290-V571 CarbonylContact C-O 3.56Å; G290-V571 WeakPolarHBondContact CA-O 3.4Å
291	L	91.1	Very high	81.1	Confident	34 Å²	34	32.5 Å²	32.5	18%	0.178	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	137.1	171.7	-62.1	-179.8	0	0	0	109.6	Y293 V310 F311 D312 C570 V571 L573	L291-Y293 HydrophobicContact CB-CE2 3.91Å; L291-V310 HydrophobicContact CB-CG2 3.6Å; L291-V310 HydrophobicContact CD1-CG2 3.91Å; L291-V310 HydrophobicContact CG-CG2 4.21Å; L291-F311 WeakPolarHBondContact CA-O 3.27Å; L291-D312 HydrophobicContact CD2-CB 3.97Å; L291-C570 CarbonylContact O-C 3.54Å; L291-C570 VanDerWaalsContact O-CA 3.31Å; L291-C570 WeakPolarHBondContact O-CA 3.42Å; L291-V571 PolarHBondContact N-O 3.07Å; L291-V571 PolarHBondContact O-N 2.86Å; L291-L573 HydrophobicContact CD1-CD2 3.78Å; L291-L573 HydrophobicContact CD2-CD1 4.39Å; L291-L573 HydrophobicContact CD2-CD2 4.29Å; L291-L573 HydrophobicContact CG-CD2 3.71Å; L291-L573 HydrophobicContact CG-CG 4.1Å
292	I	96.3	Very high	81.9	Confident	1 Å²	1	30.3 Å²	30.3	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	118.1	-180	-64.1	171.7	0	0	0	108.4	V310 F311 P313 W318 V522 T524 Y529 V531 V568	I292-V310 CarbonylContact O-C 3.55Å; I292-V310 WeakPolarHBondContact O-CA 3.02Å; I292-F311 HydrophobicContact CB-CB 4.17Å; I292-F311 HydrophobicContact CB-CD1 4.41Å; I292-F311 HydrophobicContact CD1-CD1 4.15Å; I292-F311 PolarHBondContact N-O 3.08Å; I292-F311 PolarHBondContact O-N 3.01Å; I292-P313 HydrophobicContact CD1-CG 4.39Å; I292-W318 HydrophobicContact CG2-CH2 4.45Å; I292-V522 HydrophobicContact CD1-CG1 3.74Å; I292-V522 HydrophobicContact CG1-CG1 4.07Å; I292-V522 HydrophobicContact CG2-CG1 4.03Å; I292-T524 HydrophobicContact CD1-CG2 3.73Å; I292-T524 HydrophobicContact CG1-CG2 3.98Å; I292-Y529 HydrophobicContact CD1-CD1 4.06Å; I292-Y529 HydrophobicContact CD1-CD2 3.81Å; I292-Y529 HydrophobicContact CD1-CE2 4.3Å; I292-Y529 HydrophobicContact CD1-CG 3.69Å; I292-V531 HydrophobicContact CG2-CG2 4.39Å; I292-V568 HydrophobicContact CG2-CG1 3.47Å; I292-V568 VanDerWaalsContact CG2-CG1 3.47Å
293	Y	97.4	Very high	83	Confident	11 Å²	11	30.9 Å²	30.9	4%	0.043	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	123.7	176.3	-70.9	-98.6	0	0	0	110.2	L291 V308 E309 V310 L340 Y358 V568 G569 V571	L291-Y293 HydrophobicContact CB-CE2 3.91Å; Y293-V308 HydrophobicContact CD1-CG1 4.16Å; Y293-E309 CarbonylContact C-O 3.55Å; Y293-E309 WeakPolarHBondContact CA-O 3.38Å; Y293-V310 HydrophobicContact CD1-CB 3.88Å; Y293-V310 HydrophobicContact CD1-CG2 4.07Å; Y293-V310 HydrophobicContact CD2-CG2 4.11Å; Y293-V310 HydrophobicContact CE1-CB 3.62Å; Y293-V310 HydrophobicContact CE1-CG2 3.67Å; Y293-V310 HydrophobicContact CE2-CG2 3.7Å; Y293-V310 HydrophobicContact CG-CB 4.44Å; Y293-V310 HydrophobicContact CG-CG2 4.27Å; Y293-V310 VanDerWaalsContact CZ-CG2 3.46Å; Y293-L340 HydrophobicContact CD1-CD2 3.9Å; Y293-L340 HydrophobicContact CG-CD2 3.81Å; Y293-Y358 HydrophobicContact CD1-CE1 4.34Å; Y293-Y358 HydrophobicContact CE1-CD1 4.4Å; Y293-Y358 AromaticContact CE1-CE1 3.7Å; Y293-Y358 HydrophobicContact CE1-CE1 3.7Å; Y293-V568 VanDerWaalsContact O-CA 3.25Å; Y293-V568 WeakPolarHBondContact O-CA 3.27Å; Y293-G569 PolarHBondContact N-O 2.82Å; Y293-G569 PolarHBondContact O-N 3.14Å; Y293-G569 VanDerWaalsContact O-N 3.08Å; Y293-V571 HydrophobicContact CD2-CB 4.33Å; Y293-V571 HydrophobicContact CD2-CG2 3.76Å; Y293-V571 HydrophobicContact CE2-CB 3.84Å; Y293-V571 HydrophobicContact CE2-CG2 3.55Å
294	A	97.3	Very high	84	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	126	167	0	0	0	0	0	109.1	V308 E309 W318 M559 H562 V566	A294-V308 VanDerWaalsContact O-CA 3.32Å; A294-V308 WeakPolarHBondContact O-CA 3.19Å; A294-E309 PolarHBondContact N-O 3.2Å; A294-E309 PolarHBondContact O-N 3.35Å; A294-W318 HydrophobicContact CB-CH2 3.89Å; A294-W318 HydrophobicContact CB-CZ3 3.6Å; A294-M559 HydrophobicContact CB-SD 3.77Å; A294-H562 PolarHBondContact O-CE1 2.85Å; A294-V566 HydrophobicContact CB-CB 4.23Å; A294-V566 HydrophobicContact CB-CG1 4.36Å; A294-V566 HydrophobicContact CB-CG2 4.1Å
295	V	97.8	Very high	85.3	Confident	0 Å²	0	28 Å²	28	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	126.7	-170.9	-174.7	0	0	0	0	110.3	G297 V308 M324 V331 V333 L340 A342 W365 G567	V295-G297 PolarHBondContact O-N 3.08Å; V295-V308 HydrophobicContact CG2-CG1 4.43Å; V295-M324 HydrophobicContact CG1-CE 3.57Å; V295-M324 HydrophobicContact CG1-CG 4.5Å; V295-M324 HydrophobicContact CG1-SD 3.4Å; V295-M324 WeakPolarHBondContact CG1-SD 3.49Å; V295-V331 WeakPolarHBondContact O-CG1 3.2Å; V295-V333 HydrophobicContact CB-CG2 3.84Å; V295-V333 HydrophobicContact CG1-CG2 4.31Å; V295-V333 HydrophobicContact CG2-CG1 4.27Å; V295-V333 HydrophobicContact CG2-CG2 4.1Å; V295-L340 HydrophobicContact CG2-CD1 4.43Å; V295-L340 HydrophobicContact CG2-CD2 3.7Å; V295-L340 HydrophobicContact CG2-CG 4.34Å; V295-A342 HydrophobicContact CG1-CB 4.05Å; V295-W365 HydrophobicContact CG1-CH2 4.4Å; V295-G567 PolarHBondContact N-O 3.2Å; V295-G567 PolarHBondContact O-N 3.34Å
296	G	96.4	Very high	86.7	Confident	0 Å²	0	30 Å²	30	0%	0	19%	0.191	C	C	.	.	S	Bend	trans	68.7	-125.1	172.3	0	0	0	0	0	113.1	L305 L307 R328 H562	G296-L305 WeakPolarHBondContact CA-O 3.37Å; G296-L307 PolarHBondContact N-O 3.47Å; G296-R328 CarbonylContact C-O 2.98Å; G296-R328 VanDerWaalsContact CA-O 3.24Å; G296-R328 WeakPolarHBondContact CA-O 3.38Å; G296-H562 PolarHBondContact O-CD2 3.17Å; G296-H562 PolarHBondContact O-NE2 3.39Å; G296-H562 VanDerWaalsContact O-NE2 3.12Å
297	G	93.4	Very high	88.3	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	19%	0.188	C	C	.	.			trans	85.7	-152.9	178.7	0	0	0	0	0	113.8	V295 L305 R328 S329 G565	V295-G297 PolarHBondContact O-N 3.08Å; G297-L305 PolarHBondContact O-N 3Å; G297-L305 VanDerWaalsContact O-N 3.1Å; G297-R328 PolarHBondContact N-O 2.84Å; G297-S329 WeakPolarHBondContact O-CB 3.3Å; G297-G565 WeakPolarHBondContact CA-O 3.46Å
298	L	89.9	Confident	89.9	Confident	9 Å²	9	28 Å²	28	5%	0.047	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-131	146.1	-169.8	-63.5	167.3	0	0	0	111.6	G302 D303 S329 G564	L298-G302 WeakPolarHBondContact CD2-O 3.27Å; L298-D303 VanDerWaalsContact CA-O 3.31Å; L298-D303 WeakPolarHBondContact CA-O 3.2Å; L298-S329 VanDerWaalsContact CD2-CB 3.41Å; L298-G564 PolarHBondContact N-O 2.71Å
299	N	86.9	Confident	91.4	Very high	35 Å²	35	27.4 Å²	27.4	19%	0.187	17%	0.172	C	C	.	.			trans	-85.8	-179.2	162.6	72.1	10.4	0	0	0	111.1	S301 G302 D303 L305 N539	N299-S301 VanDerWaalsContact C-N 3.27Å; N299-S301 PolarHBondContact O-N 2.98Å; N299-S301 WeakPolarHBondContact OD1-CA 3.29Å; N299-S301 WeakPolarHBondContact OD1-CB 3.39Å; N299-S301 PolarHBondContact OD1-N 2.85Å; N299-G302 WeakPolarHBondContact O-CA 3.2Å; N299-G302 PolarHBondContact O-N 3.22Å; N299-G302 PolarHBondContact OD1-N 3.5Å; N299-D303 PolarHBondContact N-O 3.45Å; N299-D303 VanDerWaalsContact N-O 3.14Å; N299-D303 PolarHBondContact ND2-OD2 2.92Å; N299-D303 VanDerWaalsContact ND2-OD2 3.07Å; N299-D303 PolarHBondContact OD1-N 3.2Å; N299-L305 HydrophobicContact CB-CD1 4.3Å; N299-L305 HydrophobicContact CB-CD2 4.25Å; N299-L305 HydrophobicContact CB-CG 4.48Å; N299-N539 PolarHBondContact O-ND2 2.8Å; N299-N539 VanDerWaalsContact O-ND2 3.07Å
300	S	83.2	Confident	92.5	Very high	92 Å²	92	27.4 Å²	27.4	64%	0.643	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-27.6	180	38	0	0	0	0	112.7	G302 E563	S300-G302 VanDerWaalsContact C-N 3.27Å; S300-E563 VanDerWaalsContact CA-OE2 3.25Å; S300-E563 WeakPolarHBondContact CA-OE2 3.13Å; S300-E563 WeakPolarHBondContact CB-OE2 3.42Å; S300-E563 PolarHBondContact N-OE2 2.76Å; S300-E563 PolarHBondContact OG-OE2 3Å
301	S	85.6	Confident	93	Very high	96 Å²	96	27.4 Å²	27.4	67%	0.671	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-13.4	171.4	-54.2	0	0	0	0	112.9	N299	N299-S301 VanDerWaalsContact C-N 3.27Å; N299-S301 PolarHBondContact O-N 2.98Å; N299-S301 WeakPolarHBondContact OD1-CA 3.29Å; N299-S301 WeakPolarHBondContact OD1-CB 3.39Å; N299-S301 PolarHBondContact OD1-N 2.85Å
302	G	83.2	Confident	92.8	Very high	42 Å²	42	27.6 Å²	27.6	43%	0.433	17%	0.173	S	C	.	.			trans	85.9	14.2	-177.2	0	0	0	0	0	114.4	L298 N299 S300	L298-G302 WeakPolarHBondContact CD2-O 3.27Å; N299-G302 WeakPolarHBondContact O-CA 3.2Å; N299-G302 PolarHBondContact O-N 3.22Å; N299-G302 PolarHBondContact OD1-N 3.5Å; S300-G302 VanDerWaalsContact C-N 3.27Å
303	D	90.6	Very high	92.3	Very high	92 Å²	92	28.2 Å²	28.2	49%	0.492	18%	0.177	S	C	.	.			trans	-76.5	147.3	174.1	-53.2	-52	0	0	0	110.8	L298 N299	L298-D303 VanDerWaalsContact CA-O 3.31Å; L298-D303 WeakPolarHBondContact CA-O 3.2Å; N299-D303 PolarHBondContact N-O 3.45Å; N299-D303 VanDerWaalsContact N-O 3.14Å; N299-D303 PolarHBondContact ND2-OD2 2.92Å; N299-D303 VanDerWaalsContact ND2-OD2 3.07Å; N299-D303 PolarHBondContact OD1-N 3.2Å
304	S	94.6	Very high	91.6	Very high	17 Å²	17	33.2 Å²	33.2	12%	0.119	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-75.7	139.2	177.5	-58.9	0	0	0	0	110.5	A327 S329 Y346	S304-A327 WeakPolarHBondContact O-CB 3.49Å; S304-S329 WeakPolarHBondContact OG-CB 3.11Å; S304-S329 PolarHBondContact OG-OG 2.91Å; S304-Y346 WeakPolarHBondContact CB-O 3.23Å; S304-Y346 PolarHBondContact OG-O 2.85Å
305	L	95.4	Very high	90.5	Very high	28 Å²	28	35.2 Å²	35.2	15%	0.147	23%	0.229	C	C	.	.			trans	-107.4	150.3	-178.1	-63.6	173.2	0	0	0	111.4	G296 G297 N299 L307 A327 R328	G296-L305 WeakPolarHBondContact CA-O 3.37Å; G297-L305 PolarHBondContact O-N 3Å; G297-L305 VanDerWaalsContact O-N 3.1Å; N299-L305 HydrophobicContact CB-CD1 4.3Å; N299-L305 HydrophobicContact CB-CD2 4.25Å; N299-L305 HydrophobicContact CB-CG 4.48Å; L305-L307 HydrophobicContact CB-CG 4.43Å; L305-L307 HydrophobicContact CD1-CD1 4.34Å; L305-L307 HydrophobicContact CD2-CD1 4.42Å; L305-A327 CarbonylContact O-C 2.82Å; L305-A327 WeakPolarHBondContact O-CA 3.3Å; L305-R328 PolarHBondContact O-N 2.79Å
306	N	96.4	Very high	89.9	Confident	56 Å²	56	38.3 Å²	38.3	30%	0.299	25%	0.246	S	C	.	.			trans	-101.7	9.3	168.8	69.7	-29.2	0	0	0	112.7	P323 M324 A327	N306-P323 CarbonylContact O-C 3.55Å; N306-P323 WeakPolarHBondContact O-CA 3.45Å; N306-P323 WeakPolarHBondContact O-CB 3.12Å; N306-M324 HydrophobicContact CB-CB 4.24Å; N306-M324 WeakPolarHBondContact CB-O 3.45Å; N306-M324 PolarHBondContact ND2-O 2.85Å; N306-M324 PolarHBondContact O-N 2.88Å; N306-A327 HydrophobicContact CB-CB 4.17Å
307	L	95.8	Very high	89.5	Confident	42 Å²	42	42.5 Å²	42.5	22%	0.22	26%	0.264	C	S	.	.			trans	-72.2	154.5	-174	-63.4	179.1	0	0	0	112	G296 L305 H562	G296-L307 PolarHBondContact N-O 3.47Å; L305-L307 HydrophobicContact CB-CG 4.43Å; L305-L307 HydrophobicContact CD1-CD1 4.34Å; L305-L307 HydrophobicContact CD2-CD1 4.42Å; L307-H562 PolarHBondContact O-NE2 3.1Å
308	V	96.8	Very high	89.5	Confident	2 Å²	2	43.7 Å²	43.7	1%	0.012	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	128.8	176.9	-174.3	0	0	0	0	107.1	Y293 A294 V295 C321 M324 W365	Y293-V308 HydrophobicContact CD1-CG1 4.16Å; A294-V308 VanDerWaalsContact O-CA 3.32Å; A294-V308 WeakPolarHBondContact O-CA 3.19Å; V295-V308 HydrophobicContact CG2-CG1 4.43Å; V308-C321 HydrophobicContact CB-CB 4.12Å; V308-C321 HydrophobicContact CG1-CB 3.93Å; V308-C321 PolarHBondContact O-N 3Å; V308-M324 HydrophobicContact CG2-CG 4.07Å; V308-W365 HydrophobicContact CG1-CZ2 4.41Å; V308-W365 HydrophobicContact CG2-CZ2 3.51Å
309	E	95.3	Very high	89.6	Confident	2 Å²	2	48.7 Å²	48.7	1%	0.009	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	145.9	173.4	-64.1	-176.4	116.9	0	0	109.5	Y293 A294 W318 E319 R320 A560 S561 H562	Y293-E309 CarbonylContact C-O 3.55Å; Y293-E309 WeakPolarHBondContact CA-O 3.38Å; A294-E309 PolarHBondContact N-O 3.2Å; A294-E309 PolarHBondContact O-N 3.35Å; E309-W318 HydrophobicContact CB-CE3 3.67Å; E309-W318 HydrophobicContact CB-CZ3 4.19Å; E309-E319 CarbonylContact C-O 3.56Å; E309-E319 WeakPolarHBondContact CA-O 3.23Å; E309-E319 WeakPolarHBondContact CB-O 3.45Å; E309-R320 HydrophobicContact CG-CG 4.19Å; E309-A560 WeakPolarHBondContact OE1-CB 3.31Å; E309-A560 PolarHBondContact OE2-N 3.19Å; E309-S561 VanDerWaalsContact CD-N 3.3Å; E309-S561 WeakPolarHBondContact OE1-CB 3.14Å; E309-S561 PolarHBondContact OE1-N 2.8Å; E309-S561 PolarHBondContact OE1-OG 3.17Å; E309-S561 WeakPolarHBondContact OE2-CA 3.47Å; E309-S561 WeakPolarHBondContact OE2-CB 3.38Å; E309-S561 PolarHBondContact OE2-N 2.95Å; E309-H562 IonicContact OE2-CE1 3.91Å; E309-H562 IonicContact OE2-CG 3.67Å; E309-H562 PolarHBondContact OE2-N 3.27Å; E309-H562 IonicContact OE2-ND1 2.91Å; E309-H562 PolarHBondContact OE2-ND1 3.07Å
310	V	95.3	Very high	89.9	Confident	16 Å²	16	55.3 Å²	55.3	10%	0.097	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	133.5	176.9	64.5	0	0	0	0	109.6	L291 I292 Y293 W318 E319	L291-V310 HydrophobicContact CB-CG2 3.6Å; L291-V310 HydrophobicContact CD1-CG2 3.91Å; L291-V310 HydrophobicContact CG-CG2 4.21Å; I292-V310 CarbonylContact O-C 3.55Å; I292-V310 WeakPolarHBondContact O-CA 3.02Å; Y293-V310 HydrophobicContact CD1-CB 3.88Å; Y293-V310 HydrophobicContact CD1-CG2 4.07Å; Y293-V310 HydrophobicContact CD2-CG2 4.11Å; Y293-V310 HydrophobicContact CE1-CB 3.62Å; Y293-V310 HydrophobicContact CE1-CG2 3.67Å; Y293-V310 HydrophobicContact CE2-CG2 3.7Å; Y293-V310 HydrophobicContact CG-CB 4.44Å; Y293-V310 HydrophobicContact CG-CG2 4.27Å; Y293-V310 VanDerWaalsContact CZ-CG2 3.46Å; V310-W318 CarbonylContact O-C 3.6Å; V310-W318 VanDerWaalsContact O-CA 3.28Å; V310-W318 WeakPolarHBondContact O-CA 3.15Å; V310-E319 HydrophobicContact CG1-CB 4.05Å; V310-E319 PolarHBondContact N-O 3.1Å; V310-E319 PolarHBondContact O-N 2.77Å
311	F	94.9	Very high	90.5	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	127.2	175.3	-179.7	-119.7	0	0	0	109.6	L291 I292 P313 N316 F317 W318 Y529 M556 A557	L291-F311 WeakPolarHBondContact CA-O 3.27Å; I292-F311 HydrophobicContact CB-CB 4.17Å; I292-F311 HydrophobicContact CB-CD1 4.41Å; I292-F311 HydrophobicContact CD1-CD1 4.15Å; I292-F311 PolarHBondContact N-O 3.08Å; I292-F311 PolarHBondContact O-N 3.01Å; F311-P313 HydrophobicContact CD1-CB 4.39Å; F311-P313 HydrophobicContact CD1-CG 3.99Å; F311-P313 HydrophobicContact CE1-CB 3.94Å; F311-P313 HydrophobicContact CE1-CG 4.04Å; F311-P313 WeakPolarHBondContact O-CD 3.3Å; F311-N316 WeakPolarHBondContact CZ-OD1 3.34Å; F311-F317 WeakPolarHBondContact CA-O 3.38Å; F311-F317 VanDerWaalsContact CD2-O 3.24Å; F311-F317 WeakPolarHBondContact CD2-O 3.48Å; F311-W318 HydrophobicContact CB-CD2 3.61Å; F311-W318 HydrophobicContact CB-CE3 3.63Å; F311-W318 HydrophobicContact CB-CG 4.36Å; F311-W318 HydrophobicContact CB-CH2 3.57Å; F311-W318 HydrophobicContact CB-CZ2 3.52Å; F311-W318 HydrophobicContact CB-CZ3 3.62Å; F311-W318 HydrophobicContact CD1-CZ2 4.47Å; F311-W318 AromaticContact CD2-CD1 3.59Å; F311-W318 AromaticContact CD2-CD2 3.94Å; F311-W318 HydrophobicContact CD2-CD2 3.94Å; F311-W318 AromaticContact CD2-CE2 3.55Å; F311-W318 AromaticContact CD2-CG 3.97Å; F311-W318 HydrophobicContact CD2-CG 3.97Å; F311-W318 HydrophobicContact CD2-CZ2 4.11Å; F311-W318 AromaticContact CD2-NE1 3.3Å; F311-W318 VanDerWaalsContact CD2-NE1 3.3Å; F311-W318 AromaticContact CE2-NE1 3.87Å; F311-W318 HydrophobicContact CG-CD2 4.15Å; F311-W318 AromaticContact CG-CE2 3.7Å; F311-W318 HydrophobicContact CG-CH2 4.33Å; F311-W318 AromaticContact CG-CZ2 3.81Å; F311-W318 HydrophobicContact CG-CZ2 3.81Å; F311-W318 AromaticContact CG-NE1 3.94Å; F311-Y529 HydrophobicContact CE1-CD1 4.4Å; F311-Y529 HydrophobicContact CE1-CE1 4.1Å; F311-M556 HydrophobicContact CZ-CB 3.97Å; F311-M556 HydrophobicContact CZ-CE 4.18Å; F311-A557 HydrophobicContact CE2-CB 4.16Å
312	D	85.9	Confident	91	Very high	38 Å²	38	51.7 Å²	51.7	20%	0.203	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	110.3	164.3	179.3	1	0	0	0	109.1	L291 V314 G315 N316 F317	L291-D312 HydrophobicContact CD2-CB 3.97Å; D312-V314 PolarHBondContact O-N 2.96Å; D312-V314 WeakPolarHBondContact OD1-CB 3.37Å; D312-V314 PolarHBondContact OD1-N 2.96Å; D312-G315 VanDerWaalsContact CG-N 3.33Å; D312-G315 PolarHBondContact OD1-N 3.02Å; D312-G315 PolarHBondContact OD2-N 3.35Å; D312-N316 VanDerWaalsContact O-CA 3.23Å; D312-N316 WeakPolarHBondContact O-CA 3.4Å; D312-N316 PolarHBondContact O-N 3.4Å; D312-F317 HydrophobicContact CB-CE1 4.31Å; D312-F317 HydrophobicContact CB-CE2 4.48Å; D312-F317 HydrophobicContact CB-CZ 4.16Å; D312-F317 PolarHBondContact N-O 2.63Å; D312-F317 VanDerWaalsContact N-O 3.1Å
313	P	86.8	Confident	91.7	Very high	14 Å²	14	52 Å²	52	9%	0.091	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-20.4	178.1	-18.9	32.5	0	0	0	114.4	I292 F311 T524 Y529	I292-P313 HydrophobicContact CD1-CG 4.39Å; F311-P313 HydrophobicContact CD1-CB 4.39Å; F311-P313 HydrophobicContact CD1-CG 3.99Å; F311-P313 HydrophobicContact CE1-CB 3.94Å; F311-P313 HydrophobicContact CE1-CG 4.04Å; F311-P313 WeakPolarHBondContact O-CD 3.3Å; P313-T524 HydrophobicContact CG-CG2 4.22Å; P313-Y529 HydrophobicContact CB-CE1 4.43Å
314	V	81.2	Confident	92	Very high	117 Å²	117	47.7 Å²	47.7	71%	0.709	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-52.8	179.7	-179.3	0	0	0	0	109.9	D312 N316	D312-V314 PolarHBondContact O-N 2.96Å; D312-V314 WeakPolarHBondContact OD1-CB 3.37Å; D312-V314 PolarHBondContact OD1-N 2.96Å; V314-N316 PolarHBondContact O-N 3.15Å
315	G	74.9	Confident	92.1	Very high	41 Å²	41	55.5 Å²	55.5	42%	0.423	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-21.2	174.2	0	0	0	0	0	113.8	D312 F317	D312-G315 VanDerWaalsContact CG-N 3.33Å; D312-G315 PolarHBondContact OD1-N 3.02Å; D312-G315 PolarHBondContact OD2-N 3.35Å; G315-F317 WeakPolarHBondContact O-CD1 3.34Å
316	N	86.1	Confident	92.2	Very high	66 Å²	66	56.3 Å²	56.3	35%	0.353	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	54	51.7	-175.9	-172.6	38.6	0	0	0	112.6	F311 D312 V314 M556 A557	F311-N316 WeakPolarHBondContact CZ-OD1 3.34Å; D312-N316 VanDerWaalsContact O-CA 3.23Å; D312-N316 WeakPolarHBondContact O-CA 3.4Å; D312-N316 PolarHBondContact O-N 3.4Å; V314-N316 PolarHBondContact O-N 3.15Å; N316-M556 HydrophobicContact CB-CE 4.49Å; N316-M556 WeakPolarHBondContact OD1-CE 3.31Å; N316-A557 WeakPolarHBondContact O-CB 3.31Å; N316-A557 WeakPolarHBondContact OD1-CB 3.34Å; N316-A557 PolarHBondContact OD1-N 2.91Å
317	F	87.4	Confident	92.2	Very high	87 Å²	87	54.9 Å²	54.9	38%	0.382	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	160.3	174.8	64.7	-96.8	0	0	0	111.1	F311 D312 G315 E319	F311-F317 WeakPolarHBondContact CA-O 3.38Å; F311-F317 VanDerWaalsContact CD2-O 3.24Å; F311-F317 WeakPolarHBondContact CD2-O 3.48Å; D312-F317 HydrophobicContact CB-CE1 4.31Å; D312-F317 HydrophobicContact CB-CE2 4.48Å; D312-F317 HydrophobicContact CB-CZ 4.16Å; D312-F317 PolarHBondContact N-O 2.63Å; D312-F317 VanDerWaalsContact N-O 3.1Å; G315-F317 WeakPolarHBondContact O-CD1 3.34Å; F317-E319 HydrophobicContact CD2-CG 3.81Å; F317-E319 VanDerWaalsContact CE2-CD 3.5Å; F317-E319 HydrophobicContact CE2-CG 3.66Å; F317-E319 VanDerWaalsContact CE2-OE1 3.3Å; F317-E319 WeakPolarHBondContact CE2-OE1 3.32Å
318	W	94.1	Very high	92.3	Very high	25 Å²	25	52.9 Å²	52.9	10%	0.095	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	142	176	-70.5	85.5	0	0	0	110.6	I292 A294 E309 V310 F311 V531 V543 A557 M559	I292-W318 HydrophobicContact CG2-CH2 4.45Å; A294-W318 HydrophobicContact CB-CH2 3.89Å; A294-W318 HydrophobicContact CB-CZ3 3.6Å; E309-W318 HydrophobicContact CB-CE3 3.67Å; E309-W318 HydrophobicContact CB-CZ3 4.19Å; V310-W318 CarbonylContact O-C 3.6Å; V310-W318 VanDerWaalsContact O-CA 3.28Å; V310-W318 WeakPolarHBondContact O-CA 3.15Å; F311-W318 HydrophobicContact CB-CD2 3.61Å; F311-W318 HydrophobicContact CB-CE3 3.63Å; F311-W318 HydrophobicContact CB-CG 4.36Å; F311-W318 HydrophobicContact CB-CH2 3.57Å; F311-W318 HydrophobicContact CB-CZ2 3.52Å; F311-W318 HydrophobicContact CB-CZ3 3.62Å; F311-W318 HydrophobicContact CD1-CZ2 4.47Å; F311-W318 AromaticContact CD2-CD1 3.59Å; F311-W318 AromaticContact CD2-CD2 3.94Å; F311-W318 HydrophobicContact CD2-CD2 3.94Å; F311-W318 AromaticContact CD2-CE2 3.55Å; F311-W318 AromaticContact CD2-CG 3.97Å; F311-W318 HydrophobicContact CD2-CG 3.97Å; F311-W318 HydrophobicContact CD2-CZ2 4.11Å; F311-W318 AromaticContact CD2-NE1 3.3Å; F311-W318 VanDerWaalsContact CD2-NE1 3.3Å; F311-W318 AromaticContact CE2-NE1 3.87Å; F311-W318 HydrophobicContact CG-CD2 4.15Å; F311-W318 AromaticContact CG-CE2 3.7Å; F311-W318 HydrophobicContact CG-CH2 4.33Å; F311-W318 AromaticContact CG-CZ2 3.81Å; F311-W318 HydrophobicContact CG-CZ2 3.81Å; F311-W318 AromaticContact CG-NE1 3.94Å; W318-V531 HydrophobicContact CH2-CG1 4.17Å; W318-V531 HydrophobicContact CZ2-CG1 4.39Å; W318-V543 HydrophobicContact CZ2-CG2 3.69Å; W318-A557 PolarHBondContact NE1-O 2.94Å; W318-M559 HydrophobicContact CD2-CB 4.47Å; W318-M559 HydrophobicContact CD2-CG 4.02Å; W318-M559 HydrophobicContact CE3-CG 4.24Å; W318-M559 HydrophobicContact CH2-CG 3.75Å; W318-M559 HydrophobicContact CH2-SD 4.22Å; W318-M559 HydrophobicContact CZ2-CG 3.49Å; W318-M559 VanDerWaalsContact CZ2-CG 3.49Å; W318-M559 HydrophobicContact CZ2-SD 4.42Å; W318-M559 HydrophobicContact CZ3-CG 4.12Å
319	E	91.1	Very high	92.3	Very high	114 Å²	114	52.8 Å²	52.8	53%	0.533	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	150.3	172.1	-70.6	-177.8	166.4	0	0	110.8	E309 V310 F317	E309-E319 CarbonylContact C-O 3.56Å; E309-E319 WeakPolarHBondContact CA-O 3.23Å; E309-E319 WeakPolarHBondContact CB-O 3.45Å; V310-E319 HydrophobicContact CG1-CB 4.05Å; V310-E319 PolarHBondContact N-O 3.1Å; V310-E319 PolarHBondContact O-N 2.77Å; F317-E319 HydrophobicContact CD2-CG 3.81Å; F317-E319 VanDerWaalsContact CE2-CD 3.5Å; F317-E319 HydrophobicContact CE2-CG 3.66Å; F317-E319 VanDerWaalsContact CE2-OE1 3.3Å; F317-E319 WeakPolarHBondContact CE2-OE1 3.32Å
320	R	94.3	Very high	92.4	Very high	174 Å²	174	57 Å²	57	66%	0.657	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.1	139.5	174.4	-73.7	-173.7	176.6	179.6	0.4	110.4	E309 S561	E309-R320 HydrophobicContact CG-CG 4.19Å; R320-S561 VanDerWaalsContact CZ-OG 3.26Å; R320-S561 PolarHBondContact NE-OG 3.18Å; R320-S561 PolarHBondContact NH2-OG 3.19Å
321	C	94.7	Very high	92.5	Very high	19 Å²	19	56.9 Å²	56.9	13%	0.128	28%	0.282	C	S	.	.			trans	-105.6	174.7	166.7	-54.6	0	0	0	0	110.2	V308 Y358	V308-C321 HydrophobicContact CB-CB 4.12Å; V308-C321 HydrophobicContact CG1-CB 3.93Å; V308-C321 PolarHBondContact O-N 3Å; C321-Y358 HydrophobicContact CB-CE2 4.38Å; C321-Y358 WeakPolarHBondContact CB-OH 3.26Å
322	Q	96.8	Very high	92.6	Very high	93 Å²	93	57 Å²	57	44%	0.435	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-54.3	128.1	170.1	-175.2	65	15.9	0	0	110.2	Y358 D363 W365	Q322-Y358 HydrophobicContact CB-CE2 4.33Å; Q322-D363 VanDerWaalsContact CB-O 3.24Å; Q322-D363 WeakPolarHBondContact CB-O 3.47Å; Q322-D363 WeakPolarHBondContact CB-OD1 3.47Å; Q322-D363 PolarHBondContact N-OD1 3.3Å; Q322-W365 PolarHBondContact O-NE1 3.24Å
323	P	97.3	Very high	93.2	Very high	48 Å²	48	55.9 Å²	55.9	31%	0.312	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-71.5	153.8	179.3	29.2	-35.7	0	0	0	111.6	N306 W365	N306-P323 CarbonylContact O-C 3.55Å; N306-P323 WeakPolarHBondContact O-CA 3.45Å; N306-P323 WeakPolarHBondContact O-CB 3.12Å; P323-W365 VanDerWaalsContact O-CD1 3.28Å
324	M	97.6	Very high	93.7	Very high	3 Å²	3	55.4 Å²	55.4	2%	0.015	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-60.8	158	169.3	-64.6	175.1	-67.4	0	0	110.6	V295 N306 V308 T326 R328 A342 W365	V295-M324 HydrophobicContact CG1-CE 3.57Å; V295-M324 HydrophobicContact CG1-CG 4.5Å; V295-M324 HydrophobicContact CG1-SD 3.4Å; V295-M324 WeakPolarHBondContact CG1-SD 3.49Å; N306-M324 HydrophobicContact CB-CB 4.24Å; N306-M324 WeakPolarHBondContact CB-O 3.45Å; N306-M324 PolarHBondContact ND2-O 2.85Å; N306-M324 PolarHBondContact O-N 2.88Å; V308-M324 HydrophobicContact CG2-CG 4.07Å; M324-T326 WeakPolarHBondContact CB-O 3.35Å; M324-R328 HydrophobicContact CE-CB 4.34Å; M324-R328 HydrophobicContact CE-CG 4.43Å; M324-R328 HydrophobicContact SD-CG 4.47Å; M324-A342 HydrophobicContact SD-CB 3.42Å; M324-A342 WeakPolarHBondContact SD-CB 3.39Å; M324-W365 HydrophobicContact CG-CD2 3.92Å; M324-W365 HydrophobicContact CG-CE3 4.15Å; M324-W365 HydrophobicContact CG-CH2 3.71Å; M324-W365 HydrophobicContact CG-CZ2 3.47Å; M324-W365 VanDerWaalsContact CG-CZ2 3.47Å; M324-W365 HydrophobicContact CG-CZ3 4.04Å; M324-W365 HydrophobicContact SD-CH2 4.13Å; M324-W365 HydrophobicContact SD-CZ2 4.36Å
325	R	96.4	Very high	94.4	Very high	180 Å²	180	51.4 Å²	51.4	68%	0.679	25%	0.251	S	S	*	.	S	Bend	trans	-73.1	-36.7	174.1	-61	-179.8	179.8	-172.2	0.4	111.3	E356	R325-E356 VanDerWaalsContact CB-OE2 3.32Å; R325-E356 WeakPolarHBondContact CB-OE2 3.5Å; R325-E356 PolarHBondContact N-OE2 3.22Å
326	T	96.9	Very high	95.2	Very high	45 Å²	45	49.8 Å²	49.8	28%	0.276	23%	0.233	S	C	.	.	S	Bend	trans	-107.6	136.1	179.9	-53.8	0	0	0	0	110.5	M324 D347 L352 E356	M324-T326 WeakPolarHBondContact CB-O 3.35Å; T326-D347 HydrophobicContact CG2-CB 4.21Å; T326-L352 HydrophobicContact CG2-CD1 3.68Å; T326-L352 HydrophobicContact CG2-CD2 4.45Å; T326-E356 WeakPolarHBondContact CB-OE1 3.33Å; T326-E356 PolarHBondContact N-OE1 3.26Å
327	A	97.3	Very high	95.2	Very high	26 Å²	26	52.7 Å²	52.7	22%	0.215	25%	0.249	C	C	.	.			trans	-70.9	137.9	171.7	0	0	0	0	0	110.6	S304 L305 N306 D347	S304-A327 WeakPolarHBondContact O-CB 3.49Å; L305-A327 CarbonylContact O-C 2.82Å; L305-A327 WeakPolarHBondContact O-CA 3.3Å; N306-A327 HydrophobicContact CB-CB 4.17Å; A327-D347 VanDerWaalsContact O-CA 3.23Å; A327-D347 WeakPolarHBondContact O-CA 3.4Å; A327-D347 WeakPolarHBondContact O-CB 3.45Å
328	R	97.6	Very high	95.2	Very high	1 Å²	1	50 Å²	50	0%	0.004	25%	0.245	C	C	.	.			trans	-143.1	115.9	-174	-55.2	176.5	-178	-95.9	-1.9	111	G296 G297 L305 M324 V331 G344 L352 T354 E356	G296-R328 CarbonylContact C-O 2.98Å; G296-R328 VanDerWaalsContact CA-O 3.24Å; G296-R328 WeakPolarHBondContact CA-O 3.38Å; G297-R328 PolarHBondContact N-O 2.84Å; L305-R328 PolarHBondContact O-N 2.79Å; M324-R328 HydrophobicContact CE-CB 4.34Å; M324-R328 HydrophobicContact CE-CG 4.43Å; M324-R328 HydrophobicContact SD-CG 4.47Å; R328-V331 HydrophobicContact CB-CB 3.84Å; R328-V331 HydrophobicContact CB-CG2 3.92Å; R328-V331 HydrophobicContact CG-CG2 4.45Å; R328-G344 PolarHBondContact NH1-O 2.86Å; R328-L352 HydrophobicContact CG-CD1 3.93Å; R328-T354 PolarHBondContact NH1-O 3.31Å; R328-T354 PolarHBondContact NH1-OG1 3.46Å; R328-T354 PolarHBondContact NH2-OG1 3.28Å; R328-E356 IonicContact CZ-OE1 3.15Å; R328-E356 IonicContact NE-OE1 2.75Å; R328-E356 PolarHBondContact NE-OE1 2.96Å; R328-E356 VanDerWaalsContact NE-OE1 3.15Å; R328-E356 IonicContact NH2-OE1 3.66Å; R328-E356 PolarHBondContact NH2-OE1 3.18Å
329	S	96.4	Very high	95.2	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-102.4	155.1	161.8	63.1	0	0	0	0	110.9	G297 L298 S304 V331 G345 Y346	G297-S329 WeakPolarHBondContact O-CB 3.3Å; L298-S329 VanDerWaalsContact CD2-CB 3.41Å; S304-S329 WeakPolarHBondContact OG-CB 3.11Å; S304-S329 PolarHBondContact OG-OG 2.91Å; S329-V331 PolarHBondContact O-N 3.25Å; S329-G345 CarbonylContact O-C 3.57Å; S329-G345 WeakPolarHBondContact O-CA 3.23Å; S329-Y346 PolarHBondContact N-O 2.87Å; S329-Y346 PolarHBondContact O-N 3.3Å; S329-Y346 PolarHBondContact OG-O 2.89Å
330	R	96.7	Very high	95.5	Very high	89 Å²	89	45.6 Å²	45.6	34%	0.336	23%	0.227	S	C	.	.	S	Bend	trans	52.4	39.3	-176.4	-60.3	171.3	-82.7	-104.3	-2	112	Y346 A377	R330-Y346 VanDerWaalsContact NH2-CD1 3.28Å; R330-A377 HydrophobicContact CB-CB 4.14Å; R330-A377 HydrophobicContact CG-CB 4.44Å; R330-A377 PolarHBondContact O-N 3.07Å
331	V	97.8	Very high	95.7	Very high	14 Å²	14	37.8 Å²	37.8	9%	0.085	20%	0.198	C	C	.	.			trans	-78.5	142.2	-177.5	62.8	0	0	0	0	110.5	V295 R328 S329 V333 A342	V295-V331 WeakPolarHBondContact O-CG1 3.2Å; R328-V331 HydrophobicContact CB-CB 3.84Å; R328-V331 HydrophobicContact CB-CG2 3.92Å; R328-V331 HydrophobicContact CG-CG2 4.45Å; S329-V331 PolarHBondContact O-N 3.25Å; V331-V333 HydrophobicContact CG1-CG2 4.11Å; V331-A342 HydrophobicContact CG2-CB 4.2Å
332	G	97.9	Very high	95.9	Very high	3 Å²	3	36.9 Å²	36.9	3%	0.031	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	135.3	167	0	0	0	0	0	109.9	I343 T380	G332-I343 PolarHBondContact N-O 3.25Å; G332-I343 PolarHBondContact O-N 2.93Å; G332-T380 VanDerWaalsContact CA-OG1 3.25Å; G332-T380 WeakPolarHBondContact CA-OG1 3.45Å
333	V	98.2	Very high	96	Very high	15 Å²	15	32.5 Å²	32.5	9%	0.091	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	133.3	178.6	179.7	0	0	0	0	109.7	V295 V331 L340 Y341	V295-V333 HydrophobicContact CB-CG2 3.84Å; V295-V333 HydrophobicContact CG1-CG2 4.31Å; V295-V333 HydrophobicContact CG2-CG1 4.27Å; V295-V333 HydrophobicContact CG2-CG2 4.1Å; V331-V333 HydrophobicContact CG1-CG2 4.11Å; V333-L340 HydrophobicContact CG1-CD1 3.39Å; V333-L340 HydrophobicContact CG1-CG 4.33Å; V333-Y341 VanDerWaalsContact CA-O 3.31Å; V333-Y341 WeakPolarHBondContact CA-O 3.36Å
334	A	97.3	Very high	96	Very high	4 Å²	4	30.2 Å²	30.2	3%	0.033	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	149.6	176.9	0	0	0	0	0	110.2	Y341 I343 T380 V382 I387	A334-Y341 PolarHBondContact N-O 3.42Å; A334-Y341 VanDerWaalsContact N-O 3.12Å; A334-Y341 PolarHBondContact O-N 2.91Å; A334-I343 HydrophobicContact CB-CD1 4.13Å; A334-T380 HydrophobicContact CB-CG2 3.8Å; A334-V382 HydrophobicContact CB-CG2 3.67Å; A334-I387 HydrophobicContact CB-CB 4.5Å; A334-I387 HydrophobicContact CB-CD1 3.93Å; A334-I387 HydrophobicContact CB-CG1 3.99Å; A334-I387 HydrophobicContact CB-CG2 3.76Å
335	V	95.7	Very high	96.1	Very high	33 Å²	33	30 Å²	30	20%	0.2	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	121.8	170.7	178.5	0	0	0	0	108.9	L339 L340 V382 C570 V571	V335-L339 VanDerWaalsContact CA-O 3.3Å; V335-L339 WeakPolarHBondContact CA-O 3.26Å; V335-L340 HydrophobicContact CG2-CD1 3.6Å; V335-V382 WeakPolarHBondContact O-CG2 3.34Å; V335-C570 WeakPolarHBondContact CG1-O 3.38Å; V335-V571 HydrophobicContact CG1-CB 4.49Å; V335-V571 HydrophobicContact CG1-CG2 3.85Å; V335-V571 HydrophobicContact CG2-CG2 4.06Å
336	V	92	Very high	96.1	Very high	7 Å²	7	23.8 Å²	23.8	4%	0.042	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	135.7	176.2	60.4	0	0	0	0	109.2	G338 L339 Y341 V382 G385 I387 P407	V336-G338 PolarHBondContact O-N 2.81Å; V336-L339 PolarHBondContact N-O 2.9Å; V336-L339 PolarHBondContact O-N 3.47Å; V336-Y341 HydrophobicContact CG1-CD2 3.75Å; V336-Y341 HydrophobicContact CG1-CE2 3.21Å; V336-V382 HydrophobicContact CB-CG1 4Å; V336-V382 HydrophobicContact CB-CG2 4.35Å; V336-V382 HydrophobicContact CG2-CG1 4.07Å; V336-G385 WeakPolarHBondContact CG2-O 3.28Å; V336-I387 HydrophobicContact CG1-CD1 3.88Å; V336-I387 HydrophobicContact CG1-CG1 4.04Å; V336-P407 HydrophobicContact CG1-CG 3.78Å; V336-P407 HydrophobicContact CG2-CG 4.3Å
337	N	85.8	Confident	96.1	Very high	127 Å²	127	23.9 Å²	23.9	68%	0.679	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.2	35.6	-178.2	-58.1	-23.2	0	0	0	113.9	L339	N337-L339 PolarHBondContact O-N 3.31Å
338	G	87.5	Confident	96	Very high	30 Å²	30	24.6 Å²	24.6	31%	0.309	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.2	-0.3	-178.1	0	0	0	0	0	115	V336 P360	V336-G338 PolarHBondContact O-N 2.81Å; G338-P360 WeakPolarHBondContact O-CD 3.31Å
339	L	94	Very high	95.9	Very high	46 Å²	46	32.9 Å²	32.9	24%	0.241	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	144.1	179	-57.5	178.8	0	0	0	110.9	V335 V336 N337 Y341 V357 N359	V335-L339 VanDerWaalsContact CA-O 3.3Å; V335-L339 WeakPolarHBondContact CA-O 3.26Å; V336-L339 PolarHBondContact N-O 2.9Å; V336-L339 PolarHBondContact O-N 3.47Å; N337-L339 PolarHBondContact O-N 3.31Å; L339-Y341 HydrophobicContact CB-CE2 3.8Å; L339-V357 HydrophobicContact CB-CG2 3.71Å; L339-V357 HydrophobicContact CD1-CG2 4.13Å; L339-V357 HydrophobicContact CG-CG2 4.47Å; L339-N359 HydrophobicContact CD2-CB 3.72Å
340	L	97.8	Very high	95.9	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	122.7	-177.2	177.2	77.3	0	0	0	110	Y293 V295 V333 V335 V357 Y358 W365	Y293-L340 HydrophobicContact CD1-CD2 3.9Å; Y293-L340 HydrophobicContact CG-CD2 3.81Å; V295-L340 HydrophobicContact CG2-CD1 4.43Å; V295-L340 HydrophobicContact CG2-CD2 3.7Å; V295-L340 HydrophobicContact CG2-CG 4.34Å; V333-L340 HydrophobicContact CG1-CD1 3.39Å; V333-L340 HydrophobicContact CG1-CG 4.33Å; V335-L340 HydrophobicContact CG2-CD1 3.6Å; L340-V357 CarbonylContact O-C 3.51Å; L340-V357 WeakPolarHBondContact O-CA 3.42Å; L340-Y358 HydrophobicContact CB-CD1 4.19Å; L340-Y358 HydrophobicContact CD2-CD1 4.07Å; L340-Y358 PolarHBondContact N-O 3.04Å; L340-Y358 PolarHBondContact O-N 3.01Å; L340-W365 HydrophobicContact CD2-CH2 4.26Å; L340-W365 HydrophobicContact CD2-CZ2 4.5Å
341	Y	98.6	Very high	95.9	Very high	11 Å²	11	34.2 Å²	34.2	4%	0.043	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	125.6	-177.4	-68.6	-105.5	0	0	0	110.5	V333 A334 V336 L339 V355 E356 V357 V368 I387 Y405	V333-Y341 VanDerWaalsContact CA-O 3.31Å; V333-Y341 WeakPolarHBondContact CA-O 3.36Å; A334-Y341 PolarHBondContact N-O 3.42Å; A334-Y341 VanDerWaalsContact N-O 3.12Å; A334-Y341 PolarHBondContact O-N 2.91Å; V336-Y341 HydrophobicContact CG1-CD2 3.75Å; V336-Y341 HydrophobicContact CG1-CE2 3.21Å; L339-Y341 HydrophobicContact CB-CE2 3.8Å; Y341-V355 HydrophobicContact CD1-CG1 4.17Å; Y341-E356 CarbonylContact C-O 3.59Å; Y341-E356 WeakPolarHBondContact CA-O 3.48Å; Y341-V357 HydrophobicContact CD1-CB 3.83Å; Y341-V357 HydrophobicContact CD1-CG2 3.9Å; Y341-V357 HydrophobicContact CD2-CG2 3.91Å; Y341-V357 HydrophobicContact CE1-CB 3.71Å; Y341-V357 HydrophobicContact CE1-CG2 3.6Å; Y341-V357 HydrophobicContact CE2-CG2 3.59Å; Y341-V357 HydrophobicContact CG-CB 4.31Å; Y341-V357 HydrophobicContact CG-CG2 4.05Å; Y341-V357 VanDerWaalsContact CZ-CG2 3.43Å; Y341-V368 HydrophobicContact CD1-CG2 4.46Å; Y341-V368 HydrophobicContact CE1-CG2 4.41Å; Y341-I387 HydrophobicContact CD1-CD1 3.77Å; Y341-I387 HydrophobicContact CD2-CD1 3.74Å; Y341-I387 HydrophobicContact CE1-CD1 4.2Å; Y341-I387 HydrophobicContact CE2-CD1 4.18Å; Y341-I387 HydrophobicContact CG-CD1 3.52Å; Y341-Y405 HydrophobicContact CD1-CE1 4.37Å; Y341-Y405 AromaticContact CE1-CE1 3.76Å; Y341-Y405 HydrophobicContact CE1-CE1 3.76Å
342	A	98.6	Very high	95.9	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	112.9	171.6	0	0	0	0	0	109.7	V295 M324 V331 V355 E356 W365	V295-A342 HydrophobicContact CG1-CB 4.05Å; M324-A342 HydrophobicContact SD-CB 3.42Å; M324-A342 WeakPolarHBondContact SD-CB 3.39Å; V331-A342 HydrophobicContact CG2-CB 4.2Å; A342-V355 WeakPolarHBondContact O-CA 3.38Å; A342-E356 PolarHBondContact N-O 3.01Å; A342-E356 PolarHBondContact O-N 3.45Å; A342-W365 HydrophobicContact CB-CH2 3.91Å; A342-W365 HydrophobicContact CB-CZ3 3.78Å
343	I	98.7	Very high	96	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	122.2	-164.5	-62.3	154	0	0	0	110.5	G332 A334 V355 M371 M378 T380 I387 V389 W412	G332-I343 PolarHBondContact N-O 3.25Å; G332-I343 PolarHBondContact O-N 2.93Å; A334-I343 HydrophobicContact CB-CD1 4.13Å; I343-V355 HydrophobicContact CB-CG2 4.47Å; I343-V355 HydrophobicContact CG1-CG1 3.66Å; I343-V355 HydrophobicContact CG1-CG2 4.24Å; I343-V355 HydrophobicContact CG2-CG2 4.14Å; I343-M371 HydrophobicContact CG2-CE 3.78Å; I343-M371 HydrophobicContact CG2-CG 4.3Å; I343-M371 HydrophobicContact CG2-SD 3.52Å; I343-M371 VanDerWaalsContact CG2-SD 3.52Å; I343-M378 HydrophobicContact CG2-SD 4.23Å; I343-T380 HydrophobicContact CD1-CG2 3.77Å; I343-I387 HydrophobicContact CD1-CD1 4.33Å; I343-I387 HydrophobicContact CD1-CG2 3.63Å; I343-V389 HydrophobicContact CG2-CG2 3.85Å; I343-W412 HydrophobicContact CG2-CH2 4.17Å; I343-W412 HydrophobicContact CG2-CZ2 4.36Å
344	G	98.5	Very high	96	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.207	C	C	.	.			trans	57.1	-140.6	177.3	0	0	0	0	0	113.1	R328 L352 T354	R328-G344 PolarHBondContact NH1-O 2.86Å; G344-L352 VanDerWaalsContact CA-O 3.27Å; G344-L352 WeakPolarHBondContact CA-O 3.32Å; G344-T354 PolarHBondContact N-O 3.07Å; G344-T354 VanDerWaalsContact N-O 3.09Å
345	G	98.2	Very high	96.1	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.206	C	C	.	.			trans	102.1	-161.2	-178.8	0	0	0	0	0	112.5	S329 R351 L352 R375	S329-G345 CarbonylContact O-C 3.57Å; S329-G345 WeakPolarHBondContact O-CA 3.23Å; G345-R351 WeakPolarHBondContact O-CA 3.36Å; G345-L352 PolarHBondContact O-N 3.46Å; G345-R375 PolarHBondContact N-O 2.83Å
346	Y	97.8	Very high	96.2	Very high	49 Å²	49	35.1 Å²	35.1	19%	0.192	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-129.9	128.2	-179.9	-179.3	-107.7	0	0	0	109.8	S304 S329 R330 G348 S350 R351	S304-Y346 WeakPolarHBondContact CB-O 3.23Å; S304-Y346 PolarHBondContact OG-O 2.85Å; S329-Y346 PolarHBondContact N-O 2.87Å; S329-Y346 PolarHBondContact O-N 3.3Å; S329-Y346 PolarHBondContact OG-O 2.89Å; R330-Y346 VanDerWaalsContact NH2-CD1 3.28Å; Y346-G348 VanDerWaalsContact CE1-C 3.47Å; Y346-G348 PolarHBondContact OH-O 3.35Å; Y346-S350 WeakPolarHBondContact CA-O 3.39Å; Y346-S350 WeakPolarHBondContact CD2-O 3.31Å; Y346-R351 HydrophobicContact CD2-CG 4.4Å
347	D	96.6	Very high	96.5	Very high	47 Å²	47	35.2 Å²	35.2	25%	0.251	20%	0.198	S	C	.	.			trans	-91.9	0.3	-176.1	62.7	9	0	0	0	114.4	T326 A327 Q349 S350 L352	T326-D347 HydrophobicContact CG2-CB 4.21Å; A327-D347 VanDerWaalsContact O-CA 3.23Å; A327-D347 WeakPolarHBondContact O-CA 3.4Å; A327-D347 WeakPolarHBondContact O-CB 3.45Å; D347-Q349 WeakPolarHBondContact OD1-CA 3.28Å; D347-Q349 PolarHBondContact OD1-N 3.46Å; D347-S350 PolarHBondContact N-O 3.24Å; D347-S350 PolarHBondContact OD1-N 3.25Å; D347-S350 PolarHBondContact OD2-OG 2.9Å; D347-L352 HydrophobicContact CB-CD1 4.19Å; D347-L352 HydrophobicContact CB-CD2 4.29Å; D347-L352 HydrophobicContact CB-CG 4.44Å
348	G	94.4	Very high	97.1	Very high	40 Å²	40	29.5 Å²	29.5	41%	0.412	17%	0.167	S	C	.	.	S	Bend	trans	106.5	-19.8	-171.1	0	0	0	0	0	113.4	Y346	Y346-G348 VanDerWaalsContact CE1-C 3.47Å; Y346-G348 PolarHBondContact OH-O 3.35Å
349	Q	94.6	Very high	97.3	Very high	175 Å²	175	30.1 Å²	30.1	82%	0.818	16%	0.163	S	C	*	.	S	Bend	trans	-125.1	-46.8	-178.9	-60.2	-172.9	-8.7	0	0	112.7	D347	D347-Q349 WeakPolarHBondContact OD1-CA 3.28Å; D347-Q349 PolarHBondContact OD1-N 3.46Å
350	S	96.4	Very high	97.1	Very high	49 Å²	49	29.6 Å²	29.6	34%	0.343	16%	0.163	S	C	.	.	S	Bend	trans	-132	157	-170	78.3	0	0	0	0	112	Y346 D347	Y346-S350 WeakPolarHBondContact CA-O 3.39Å; Y346-S350 WeakPolarHBondContact CD2-O 3.31Å; D347-S350 PolarHBondContact N-O 3.24Å; D347-S350 PolarHBondContact OD1-N 3.25Å; D347-S350 PolarHBondContact OD2-OG 2.9Å
351	R	97.9	Very high	96.6	Very high	68 Å²	68	37.8 Å²	37.8	26%	0.257	20%	0.201	S	C	.	.	B	Isolated β-bridge	trans	-85	140.5	168.6	-73.2	75.2	-178.7	-172.1	5.7	106.7	G345 Y346 Q374	G345-R351 WeakPolarHBondContact O-CA 3.36Å; Y346-R351 HydrophobicContact CD2-CG 4.4Å; R351-Q374 HydrophobicContact CB-CB 4.26Å; R351-Q374 HydrophobicContact CB-CG 4.18Å; R351-Q374 WeakPolarHBondContact O-CB 3.36Å
352	L	98.6	Very high	96.1	Very high	15 Å²	15	42 Å²	42	8%	0.079	23%	0.228	C	C	.	.			trans	-101.1	143.5	-172.7	-58	174.2	0	0	0	110.9	T326 R328 G344 G345 D347 R375	T326-L352 HydrophobicContact CG2-CD1 3.68Å; T326-L352 HydrophobicContact CG2-CD2 4.45Å; R328-L352 HydrophobicContact CG-CD1 3.93Å; G344-L352 VanDerWaalsContact CA-O 3.27Å; G344-L352 WeakPolarHBondContact CA-O 3.32Å; G345-L352 PolarHBondContact O-N 3.46Å; D347-L352 HydrophobicContact CB-CD1 4.19Å; D347-L352 HydrophobicContact CB-CD2 4.29Å; D347-L352 HydrophobicContact CB-CG 4.44Å; L352-R375 PolarHBondContact O-N 2.98Å; L352-R375 VanDerWaalsContact O-N 3.07Å
353	S	98.4	Very high	95.8	Very high	35 Å²	35	45.4 Å²	45.4	25%	0.245	25%	0.246	C	C	.	.			trans	-101.6	-10.8	160	58.1	0	0	0	0	112.4	S370 M371	S353-S370 CarbonylContact O-C 3.58Å; S353-S370 WeakPolarHBondContact O-CA 3.47Å; S353-S370 WeakPolarHBondContact O-CB 3.46Å; S353-M371 WeakPolarHBondContact CB-O 3.34Å; S353-M371 PolarHBondContact O-N 3.31Å
354	T	98.6	Very high	95.6	Very high	34 Å²	34	46.4 Å²	46.4	21%	0.209	26%	0.256	C	S	.	.			trans	-68.6	150.4	-175.6	60.5	0	0	0	0	111.7	R328 G344	R328-T354 PolarHBondContact NH1-O 3.31Å; R328-T354 PolarHBondContact NH1-OG1 3.46Å; R328-T354 PolarHBondContact NH2-OG1 3.28Å; G344-T354 PolarHBondContact N-O 3.07Å; G344-T354 VanDerWaalsContact N-O 3.09Å
355	V	98.8	Very high	95.6	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	132.8	-179.9	-175	0	0	0	0	109	Y341 A342 I343 V368 M371 W412	Y341-V355 HydrophobicContact CD1-CG1 4.17Å; A342-V355 WeakPolarHBondContact O-CA 3.38Å; I343-V355 HydrophobicContact CB-CG2 4.47Å; I343-V355 HydrophobicContact CG1-CG1 3.66Å; I343-V355 HydrophobicContact CG1-CG2 4.24Å; I343-V355 HydrophobicContact CG2-CG2 4.14Å; V355-V368 HydrophobicContact CB-CG2 3.66Å; V355-V368 HydrophobicContact CG1-CG2 3.48Å; V355-V368 VanDerWaalsContact CG1-CG2 3.48Å; V355-V368 PolarHBondContact O-N 3.28Å; V355-V368 VanDerWaalsContact O-N 3.11Å; V355-M371 HydrophobicContact CG2-CG 4.41Å; V355-W412 HydrophobicContact CG2-CZ2 3.84Å
356	E	98.6	Very high	95.6	Very high	4 Å²	4	51 Å²	51	2%	0.019	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	141	172.8	-64.5	172.2	-105.5	0	0	108.7	R325 T326 R328 Y341 A342 W365 T366	R325-E356 VanDerWaalsContact CB-OE2 3.32Å; R325-E356 WeakPolarHBondContact CB-OE2 3.5Å; R325-E356 PolarHBondContact N-OE2 3.22Å; T326-E356 WeakPolarHBondContact CB-OE1 3.33Å; T326-E356 PolarHBondContact N-OE1 3.26Å; R328-E356 IonicContact CZ-OE1 3.15Å; R328-E356 IonicContact NE-OE1 2.75Å; R328-E356 PolarHBondContact NE-OE1 2.96Å; R328-E356 VanDerWaalsContact NE-OE1 3.15Å; R328-E356 IonicContact NH2-OE1 3.66Å; R328-E356 PolarHBondContact NH2-OE1 3.18Å; Y341-E356 CarbonylContact C-O 3.59Å; Y341-E356 WeakPolarHBondContact CA-O 3.48Å; A342-E356 PolarHBondContact N-O 3.01Å; A342-E356 PolarHBondContact O-N 3.45Å; E356-W365 HydrophobicContact CB-CE3 3.53Å; E356-W365 HydrophobicContact CB-CZ3 3.93Å; E356-W365 WeakPolarHBondContact O-CZ3 3.37Å; E356-T366 CarbonylContact C-O 3.39Å; E356-T366 WeakPolarHBondContact CA-O 3.35Å
357	V	98.4	Very high	95.6	Very high	10 Å²	10	54.2 Å²	54.2	6%	0.061	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	132.3	174.7	66.1	0	0	0	0	109.9	L339 L340 Y341 W365 T366 V368	L339-V357 HydrophobicContact CB-CG2 3.71Å; L339-V357 HydrophobicContact CD1-CG2 4.13Å; L339-V357 HydrophobicContact CG-CG2 4.47Å; L340-V357 CarbonylContact O-C 3.51Å; L340-V357 WeakPolarHBondContact O-CA 3.42Å; Y341-V357 HydrophobicContact CD1-CB 3.83Å; Y341-V357 HydrophobicContact CD1-CG2 3.9Å; Y341-V357 HydrophobicContact CD2-CG2 3.91Å; Y341-V357 HydrophobicContact CE1-CB 3.71Å; Y341-V357 HydrophobicContact CE1-CG2 3.6Å; Y341-V357 HydrophobicContact CE2-CG2 3.59Å; Y341-V357 HydrophobicContact CG-CB 4.31Å; Y341-V357 HydrophobicContact CG-CG2 4.05Å; Y341-V357 VanDerWaalsContact CZ-CG2 3.43Å; V357-W365 VanDerWaalsContact C-CE3 3.44Å; V357-W365 CarbonylContact O-C 3.59Å; V357-W365 WeakPolarHBondContact O-CA 3.47Å; V357-T366 WeakPolarHBondContact CG1-OG1 3.39Å; V357-T366 PolarHBondContact N-O 2.83Å; V357-T366 PolarHBondContact O-N 2.85Å; V357-V368 HydrophobicContact CB-CG1 4.26Å; V357-V368 HydrophobicContact CG1-CG1 3.57Å
358	Y	98.1	Very high	95.7	Very high	6 Å²	6	53.1 Å²	53.1	2%	0.024	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	131.5	177.7	176.6	-108.7	0	0	0	110.2	Y293 C321 Q322 L340 P360 D363 G364 W365	Y293-Y358 HydrophobicContact CD1-CE1 4.34Å; Y293-Y358 HydrophobicContact CE1-CD1 4.4Å; Y293-Y358 AromaticContact CE1-CE1 3.7Å; Y293-Y358 HydrophobicContact CE1-CE1 3.7Å; C321-Y358 HydrophobicContact CB-CE2 4.38Å; C321-Y358 WeakPolarHBondContact CB-OH 3.26Å; Q322-Y358 HydrophobicContact CB-CE2 4.33Å; L340-Y358 HydrophobicContact CB-CD1 4.19Å; L340-Y358 HydrophobicContact CD2-CD1 4.07Å; L340-Y358 PolarHBondContact N-O 3.04Å; L340-Y358 PolarHBondContact O-N 3.01Å; Y358-P360 HydrophobicContact CD1-CG 3.96Å; Y358-P360 HydrophobicContact CE1-CB 4Å; Y358-P360 HydrophobicContact CE1-CG 3.81Å; Y358-P360 WeakPolarHBondContact O-CD 3.32Å; Y358-D363 WeakPolarHBondContact CE2-OD1 3.33Å; Y358-D363 PolarHBondContact OH-OD1 3.05Å; Y358-G364 WeakPolarHBondContact CA-O 3.44Å; Y358-W365 VanDerWaalsContact CB-CH2 3.5Å; Y358-W365 VanDerWaalsContact CB-CZ2 3.45Å; Y358-W365 AromaticContact CD2-CD1 3.73Å; Y358-W365 HydrophobicContact CD2-CD2 4.05Å; Y358-W365 AromaticContact CD2-CE2 3.62Å; Y358-W365 HydrophobicContact CD2-CG 4.13Å; Y358-W365 HydrophobicContact CD2-CZ2 4.1Å; Y358-W365 AromaticContact CD2-NE1 3.38Å; Y358-W365 HydrophobicContact CG-CD2 4.27Å; Y358-W365 AromaticContact CG-CE2 3.83Å; Y358-W365 HydrophobicContact CG-CH2 4.37Å; Y358-W365 AromaticContact CG-CZ2 3.87Å; Y358-W365 HydrophobicContact CG-CZ2 3.87Å
359	N	92.4	Very high	95.9	Very high	44 Å²	44	53.2 Å²	53.2	24%	0.235	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	110.2	168.8	-177.3	-10.7	0	0	0	109.2	L339 E361 T362 D363 G364	L339-N359 HydrophobicContact CD2-CB 3.72Å; N359-E361 PolarHBondContact O-N 2.82Å; N359-E361 WeakPolarHBondContact OD1-CB 3.34Å; N359-E361 PolarHBondContact OD1-N 3.45Å; N359-T362 WeakPolarHBondContact CB-OG1 3.37Å; N359-T362 PolarHBondContact O-N 2.93Å; N359-D363 PolarHBondContact O-N 3.32Å; N359-G364 PolarHBondContact N-O 3.44Å; N359-G364 PolarHBondContact O-N 3.04Å
360	P	89.6	Confident	96	Very high	35 Å²	35	47.2 Å²	47.2	23%	0.227	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-29.2	176.2	-25.8	35.3	0	0	0	114.8	G338 Y358 V571	G338-P360 WeakPolarHBondContact O-CD 3.31Å; Y358-P360 HydrophobicContact CD1-CG 3.96Å; Y358-P360 HydrophobicContact CE1-CB 4Å; Y358-P360 HydrophobicContact CE1-CG 3.81Å; Y358-P360 WeakPolarHBondContact O-CD 3.32Å; P360-V571 HydrophobicContact CG-CG2 4.43Å
361	E	85.8	Confident	96.1	Very high	172 Å²	172	45.2 Å²	45.2	80%	0.804	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-32.8	-178.6	-60.2	-176.7	162.6	0	0	112.3	N359	N359-E361 PolarHBondContact O-N 2.82Å; N359-E361 WeakPolarHBondContact OD1-CB 3.34Å; N359-E361 PolarHBondContact OD1-N 3.45Å
362	T	88.8	Confident	96.1	Very high	99 Å²	99	46.9 Å²	46.9	61%	0.607	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.9	-1.6	-178.6	65	0	0	0	0	113.2	N359 G364	N359-T362 WeakPolarHBondContact CB-OG1 3.37Å; N359-T362 PolarHBondContact O-N 2.93Å; T362-G364 VanDerWaalsContact C-N 3.29Å; T362-G364 PolarHBondContact O-N 2.84Å
363	D	91.9	Very high	96	Very high	72 Å²	72	48.6 Å²	48.6	39%	0.385	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.6	51.7	-172.3	-168.8	25.2	0	0	0	112.3	Q322 Y358 N359	Q322-D363 VanDerWaalsContact CB-O 3.24Å; Q322-D363 WeakPolarHBondContact CB-O 3.47Å; Q322-D363 WeakPolarHBondContact CB-OD1 3.47Å; Q322-D363 PolarHBondContact N-OD1 3.3Å; Y358-D363 WeakPolarHBondContact CE2-OD1 3.33Å; Y358-D363 PolarHBondContact OH-OD1 3.05Å; N359-D363 PolarHBondContact O-N 3.32Å
364	G	94.9	Very high	96	Very high	21 Å²	21	51.3 Å²	51.3	22%	0.216	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	140	-167.5	0	0	0	0	0	114.2	Y358 N359 T362	Y358-G364 WeakPolarHBondContact CA-O 3.44Å; N359-G364 PolarHBondContact N-O 3.44Å; N359-G364 PolarHBondContact O-N 3.04Å; T362-G364 VanDerWaalsContact C-N 3.29Å; T362-G364 PolarHBondContact O-N 2.84Å
365	W	98.3	Very high	96	Very high	15 Å²	15	49.8 Å²	49.8	6%	0.057	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	135.6	175.7	-70.5	90.8	0	0	0	112.3	V295 V308 Q322 P323 M324 L340 A342 E356 V357 Y358	V295-W365 HydrophobicContact CG1-CH2 4.4Å; V308-W365 HydrophobicContact CG1-CZ2 4.41Å; V308-W365 HydrophobicContact CG2-CZ2 3.51Å; Q322-W365 PolarHBondContact O-NE1 3.24Å; P323-W365 VanDerWaalsContact O-CD1 3.28Å; M324-W365 HydrophobicContact CG-CD2 3.92Å; M324-W365 HydrophobicContact CG-CE3 4.15Å; M324-W365 HydrophobicContact CG-CH2 3.71Å; M324-W365 HydrophobicContact CG-CZ2 3.47Å; M324-W365 VanDerWaalsContact CG-CZ2 3.47Å; M324-W365 HydrophobicContact CG-CZ3 4.04Å; M324-W365 HydrophobicContact SD-CH2 4.13Å; M324-W365 HydrophobicContact SD-CZ2 4.36Å; L340-W365 HydrophobicContact CD2-CH2 4.26Å; L340-W365 HydrophobicContact CD2-CZ2 4.5Å; A342-W365 HydrophobicContact CB-CH2 3.91Å; A342-W365 HydrophobicContact CB-CZ3 3.78Å; E356-W365 HydrophobicContact CB-CE3 3.53Å; E356-W365 HydrophobicContact CB-CZ3 3.93Å; E356-W365 WeakPolarHBondContact O-CZ3 3.37Å; V357-W365 VanDerWaalsContact C-CE3 3.44Å; V357-W365 CarbonylContact O-C 3.59Å; V357-W365 WeakPolarHBondContact O-CA 3.47Å; Y358-W365 VanDerWaalsContact CB-CH2 3.5Å; Y358-W365 VanDerWaalsContact CB-CZ2 3.45Å; Y358-W365 AromaticContact CD2-CD1 3.73Å; Y358-W365 HydrophobicContact CD2-CD2 4.05Å; Y358-W365 AromaticContact CD2-CE2 3.62Å; Y358-W365 HydrophobicContact CD2-CG 4.13Å; Y358-W365 HydrophobicContact CD2-CZ2 4.1Å; Y358-W365 AromaticContact CD2-NE1 3.38Å; Y358-W365 HydrophobicContact CG-CD2 4.27Å; Y358-W365 AromaticContact CG-CE2 3.83Å; Y358-W365 HydrophobicContact CG-CH2 4.37Å; Y358-W365 AromaticContact CG-CZ2 3.87Å; Y358-W365 HydrophobicContact CG-CZ2 3.87Å
366	T	97.9	Very high	95.9	Very high	82 Å²	82	49.9 Å²	49.9	50%	0.503	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	149.6	170.6	56.8	0	0	0	0	110.3	E356 V357	E356-T366 CarbonylContact C-O 3.39Å; E356-T366 WeakPolarHBondContact CA-O 3.35Å; V357-T366 WeakPolarHBondContact CG1-OG1 3.39Å; V357-T366 PolarHBondContact N-O 2.83Å; V357-T366 PolarHBondContact O-N 2.85Å
367	Q	98	Very high	95.9	Very high	116 Å²	116	50.7 Å²	50.7	54%	0.542	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	135.5	175.8	-174.5	174.7	-18.2	0	0	109.1
368	V	98.4	Very high	95.8	Very high	23 Å²	23	51 Å²	51	14%	0.139	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	-179.3	174.1	-61.1	0	0	0	0	109.8	Y341 V355 V357 S370 D410	Y341-V368 HydrophobicContact CD1-CG2 4.46Å; Y341-V368 HydrophobicContact CE1-CG2 4.41Å; V355-V368 HydrophobicContact CB-CG2 3.66Å; V355-V368 HydrophobicContact CG1-CG2 3.48Å; V355-V368 VanDerWaalsContact CG1-CG2 3.48Å; V355-V368 PolarHBondContact O-N 3.28Å; V355-V368 VanDerWaalsContact O-N 3.11Å; V357-V368 HydrophobicContact CB-CG1 4.26Å; V357-V368 HydrophobicContact CG1-CG1 3.57Å; V368-S370 PolarHBondContact O-N 2.84Å; V368-D410 WeakPolarHBondContact CB-OD1 3.39Å
369	S	98.4	Very high	95.8	Very high	43 Å²	43	50.9 Å²	50.9	30%	0.301	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-56.2	135.7	-178.8	-74.4	0	0	0	0	112.2	D410 W412	S369-D410 WeakPolarHBondContact CB-O 3.09Å; S369-D410 WeakPolarHBondContact CB-OD1 3.4Å; S369-D410 PolarHBondContact N-OD1 3.13Å; S369-D410 PolarHBondContact OG-O 2.81Å; S369-D410 PolarHBondContact OG-OD1 3.41Å; S369-D410 PolarHBondContact OG-OD2 3.08Å; S369-W412 PolarHBondContact O-NE1 3.33Å
370	S	98.5	Very high	96.1	Very high	48 Å²	48	49.8 Å²	49.8	34%	0.336	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-75.6	151.6	178.9	-60.7	0	0	0	0	111.6	S353 V368 W412	S353-S370 CarbonylContact O-C 3.58Å; S353-S370 WeakPolarHBondContact O-CA 3.47Å; S353-S370 WeakPolarHBondContact O-CB 3.46Å; V368-S370 PolarHBondContact O-N 2.84Å; S370-W412 VanDerWaalsContact C-CD1 3.47Å
371	M	98.5	Very high	96.4	Very high	8 Å²	8	48.7 Å²	48.7	4%	0.039	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-59.5	158.2	169.1	-66.3	-177.4	-67	0	0	111.5	I343 S353 V355 R375 M378 V389 W412	I343-M371 HydrophobicContact CG2-CE 3.78Å; I343-M371 HydrophobicContact CG2-CG 4.3Å; I343-M371 HydrophobicContact CG2-SD 3.52Å; I343-M371 VanDerWaalsContact CG2-SD 3.52Å; S353-M371 WeakPolarHBondContact CB-O 3.34Å; S353-M371 PolarHBondContact O-N 3.31Å; V355-M371 HydrophobicContact CG2-CG 4.41Å; M371-R375 HydrophobicContact CE-CG 3.61Å; M371-R375 HydrophobicContact SD-CG 4.07Å; M371-M378 HydrophobicContact CE-SD 4.32Å; M371-V389 HydrophobicContact SD-CB 4.36Å; M371-V389 HydrophobicContact SD-CG1 4.09Å; M371-V389 HydrophobicContact SD-CG2 4.13Å; M371-W412 HydrophobicContact CB-CD2 4.47Å; M371-W412 HydrophobicContact CG-CD2 3.89Å; M371-W412 HydrophobicContact CG-CE3 4.06Å; M371-W412 HydrophobicContact CG-CH2 3.8Å; M371-W412 HydrophobicContact CG-CZ2 3.63Å; M371-W412 HydrophobicContact CG-CZ3 4.01Å; M371-W412 HydrophobicContact SD-CH2 4.24Å; M371-W412 HydrophobicContact SD-CZ3 4.47Å
372	N	97.8	Very high	96.9	Very high	102 Å²	102	42.5 Å²	42.5	55%	0.545	25%	0.249	S	C	.	.	S	Bend	trans	-68.9	-35.7	176.1	-61.8	-85.5	0	0	0	111.7	E403	N372-E403 VanDerWaalsContact CB-OE2 3.28Å; N372-E403 WeakPolarHBondContact CB-OE2 3.47Å; N372-E403 PolarHBondContact N-OE2 2.81Å; N372-E403 PolarHBondContact ND2-OE2 2.78Å
373	S	95.7	Very high	97	Very high	51 Å²	51	38.3 Å²	38.3	36%	0.357	22%	0.223	S	C	.	.	S	Bend	trans	-121	136.4	178	-62.2	0	0	0	0	111.9	E403	S373-E403 PolarHBondContact N-OE1 3.01Å; S373-E403 VanDerWaalsContact N-OE1 3.13Å
374	Q	97.9	Very high	96.7	Very high	93 Å²	93	37.2 Å²	37.2	44%	0.435	22%	0.217	S	C	.	.			trans	-66.1	139.9	169.8	68.9	-178.7	50.2	0	0	111	R351 D394	R351-Q374 HydrophobicContact CB-CB 4.26Å; R351-Q374 HydrophobicContact CB-CG 4.18Å; R351-Q374 WeakPolarHBondContact O-CB 3.36Å; Q374-D394 PolarHBondContact NE2-O 3.02Å; Q374-D394 WeakPolarHBondContact O-CA 3.33Å; Q374-D394 WeakPolarHBondContact O-CB 3.34Å
375	R	98.3	Very high	96.3	Very high	1 Å²	1	37.8 Å²	37.8	0%	0.004	22%	0.223	C	C	.	.			trans	-160.1	155.6	-179.8	52	-174.6	78.5	-140.4	10.7	112.1	G345 L352 M371 M378 G391 Y393 L399 S401 E403	G345-R375 PolarHBondContact N-O 2.83Å; L352-R375 PolarHBondContact O-N 2.98Å; L352-R375 VanDerWaalsContact O-N 3.07Å; M371-R375 HydrophobicContact CE-CG 3.61Å; M371-R375 HydrophobicContact SD-CG 4.07Å; R375-M378 VanDerWaalsContact C-CE 3.43Å; R375-M378 HydrophobicContact CB-CE 4.23Å; R375-M378 HydrophobicContact CG-CE 3.79Å; R375-M378 HydrophobicContact CG-SD 3.75Å; R375-M378 WeakPolarHBondContact O-CE 3.25Å; R375-G391 WeakPolarHBondContact CD-O 3.48Å; R375-G391 PolarHBondContact NH1-O 2.87Å; R375-Y393 CarbonylContact C-O 3.56Å; R375-Y393 WeakPolarHBondContact CA-O 3.36Å; R375-L399 HydrophobicContact CB-CD1 4.04Å; R375-L399 VanDerWaalsContact NH1-CD1 3.33Å; R375-S401 PolarHBondContact NH1-O 2.95Å; R375-S401 VanDerWaalsContact NH1-O 3.13Å; R375-S401 PolarHBondContact NH1-OG 2.89Å; R375-S401 PolarHBondContact NH2-OG 3.08Å; R375-E403 IonicContact CZ-OE1 3.2Å; R375-E403 IonicContact NE-OE1 2.73Å; R375-E403 IonicContact NH2-OE1 2.82Å; R375-E403 PolarHBondContact NH2-OE1 2.8Å
376	S	98.3	Very high	96.1	Very high	3 Å²	3	39.9 Å²	39.9	2%	0.021	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-133	162.1	170.3	62.6	0	0	0	0	109.6	M378 G392 Y393	S376-M378 VanDerWaalsContact CA-CE 3.43Å; S376-M378 PolarHBondContact O-N 2.82Å; S376-M378 VanDerWaalsContact O-N 3.17Å; S376-G392 CarbonylContact O-C 3.54Å; S376-G392 VanDerWaalsContact O-CA 3.29Å; S376-G392 WeakPolarHBondContact O-CA 3.34Å; S376-Y393 PolarHBondContact N-O 2.84Å; S376-Y393 PolarHBondContact O-N 2.8Å; S376-Y393 PolarHBondContact OG-O 2.72Å
377	A	97.5	Very high	96.1	Very high	21 Å²	21	36 Å²	36	17%	0.174	21%	0.21	C	C	.	.	S	Bend	trans	53.1	36.9	179.1	0	0	0	0	0	113.6	R330 G392 A424	R330-A377 HydrophobicContact CB-CB 4.14Å; R330-A377 HydrophobicContact CG-CB 4.44Å; R330-A377 PolarHBondContact O-N 3.07Å; A377-G392 WeakPolarHBondContact O-CA 3.32Å; A377-A424 HydrophobicContact CB-CB 4.35Å; A377-A424 PolarHBondContact O-N 2.88Å
378	M	97.7	Very high	96.1	Very high	15 Å²	15	31.3 Å²	31.3	7%	0.074	19%	0.187	C	C	.	.			trans	-81.4	160.4	172.7	68.7	-141.4	76.1	0	0	110.5	I343 M371 R375 S376 V389	I343-M378 HydrophobicContact CG2-SD 4.23Å; M371-M378 HydrophobicContact CE-SD 4.32Å; R375-M378 VanDerWaalsContact C-CE 3.43Å; R375-M378 HydrophobicContact CB-CE 4.23Å; R375-M378 HydrophobicContact CG-CE 3.79Å; R375-M378 HydrophobicContact CG-SD 3.75Å; R375-M378 WeakPolarHBondContact O-CE 3.25Å; S376-M378 VanDerWaalsContact CA-CE 3.43Å; S376-M378 PolarHBondContact O-N 2.82Å; S376-M378 VanDerWaalsContact O-N 3.17Å; M378-V389 HydrophobicContact CB-CG1 3.66Å; M378-V389 HydrophobicContact CG-CG1 3.55Å; M378-V389 HydrophobicContact SD-CG1 3.52Å; M378-V389 VanDerWaalsContact SD-CG1 3.52Å
379	G	97.2	Very high	96.1	Very high	4 Å²	4	30.2 Å²	30.2	4%	0.041	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	142.8	160.9	0	0	0	0	0	110.8	V389 C390 V427	G379-V389 CarbonylContact O-C 3.43Å; G379-V389 WeakPolarHBondContact O-CA 3.15Å; G379-C390 PolarHBondContact N-O 3.29Å; G379-C390 PolarHBondContact O-N 2.85Å; G379-V427 VanDerWaalsContact CA-CG2 3.5Å
380	T	97.6	Very high	96.1	Very high	22 Å²	22	28.2 Å²	28.2	14%	0.135	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	131.5	179.3	-54.5	0	0	0	0	109.8	G332 A334 I343 I387 Y388 V389	G332-T380 VanDerWaalsContact CA-OG1 3.25Å; G332-T380 WeakPolarHBondContact CA-OG1 3.45Å; A334-T380 HydrophobicContact CB-CG2 3.8Å; I343-T380 HydrophobicContact CD1-CG2 3.77Å; T380-I387 HydrophobicContact CG2-CG2 3.85Å; T380-Y388 WeakPolarHBondContact CA-O 3.48Å; T380-V389 HydrophobicContact CG2-CG2 4.38Å
381	V	97.6	Very high	96.1	Very high	12 Å²	12	25.9 Å²	25.9	7%	0.073	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	162.8	178	-71.1	0	0	0	0	111.6	I387 Y388 V427 V429 I434	V381-I387 WeakPolarHBondContact O-CA 3.43Å; V381-Y388 PolarHBondContact N-O 2.9Å; V381-Y388 PolarHBondContact O-N 2.93Å; V381-V427 HydrophobicContact CB-CG1 4.49Å; V381-V427 HydrophobicContact CG1-CB 4.22Å; V381-V427 HydrophobicContact CG1-CG1 3.63Å; V381-V427 HydrophobicContact CG2-CG1 4.06Å; V381-V429 HydrophobicContact CB-CG2 4Å; V381-V429 HydrophobicContact CG1-CG2 4.42Å; V381-V429 HydrophobicContact CG2-CG2 4.29Å; V381-I434 HydrophobicContact CG2-CB 4.35Å; V381-I434 HydrophobicContact CG2-CD1 3.84Å; V381-I434 HydrophobicContact CG2-CG1 3.89Å; V381-I434 HydrophobicContact CG2-CG2 3.69Å
382	V	96.3	Very high	96.1	Very high	42 Å²	42	25.5 Å²	25.5	26%	0.255	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	128.4	173.2	-177.6	0	0	0	0	109.6	A334 V335 V336 H386 I387 V429	A334-V382 HydrophobicContact CB-CG2 3.67Å; V335-V382 WeakPolarHBondContact O-CG2 3.34Å; V336-V382 HydrophobicContact CB-CG1 4Å; V336-V382 HydrophobicContact CB-CG2 4.35Å; V336-V382 HydrophobicContact CG2-CG1 4.07Å; V382-H386 VanDerWaalsContact CA-O 3.3Å; V382-H386 WeakPolarHBondContact CA-O 3.49Å; V382-I387 HydrophobicContact CG2-CG1 4.05Å; V382-V429 WeakPolarHBondContact O-CG2 3.23Å
383	I	90.5	Very high	96.2	Very high	10 Å²	10	24.1 Å²	24.1	5%	0.051	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	138.3	169.7	-168.5	162.2	0	0	0	108.9	G385 H386 Y388 V429 G432 I434 H454	I383-G385 PolarHBondContact O-N 3.46Å; I383-H386 PolarHBondContact N-O 3.01Å; I383-H386 PolarHBondContact O-N 2.86Å; I383-Y388 HydrophobicContact CG2-CD2 3.65Å; I383-Y388 HydrophobicContact CG2-CE2 3.36Å; I383-V429 HydrophobicContact CB-CG2 4.1Å; I383-V429 HydrophobicContact CD1-CG1 3.92Å; I383-V429 HydrophobicContact CD1-CG2 4.45Å; I383-V429 HydrophobicContact CG1-CG1 4.48Å; I383-G432 VanDerWaalsContact CD1-C 3.45Å; I383-G432 WeakPolarHBondContact CD1-O 3.5Å; I383-I434 HydrophobicContact CG2-CD1 3.88Å; I383-I434 HydrophobicContact CG2-CG1 4.04Å; I383-H454 VanDerWaalsContact CD1-CE1 3.5Å; I383-H454 WeakPolarHBondContact CD1-CE1 3.49Å
384	D	84.8	Confident	96.2	Very high	49 Å²	49	23.5 Å²	23.5	26%	0.262	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.4	41	-179.4	-67.9	14.2	0	0	0	113.5	H386 H454 H455	D384-H386 PolarHBondContact O-N 3.23Å; D384-H386 PolarHBondContact O-ND1 3.04Å; D384-H454 IonicContact OD2-CE1 2.66Å; D384-H454 IonicContact OD2-NE2 3.74Å; D384-H454 PolarHBondContact OD2-NE2 2.61Å; D384-H455 IonicContact OD2-NE2 3.58Å
385	G	86.8	Confident	96.1	Very high	34 Å²	34	20 Å²	20	35%	0.351	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.1	6.2	179.8	0	0	0	0	0	115.1	V336 I383 P407	V336-G385 WeakPolarHBondContact CG2-O 3.28Å; I383-G385 PolarHBondContact O-N 3.46Å; G385-P407 WeakPolarHBondContact O-CD 3.49Å
386	H	94.3	Very high	95.9	Very high	59 Å²	59	28.7 Å²	28.7	27%	0.273	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	144.1	179.3	-67.8	76.6	0	0	0	110.9	V382 I383 D384 Y388 Y405	V382-H386 VanDerWaalsContact CA-O 3.3Å; V382-H386 WeakPolarHBondContact CA-O 3.49Å; I383-H386 PolarHBondContact N-O 3.01Å; I383-H386 PolarHBondContact O-N 2.86Å; D384-H386 PolarHBondContact O-N 3.23Å; D384-H386 PolarHBondContact O-ND1 3.04Å; H386-Y388 HydrophobicContact CB-CD2 4.41Å; H386-Y388 HydrophobicContact CB-CE2 3.76Å; H386-Y405 WeakPolarHBondContact CA-O 3.35Å
387	I	98.6	Very high	95.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	126.9	177.4	-56	172	0	0	0	108.9	A334 V336 Y341 I343 T380 V381 V382 C404 Y405	A334-I387 HydrophobicContact CB-CB 4.5Å; A334-I387 HydrophobicContact CB-CD1 3.93Å; A334-I387 HydrophobicContact CB-CG1 3.99Å; A334-I387 HydrophobicContact CB-CG2 3.76Å; V336-I387 HydrophobicContact CG1-CD1 3.88Å; V336-I387 HydrophobicContact CG1-CG1 4.04Å; Y341-I387 HydrophobicContact CD1-CD1 3.77Å; Y341-I387 HydrophobicContact CD2-CD1 3.74Å; Y341-I387 HydrophobicContact CE1-CD1 4.2Å; Y341-I387 HydrophobicContact CE2-CD1 4.18Å; Y341-I387 HydrophobicContact CG-CD1 3.52Å; I343-I387 HydrophobicContact CD1-CD1 4.33Å; I343-I387 HydrophobicContact CD1-CG2 3.63Å; T380-I387 HydrophobicContact CG2-CG2 3.85Å; V381-I387 WeakPolarHBondContact O-CA 3.43Å; V382-I387 HydrophobicContact CG2-CG1 4.05Å; I387-C404 CarbonylContact O-C 3.46Å; I387-C404 WeakPolarHBondContact O-CA 3.46Å; I387-Y405 HydrophobicContact CB-CD1 4.45Å; I387-Y405 HydrophobicContact CD1-CD1 3.91Å; I387-Y405 HydrophobicContact CD1-CE1 4.44Å; I387-Y405 HydrophobicContact CG1-CD1 4.36Å; I387-Y405 PolarHBondContact N-O 2.84Å; I387-Y405 PolarHBondContact O-N 2.8Å
388	Y	98.6	Very high	95.8	Very high	18 Å²	18	30.8 Å²	30.8	7%	0.071	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	137.7	175.1	-69.9	-102.2	0	0	0	110.4	T380 V381 I383 H386 V402 E403 C404 V415 I434 Y452	T380-Y388 WeakPolarHBondContact CA-O 3.48Å; V381-Y388 PolarHBondContact N-O 2.9Å; V381-Y388 PolarHBondContact O-N 2.93Å; I383-Y388 HydrophobicContact CG2-CD2 3.65Å; I383-Y388 HydrophobicContact CG2-CE2 3.36Å; H386-Y388 HydrophobicContact CB-CD2 4.41Å; H386-Y388 HydrophobicContact CB-CE2 3.76Å; Y388-V402 HydrophobicContact CD1-CG1 4.45Å; Y388-E403 CarbonylContact C-O 3.58Å; Y388-E403 WeakPolarHBondContact CA-O 3.49Å; Y388-C404 HydrophobicContact CD1-CB 3.9Å; Y388-C404 HydrophobicContact CE1-CB 3.67Å; Y388-C404 VanDerWaalsContact CZ-SG 3.53Å; Y388-V415 HydrophobicContact CD1-CG2 4.47Å; Y388-V415 HydrophobicContact CE1-CG2 4.45Å; Y388-I434 HydrophobicContact CD1-CD1 3.75Å; Y388-I434 HydrophobicContact CD2-CD1 3.68Å; Y388-I434 HydrophobicContact CE1-CD1 4.32Å; Y388-I434 HydrophobicContact CE2-CD1 4.26Å; Y388-I434 HydrophobicContact CG-CD1 3.38Å; Y388-Y452 HydrophobicContact CD1-CE1 4.32Å; Y388-Y452 AromaticContact CE1-CE1 3.82Å; Y388-Y452 HydrophobicContact CE1-CE1 3.82Å
389	V	98.5	Very high	95.9	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	119	175.7	178.3	0	0	0	0	109.1	I343 M371 M378 G379 T380 V402 E403 W412	I343-V389 HydrophobicContact CG2-CG2 3.85Å; M371-V389 HydrophobicContact SD-CB 4.36Å; M371-V389 HydrophobicContact SD-CG1 4.09Å; M371-V389 HydrophobicContact SD-CG2 4.13Å; M378-V389 HydrophobicContact CB-CG1 3.66Å; M378-V389 HydrophobicContact CG-CG1 3.55Å; M378-V389 HydrophobicContact SD-CG1 3.52Å; M378-V389 VanDerWaalsContact SD-CG1 3.52Å; G379-V389 CarbonylContact O-C 3.43Å; G379-V389 WeakPolarHBondContact O-CA 3.15Å; T380-V389 HydrophobicContact CG2-CG2 4.38Å; V389-V402 VanDerWaalsContact O-CA 3.28Å; V389-V402 WeakPolarHBondContact O-CA 3.34Å; V389-V402 WeakPolarHBondContact O-CG1 3.23Å; V389-E403 PolarHBondContact N-O 2.89Å; V389-E403 PolarHBondContact O-N 3.26Å; V389-W412 HydrophobicContact CB-CZ3 4.31Å; V389-W412 HydrophobicContact CG2-CH2 3.63Å; V389-W412 HydrophobicContact CG2-CZ3 3.77Å
390	C	98.4	Very high	95.9	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	120.6	-174.3	-55.7	0	0	0	0	110.9	G379 M418 V427 V436	G379-C390 PolarHBondContact N-O 3.29Å; G379-C390 PolarHBondContact O-N 2.85Å; C390-M418 HydrophobicContact CB-SD 4.02Å; C390-V427 HydrophobicContact CB-CG2 4.45Å; C390-V436 HydrophobicContact CB-CG2 4.1Å
391	G	98.3	Very high	95.9	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.181	C	C	.	.			trans	61.5	-139.2	173.5	0	0	0	0	0	113.9	R375 L399 S401	R375-G391 WeakPolarHBondContact CD-O 3.48Å; R375-G391 PolarHBondContact NH1-O 2.87Å; G391-L399 WeakPolarHBondContact CA-O 3.38Å; G391-S401 PolarHBondContact N-O 3.46Å; G391-S401 VanDerWaalsContact N-O 3.08Å
392	G	98.3	Very high	96	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.177	C	C	.	.			trans	101.1	-167.7	-174.1	0	0	0	0	0	112.7	S376 A377 S398 L399 R422	S376-G392 CarbonylContact O-C 3.54Å; S376-G392 VanDerWaalsContact O-CA 3.29Å; S376-G392 WeakPolarHBondContact O-CA 3.34Å; A377-G392 WeakPolarHBondContact O-CA 3.32Å; G392-S398 CarbonylContact O-C 3.31Å; G392-S398 WeakPolarHBondContact O-CA 3.45Å; G392-L399 PolarHBondContact O-N 3.07Å; G392-R422 PolarHBondContact N-O 3.36Å
393	Y	98.4	Very high	96.1	Very high	73 Å²	73	30.4 Å²	30.4	29%	0.286	17%	0.165	S	C	.	.	B	Isolated β-bridge	trans	-128.5	120.7	-174.4	-175.4	-109.7	0	0	0	110.4	R375 S376 G395 K396 S397	R375-Y393 CarbonylContact C-O 3.56Å; R375-Y393 WeakPolarHBondContact CA-O 3.36Å; S376-Y393 PolarHBondContact N-O 2.84Å; S376-Y393 PolarHBondContact O-N 2.8Å; S376-Y393 PolarHBondContact OG-O 2.72Å; Y393-G395 VanDerWaalsContact C-N 3.33Å; Y393-G395 VanDerWaalsContact CZ-C 3.47Å; Y393-G395 PolarHBondContact OH-O 2.96Å; Y393-K396 PolarHBondContact OH-O 3.45Å; Y393-S397 VanDerWaalsContact CD2-O 3.25Å; Y393-S397 WeakPolarHBondContact CD2-O 3.48Å
394	D	97.1	Very high	96.5	Very high	37 Å²	37	30.3 Å²	30.3	20%	0.198	17%	0.165	C	C	.	.			trans	-83	-9.2	-177.2	67.4	-8	0	0	0	113.8	Q374 K396 S397 L399	Q374-D394 PolarHBondContact NE2-O 3.02Å; Q374-D394 WeakPolarHBondContact O-CA 3.33Å; Q374-D394 WeakPolarHBondContact O-CB 3.34Å; D394-K396 WeakPolarHBondContact OD1-CA 3.47Å; D394-K396 PolarHBondContact OD1-N 2.94Å; D394-S397 PolarHBondContact N-O 2.92Å; D394-S397 PolarHBondContact OD1-N 3.12Å; D394-S397 VanDerWaalsContact OD1-O 3.05Å; D394-L399 HydrophobicContact CB-CD1 4.16Å; D394-L399 HydrophobicContact CB-CD2 4.18Å; D394-L399 HydrophobicContact CB-CG 4.37Å
395	G	95.1	Very high	97.1	Very high	20 Å²	20	28.1 Å²	28.1	21%	0.206	15%	0.154	C	C	.	.	S	Bend	trans	108.7	-7.5	-173.8	0	0	0	0	0	115.1	Y393	Y393-G395 VanDerWaalsContact C-N 3.33Å; Y393-G395 VanDerWaalsContact CZ-C 3.47Å; Y393-G395 PolarHBondContact OH-O 2.96Å
396	K	94.8	Very high	97.6	Very high	183 Å²	183	27.1 Å²	27.1	80%	0.796	14%	0.142	S	C	*	.	S	Bend	trans	-121.4	-50.9	174.9	-63.3	178.4	-178.4	175.2	0	110.5	Y393 D394	Y393-K396 PolarHBondContact OH-O 3.45Å; D394-K396 WeakPolarHBondContact OD1-CA 3.47Å; D394-K396 PolarHBondContact OD1-N 2.94Å
397	S	96	Very high	97.5	Very high	61 Å²	61	25.6 Å²	25.6	43%	0.427	14%	0.137	S	C	.	.	S	Bend	trans	-141.5	157.2	-174.2	46.1	0	0	0	0	112.9	Y393 D394	Y393-S397 VanDerWaalsContact CD2-O 3.25Å; Y393-S397 WeakPolarHBondContact CD2-O 3.48Å; D394-S397 PolarHBondContact N-O 2.92Å; D394-S397 PolarHBondContact OD1-N 3.12Å; D394-S397 VanDerWaalsContact OD1-O 3.05Å
398	S	98	Very high	97.2	Very high	8 Å²	8	33.8 Å²	33.8	6%	0.056	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-64.4	143.2	164.1	-73.2	0	0	0	0	109.6	G392 S421 S423 H440	G392-S398 CarbonylContact O-C 3.31Å; G392-S398 WeakPolarHBondContact O-CA 3.45Å; S398-S421 VanDerWaalsContact O-CB 3.31Å; S398-S421 WeakPolarHBondContact O-CB 3.29Å; S398-S421 PolarHBondContact O-OG 3.4Å; S398-S423 WeakPolarHBondContact OG-CB 3.35Å; S398-S423 PolarHBondContact OG-OG 2.95Å; S398-H440 PolarHBondContact OG-O 3.01Å
399	L	98.3	Very high	96.9	Very high	21 Å²	21	36.8 Å²	36.8	11%	0.11	20%	0.195	C	C	.	.			trans	-103	147.8	-178.7	-57.8	176.1	0	0	0	110.6	R375 G391 G392 D394 S421 R422	R375-L399 HydrophobicContact CB-CD1 4.04Å; R375-L399 VanDerWaalsContact NH1-CD1 3.33Å; G391-L399 WeakPolarHBondContact CA-O 3.38Å; G392-L399 PolarHBondContact O-N 3.07Å; D394-L399 HydrophobicContact CB-CD1 4.16Å; D394-L399 HydrophobicContact CB-CD2 4.18Å; D394-L399 HydrophobicContact CB-CG 4.37Å; L399-S421 WeakPolarHBondContact O-CA 3.38Å; L399-R422 PolarHBondContact O-N 2.91Å
400	N	98.1	Very high	96.8	Very high	40 Å²	40	39.7 Å²	39.7	21%	0.214	21%	0.211	C	C	.	.			trans	-104.9	-10.8	164.1	66.4	-28.4	0	0	0	112.1	E417 M418 S421	N400-E417 VanDerWaalsContact ND2-CD 3.3Å; N400-E417 PolarHBondContact ND2-OE2 3.29Å; N400-M418 HydrophobicContact CB-CB 4.23Å; N400-M418 PolarHBondContact ND2-O 2.96Å; N400-M418 PolarHBondContact O-N 3.3Å; N400-S421 PolarHBondContact N-OG 3.36Å
401	S	98.4	Very high	96.8	Very high	24 Å²	24	48.5 Å²	48.5	17%	0.168	24%	0.244	C	C	.	.			trans	-63.6	144.3	-179.5	61.3	0	0	0	0	112.1	R375 G391	R375-S401 PolarHBondContact NH1-O 2.95Å; R375-S401 VanDerWaalsContact NH1-O 3.13Å; R375-S401 PolarHBondContact NH1-OG 2.89Å; R375-S401 PolarHBondContact NH2-OG 3.08Å; G391-S401 PolarHBondContact N-O 3.46Å; G391-S401 VanDerWaalsContact N-O 3.08Å
402	V	98.6	Very high	96.8	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	133	-178.2	-173.4	0	0	0	0	108.2	Y388 V389 V415 M418 W459	Y388-V402 HydrophobicContact CD1-CG1 4.45Å; V389-V402 VanDerWaalsContact O-CA 3.28Å; V389-V402 WeakPolarHBondContact O-CA 3.34Å; V389-V402 WeakPolarHBondContact O-CG1 3.23Å; V402-V415 HydrophobicContact CB-CG2 3.66Å; V402-V415 HydrophobicContact CG1-CG2 3.45Å; V402-V415 VanDerWaalsContact CG1-CG2 3.45Å; V402-V415 PolarHBondContact O-N 2.88Å; V402-M418 HydrophobicContact CG2-CG 3.86Å; V402-W459 HydrophobicContact CG2-CZ2 3.69Å
403	E	98.4	Very high	96.8	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.005	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	140.9	178.5	-56.8	-172.9	-134.7	0	0	110	N372 S373 R375 Y388 V389 W412 S413 V414	N372-E403 VanDerWaalsContact CB-OE2 3.28Å; N372-E403 WeakPolarHBondContact CB-OE2 3.47Å; N372-E403 PolarHBondContact N-OE2 2.81Å; N372-E403 PolarHBondContact ND2-OE2 2.78Å; S373-E403 PolarHBondContact N-OE1 3.01Å; S373-E403 VanDerWaalsContact N-OE1 3.13Å; R375-E403 IonicContact CZ-OE1 3.2Å; R375-E403 IonicContact NE-OE1 2.73Å; R375-E403 IonicContact NH2-OE1 2.82Å; R375-E403 PolarHBondContact NH2-OE1 2.8Å; Y388-E403 CarbonylContact C-O 3.58Å; Y388-E403 WeakPolarHBondContact CA-O 3.49Å; V389-E403 PolarHBondContact N-O 2.89Å; V389-E403 PolarHBondContact O-N 3.26Å; E403-W412 HydrophobicContact CB-CE3 3.64Å; E403-W412 HydrophobicContact CB-CZ3 3.95Å; E403-S413 CarbonylContact C-O 3.53Å; E403-S413 WeakPolarHBondContact CA-O 3.34Å; E403-V414 HydrophobicContact CG-CG2 4.49Å
404	C	98.4	Very high	96.8	Very high	8 Å²	8	53.9 Å²	53.9	5%	0.054	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	127.6	178.4	176.8	0	0	0	0	109.8	I387 Y388 W412 S413 V415	I387-C404 CarbonylContact O-C 3.46Å; I387-C404 WeakPolarHBondContact O-CA 3.46Å; Y388-C404 HydrophobicContact CD1-CB 3.9Å; Y388-C404 HydrophobicContact CE1-CB 3.67Å; Y388-C404 VanDerWaalsContact CZ-SG 3.53Å; C404-W412 CarbonylContact O-C 3.59Å; C404-W412 WeakPolarHBondContact O-CA 3.48Å; C404-S413 PolarHBondContact N-O 2.97Å; C404-S413 PolarHBondContact O-N 2.89Å; C404-S413 PolarHBondContact O-OG 2.85Å; C404-V415 HydrophobicContact CB-CG1 3.78Å
405	Y	98.6	Very high	96.8	Very high	3 Å²	3	53.3 Å²	53.3	1%	0.012	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	132.2	176.5	176.7	-104.2	0	0	0	111.1	Y341 H386 I387 P407 D410 R411 W412	Y341-Y405 HydrophobicContact CD1-CE1 4.37Å; Y341-Y405 AromaticContact CE1-CE1 3.76Å; Y341-Y405 HydrophobicContact CE1-CE1 3.76Å; H386-Y405 WeakPolarHBondContact CA-O 3.35Å; I387-Y405 HydrophobicContact CB-CD1 4.45Å; I387-Y405 HydrophobicContact CD1-CD1 3.91Å; I387-Y405 HydrophobicContact CD1-CE1 4.44Å; I387-Y405 HydrophobicContact CG1-CD1 4.36Å; I387-Y405 PolarHBondContact N-O 2.84Å; I387-Y405 PolarHBondContact O-N 2.8Å; Y405-P407 HydrophobicContact CD1-CG 4.03Å; Y405-P407 HydrophobicContact CE1-CB 4.06Å; Y405-P407 HydrophobicContact CE1-CG 3.88Å; Y405-P407 WeakPolarHBondContact O-CD 3.37Å; Y405-D410 WeakPolarHBondContact CE2-OD1 3.19Å; Y405-D410 PolarHBondContact OH-OD1 3.01Å; Y405-R411 WeakPolarHBondContact CA-O 3.16Å; Y405-W412 AromaticContact CD2-CD1 3.61Å; Y405-W412 AromaticContact CD2-CD2 3.94Å; Y405-W412 HydrophobicContact CD2-CD2 3.94Å; Y405-W412 AromaticContact CD2-CE2 3.53Å; Y405-W412 AromaticContact CD2-CG 3.98Å; Y405-W412 HydrophobicContact CD2-CG 3.98Å; Y405-W412 HydrophobicContact CD2-CZ2 4.05Å; Y405-W412 AromaticContact CD2-NE1 3.31Å; Y405-W412 VanDerWaalsContact CD2-NE1 3.31Å; Y405-W412 AromaticContact CE2-NE1 3.9Å; Y405-W412 HydrophobicContact CG-CD2 4.21Å; Y405-W412 AromaticContact CG-CE2 3.8Å; Y405-W412 HydrophobicContact CG-CH2 4.37Å; Y405-W412 AromaticContact CG-CZ2 3.88Å; Y405-W412 HydrophobicContact CG-CZ2 3.88Å
406	S	95.9	Very high	96.9	Very high	14 Å²	14	55 Å²	55	10%	0.098	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	109.8	171.3	171.2	0	0	0	0	109.4	E408 T409 D410 R411	S406-E408 PolarHBondContact O-N 3.08Å; S406-T409 VanDerWaalsContact CB-OG1 3.23Å; S406-T409 WeakPolarHBondContact CB-OG1 3.44Å; S406-T409 PolarHBondContact O-N 3.03Å; S406-T409 PolarHBondContact OG-N 2.76Å; S406-T409 PolarHBondContact OG-OG1 2.79Å; S406-T409 VanDerWaalsContact OG-OG1 3.07Å; S406-D410 WeakPolarHBondContact O-CA 3.43Å; S406-D410 PolarHBondContact O-N 3.1Å; S406-R411 PolarHBondContact N-O 3.04Å; S406-R411 PolarHBondContact O-N 2.8Å
407	P	93.6	Very high	97	Very high	26 Å²	26	51.8 Å²	51.8	17%	0.169	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-30.8	175.1	-24.9	34.5	0	0	0	113.6	V336 G385 Y405	V336-P407 HydrophobicContact CG1-CG 3.78Å; V336-P407 HydrophobicContact CG2-CG 4.3Å; G385-P407 WeakPolarHBondContact O-CD 3.49Å; Y405-P407 HydrophobicContact CD1-CG 4.03Å; Y405-P407 HydrophobicContact CE1-CB 4.06Å; Y405-P407 HydrophobicContact CE1-CG 3.88Å; Y405-P407 WeakPolarHBondContact O-CD 3.37Å
408	E	91.3	Very high	97.1	Very high	172 Å²	172	49 Å²	49	80%	0.804	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-36.7	-179.1	-62.9	-175.7	170.7	0	0	112.8	S406	S406-E408 PolarHBondContact O-N 3.08Å
409	T	92.9	Very high	97.1	Very high	82 Å²	82	53 Å²	53	50%	0.503	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-6.8	-176.6	60.6	0	0	0	0	113.4	S406 R411	S406-T409 VanDerWaalsContact CB-OG1 3.23Å; S406-T409 WeakPolarHBondContact CB-OG1 3.44Å; S406-T409 PolarHBondContact O-N 3.03Å; S406-T409 PolarHBondContact OG-N 2.76Å; S406-T409 PolarHBondContact OG-OG1 2.79Å; S406-T409 VanDerWaalsContact OG-OG1 3.07Å; T409-R411 VanDerWaalsContact C-N 3.32Å; T409-R411 WeakPolarHBondContact O-CG 3.37Å; T409-R411 PolarHBondContact O-N 3.22Å
410	D	97	Very high	96.9	Very high	61 Å²	61	54 Å²	54	33%	0.326	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.4	51.1	-171.4	-175.8	34.8	0	0	0	111.7	V368 S369 Y405 S406	V368-D410 WeakPolarHBondContact CB-OD1 3.39Å; S369-D410 WeakPolarHBondContact CB-O 3.09Å; S369-D410 WeakPolarHBondContact CB-OD1 3.4Å; S369-D410 PolarHBondContact N-OD1 3.13Å; S369-D410 PolarHBondContact OG-O 2.81Å; S369-D410 PolarHBondContact OG-OD1 3.41Å; S369-D410 PolarHBondContact OG-OD2 3.08Å; Y405-D410 WeakPolarHBondContact CE2-OD1 3.19Å; Y405-D410 PolarHBondContact OH-OD1 3.01Å; S406-D410 WeakPolarHBondContact O-CA 3.43Å; S406-D410 PolarHBondContact O-N 3.1Å
411	R	97.9	Very high	96.9	Very high	185 Å²	185	54 Å²	54	70%	0.698	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.7	140.6	-177.4	-73.1	-179.4	-175.8	-150.1	-0.1	112.7	Y405 S406 T409	Y405-R411 WeakPolarHBondContact CA-O 3.16Å; S406-R411 PolarHBondContact N-O 3.04Å; S406-R411 PolarHBondContact O-N 2.8Å; T409-R411 VanDerWaalsContact C-N 3.32Å; T409-R411 WeakPolarHBondContact O-CG 3.37Å; T409-R411 PolarHBondContact O-N 3.22Å
412	W	98.5	Very high	96.9	Very high	27 Å²	27	53 Å²	53	10%	0.102	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	141.3	168.9	-70.4	90	0	0	0	110.8	I343 V355 S369 S370 M371 V389 E403 C404 Y405	I343-W412 HydrophobicContact CG2-CH2 4.17Å; I343-W412 HydrophobicContact CG2-CZ2 4.36Å; V355-W412 HydrophobicContact CG2-CZ2 3.84Å; S369-W412 PolarHBondContact O-NE1 3.33Å; S370-W412 VanDerWaalsContact C-CD1 3.47Å; M371-W412 HydrophobicContact CB-CD2 4.47Å; M371-W412 HydrophobicContact CG-CD2 3.89Å; M371-W412 HydrophobicContact CG-CE3 4.06Å; M371-W412 HydrophobicContact CG-CH2 3.8Å; M371-W412 HydrophobicContact CG-CZ2 3.63Å; M371-W412 HydrophobicContact CG-CZ3 4.01Å; M371-W412 HydrophobicContact SD-CH2 4.24Å; M371-W412 HydrophobicContact SD-CZ3 4.47Å; V389-W412 HydrophobicContact CB-CZ3 4.31Å; V389-W412 HydrophobicContact CG2-CH2 3.63Å; V389-W412 HydrophobicContact CG2-CZ3 3.77Å; E403-W412 HydrophobicContact CB-CE3 3.64Å; E403-W412 HydrophobicContact CB-CZ3 3.95Å; C404-W412 CarbonylContact O-C 3.59Å; C404-W412 WeakPolarHBondContact O-CA 3.48Å; Y405-W412 AromaticContact CD2-CD1 3.61Å; Y405-W412 AromaticContact CD2-CD2 3.94Å; Y405-W412 HydrophobicContact CD2-CD2 3.94Å; Y405-W412 AromaticContact CD2-CE2 3.53Å; Y405-W412 AromaticContact CD2-CG 3.98Å; Y405-W412 HydrophobicContact CD2-CG 3.98Å; Y405-W412 HydrophobicContact CD2-CZ2 4.05Å; Y405-W412 AromaticContact CD2-NE1 3.31Å; Y405-W412 VanDerWaalsContact CD2-NE1 3.31Å; Y405-W412 AromaticContact CE2-NE1 3.9Å; Y405-W412 HydrophobicContact CG-CD2 4.21Å; Y405-W412 AromaticContact CG-CE2 3.8Å; Y405-W412 HydrophobicContact CG-CH2 4.37Å; Y405-W412 AromaticContact CG-CZ2 3.88Å; Y405-W412 HydrophobicContact CG-CZ2 3.88Å
413	S	97.6	Very high	96.8	Very high	59 Å²	59	53.2 Å²	53.2	41%	0.413	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	142.9	172.6	57.1	0	0	0	0	109.4	E403 C404	E403-S413 CarbonylContact C-O 3.53Å; E403-S413 WeakPolarHBondContact CA-O 3.34Å; C404-S413 PolarHBondContact N-O 2.97Å; C404-S413 PolarHBondContact O-N 2.89Å; C404-S413 PolarHBondContact O-OG 2.85Å
414	V	97.5	Very high	96.8	Very high	99 Å²	99	53.8 Å²	53.8	60%	0.6	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.3	131.5	172	-178.1	0	0	0	0	107.8	E403	E403-V414 HydrophobicContact CG-CG2 4.49Å
415	V	97.1	Very high	96.7	Very high	25 Å²	25	54 Å²	54	15%	0.152	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	-179.4	176.8	-57.6	0	0	0	0	110.1	Y388 V402 C404 E417	Y388-V415 HydrophobicContact CD1-CG2 4.47Å; Y388-V415 HydrophobicContact CE1-CG2 4.45Å; V402-V415 HydrophobicContact CB-CG2 3.66Å; V402-V415 HydrophobicContact CG1-CG2 3.45Å; V402-V415 VanDerWaalsContact CG1-CG2 3.45Å; V402-V415 PolarHBondContact O-N 2.88Å; C404-V415 HydrophobicContact CB-CG1 3.78Å; V415-E417 PolarHBondContact O-N 3.31Å
416	T	97.8	Very high	96.7	Very high	55 Å²	55	54 Å²	54	34%	0.337	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-55.6	131.3	-177.3	-60	0	0	0	0	112	D457 W459	T416-D457 WeakPolarHBondContact CB-OD1 3.26Å; T416-D457 PolarHBondContact N-OD1 2.84Å; T416-D457 VanDerWaalsContact N-OD1 3.08Å; T416-D457 PolarHBondContact OG1-O 2.8Å; T416-D457 PolarHBondContact OG1-OD1 2.87Å; T416-D457 PolarHBondContact OG1-OD2 2.76Å; T416-W459 PolarHBondContact O-NE1 2.65Å
417	E	98.2	Very high	96.8	Very high	116 Å²	116	54 Å²	54	54%	0.542	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-71.9	151.8	-179.1	62.2	-177	174.7	0	0	112.9	N400 V415 W459	N400-E417 VanDerWaalsContact ND2-CD 3.3Å; N400-E417 PolarHBondContact ND2-OE2 3.29Å; V415-E417 PolarHBondContact O-N 3.31Å; E417-W459 PolarHBondContact O-NE1 2.88Å
418	M	98.2	Very high	96.9	Very high	3 Å²	3	53.5 Å²	53.5	2%	0.015	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-65.2	157.9	172.7	-64	-178.7	-57.2	0	0	111.1	C390 N400 V402 V420 R422 V436 W459	C390-M418 HydrophobicContact CB-SD 4.02Å; N400-M418 HydrophobicContact CB-CB 4.23Å; N400-M418 PolarHBondContact ND2-O 2.96Å; N400-M418 PolarHBondContact O-N 3.3Å; V402-M418 HydrophobicContact CG2-CG 3.86Å; M418-V420 PolarHBondContact O-N 2.85Å; M418-R422 HydrophobicContact CE-CB 4.43Å; M418-V436 HydrophobicContact SD-CB 4.26Å; M418-V436 HydrophobicContact SD-CG1 3.78Å; M418-V436 HydrophobicContact SD-CG2 3.92Å; M418-W459 HydrophobicContact CG-CD2 4.14Å; M418-W459 HydrophobicContact CG-CE3 4.34Å; M418-W459 HydrophobicContact CG-CH2 3.7Å; M418-W459 HydrophobicContact CG-CZ2 3.45Å; M418-W459 VanDerWaalsContact CG-CZ2 3.45Å; M418-W459 HydrophobicContact CG-CZ3 4.14Å; M418-W459 HydrophobicContact SD-CH2 4.13Å; M418-W459 HydrophobicContact SD-CZ2 4.37Å
419	S	96.4	Very high	97.2	Very high	91 Å²	91	47.3 Å²	47.3	64%	0.636	26%	0.264	S	S	*	.	S	Bend	trans	-67.1	-23.4	178.4	61.8	0	0	0	0	113.6	E450	S419-E450 WeakPolarHBondContact CB-OE2 3.24Å; S419-E450 PolarHBondContact N-OE2 2.78Å; S419-E450 VanDerWaalsContact OG-CD 3.31Å; S419-E450 PolarHBondContact OG-OE1 3.06Å; S419-E450 PolarHBondContact OG-OE2 2.82Å
420	V	94.9	Very high	97.1	Very high	44 Å²	44	44.1 Å²	44.1	27%	0.267	24%	0.243	S	C	.	.	S	Bend	trans	-139.3	142	-178	-175.1	0	0	0	0	110.5	M418 R422 F446	M418-V420 PolarHBondContact O-N 2.85Å; V420-R422 HydrophobicContact CB-CG 4.46Å; V420-R422 HydrophobicContact CG1-CG 4.41Å; V420-R422 PolarHBondContact O-N 2.7Å; V420-F446 HydrophobicContact CG1-CE1 4.07Å; V420-F446 HydrophobicContact CG1-CE2 3.92Å; V420-F446 HydrophobicContact CG1-CZ 3.47Å; V420-F446 VanDerWaalsContact CG1-CZ 3.47Å
421	S	97.6	Very high	96.6	Very high	39 Å²	39	44.2 Å²	44.2	27%	0.273	24%	0.244	S	C	.	.			trans	-69	122.4	171.9	-68.8	0	0	0	0	111.5	S398 L399 N400 D441	S398-S421 VanDerWaalsContact O-CB 3.31Å; S398-S421 WeakPolarHBondContact O-CB 3.29Å; S398-S421 PolarHBondContact O-OG 3.4Å; L399-S421 WeakPolarHBondContact O-CA 3.38Å; N400-S421 PolarHBondContact N-OG 3.36Å; S421-D441 WeakPolarHBondContact O-CB 3.24Å
422	R	97.7	Very high	96	Very high	4 Å²	4	36.1 Å²	36.1	2%	0.015	22%	0.218	C	C	.	.			trans	-138.7	134.2	-175.5	-60.4	167.2	-170.8	-80.7	-10.4	110.4	G392 L399 M418 V420 G438 F446 T448 E450	G392-R422 PolarHBondContact N-O 3.36Å; L399-R422 PolarHBondContact O-N 2.91Å; M418-R422 HydrophobicContact CE-CB 4.43Å; V420-R422 HydrophobicContact CB-CG 4.46Å; V420-R422 HydrophobicContact CG1-CG 4.41Å; V420-R422 PolarHBondContact O-N 2.7Å; R422-G438 WeakPolarHBondContact CD-O 3.37Å; R422-G438 PolarHBondContact NH1-O 2.78Å; R422-F446 HydrophobicContact CG-CD2 4.1Å; R422-F446 HydrophobicContact CG-CE2 4.07Å; R422-F446 VanDerWaalsContact NH1-CD2 3.29Å; R422-T448 PolarHBondContact NH1-OG1 3Å; R422-T448 PolarHBondContact NH2-OG1 2.84Å; R422-E450 IonicContact CZ-OE1 2.74Å; R422-E450 IonicContact NE-OE1 3.58Å; R422-E450 PolarHBondContact NE-OE1 2.82Å; R422-E450 IonicContact NH2-OE1 3.53Å
423	S	97.9	Very high	95.8	Very high	3 Å²	3	38.5 Å²	38.5	2%	0.021	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-119	161.3	162.5	61.6	0	0	0	0	110.5	S398 T425 G439 H440	S398-S423 WeakPolarHBondContact OG-CB 3.35Å; S398-S423 PolarHBondContact OG-OG 2.95Å; S423-T425 PolarHBondContact O-N 2.94Å; S423-G439 CarbonylContact O-C 3.47Å; S423-G439 VanDerWaalsContact O-CA 3.25Å; S423-G439 WeakPolarHBondContact O-CA 3.25Å; S423-H440 PolarHBondContact N-O 2.85Å; S423-H440 PolarHBondContact O-N 3.41Å; S423-H440 PolarHBondContact OG-CE1 2.75Å; S423-H440 PolarHBondContact OG-O 2.88Å
424	A	97.7	Very high	95.8	Very high	13 Å²	13	35.7 Å²	35.7	11%	0.107	21%	0.208	C	C	.	.	S	Bend	trans	51.9	42.2	-176.9	0	0	0	0	0	113.1	A377 C470 R471	A377-A424 HydrophobicContact CB-CB 4.35Å; A377-A424 PolarHBondContact O-N 2.88Å; A424-C470 HydrophobicContact CB-CB 4.42Å; A424-C470 CarbonylContact O-C 3.55Å; A424-C470 WeakPolarHBondContact O-CA 3.5Å; A424-R471 HydrophobicContact CB-CB 4.42Å; A424-R471 HydrophobicContact CB-CG 3.58Å; A424-R471 PolarHBondContact O-N 2.93Å
425	T	97.3	Very high	95.8	Very high	12 Å²	12	31.6 Å²	31.6	7%	0.074	18%	0.182	C	C	.	.			trans	-84.7	154.9	174.1	174.3	0	0	0	0	110.6	S423 V427 V436 S437	S423-T425 PolarHBondContact O-N 2.94Å; T425-V427 HydrophobicContact CG2-CG2 3.73Å; T425-V436 HydrophobicContact CG2-CG1 4.01Å; T425-V436 WeakPolarHBondContact OG1-CG1 3.3Å; T425-S437 PolarHBondContact OG1-N 3.09Å; T425-S437 PolarHBondContact OG1-O 3.4Å
426	G	97.3	Very high	95.9	Very high	3 Å²	3	30.4 Å²	30.4	3%	0.031	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	124.4	165.1	0	0	0	0	0	109.7	S437 H472	G426-S437 PolarHBondContact N-O 3.12Å; G426-S437 PolarHBondContact O-N 2.75Å; G426-S437 PolarHBondContact O-OG 2.8Å; G426-H472 PolarHBondContact N-CE1 3.07Å; G426-H472 PolarHBondContact N-NE2 2.97Å
427	V	97.9	Very high	95.9	Very high	15 Å²	15	27.8 Å²	27.8	9%	0.091	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	135.9	-179.8	-173	0	0	0	0	109.9	G379 V381 C390 T425 I434 F435 V436	G379-V427 VanDerWaalsContact CA-CG2 3.5Å; V381-V427 HydrophobicContact CB-CG1 4.49Å; V381-V427 HydrophobicContact CG1-CB 4.22Å; V381-V427 HydrophobicContact CG1-CG1 3.63Å; V381-V427 HydrophobicContact CG2-CG1 4.06Å; C390-V427 HydrophobicContact CB-CG2 4.45Å; T425-V427 HydrophobicContact CG2-CG2 3.73Å; V427-I434 HydrophobicContact CG1-CG2 3.67Å; V427-F435 VanDerWaalsContact CA-O 3.23Å; V427-F435 WeakPolarHBondContact CA-O 3.31Å; V427-F435 WeakPolarHBondContact CG1-O 3.39Å; V427-V436 HydrophobicContact CG1-CG2 4.11Å; V427-V436 HydrophobicContact CG2-CB 4.33Å; V427-V436 HydrophobicContact CG2-CG1 4.18Å; V427-V436 HydrophobicContact CG2-CG2 3.89Å
428	T	97.3	Very high	95.9	Very high	15 Å²	15	22.3 Å²	22.3	9%	0.092	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	160.4	177	-160.8	0	0	0	0	110.9	F430 F435 A475 A476 M481	T428-F430 HydrophobicContact CG2-CB 4.38Å; T428-F435 PolarHBondContact N-O 2.94Å; T428-F435 VanDerWaalsContact N-O 3.08Å; T428-F435 PolarHBondContact O-N 2.66Å; T428-A475 WeakPolarHBondContact OG1-CA 3.28Å; T428-A476 PolarHBondContact OG1-N 2.79Å; T428-M481 HydrophobicContact CG2-CE 3.77Å; T428-M481 HydrophobicContact CG2-CG 3.84Å; T428-M481 HydrophobicContact CG2-SD 3.79Å
429	V	95.8	Very high	95.9	Very high	42 Å²	42	22.1 Å²	22.1	26%	0.255	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	121.3	169.2	175	0	0	0	0	108.6	V381 V382 I383 R433 A476	V381-V429 HydrophobicContact CB-CG2 4Å; V381-V429 HydrophobicContact CG1-CG2 4.42Å; V381-V429 HydrophobicContact CG2-CG2 4.29Å; V382-V429 WeakPolarHBondContact O-CG2 3.23Å; I383-V429 HydrophobicContact CB-CG2 4.1Å; I383-V429 HydrophobicContact CD1-CG1 3.92Å; I383-V429 HydrophobicContact CD1-CG2 4.45Å; I383-V429 HydrophobicContact CG1-CG1 4.48Å; V429-R433 CarbonylContact C-O 3.44Å; V429-R433 VanDerWaalsContact CA-O 3.31Å; V429-R433 WeakPolarHBondContact CA-O 3.37Å; V429-A476 WeakPolarHBondContact O-CB 3.42Å
430	F	92.3	Very high	96	Very high	15 Å²	15	19.8 Å²	19.8	7%	0.066	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	131.3	179.1	-178.7	-118	0	0	0	109.2	T428 G432 R433 F435 A476 H480 M481 L499 G501	T428-F430 HydrophobicContact CG2-CB 4.38Å; F430-G432 PolarHBondContact O-N 3.07Å; F430-R433 PolarHBondContact N-O 2.8Å; F430-R433 PolarHBondContact O-N 3.1Å; F430-F435 HydrophobicContact CB-CD2 3.71Å; F430-F435 HydrophobicContact CB-CE2 4Å; F430-F435 HydrophobicContact CB-CG 4.27Å; F430-F435 HydrophobicContact CD1-CD2 4.25Å; F430-F435 HydrophobicContact CD1-CE1 4.3Å; F430-F435 AromaticContact CD1-CE2 3.85Å; F430-F435 HydrophobicContact CD1-CE2 3.85Å; F430-F435 AromaticContact CD1-CZ 3.89Å; F430-F435 HydrophobicContact CD1-CZ 3.89Å; F430-F435 HydrophobicContact CG-CD2 4.5Å; F430-F435 HydrophobicContact CG-CE2 4.41Å; F430-F435 VanDerWaalsContact O-CE2 3.27Å; F430-F435 WeakPolarHBondContact O-CE2 3.45Å; F430-A476 HydrophobicContact CD2-CB 4.2Å; F430-H480 VanDerWaalsContact CE2-C 3.44Å; F430-M481 HydrophobicContact CB-CB 4.27Å; F430-M481 HydrophobicContact CB-SD 4.44Å; F430-M481 HydrophobicContact CD1-CB 4.06Å; F430-M481 HydrophobicContact CD2-CB 3.81Å; F430-M481 HydrophobicContact CE1-CB 4.31Å; F430-M481 HydrophobicContact CE2-CB 4.09Å; F430-M481 HydrophobicContact CG-CB 3.78Å; F430-M481 HydrophobicContact CZ-CB 4.31Å; F430-L499 HydrophobicContact CD1-CD2 4.48Å; F430-L499 HydrophobicContact CE1-CD2 4.11Å; F430-L499 HydrophobicContact CE1-CG 4.38Å; F430-G501 VanDerWaalsContact CZ-CA 3.48Å
431	D	86.6	Confident	96.1	Very high	64 Å²	64	19.8 Å²	19.8	34%	0.342	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	49	42.4	-175.7	-165.6	33.7	0	0	0	113.9	S277 R433	S277-D431 PolarHBondContact OG-OD1 3.47Å; D431-R433 VanDerWaalsContact C-N 3.26Å; D431-R433 PolarHBondContact O-N 2.96Å
432	G	85.3	Confident	95.8	Very high	15 Å²	15	20.8 Å²	20.8	16%	0.155	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.4	20.6	179	0	0	0	0	0	114.4	I383 F430	I383-G432 VanDerWaalsContact CD1-C 3.45Å; I383-G432 WeakPolarHBondContact CD1-O 3.5Å; F430-G432 PolarHBondContact O-N 3.07Å
433	R	93.3	Very high	95.5	Very high	77 Å²	77	28.7 Å²	28.7	29%	0.291	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	157	-179.9	-58.5	175.7	-167.1	152.2	5.1	110.5	V429 F430 D431 F435 Y451	V429-R433 CarbonylContact C-O 3.44Å; V429-R433 VanDerWaalsContact CA-O 3.31Å; V429-R433 WeakPolarHBondContact CA-O 3.37Å; F430-R433 PolarHBondContact N-O 2.8Å; F430-R433 PolarHBondContact O-N 3.1Å; D431-R433 VanDerWaalsContact C-N 3.26Å; D431-R433 PolarHBondContact O-N 2.96Å; R433-F435 HydrophobicContact CB-CD2 4.29Å; R433-F435 HydrophobicContact CB-CE2 3.96Å; R433-Y451 HydrophobicContact CB-CD2 4.18Å; R433-Y451 VanDerWaalsContact CD-CD2 3.42Å; R433-Y451 HydrophobicContact CG-CD2 4.32Å
434	I	97.9	Very high	95.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	113.6	178.7	-58.2	178.2	0	0	0	108.2	V381 I383 Y388 V427 Y451 Y452	V381-I434 HydrophobicContact CG2-CB 4.35Å; V381-I434 HydrophobicContact CG2-CD1 3.84Å; V381-I434 HydrophobicContact CG2-CG1 3.89Å; V381-I434 HydrophobicContact CG2-CG2 3.69Å; I383-I434 HydrophobicContact CG2-CD1 3.88Å; I383-I434 HydrophobicContact CG2-CG1 4.04Å; Y388-I434 HydrophobicContact CD1-CD1 3.75Å; Y388-I434 HydrophobicContact CD2-CD1 3.68Å; Y388-I434 HydrophobicContact CE1-CD1 4.32Å; Y388-I434 HydrophobicContact CE2-CD1 4.26Å; Y388-I434 HydrophobicContact CG-CD1 3.38Å; V427-I434 HydrophobicContact CG1-CG2 3.67Å; I434-Y451 CarbonylContact O-C 3.47Å; I434-Y451 WeakPolarHBondContact O-CA 3.25Å; I434-Y452 HydrophobicContact CD1-CD1 4.05Å; I434-Y452 PolarHBondContact N-O 2.79Å; I434-Y452 VanDerWaalsContact N-O 3.15Å; I434-Y452 PolarHBondContact O-N 2.86Å
435	F	98.2	Very high	95.5	Very high	13 Å²	13	34.6 Å²	34.6	6%	0.057	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	131.5	176.6	-82.2	-109.7	0	0	0	110.3	V427 T428 F430 R433 V449 Y451 A462 M481 L499	V427-F435 VanDerWaalsContact CA-O 3.23Å; V427-F435 WeakPolarHBondContact CA-O 3.31Å; V427-F435 WeakPolarHBondContact CG1-O 3.39Å; T428-F435 PolarHBondContact N-O 2.94Å; T428-F435 VanDerWaalsContact N-O 3.08Å; T428-F435 PolarHBondContact O-N 2.66Å; F430-F435 HydrophobicContact CB-CD2 3.71Å; F430-F435 HydrophobicContact CB-CE2 4Å; F430-F435 HydrophobicContact CB-CG 4.27Å; F430-F435 HydrophobicContact CD1-CD2 4.25Å; F430-F435 HydrophobicContact CD1-CE1 4.3Å; F430-F435 AromaticContact CD1-CE2 3.85Å; F430-F435 HydrophobicContact CD1-CE2 3.85Å; F430-F435 AromaticContact CD1-CZ 3.89Å; F430-F435 HydrophobicContact CD1-CZ 3.89Å; F430-F435 HydrophobicContact CG-CD2 4.5Å; F430-F435 HydrophobicContact CG-CE2 4.41Å; F430-F435 VanDerWaalsContact O-CE2 3.27Å; F430-F435 WeakPolarHBondContact O-CE2 3.45Å; R433-F435 HydrophobicContact CB-CD2 4.29Å; R433-F435 HydrophobicContact CB-CE2 3.96Å; F435-V449 HydrophobicContact CD1-CG1 3.92Å; F435-Y451 HydrophobicContact CE1-CD1 4.21Å; F435-Y451 HydrophobicContact CE1-CG 4.38Å; F435-Y451 HydrophobicContact CE2-CG 4.25Å; F435-Y451 HydrophobicContact CZ-CD1 4.09Å; F435-Y451 HydrophobicContact CZ-CG 4.05Å; F435-A462 HydrophobicContact CD1-CB 4.32Å; F435-A462 HydrophobicContact CE1-CB 3.91Å; F435-M481 HydrophobicContact CB-CE 4.02Å; F435-M481 HydrophobicContact CB-SD 3.81Å; F435-M481 HydrophobicContact CD1-SD 4.1Å; F435-M481 HydrophobicContact CG-SD 4.08Å; F435-L499 HydrophobicContact CE1-CD2 4.39Å
436	V	98.4	Very high	95.5	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	122.1	175.2	179.4	0	0	0	0	108.4	C390 M418 T425 V427 V449 E450 W459	C390-V436 HydrophobicContact CB-CG2 4.1Å; M418-V436 HydrophobicContact SD-CB 4.26Å; M418-V436 HydrophobicContact SD-CG1 3.78Å; M418-V436 HydrophobicContact SD-CG2 3.92Å; T425-V436 HydrophobicContact CG2-CG1 4.01Å; T425-V436 WeakPolarHBondContact OG1-CG1 3.3Å; V427-V436 HydrophobicContact CG1-CG2 4.11Å; V427-V436 HydrophobicContact CG2-CB 4.33Å; V427-V436 HydrophobicContact CG2-CG1 4.18Å; V427-V436 HydrophobicContact CG2-CG2 3.89Å; V436-V449 VanDerWaalsContact O-CA 3.32Å; V436-V449 WeakPolarHBondContact O-CA 3.46Å; V436-V449 WeakPolarHBondContact O-CG1 3.33Å; V436-E450 HydrophobicContact CB-CG 4.22Å; V436-E450 PolarHBondContact N-O 2.76Å; V436-E450 PolarHBondContact O-N 2.8Å; V436-W459 HydrophobicContact CB-CH2 4.45Å; V436-W459 HydrophobicContact CB-CZ3 4.15Å; V436-W459 HydrophobicContact CG2-CH2 3.45Å; V436-W459 VanDerWaalsContact CG2-CH2 3.45Å; V436-W459 HydrophobicContact CG2-CZ3 3.58Å
437	S	98.3	Very high	95.6	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	133.9	-173.9	63.6	0	0	0	0	112	T425 G426 H472	T425-S437 PolarHBondContact OG1-N 3.09Å; T425-S437 PolarHBondContact OG1-O 3.4Å; G426-S437 PolarHBondContact N-O 3.12Å; G426-S437 PolarHBondContact O-N 2.75Å; G426-S437 PolarHBondContact O-OG 2.8Å; S437-H472 PolarHBondContact O-CE1 3.37Å; S437-H472 PolarHBondContact O-NE2 2.85Å; S437-H472 PolarHBondContact OG-NE2 2.85Å
438	G	98.3	Very high	95.6	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.218	C	C	.	.			trans	61.5	-133.3	172.4	0	0	0	0	0	114.5	R422 F446 T448 R469	R422-G438 WeakPolarHBondContact CD-O 3.37Å; R422-G438 PolarHBondContact NH1-O 2.78Å; G438-F446 VanDerWaalsContact CA-O 3.29Å; G438-F446 WeakPolarHBondContact CA-O 3.5Å; G438-T448 PolarHBondContact N-O 3Å; G438-T448 VanDerWaalsContact N-O 3.09Å; G438-R469 WeakPolarHBondContact CA-O 3.33Å
439	G	98.3	Very high	95.6	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.216	C	C	.	.			trans	84.3	-169	-174.9	0	0	0	0	0	113	S423 F446 R469	S423-G439 CarbonylContact O-C 3.47Å; S423-G439 VanDerWaalsContact O-CA 3.25Å; S423-G439 WeakPolarHBondContact O-CA 3.25Å; G439-F446 WeakPolarHBondContact O-CD2 3.44Å; G439-F446 PolarHBondContact O-N 3.11Å; G439-R469 PolarHBondContact N-O 3.31Å
440	H	97.9	Very high	95.7	Very high	42 Å²	42	37.2 Å²	37.2	19%	0.194	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-146.5	153.1	176.6	71.4	89.9	0	0	0	113.4	S398 S423 G442 Q444 I445	S398-H440 PolarHBondContact OG-O 3.01Å; S423-H440 PolarHBondContact N-O 2.85Å; S423-H440 PolarHBondContact O-N 3.41Å; S423-H440 PolarHBondContact OG-CE1 2.75Å; S423-H440 PolarHBondContact OG-O 2.88Å; H440-G442 PolarHBondContact ND1-N 2.83Å; H440-Q444 VanDerWaalsContact CA-O 3.24Å; H440-Q444 WeakPolarHBondContact CA-O 3.48Å; H440-Q444 WeakPolarHBondContact CB-O 3.28Å; H440-I445 HydrophobicContact CB-CG1 4.13Å
441	D	96.2	Very high	96	Very high	43 Å²	43	38.7 Å²	38.7	23%	0.23	21%	0.21	C	C	.	.			trans	-95.9	-7.5	175.4	61	7.4	0	0	0	113	S421 L443 Q444 F446	S421-D441 WeakPolarHBondContact O-CB 3.24Å; D441-L443 WeakPolarHBondContact OD1-CA 3.19Å; D441-L443 PolarHBondContact OD1-N 3.41Å; D441-Q444 PolarHBondContact N-O 3.27Å; D441-Q444 WeakPolarHBondContact OD1-CG 3.48Å; D441-Q444 PolarHBondContact OD1-N 3.21Å; D441-Q444 VanDerWaalsContact OD2-CG 3.26Å; D441-Q444 WeakPolarHBondContact OD2-CG 3.18Å; D441-Q444 PolarHBondContact OD2-NE2 2.83Å; D441-F446 HydrophobicContact CB-CE2 4.01Å; D441-F446 HydrophobicContact CB-CZ 4.01Å; D441-F446 WeakPolarHBondContact OD2-CZ 3.48Å
442	G	92.2	Very high	96.5	Very high	60 Å²	60	35.8 Å²	35.8	62%	0.619	20%	0.195	S	C	*	.	S	Bend	trans	108.3	-15.4	-174.7	0	0	0	0	0	113.5	H440	H440-G442 PolarHBondContact ND1-N 2.83Å
443	L	92.3	Very high	96.8	Very high	171 Å²	171	35.8 Å²	35.8	90%	0.895	19%	0.191	S	C	*	.	S	Bend	trans	-111.9	-43.8	176.2	-61	176.2	0	0	0	111.6	D441	D441-L443 WeakPolarHBondContact OD1-CA 3.19Å; D441-L443 PolarHBondContact OD1-N 3.41Å
444	Q	95.6	Very high	96.6	Very high	105 Å²	105	33.2 Å²	33.2	49%	0.491	18%	0.182	S	C	.	.			trans	-128.4	149.6	-175.1	55.6	-178.1	-19.1	0	0	111.7	H440 D441 F446	H440-Q444 VanDerWaalsContact CA-O 3.24Å; H440-Q444 WeakPolarHBondContact CA-O 3.48Å; H440-Q444 WeakPolarHBondContact CB-O 3.28Å; D441-Q444 PolarHBondContact N-O 3.27Å; D441-Q444 WeakPolarHBondContact OD1-CG 3.48Å; D441-Q444 PolarHBondContact OD1-N 3.21Å; D441-Q444 VanDerWaalsContact OD2-CG 3.26Å; D441-Q444 WeakPolarHBondContact OD2-CG 3.18Å; D441-Q444 PolarHBondContact OD2-NE2 2.83Å; Q444-F446 HydrophobicContact CG-CD1 4.26Å; Q444-F446 HydrophobicContact CG-CE1 3.52Å; Q444-F446 HydrophobicContact CG-CE2 4.38Å; Q444-F446 HydrophobicContact CG-CZ 3.57Å
445	I	98.3	Very high	95.8	Very high	35 Å²	35	34.2 Å²	34.2	18%	0.179	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-101.2	132.2	170.4	-62.4	170	0	0	0	107.7	H440 K468 C470 Y487 G489	H440-I445 HydrophobicContact CB-CG1 4.13Å; I445-K468 HydrophobicContact CB-CD 4.39Å; I445-K468 HydrophobicContact CG2-CB 4.1Å; I445-K468 HydrophobicContact CG2-CG 4.35Å; I445-C470 HydrophobicContact CG2-CB 4.27Å; I445-Y487 HydrophobicContact CD1-CD1 4Å; I445-Y487 HydrophobicContact CD1-CE1 4.15Å; I445-G489 VanDerWaalsContact CD1-CA 3.47Å; I445-G489 VanDerWaalsContact CD1-N 3.29Å
446	F	98.3	Very high	95.3	Very high	15 Å²	15	35.9 Å²	35.9	7%	0.066	20%	0.198	C	C	.	.			trans	-97.5	151	-173	-57.2	-71.6	0	0	0	112.9	V420 R422 G438 G439 D441 Q444 K468 R469	V420-F446 HydrophobicContact CG1-CE1 4.07Å; V420-F446 HydrophobicContact CG1-CE2 3.92Å; V420-F446 HydrophobicContact CG1-CZ 3.47Å; V420-F446 VanDerWaalsContact CG1-CZ 3.47Å; R422-F446 HydrophobicContact CG-CD2 4.1Å; R422-F446 HydrophobicContact CG-CE2 4.07Å; R422-F446 VanDerWaalsContact NH1-CD2 3.29Å; G438-F446 VanDerWaalsContact CA-O 3.29Å; G438-F446 WeakPolarHBondContact CA-O 3.5Å; G439-F446 WeakPolarHBondContact O-CD2 3.44Å; G439-F446 PolarHBondContact O-N 3.11Å; D441-F446 HydrophobicContact CB-CE2 4.01Å; D441-F446 HydrophobicContact CB-CZ 4.01Å; D441-F446 WeakPolarHBondContact OD2-CZ 3.48Å; Q444-F446 HydrophobicContact CG-CD1 4.26Å; Q444-F446 HydrophobicContact CG-CE1 3.52Å; Q444-F446 HydrophobicContact CG-CE2 4.38Å; Q444-F446 HydrophobicContact CG-CZ 3.57Å; F446-K468 WeakPolarHBondContact O-CA 3.42Å; F446-R469 PolarHBondContact O-N 3.26Å
447	N	98.2	Very high	95	Very high	61 Å²	61	39.2 Å²	39.2	33%	0.326	22%	0.216	S	C	.	.			trans	-108.5	-7.8	158.7	70.6	-29.6	0	0	0	112.7	M465 K468	N447-M465 HydrophobicContact CB-CB 4.25Å; N447-M465 PolarHBondContact ND2-O 2.87Å; N447-M465 PolarHBondContact O-N 2.91Å; N447-K468 HydrophobicContact CB-CB 4.03Å
448	T	98.4	Very high	94.8	Very high	54 Å²	54	47.2 Å²	47.2	33%	0.331	25%	0.246	S	C	.	.			trans	-62.5	148.6	-179.5	56.9	0	0	0	0	111.3	R422 G438	R422-T448 PolarHBondContact NH1-OG1 3Å; R422-T448 PolarHBondContact NH2-OG1 2.84Å; G438-T448 PolarHBondContact N-O 3Å; G438-T448 VanDerWaalsContact N-O 3.09Å
449	V	98.4	Very high	94.8	Very high	6 Å²	6	49 Å²	49	4%	0.036	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	139.3	177	-172.7	0	0	0	0	108	F435 V436 A462 P463 M465 W506	F435-V449 HydrophobicContact CD1-CG1 3.92Å; V436-V449 VanDerWaalsContact O-CA 3.32Å; V436-V449 WeakPolarHBondContact O-CA 3.46Å; V436-V449 WeakPolarHBondContact O-CG1 3.33Å; V449-A462 HydrophobicContact CB-CB 3.88Å; V449-A462 HydrophobicContact CG1-CB 3.74Å; V449-A462 PolarHBondContact O-N 2.96Å; V449-P463 WeakPolarHBondContact CG2-O 3.2Å; V449-M465 HydrophobicContact CG2-CG 3.85Å; V449-W506 HydrophobicContact CG2-CZ2 4.1Å
450	E	98.1	Very high	94.7	Very high	5 Å²	5	52 Å²	52	2%	0.023	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	149.2	171.7	58.6	-167.7	133.9	0	0	109	S419 R422 V436 W459 H460	S419-E450 WeakPolarHBondContact CB-OE2 3.24Å; S419-E450 PolarHBondContact N-OE2 2.78Å; S419-E450 VanDerWaalsContact OG-CD 3.31Å; S419-E450 PolarHBondContact OG-OE1 3.06Å; S419-E450 PolarHBondContact OG-OE2 2.82Å; R422-E450 IonicContact CZ-OE1 2.74Å; R422-E450 IonicContact NE-OE1 3.58Å; R422-E450 PolarHBondContact NE-OE1 2.82Å; R422-E450 IonicContact NH2-OE1 3.53Å; V436-E450 HydrophobicContact CB-CG 4.22Å; V436-E450 PolarHBondContact N-O 2.76Å; V436-E450 PolarHBondContact O-N 2.8Å; E450-W459 HydrophobicContact CB-CE3 4.04Å; E450-W459 HydrophobicContact CG-CE3 3.62Å; E450-W459 HydrophobicContact CG-CZ3 3.82Å; E450-H460 CarbonylContact C-O 3.51Å; E450-H460 VanDerWaalsContact CA-O 3.27Å; E450-H460 WeakPolarHBondContact CA-O 3.39Å
451	Y	97.6	Very high	94.7	Very high	46 Å²	46	55.5 Å²	55.5	18%	0.18	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	143.7	174.5	72.5	-94.9	0	0	0	111.4	R433 I434 F435 W459 H460 A462	R433-Y451 HydrophobicContact CB-CD2 4.18Å; R433-Y451 VanDerWaalsContact CD-CD2 3.42Å; R433-Y451 HydrophobicContact CG-CD2 4.32Å; I434-Y451 CarbonylContact O-C 3.47Å; I434-Y451 WeakPolarHBondContact O-CA 3.25Å; F435-Y451 HydrophobicContact CE1-CD1 4.21Å; F435-Y451 HydrophobicContact CE1-CG 4.38Å; F435-Y451 HydrophobicContact CE2-CG 4.25Å; F435-Y451 HydrophobicContact CZ-CD1 4.09Å; F435-Y451 HydrophobicContact CZ-CG 4.05Å; Y451-W459 CarbonylContact O-C 3.58Å; Y451-W459 WeakPolarHBondContact O-CA 3.37Å; Y451-H460 HydrophobicContact CD1-CB 4.06Å; Y451-H460 HydrophobicContact CD2-CB 4.23Å; Y451-H460 HydrophobicContact CE1-CB 3.53Å; Y451-H460 HydrophobicContact CE2-CB 3.71Å; Y451-H460 AromaticContact CE2-CG 3.83Å; Y451-H460 AromaticContact CE2-ND1 3.64Å; Y451-H460 HydrophobicContact CG-CB 4.41Å; Y451-H460 AromaticContact CZ-CG 3.75Å; Y451-H460 PolarHBondContact N-O 2.78Å; Y451-H460 PolarHBondContact O-N 3.46Å; Y451-A462 HydrophobicContact CD1-CB 4.11Å
452	Y	97.8	Very high	94.7	Very high	4 Å²	4	54.3 Å²	54.3	2%	0.016	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	122.9	175.4	178	-111.6	0	0	0	110.1	Y388 I434 H454 D457 W459	Y388-Y452 HydrophobicContact CD1-CE1 4.32Å; Y388-Y452 AromaticContact CE1-CE1 3.82Å; Y388-Y452 HydrophobicContact CE1-CE1 3.82Å; I434-Y452 HydrophobicContact CD1-CD1 4.05Å; I434-Y452 PolarHBondContact N-O 2.79Å; I434-Y452 VanDerWaalsContact N-O 3.15Å; I434-Y452 PolarHBondContact O-N 2.86Å; Y452-H454 HydrophobicContact CD1-CB 3.85Å; Y452-H454 HydrophobicContact CE1-CB 3.42Å; Y452-H454 VanDerWaalsContact CE1-CB 3.42Å; Y452-D457 WeakPolarHBondContact CE2-OD1 3.39Å; Y452-D457 PolarHBondContact OH-OD1 3.28Å; Y452-W459 AromaticContact CD2-CD1 3.78Å; Y452-W459 HydrophobicContact CD2-CD2 4.05Å; Y452-W459 AromaticContact CD2-CE2 3.65Å; Y452-W459 HydrophobicContact CD2-CG 4.12Å; Y452-W459 HydrophobicContact CD2-CZ2 4.12Å; Y452-W459 AromaticContact CD2-NE1 3.48Å; Y452-W459 HydrophobicContact CG-CD2 4.32Å; Y452-W459 AromaticContact CG-CE2 3.89Å; Y452-W459 HydrophobicContact CG-CH2 4.38Å; Y452-W459 AromaticContact CG-CZ2 3.92Å; Y452-W459 HydrophobicContact CG-CZ2 3.92Å
453	N	90.3	Very high	94.9	Very high	14 Å²	14	54.5 Å²	54.5	8%	0.075	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	99.3	167.8	-177.7	-7	0	0	0	108	H455 T456 D457 R458	N453-H455 PolarHBondContact O-N 3.12Å; N453-H455 VanDerWaalsContact O-N 3.16Å; N453-H455 VanDerWaalsContact OD1-CB 3.31Å; N453-H455 WeakPolarHBondContact OD1-CB 3.17Å; N453-H455 PolarHBondContact OD1-N 2.74Å; N453-H455 VanDerWaalsContact OD1-N 3.14Å; N453-T456 WeakPolarHBondContact CB-OG1 3.45Å; N453-T456 PolarHBondContact O-N 3.13Å; N453-T456 VanDerWaalsContact O-N 3.12Å; N453-T456 PolarHBondContact O-OG1 2.96Å; N453-T456 VanDerWaalsContact O-OG1 3.13Å; N453-D457 PolarHBondContact O-N 2.81Å; N453-R458 PolarHBondContact N-O 3.01Å; N453-R458 PolarHBondContact O-N 3.17Å
454	H	88.9	Confident	95.2	Very high	23 Å²	23	48.6 Å²	48.6	11%	0.106	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-16.4	-176.6	74	-85.1	0	0	0	113.8	I383 D384 Y452	I383-H454 VanDerWaalsContact CD1-CE1 3.5Å; I383-H454 WeakPolarHBondContact CD1-CE1 3.49Å; D384-H454 IonicContact OD2-CE1 2.66Å; D384-H454 IonicContact OD2-NE2 3.74Å; D384-H454 PolarHBondContact OD2-NE2 2.61Å; Y452-H454 HydrophobicContact CD1-CB 3.85Å; Y452-H454 HydrophobicContact CE1-CB 3.42Å; Y452-H454 VanDerWaalsContact CE1-CB 3.42Å
455	H	83.1	Confident	95.3	Very high	22 Å²	22	43.7 Å²	43.7	10%	0.102	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-36.4	173.7	-61.2	130.1	0	0	0	113.3	F265 R272 P273 D384 N453	F265-H455 AromaticContact CE2-NE2 3.83Å; F265-H455 AromaticContact CZ-NE2 3.88Å; R272-H455 HydrophobicContact CB-CB 3.81Å; R272-H455 WeakPolarHBondContact CD-CD2 3.3Å; R272-H455 WeakPolarHBondContact CD-NE2 3.45Å; R272-H455 PolarHBondContact NH1-CD2 3.16Å; R272-H455 VanDerWaalsContact NH1-CD2 3.32Å; R272-H455 PolarHBondContact NH1-NE2 3.05Å; P273-H455 HydrophobicContact CG-CB 4.21Å; D384-H455 IonicContact OD2-NE2 3.58Å; N453-H455 PolarHBondContact O-N 3.12Å; N453-H455 VanDerWaalsContact O-N 3.16Å; N453-H455 VanDerWaalsContact OD1-CB 3.31Å; N453-H455 WeakPolarHBondContact OD1-CB 3.17Å; N453-H455 PolarHBondContact OD1-N 2.74Å; N453-H455 VanDerWaalsContact OD1-N 3.14Å
456	T	87.3	Confident	95.3	Very high	48 Å²	48	46.2 Å²	46.2	29%	0.294	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-7.1	177.7	55.6	0	0	0	0	113.2	P273 N453 R458	P273-T456 HydrophobicContact CB-CG2 4.26Å; P273-T456 HydrophobicContact CG-CG2 3.31Å; N453-T456 WeakPolarHBondContact CB-OG1 3.45Å; N453-T456 PolarHBondContact O-N 3.13Å; N453-T456 VanDerWaalsContact O-N 3.12Å; N453-T456 PolarHBondContact O-OG1 2.96Å; N453-T456 VanDerWaalsContact O-OG1 3.13Å; T456-R458 VanDerWaalsContact C-N 3.31Å; T456-R458 WeakPolarHBondContact O-CG 3.35Å; T456-R458 PolarHBondContact O-N 2.9Å
457	D	90.7	Very high	95.2	Very high	70 Å²	70	49.1 Å²	49.1	37%	0.374	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.5	49.2	-171	-168.8	13.3	0	0	0	111.7	T416 Y452 N453	T416-D457 WeakPolarHBondContact CB-OD1 3.26Å; T416-D457 PolarHBondContact N-OD1 2.84Å; T416-D457 VanDerWaalsContact N-OD1 3.08Å; T416-D457 PolarHBondContact OG1-O 2.8Å; T416-D457 PolarHBondContact OG1-OD1 2.87Å; T416-D457 PolarHBondContact OG1-OD2 2.76Å; Y452-D457 WeakPolarHBondContact CE2-OD1 3.39Å; Y452-D457 PolarHBondContact OH-OD1 3.28Å; N453-D457 PolarHBondContact O-N 2.81Å
458	R	94.6	Very high	95.1	Very high	168 Å²	168	51.1 Å²	51.1	63%	0.634	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141	140.2	-176.4	-73.4	-179.7	-174.4	-122.5	0.8	113.3	N453 T456 H460	N453-R458 PolarHBondContact N-O 3.01Å; N453-R458 PolarHBondContact O-N 3.17Å; T456-R458 VanDerWaalsContact C-N 3.31Å; T456-R458 WeakPolarHBondContact O-CG 3.35Å; T456-R458 PolarHBondContact O-N 2.9Å; R458-H460 PolarHBondContact O-ND1 3.38Å
459	W	97.7	Very high	95.1	Very high	36 Å²	36	48.8 Å²	48.8	14%	0.136	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	143.5	170.5	-70.2	91.4	0	0	0	111.7	V402 T416 E417 M418 V436 E450 Y451 Y452	V402-W459 HydrophobicContact CG2-CZ2 3.69Å; T416-W459 PolarHBondContact O-NE1 2.65Å; E417-W459 PolarHBondContact O-NE1 2.88Å; M418-W459 HydrophobicContact CG-CD2 4.14Å; M418-W459 HydrophobicContact CG-CE3 4.34Å; M418-W459 HydrophobicContact CG-CH2 3.7Å; M418-W459 HydrophobicContact CG-CZ2 3.45Å; M418-W459 VanDerWaalsContact CG-CZ2 3.45Å; M418-W459 HydrophobicContact CG-CZ3 4.14Å; M418-W459 HydrophobicContact SD-CH2 4.13Å; M418-W459 HydrophobicContact SD-CZ2 4.37Å; V436-W459 HydrophobicContact CB-CH2 4.45Å; V436-W459 HydrophobicContact CB-CZ3 4.15Å; V436-W459 HydrophobicContact CG2-CH2 3.45Å; V436-W459 VanDerWaalsContact CG2-CH2 3.45Å; V436-W459 HydrophobicContact CG2-CZ3 3.58Å; E450-W459 HydrophobicContact CB-CE3 4.04Å; E450-W459 HydrophobicContact CG-CE3 3.62Å; E450-W459 HydrophobicContact CG-CZ3 3.82Å; Y451-W459 CarbonylContact O-C 3.58Å; Y451-W459 WeakPolarHBondContact O-CA 3.37Å; Y452-W459 AromaticContact CD2-CD1 3.78Å; Y452-W459 HydrophobicContact CD2-CD2 4.05Å; Y452-W459 AromaticContact CD2-CE2 3.65Å; Y452-W459 HydrophobicContact CD2-CG 4.12Å; Y452-W459 HydrophobicContact CD2-CZ2 4.12Å; Y452-W459 AromaticContact CD2-NE1 3.48Å; Y452-W459 HydrophobicContact CG-CD2 4.32Å; Y452-W459 AromaticContact CG-CE2 3.89Å; Y452-W459 HydrophobicContact CG-CH2 4.38Å; Y452-W459 AromaticContact CG-CZ2 3.92Å; Y452-W459 HydrophobicContact CG-CZ2 3.92Å
460	H	97.1	Very high	95.1	Very high	63 Å²	63	48.6 Å²	48.6	29%	0.292	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	145.4	178.9	-59.6	84.1	0	0	0	109.9	E450 Y451 R458	E450-H460 CarbonylContact C-O 3.51Å; E450-H460 VanDerWaalsContact CA-O 3.27Å; E450-H460 WeakPolarHBondContact CA-O 3.39Å; Y451-H460 HydrophobicContact CD1-CB 4.06Å; Y451-H460 HydrophobicContact CD2-CB 4.23Å; Y451-H460 HydrophobicContact CE1-CB 3.53Å; Y451-H460 HydrophobicContact CE2-CB 3.71Å; Y451-H460 AromaticContact CE2-CG 3.83Å; Y451-H460 AromaticContact CE2-ND1 3.64Å; Y451-H460 HydrophobicContact CG-CB 4.41Å; Y451-H460 AromaticContact CZ-CG 3.75Å; Y451-H460 PolarHBondContact N-O 2.78Å; Y451-H460 PolarHBondContact O-N 3.46Å; R458-H460 PolarHBondContact O-ND1 3.38Å
461	P	97.1	Very high	95.1	Very high	116 Å²	116	52.4 Å²	52.4	75%	0.753	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.4	144.4	172.8	28.5	-33.9	0	0	0	111
462	A	96.3	Very high	95.1	Very high	18 Å²	18	50.6 Å²	50.6	15%	0.149	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	163.6	170.6	0	0	0	0	0	110.5	F435 V449 Y451 A464	F435-A462 HydrophobicContact CD1-CB 4.32Å; F435-A462 HydrophobicContact CE1-CB 3.91Å; V449-A462 HydrophobicContact CB-CB 3.88Å; V449-A462 HydrophobicContact CG1-CB 3.74Å; V449-A462 PolarHBondContact O-N 2.96Å; Y451-A462 HydrophobicContact CD1-CB 4.11Å; A462-A464 PolarHBondContact O-N 2.79Å
463	P	97	Very high	95.1	Very high	65 Å²	65	50.7 Å²	50.7	42%	0.422	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-50.2	126.6	170	-27.7	36.2	0	0	0	111.4	V449 G504 W506	V449-P463 WeakPolarHBondContact CG2-O 3.2Å; P463-G504 VanDerWaalsContact CG-O 3.27Å; P463-G504 WeakPolarHBondContact CG-O 3.24Å; P463-W506 PolarHBondContact O-NE1 3.33Å
464	A	97.9	Very high	95.5	Very high	46 Å²	46	50.7 Å²	50.7	38%	0.38	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-70.2	147.4	-179.6	0	0	0	0	0	111.3	A462 W506	A462-A464 PolarHBondContact O-N 2.79Å; A464-W506 PolarHBondContact O-NE1 2.85Å
465	M	98.3	Very high	95.9	Very high	3 Å²	3	49.8 Å²	49.8	2%	0.015	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-59.4	153.9	171.2	-63.2	-179.1	-60.4	0	0	110.6	N447 V449 N467 R469 V483 E497 W506	N447-M465 HydrophobicContact CB-CB 4.25Å; N447-M465 PolarHBondContact ND2-O 2.87Å; N447-M465 PolarHBondContact O-N 2.91Å; V449-M465 HydrophobicContact CG2-CG 3.85Å; M465-N467 VanDerWaalsContact C-N 3.29Å; M465-N467 PolarHBondContact O-N 3.4Å; M465-R469 HydrophobicContact CE-CG 3.6Å; M465-R469 HydrophobicContact SD-CG 4Å; M465-V483 HydrophobicContact CG-CG2 4.49Å; M465-V483 HydrophobicContact SD-CB 4.31Å; M465-V483 HydrophobicContact SD-CG1 4.16Å; M465-V483 HydrophobicContact SD-CG2 3.82Å; M465-E497 WeakPolarHBondContact CB-OE2 3.43Å; M465-W506 HydrophobicContact CG-CD2 4.5Å; M465-W506 HydrophobicContact CG-CH2 3.98Å; M465-W506 HydrophobicContact CG-CZ2 3.74Å; M465-W506 HydrophobicContact CG-CZ3 4.46Å
466	L	97.9	Very high	96.4	Very high	88 Å²	88	49.9 Å²	49.9	46%	0.461	26%	0.264	S	S	.	.	S	Bend	trans	-63.8	-38.3	176.6	-55.7	175.3	0	0	0	110.8	E497 W506 L508	L466-E497 WeakPolarHBondContact CB-OE2 3.27Å; L466-E497 HydrophobicContact CD1-CG 4.41Å; L466-E497 PolarHBondContact N-OE2 2.81Å; L466-W506 HydrophobicContact CD1-CB 4.38Å; L466-W506 HydrophobicContact CD2-CB 4.02Å; L466-W506 HydrophobicContact CG-CB 3.87Å; L466-L508 HydrophobicContact CD1-CD2 4.12Å; L466-L508 HydrophobicContact CD1-CG 3.89Å
467	N	96	Very high	96.4	Very high	75 Å²	75	49.1 Å²	49.1	40%	0.401	26%	0.258	S	S	.	.	S	Bend	trans	-122.6	144	179.1	-56.3	-83.7	0	0	0	112	M465 E497	M465-N467 VanDerWaalsContact C-N 3.29Å; M465-N467 PolarHBondContact O-N 3.4Å; N467-E497 WeakPolarHBondContact CB-OE1 3.4Å; N467-E497 PolarHBondContact N-OE1 3.31Å; N467-E497 PolarHBondContact ND2-OE1 2.88Å
468	K	97.8	Very high	96.1	Very high	104 Å²	104	48.7 Å²	48.7	45%	0.452	27%	0.271	S	S	.	.			trans	-69.4	136.7	170.5	64.2	178.6	173.3	169.1	0	109.9	I445 F446 N447 D488	I445-K468 HydrophobicContact CB-CD 4.39Å; I445-K468 HydrophobicContact CG2-CB 4.1Å; I445-K468 HydrophobicContact CG2-CG 4.35Å; F446-K468 WeakPolarHBondContact O-CA 3.42Å; N447-K468 HydrophobicContact CB-CB 4.03Å; K468-D488 WeakPolarHBondContact CE-O 3.46Å; K468-D488 HydrophobicContact CG-CB 4.36Å; K468-D488 WeakPolarHBondContact O-CA 3.32Å; K468-D488 WeakPolarHBondContact O-CB 3.15Å
469	R	98.1	Very high	95.7	Very high	4 Å²	4	43.7 Å²	43.7	2%	0.015	26%	0.261	C	S	.	.			trans	-157.4	146.6	179.4	55.9	-179.4	77.2	-150.7	8.9	111.9	G438 G439 F446 M465 H472 G485 Y487 L493 G495 E497	G438-R469 WeakPolarHBondContact CA-O 3.33Å; G439-R469 PolarHBondContact N-O 3.31Å; F446-R469 PolarHBondContact O-N 3.26Å; M465-R469 HydrophobicContact CE-CG 3.6Å; M465-R469 HydrophobicContact SD-CG 4Å; R469-H472 HydrophobicContact CG-CB 4.31Å; R469-G485 PolarHBondContact NH1-O 2.82Å; R469-Y487 WeakPolarHBondContact CA-O 3.46Å; R469-L493 HydrophobicContact CB-CD1 4.07Å; R469-G495 PolarHBondContact NH1-O 3.23Å; R469-E497 IonicContact CZ-OE1 3.73Å; R469-E497 IonicContact NE-OE1 3.36Å; R469-E497 IonicContact NH2-OE1 2.84Å; R469-E497 PolarHBondContact NH2-OE1 2.84Å
470	C	98.1	Very high	95.4	Very high	2 Å²	2	45 Å²	45	1%	0.014	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-128.3	165.8	164.2	70.1	0	0	0	0	110.2	A424 I445 H472 G486 Y487	A424-C470 HydrophobicContact CB-CB 4.42Å; A424-C470 CarbonylContact O-C 3.55Å; A424-C470 WeakPolarHBondContact O-CA 3.5Å; I445-C470 HydrophobicContact CG2-CB 4.27Å; C470-H472 PolarHBondContact O-N 3.19Å; C470-G486 CarbonylContact O-C 3.53Å; C470-G486 WeakPolarHBondContact O-CA 3.28Å; C470-Y487 PolarHBondContact N-O 2.73Å; C470-Y487 PolarHBondContact O-N 3.28Å
471	R	97.6	Very high	95.3	Very high	85 Å²	85	42 Å²	42	32%	0.321	26%	0.255	S	S	.	.	S	Bend	trans	57.8	26.4	-178	-50.4	169.1	-176.4	-177	1.4	112.4	A424 S517 R518	A424-R471 HydrophobicContact CB-CB 4.42Å; A424-R471 HydrophobicContact CB-CG 3.58Å; A424-R471 PolarHBondContact O-N 2.93Å; R471-S517 CarbonylContact O-C 3.53Å; R471-R518 HydrophobicContact CB-CG 4.14Å; R471-R518 HydrophobicContact CG-CG 4.39Å; R471-R518 WeakPolarHBondContact O-CA 3.37Å; R471-R518 PolarHBondContact O-N 3.33Å
472	H	98.3	Very high	95.3	Very high	9 Å²	9	37.8 Å²	37.8	4%	0.042	23%	0.225	C	C	.	.			trans	-89.1	158.6	171.9	60.9	-76	0	0	0	110.1	G426 S437 R469 C470 A484 G485	G426-H472 PolarHBondContact N-CE1 3.07Å; G426-H472 PolarHBondContact N-NE2 2.97Å; S437-H472 PolarHBondContact O-CE1 3.37Å; S437-H472 PolarHBondContact O-NE2 2.85Å; S437-H472 PolarHBondContact OG-NE2 2.85Å; R469-H472 HydrophobicContact CG-CB 4.31Å; C470-H472 PolarHBondContact O-N 3.19Å; H472-A484 WeakPolarHBondContact CA-O 3.48Å; H472-A484 WeakPolarHBondContact CB-O 3.43Å; H472-G485 WeakPolarHBondContact CB-O 3.39Å
473	G	97.8	Very high	95.4	Very high	5 Å²	5	37 Å²	37	5%	0.052	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	150.1	170.1	0	0	0	0	0	110.6	V483 A484 V519	G473-V483 WeakPolarHBondContact O-CA 3.04Å; G473-A484 PolarHBondContact N-O 2.8Å; G473-A484 VanDerWaalsContact N-O 3.07Å; G473-A484 PolarHBondContact O-N 2.85Å; G473-V519 WeakPolarHBondContact CA-O 3.13Å; G473-V519 PolarHBondContact N-O 2.75Å
474	A	97.8	Very high	95.5	Very high	14 Å²	14	33.9 Å²	33.9	12%	0.116	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	136.6	174.3	0	0	0	0	0	110.5	M481 Y482 V483	A474-M481 HydrophobicContact CB-CE 4.43Å; A474-Y482 VanDerWaalsContact CA-O 3.28Å; A474-Y482 WeakPolarHBondContact CA-O 3.36Å; A474-V483 HydrophobicContact CB-CG1 4.16Å
475	A	96.8	Very high	95.5	Very high	5 Å²	5	31.7 Å²	31.7	4%	0.041	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	152.9	177.6	0	0	0	0	0	110.1	T428 Y482 L521 L528	T428-A475 WeakPolarHBondContact OG1-CA 3.28Å; A475-Y482 PolarHBondContact N-O 2.85Å; A475-Y482 VanDerWaalsContact N-O 3.07Å; A475-Y482 PolarHBondContact O-N 3.04Å; A475-L521 HydrophobicContact CB-CB 4.28Å; A475-L521 HydrophobicContact CB-CD2 3.98Å; A475-L521 HydrophobicContact CB-CG 3.88Å; A475-L528 HydrophobicContact CB-CD1 3.78Å
476	A	93.6	Very high	95.5	Very high	23 Å²	23	31.5 Å²	31.5	19%	0.19	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	138.5	172.6	0	0	0	0	0	110.1	T428 V429 F430 H480 S523	T428-A476 PolarHBondContact OG1-N 2.79Å; V429-A476 WeakPolarHBondContact O-CB 3.42Å; F430-A476 HydrophobicContact CD2-CB 4.2Å; A476-H480 WeakPolarHBondContact CA-O 3.46Å; A476-S523 WeakPolarHBondContact O-CB 3.25Å; A476-S523 PolarHBondContact O-OG 3.22Å
477	L	88.8	Confident	95.5	Very high	32 Å²	32	30.5 Å²	30.5	17%	0.168	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	119.6	175.1	172.7	66.2	0	0	0	108.8	S479 H480 Y482 L528	L477-S479 PolarHBondContact O-N 3.4Å; L477-H480 PolarHBondContact N-O 2.81Å; L477-H480 PolarHBondContact O-N 2.91Å; L477-H480 VanDerWaalsContact O-N 3.17Å; L477-Y482 HydrophobicContact CB-CD2 4.21Å; L477-Y482 HydrophobicContact CB-CE2 3.72Å; L477-L528 HydrophobicContact CD2-CB 4.42Å
478	G	83.4	Confident	95.5	Very high	62 Å²	62	28.5 Å²	28.5	64%	0.639	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.7	-128.5	-173.1	0	0	0	0	0	111.9	H480	G478-H480 VanDerWaalsContact C-N 3.3Å; G478-H480 PolarHBondContact O-N 2.97Å
479	S	85.5	Confident	95.4	Very high	62 Å²	62	25.4 Å²	25.4	43%	0.434	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	18.1	178.2	64.5	0	0	0	0	114.2	L477 G501	L477-S479 PolarHBondContact O-N 3.4Å; S479-G501 PolarHBondContact O-N 2.84Å
480	H	91.6	Very high	95.2	Very high	63 Å²	63	30.1 Å²	30.1	29%	0.292	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	143.1	-173	-61.7	92.1	0	0	0	112.2	F430 A476 L477 G478 Y482 V498 L499	F430-H480 VanDerWaalsContact CE2-C 3.44Å; A476-H480 WeakPolarHBondContact CA-O 3.46Å; L477-H480 PolarHBondContact N-O 2.81Å; L477-H480 PolarHBondContact O-N 2.91Å; L477-H480 VanDerWaalsContact O-N 3.17Å; G478-H480 VanDerWaalsContact C-N 3.3Å; G478-H480 PolarHBondContact O-N 2.97Å; H480-Y482 HydrophobicContact CB-CD2 4.3Å; H480-Y482 HydrophobicContact CB-CE2 3.45Å; H480-Y482 VanDerWaalsContact CB-CE2 3.45Å; H480-V498 HydrophobicContact CB-CG1 3.71Å; H480-L499 WeakPolarHBondContact CA-O 3.1Å
481	M	95.7	Very high	95.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	132.1	167.8	165.5	177.4	-178.8	0	0	109	T428 F430 F435 A474 V483 V498 L499 W506	T428-M481 HydrophobicContact CG2-CE 3.77Å; T428-M481 HydrophobicContact CG2-CG 3.84Å; T428-M481 HydrophobicContact CG2-SD 3.79Å; F430-M481 HydrophobicContact CB-CB 4.27Å; F430-M481 HydrophobicContact CB-SD 4.44Å; F430-M481 HydrophobicContact CD1-CB 4.06Å; F430-M481 HydrophobicContact CD2-CB 3.81Å; F430-M481 HydrophobicContact CE1-CB 4.31Å; F430-M481 HydrophobicContact CE2-CB 4.09Å; F430-M481 HydrophobicContact CG-CB 3.78Å; F430-M481 HydrophobicContact CZ-CB 4.31Å; F435-M481 HydrophobicContact CB-CE 4.02Å; F435-M481 HydrophobicContact CB-SD 3.81Å; F435-M481 HydrophobicContact CD1-SD 4.1Å; F435-M481 HydrophobicContact CG-SD 4.08Å; A474-M481 HydrophobicContact CB-CE 4.43Å; M481-V483 HydrophobicContact CE-CG1 4.02Å; M481-V498 CarbonylContact O-C 3.37Å; M481-V498 VanDerWaalsContact O-CA 3.3Å; M481-V498 WeakPolarHBondContact O-CA 3.2Å; M481-L499 HydrophobicContact CB-CB 4.24Å; M481-L499 PolarHBondContact N-O 2.82Å; M481-L499 PolarHBondContact O-N 3.18Å; M481-W506 HydrophobicContact CE-CH2 4.43Å; M481-W506 HydrophobicContact CG-CH2 4.47Å; M481-W506 HydrophobicContact SD-CH2 4.48Å
482	Y	97.5	Very high	95.1	Very high	29 Å²	29	29.9 Å²	29.9	11%	0.114	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	138.4	-177.4	-61.5	-102.1	0	0	0	109.7	A474 A475 L477 H480 V496 E497 V498 L509 L528	A474-Y482 VanDerWaalsContact CA-O 3.28Å; A474-Y482 WeakPolarHBondContact CA-O 3.36Å; A475-Y482 PolarHBondContact N-O 2.85Å; A475-Y482 VanDerWaalsContact N-O 3.07Å; A475-Y482 PolarHBondContact O-N 3.04Å; L477-Y482 HydrophobicContact CB-CD2 4.21Å; L477-Y482 HydrophobicContact CB-CE2 3.72Å; H480-Y482 HydrophobicContact CB-CD2 4.3Å; H480-Y482 HydrophobicContact CB-CE2 3.45Å; H480-Y482 VanDerWaalsContact CB-CE2 3.45Å; Y482-V496 HydrophobicContact CD1-CG1 4.47Å; Y482-E497 WeakPolarHBondContact CA-O 3.44Å; Y482-V498 HydrophobicContact CD1-CB 4.39Å; Y482-V498 HydrophobicContact CD1-CG1 4.16Å; Y482-V498 HydrophobicContact CD1-CG2 3.43Å; Y482-V498 VanDerWaalsContact CD1-CG2 3.43Å; Y482-V498 HydrophobicContact CE1-CB 4.39Å; Y482-V498 HydrophobicContact CE1-CG1 3.89Å; Y482-V498 HydrophobicContact CE1-CG2 3.53Å; Y482-V498 HydrophobicContact CE2-CG1 4.48Å; Y482-V498 HydrophobicContact CG-CG2 4.33Å; Y482-L509 HydrophobicContact CD1-CD2 4.1Å; Y482-L509 HydrophobicContact CE1-CD2 3.87Å; Y482-L528 HydrophobicContact CD1-CD2 3.75Å; Y482-L528 HydrophobicContact CD2-CD2 4.5Å; Y482-L528 HydrophobicContact CE1-CD2 4.47Å; Y482-L528 HydrophobicContact CG-CD2 3.79Å
483	V	98.3	Very high	95.1	Very high	0 Å²	0	31 Å²	31	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	128.6	167.3	-62.3	0	0	0	0	109.4	M465 G473 A474 M481 V496 E497 W506	M465-V483 HydrophobicContact CG-CG2 4.49Å; M465-V483 HydrophobicContact SD-CB 4.31Å; M465-V483 HydrophobicContact SD-CG1 4.16Å; M465-V483 HydrophobicContact SD-CG2 3.82Å; G473-V483 WeakPolarHBondContact O-CA 3.04Å; A474-V483 HydrophobicContact CB-CG1 4.16Å; M481-V483 HydrophobicContact CE-CG1 4.02Å; V483-V496 WeakPolarHBondContact O-CA 3.16Å; V483-E497 HydrophobicContact CG2-CB 3.65Å; V483-E497 PolarHBondContact N-O 2.72Å; V483-E497 PolarHBondContact O-N 2.77Å; V483-W506 HydrophobicContact CG1-CH2 3.96Å; V483-W506 HydrophobicContact CG1-CZ3 4.31Å; V483-W506 HydrophobicContact CG2-CH2 4.06Å; V483-W506 HydrophobicContact CG2-CZ3 3.69Å
484	A	98	Very high	95.1	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	134.5	-170.6	0	0	0	0	0	112.1	H472 G473 V496 M512 V519 L521	H472-A484 WeakPolarHBondContact CA-O 3.48Å; H472-A484 WeakPolarHBondContact CB-O 3.43Å; G473-A484 PolarHBondContact N-O 2.8Å; G473-A484 VanDerWaalsContact N-O 3.07Å; G473-A484 PolarHBondContact O-N 2.85Å; A484-V496 HydrophobicContact CB-CG1 4.38Å; A484-V496 HydrophobicContact CB-CG2 4Å; A484-M512 HydrophobicContact CB-CE 4.15Å; A484-M512 HydrophobicContact CB-SD 4.13Å; A484-V519 VanDerWaalsContact O-CG1 3.23Å; A484-V519 WeakPolarHBondContact O-CG1 3.24Å; A484-L521 HydrophobicContact CB-CD1 3.95Å; A484-L521 HydrophobicContact CB-CD2 3.93Å
485	G	98.1	Very high	95.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	22%	0.219	C	C	.	.			trans	66.4	-145.8	175.4	0	0	0	0	0	113.8	R469 H472 L493 G495 R516	R469-G485 PolarHBondContact NH1-O 2.82Å; H472-G485 WeakPolarHBondContact CB-O 3.39Å; G485-L493 VanDerWaalsContact CA-O 3.28Å; G485-L493 WeakPolarHBondContact CA-O 3.32Å; G485-G495 PolarHBondContact N-O 2.82Å; G485-G495 VanDerWaalsContact N-O 3.1Å; G485-R516 CarbonylContact C-O 3.59Å; G485-R516 WeakPolarHBondContact CA-O 3.39Å
486	G	98.1	Very high	95.1	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	22%	0.217	C	C	.	.			trans	99.1	-161.8	-176.8	0	0	0	0	0	114	C470 L493 R516	C470-G486 CarbonylContact O-C 3.53Å; C470-G486 WeakPolarHBondContact O-CA 3.28Å; G486-L493 PolarHBondContact O-N 2.9Å; G486-R516 PolarHBondContact N-O 2.94Å
487	Y	98	Very high	95.3	Very high	67 Å²	67	31.5 Å²	31.5	26%	0.263	21%	0.207	S	C	.	.	B	Isolated β-bridge	trans	-136.6	130.5	-179.7	176.3	-110.7	0	0	0	109.7	I445 R469 C470 G489 G491 F492	I445-Y487 HydrophobicContact CD1-CD1 4Å; I445-Y487 HydrophobicContact CD1-CE1 4.15Å; R469-Y487 WeakPolarHBondContact CA-O 3.46Å; C470-Y487 PolarHBondContact N-O 2.73Å; C470-Y487 PolarHBondContact O-N 3.28Å; Y487-G489 VanDerWaalsContact CZ-C 3.44Å; Y487-G489 VanDerWaalsContact CZ-CA 3.44Å; Y487-G489 PolarHBondContact OH-O 2.97Å; Y487-G491 WeakPolarHBondContact CD2-O 3.39Å; Y487-F492 AromaticContact CD2-CD1 3.91Å; Y487-F492 HydrophobicContact CD2-CD1 3.91Å; Y487-F492 AromaticContact CD2-CE1 3.93Å; Y487-F492 HydrophobicContact CD2-CE1 3.93Å; Y487-F492 HydrophobicContact CD2-CG 4.43Å; Y487-F492 HydrophobicContact CD2-CZ 4.44Å; Y487-F492 HydrophobicContact CG-CD1 4.5Å; Y487-F492 HydrophobicContact CG-CE1 4.46Å
488	D	96.9	Very high	95.7	Very high	32 Å²	32	30.3 Å²	30.3	17%	0.171	20%	0.202	C	C	.	.			trans	-98.8	-0.5	-175.4	66.9	4	0	0	0	114.3	K468 S490 G491 L493	K468-D488 WeakPolarHBondContact CE-O 3.46Å; K468-D488 HydrophobicContact CG-CB 4.36Å; K468-D488 WeakPolarHBondContact O-CA 3.32Å; K468-D488 WeakPolarHBondContact O-CB 3.15Å; D488-S490 WeakPolarHBondContact OD1-CA 3.47Å; D488-S490 WeakPolarHBondContact OD1-CB 3.42Å; D488-S490 PolarHBondContact OD1-N 2.81Å; D488-S490 PolarHBondContact OD1-OG 3.35Å; D488-S490 PolarHBondContact OD2-OG 2.97Å; D488-G491 PolarHBondContact N-O 3.29Å; D488-G491 PolarHBondContact OD1-N 2.96Å; D488-L493 HydrophobicContact CB-CD1 4.25Å; D488-L493 HydrophobicContact CB-CD2 4.39Å
489	G	95.1	Very high	96.3	Very high	39 Å²	39	27.6 Å²	27.6	40%	0.402	17%	0.173	S	C	.	.	S	Bend	trans	100.7	-12.7	-173.5	0	0	0	0	0	114	I445 Y487	I445-G489 VanDerWaalsContact CD1-CA 3.47Å; I445-G489 VanDerWaalsContact CD1-N 3.29Å; Y487-G489 VanDerWaalsContact CZ-C 3.44Å; Y487-G489 VanDerWaalsContact CZ-CA 3.44Å; Y487-G489 PolarHBondContact OH-O 2.97Å
490	S	95	Very high	96.6	Very high	104 Å²	104	25.7 Å²	25.7	73%	0.727	16%	0.161	S	C	*	.	S	Bend	trans	-119.6	-38.4	178.7	73.5	0	0	0	0	112.1	D488	D488-S490 WeakPolarHBondContact OD1-CA 3.47Å; D488-S490 WeakPolarHBondContact OD1-CB 3.42Å; D488-S490 PolarHBondContact OD1-N 2.81Å; D488-S490 PolarHBondContact OD1-OG 3.35Å; D488-S490 PolarHBondContact OD2-OG 2.97Å
491	G	96.2	Very high	96.2	Very high	24 Å²	24	24.6 Å²	24.6	25%	0.247	17%	0.166	C	C	.	.			trans	-155.8	161.9	-175.3	0	0	0	0	0	113.6	Y487 D488	Y487-G491 WeakPolarHBondContact CD2-O 3.39Å; D488-G491 PolarHBondContact N-O 3.29Å; D488-G491 PolarHBondContact OD1-N 2.96Å
492	F	97.7	Very high	95.4	Very high	57 Å²	57	31.4 Å²	31.4	25%	0.25	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-81	136.7	172.9	-55.9	-75.9	0	0	0	109.9	Y487 R515 S517 Y534	Y487-F492 AromaticContact CD2-CD1 3.91Å; Y487-F492 HydrophobicContact CD2-CD1 3.91Å; Y487-F492 AromaticContact CD2-CE1 3.93Å; Y487-F492 HydrophobicContact CD2-CE1 3.93Å; Y487-F492 HydrophobicContact CD2-CG 4.43Å; Y487-F492 HydrophobicContact CD2-CZ 4.44Å; Y487-F492 HydrophobicContact CG-CD1 4.5Å; Y487-F492 HydrophobicContact CG-CE1 4.46Å; F492-R515 HydrophobicContact CB-CB 4.25Å; F492-R515 WeakPolarHBondContact O-CD 3.48Å; F492-R515 WeakPolarHBondContact O-CG 3.4Å; F492-S517 WeakPolarHBondContact CD1-OG 3.29Å; F492-Y534 HydrophobicContact CD1-CD1 4.4Å; F492-Y534 AromaticContact CE1-CD1 3.88Å; F492-Y534 HydrophobicContact CE1-CD1 3.88Å; F492-Y534 AromaticContact CE1-CE1 3.97Å; F492-Y534 HydrophobicContact CE1-CE1 3.97Å; F492-Y534 HydrophobicContact CE2-CE1 4.18Å; F492-Y534 HydrophobicContact CZ-CD1 4.06Å; F492-Y534 AromaticContact CZ-CE1 3.65Å; F492-Y534 HydrophobicContact CZ-CE1 3.65Å
493	L	97.8	Very high	94.7	Very high	33 Å²	33	33.5 Å²	33.5	17%	0.173	23%	0.226	C	C	.	.			trans	-103.9	144.8	-169.1	-53.8	177.9	0	0	0	111.7	R469 G485 G486 D488 R515 R516	R469-L493 HydrophobicContact CB-CD1 4.07Å; G485-L493 VanDerWaalsContact CA-O 3.28Å; G485-L493 WeakPolarHBondContact CA-O 3.32Å; G486-L493 PolarHBondContact O-N 2.9Å; D488-L493 HydrophobicContact CB-CD1 4.25Å; D488-L493 HydrophobicContact CB-CD2 4.39Å; L493-R515 WeakPolarHBondContact O-CA 3.45Å; L493-R516 PolarHBondContact O-N 2.89Å
494	S	97.6	Very high	94.3	Very high	33 Å²	33	34.6 Å²	34.6	23%	0.231	24%	0.238	C	C	.	.			trans	-107.9	-8.7	161.2	55.9	0	0	0	0	112.4	M512 T514	S494-M512 WeakPolarHBondContact CB-O 3.14Å; S494-M512 PolarHBondContact O-N 2.89Å; S494-T514 WeakPolarHBondContact CB-O 3.41Å
495	G	97.4	Very high	94.1	Very high	24 Å²	24	40.7 Å²	40.7	25%	0.247	27%	0.266	C	S	.	.			trans	-66.1	142.1	-175.9	0	0	0	0	0	112.9	R469 G485	R469-G495 PolarHBondContact NH1-O 3.23Å; G485-G495 PolarHBondContact N-O 2.82Å; G485-G495 VanDerWaalsContact N-O 3.1Å
496	V	97.8	Very high	94.1	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	129	179.9	-175.3	0	0	0	0	108.3	Y482 V483 A484 L509 M512 W553	Y482-V496 HydrophobicContact CD1-CG1 4.47Å; V483-V496 WeakPolarHBondContact O-CA 3.16Å; A484-V496 HydrophobicContact CB-CG1 4.38Å; A484-V496 HydrophobicContact CB-CG2 4Å; V496-L509 HydrophobicContact CB-CB 4.14Å; V496-L509 HydrophobicContact CG1-CB 4.13Å; V496-L509 HydrophobicContact CG1-CD2 4.05Å; V496-L509 PolarHBondContact O-N 2.74Å; V496-M512 HydrophobicContact CG2-CG 4.1Å; V496-W553 HydrophobicContact CG2-CZ2 3.87Å
497	E	97.5	Very high	94	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	145.3	173.2	-63.8	175.7	-143.9	0	0	109.5	M465 L466 N467 R469 Y482 V483 W506 S507 L508	M465-E497 WeakPolarHBondContact CB-OE2 3.43Å; L466-E497 WeakPolarHBondContact CB-OE2 3.27Å; L466-E497 HydrophobicContact CD1-CG 4.41Å; L466-E497 PolarHBondContact N-OE2 2.81Å; N467-E497 WeakPolarHBondContact CB-OE1 3.4Å; N467-E497 PolarHBondContact N-OE1 3.31Å; N467-E497 PolarHBondContact ND2-OE1 2.88Å; R469-E497 IonicContact CZ-OE1 3.73Å; R469-E497 IonicContact NE-OE1 3.36Å; R469-E497 IonicContact NH2-OE1 2.84Å; R469-E497 PolarHBondContact NH2-OE1 2.84Å; Y482-E497 WeakPolarHBondContact CA-O 3.44Å; V483-E497 HydrophobicContact CG2-CB 3.65Å; V483-E497 PolarHBondContact N-O 2.72Å; V483-E497 PolarHBondContact O-N 2.77Å; E497-W506 HydrophobicContact CB-CE3 3.72Å; E497-W506 HydrophobicContact CB-CZ3 4Å; E497-S507 CarbonylContact C-O 2.84Å; E497-S507 WeakPolarHBondContact CA-O 3.27Å; E497-L508 HydrophobicContact CG-CD2 3.8Å
498	V	96.8	Very high	94	Very high	8 Å²	8	47.3 Å²	47.3	5%	0.048	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	128	-177.1	-172.1	0	0	0	0	109.7	H480 M481 Y482 W506 S507 L509	H480-V498 HydrophobicContact CB-CG1 3.71Å; M481-V498 CarbonylContact O-C 3.37Å; M481-V498 VanDerWaalsContact O-CA 3.3Å; M481-V498 WeakPolarHBondContact O-CA 3.2Å; Y482-V498 HydrophobicContact CD1-CB 4.39Å; Y482-V498 HydrophobicContact CD1-CG1 4.16Å; Y482-V498 HydrophobicContact CD1-CG2 3.43Å; Y482-V498 VanDerWaalsContact CD1-CG2 3.43Å; Y482-V498 HydrophobicContact CE1-CB 4.39Å; Y482-V498 HydrophobicContact CE1-CG1 3.89Å; Y482-V498 HydrophobicContact CE1-CG2 3.53Å; Y482-V498 HydrophobicContact CE2-CG1 4.48Å; Y482-V498 HydrophobicContact CG-CG2 4.33Å; V498-W506 VanDerWaalsContact C-CE3 3.47Å; V498-W506 CarbonylContact O-C 3.58Å; V498-W506 VanDerWaalsContact O-CA 3.31Å; V498-W506 WeakPolarHBondContact O-CA 3.34Å; V498-S507 PolarHBondContact N-O 2.98Å; V498-S507 PolarHBondContact O-N 2.78Å; V498-L509 HydrophobicContact CG2-CB 3.8Å; V498-L509 HydrophobicContact CG2-CD2 3.94Å; V498-L509 HydrophobicContact CG2-CG 4.34Å
499	L	96.5	Very high	93.9	Very high	5 Å²	5	48 Å²	48	3%	0.026	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	117.7	170.6	179.2	64.3	0	0	0	108.8	F430 F435 H480 M481 G504 W506	F430-L499 HydrophobicContact CD1-CD2 4.48Å; F430-L499 HydrophobicContact CE1-CD2 4.11Å; F430-L499 HydrophobicContact CE1-CG 4.38Å; F435-L499 HydrophobicContact CE1-CD2 4.39Å; H480-L499 WeakPolarHBondContact CA-O 3.1Å; M481-L499 HydrophobicContact CB-CB 4.24Å; M481-L499 PolarHBondContact N-O 2.82Å; M481-L499 PolarHBondContact O-N 3.18Å; L499-G504 VanDerWaalsContact CD1-C 3.45Å; L499-W506 HydrophobicContact CB-CD2 3.86Å; L499-W506 HydrophobicContact CB-CE3 3.83Å; L499-W506 HydrophobicContact CB-CH2 3.8Å; L499-W506 HydrophobicContact CB-CZ2 3.82Å; L499-W506 HydrophobicContact CB-CZ3 3.8Å; L499-W506 HydrophobicContact CD1-CD2 4.25Å; L499-W506 HydrophobicContact CD1-CG 4.23Å; L499-W506 HydrophobicContact CD2-CZ2 4.04Å; L499-W506 HydrophobicContact CG-CZ2 4.39Å
500	A	90.8	Very high	93.9	Very high	22 Å²	22	48.6 Å²	48.6	18%	0.182	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	127.3	174.5	0	0	0	0	0	110.9	V502 S503 G504 Q505	A500-V502 VanDerWaalsContact C-N 3.32Å; A500-V502 PolarHBondContact O-N 3.09Å; A500-S503 WeakPolarHBondContact CB-OG 3.38Å; A500-S503 PolarHBondContact O-N 3.39Å; A500-G504 WeakPolarHBondContact O-CA 3.36Å; A500-G504 PolarHBondContact O-N 2.94Å; A500-Q505 PolarHBondContact N-O 3.15Å
501	G	82.6	Confident	94	Very high	40 Å²	40	45.8 Å²	45.8	41%	0.412	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-34.6	-174.9	0	0	0	0	0	114	F430 S479	F430-G501 VanDerWaalsContact CZ-CA 3.48Å; S479-G501 PolarHBondContact O-N 2.84Å
502	V	79	Confident	94.1	Very high	143 Å²	143	45 Å²	45	87%	0.867	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-41.8	-177.2	-176.7	0	0	0	0	112	A500	A500-V502 VanDerWaalsContact C-N 3.32Å; A500-V502 PolarHBondContact O-N 3.09Å
503	S	84.1	Confident	94.1	Very high	72 Å²	72	46.2 Å²	46.2	50%	0.503	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-20.3	-176.6	64.5	0	0	0	0	113.6	A500 Q505	A500-S503 WeakPolarHBondContact CB-OG 3.38Å; A500-S503 PolarHBondContact O-N 3.39Å; S503-Q505 PolarHBondContact O-N 2.82Å; S503-Q505 PolarHBondContact OG-N 2.78Å
504	G	89.4	Confident	94	Very high	24 Å²	24	46.2 Å²	46.2	25%	0.247	29%	0.292	C	S	.	.			trans	62.6	22.1	-171.8	0	0	0	0	0	113.4	P463 L499 A500	P463-G504 VanDerWaalsContact CG-O 3.27Å; P463-G504 WeakPolarHBondContact CG-O 3.24Å; L499-G504 VanDerWaalsContact CD1-C 3.45Å; A500-G504 WeakPolarHBondContact O-CA 3.36Å; A500-G504 PolarHBondContact O-N 2.94Å
505	Q	94	Very high	94	Very high	128 Å²	128	51.9 Å²	51.9	60%	0.598	31%	0.308	S	S	*	.			trans	-106.6	140.7	-178.2	-64.7	-59.3	-48	0	0	111.8	A500 S503	A500-Q505 PolarHBondContact N-O 3.15Å; S503-Q505 PolarHBondContact O-N 2.82Å; S503-Q505 PolarHBondContact OG-N 2.78Å
506	W	97.8	Very high	94	Very high	20 Å²	20	50.7 Å²	50.7	8%	0.076	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	137.8	170.7	-71.6	97.5	0	0	0	110.9	V449 P463 A464 M465 L466 M481 V483 E497 V498 L499	V449-W506 HydrophobicContact CG2-CZ2 4.1Å; P463-W506 PolarHBondContact O-NE1 3.33Å; A464-W506 PolarHBondContact O-NE1 2.85Å; M465-W506 HydrophobicContact CG-CD2 4.5Å; M465-W506 HydrophobicContact CG-CH2 3.98Å; M465-W506 HydrophobicContact CG-CZ2 3.74Å; M465-W506 HydrophobicContact CG-CZ3 4.46Å; L466-W506 HydrophobicContact CD1-CB 4.38Å; L466-W506 HydrophobicContact CD2-CB 4.02Å; L466-W506 HydrophobicContact CG-CB 3.87Å; M481-W506 HydrophobicContact CE-CH2 4.43Å; M481-W506 HydrophobicContact CG-CH2 4.47Å; M481-W506 HydrophobicContact SD-CH2 4.48Å; V483-W506 HydrophobicContact CG1-CH2 3.96Å; V483-W506 HydrophobicContact CG1-CZ3 4.31Å; V483-W506 HydrophobicContact CG2-CH2 4.06Å; V483-W506 HydrophobicContact CG2-CZ3 3.69Å; E497-W506 HydrophobicContact CB-CE3 3.72Å; E497-W506 HydrophobicContact CB-CZ3 4Å; V498-W506 VanDerWaalsContact C-CE3 3.47Å; V498-W506 CarbonylContact O-C 3.58Å; V498-W506 VanDerWaalsContact O-CA 3.31Å; V498-W506 WeakPolarHBondContact O-CA 3.34Å; L499-W506 HydrophobicContact CB-CD2 3.86Å; L499-W506 HydrophobicContact CB-CE3 3.83Å; L499-W506 HydrophobicContact CB-CH2 3.8Å; L499-W506 HydrophobicContact CB-CZ2 3.82Å; L499-W506 HydrophobicContact CB-CZ3 3.8Å; L499-W506 HydrophobicContact CD1-CD2 4.25Å; L499-W506 HydrophobicContact CD1-CG 4.23Å; L499-W506 HydrophobicContact CD2-CZ2 4.04Å; L499-W506 HydrophobicContact CG-CZ2 4.39Å
507	S	96.8	Very high	93.9	Very high	65 Å²	65	50.7 Å²	50.7	46%	0.455	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	160.9	171.3	64.6	0	0	0	0	110.9	E497 V498	E497-S507 CarbonylContact C-O 2.84Å; E497-S507 WeakPolarHBondContact CA-O 3.27Å; V498-S507 PolarHBondContact N-O 2.98Å; V498-S507 PolarHBondContact O-N 2.78Å
508	L	96.7	Very high	93.8	Very high	120 Å²	120	54.1 Å²	54.1	63%	0.628	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.9	137.2	174.9	-68.2	168.9	0	0	0	110.2	L466 E497	L466-L508 HydrophobicContact CD1-CD2 4.12Å; L466-L508 HydrophobicContact CD1-CG 3.89Å; E497-L508 HydrophobicContact CG-CD2 3.8Å
509	L	94.6	Very high	93.8	Very high	46 Å²	46	54 Å²	54	24%	0.241	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	168.9	170.7	-167.6	68.2	0	0	0	110	Y482 V496 V498 A511 L546 N551	Y482-L509 HydrophobicContact CD1-CD2 4.1Å; Y482-L509 HydrophobicContact CE1-CD2 3.87Å; V496-L509 HydrophobicContact CB-CB 4.14Å; V496-L509 HydrophobicContact CG1-CB 4.13Å; V496-L509 HydrophobicContact CG1-CD2 4.05Å; V496-L509 PolarHBondContact O-N 2.74Å; V498-L509 HydrophobicContact CG2-CB 3.8Å; V498-L509 HydrophobicContact CG2-CD2 3.94Å; V498-L509 HydrophobicContact CG2-CG 4.34Å; L509-A511 PolarHBondContact O-N 3.07Å; L509-L546 HydrophobicContact CD2-CD2 3.63Å; L509-N551 WeakPolarHBondContact CD1-OD1 3.46Å
510	V	95.8	Very high	93.8	Very high	52 Å²	52	54.9 Å²	54.9	32%	0.315	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-49.4	130.4	171.1	67.8	0	0	0	0	110.6	L546 N551 W553	V510-L546 HydrophobicContact CG1-CD1 3.78Å; V510-N551 VanDerWaalsContact CG1-O 3.26Å; V510-N551 WeakPolarHBondContact CG1-O 3.33Å; V510-W553 PolarHBondContact O-NE1 2.82Å; V510-W553 VanDerWaalsContact O-NE1 3.12Å
511	A	97.4	Very high	94.1	Very high	46 Å²	46	54.6 Å²	54.6	38%	0.38	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-69.6	150.3	178.3	0	0	0	0	0	111	L509	L509-A511 PolarHBondContact O-N 3.07Å
512	M	97.8	Very high	94.8	Very high	6 Å²	6	53.6 Å²	53.6	3%	0.03	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-59.7	154	168.9	-64.5	177.9	-62.9	0	0	110.4	A484 S494 V496 T514 R516 A530 W553	A484-M512 HydrophobicContact CB-CE 4.15Å; A484-M512 HydrophobicContact CB-SD 4.13Å; S494-M512 WeakPolarHBondContact CB-O 3.14Å; S494-M512 PolarHBondContact O-N 2.89Å; V496-M512 HydrophobicContact CG2-CG 4.1Å; M512-T514 WeakPolarHBondContact CB-O 3.45Å; M512-T514 PolarHBondContact O-N 3.12Å; M512-R516 HydrophobicContact CE-CB 4.09Å; M512-R516 HydrophobicContact CE-CG 4.14Å; M512-R516 HydrophobicContact SD-CG 4.46Å; M512-A530 HydrophobicContact SD-CB 3.55Å; M512-A530 VanDerWaalsContact SD-CB 3.55Å; M512-W553 HydrophobicContact CB-CD2 4.47Å; M512-W553 HydrophobicContact CB-CG 4.46Å; M512-W553 HydrophobicContact CG-CD2 3.77Å; M512-W553 HydrophobicContact CG-CE3 4.21Å; M512-W553 HydrophobicContact CG-CG 4.22Å; M512-W553 HydrophobicContact CG-CH2 4.2Å; M512-W553 HydrophobicContact CG-CZ2 3.78Å; M512-W553 HydrophobicContact CG-CZ3 4.4Å; M512-W553 HydrophobicContact SD-CH2 4.41Å; M512-W553 HydrophobicContact SD-CZ2 4.46Å
513	N	97.5	Very high	95.4	Very high	84 Å²	84	48.7 Å²	48.7	45%	0.449	27%	0.269	S	S	.	.	S	Bend	trans	-64.4	-32.2	177.2	-60.5	-71.6	0	0	0	111.3	E544 W553 F555	N513-E544 WeakPolarHBondContact CA-OE2 3.13Å; N513-E544 WeakPolarHBondContact CB-OE2 3.43Å; N513-E544 PolarHBondContact N-OE2 2.99Å; N513-E544 PolarHBondContact ND2-OE2 2.86Å; N513-W553 VanDerWaalsContact ND2-CB 3.35Å; N513-W553 WeakPolarHBondContact ND2-CB 3.47Å; N513-W553 PolarHBondContact ND2-O 2.81Å; N513-F555 HydrophobicContact CB-CE2 3.86Å; N513-F555 HydrophobicContact CB-CZ 3.65Å
514	T	96.5	Very high	95.6	Very high	33 Å²	33	45.6 Å²	45.6	20%	0.202	25%	0.247	C	C	.	.	S	Bend	trans	-118.4	148	179	-48.7	0	0	0	0	111	S494 M512 D535 L540 E544	S494-T514 WeakPolarHBondContact CB-O 3.41Å; M512-T514 WeakPolarHBondContact CB-O 3.45Å; M512-T514 PolarHBondContact O-N 3.12Å; T514-D535 HydrophobicContact CG2-CB 3.99Å; T514-L540 HydrophobicContact CG2-CD1 3.9Å; T514-L540 HydrophobicContact CG2-CD2 4.33Å; T514-E544 PolarHBondContact N-OE1 2.85Å
515	R	97.6	Very high	95.1	Very high	151 Å²	151	45.8 Å²	45.8	57%	0.57	25%	0.246	S	C	*	.			trans	-71	135.5	169.5	-68.8	176.5	-104.3	-175	-4.5	108.5	F492 L493 D535	F492-R515 HydrophobicContact CB-CB 4.25Å; F492-R515 WeakPolarHBondContact O-CD 3.48Å; F492-R515 WeakPolarHBondContact O-CG 3.4Å; L493-R515 WeakPolarHBondContact O-CA 3.45Å; R515-D535 WeakPolarHBondContact O-CA 3.4Å; R515-D535 VanDerWaalsContact O-CB 3.26Å; R515-D535 WeakPolarHBondContact O-CB 3.4Å
516	R	96.5	Very high	94.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.23	C	C	.	.			trans	-141.7	108.4	-175.8	-50.7	179.3	171.5	-94.5	-6.6	111	G485 G486 L493 M512 V519 G532 L540 S542 E544	G485-R516 CarbonylContact C-O 3.59Å; G485-R516 WeakPolarHBondContact CA-O 3.39Å; G486-R516 PolarHBondContact N-O 2.94Å; L493-R516 PolarHBondContact O-N 2.89Å; M512-R516 HydrophobicContact CE-CB 4.09Å; M512-R516 HydrophobicContact CE-CG 4.14Å; M512-R516 HydrophobicContact SD-CG 4.46Å; R516-V519 HydrophobicContact CB-CB 3.68Å; R516-V519 HydrophobicContact CB-CG1 4.2Å; R516-V519 HydrophobicContact CB-CG2 3.93Å; R516-G532 PolarHBondContact NH1-O 2.88Å; R516-L540 HydrophobicContact CB-CD1 4.5Å; R516-L540 HydrophobicContact CG-CD1 3.8Å; R516-S542 PolarHBondContact NH1-O 2.75Å; R516-S542 PolarHBondContact NH1-OG 3.48Å; R516-S542 PolarHBondContact NH2-OG 2.97Å; R516-E544 IonicContact CZ-OE1 3.4Å; R516-E544 IonicContact NE-OE1 3.86Å; R516-E544 PolarHBondContact NE-OE1 2.86Å; R516-E544 IonicContact NH2-OE1 2.78Å; R516-E544 PolarHBondContact NH2-OE1 2.81Å
517	S	96.3	Very high	94	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-95.4	158.3	159.9	68.7	0	0	0	0	110.5	R471 F492 V519 G533 Y534	R471-S517 CarbonylContact O-C 3.53Å; F492-S517 WeakPolarHBondContact CD1-OG 3.29Å; S517-V519 PolarHBondContact O-N 3.48Å; S517-G533 CarbonylContact O-C 3.59Å; S517-G533 VanDerWaalsContact O-C 3.31Å; S517-G533 WeakPolarHBondContact O-CA 3.4Å; S517-Y534 PolarHBondContact N-O 3.49Å; S517-Y534 PolarHBondContact O-N 3.42Å; S517-Y534 PolarHBondContact OG-O 2.93Å
518	R	95.9	Very high	93.9	Very high	72 Å²	72	40.7 Å²	40.7	27%	0.272	22%	0.219	S	C	.	.	S	Bend	trans	54.4	31.5	-172.5	-45.7	177.5	-167.4	-159.5	5.1	111.8	R471	R471-R518 HydrophobicContact CB-CG 4.14Å; R471-R518 HydrophobicContact CG-CG 4.39Å; R471-R518 WeakPolarHBondContact O-CA 3.37Å; R471-R518 PolarHBondContact O-N 3.33Å
519	V	96.8	Very high	94	Very high	5 Å²	5	35.2 Å²	35.2	3%	0.03	19%	0.19	C	C	.	.			trans	-80.6	135.9	178.9	63.2	0	0	0	0	108.8	G473 A484 R516 S517 A530	G473-V519 WeakPolarHBondContact CA-O 3.13Å; G473-V519 PolarHBondContact N-O 2.75Å; A484-V519 VanDerWaalsContact O-CG1 3.23Å; A484-V519 WeakPolarHBondContact O-CG1 3.24Å; R516-V519 HydrophobicContact CB-CB 3.68Å; R516-V519 HydrophobicContact CB-CG1 4.2Å; R516-V519 HydrophobicContact CB-CG2 3.93Å; S517-V519 PolarHBondContact O-N 3.48Å; V519-A530 HydrophobicContact CG2-CB 3.92Å
520	S	96.8	Very high	94.1	Very high	23 Å²	23	33 Å²	33	16%	0.161	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	132.1	168.6	-80.4	0	0	0	0	109	V531 V566	S520-V531 PolarHBondContact N-O 2.98Å; S520-V531 PolarHBondContact O-N 2.9Å; S520-V566 PolarHBondContact OG-O 2.74Å
521	L	97	Very high	94.2	Very high	17 Å²	17	30.6 Å²	30.6	9%	0.089	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	128	179.6	-165	70.6	0	0	0	108	A475 A484 L528 Y529 A530 W553	A475-L521 HydrophobicContact CB-CB 4.28Å; A475-L521 HydrophobicContact CB-CD2 3.98Å; A475-L521 HydrophobicContact CB-CG 3.88Å; A484-L521 HydrophobicContact CB-CD1 3.95Å; A484-L521 HydrophobicContact CB-CD2 3.93Å; L521-L528 HydrophobicContact CD1-CD1 3.98Å; L521-L528 HydrophobicContact CD1-CD2 3.98Å; L521-L528 HydrophobicContact CD1-CG 3.74Å; L521-L528 HydrophobicContact CD2-CD1 4.03Å; L521-L528 HydrophobicContact CD2-CD2 4.22Å; L521-L528 HydrophobicContact CD2-CG 4.42Å; L521-L528 HydrophobicContact CG-CD1 3.73Å; L521-L528 HydrophobicContact CG-CD2 4.38Å; L521-L528 HydrophobicContact CG-CG 4.08Å; L521-Y529 WeakPolarHBondContact CA-O 3.31Å; L521-A530 HydrophobicContact CD1-CB 4.17Å; L521-W553 HydrophobicContact CD1-CH2 4.21Å
522	V	95.6	Very high	94.1	Very high	18 Å²	18	28.4 Å²	28.4	11%	0.109	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	147.6	-179.6	67.6	0	0	0	0	109.9	I292 Y529 V531 V568 C570	I292-V522 HydrophobicContact CD1-CG1 3.74Å; I292-V522 HydrophobicContact CG1-CG1 4.07Å; I292-V522 HydrophobicContact CG2-CG1 4.03Å; V522-Y529 PolarHBondContact N-O 3.21Å; V522-Y529 PolarHBondContact O-N 2.78Å; V522-V531 HydrophobicContact CG1-CG2 4.5Å; V522-V568 HydrophobicContact CB-CG1 3.83Å; V522-V568 HydrophobicContact CG1-CG1 3.73Å; V522-V568 HydrophobicContact CG2-CG1 4.21Å; V522-C570 HydrophobicContact CG2-CB 3.72Å
523	S	91.7	Very high	94	Very high	41 Å²	41	28.1 Å²	28.1	29%	0.287	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	132.7	175.2	57	0	0	0	0	110.6	A476 R527	A476-S523 WeakPolarHBondContact O-CB 3.25Å; A476-S523 PolarHBondContact O-OG 3.22Å; S523-R527 VanDerWaalsContact CA-O 3.23Å; S523-R527 WeakPolarHBondContact CA-O 3.33Å
524	T	88.6	Confident	93.8	Very high	7 Å²	7	27 Å²	27	4%	0.043	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	152.2	174.3	-174.9	0	0	0	0	108.9	G290 I292 P313 G526 R527 Y529 C570	G290-T524 WeakPolarHBondContact CA-OG1 3.5Å; G290-T524 PolarHBondContact N-OG1 2.96Å; G290-T524 PolarHBondContact O-OG1 3.38Å; I292-T524 HydrophobicContact CD1-CG2 3.73Å; I292-T524 HydrophobicContact CG1-CG2 3.98Å; P313-T524 HydrophobicContact CG-CG2 4.22Å; T524-G526 PolarHBondContact O-N 2.9Å; T524-G526 VanDerWaalsContact O-N 3.1Å; T524-R527 PolarHBondContact N-O 3.48Å; T524-R527 PolarHBondContact O-N 2.61Å; T524-R527 VanDerWaalsContact O-O 3.12Å; T524-Y529 HydrophobicContact CG2-CD2 3.82Å; T524-Y529 HydrophobicContact CG2-CE2 3.43Å; T524-Y529 VanDerWaalsContact CG2-CE2 3.43Å; T524-C570 VanDerWaalsContact CB-SG 3.56Å; T524-C570 PolarHBondContact OG1-SG 3.03Å
525	A	79.6	Confident	93.8	Very high	28 Å²	28	27.2 Å²	27.2	23%	0.231	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.6	37.4	-179.6	0	0	0	0	0	114.6	T286 R527	T286-A525 CarbonylContact O-C 3.6Å; T286-A525 WeakPolarHBondContact O-CA 3.48Å; A525-R527 PolarHBondContact O-N 3.26Å
526	G	80.9	Confident	93.5	Very high	25 Å²	25	21.1 Å²	21.1	26%	0.258	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	70	10.3	-178.8	0	0	0	0	0	114.8	T286 T524	T286-G526 PolarHBondContact O-N 3.41Å; T286-G526 VanDerWaalsContact O-N 3.08Å; T524-G526 PolarHBondContact O-N 2.9Å; T524-G526 VanDerWaalsContact O-N 3.1Å
527	R	88.4	Confident	93.3	Very high	80 Å²	80	29.4 Å²	29.4	30%	0.302	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	155.5	-174	-67.9	164.4	-179.2	-109.5	-4.2	110.7	S523 T524 A525 Y529 M545	S523-R527 VanDerWaalsContact CA-O 3.23Å; S523-R527 WeakPolarHBondContact CA-O 3.33Å; T524-R527 PolarHBondContact N-O 3.48Å; T524-R527 PolarHBondContact O-N 2.61Å; T524-R527 VanDerWaalsContact O-O 3.12Å; A525-R527 PolarHBondContact O-N 3.26Å; R527-Y529 HydrophobicContact CB-CD2 4.42Å; R527-Y529 HydrophobicContact CB-CE2 3.61Å; R527-M545 HydrophobicContact CB-CG 4.21Å; R527-M545 HydrophobicContact CG-SD 4.42Å; R527-M545 PolarHBondContact NH1-SD 3.21Å
528	L	94.4	Very high	93.1	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	129.5	179.3	-169.6	70.9	0	0	0	109.8	A475 L477 Y482 L521 M545 L546 W553	A475-L528 HydrophobicContact CB-CD1 3.78Å; L477-L528 HydrophobicContact CD2-CB 4.42Å; Y482-L528 HydrophobicContact CD1-CD2 3.75Å; Y482-L528 HydrophobicContact CD2-CD2 4.5Å; Y482-L528 HydrophobicContact CE1-CD2 4.47Å; Y482-L528 HydrophobicContact CG-CD2 3.79Å; L521-L528 HydrophobicContact CD1-CD1 3.98Å; L521-L528 HydrophobicContact CD1-CD2 3.98Å; L521-L528 HydrophobicContact CD1-CG 3.74Å; L521-L528 HydrophobicContact CD2-CD1 4.03Å; L521-L528 HydrophobicContact CD2-CD2 4.22Å; L521-L528 HydrophobicContact CD2-CG 4.42Å; L521-L528 HydrophobicContact CG-CD1 3.73Å; L521-L528 HydrophobicContact CG-CD2 4.38Å; L521-L528 HydrophobicContact CG-CG 4.08Å; L528-M545 CarbonylContact O-C 3.46Å; L528-M545 VanDerWaalsContact O-CA 3.31Å; L528-M545 WeakPolarHBondContact O-CA 3.41Å; L528-L546 HydrophobicContact CB-CB 4.12Å; L528-L546 HydrophobicContact CD2-CD2 4.48Å; L528-L546 PolarHBondContact O-N 2.94Å; L528-W553 HydrophobicContact CD2-CH2 3.86Å; L528-W553 HydrophobicContact CD2-CZ2 4.21Å; L528-W553 HydrophobicContact CG-CH2 4.18Å
529	Y	97.3	Very high	92.9	Very high	5 Å²	5	30.8 Å²	30.8	2%	0.02	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	126.1	-177.7	-63.5	-100	0	0	0	110.6	I292 F311 P313 L521 V522 T524 R527 V543 E544 M545 M556	I292-Y529 HydrophobicContact CD1-CD1 4.06Å; I292-Y529 HydrophobicContact CD1-CD2 3.81Å; I292-Y529 HydrophobicContact CD1-CE2 4.3Å; I292-Y529 HydrophobicContact CD1-CG 3.69Å; F311-Y529 HydrophobicContact CE1-CD1 4.4Å; F311-Y529 HydrophobicContact CE1-CE1 4.1Å; P313-Y529 HydrophobicContact CB-CE1 4.43Å; L521-Y529 WeakPolarHBondContact CA-O 3.31Å; V522-Y529 PolarHBondContact N-O 3.21Å; V522-Y529 PolarHBondContact O-N 2.78Å; T524-Y529 HydrophobicContact CG2-CD2 3.82Å; T524-Y529 HydrophobicContact CG2-CE2 3.43Å; T524-Y529 VanDerWaalsContact CG2-CE2 3.43Å; R527-Y529 HydrophobicContact CB-CD2 4.42Å; R527-Y529 HydrophobicContact CB-CE2 3.61Å; Y529-V543 HydrophobicContact CD1-CG1 4.39Å; Y529-E544 CarbonylContact C-O 3.56Å; Y529-E544 WeakPolarHBondContact CA-O 3.44Å; Y529-M545 HydrophobicContact CD1-CB 3.76Å; Y529-M545 HydrophobicContact CD1-CG 4.03Å; Y529-M545 HydrophobicContact CE1-CB 3.69Å; Y529-M545 HydrophobicContact CE1-CG 3.59Å; Y529-M545 HydrophobicContact CE1-SD 3.89Å; Y529-M545 HydrophobicContact CE2-CG 4.34Å; Y529-M556 HydrophobicContact CD1-CG 4.48Å; Y529-M556 HydrophobicContact CE1-CG 4.32Å
530	A	97.8	Very high	92.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	110.5	171.1	0	0	0	0	0	108.9	M512 V519 L521 V543 E544 W553	M512-A530 HydrophobicContact SD-CB 3.55Å; M512-A530 VanDerWaalsContact SD-CB 3.55Å; V519-A530 HydrophobicContact CG2-CB 3.92Å; L521-A530 HydrophobicContact CD1-CB 4.17Å; A530-V543 WeakPolarHBondContact O-CA 3.39Å; A530-E544 HydrophobicContact CB-CB 4.5Å; A530-E544 PolarHBondContact N-O 3.31Å; A530-E544 PolarHBondContact O-N 3.26Å; A530-W553 HydrophobicContact CB-CH2 4.11Å; A530-W553 HydrophobicContact CB-CZ3 3.73Å
531	V	97.6	Very high	92.6	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.006	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	117.9	-170.5	-176.7	0	0	0	0	109.9	I292 W318 S520 V522 V543 M559 V566 V568	I292-V531 HydrophobicContact CG2-CG2 4.39Å; W318-V531 HydrophobicContact CH2-CG1 4.17Å; W318-V531 HydrophobicContact CZ2-CG1 4.39Å; S520-V531 PolarHBondContact N-O 2.98Å; S520-V531 PolarHBondContact O-N 2.9Å; V522-V531 HydrophobicContact CG1-CG2 4.5Å; V531-V543 HydrophobicContact CG1-CG2 4.33Å; V531-V543 HydrophobicContact CG2-CG1 4.26Å; V531-M559 HydrophobicContact CG1-CE 4.24Å; V531-M559 HydrophobicContact CG1-CG 4.49Å; V531-M559 HydrophobicContact CG1-SD 3.65Å; V531-V566 HydrophobicContact CG1-CG2 3.99Å; V531-V568 HydrophobicContact CB-CG2 3.95Å; V531-V568 HydrophobicContact CG1-CG2 3.98Å; V531-V568 HydrophobicContact CG2-CG2 4.26Å
532	G	95.4	Very high	92.6	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	57.9	-147.7	174.6	0	0	0	0	0	114.8	R516 L540 S542	R516-G532 PolarHBondContact NH1-O 2.88Å; G532-L540 CarbonylContact C-O 3.58Å; G532-L540 WeakPolarHBondContact CA-O 3.2Å; G532-S542 WeakPolarHBondContact CA-O 3.2Å; G532-S542 PolarHBondContact N-O 3Å
533	G	94.9	Very high	92.7	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	120	-151.6	177.4	0	0	0	0	0	112.6	S517 N539 L540	S517-G533 CarbonylContact O-C 3.59Å; S517-G533 VanDerWaalsContact O-C 3.31Å; S517-G533 WeakPolarHBondContact O-CA 3.4Å; G533-N539 CarbonylContact O-C 3.54Å; G533-N539 WeakPolarHBondContact O-CA 3.03Å; G533-L540 PolarHBondContact N-O 2.83Å; G533-L540 PolarHBondContact O-N 3.34Å
534	Y	94.8	Very high	93	Very high	61 Å²	61	29.9 Å²	29.9	24%	0.239	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	124.6	179.5	176.4	-104.9	0	0	0	109.2	F492 S517 G536 S538 N539	F492-Y534 HydrophobicContact CD1-CD1 4.4Å; F492-Y534 AromaticContact CE1-CD1 3.88Å; F492-Y534 HydrophobicContact CE1-CD1 3.88Å; F492-Y534 AromaticContact CE1-CE1 3.97Å; F492-Y534 HydrophobicContact CE1-CE1 3.97Å; F492-Y534 HydrophobicContact CE2-CE1 4.18Å; F492-Y534 HydrophobicContact CZ-CD1 4.06Å; F492-Y534 AromaticContact CZ-CE1 3.65Å; F492-Y534 HydrophobicContact CZ-CE1 3.65Å; S517-Y534 PolarHBondContact N-O 3.49Å; S517-Y534 PolarHBondContact O-N 3.42Å; S517-Y534 PolarHBondContact OG-O 2.93Å; Y534-G536 VanDerWaalsContact CZ-C 3.41Å; Y534-G536 PolarHBondContact OH-O 3.4Å; Y534-G536 VanDerWaalsContact OH-O 3.1Å; Y534-S538 WeakPolarHBondContact CA-O 3.42Å; Y534-S538 WeakPolarHBondContact CD2-O 3.12Å; Y534-N539 WeakPolarHBondContact CD2-OD1 3.47Å
535	D	94.9	Very high	93.4	Very high	36 Å²	36	30 Å²	30	19%	0.193	17%	0.17	C	C	.	.			trans	-89.2	-5.8	-173.3	66.5	-2.1	0	0	0	114.8	T514 R515 Q537 S538 L540	T514-D535 HydrophobicContact CG2-CB 3.99Å; R515-D535 WeakPolarHBondContact O-CA 3.4Å; R515-D535 VanDerWaalsContact O-CB 3.26Å; R515-D535 WeakPolarHBondContact O-CB 3.4Å; D535-Q537 WeakPolarHBondContact OD1-CA 3.45Å; D535-Q537 PolarHBondContact OD1-N 3.47Å; D535-S538 PolarHBondContact N-O 3.42Å; D535-S538 PolarHBondContact OD1-N 2.81Å; D535-L540 HydrophobicContact CB-CD1 4.11Å; D535-L540 HydrophobicContact CB-CD2 4.12Å; D535-L540 HydrophobicContact CB-CG 4.31Å
536	G	92.4	Very high	94.1	Very high	24 Å²	24	29.3 Å²	29.3	25%	0.247	16%	0.162	C	C	.	.	S	Bend	trans	107.2	-8	-172.1	0	0	0	0	0	114.3	Y534	Y534-G536 VanDerWaalsContact CZ-C 3.41Å; Y534-G536 PolarHBondContact OH-O 3.4Å; Y534-G536 VanDerWaalsContact OH-O 3.1Å
537	Q	91.9	Very high	94.1	Very high	174 Å²	174	29.6 Å²	29.6	81%	0.813	16%	0.158	S	C	*	.	S	Bend	trans	-125.9	-53	177.5	-61.6	-174.6	0.9	0	0	110.7	D535	D535-Q537 WeakPolarHBondContact OD1-CA 3.45Å; D535-Q537 PolarHBondContact OD1-N 3.47Å
538	S	91.7	Very high	93.5	Very high	62 Å²	62	29.4 Å²	29.4	43%	0.434	17%	0.167	S	C	.	.	S	Bend	trans	-133.2	157.8	-178.2	60.6	0	0	0	0	112.2	Y534 D535	Y534-S538 WeakPolarHBondContact CA-O 3.42Å; Y534-S538 WeakPolarHBondContact CD2-O 3.12Å; D535-S538 PolarHBondContact N-O 3.42Å; D535-S538 PolarHBondContact OD1-N 2.81Å
539	N	91.9	Very high	92.5	Very high	39 Å²	39	35.9 Å²	35.9	21%	0.209	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	141.6	166.9	-57.4	-52	0	0	0	108.1	N299 G533 Y534 E563	N299-N539 PolarHBondContact O-ND2 2.8Å; N299-N539 VanDerWaalsContact O-ND2 3.07Å; G533-N539 CarbonylContact O-C 3.54Å; G533-N539 WeakPolarHBondContact O-CA 3.03Å; Y534-N539 WeakPolarHBondContact CD2-OD1 3.47Å; N539-E563 CarbonylContact C-O 3.57Å; N539-E563 VanDerWaalsContact CA-O 3.31Å; N539-E563 WeakPolarHBondContact CA-O 2.86Å; N539-E563 HydrophobicContact CB-CB 4.29Å; N539-E563 WeakPolarHBondContact CB-O 3.31Å
540	L	93.9	Very high	91.7	Very high	16 Å²	16	39.3 Å²	39.3	8%	0.084	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	126.8	-177.4	-57.3	175.2	0	0	0	111.9	T514 R516 G532 G533 D535 E563 G564	T514-L540 HydrophobicContact CG2-CD1 3.9Å; T514-L540 HydrophobicContact CG2-CD2 4.33Å; R516-L540 HydrophobicContact CB-CD1 4.5Å; R516-L540 HydrophobicContact CG-CD1 3.8Å; G532-L540 CarbonylContact C-O 3.58Å; G532-L540 WeakPolarHBondContact CA-O 3.2Å; G533-L540 PolarHBondContact N-O 2.83Å; G533-L540 PolarHBondContact O-N 3.34Å; D535-L540 HydrophobicContact CB-CD1 4.11Å; D535-L540 HydrophobicContact CB-CD2 4.12Å; D535-L540 HydrophobicContact CB-CG 4.31Å; L540-E563 CarbonylContact C-O 3.56Å; L540-E563 WeakPolarHBondContact CA-O 3.47Å; L540-E563 PolarHBondContact N-O 3.02Å; L540-E563 CarbonylContact O-C 3.53Å; L540-G564 WeakPolarHBondContact O-CA 3.4Å
541	S	94.7	Very high	91.2	Very high	44 Å²	44	43.1 Å²	43.1	31%	0.308	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	-13.1	161.9	62	0	0	0	0	113	P558 M559 H562	S541-P558 WeakPolarHBondContact O-CA 3.26Å; S541-M559 PolarHBondContact O-N 2.83Å; S541-H562 WeakPolarHBondContact CB-O 3.2Å
542	S	96.6	Very high	91	Very high	24 Å²	24	50.9 Å²	50.9	17%	0.168	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	146.6	-174.2	60	0	0	0	0	112.4	R516 G532	R516-S542 PolarHBondContact NH1-O 2.75Å; R516-S542 PolarHBondContact NH1-OG 3.48Å; R516-S542 PolarHBondContact NH2-OG 2.97Å; G532-S542 WeakPolarHBondContact CA-O 3.2Å; G532-S542 PolarHBondContact N-O 3Å
543	V	97.4	Very high	91.1	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	133.2	177.7	-178.2	0	0	0	0	107.7	W318 Y529 A530 V531 F555 M556 M559	W318-V543 HydrophobicContact CZ2-CG2 3.69Å; Y529-V543 HydrophobicContact CD1-CG1 4.39Å; A530-V543 WeakPolarHBondContact O-CA 3.39Å; V531-V543 HydrophobicContact CG1-CG2 4.33Å; V531-V543 HydrophobicContact CG2-CG1 4.26Å; V543-F555 WeakPolarHBondContact O-CA 3.32Å; V543-M556 HydrophobicContact CB-CB 4.12Å; V543-M556 HydrophobicContact CG1-CB 4.07Å; V543-M556 HydrophobicContact CG1-CG 4.36Å; V543-M556 PolarHBondContact O-N 2.75Å; V543-M559 HydrophobicContact CG2-CG 4.36Å
544	E	97.5	Very high	91.2	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	138.1	173.9	-69.4	178.1	-110.4	0	0	109.7	N513 T514 R516 Y529 A530 W553 V554 F555	N513-E544 WeakPolarHBondContact CA-OE2 3.13Å; N513-E544 WeakPolarHBondContact CB-OE2 3.43Å; N513-E544 PolarHBondContact N-OE2 2.99Å; N513-E544 PolarHBondContact ND2-OE2 2.86Å; T514-E544 PolarHBondContact N-OE1 2.85Å; R516-E544 IonicContact CZ-OE1 3.4Å; R516-E544 IonicContact NE-OE1 3.86Å; R516-E544 PolarHBondContact NE-OE1 2.86Å; R516-E544 IonicContact NH2-OE1 2.78Å; R516-E544 PolarHBondContact NH2-OE1 2.81Å; Y529-E544 CarbonylContact C-O 3.56Å; Y529-E544 WeakPolarHBondContact CA-O 3.44Å; A530-E544 HydrophobicContact CB-CB 4.5Å; A530-E544 PolarHBondContact N-O 3.31Å; A530-E544 PolarHBondContact O-N 3.26Å; E544-W553 HydrophobicContact CB-CB 4.46Å; E544-W553 HydrophobicContact CB-CE3 3.67Å; E544-W553 HydrophobicContact CB-CZ3 4.32Å; E544-W553 WeakPolarHBondContact O-CZ3 3.37Å; E544-W553 WeakPolarHBondContact OE2-CB 3.35Å; E544-V554 CarbonylContact C-O 3.49Å; E544-V554 WeakPolarHBondContact CA-O 3.37Å; E544-F555 HydrophobicContact CG-CD1 3.59Å; E544-F555 HydrophobicContact CG-CE1 3.53Å; E544-F555 HydrophobicContact CG-CG 4.44Å; E544-F555 HydrophobicContact CG-CZ 4.34Å
545	M	96.4	Very high	91.3	Very high	11 Å²	11	56.5 Å²	56.5	5%	0.054	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	129.8	175.6	173.3	-160.4	62.2	0	0	108.8	R527 L528 Y529 N547 W553 V554 M556	R527-M545 HydrophobicContact CB-CG 4.21Å; R527-M545 HydrophobicContact CG-SD 4.42Å; R527-M545 PolarHBondContact NH1-SD 3.21Å; L528-M545 CarbonylContact O-C 3.46Å; L528-M545 VanDerWaalsContact O-CA 3.31Å; L528-M545 WeakPolarHBondContact O-CA 3.41Å; Y529-M545 HydrophobicContact CD1-CB 3.76Å; Y529-M545 HydrophobicContact CD1-CG 4.03Å; Y529-M545 HydrophobicContact CE1-CB 3.69Å; Y529-M545 HydrophobicContact CE1-CG 3.59Å; Y529-M545 HydrophobicContact CE1-SD 3.89Å; Y529-M545 HydrophobicContact CE2-CG 4.34Å; M545-N547 PolarHBondContact O-N 2.84Å; M545-W553 CarbonylContact O-C 3.52Å; M545-W553 WeakPolarHBondContact O-CA 3.43Å; M545-V554 HydrophobicContact CE-CB 4.38Å; M545-V554 PolarHBondContact N-O 2.78Å; M545-V554 PolarHBondContact O-N 2.91Å; M545-M556 HydrophobicContact CB-CG 3.62Å; M545-M556 HydrophobicContact CB-SD 3.8Å; M545-M556 HydrophobicContact CE-CE 4.39Å; M545-M556 HydrophobicContact CE-SD 3.6Å; M545-M556 HydrophobicContact SD-CE 4.21Å; M545-M556 HydrophobicContact SD-SD 3.91Å
546	L	94.8	Very high	91.3	Very high	13 Å²	13	56.2 Å²	56.2	7%	0.068	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	113.9	170.4	-179.1	66	0	0	0	108.7	L509 V510 L528 P548 W553	L509-L546 HydrophobicContact CD2-CD2 3.63Å; V510-L546 HydrophobicContact CG1-CD1 3.78Å; L528-L546 HydrophobicContact CB-CB 4.12Å; L528-L546 HydrophobicContact CD2-CD2 4.48Å; L528-L546 PolarHBondContact O-N 2.94Å; L546-P548 WeakPolarHBondContact O-CD 3.23Å; L546-W553 HydrophobicContact CB-CD2 4.1Å; L546-W553 HydrophobicContact CB-CE3 4.06Å; L546-W553 HydrophobicContact CB-CH2 4.1Å; L546-W553 HydrophobicContact CB-CZ2 4.09Å; L546-W553 HydrophobicContact CB-CZ3 4.08Å; L546-W553 HydrophobicContact CD1-CD2 4.35Å; L546-W553 HydrophobicContact CD1-CG 4.39Å
547	N	82.1	Confident	91.4	Very high	31 Å²	31	56 Å²	56	17%	0.166	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	113.5	170.8	179	-26.9	0	0	0	108.6	M545 D549 T550 N551 R552 V554	M545-N547 PolarHBondContact O-N 2.84Å; N547-D549 VanDerWaalsContact C-N 3.31Å; N547-D549 PolarHBondContact O-N 3.21Å; N547-D549 WeakPolarHBondContact OD1-CB 3.42Å; N547-D549 PolarHBondContact OD1-N 2.83Å; N547-T550 WeakPolarHBondContact CB-OG1 3.43Å; N547-T550 VanDerWaalsContact CG-OG1 3.27Å; N547-T550 PolarHBondContact OD1-N 2.82Å; N547-N551 WeakPolarHBondContact O-CA 3.36Å; N547-N551 PolarHBondContact O-N 2.86Å; N547-R552 PolarHBondContact N-O 2.89Å; N547-R552 PolarHBondContact O-N 3.03Å; N547-V554 HydrophobicContact CB-CG2 4.2Å
548	P	74	Confident	91.5	Very high	76 Å²	76	51.2 Å²	51.2	49%	0.494	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-31.8	-177.5	27.1	-33.8	0	0	0	112.8	L546 T550	L546-P548 WeakPolarHBondContact O-CD 3.23Å; P548-T550 VanDerWaalsContact C-N 3.35Å; P548-T550 PolarHBondContact O-N 2.84Å
549	D	73.8	Confident	91.7	Very high	136 Å²	136	48.6 Å²	48.6	73%	0.727	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-34.2	-176.3	-51.8	-41.3	0	0	0	112	N547	N547-D549 VanDerWaalsContact C-N 3.31Å; N547-D549 PolarHBondContact O-N 3.21Å; N547-D549 WeakPolarHBondContact OD1-CB 3.42Å; N547-D549 PolarHBondContact OD1-N 2.83Å
550	T	81.9	Confident	91.5	Very high	78 Å²	78	50.4 Å²	50.4	48%	0.479	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-9.9	-178.5	59.4	0	0	0	0	113.2	N547 P548 R552	N547-T550 WeakPolarHBondContact CB-OG1 3.43Å; N547-T550 VanDerWaalsContact CG-OG1 3.27Å; N547-T550 PolarHBondContact OD1-N 2.82Å; P548-T550 VanDerWaalsContact C-N 3.35Å; P548-T550 PolarHBondContact O-N 2.84Å; T550-R552 PolarHBondContact O-N 3.1Å
551	N	87	Confident	90.9	Very high	80 Å²	80	50.6 Å²	50.6	43%	0.428	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.2	49.2	-169.7	-167.1	28.4	0	0	0	111.8	L509 V510 N547	L509-N551 WeakPolarHBondContact CD1-OD1 3.46Å; V510-N551 VanDerWaalsContact CG1-O 3.26Å; V510-N551 WeakPolarHBondContact CG1-O 3.33Å; N547-N551 WeakPolarHBondContact O-CA 3.36Å; N547-N551 PolarHBondContact O-N 2.86Å
552	R	93	Very high	90.3	Very high	164 Å²	164	48.6 Å²	48.6	62%	0.619	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.3	147.8	177.8	-67.5	-173.8	76.6	-177.5	2.6	110.9	N547 T550	N547-R552 PolarHBondContact N-O 2.89Å; N547-R552 PolarHBondContact O-N 3.03Å; T550-R552 PolarHBondContact O-N 3.1Å
553	W	97	Very high	89.6	Confident	8 Å²	8	51.3 Å²	51.3	3%	0.03	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	131.4	171.1	-68	90.2	0	0	0	110.1	V496 V510 M512 N513 L521 L528 A530 E544 M545 L546	V496-W553 HydrophobicContact CG2-CZ2 3.87Å; V510-W553 PolarHBondContact O-NE1 2.82Å; V510-W553 VanDerWaalsContact O-NE1 3.12Å; M512-W553 HydrophobicContact CB-CD2 4.47Å; M512-W553 HydrophobicContact CB-CG 4.46Å; M512-W553 HydrophobicContact CG-CD2 3.77Å; M512-W553 HydrophobicContact CG-CE3 4.21Å; M512-W553 HydrophobicContact CG-CG 4.22Å; M512-W553 HydrophobicContact CG-CH2 4.2Å; M512-W553 HydrophobicContact CG-CZ2 3.78Å; M512-W553 HydrophobicContact CG-CZ3 4.4Å; M512-W553 HydrophobicContact SD-CH2 4.41Å; M512-W553 HydrophobicContact SD-CZ2 4.46Å; N513-W553 VanDerWaalsContact ND2-CB 3.35Å; N513-W553 WeakPolarHBondContact ND2-CB 3.47Å; N513-W553 PolarHBondContact ND2-O 2.81Å; L521-W553 HydrophobicContact CD1-CH2 4.21Å; L528-W553 HydrophobicContact CD2-CH2 3.86Å; L528-W553 HydrophobicContact CD2-CZ2 4.21Å; L528-W553 HydrophobicContact CG-CH2 4.18Å; A530-W553 HydrophobicContact CB-CH2 4.11Å; A530-W553 HydrophobicContact CB-CZ3 3.73Å; E544-W553 HydrophobicContact CB-CB 4.46Å; E544-W553 HydrophobicContact CB-CE3 3.67Å; E544-W553 HydrophobicContact CB-CZ3 4.32Å; E544-W553 WeakPolarHBondContact O-CZ3 3.37Å; E544-W553 WeakPolarHBondContact OE2-CB 3.35Å; M545-W553 CarbonylContact O-C 3.52Å; M545-W553 WeakPolarHBondContact O-CA 3.43Å; L546-W553 HydrophobicContact CB-CD2 4.1Å; L546-W553 HydrophobicContact CB-CE3 4.06Å; L546-W553 HydrophobicContact CB-CH2 4.1Å; L546-W553 HydrophobicContact CB-CZ2 4.09Å; L546-W553 HydrophobicContact CB-CZ3 4.08Å; L546-W553 HydrophobicContact CD1-CD2 4.35Å; L546-W553 HydrophobicContact CD1-CG 4.39Å
554	V	96.4	Very high	88.9	Confident	62 Å²	62	51.3 Å²	51.3	38%	0.376	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	138.1	178.4	-176.9	0	0	0	0	108.6	E544 M545 N547	E544-V554 CarbonylContact C-O 3.49Å; E544-V554 WeakPolarHBondContact CA-O 3.37Å; M545-V554 HydrophobicContact CE-CB 4.38Å; M545-V554 PolarHBondContact N-O 2.78Å; M545-V554 PolarHBondContact O-N 2.91Å; N547-V554 HydrophobicContact CB-CG2 4.2Å
555	F	97	Very high	88.4	Confident	108 Å²	108	51.8 Å²	51.8	47%	0.474	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	131.6	175.2	-71.9	-71.3	0	0	0	111	N513 V543 E544	N513-F555 HydrophobicContact CB-CE2 3.86Å; N513-F555 HydrophobicContact CB-CZ 3.65Å; V543-F555 WeakPolarHBondContact O-CA 3.32Å; E544-F555 HydrophobicContact CG-CD1 3.59Å; E544-F555 HydrophobicContact CG-CE1 3.53Å; E544-F555 HydrophobicContact CG-CG 4.44Å; E544-F555 HydrophobicContact CG-CZ 4.34Å
556	M	96.1	Very high	88.3	Confident	30 Å²	30	51.5 Å²	51.5	15%	0.148	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	177.3	170.8	-53.9	-55.4	-69.9	0	0	109.6	F311 N316 Y529 V543 M545	F311-M556 HydrophobicContact CZ-CB 3.97Å; F311-M556 HydrophobicContact CZ-CE 4.18Å; N316-M556 HydrophobicContact CB-CE 4.49Å; N316-M556 WeakPolarHBondContact OD1-CE 3.31Å; Y529-M556 HydrophobicContact CD1-CG 4.48Å; Y529-M556 HydrophobicContact CE1-CG 4.32Å; V543-M556 HydrophobicContact CB-CB 4.12Å; V543-M556 HydrophobicContact CG1-CB 4.07Å; V543-M556 HydrophobicContact CG1-CG 4.36Å; V543-M556 PolarHBondContact O-N 2.75Å; M545-M556 HydrophobicContact CB-CG 3.62Å; M545-M556 HydrophobicContact CB-SD 3.8Å; M545-M556 HydrophobicContact CE-CE 4.39Å; M545-M556 HydrophobicContact CE-SD 3.6Å; M545-M556 HydrophobicContact SD-CE 4.21Å; M545-M556 HydrophobicContact SD-SD 3.91Å
557	A	93.5	Very high	88.4	Confident	20 Å²	20	51.1 Å²	51.1	17%	0.165	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-55.5	130.8	174.6	0	0	0	0	0	110.5	F311 N316 W318	F311-A557 HydrophobicContact CE2-CB 4.16Å; N316-A557 WeakPolarHBondContact O-CB 3.31Å; N316-A557 WeakPolarHBondContact OD1-CB 3.34Å; N316-A557 PolarHBondContact OD1-N 2.91Å; W318-A557 PolarHBondContact NE1-O 2.94Å
558	P	95.8	Very high	89.1	Confident	74 Å²	74	50.7 Å²	50.7	48%	0.481	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-70.2	152.4	177.6	31.1	-34.7	0	0	0	110.1	S541 A560	S541-P558 WeakPolarHBondContact O-CA 3.26Å; P558-A560 PolarHBondContact O-N 3.39Å
559	M	94.3	Very high	90.1	Very high	6 Å²	6	47.3 Å²	47.3	3%	0.03	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-56.8	138.6	169.9	-64.3	177.6	-64.4	0	0	109.6	A294 W318 V531 S541 V543 H562 V566	A294-M559 HydrophobicContact CB-SD 3.77Å; W318-M559 HydrophobicContact CD2-CB 4.47Å; W318-M559 HydrophobicContact CD2-CG 4.02Å; W318-M559 HydrophobicContact CE3-CG 4.24Å; W318-M559 HydrophobicContact CH2-CG 3.75Å; W318-M559 HydrophobicContact CH2-SD 4.22Å; W318-M559 HydrophobicContact CZ2-CG 3.49Å; W318-M559 VanDerWaalsContact CZ2-CG 3.49Å; W318-M559 HydrophobicContact CZ2-SD 4.42Å; W318-M559 HydrophobicContact CZ3-CG 4.12Å; V531-M559 HydrophobicContact CG1-CE 4.24Å; V531-M559 HydrophobicContact CG1-CG 4.49Å; V531-M559 HydrophobicContact CG1-SD 3.65Å; S541-M559 PolarHBondContact O-N 2.83Å; V543-M559 HydrophobicContact CG2-CG 4.36Å; M559-H562 HydrophobicContact CB-CB 3.94Å; M559-H562 HydrophobicContact CE-CB 3.81Å; M559-H562 HydrophobicContact CG-CB 4.39Å; M559-H562 HydrophobicContact SD-CB 3.67Å; M559-V566 HydrophobicContact CE-CG1 4.47Å; M559-V566 HydrophobicContact CE-CG2 4.38Å; M559-V566 HydrophobicContact SD-CG1 4.23Å; M559-V566 HydrophobicContact SD-CG2 4.03Å
560	A	87.4	Confident	91	Very high	78 Å²	78	42 Å²	42	65%	0.645	24%	0.235	S	C	*	.	S	Bend	trans	-86.8	-25.4	-173.4	0	0	0	0	0	112.9	E309 P558	E309-A560 WeakPolarHBondContact OE1-CB 3.31Å; E309-A560 PolarHBondContact OE2-N 3.19Å; P558-A560 PolarHBondContact O-N 3.39Å
561	S	81.3	Confident	91.4	Very high	20 Å²	20	39.1 Å²	39.1	14%	0.14	22%	0.218	C	C	.	.	S	Bend	trans	-130.8	-6.4	-171.9	-42.6	0	0	0	0	114	E309 R320	E309-S561 VanDerWaalsContact CD-N 3.3Å; E309-S561 WeakPolarHBondContact OE1-CB 3.14Å; E309-S561 PolarHBondContact OE1-N 2.8Å; E309-S561 PolarHBondContact OE1-OG 3.17Å; E309-S561 WeakPolarHBondContact OE2-CA 3.47Å; E309-S561 WeakPolarHBondContact OE2-CB 3.38Å; E309-S561 PolarHBondContact OE2-N 2.95Å; R320-S561 VanDerWaalsContact CZ-OG 3.26Å; R320-S561 PolarHBondContact NE-OG 3.18Å; R320-S561 PolarHBondContact NH2-OG 3.19Å
562	H	83.4	Confident	91.1	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.009	22%	0.223	C	C	.	.			trans	-102.7	141.4	173.9	-68.4	93.6	0	0	0	111.3	A294 G296 L307 E309 S541 M559 V566	A294-H562 PolarHBondContact O-CE1 2.85Å; G296-H562 PolarHBondContact O-CD2 3.17Å; G296-H562 PolarHBondContact O-NE2 3.39Å; G296-H562 VanDerWaalsContact O-NE2 3.12Å; L307-H562 PolarHBondContact O-NE2 3.1Å; E309-H562 IonicContact OE2-CE1 3.91Å; E309-H562 IonicContact OE2-CG 3.67Å; E309-H562 PolarHBondContact OE2-N 3.27Å; E309-H562 IonicContact OE2-ND1 2.91Å; E309-H562 PolarHBondContact OE2-ND1 3.07Å; S541-H562 WeakPolarHBondContact CB-O 3.2Å; M559-H562 HydrophobicContact CB-CB 3.94Å; M559-H562 HydrophobicContact CE-CB 3.81Å; M559-H562 HydrophobicContact CG-CB 4.39Å; M559-H562 HydrophobicContact SD-CB 3.67Å; H562-V566 HydrophobicContact CB-CG1 3.8Å; H562-V566 WeakPolarHBondContact CD2-CG1 3.46Å
563	E	80.7	Confident	90	Very high	80 Å²	80	36.3 Å²	36.3	37%	0.374	21%	0.214	S	C	.	.			trans	-108.7	-10	176.4	-63.4	-176.5	154.2	0	0	112.1	S300 N539 L540	S300-E563 VanDerWaalsContact CA-OE2 3.25Å; S300-E563 WeakPolarHBondContact CA-OE2 3.13Å; S300-E563 WeakPolarHBondContact CB-OE2 3.42Å; S300-E563 PolarHBondContact N-OE2 2.76Å; S300-E563 PolarHBondContact OG-OE2 3Å; N539-E563 CarbonylContact C-O 3.57Å; N539-E563 VanDerWaalsContact CA-O 3.31Å; N539-E563 WeakPolarHBondContact CA-O 2.86Å; N539-E563 HydrophobicContact CB-CB 4.29Å; N539-E563 WeakPolarHBondContact CB-O 3.31Å; L540-E563 CarbonylContact C-O 3.56Å; L540-E563 WeakPolarHBondContact CA-O 3.47Å; L540-E563 PolarHBondContact N-O 3.02Å; L540-E563 CarbonylContact O-C 3.53Å
564	G	84.4	Confident	88	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	149.6	176.3	166.8	0	0	0	0	0	114.6	L298 L540 V566	L298-G564 PolarHBondContact N-O 2.71Å; L540-G564 WeakPolarHBondContact O-CA 3.4Å; G564-V566 VanDerWaalsContact C-N 3.25Å; G564-V566 PolarHBondContact O-N 2.75Å
565	G	85.3	Confident	85.3	Confident	10 Å²	10	41.1 Å²	41.1	10%	0.103	24%	0.237	C	C	.	.			trans	65	26.8	177.8	0	0	0	0	0	114.7	G297	G297-G565 WeakPolarHBondContact CA-O 3.46Å
566	V	95.4	Very high	82.1	Confident	5 Å²	5	44.3 Å²	44.3	3%	0.03	28%	0.284	C	S	.	.			trans	-73.7	149	179.7	-62.3	0	0	0	0	111.3	A294 S520 V531 M559 H562 G564 V568	A294-V566 HydrophobicContact CB-CB 4.23Å; A294-V566 HydrophobicContact CB-CG1 4.36Å; A294-V566 HydrophobicContact CB-CG2 4.1Å; S520-V566 PolarHBondContact OG-O 2.74Å; V531-V566 HydrophobicContact CG1-CG2 3.99Å; M559-V566 HydrophobicContact CE-CG1 4.47Å; M559-V566 HydrophobicContact CE-CG2 4.38Å; M559-V566 HydrophobicContact SD-CG1 4.23Å; M559-V566 HydrophobicContact SD-CG2 4.03Å; H562-V566 HydrophobicContact CB-CG1 3.8Å; H562-V566 WeakPolarHBondContact CD2-CG1 3.46Å; G564-V566 VanDerWaalsContact C-N 3.25Å; G564-V566 PolarHBondContact O-N 2.75Å; V566-V568 HydrophobicContact CG2-CG2 3.97Å
567	G	96.6	Very high	81.4	Confident	6 Å²	6	45 Å²	45	6%	0.062	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	150.4	159.4	0	0	0	0	0	109.7	V295	V295-G567 PolarHBondContact N-O 3.2Å; V295-G567 PolarHBondContact O-N 3.34Å
568	V	96.9	Very high	80.8	Confident	21 Å²	21	46.3 Å²	46.3	13%	0.127	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	137.3	-178.8	174.1	0	0	0	0	111.7	I292 Y293 V522 V531 V566	I292-V568 HydrophobicContact CG2-CG1 3.47Å; I292-V568 VanDerWaalsContact CG2-CG1 3.47Å; Y293-V568 VanDerWaalsContact O-CA 3.25Å; Y293-V568 WeakPolarHBondContact O-CA 3.27Å; V522-V568 HydrophobicContact CB-CG1 3.83Å; V522-V568 HydrophobicContact CG1-CG1 3.73Å; V522-V568 HydrophobicContact CG2-CG1 4.21Å; V531-V568 HydrophobicContact CB-CG2 3.95Å; V531-V568 HydrophobicContact CG1-CG2 3.98Å; V531-V568 HydrophobicContact CG2-CG2 4.26Å; V566-V568 HydrophobicContact CG2-CG2 3.97Å
569	G	94.6	Very high	80	Confident	5 Å²	5	44.8 Å²	44.8	5%	0.052	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	150.6	169.3	0	0	0	0	0	110.7	Y293	Y293-G569 PolarHBondContact N-O 2.82Å; Y293-G569 PolarHBondContact O-N 3.14Å; Y293-G569 VanDerWaalsContact O-N 3.08Å
570	C	93.9	Very high	79.1	Confident	25 Å²	25	47.1 Å²	47.1	17%	0.169	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	122.9	174.4	-174.6	0	0	0	0	110.5	G290 L291 V335 V522 T524	G290-C570 VanDerWaalsContact CA-SG 3.59Å; L291-C570 CarbonylContact O-C 3.54Å; L291-C570 VanDerWaalsContact O-CA 3.31Å; L291-C570 WeakPolarHBondContact O-CA 3.42Å; V335-C570 WeakPolarHBondContact CG1-O 3.38Å; V522-C570 HydrophobicContact CG2-CB 3.72Å; T524-C570 VanDerWaalsContact CB-SG 3.56Å; T524-C570 PolarHBondContact OG1-SG 3.03Å
571	V	89.6	Confident	78.6	Confident	18 Å²	18	45.1 Å²	45.1	11%	0.109	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	115.5	174.5	-177	0	0	0	0	107.6	G290 L291 Y293 V335 P360 L573	G290-V571 CarbonylContact C-O 3.56Å; G290-V571 WeakPolarHBondContact CA-O 3.4Å; L291-V571 PolarHBondContact N-O 3.07Å; L291-V571 PolarHBondContact O-N 2.86Å; Y293-V571 HydrophobicContact CD2-CB 4.33Å; Y293-V571 HydrophobicContact CD2-CG2 3.76Å; Y293-V571 HydrophobicContact CE2-CB 3.84Å; Y293-V571 HydrophobicContact CE2-CG2 3.55Å; V335-V571 HydrophobicContact CG1-CB 4.49Å; V335-V571 HydrophobicContact CG1-CG2 3.85Å; V335-V571 HydrophobicContact CG2-CG2 4.06Å; P360-V571 HydrophobicContact CG-CG2 4.43Å; V571-L573 PolarHBondContact O-N 2.98Å
572	L	80.9	Confident	78.4	Confident	105 Å²	105	46.8 Å²	46.8	55%	0.55	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	131.6	177.7	-64.1	177.2	0	0	0	110.1	Q574	L572-Q574 PolarHBondContact O-N 2.59Å
573	L	69.4	Low	78.1	Confident	80 Å²	80	50 Å²	50	42%	0.419	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-65.6	117.3	171.5	-69.6	173.5	0	0	0	108.2	V288 S289 L291 V571	V288-L573 HydrophobicContact CG1-CB 4.49Å; V288-L573 WeakPolarHBondContact CG1-O 2.99Å; S289-L573 VanDerWaalsContact O-CB 3.26Å; S289-L573 WeakPolarHBondContact O-CB 3.5Å; S289-L573 WeakPolarHBondContact O-CD1 3.36Å; S289-L573 WeakPolarHBondContact O-CG 3.25Å; S289-L573 PolarHBondContact O-N 2.82Å; L291-L573 HydrophobicContact CD1-CD2 3.78Å; L291-L573 HydrophobicContact CD2-CD1 4.39Å; L291-L573 HydrophobicContact CD2-CD2 4.29Å; L291-L573 HydrophobicContact CG-CD2 3.71Å; L291-L573 HydrophobicContact CG-CG 4.1Å; V571-L573 PolarHBondContact O-N 2.98Å
574	Q	54.4	Low	77.9	Confident	114 Å²	114	47.7 Å²	47.7	53%	0.533	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-73.2	141.7	170.5	-63.4	-168.8	10.1	0	0	108.7	L572 A576	L572-Q574 PolarHBondContact O-N 2.59Å; Q574-A576 PolarHBondContact O-N 3.4Å
575	P	40.4	Very low	77.3	Confident	56 Å²	56	51.7 Å²	51.7	36%	0.364	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-58.7	132.8	163.9	24.5	-29.7	0	0	0	108.3
576	A	30.5	Very low	76.6	Confident	175 Å²	175	55.5 Å²	55.5	100%	1.446	35%	0.351	S	S	*	.			trans	-60.8	0	178.7	0	0	0	0	0	112.1	Q574	Q574-A576 PolarHBondContact O-N 3.4Å

Retrieved 576 of 576 residues in 220.5 ms (Link to these results)

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