A0A077Z6D5_TRITR Loading...

Chorein N domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z6D5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 686 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	58.9	Low	68.5	Low	204 Å²	204	80.3 Å²	80.3	100%	1.005	40%	0.399	S	S	*	.				0	-51.3	0	-159.4	179.8	-87.4	0	0	113.1	S4 F5	M1-S4 WeakPolarHBondContact CA-OG 3.39Å; M1-S4 PolarHBondContact O-OG 3.44Å; M1-F5 PolarHBondContact O-N 2.96Å; M1-F5 VanDerWaalsContact O-N 3.08Å
2	F	66.3	Low	69	Low	116 Å²	116	87.1 Å²	87.1	51%	0.509	42%	0.417	S	S	.	.	H	α-helix	trans	-65.9	-45.4	177.1	-173.7	-104.2	0	0	0	113.2	S4 F5 V6 L68	F2-S4 VanDerWaalsContact C-N 3.33Å; F2-S4 PolarHBondContact O-N 3.3Å; F2-F5 WeakPolarHBondContact O-CB 3.47Å; F2-F5 PolarHBondContact O-N 3.21Å; F2-F5 VanDerWaalsContact O-N 3.12Å; F2-V6 HydrophobicContact CD1-CG2 4.03Å; F2-V6 HydrophobicContact CD2-CG2 4.38Å; F2-V6 HydrophobicContact CE1-CG2 3.66Å; F2-V6 HydrophobicContact CE2-CG2 4.04Å; F2-V6 HydrophobicContact CG-CG2 4.39Å; F2-V6 HydrophobicContact CZ-CG2 3.66Å; F2-V6 WeakPolarHBondContact O-CG2 3.44Å; F2-V6 PolarHBondContact O-N 3.23Å; F2-L68 HydrophobicContact CZ-CD1 4.29Å
3	K	64.8	Low	69.2	Low	83 Å²	83	86.9 Å²	86.9	36%	0.361	43%	0.43	S	S	.	.	H	α-helix	trans	-52	-49	174.2	-177.4	154.9	177.2	169.6	0	112	F5 V6 V7 I25 R26 L28 I30	K3-F5 PolarHBondContact O-N 3.33Å; K3-V6 PolarHBondContact O-N 3.07Å; K3-V7 WeakPolarHBondContact O-CB 3.32Å; K3-V7 WeakPolarHBondContact O-CG2 3.44Å; K3-V7 PolarHBondContact O-N 3.38Å; K3-I25 WeakPolarHBondContact CE-O 3.33Å; K3-R26 PolarHBondContact NZ-O 3.49Å; K3-L28 PolarHBondContact NZ-O 3.18Å; K3-I30 HydrophobicContact CB-CD1 3.47Å; K3-I30 VanDerWaalsContact CB-CD1 3.47Å; K3-I30 HydrophobicContact CD-CD1 3.81Å; K3-I30 HydrophobicContact CD-CG1 4.42Å; K3-I30 HydrophobicContact CG-CD1 3.49Å; K3-I30 VanDerWaalsContact CG-CD1 3.49Å
4	S	67.4	Low	69.7	Low	80 Å²	80	83.1 Å²	83.1	56%	0.559	41%	0.412	S	S	*	.	H	α-helix	trans	-66.3	-36.4	178.9	52.6	0	0	0	0	112.9	M1 F2 G8	M1-S4 WeakPolarHBondContact CA-OG 3.39Å; M1-S4 PolarHBondContact O-OG 3.44Å; F2-S4 VanDerWaalsContact C-N 3.33Å; F2-S4 PolarHBondContact O-N 3.3Å; S4-G8 PolarHBondContact O-N 3.05Å
5	F	69.3	Low	70.1	Confident	119 Å²	119	78.7 Å²	78.7	52%	0.522	40%	0.397	S	S	.	.	H	α-helix	trans	-65.5	-47.4	175.5	177.5	-98.2	0	0	0	112.3	M1 F2 K3 G8 K9	M1-F5 PolarHBondContact O-N 2.96Å; M1-F5 VanDerWaalsContact O-N 3.08Å; F2-F5 WeakPolarHBondContact O-CB 3.47Å; F2-F5 PolarHBondContact O-N 3.21Å; F2-F5 VanDerWaalsContact O-N 3.12Å; K3-F5 PolarHBondContact O-N 3.33Å; F5-G8 PolarHBondContact O-N 3.18Å; F5-K9 HydrophobicContact CE1-CD 3.98Å; F5-K9 HydrophobicContact CE1-CG 4.47Å; F5-K9 HydrophobicContact CZ-CD 4Å; F5-K9 VanDerWaalsContact CZ-CE 3.48Å; F5-K9 HydrophobicContact CZ-CG 4.42Å; F5-K9 PolarHBondContact O-N 2.87Å
6	V	67.9	Low	70.5	Confident	12 Å²	12	80.8 Å²	80.8	7%	0.073	41%	0.405	C	S	.	.	H	α-helix	trans	-63.9	-47	179.2	175.5	0	0	0	0	110.3	F2 K3 G8 K9 L10 V35 L68	F2-V6 HydrophobicContact CD1-CG2 4.03Å; F2-V6 HydrophobicContact CD2-CG2 4.38Å; F2-V6 HydrophobicContact CE1-CG2 3.66Å; F2-V6 HydrophobicContact CE2-CG2 4.04Å; F2-V6 HydrophobicContact CG-CG2 4.39Å; F2-V6 HydrophobicContact CZ-CG2 3.66Å; F2-V6 WeakPolarHBondContact O-CG2 3.44Å; F2-V6 PolarHBondContact O-N 3.23Å; K3-V6 PolarHBondContact O-N 3.07Å; V6-G8 VanDerWaalsContact C-N 3.3Å; V6-G8 PolarHBondContact O-N 2.89Å; V6-K9 PolarHBondContact O-N 3.33Å; V6-L10 HydrophobicContact CG1-CD1 3.83Å; V6-L10 HydrophobicContact CG1-CG 4.29Å; V6-L10 WeakPolarHBondContact O-CB 3.32Å; V6-L10 VanDerWaalsContact O-CG 3.29Å; V6-L10 WeakPolarHBondContact O-CG 3.46Å; V6-L10 PolarHBondContact O-N 3.08Å; V6-V35 HydrophobicContact CG1-CG2 4.07Å; V6-L68 HydrophobicContact CG2-CD1 4.29Å
7	V	68.4	Low	71.2	Confident	21 Å²	21	78.9 Å²	78.9	13%	0.127	39%	0.394	C	S	.	.	H	α-helix	trans	-58.6	-42.3	174.9	171.2	0	0	0	0	111.5	K3 K9 L10 K11 I25 L28	K3-V7 WeakPolarHBondContact O-CB 3.32Å; K3-V7 WeakPolarHBondContact O-CG2 3.44Å; K3-V7 PolarHBondContact O-N 3.38Å; V7-K9 PolarHBondContact O-N 2.8Å; V7-L10 PolarHBondContact O-N 3.45Å; V7-K11 WeakPolarHBondContact O-CB 3.46Å; V7-K11 PolarHBondContact O-N 2.97Å; V7-I25 HydrophobicContact CG1-CD1 4.03Å; V7-I25 HydrophobicContact CG1-CG1 4.29Å; V7-I25 HydrophobicContact CG1-CG2 3.82Å; V7-I25 HydrophobicContact CG2-CG2 3.94Å; V7-L28 HydrophobicContact CG2-CD1 3.42Å; V7-L28 VanDerWaalsContact CG2-CD1 3.42Å
8	G	71.6	Confident	71.8	Confident	23 Å²	23	75.1 Å²	75.1	24%	0.237	37%	0.374	C	S	.	.	H	α-helix	trans	-61.8	-41.7	176.7	0	0	0	0	0	112.8	S4 F5 V6 R12	S4-G8 PolarHBondContact O-N 3.05Å; F5-G8 PolarHBondContact O-N 3.18Å; V6-G8 VanDerWaalsContact C-N 3.3Å; V6-G8 PolarHBondContact O-N 2.89Å; G8-R12 WeakPolarHBondContact O-CG 3.42Å; G8-R12 PolarHBondContact O-N 3.34Å
9	K	73.3	Confident	72.1	Confident	115 Å²	115	75.6 Å²	75.6	50%	0.5	38%	0.379	S	S	.	.	H	α-helix	trans	-67.8	-40.9	173.6	-84.8	-161.1	171.5	-174.9	0	112.3	F5 V6 V7 R12 S13	F5-K9 HydrophobicContact CE1-CD 3.98Å; F5-K9 HydrophobicContact CE1-CG 4.47Å; F5-K9 HydrophobicContact CZ-CD 4Å; F5-K9 VanDerWaalsContact CZ-CE 3.48Å; F5-K9 HydrophobicContact CZ-CG 4.42Å; F5-K9 PolarHBondContact O-N 2.87Å; V6-K9 PolarHBondContact O-N 3.33Å; V7-K9 PolarHBondContact O-N 2.8Å; K9-R12 PolarHBondContact O-N 3.22Å; K9-S13 WeakPolarHBondContact O-CB 3.34Å; K9-S13 PolarHBondContact O-N 3.27Å; K9-S13 PolarHBondContact O-OG 3.37Å
10	L	70.4	Confident	72.2	Confident	20 Å²	20	73.2 Å²	73.2	11%	0.105	37%	0.367	C	S	.	.	H	α-helix	trans	-64	-47.5	178	-70.9	171.8	0	0	0	111.9	V6 V7 R12 S13 L14 V35 I66	V6-L10 HydrophobicContact CG1-CD1 3.83Å; V6-L10 HydrophobicContact CG1-CG 4.29Å; V6-L10 WeakPolarHBondContact O-CB 3.32Å; V6-L10 VanDerWaalsContact O-CG 3.29Å; V6-L10 WeakPolarHBondContact O-CG 3.46Å; V6-L10 PolarHBondContact O-N 3.08Å; V7-L10 PolarHBondContact O-N 3.45Å; L10-R12 PolarHBondContact O-N 3.28Å; L10-S13 PolarHBondContact O-N 2.91Å; L10-L14 HydrophobicContact CD2-CD1 4.04Å; L10-L14 WeakPolarHBondContact O-CB 3.16Å; L10-L14 PolarHBondContact O-N 3.28Å; L10-V35 HydrophobicContact CD1-CG1 3.95Å; L10-I66 HydrophobicContact CD1-CD1 4.43Å; L10-I66 HydrophobicContact CD2-CD1 3.2Å; L10-I66 HydrophobicContact CG-CD1 4.44Å
11	K	75.1	Confident	72.3	Confident	90 Å²	90	72.3 Å²	72.3	39%	0.391	37%	0.367	S	S	.	.	H	α-helix	trans	-57.9	-37.2	174.2	-80.3	-169.4	172.2	178.5	0	111.8	V7 G15 D22 I25	V7-K11 WeakPolarHBondContact O-CB 3.46Å; V7-K11 PolarHBondContact O-N 2.97Å; K11-G15 WeakPolarHBondContact O-CA 3.46Å; K11-G15 PolarHBondContact O-N 3.31Å; K11-D22 IonicContact NZ-OD1 2.86Å; K11-D22 PolarHBondContact NZ-OD1 3.15Å; K11-I25 HydrophobicContact CD-CD1 4.39Å; K11-I25 VanDerWaalsContact NZ-CD1 3.27Å
12	R	74.3	Confident	72.9	Confident	162 Å²	162	67.3 Å²	67.3	61%	0.611	35%	0.345	S	S	*	.	H	α-helix	trans	-71.6	-45.1	176.5	-75.3	-176.9	-132.7	171.9	-2.7	113.2	G8 K9 L10 F132	G8-R12 WeakPolarHBondContact O-CG 3.42Å; G8-R12 PolarHBondContact O-N 3.34Å; K9-R12 PolarHBondContact O-N 3.22Å; L10-R12 PolarHBondContact O-N 3.28Å; R12-F132 VanDerWaalsContact NH1-CE1 3.29Å; R12-F132 VanDerWaalsContact NH1-CZ 3.25Å
13	S	72	Confident	73	Confident	85 Å²	85	66.3 Å²	66.3	59%	0.594	35%	0.345	S	S	*	.	H	α-helix	trans	-80.5	-37.6	-173.7	-61.5	0	0	0	0	113.4	K9 L10	K9-S13 WeakPolarHBondContact O-CB 3.34Å; K9-S13 PolarHBondContact O-N 3.27Å; K9-S13 PolarHBondContact O-OG 3.37Å; L10-S13 PolarHBondContact O-N 2.91Å
14	L	75.7	Confident	73.1	Confident	33 Å²	33	63.9 Å²	63.9	17%	0.173	34%	0.335	C	S	.	.	H	α-helix	trans	-104.9	-12.4	-176.4	-64.9	175.5	0	0	0	113	L10 E16 F17 I18 I66	L10-L14 HydrophobicContact CD2-CD1 4.04Å; L10-L14 WeakPolarHBondContact O-CB 3.16Å; L10-L14 PolarHBondContact O-N 3.28Å; L14-E16 PolarHBondContact O-N 2.97Å; L14-E16 VanDerWaalsContact O-N 3.11Å; L14-F17 PolarHBondContact O-N 3.46Å; L14-I18 HydrophobicContact CB-CD1 4.4Å; L14-I18 PolarHBondContact O-N 3.49Å; L14-I66 HydrophobicContact CD1-CD1 4.35Å
15	G	75.4	Confident	73.1	Confident	18 Å²	18	61.3 Å²	61.3	19%	0.186	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-16.5	-177.5	0	0	0	0	0	114.1	K11 F17 K43	K11-G15 WeakPolarHBondContact O-CA 3.46Å; K11-G15 PolarHBondContact O-N 3.31Å; G15-F17 VanDerWaalsContact C-N 3.33Å; G15-K43 WeakPolarHBondContact O-CE 3.49Å; G15-K43 PolarHBondContact O-NZ 3.3Å
16	E	76.9	Confident	72.7	Confident	112 Å²	112	64.4 Å²	64.4	52%	0.523	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-30.6	171.3	-66.6	-174.1	164	0	0	112.4	L14 R49	L14-E16 PolarHBondContact O-N 2.97Å; L14-E16 VanDerWaalsContact O-N 3.11Å; E16-R49 IonicContact OE2-NH1 2.97Å
17	F	82.4	Confident	72.4	Confident	49 Å²	49	70.5 Å²	70.5	22%	0.215	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-30.5	-170.8	-55.9	-78.1	0	0	0	112.9	L14 G15 K43 A46	L14-F17 PolarHBondContact O-N 3.46Å; G15-F17 VanDerWaalsContact C-N 3.33Å; F17-K43 PolarHBondContact O-N 3.23Å; F17-A46 HydrophobicContact CB-CB 4.4Å; F17-A46 HydrophobicContact CD1-CB 4.4Å; F17-A46 WeakPolarHBondContact CD1-O 3.11Å; F17-A46 WeakPolarHBondContact CE1-O 3.39Å; F17-A46 WeakPolarHBondContact O-CB 3.34Å
18	I	82.4	Confident	72.2	Confident	9 Å²	9	69.9 Å²	69.9	5%	0.046	35%	0.35	C	S	.	.	B	Isolated β-bridge	trans	-127.3	142.6	-164.9	-74.5	164.7	0	0	0	110.5	L14 I20 V40 L42 K43 I64	L14-I18 HydrophobicContact CB-CD1 4.4Å; L14-I18 PolarHBondContact O-N 3.49Å; I18-I20 HydrophobicContact CG2-CG1 3.63Å; I18-V40 HydrophobicContact CB-CG1 4.08Å; I18-V40 HydrophobicContact CD1-CG1 4.03Å; I18-V40 HydrophobicContact CG1-CG1 3.97Å; I18-V40 HydrophobicContact CG2-CG1 3.01Å; I18-L42 HydrophobicContact CG1-CD2 3.97Å; I18-K43 WeakPolarHBondContact O-CE 3.19Å; I18-I64 HydrophobicContact CD1-CD1 3.53Å
19	N	77	Confident	71.6	Confident	85 Å²	85	74.7 Å²	74.7	46%	0.455	37%	0.366	S	S	.	.			trans	-92.6	98.6	164.9	-81.6	-25.4	0	0	0	109.7	P41 K43	N19-P41 HydrophobicContact CB-CG 4.16Å; N19-P41 PolarHBondContact N-O 2.93Å; N19-P41 VanDerWaalsContact N-O 3.11Å; N19-K43 WeakPolarHBondContact OD1-CE 3.49Å; N19-K43 WeakPolarHBondContact OD1-CG 3.37Å
20	I	75.6	Confident	71.3	Confident	28 Å²	28	71.8 Å²	71.8	14%	0.144	36%	0.356	C	S	.	.			trans	-84.9	111.4	173.2	-50.3	178.7	0	0	0	107.8	I18 Q24 I25 L37	I18-I20 HydrophobicContact CG2-CG1 3.63Å; I20-Q24 HydrophobicContact CG2-CB 4.45Å; I20-I25 HydrophobicContact CG2-CD1 3.98Å; I20-I25 HydrophobicContact CG2-CG1 3.66Å; I20-L37 HydrophobicContact CD1-CD1 4.47Å; I20-L37 HydrophobicContact CG2-CD2 4.42Å
21	S	73	Confident	70.9	Confident	54 Å²	54	75.7 Å²	75.7	38%	0.378	38%	0.376	S	S	.	.			trans	-72	152.3	176	67.1	0	0	0	0	111.1	D23 Q24 I25	S21-D23 PolarHBondContact O-N 3.4Å; S21-Q24 PolarHBondContact O-N 2.83Å; S21-Q24 WeakPolarHBondContact OG-CG 3.11Å; S21-Q24 PolarHBondContact OG-N 2.8Å; S21-I25 WeakPolarHBondContact O-CG1 3.43Å; S21-I25 PolarHBondContact O-N 3.12Å
22	D	71	Confident	70.3	Confident	100 Å²	100	81 Å²	81	54%	0.535	40%	0.398	S	S	.	.	H	α-helix	trans	-65.9	-24.2	178.3	-70	-34.8	0	0	0	112.3	K11 I25 R26	K11-D22 IonicContact NZ-OD1 2.86Å; K11-D22 PolarHBondContact NZ-OD1 3.15Å; D22-I25 WeakPolarHBondContact O-CB 3.39Å; D22-I25 PolarHBondContact O-N 2.95Å; D22-R26 WeakPolarHBondContact O-CG 3.48Å; D22-R26 PolarHBondContact O-N 3.2Å
23	D	68.3	Low	69.9	Low	95 Å²	95	74.2 Å²	74.2	51%	0.508	38%	0.378	S	S	.	.	H	α-helix	trans	-71.3	-38.4	174.2	-63.5	-36.8	0	0	0	112.5	S21 I25 R26 L27	S21-D23 PolarHBondContact O-N 3.4Å; D23-I25 PolarHBondContact O-N 2.67Å; D23-R26 WeakPolarHBondContact O-CB 3.27Å; D23-R26 PolarHBondContact O-N 3.02Å; D23-R26 IonicContact OD1-CZ 3.66Å; D23-R26 IonicContact OD1-NH1 3.77Å; D23-R26 PolarHBondContact OD1-NH1 2.97Å; D23-L27 WeakPolarHBondContact O-CG 3.35Å; D23-L27 PolarHBondContact O-N 2.79Å; D23-L27 VanDerWaalsContact O-N 3.07Å
24	Q	67.7	Low	70.1	Confident	31 Å²	31	74.9 Å²	74.9	15%	0.145	37%	0.37	C	S	.	.	H	α-helix	trans	-60.7	-36	171.2	-77.1	171.9	-18.6	0	0	111.2	I20 S21 L27 L28 L37 Q38 N39	I20-Q24 HydrophobicContact CG2-CB 4.45Å; S21-Q24 PolarHBondContact O-N 2.83Å; S21-Q24 WeakPolarHBondContact OG-CG 3.11Å; S21-Q24 PolarHBondContact OG-N 2.8Å; Q24-L27 PolarHBondContact O-N 3.18Å; Q24-L28 WeakPolarHBondContact O-CG 3.31Å; Q24-L28 PolarHBondContact O-N 3.29Å; Q24-L37 HydrophobicContact CB-CD2 4.31Å; Q24-Q38 PolarHBondContact NE2-O 3.02Å; Q24-N39 PolarHBondContact NE2-O 3.11Å
25	I	67.7	Low	70.2	Confident	26 Å²	26	73.5 Å²	73.5	13%	0.133	36%	0.363	C	S	.	.	H	α-helix	trans	-69.2	-36.1	177.8	-63.9	167.9	0	0	0	111.8	K3 V7 K11 I20 S21 D22 D23 L28	K3-I25 WeakPolarHBondContact CE-O 3.33Å; V7-I25 HydrophobicContact CG1-CD1 4.03Å; V7-I25 HydrophobicContact CG1-CG1 4.29Å; V7-I25 HydrophobicContact CG1-CG2 3.82Å; V7-I25 HydrophobicContact CG2-CG2 3.94Å; K11-I25 HydrophobicContact CD-CD1 4.39Å; K11-I25 VanDerWaalsContact NZ-CD1 3.27Å; I20-I25 HydrophobicContact CG2-CD1 3.98Å; I20-I25 HydrophobicContact CG2-CG1 3.66Å; S21-I25 WeakPolarHBondContact O-CG1 3.43Å; S21-I25 PolarHBondContact O-N 3.12Å; D22-I25 WeakPolarHBondContact O-CB 3.39Å; D22-I25 PolarHBondContact O-N 2.95Å; D23-I25 PolarHBondContact O-N 2.67Å; I25-L28 HydrophobicContact CB-CD1 4.33Å; I25-L28 HydrophobicContact CG1-CD1 4.48Å; I25-L28 HydrophobicContact CG2-CD1 4.17Å; I25-L28 VanDerWaalsContact O-CB 3.32Å; I25-L28 WeakPolarHBondContact O-CB 3.48Å; I25-L28 PolarHBondContact O-N 2.95Å
26	R	61.2	Low	70.4	Confident	184 Å²	184	74.3 Å²	74.3	69%	0.694	37%	0.365	S	S	*	.	H	α-helix	trans	-63.5	-47.4	175.5	-73.4	169.4	175.9	167.6	-6.7	110.3	K3 D22 D23 L28	K3-R26 PolarHBondContact NZ-O 3.49Å; D22-R26 WeakPolarHBondContact O-CG 3.48Å; D22-R26 PolarHBondContact O-N 3.2Å; D23-R26 WeakPolarHBondContact O-CB 3.27Å; D23-R26 PolarHBondContact O-N 3.02Å; D23-R26 IonicContact OD1-CZ 3.66Å; D23-R26 IonicContact OD1-NH1 3.77Å; D23-R26 PolarHBondContact OD1-NH1 2.97Å; R26-L28 PolarHBondContact O-N 3.18Å
27	L	60.7	Low	70.6	Confident	141 Å²	141	69.3 Å²	69.3	74%	0.738	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-1.6	179.4	-65.1	172.4	0	0	0	114.6	D23 Q24 E29	D23-L27 WeakPolarHBondContact O-CG 3.35Å; D23-L27 PolarHBondContact O-N 2.79Å; D23-L27 VanDerWaalsContact O-N 3.07Å; Q24-L27 PolarHBondContact O-N 3.18Å; L27-E29 PolarHBondContact O-N 2.86Å
28	L	63.8	Low	70.7	Confident	8 Å²	8	72.6 Å²	72.6	4%	0.042	36%	0.358	C	S	.	.			trans	-58.3	103.7	174.7	-78.4	174	0	0	0	111.4	K3 V7 Q24 I25 R26 I30 V35 S36 L37	K3-L28 PolarHBondContact NZ-O 3.18Å; V7-L28 HydrophobicContact CG2-CD1 3.42Å; V7-L28 VanDerWaalsContact CG2-CD1 3.42Å; Q24-L28 WeakPolarHBondContact O-CG 3.31Å; Q24-L28 PolarHBondContact O-N 3.29Å; I25-L28 HydrophobicContact CB-CD1 4.33Å; I25-L28 HydrophobicContact CG1-CD1 4.48Å; I25-L28 HydrophobicContact CG2-CD1 4.17Å; I25-L28 VanDerWaalsContact O-CB 3.32Å; I25-L28 WeakPolarHBondContact O-CB 3.48Å; I25-L28 PolarHBondContact O-N 2.95Å; R26-L28 PolarHBondContact O-N 3.18Å; L28-I30 PolarHBondContact O-N 2.85Å; L28-V35 HydrophobicContact CD2-CG1 3.66Å; L28-S36 WeakPolarHBondContact CD2-O 3.35Å; L28-L37 HydrophobicContact CD2-CD2 3.46Å; L28-L37 VanDerWaalsContact CD2-CD2 3.46Å; L28-L37 HydrophobicContact CD2-CG 4.07Å; L28-L37 HydrophobicContact CG-CD2 4.25Å
29	E	60.6	Low	70.7	Confident	123 Å²	123	77.4 Å²	77.4	58%	0.575	38%	0.384	S	S	*	.			trans	-74	107.8	165.6	-67.3	-174	177.2	0	0	108.3	L27 I31	L27-E29 PolarHBondContact O-N 2.86Å; E29-I31 HydrophobicContact CB-CD1 4.25Å; E29-I31 HydrophobicContact CB-CG1 4.31Å
30	I	65.7	Low	71.1	Confident	55 Å²	55	73.4 Å²	73.4	28%	0.282	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	91.5	169.2	-59.3	-176.8	0	0	0	106.5	K3 L28 V35	K3-I30 HydrophobicContact CB-CD1 3.47Å; K3-I30 VanDerWaalsContact CB-CD1 3.47Å; K3-I30 HydrophobicContact CD-CD1 3.81Å; K3-I30 HydrophobicContact CD-CG1 4.42Å; K3-I30 HydrophobicContact CG-CD1 3.49Å; K3-I30 VanDerWaalsContact CG-CD1 3.49Å; L28-I30 PolarHBondContact O-N 2.85Å; I30-V35 HydrophobicContact CG1-CG2 4.3Å
31	I	61.7	Low	71.6	Confident	101 Å²	101	74.7 Å²	74.7	52%	0.518	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	119.7	175.9	-58.6	172.3	0	0	0	107	E29 A33 K34	E29-I31 HydrophobicContact CB-CD1 4.25Å; E29-I31 HydrophobicContact CB-CG1 4.31Å; I31-A33 VanDerWaalsContact C-N 3.29Å; I31-A33 PolarHBondContact O-N 3.11Å; I31-A33 VanDerWaalsContact O-N 3.15Å; I31-K34 PolarHBondContact N-O 2.76Å; I31-K34 WeakPolarHBondContact O-CB 3.36Å; I31-K34 PolarHBondContact O-N 2.85Å
32	K	62.2	Low	72.3	Confident	201 Å²	201	73.7 Å²	73.7	87%	0.874	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.5	46.7	173.7	-61.1	180	178.9	-179.7	0	113.7	K34	K32-K34 PolarHBondContact O-N 2.8Å
33	A	67.4	Low	73.1	Confident	21 Å²	21	71.7 Å²	71.7	17%	0.174	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.8	16.1	179.1	0	0	0	0	0	115.8	I31 L68	I31-A33 VanDerWaalsContact C-N 3.29Å; I31-A33 PolarHBondContact O-N 3.11Å; I31-A33 VanDerWaalsContact O-N 3.15Å; A33-L68 HydrophobicContact CB-CB 4.17Å; A33-L68 WeakPolarHBondContact CB-O 3.5Å; A33-L68 WeakPolarHBondContact O-CB 3.29Å; A33-L68 PolarHBondContact O-N 2.74Å
34	K	75.8	Confident	74.1	Confident	98 Å²	98	75.6 Å²	75.6	43%	0.426	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	138	167.8	-167.2	171.9	-175.5	174	0	110.2	I31 K32 T65 I66	I31-K34 PolarHBondContact N-O 2.76Å; I31-K34 WeakPolarHBondContact O-CB 3.36Å; I31-K34 PolarHBondContact O-N 2.85Å; K32-K34 PolarHBondContact O-N 2.8Å; K34-T65 HydrophobicContact CD-CG2 4.11Å; K34-T65 HydrophobicContact CG-CG2 3.95Å; K34-I66 CarbonylContact C-O 3.5Å; K34-I66 WeakPolarHBondContact CA-O 3.41Å
35	V	78.4	Confident	74.8	Confident	4 Å²	4	76.9 Å²	76.9	2%	0.024	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	120.1	179.3	168.4	0	0	0	0	108.4	V6 L10 L28 I30 T65 I66	V6-V35 HydrophobicContact CG1-CG2 4.07Å; L10-V35 HydrophobicContact CD1-CG1 3.95Å; L28-V35 HydrophobicContact CD2-CG1 3.66Å; I30-V35 HydrophobicContact CG1-CG2 4.3Å; V35-T65 CarbonylContact O-C 3.5Å; V35-T65 WeakPolarHBondContact O-CA 3.42Å; V35-I66 HydrophobicContact CB-CB 4.34Å; V35-I66 PolarHBondContact N-O 3.44Å; V35-I66 PolarHBondContact O-N 3.49Å
36	S	79.1	Confident	75.7	Confident	35 Å²	35	76 Å²	76	25%	0.245	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	136.3	176.1	51.1	0	0	0	0	111.2	L28 I64	L28-S36 WeakPolarHBondContact CD2-O 3.35Å; S36-I64 CarbonylContact C-O 3.56Å; S36-I64 WeakPolarHBondContact CA-O 3.46Å
37	L	81.8	Confident	76.7	Confident	7 Å²	7	68.7 Å²	68.7	4%	0.037	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	137.8	169.3	-65.1	166.2	0	0	0	107.7	I20 Q24 L28 V40 Q63 I64	I20-L37 HydrophobicContact CD1-CD1 4.47Å; I20-L37 HydrophobicContact CG2-CD2 4.42Å; Q24-L37 HydrophobicContact CB-CD2 4.31Å; L28-L37 HydrophobicContact CD2-CD2 3.46Å; L28-L37 VanDerWaalsContact CD2-CD2 3.46Å; L28-L37 HydrophobicContact CD2-CG 4.07Å; L28-L37 HydrophobicContact CG-CD2 4.25Å; L37-V40 HydrophobicContact CB-CG2 3.56Å; L37-Q63 CarbonylContact O-C 3.53Å; L37-Q63 VanDerWaalsContact O-CA 3.31Å; L37-Q63 WeakPolarHBondContact O-CA 3.47Å; L37-I64 HydrophobicContact CB-CB 4.35Å; L37-I64 PolarHBondContact N-O 2.87Å; L37-I64 PolarHBondContact O-N 3.22Å
38	Q	83.7	Confident	77.5	Confident	119 Å²	119	65.8 Å²	65.8	56%	0.556	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.9	145.4	179	-69.7	-177.7	-8.8	0	0	111.3	Q24 R62 Q63	Q24-Q38 PolarHBondContact NE2-O 3.02Å; Q38-R62 CarbonylContact C-O 3.55Å; Q38-R62 VanDerWaalsContact CA-O 3.27Å; Q38-R62 WeakPolarHBondContact CA-O 3.46Å; Q38-Q63 HydrophobicContact CG-CG 4.49Å
39	N	83	Confident	77.9	Confident	110 Å²	110	73.8 Å²	73.8	59%	0.588	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	49.3	61.2	176.9	-62.1	-35.8	0	0	0	112.4	Q24 P41 V61 R62	Q24-N39 PolarHBondContact NE2-O 3.11Å; N39-P41 WeakPolarHBondContact O-CD 3.44Å; N39-V61 WeakPolarHBondContact CA-O 3.21Å; N39-R62 PolarHBondContact N-O 3.15Å
40	V	84	Confident	78.3	Confident	0 Å²	0	74.1 Å²	74.1	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	111.8	-171.4	178.8	0	0	0	0	109.7	I18 L37 S60 V61 I64	I18-V40 HydrophobicContact CB-CG1 4.08Å; I18-V40 HydrophobicContact CD1-CG1 4.03Å; I18-V40 HydrophobicContact CG1-CG1 3.97Å; I18-V40 HydrophobicContact CG2-CG1 3.01Å; L37-V40 HydrophobicContact CB-CG2 3.56Å; V40-S60 CarbonylContact O-C 3.54Å; V40-S60 WeakPolarHBondContact O-CA 3.27Å; V40-V61 HydrophobicContact CB-CB 4.42Å; V40-V61 PolarHBondContact N-O 3.28Å; V40-V61 PolarHBondContact O-N 3.17Å; V40-I64 HydrophobicContact CB-CD1 4.09Å; V40-I64 HydrophobicContact CG1-CD1 3.99Å; V40-I64 HydrophobicContact CG2-CD1 4.15Å
41	P	86.5	Confident	78.4	Confident	56 Å²	56	77 Å²	77	36%	0.364	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	138	-178.7	28.9	-33.2	0	0	0	111.6	N19 N39	N19-P41 HydrophobicContact CB-CG 4.16Å; N19-P41 PolarHBondContact N-O 2.93Å; N19-P41 VanDerWaalsContact N-O 3.11Å; N39-P41 WeakPolarHBondContact O-CD 3.44Å
42	L	87.7	Confident	78.8	Confident	32 Å²	32	75 Å²	75	17%	0.168	35%	0.348	C	S	.	.	B	Isolated β-bridge	trans	-78.7	144	173.7	-64.1	177.3	0	0	0	110.5	I18 V56 G59 V61 L86	I18-L42 HydrophobicContact CG1-CD2 3.97Å; L42-V56 HydrophobicContact CB-CG1 4.39Å; L42-G59 PolarHBondContact N-O 3.3Å; L42-V61 HydrophobicContact CD2-CG2 4.09Å; L42-L86 HydrophobicContact CD1-CD1 3.62Å
43	K	89.1	Confident	79.4	Confident	59 Å²	59	66 Å²	66	26%	0.257	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-70.1	144.9	172.3	-75.1	-177.5	166.4	-171.3	0	110.1	G15 F17 I18 N19 T45 A46	G15-K43 WeakPolarHBondContact O-CE 3.49Å; G15-K43 PolarHBondContact O-NZ 3.3Å; F17-K43 PolarHBondContact O-N 3.23Å; I18-K43 WeakPolarHBondContact O-CE 3.19Å; N19-K43 WeakPolarHBondContact OD1-CE 3.49Å; N19-K43 WeakPolarHBondContact OD1-CG 3.37Å; K43-T45 PolarHBondContact O-N 3.11Å; K43-T45 VanDerWaalsContact O-N 3.11Å; K43-A46 HydrophobicContact CB-CB 4.37Å; K43-A46 WeakPolarHBondContact O-CB 2.83Å; K43-A46 PolarHBondContact O-N 2.86Å
44	R	87.6	Confident	80.1	Confident	176 Å²	176	66.5 Å²	66.5	66%	0.664	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-34.6	170.5	-67.2	-166.9	172.2	-158.4	-2.1	112.6	L55 V56	R44-L55 WeakPolarHBondContact O-CD2 3.44Å; R44-V56 PolarHBondContact O-N 2.66Å
45	T	84	Confident	80.6	Confident	59 Å²	59	63 Å²	63	36%	0.362	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	10.4	-179.7	59.5	0	0	0	0	113.9	K43 L47 R48	K43-T45 PolarHBondContact O-N 3.11Å; K43-T45 VanDerWaalsContact O-N 3.11Å; T45-L47 PolarHBondContact O-N 2.97Å; T45-L47 VanDerWaalsContact O-N 3.12Å; T45-R48 WeakPolarHBondContact O-CB 3.36Å; T45-R48 PolarHBondContact O-N 3.48Å
46	A	85.3	Confident	81	Confident	7 Å²	7	63 Å²	63	6%	0.058	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-30.6	-174.3	0	0	0	0	0	113	F17 K43 V56	F17-A46 HydrophobicContact CB-CB 4.4Å; F17-A46 HydrophobicContact CD1-CB 4.4Å; F17-A46 WeakPolarHBondContact CD1-O 3.11Å; F17-A46 WeakPolarHBondContact CE1-O 3.39Å; F17-A46 WeakPolarHBondContact O-CB 3.34Å; K43-A46 HydrophobicContact CB-CB 4.37Å; K43-A46 WeakPolarHBondContact O-CB 2.83Å; K43-A46 PolarHBondContact O-N 2.86Å; A46-V56 HydrophobicContact CB-CG2 4.26Å
47	L	83.1	Confident	81.3	Confident	31 Å²	31	67.3 Å²	67.3	16%	0.162	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-1.1	-178.9	-60.1	177	0	0	0	114.3	T45 R49 F50 V54 V56 L86 V88	T45-L47 PolarHBondContact O-N 2.97Å; T45-L47 VanDerWaalsContact O-N 3.12Å; L47-R49 PolarHBondContact O-N 2.63Å; L47-R49 VanDerWaalsContact O-N 3.15Å; L47-F50 HydrophobicContact CB-CD2 4.36Å; L47-F50 HydrophobicContact CD2-CD2 3.97Å; L47-F50 HydrophobicContact CD2-CE2 4Å; L47-F50 WeakPolarHBondContact O-CB 3.44Å; L47-F50 PolarHBondContact O-N 2.83Å; L47-V54 HydrophobicContact CB-CG2 4.27Å; L47-V54 HydrophobicContact CD1-CG2 3.82Å; L47-V56 HydrophobicContact CD1-CG2 3.92Å; L47-V56 HydrophobicContact CG-CG2 3.88Å; L47-L86 HydrophobicContact CD1-CD2 4.25Å; L47-L86 HydrophobicContact CD2-CD2 4.47Å; L47-V88 HydrophobicContact CD1-CG1 3.34Å
48	R	77.7	Confident	81.4	Confident	79 Å²	79	69.2 Å²	69.2	30%	0.298	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-59.1	-32.6	-175.3	-173.5	176.7	-107.7	-166.3	-2.4	112.9	T45 F50 K51 E94 W97	T45-R48 WeakPolarHBondContact O-CB 3.36Å; T45-R48 PolarHBondContact O-N 3.48Å; R48-F50 PolarHBondContact O-N 2.88Å; R48-K51 PolarHBondContact O-N 3.17Å; R48-E94 IonicContact CZ-OE1 2.91Å; R48-E94 IonicContact CZ-OE2 3.92Å; R48-E94 IonicContact NE-OE1 2.69Å; R48-E94 PolarHBondContact NE-OE1 2.69Å; R48-E94 IonicContact NE-OE2 2.97Å; R48-E94 PolarHBondContact NE-OE2 3.19Å; R48-E94 VanDerWaalsContact NE-OE2 3.08Å; R48-E94 IonicContact NH2-OE1 3.35Å; R48-E94 PolarHBondContact NH2-OE1 3.24Å; R48-E94 IonicContact NH2-OE2 2.96Å; R48-W97 VanDerWaalsContact CD-CH2 3.45Å; R48-W97 HydrophobicContact CG-CE3 4Å; R48-W97 HydrophobicContact CG-CH2 3.28Å; R48-W97 HydrophobicContact CG-CZ2 3.95Å; R48-W97 HydrophobicContact CG-CZ3 3.31Å; R48-W97 VanDerWaalsContact NH2-CD2 3.27Å
49	R	71.3	Confident	81.5	Confident	176 Å²	176	64.3 Å²	64.3	66%	0.664	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-61.1	-28.4	177.3	-175.8	173.4	174.9	163.7	-6.5	113.1	E16 L47 K51	E16-R49 IonicContact OE2-NH1 2.97Å; L47-R49 PolarHBondContact O-N 2.63Å; L47-R49 VanDerWaalsContact O-N 3.15Å; R49-K51 PolarHBondContact O-N 2.78Å
50	F	70.2	Confident	81.6	Confident	130 Å²	130	61.2 Å²	61.2	57%	0.57	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-79.1	-3.9	177.7	-59.7	-74.5	0	0	0	113.1	L47 R48 L52	L47-F50 HydrophobicContact CB-CD2 4.36Å; L47-F50 HydrophobicContact CD2-CD2 3.97Å; L47-F50 HydrophobicContact CD2-CE2 4Å; L47-F50 WeakPolarHBondContact O-CB 3.44Å; L47-F50 PolarHBondContact O-N 2.83Å; R48-F50 PolarHBondContact O-N 2.88Å; F50-L52 VanDerWaalsContact C-N 3.26Å; F50-L52 HydrophobicContact CB-CD1 3.85Å; F50-L52 HydrophobicContact CB-CG 3.91Å; F50-L52 PolarHBondContact O-N 3.02Å
51	K	67.2	Low	81.7	Confident	116 Å²	116	61.4 Å²	61.4	50%	0.504	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	45.5	-176.9	-57.2	-179.2	177.7	-177.5	0	111.9	R48 R49 M98 W250	R48-K51 PolarHBondContact O-N 3.17Å; R49-K51 PolarHBondContact O-N 2.78Å; K51-M98 VanDerWaalsContact C-SD 3.55Å; K51-M98 HydrophobicContact CB-SD 4.28Å; K51-W250 WeakPolarHBondContact O-CH2 3.3Å; K51-W250 WeakPolarHBondContact O-CZ2 3.38Å
52	L	70.9	Confident	81.8	Confident	60 Å²	60	64 Å²	64	31%	0.314	29%	0.293	S	S	.	.			trans	-103.8	144.6	176.5	-65.3	173.2	0	0	0	109.1	F50 V54	F50-L52 VanDerWaalsContact C-N 3.26Å; F50-L52 HydrophobicContact CB-CD1 3.85Å; F50-L52 HydrophobicContact CB-CG 3.91Å; F50-L52 PolarHBondContact O-N 3.02Å; L52-V54 HydrophobicContact CB-CG2 3.7Å; L52-V54 PolarHBondContact O-N 2.95Å
53	P	74.1	Confident	81.7	Confident	11 Å²	11	64.5 Å²	64.5	7%	0.071	30%	0.295	C	S	.	.	S	Bend	trans	-76.9	44.7	178.6	33.6	-37.1	0	0	0	112.4	F90 S91 Q95 M98 W250	P53-F90 HydrophobicContact CB-CD2 4.18Å; P53-F90 HydrophobicContact CB-CE2 3.92Å; P53-F90 HydrophobicContact CG-CD2 4.14Å; P53-F90 HydrophobicContact CG-CE2 3.97Å; P53-F90 WeakPolarHBondContact O-CA 3.23Å; P53-F90 WeakPolarHBondContact O-CD2 3.38Å; P53-S91 PolarHBondContact O-N 3.32Å; P53-Q95 HydrophobicContact CB-CG 3.42Å; P53-Q95 VanDerWaalsContact CB-CG 3.42Å; P53-M98 VanDerWaalsContact CA-CE 3.44Å; P53-M98 HydrophobicContact CB-CE 3.57Å; P53-M98 HydrophobicContact CG-CE 4.38Å; P53-W250 HydrophobicContact CG-CD2 4.48Å; P53-W250 HydrophobicContact CG-CG 4.37Å
54	V	82	Confident	81.5	Confident	32 Å²	32	61.7 Å²	61.7	19%	0.194	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	143	-173.6	-59.6	0	0	0	0	111.2	L47 L52 E89	L47-V54 HydrophobicContact CB-CG2 4.27Å; L47-V54 HydrophobicContact CD1-CG2 3.82Å; L52-V54 HydrophobicContact CB-CG2 3.7Å; L52-V54 PolarHBondContact O-N 2.95Å; V54-E89 CarbonylContact C-O 3.54Å; V54-E89 WeakPolarHBondContact CA-O 3.3Å
55	L	85.3	Confident	81.4	Confident	24 Å²	24	53.4 Å²	53.4	13%	0.126	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	150.1	170.4	-74.8	175.7	0	0	0	109.9	R44 R57 V88 E89 S91 E94	R44-L55 WeakPolarHBondContact O-CD2 3.44Å; L55-R57 PolarHBondContact O-N 3.11Å; L55-V88 VanDerWaalsContact O-CA 3.31Å; L55-V88 WeakPolarHBondContact O-CA 3.44Å; L55-E89 HydrophobicContact CB-CG 4.47Å; L55-E89 PolarHBondContact N-O 2.96Å; L55-E89 PolarHBondContact O-N 2.87Å; L55-S91 WeakPolarHBondContact CD1-OG 3.42Å; L55-E94 HydrophobicContact CD1-CG 4.25Å; L55-E94 HydrophobicContact CD2-CG 3.36Å; L55-E94 HydrophobicContact CG-CG 3.56Å
56	V	87.6	Confident	81.3	Confident	3 Å²	3	51.2 Å²	51.2	2%	0.018	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	112.8	169	-175.3	0	0	0	0	107.9	L42 R44 A46 L47 S58 L86	L42-V56 HydrophobicContact CB-CG1 4.39Å; R44-V56 PolarHBondContact O-N 2.66Å; A46-V56 HydrophobicContact CB-CG2 4.26Å; L47-V56 HydrophobicContact CD1-CG2 3.92Å; L47-V56 HydrophobicContact CG-CG2 3.88Å; V56-S58 WeakPolarHBondContact CG1-O 3.5Å; V56-L86 HydrophobicContact CB-CD1 4.34Å; V56-L86 HydrophobicContact CG1-CD1 3.67Å; V56-L86 HydrophobicContact CG2-CD1 3.76Å
57	R	86	Confident	80.9	Confident	127 Å²	127	52.6 Å²	52.6	48%	0.479	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	-45.8	176.9	174.5	167.3	161.5	-171.5	1.7	110.9	L55 F87 E89	L55-R57 PolarHBondContact O-N 3.11Å; R57-F87 HydrophobicContact CB-CD1 3.81Å; R57-F87 HydrophobicContact CB-CE1 4.37Å; R57-F87 HydrophobicContact CG-CD1 3.94Å; R57-F87 HydrophobicContact CG-CE1 4.27Å; R57-F87 PolarHBondContact N-O 3.35Å; R57-E89 HydrophobicContact CB-CG 4.23Å; R57-E89 VanDerWaalsContact CD-OE2 3.3Å; R57-E89 WeakPolarHBondContact CD-OE2 3.23Å
58	S	83.6	Confident	80.5	Confident	46 Å²	46	53.9 Å²	53.9	32%	0.322	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	149.1	169.5	56.2	0	0	0	0	109.4	V56 F87	V56-S58 WeakPolarHBondContact CG1-O 3.5Å; S58-F87 PolarHBondContact N-O 2.89Å; S58-F87 WeakPolarHBondContact O-CA 3.44Å; S58-F87 WeakPolarHBondContact O-CB 3.41Å; S58-F87 PolarHBondContact O-N 2.72Å; S58-F87 VanDerWaalsContact OG-CB 3.27Å; S58-F87 WeakPolarHBondContact OG-CB 3.43Å
59	G	84.5	Confident	79.7	Confident	17 Å²	17	52.4 Å²	52.4	18%	0.175	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.3	142	175.1	0	0	0	0	0	112	L42 E85	L42-G59 PolarHBondContact N-O 3.3Å; G59-E85 CarbonylContact C-O 3.57Å; G59-E85 WeakPolarHBondContact CA-O 3.14Å
60	S	86.2	Confident	79.1	Confident	45 Å²	45	48.5 Å²	48.5	32%	0.315	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	153.3	-178.6	48.1	0	0	0	0	110.3	V40 E85	V40-S60 CarbonylContact O-C 3.54Å; V40-S60 WeakPolarHBondContact O-CA 3.27Å; S60-E85 PolarHBondContact N-O 3.26Å; S60-E85 PolarHBondContact O-N 2.82Å
61	V	86.8	Confident	78.3	Confident	4 Å²	4	50.8 Å²	50.8	2%	0.024	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	119.9	169.3	-172.5	0	0	0	0	107.6	N39 V40 L42 Q63 I64 M81 I84	N39-V61 WeakPolarHBondContact CA-O 3.21Å; V40-V61 HydrophobicContact CB-CB 4.42Å; V40-V61 PolarHBondContact N-O 3.28Å; V40-V61 PolarHBondContact O-N 3.17Å; L42-V61 HydrophobicContact CD2-CG2 4.09Å; V61-Q63 PolarHBondContact O-N 2.87Å; V61-I64 HydrophobicContact CB-CD1 4.08Å; V61-I64 HydrophobicContact CB-CG1 4.02Å; V61-I64 HydrophobicContact CG1-CD1 4.07Å; V61-I64 HydrophobicContact CG1-CG1 3.48Å; V61-I64 VanDerWaalsContact CG1-CG1 3.48Å; V61-I64 HydrophobicContact CG2-CD1 4.33Å; V61-M81 HydrophobicContact CG1-CB 4.2Å; V61-I84 HydrophobicContact CG1-CG1 3.99Å; V61-I84 HydrophobicContact CG2-CG1 4.17Å; V61-I84 HydrophobicContact CG2-CG2 4.35Å
62	R	86.8	Confident	77.6	Confident	109 Å²	109	48 Å²	48	41%	0.411	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	-46.2	-178.4	-179.4	176.2	61.4	110.7	-0	111.3	Q38 N39 E82 D83	Q38-R62 CarbonylContact C-O 3.55Å; Q38-R62 VanDerWaalsContact CA-O 3.27Å; Q38-R62 WeakPolarHBondContact CA-O 3.46Å; N39-R62 PolarHBondContact N-O 3.15Å; R62-E82 IonicContact CZ-OE2 2.75Å; R62-E82 PolarHBondContact N-O 2.82Å; R62-E82 IonicContact NH1-OE2 3.37Å; R62-E82 IonicContact NH2-OE2 3.85Å; R62-E82 PolarHBondContact NH2-OE2 3.05Å; R62-D83 HydrophobicContact CB-CB 3.88Å; R62-D83 IonicContact CZ-OD2 2.76Å; R62-D83 PolarHBondContact N-O 2.83Å; R62-D83 VanDerWaalsContact N-O 3.17Å; R62-D83 IonicContact NE-OD2 3.91Å; R62-D83 PolarHBondContact NE-OD2 2.95Å; R62-D83 IonicContact NH2-OD2 3.54Å; R62-D83 PolarHBondContact NH2-OD2 2.79Å
63	Q	85.5	Confident	76.7	Confident	43 Å²	43	53.5 Å²	53.5	20%	0.201	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	132.1	179.1	-173	169.8	-22.1	0	0	111.6	L37 Q38 V61 T65 M81 E82	L37-Q63 CarbonylContact O-C 3.53Å; L37-Q63 VanDerWaalsContact O-CA 3.31Å; L37-Q63 WeakPolarHBondContact O-CA 3.47Å; Q38-Q63 HydrophobicContact CG-CG 4.49Å; V61-Q63 PolarHBondContact O-N 2.87Å; Q63-T65 PolarHBondContact NE2-OG1 2.92Å; Q63-T65 VanDerWaalsContact NE2-OG1 3.11Å; Q63-M81 WeakPolarHBondContact O-CA 3.17Å; Q63-E82 HydrophobicContact CB-CB 4.32Å; Q63-E82 PolarHBondContact N-O 2.95Å; Q63-E82 PolarHBondContact O-N 3.11Å
64	I	86.2	Confident	75.6	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	117.9	169.8	-59.4	170.7	0	0	0	107.6	I18 S36 L37 V40 V61 I66 V79 E80 M81	I18-I64 HydrophobicContact CD1-CD1 3.53Å; S36-I64 CarbonylContact C-O 3.56Å; S36-I64 WeakPolarHBondContact CA-O 3.46Å; L37-I64 HydrophobicContact CB-CB 4.35Å; L37-I64 PolarHBondContact N-O 2.87Å; L37-I64 PolarHBondContact O-N 3.22Å; V40-I64 HydrophobicContact CB-CD1 4.09Å; V40-I64 HydrophobicContact CG1-CD1 3.99Å; V40-I64 HydrophobicContact CG2-CD1 4.15Å; V61-I64 HydrophobicContact CB-CD1 4.08Å; V61-I64 HydrophobicContact CB-CG1 4.02Å; V61-I64 HydrophobicContact CG1-CD1 4.07Å; V61-I64 HydrophobicContact CG1-CG1 3.48Å; V61-I64 VanDerWaalsContact CG1-CG1 3.48Å; V61-I64 HydrophobicContact CG2-CD1 4.33Å; I64-I66 HydrophobicContact CG2-CD1 4.34Å; I64-I66 HydrophobicContact CG2-CG1 4.16Å; I64-V79 HydrophobicContact CG2-CG1 4.42Å; I64-E80 CarbonylContact C-O 3.59Å; I64-E80 WeakPolarHBondContact CA-O 3.03Å; I64-M81 HydrophobicContact CG1-CG 4.23Å; I64-M81 HydrophobicContact CG2-CG 4.44Å
65	T	84.3	Confident	74.5	Confident	2 Å²	2	62.4 Å²	62.4	1%	0.012	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	123.1	-178.7	-59.4	0	0	0	0	109.3	K34 V35 Q63 V79 E80	K34-T65 HydrophobicContact CD-CG2 4.11Å; K34-T65 HydrophobicContact CG-CG2 3.95Å; V35-T65 CarbonylContact O-C 3.5Å; V35-T65 WeakPolarHBondContact O-CA 3.42Å; Q63-T65 PolarHBondContact NE2-OG1 2.92Å; Q63-T65 VanDerWaalsContact NE2-OG1 3.11Å; T65-V79 CarbonylContact O-C 3.53Å; T65-V79 WeakPolarHBondContact O-CA 3.44Å; T65-E80 PolarHBondContact N-O 3.49Å; T65-E80 PolarHBondContact O-N 2.75Å
66	I	81.8	Confident	73.6	Confident	14 Å²	14	67 Å²	67	7%	0.072	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	112.5	-178.5	-58.1	175.4	0	0	0	107.8	L10 L14 K34 V35 I64 L68 V78 V79	L10-I66 HydrophobicContact CD1-CD1 4.43Å; L10-I66 HydrophobicContact CD2-CD1 3.2Å; L10-I66 HydrophobicContact CG-CD1 4.44Å; L14-I66 HydrophobicContact CD1-CD1 4.35Å; K34-I66 CarbonylContact C-O 3.5Å; K34-I66 WeakPolarHBondContact CA-O 3.41Å; V35-I66 HydrophobicContact CB-CB 4.34Å; V35-I66 PolarHBondContact N-O 3.44Å; V35-I66 PolarHBondContact O-N 3.49Å; I64-I66 HydrophobicContact CG2-CD1 4.34Å; I64-I66 HydrophobicContact CG2-CG1 4.16Å; I66-L68 HydrophobicContact CG2-CD2 4.36Å; I66-L68 HydrophobicContact CG2-CG 4.48Å; I66-V78 WeakPolarHBondContact CA-O 3.32Å; I66-V79 HydrophobicContact CG1-CG1 4.2Å; I66-V79 HydrophobicContact CG1-CG2 4.22Å; I66-V79 HydrophobicContact CG2-CG2 4.41Å
67	S	78.5	Confident	73	Confident	35 Å²	35	69.6 Å²	69.6	25%	0.245	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	111.6	179.2	-58.3	0	0	0	0	108.7	V78	S67-V78 PolarHBondContact N-O 3.34Å; S67-V78 PolarHBondContact O-N 3.35Å
68	L	73.3	Confident	72.7	Confident	59 Å²	59	66.9 Å²	66.9	31%	0.309	40%	0.397	S	S	.	.			trans	-94.4	129.5	173.4	-60.2	172.6	0	0	0	108.6	F2 V6 A33 I66 A77	F2-L68 HydrophobicContact CZ-CD1 4.29Å; V6-L68 HydrophobicContact CG2-CD1 4.29Å; A33-L68 HydrophobicContact CB-CB 4.17Å; A33-L68 WeakPolarHBondContact CB-O 3.5Å; A33-L68 WeakPolarHBondContact O-CB 3.29Å; A33-L68 PolarHBondContact O-N 2.74Å; I66-L68 HydrophobicContact CG2-CD2 4.36Å; I66-L68 HydrophobicContact CG2-CG 4.48Å; L68-A77 HydrophobicContact CD2-CB 3.87Å
69	P	62.4	Low	72.8	Confident	48 Å²	48	68.5 Å²	68.5	31%	0.312	41%	0.405	S	S	.	.			trans	-65.2	140	175.1	20.7	-25.3	0	0	0	111.2	L71 D75	P69-L71 PolarHBondContact O-N 3.46Å; P69-D75 HydrophobicContact CB-CB 3.65Å; P69-D75 HydrophobicContact CG-CB 3.73Å; P69-D75 WeakPolarHBondContact CG-O 3.43Å
70	S	57.2	Low	72.9	Confident	94 Å²	94	71.9 Å²	71.9	66%	0.657	42%	0.416	S	S	*	.			trans	-75.3	114.7	-178.1	53.8	0	0	0	0	111.7	A72	S70-A72 PolarHBondContact O-N 3.03Å
71	L	54.2	Low	73	Confident	178 Å²	178	73.9 Å²	73.9	93%	0.932	42%	0.422	S	S	*	.	S	Bend	trans	47.7	-25.5	169.3	-82.6	116.5	0	0	0	120.3	P69 L73	P69-L71 PolarHBondContact O-N 3.46Å; L71-L73 PolarHBondContact O-N 3.41Å
72	A	53.1	Low	73	Confident	57 Å²	57	77.3 Å²	77.3	47%	0.471	44%	0.437	S	S	.	.			trans	-76.4	102.5	167	0	0	0	0	0	107.9	S70 T74	S70-A72 PolarHBondContact O-N 3.03Å; A72-T74 PolarHBondContact O-N 2.69Å
73	L	51.6	Low	73	Confident	175 Å²	175	75.9 Å²	75.9	92%	0.916	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	21.4	-179.1	-76.8	158.4	0	0	0	113.9	L71	L71-L73 PolarHBondContact O-N 3.41Å
74	T	51.2	Low	73.1	Confident	117 Å²	117	78.5 Å²	78.5	72%	0.718	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-26.2	-175.9	47.1	0	0	0	0	113.4	A72	A72-T74 PolarHBondContact O-N 2.69Å
75	D	58.1	Low	72.9	Confident	114 Å²	114	82 Å²	82	61%	0.61	47%	0.469	S	S	*	.	S	Bend	trans	-97.9	149.9	-174.2	-70.2	-11.5	0	0	0	112.5	P69	P69-D75 HydrophobicContact CB-CB 3.65Å; P69-D75 HydrophobicContact CG-CB 3.73Å; P69-D75 WeakPolarHBondContact CG-O 3.43Å
76	T	67.3	Low	73	Confident	119 Å²	119	86.1 Å²	86.1	73%	0.73	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-80.5	145.3	178	51	0	0	0	0	111.1	V78	T76-V78 PolarHBondContact O-N 3.25Å
77	A	73.9	Confident	73.2	Confident	59 Å²	59	88.4 Å²	88.4	49%	0.488	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-67.3	132.8	171.8	0	0	0	0	0	110	L68	L68-A77 HydrophobicContact CD2-CB 3.87Å
78	V	80.7	Confident	73.6	Confident	70 Å²	70	89.8 Å²	89.8	42%	0.424	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	129.6	178.7	-177.5	0	0	0	0	109	I66 S67 T76 E80	I66-V78 WeakPolarHBondContact CA-O 3.32Å; S67-V78 PolarHBondContact N-O 3.34Å; S67-V78 PolarHBondContact O-N 3.35Å; T76-V78 PolarHBondContact O-N 3.25Å; V78-E80 HydrophobicContact CG1-CG 4.18Å
79	V	84.7	Confident	74	Confident	80 Å²	80	90.7 Å²	90.7	49%	0.485	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	119	174.6	-177.6	0	0	0	0	108.3	I64 T65 I66 M81	I64-V79 HydrophobicContact CG2-CG1 4.42Å; T65-V79 CarbonylContact O-C 3.53Å; T65-V79 WeakPolarHBondContact O-CA 3.44Å; I66-V79 HydrophobicContact CG1-CG1 4.2Å; I66-V79 HydrophobicContact CG1-CG2 4.22Å; I66-V79 HydrophobicContact CG2-CG2 4.41Å; V79-M81 HydrophobicContact CG1-CE 3.87Å; V79-M81 HydrophobicContact CG1-CG 4.39Å
80	E	87.1	Confident	75	Confident	87 Å²	87	94.1 Å²	94.1	41%	0.407	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	135.2	176.1	-63.6	165.4	172.7	0	0	108.3	I64 T65 V78	I64-E80 CarbonylContact C-O 3.59Å; I64-E80 WeakPolarHBondContact CA-O 3.03Å; T65-E80 PolarHBondContact N-O 3.49Å; T65-E80 PolarHBondContact O-N 2.75Å; V78-E80 HydrophobicContact CG1-CG 4.18Å
81	M	88.6	Confident	76.1	Confident	87 Å²	87	90.1 Å²	90.1	43%	0.429	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	128.1	174.5	-60.5	-172.9	-171.6	0	0	108.2	V61 Q63 I64 V79 I84	V61-M81 HydrophobicContact CG1-CB 4.2Å; Q63-M81 WeakPolarHBondContact O-CA 3.17Å; I64-M81 HydrophobicContact CG1-CG 4.23Å; I64-M81 HydrophobicContact CG2-CG 4.44Å; V79-M81 HydrophobicContact CG1-CE 3.87Å; V79-M81 HydrophobicContact CG1-CG 4.39Å; M81-I84 HydrophobicContact CB-CD1 3.79Å; M81-I84 HydrophobicContact CB-CG1 4.13Å; M81-I84 HydrophobicContact SD-CD1 4.02Å
82	E	87.7	Confident	77.1	Confident	76 Å²	76	88.1 Å²	88.1	36%	0.355	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	138.6	179.5	-62.3	-177.9	-167.1	0	0	110.1	R62 Q63	R62-E82 IonicContact CZ-OE2 2.75Å; R62-E82 PolarHBondContact N-O 2.82Å; R62-E82 IonicContact NH1-OE2 3.37Å; R62-E82 IonicContact NH2-OE2 3.85Å; R62-E82 PolarHBondContact NH2-OE2 3.05Å; Q63-E82 HydrophobicContact CB-CB 4.32Å; Q63-E82 PolarHBondContact N-O 2.95Å; Q63-E82 PolarHBondContact O-N 3.11Å
83	D	85.4	Confident	78.1	Confident	79 Å²	79	88.8 Å²	88.8	42%	0.422	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	46.1	74.3	177.7	-54.9	-43.5	0	0	0	113.1	R62	R62-D83 HydrophobicContact CB-CB 3.88Å; R62-D83 IonicContact CZ-OD2 2.76Å; R62-D83 PolarHBondContact N-O 2.83Å; R62-D83 VanDerWaalsContact N-O 3.17Å; R62-D83 IonicContact NE-OD2 3.91Å; R62-D83 PolarHBondContact NE-OD2 2.95Å; R62-D83 IonicContact NH2-OD2 3.54Å; R62-D83 PolarHBondContact NH2-OD2 2.79Å
84	I	87.4	Confident	79.2	Confident	98 Å²	98	80.9 Å²	80.9	50%	0.503	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	113.3	172.9	-55.9	171	0	0	0	107.8	V61 M81	V61-I84 HydrophobicContact CG1-CG1 3.99Å; V61-I84 HydrophobicContact CG2-CG1 4.17Å; V61-I84 HydrophobicContact CG2-CG2 4.35Å; M81-I84 HydrophobicContact CB-CD1 3.79Å; M81-I84 HydrophobicContact CB-CG1 4.13Å; M81-I84 HydrophobicContact SD-CD1 4.02Å
85	E	82.6	Confident	80	Confident	75 Å²	75	77 Å²	77	35%	0.35	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	130.6	173.6	-66.2	178.9	174.4	0	0	109	G59 S60	G59-E85 CarbonylContact C-O 3.57Å; G59-E85 WeakPolarHBondContact CA-O 3.14Å; S60-E85 PolarHBondContact N-O 3.26Å; S60-E85 PolarHBondContact O-N 2.82Å
86	L	87.2	Confident	80.4	Confident	87 Å²	87	75.2 Å²	75.2	46%	0.455	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	114.1	-177.6	-175	76	0	0	0	110	L42 L47 V56 V88	L42-L86 HydrophobicContact CD1-CD1 3.62Å; L47-L86 HydrophobicContact CD1-CD2 4.25Å; L47-L86 HydrophobicContact CD2-CD2 4.47Å; V56-L86 HydrophobicContact CB-CD1 4.34Å; V56-L86 HydrophobicContact CG1-CD1 3.67Å; V56-L86 HydrophobicContact CG2-CD1 3.76Å; L86-V88 HydrophobicContact CD1-CG1 4.36Å; L86-V88 HydrophobicContact CD2-CG1 4.01Å; L86-V88 HydrophobicContact CG-CG1 3.94Å
87	F	85.8	Confident	80.3	Confident	62 Å²	62	74.5 Å²	74.5	27%	0.272	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	117.7	171.2	-167.2	-119.6	0	0	0	109.7	R57 S58 V173	R57-F87 HydrophobicContact CB-CD1 3.81Å; R57-F87 HydrophobicContact CB-CE1 4.37Å; R57-F87 HydrophobicContact CG-CD1 3.94Å; R57-F87 HydrophobicContact CG-CE1 4.27Å; R57-F87 PolarHBondContact N-O 3.35Å; S58-F87 PolarHBondContact N-O 2.89Å; S58-F87 WeakPolarHBondContact O-CA 3.44Å; S58-F87 WeakPolarHBondContact O-CB 3.41Å; S58-F87 PolarHBondContact O-N 2.72Å; S58-F87 VanDerWaalsContact OG-CB 3.27Å; S58-F87 WeakPolarHBondContact OG-CB 3.43Å; F87-V173 HydrophobicContact CE1-CG1 3.98Å; F87-V173 HydrophobicContact CE2-CG1 3.67Å; F87-V173 HydrophobicContact CE2-CG2 4.33Å; F87-V173 HydrophobicContact CZ-CG1 3.32Å
88	V	86.3	Confident	79.7	Confident	64 Å²	64	73 Å²	73	39%	0.388	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	145.4	-177	-70.7	0	0	0	0	111.3	L47 L55 L86	L47-V88 HydrophobicContact CD1-CG1 3.34Å; L55-V88 VanDerWaalsContact O-CA 3.31Å; L55-V88 WeakPolarHBondContact O-CA 3.44Å; L86-V88 HydrophobicContact CD1-CG1 4.36Å; L86-V88 HydrophobicContact CD2-CG1 4.01Å; L86-V88 HydrophobicContact CG-CG1 3.94Å
89	E	82.4	Confident	78.5	Confident	78 Å²	78	73.4 Å²	73.4	36%	0.364	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	149.2	171.8	67.1	-173.8	178.1	0	0	110	V54 L55 R57	V54-E89 CarbonylContact C-O 3.54Å; V54-E89 WeakPolarHBondContact CA-O 3.3Å; L55-E89 HydrophobicContact CB-CG 4.47Å; L55-E89 PolarHBondContact N-O 2.96Å; L55-E89 PolarHBondContact O-N 2.87Å; R57-E89 HydrophobicContact CB-CG 4.23Å; R57-E89 VanDerWaalsContact CD-OE2 3.3Å; R57-E89 WeakPolarHBondContact CD-OE2 3.23Å
90	F	82.2	Confident	77	Confident	121 Å²	121	72.4 Å²	72.4	53%	0.531	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	139.2	169.5	177	-89.2	0	0	0	110.1	P53 E92 Q95	P53-F90 HydrophobicContact CB-CD2 4.18Å; P53-F90 HydrophobicContact CB-CE2 3.92Å; P53-F90 HydrophobicContact CG-CD2 4.14Å; P53-F90 HydrophobicContact CG-CE2 3.97Å; P53-F90 WeakPolarHBondContact O-CA 3.23Å; P53-F90 WeakPolarHBondContact O-CD2 3.38Å; F90-E92 HydrophobicContact CE1-CG 4.23Å; F90-Q95 HydrophobicContact CE2-CG 4.31Å; F90-Q95 HydrophobicContact CZ-CG 4.02Å
91	S	80.8	Confident	75.4	Confident	10 Å²	10	70.4 Å²	70.4	7%	0.07	36%	0.361	C	S	.	.			trans	-131.1	117.6	-176.1	176	0	0	0	0	112.2	P53 L55 S93 E94 Q95	P53-S91 PolarHBondContact O-N 3.32Å; L55-S91 WeakPolarHBondContact CD1-OG 3.42Å; S91-S93 PolarHBondContact O-N 3.19Å; S91-S93 PolarHBondContact OG-N 3.3Å; S91-S93 PolarHBondContact OG-OG 3.34Å; S91-E94 PolarHBondContact O-N 3.25Å; S91-E94 PolarHBondContact OG-N 3.14Å; S91-Q95 PolarHBondContact O-N 2.91Å
92	E	76	Confident	73.6	Confident	136 Å²	136	68.1 Å²	68.1	64%	0.636	35%	0.351	S	S	*	.	H	α-helix	trans	-63	-30.7	171.3	-69.2	-168.5	174.3	0	0	112.5	F90 Q95 N96	F90-E92 HydrophobicContact CE1-CG 4.23Å; E92-Q95 WeakPolarHBondContact O-CB 3.33Å; E92-Q95 PolarHBondContact O-N 3.41Å; E92-N96 WeakPolarHBondContact O-CB 3.4Å; E92-N96 PolarHBondContact O-N 3.02Å; E92-N96 PolarHBondContact O-ND2 3.37Å
93	S	74	Confident	71.8	Confident	70 Å²	70	70 Å²	70	49%	0.49	36%	0.363	S	S	.	.	H	α-helix	trans	-68.8	-38	176.1	54.7	0	0	0	0	112.3	S91 N96 W97	S91-S93 PolarHBondContact O-N 3.19Å; S91-S93 PolarHBondContact OG-N 3.3Å; S91-S93 PolarHBondContact OG-OG 3.34Å; S93-N96 CarbonylContact O-C 3.56Å; S93-N96 WeakPolarHBondContact O-CB 3.31Å; S93-N96 PolarHBondContact O-N 2.91Å; S93-W97 WeakPolarHBondContact O-CB 3.46Å; S93-W97 PolarHBondContact O-N 2.71Å
94	E	74.1	Confident	70.4	Confident	10 Å²	10	69.7 Å²	69.7	5%	0.047	36%	0.364	C	S	.	.	H	α-helix	trans	-70.9	-35.2	173	-75.6	-62.7	120.1	0	0	111.2	R48 L55 S91 N96 W97 M98	R48-E94 IonicContact CZ-OE1 2.91Å; R48-E94 IonicContact CZ-OE2 3.92Å; R48-E94 IonicContact NE-OE1 2.69Å; R48-E94 PolarHBondContact NE-OE1 2.69Å; R48-E94 IonicContact NE-OE2 2.97Å; R48-E94 PolarHBondContact NE-OE2 3.19Å; R48-E94 VanDerWaalsContact NE-OE2 3.08Å; R48-E94 IonicContact NH2-OE1 3.35Å; R48-E94 PolarHBondContact NH2-OE1 3.24Å; R48-E94 IonicContact NH2-OE2 2.96Å; L55-E94 HydrophobicContact CD1-CG 4.25Å; L55-E94 HydrophobicContact CD2-CG 3.36Å; L55-E94 HydrophobicContact CG-CG 3.56Å; S91-E94 PolarHBondContact O-N 3.25Å; S91-E94 PolarHBondContact OG-N 3.14Å; E94-N96 VanDerWaalsContact C-N 3.31Å; E94-N96 PolarHBondContact O-N 3.24Å; E94-W97 PolarHBondContact O-N 2.79Å; E94-M98 WeakPolarHBondContact O-CB 3.2Å; E94-M98 VanDerWaalsContact O-CG 3.32Å; E94-M98 WeakPolarHBondContact O-CG 3.44Å; E94-M98 PolarHBondContact O-N 3.18Å
95	Q	67.1	Low	69.1	Low	34 Å²	34	68.9 Å²	68.9	16%	0.159	36%	0.364	C	S	.	.	H	α-helix	trans	-57.2	-46.2	166.8	-72.8	-160.4	-19.2	0	0	111.6	P53 F90 S91 E92 M98 R99	P53-Q95 HydrophobicContact CB-CG 3.42Å; P53-Q95 VanDerWaalsContact CB-CG 3.42Å; F90-Q95 HydrophobicContact CE2-CG 4.31Å; F90-Q95 HydrophobicContact CZ-CG 4.02Å; S91-Q95 PolarHBondContact O-N 2.91Å; E92-Q95 WeakPolarHBondContact O-CB 3.33Å; E92-Q95 PolarHBondContact O-N 3.41Å; Q95-M98 PolarHBondContact O-N 3.01Å; Q95-R99 WeakPolarHBondContact O-CG 3.39Å; Q95-R99 PolarHBondContact O-N 3.41Å
96	N	66.3	Low	68.2	Low	78 Å²	78	71.2 Å²	71.2	42%	0.417	38%	0.378	S	S	.	.	H	α-helix	trans	-63.4	-41.1	176.9	-77	-26.3	0	0	0	113	E92 S93 E94 M98 R99 S100	E92-N96 WeakPolarHBondContact O-CB 3.4Å; E92-N96 PolarHBondContact O-N 3.02Å; E92-N96 PolarHBondContact O-ND2 3.37Å; S93-N96 CarbonylContact O-C 3.56Å; S93-N96 WeakPolarHBondContact O-CB 3.31Å; S93-N96 PolarHBondContact O-N 2.91Å; E94-N96 VanDerWaalsContact C-N 3.31Å; E94-N96 PolarHBondContact O-N 3.24Å; N96-M98 VanDerWaalsContact C-N 3.34Å; N96-M98 PolarHBondContact O-N 2.78Å; N96-R99 CarbonylContact O-C 3.6Å; N96-R99 WeakPolarHBondContact O-CA 3.5Å; N96-R99 VanDerWaalsContact O-CB 3.28Å; N96-R99 WeakPolarHBondContact O-CB 3.15Å; N96-R99 PolarHBondContact O-N 2.91Å; N96-R99 VanDerWaalsContact O-N 3.09Å; N96-R99 VanDerWaalsContact OD1-CD 3.27Å; N96-R99 WeakPolarHBondContact OD1-CD 3.2Å; N96-R99 PolarHBondContact OD1-NE 2.84Å; N96-R99 PolarHBondContact OD1-NH1 2.84Å; N96-S100 PolarHBondContact O-N 3.4Å; N96-S100 PolarHBondContact O-OG 3.44Å
97	W	66.1	Low	67	Low	103 Å²	103	71.1 Å²	71.1	39%	0.39	38%	0.376	S	S	.	.	H	α-helix	trans	-62.8	-42.8	175.6	173.9	75.1	0	0	0	111.4	R48 S93 E94 R99 S100	R48-W97 VanDerWaalsContact CD-CH2 3.45Å; R48-W97 HydrophobicContact CG-CE3 4Å; R48-W97 HydrophobicContact CG-CH2 3.28Å; R48-W97 HydrophobicContact CG-CZ2 3.95Å; R48-W97 HydrophobicContact CG-CZ3 3.31Å; R48-W97 VanDerWaalsContact NH2-CD2 3.27Å; S93-W97 WeakPolarHBondContact O-CB 3.46Å; S93-W97 PolarHBondContact O-N 2.71Å; E94-W97 PolarHBondContact O-N 2.79Å; W97-R99 VanDerWaalsContact C-N 3.31Å; W97-R99 PolarHBondContact O-N 3.19Å; W97-S100 WeakPolarHBondContact CA-OG 3.47Å; W97-S100 PolarHBondContact O-N 2.74Å; W97-S100 PolarHBondContact O-OG 3.01Å
98	M	61.2	Low	66.1	Low	29 Å²	29	70.5 Å²	70.5	14%	0.143	37%	0.372	C	S	.	.	H	α-helix	trans	-64.5	-35.4	171.3	-69.4	-171.4	-67.7	0	0	112	K51 P53 E94 Q95 N96 S100 G101 W250	K51-M98 VanDerWaalsContact C-SD 3.55Å; K51-M98 HydrophobicContact CB-SD 4.28Å; P53-M98 VanDerWaalsContact CA-CE 3.44Å; P53-M98 HydrophobicContact CB-CE 3.57Å; P53-M98 HydrophobicContact CG-CE 4.38Å; E94-M98 WeakPolarHBondContact O-CB 3.2Å; E94-M98 VanDerWaalsContact O-CG 3.32Å; E94-M98 WeakPolarHBondContact O-CG 3.44Å; E94-M98 PolarHBondContact O-N 3.18Å; Q95-M98 PolarHBondContact O-N 3.01Å; N96-M98 VanDerWaalsContact C-N 3.34Å; N96-M98 PolarHBondContact O-N 2.78Å; M98-S100 VanDerWaalsContact C-N 3.32Å; M98-S100 PolarHBondContact O-N 3.48Å; M98-G101 PolarHBondContact O-N 2.82Å; M98-G101 VanDerWaalsContact O-N 3.16Å; M98-W250 HydrophobicContact CE-CE3 4.41Å; M98-W250 HydrophobicContact CE-CH2 4.17Å; M98-W250 HydrophobicContact CE-CZ3 4.03Å; M98-W250 HydrophobicContact SD-CH2 3.74Å; M98-W250 HydrophobicContact SD-CZ3 3.92Å
99	R	55.4	Low	65.4	Low	77 Å²	77	72.9 Å²	72.9	29%	0.291	37%	0.374	S	S	.	.	H	α-helix	trans	-63.3	-34	172.8	-67.9	163.5	-149.8	-177.8	1.9	112.1	Q95 N96 W97 G101 K257	Q95-R99 WeakPolarHBondContact O-CG 3.39Å; Q95-R99 PolarHBondContact O-N 3.41Å; N96-R99 CarbonylContact O-C 3.6Å; N96-R99 WeakPolarHBondContact O-CA 3.5Å; N96-R99 VanDerWaalsContact O-CB 3.28Å; N96-R99 WeakPolarHBondContact O-CB 3.15Å; N96-R99 PolarHBondContact O-N 2.91Å; N96-R99 VanDerWaalsContact O-N 3.09Å; N96-R99 VanDerWaalsContact OD1-CD 3.27Å; N96-R99 WeakPolarHBondContact OD1-CD 3.2Å; N96-R99 PolarHBondContact OD1-NE 2.84Å; N96-R99 PolarHBondContact OD1-NH1 2.84Å; W97-R99 VanDerWaalsContact C-N 3.31Å; W97-R99 PolarHBondContact O-N 3.19Å; R99-G101 PolarHBondContact O-N 3.15Å; R99-K257 HydrophobicContact CG-CD 4.08Å; R99-K257 VanDerWaalsContact NH1-NZ 3.14Å
100	S	54.3	Low	64.6	Low	60 Å²	60	72.4 Å²	72.4	42%	0.42	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	1.2	175.6	59	0	0	0	0	113.9	N96 W97 M98 L102	N96-S100 PolarHBondContact O-N 3.4Å; N96-S100 PolarHBondContact O-OG 3.44Å; W97-S100 WeakPolarHBondContact CA-OG 3.47Å; W97-S100 PolarHBondContact O-N 2.74Å; W97-S100 PolarHBondContact O-OG 3.01Å; M98-S100 VanDerWaalsContact C-N 3.32Å; M98-S100 PolarHBondContact O-N 3.48Å; S100-L102 PolarHBondContact O-N 3.08Å
101	G	52.3	Low	63.9	Low	44 Å²	44	69 Å²	69	45%	0.454	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.3	98.4	-175.1	0	0	0	0	0	113.9	M98 R99 D103	M98-G101 PolarHBondContact O-N 2.82Å; M98-G101 VanDerWaalsContact O-N 3.16Å; R99-G101 PolarHBondContact O-N 3.15Å; G101-D103 VanDerWaalsContact C-N 3.3Å; G101-D103 PolarHBondContact O-N 3.45Å
102	L	50.8	Low	63.7	Low	40 Å²	40	68.8 Å²	68.8	21%	0.209	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.7	33.4	170.2	-76.4	154.3	0	0	0	115	S100 E107 R108 V111 F335	S100-L102 PolarHBondContact O-N 3.08Å; L102-E107 VanDerWaalsContact CD2-C 3.41Å; L102-E107 HydrophobicContact CD2-CB 3.85Å; L102-E107 WeakPolarHBondContact CD2-O 3.32Å; L102-R108 HydrophobicContact CB-CG 4.17Å; L102-R108 HydrophobicContact CD2-CG 4.25Å; L102-R108 WeakPolarHBondContact O-CD 3.44Å; L102-R108 WeakPolarHBondContact O-CG 3.15Å; L102-R108 PolarHBondContact O-NE 3Å; L102-V111 HydrophobicContact CD1-CG2 4.38Å; L102-V111 HydrophobicContact CD2-CB 4.24Å; L102-V111 HydrophobicContact CD2-CG2 3.59Å; L102-F335 HydrophobicContact CD1-CD1 4.01Å; L102-F335 HydrophobicContact CD1-CD2 3.84Å; L102-F335 HydrophobicContact CD1-CE1 3.85Å; L102-F335 HydrophobicContact CD1-CE2 3.67Å; L102-F335 HydrophobicContact CD1-CG 4.01Å; L102-F335 HydrophobicContact CD1-CZ 3.68Å; L102-F335 HydrophobicContact CD2-CE2 4.49Å
103	D	49.3	Very low	63.6	Low	114 Å²	114	66.9 Å²	66.9	61%	0.61	36%	0.357	S	S	*	.			trans	-91.7	-12.5	175.4	-88.4	-13	0	0	0	114	G101 R108	G101-D103 VanDerWaalsContact C-N 3.3Å; G101-D103 PolarHBondContact O-N 3.45Å; D103-R108 IonicContact OD1-CZ 3.84Å; D103-R108 IonicContact OD1-NH2 3.21Å; D103-R108 PolarHBondContact OD1-NH2 3.42Å
104	T	56.2	Low	63.4	Low	73 Å²	73	66.3 Å²	66.3	45%	0.448	36%	0.356	S	S	.	.	S	Bend	trans	-77.2	129.9	166.9	69.7	0	0	0	0	109.9	N106 E107 R108	T104-N106 PolarHBondContact O-N 3.12Å; T104-E107 PolarHBondContact O-N 3.24Å; T104-E107 VanDerWaalsContact O-N 3.08Å; T104-E107 VanDerWaalsContact OG1-CB 3.31Å; T104-E107 WeakPolarHBondContact OG1-CB 3.48Å; T104-E107 WeakPolarHBondContact OG1-CG 3.31Å; T104-E107 PolarHBondContact OG1-N 3.02Å; T104-E107 PolarHBondContact OG1-OE2 3.15Å; T104-R108 PolarHBondContact O-N 3.11Å
105	V	61.8	Low	63.2	Low	82 Å²	82	66.8 Å²	66.8	50%	0.497	36%	0.358	S	S	.	.	H	α-helix	trans	-51.7	-34	176.7	176.1	0	0	0	0	111.1	R109	V105-R109 WeakPolarHBondContact O-CG 3.35Å; V105-R109 PolarHBondContact O-N 3.03Å
106	N	62.3	Low	63.8	Low	123 Å²	123	65.7 Å²	65.7	66%	0.658	35%	0.353	S	S	*	.	H	α-helix	trans	-69.1	-42.1	179.9	-67.9	-15	0	0	0	113.2	T104 R109 S110	T104-N106 PolarHBondContact O-N 3.12Å; N106-R109 PolarHBondContact O-N 3.01Å; N106-S110 PolarHBondContact O-N 3.47Å
107	E	63.1	Low	64	Low	85 Å²	85	70.8 Å²	70.8	40%	0.397	37%	0.367	S	S	.	.	H	α-helix	trans	-67.8	-41.3	176.7	-73.9	167.7	157.7	0	0	111.1	L102 T104 R109 S110 V111	L102-E107 VanDerWaalsContact CD2-C 3.41Å; L102-E107 HydrophobicContact CD2-CB 3.85Å; L102-E107 WeakPolarHBondContact CD2-O 3.32Å; T104-E107 PolarHBondContact O-N 3.24Å; T104-E107 VanDerWaalsContact O-N 3.08Å; T104-E107 VanDerWaalsContact OG1-CB 3.31Å; T104-E107 WeakPolarHBondContact OG1-CB 3.48Å; T104-E107 WeakPolarHBondContact OG1-CG 3.31Å; T104-E107 PolarHBondContact OG1-N 3.02Å; T104-E107 PolarHBondContact OG1-OE2 3.15Å; E107-R109 VanDerWaalsContact C-N 3.33Å; E107-R109 PolarHBondContact O-N 3.35Å; E107-S110 PolarHBondContact O-N 2.83Å; E107-S110 VanDerWaalsContact O-N 3.15Å; E107-S110 PolarHBondContact O-OG 3.26Å; E107-V111 PolarHBondContact O-N 2.91Å; E107-V111 VanDerWaalsContact O-N 3.11Å
108	R	66	Low	64.1	Low	50 Å²	50	68.3 Å²	68.3	19%	0.189	36%	0.361	C	S	.	.	H	α-helix	trans	-56.5	-49.6	174.5	-69.2	-170.3	-175.1	172.2	9.3	110.7	L102 D103 T104 S110 V111 Y112	L102-R108 HydrophobicContact CB-CG 4.17Å; L102-R108 HydrophobicContact CD2-CG 4.25Å; L102-R108 WeakPolarHBondContact O-CD 3.44Å; L102-R108 WeakPolarHBondContact O-CG 3.15Å; L102-R108 PolarHBondContact O-NE 3Å; D103-R108 IonicContact OD1-CZ 3.84Å; D103-R108 IonicContact OD1-NH2 3.21Å; D103-R108 PolarHBondContact OD1-NH2 3.42Å; T104-R108 PolarHBondContact O-N 3.11Å; R108-S110 VanDerWaalsContact C-N 3.31Å; R108-S110 PolarHBondContact O-N 3.08Å; R108-V111 PolarHBondContact O-N 3.38Å; R108-Y112 HydrophobicContact CB-CD2 4.34Å; R108-Y112 HydrophobicContact CB-CE2 3.82Å; R108-Y112 VanDerWaalsContact O-CB 3.32Å; R108-Y112 WeakPolarHBondContact O-CB 3.48Å; R108-Y112 WeakPolarHBondContact O-CD2 3.41Å; R108-Y112 PolarHBondContact O-N 2.68Å
109	R	71.8	Confident	64.7	Low	113 Å²	113	67.2 Å²	67.2	43%	0.426	36%	0.355	S	S	.	.	H	α-helix	trans	-57.6	-41.7	176.7	-77	178.5	-179.2	179.8	-1	112.3	V105 N106 E107 V111 Y112 H113	V105-R109 WeakPolarHBondContact O-CG 3.35Å; V105-R109 PolarHBondContact O-N 3.03Å; N106-R109 PolarHBondContact O-N 3.01Å; E107-R109 VanDerWaalsContact C-N 3.33Å; E107-R109 PolarHBondContact O-N 3.35Å; R109-V111 PolarHBondContact O-N 3.48Å; R109-Y112 PolarHBondContact O-N 3.15Å; R109-H113 WeakPolarHBondContact O-CB 3.42Å; R109-H113 PolarHBondContact O-CD2 2.94Å; R109-H113 PolarHBondContact O-N 3.28Å
110	S	66.5	Low	65.6	Low	68 Å²	68	67.3 Å²	67.3	48%	0.476	36%	0.358	S	S	.	.	H	α-helix	trans	-61.5	-44.4	178.8	78.2	0	0	0	0	112.5	N106 E107 R108 H113 A114	N106-S110 PolarHBondContact O-N 3.47Å; E107-S110 PolarHBondContact O-N 2.83Å; E107-S110 VanDerWaalsContact O-N 3.15Å; E107-S110 PolarHBondContact O-OG 3.26Å; R108-S110 VanDerWaalsContact C-N 3.31Å; R108-S110 PolarHBondContact O-N 3.08Å; S110-H113 PolarHBondContact O-N 3.48Å; S110-A114 PolarHBondContact O-N 2.85Å
111	V	67.5	Low	66.1	Low	51 Å²	51	70.7 Å²	70.7	31%	0.309	37%	0.368	S	S	.	.	H	α-helix	trans	-67.9	-40.7	176.9	176.9	0	0	0	0	110.4	L102 E107 R108 R109 H113 A114 Q115 F335	L102-V111 HydrophobicContact CD1-CG2 4.38Å; L102-V111 HydrophobicContact CD2-CB 4.24Å; L102-V111 HydrophobicContact CD2-CG2 3.59Å; E107-V111 PolarHBondContact O-N 2.91Å; E107-V111 VanDerWaalsContact O-N 3.11Å; R108-V111 PolarHBondContact O-N 3.38Å; R109-V111 PolarHBondContact O-N 3.48Å; V111-H113 PolarHBondContact O-N 3.02Å; V111-A114 PolarHBondContact O-N 2.69Å; V111-Q115 WeakPolarHBondContact O-CB 3.4Å; V111-Q115 PolarHBondContact O-N 3.4Å; V111-F335 HydrophobicContact CB-CE2 4.2Å; V111-F335 HydrophobicContact CG1-CE2 3.65Å; V111-F335 HydrophobicContact CG1-CZ 3.83Å
112	Y	75.2	Confident	66.7	Low	5 Å²	5	69.6 Å²	69.6	2%	0.02	35%	0.352	C	S	.	.	H	α-helix	trans	-61.5	-42.5	176.4	-70.6	-13.2	0	0	0	112.4	R108 R109 Q115 E116 E330 F335 I338 R342	R108-Y112 HydrophobicContact CB-CD2 4.34Å; R108-Y112 HydrophobicContact CB-CE2 3.82Å; R108-Y112 VanDerWaalsContact O-CB 3.32Å; R108-Y112 WeakPolarHBondContact O-CB 3.48Å; R108-Y112 WeakPolarHBondContact O-CD2 3.41Å; R108-Y112 PolarHBondContact O-N 2.68Å; R109-Y112 PolarHBondContact O-N 3.15Å; Y112-Q115 PolarHBondContact O-N 3.28Å; Y112-E116 VanDerWaalsContact O-CB 3.31Å; Y112-E116 WeakPolarHBondContact O-CB 3.41Å; Y112-E116 PolarHBondContact O-N 2.77Å; Y112-E330 HydrophobicContact CD2-CG 4.29Å; Y112-E330 HydrophobicContact CE2-CB 4.21Å; Y112-E330 HydrophobicContact CE2-CG 4.11Å; Y112-F335 HydrophobicContact CD1-CE2 4.37Å; Y112-F335 AromaticContact CE1-CD2 3.64Å; Y112-F335 HydrophobicContact CE1-CD2 3.64Å; Y112-F335 AromaticContact CE1-CE2 3.75Å; Y112-F335 HydrophobicContact CE1-CE2 3.75Å; Y112-I338 HydrophobicContact CD1-CG2 4.2Å; Y112-I338 HydrophobicContact CE1-CB 4.17Å; Y112-I338 HydrophobicContact CE1-CG2 3.59Å; Y112-I338 HydrophobicContact CE2-CG2 4.15Å; Y112-R342 VanDerWaalsContact C-NH1 3.34Å; Y112-R342 VanDerWaalsContact CB-NH2 3.34Å; Y112-R342 PolarHBondContact O-NH1 2.9Å
113	H	74.9	Confident	67.3	Low	95 Å²	95	70.1 Å²	70.1	44%	0.44	36%	0.355	S	S	.	.	H	α-helix	trans	-66.3	-40.7	174.2	-73.3	-53.8	0	0	0	112.3	R109 S110 V111 E116 R117	R109-H113 WeakPolarHBondContact O-CB 3.42Å; R109-H113 PolarHBondContact O-CD2 2.94Å; R109-H113 PolarHBondContact O-N 3.28Å; S110-H113 PolarHBondContact O-N 3.48Å; V111-H113 PolarHBondContact O-N 3.02Å; H113-E116 PolarHBondContact O-N 3.44Å; H113-R117 WeakPolarHBondContact O-CB 3.36Å; H113-R117 WeakPolarHBondContact O-CG 3.38Å; H113-R117 PolarHBondContact O-N 3.21Å
114	A	68.5	Low	67.8	Low	58 Å²	58	67.8 Å²	67.8	48%	0.479	36%	0.358	S	S	.	.	H	α-helix	trans	-62.5	-44.2	176.1	0	0	0	0	0	111.7	S110 V111 R117 L118	S110-A114 PolarHBondContact O-N 2.85Å; V111-A114 PolarHBondContact O-N 2.69Å; A114-R117 PolarHBondContact O-N 3.22Å; A114-L118 WeakPolarHBondContact O-CB 3.3Å; A114-L118 PolarHBondContact O-N 2.87Å
115	Q	71.2	Confident	67.6	Low	21 Å²	21	71 Å²	71	10%	0.098	36%	0.362	C	S	.	.	H	α-helix	trans	-64.3	-42.5	176.2	-171.2	-174.9	10.8	0	0	111.6	V111 Y112 L118 H119	V111-Q115 WeakPolarHBondContact O-CB 3.4Å; V111-Q115 PolarHBondContact O-N 3.4Å; Y112-Q115 PolarHBondContact O-N 3.28Å; Q115-L118 PolarHBondContact O-N 3Å; Q115-H119 PolarHBondContact NE2-CE1 3.34Å; Q115-H119 PolarHBondContact O-CD2 2.9Å; Q115-H119 PolarHBondContact O-N 3.07Å
116	E	78.5	Confident	66.2	Low	10 Å²	10	77.3 Å²	77.3	5%	0.047	38%	0.383	C	S	.	.	H	α-helix	trans	-62.4	-45.7	176.7	-172.2	-173.9	162.2	0	0	111.4	Y112 H113 L118 H119 K120 R313 I314	Y112-E116 VanDerWaalsContact O-CB 3.31Å; Y112-E116 WeakPolarHBondContact O-CB 3.41Å; Y112-E116 PolarHBondContact O-N 2.77Å; H113-E116 PolarHBondContact O-N 3.44Å; E116-L118 VanDerWaalsContact C-N 3.29Å; E116-L118 PolarHBondContact O-N 3.38Å; E116-H119 PolarHBondContact O-N 2.87Å; E116-K120 HydrophobicContact CG-CD 4.47Å; E116-K120 WeakPolarHBondContact O-CG 3.37Å; E116-K120 PolarHBondContact O-N 3.34Å; E116-K120 WeakPolarHBondContact OE1-CE 3.42Å; E116-K120 IonicContact OE1-NZ 2.84Å; E116-K120 PolarHBondContact OE1-NZ 3.43Å; E116-R313 VanDerWaalsContact CD-NE 3.3Å; E116-R313 IonicContact OE1-CZ 2.72Å; E116-R313 IonicContact OE1-NE 3.87Å; E116-R313 PolarHBondContact OE1-NE 2.83Å; E116-R313 IonicContact OE1-NH2 3.04Å; E116-R313 IonicContact OE2-CZ 3.46Å; E116-R313 IonicContact OE2-NE 3.78Å; E116-R313 PolarHBondContact OE2-NE 2.83Å; E116-R313 IonicContact OE2-NH2 2.63Å; E116-R313 PolarHBondContact OE2-NH2 3.19Å; E116-R313 VanDerWaalsContact OE2-NH2 3.08Å; E116-I314 HydrophobicContact CG-CD1 3.81Å
117	R	72.2	Confident	64.9	Low	185 Å²	185	74.6 Å²	74.6	70%	0.698	38%	0.384	S	S	*	.	H	α-helix	trans	-55.7	-46.9	174	-76.6	177.2	-175.4	-176.5	1.7	110.7	H113 A114 K120 M121	H113-R117 WeakPolarHBondContact O-CB 3.36Å; H113-R117 WeakPolarHBondContact O-CG 3.38Å; H113-R117 PolarHBondContact O-N 3.21Å; A114-R117 PolarHBondContact O-N 3.22Å; R117-K120 PolarHBondContact O-N 2.85Å; R117-M121 WeakPolarHBondContact O-CG 3.14Å; R117-M121 PolarHBondContact O-N 3.18Å
118	L	66.8	Low	63.4	Low	52 Å²	52	79.1 Å²	79.1	27%	0.272	41%	0.405	S	S	.	.	H	α-helix	trans	-62.5	-45.2	178.2	-169.7	153.8	0	0	0	111.8	A114 Q115 E116 K120 M121 L122 L369	A114-L118 WeakPolarHBondContact O-CB 3.3Å; A114-L118 PolarHBondContact O-N 2.87Å; Q115-L118 PolarHBondContact O-N 3Å; E116-L118 VanDerWaalsContact C-N 3.29Å; E116-L118 PolarHBondContact O-N 3.38Å; L118-K120 VanDerWaalsContact C-N 3.34Å; L118-K120 PolarHBondContact O-N 2.91Å; L118-M121 HydrophobicContact CB-CE 4.24Å; L118-M121 HydrophobicContact CG-CE 4.34Å; L118-M121 WeakPolarHBondContact O-CB 3.21Å; L118-M121 PolarHBondContact O-N 3.31Å; L118-L122 HydrophobicContact CD2-CD1 3.51Å; L118-L122 HydrophobicContact CD2-CG 3.87Å; L118-L122 WeakPolarHBondContact O-CG 3.47Å; L118-L122 PolarHBondContact O-N 2.75Å; L118-L369 HydrophobicContact CD1-CD1 4.26Å; L118-L369 HydrophobicContact CD1-CD2 3.98Å; L118-L369 HydrophobicContact CD2-CD1 3.26Å; L118-L369 HydrophobicContact CD2-CD2 4.39Å; L118-L369 HydrophobicContact CD2-CG 4.41Å; L118-L369 HydrophobicContact CG-CD1 4.4Å
119	H	73.5	Confident	61.8	Low	6 Å²	6	83.4 Å²	83.4	3%	0.028	43%	0.431	C	S	.	.	H	α-helix	trans	-61.6	-40.3	177.1	-67.6	178.4	0	0	0	112.4	Q115 E116 L122 L123 Y310 I314 I346	Q115-H119 PolarHBondContact NE2-CE1 3.34Å; Q115-H119 PolarHBondContact O-CD2 2.9Å; Q115-H119 PolarHBondContact O-N 3.07Å; E116-H119 PolarHBondContact O-N 2.87Å; H119-L122 PolarHBondContact O-N 2.75Å; H119-L123 WeakPolarHBondContact O-CD1 3.46Å; H119-L123 PolarHBondContact O-N 3.23Å; H119-Y310 PolarHBondContact CE1-OH 2.9Å; H119-Y310 AromaticContact ND1-CE1 3.44Å; H119-Y310 WeakPolarHBondContact ND1-CE1 3.37Å; H119-Y310 AromaticContact ND1-CZ 3.55Å; H119-Y310 PolarHBondContact ND1-OH 3.04Å; H119-I314 HydrophobicContact CB-CD1 3.65Å; H119-I346 HydrophobicContact CB-CD1 3.77Å; H119-I346 HydrophobicContact CB-CG1 4.31Å; H119-I346 VanDerWaalsContact ND1-CG1 3.27Å; H119-I346 WeakPolarHBondContact ND1-CG1 3.48Å
120	K	75	Confident	59.7	Low	79 Å²	79	83.9 Å²	83.9	34%	0.343	45%	0.449	S	S	.	.	H	α-helix	trans	-63.8	-40.8	173.7	-71.9	179.2	-177.4	173.1	0	111.9	E116 R117 L118 L123 I314	E116-K120 HydrophobicContact CG-CD 4.47Å; E116-K120 WeakPolarHBondContact O-CG 3.37Å; E116-K120 PolarHBondContact O-N 3.34Å; E116-K120 WeakPolarHBondContact OE1-CE 3.42Å; E116-K120 IonicContact OE1-NZ 2.84Å; E116-K120 PolarHBondContact OE1-NZ 3.43Å; R117-K120 PolarHBondContact O-N 2.85Å; L118-K120 VanDerWaalsContact C-N 3.34Å; L118-K120 PolarHBondContact O-N 2.91Å; K120-L123 PolarHBondContact O-N 3.47Å; K120-I314 HydrophobicContact CG-CD1 3.98Å
121	M	65	Low	58	Low	130 Å²	130	89.3 Å²	89.3	64%	0.64	47%	0.467	S	S	*	.	H	α-helix	trans	-61.1	-43.7	174.1	-72.6	-167.5	-61.7	0	0	111.9	R117 L118 L123 G124	R117-M121 WeakPolarHBondContact O-CG 3.14Å; R117-M121 PolarHBondContact O-N 3.18Å; L118-M121 HydrophobicContact CB-CE 4.24Å; L118-M121 HydrophobicContact CG-CE 4.34Å; L118-M121 WeakPolarHBondContact O-CB 3.21Å; L118-M121 PolarHBondContact O-N 3.31Å; M121-L123 PolarHBondContact O-N 3.27Å; M121-G124 PolarHBondContact O-N 3.18Å; M121-G124 VanDerWaalsContact O-N 3.14Å
122	L	64.2	Low	56.3	Low	22 Å²	22	93 Å²	93	12%	0.115	48%	0.479	C	S	.	.	H	α-helix	trans	-61.3	-29.8	179.1	-71.5	175.6	0	0	0	112.6	L118 H119 G124 F350 N362 Y365 M366	L118-L122 HydrophobicContact CD2-CD1 3.51Å; L118-L122 HydrophobicContact CD2-CG 3.87Å; L118-L122 WeakPolarHBondContact O-CG 3.47Å; L118-L122 PolarHBondContact O-N 2.75Å; H119-L122 PolarHBondContact O-N 2.75Å; L122-G124 VanDerWaalsContact C-N 3.27Å; L122-G124 PolarHBondContact O-N 3.48Å; L122-F350 HydrophobicContact CB-CZ 4.2Å; L122-N362 HydrophobicContact CD2-CB 4.48Å; L122-N362 PolarHBondContact O-ND2 3.04Å; L122-Y365 HydrophobicContact CD2-CG 4.29Å; L122-M366 HydrophobicContact CD1-CG 4.48Å
123	L	64.5	Low	54.2	Low	50 Å²	50	100.6 Å²	100.6	26%	0.262	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	9.7	-179.9	-69.5	155.3	0	0	0	114	H119 K120 M121 R125 I314 L349 F350	H119-L123 WeakPolarHBondContact O-CD1 3.46Å; H119-L123 PolarHBondContact O-N 3.23Å; K120-L123 PolarHBondContact O-N 3.47Å; M121-L123 PolarHBondContact O-N 3.27Å; L123-R125 PolarHBondContact O-N 3.03Å; L123-I314 HydrophobicContact CD1-CB 4.46Å; L123-I314 HydrophobicContact CD1-CG2 2.96Å; L123-I314 HydrophobicContact CG-CG2 4.46Å; L123-L349 HydrophobicContact CD1-CD2 3.37Å; L123-L349 HydrophobicContact CD2-CD2 3.63Å; L123-L349 HydrophobicContact CD2-CG 4Å; L123-L349 HydrophobicContact CG-CD2 4.14Å; L123-F350 HydrophobicContact CD2-CE1 4.07Å; L123-F350 HydrophobicContact CD2-CZ 4.21Å; L123-F350 HydrophobicContact CG-CZ 4.5Å
124	G	58.2	Low	52	Low	66 Å²	66	105 Å²	105	68%	0.68	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.3	14.3	173.7	0	0	0	0	0	114.6	M121 L122 K126	M121-G124 PolarHBondContact O-N 3.18Å; M121-G124 VanDerWaalsContact O-N 3.14Å; L122-G124 VanDerWaalsContact C-N 3.27Å; L122-G124 PolarHBondContact O-N 3.48Å; G124-K126 PolarHBondContact O-N 3.4Å
125	R	52	Low	50.3	Low	141 Å²	141	107 Å²	107	53%	0.532	54%	0.541	S	S	.	.			trans	-83	114.7	171.7	-75.2	-164.8	177	-170.2	8.7	109.9	L123 G127 Q315	L123-R125 PolarHBondContact O-N 3.03Å; R125-G127 PolarHBondContact O-N 3.46Å; R125-Q315 PolarHBondContact NH1-O 3.09Å; R125-Q315 PolarHBondContact NH2-O 3.04Å
126	K	34.1	Very low	48.4	Very low	213 Å²	213	115.4 Å²	115.4	93%	0.926	58%	0.577	S	S	*	*			trans	-56.3	96.2	175.9	-69.5	-178.5	175.7	-179.7	0	110.7	G124 H128	G124-K126 PolarHBondContact O-N 3.4Å; K126-H128 PolarHBondContact O-N 3.43Å
127	G	34.3	Very low	46	Very low	66 Å²	66	120.7 Å²	120.7	68%	0.68	61%	0.611	S	S	*	*			trans	-87.4	93	158	0	0	0	0	0	108.7	R125 D129	R125-G127 PolarHBondContact O-N 3.46Å; G127-D129 VanDerWaalsContact C-N 3.28Å; G127-D129 PolarHBondContact O-N 3.11Å
128	H	30.8	Very low	43.9	Very low	180 Å²	180	119.2 Å²	119.2	83%	0.833	62%	0.617	S	S	*	*	S	Bend	trans	31.8	-0.1	159.7	-117.5	-64.2	0	0	0	125.3	K126	K126-H128 PolarHBondContact O-N 3.43Å
129	D	32.2	Very low	42.3	Very low	140 Å²	140	124.6 Å²	124.6	75%	0.749	65%	0.645	S	S	*	*			trans	-113.7	104.6	177.2	-70.2	-26.1	0	0	0	111.4	G127 E131	G127-D129 VanDerWaalsContact C-N 3.28Å; G127-D129 PolarHBondContact O-N 3.11Å; D129-E131 VanDerWaalsContact C-N 3.27Å; D129-E131 PolarHBondContact O-N 3.46Å
130	P	28.5	Very low	40.3	Very low	124 Å²	124	129.5 Å²	129.5	81%	0.805	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	-4.4	-172.4	-15.5	29.7	0	0	0	116
131	E	31.9	Very low	38.1	Very low	182 Å²	182	135.7 Å²	135.7	85%	0.85	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.6	-5.4	-163.8	-67.5	-165.3	156.9	0	0	115.9	D129	D129-E131 VanDerWaalsContact C-N 3.27Å; D129-E131 PolarHBondContact O-N 3.46Å
132	F	31.1	Very low	36.5	Very low	129 Å²	129	136.1 Å²	136.1	57%	0.566	71%	0.709	S	S	*	*	S	Bend	trans	-98.8	-22.3	-165.2	-103	-91.6	0	0	0	118.1	R12	R12-F132 VanDerWaalsContact NH1-CE1 3.29Å; R12-F132 VanDerWaalsContact NH1-CZ 3.25Å
133	F	31.7	Very low	34.9	Very low	164 Å²	164	140.1 Å²	140.1	72%	0.719	74%	0.737	S	S	*	*			trans	-158.1	99	176.5	-88.6	-84.1	0	0	0	112.6	P135	F133-P135 WeakPolarHBondContact O-CD 3.31Å
134	Q	28	Very low	33.2	Very low	186 Å²	186	145.2 Å²	145.2	87%	0.869	77%	0.769	S	S	*	*			trans	-96.4	101	147.5	-73.5	-176	-4.9	0	0	107.1	K136	Q134-K136 PolarHBondContact O-N 3.37Å; Q134-K136 VanDerWaalsContact O-N 3.15Å
135	P	32.5	Very low	31.9	Very low	100 Å²	100	144.5 Å²	144.5	65%	0.649	76%	0.762	S	S	*	*			trans	-72.3	107.9	167.9	28.6	-26.9	0	0	0	107	F133 T137	F133-P135 WeakPolarHBondContact O-CD 3.31Å; P135-T137 PolarHBondContact O-N 3.23Å; P135-T137 VanDerWaalsContact O-N 3.11Å
136	K	31.1	Very low	31.3	Very low	198 Å²	198	144 Å²	144	86%	0.861	78%	0.775	S	S	*	*			trans	-51.4	119.7	167.5	-76.7	-177.3	174.5	-176.1	0	108.1	Q134	Q134-K136 PolarHBondContact O-N 3.37Å; Q134-K136 VanDerWaalsContact O-N 3.15Å
137	T	27.5	Very low	32	Very low	121 Å²	121	138.1 Å²	138.1	74%	0.742	75%	0.754	S	S	*	*	S	Bend	trans	-48.3	140	161.5	38.4	0	0	0	0	109.6	P135	P135-T137 PolarHBondContact O-N 3.23Å; P135-T137 VanDerWaalsContact O-N 3.11Å
138	D	29	Very low	33	Very low	155 Å²	155	137 Å²	137	83%	0.829	74%	0.737	S	S	*	*			trans	126	73.1	167.6	-57.8	-16.5	0	0	0	111.8
139	L	32.9	Very low	34.8	Very low	164 Å²	164	131.8 Å²	131.8	86%	0.859	72%	0.716	S	S	*	*			trans	-121.9	136.5	152.8	-114.7	97.9	0	0	0	108.7
140	P	31	Very low	36.9	Very low	110 Å²	110	129.4 Å²	129.4	71%	0.714	70%	0.703	S	S	*	*			trans	-66.5	142.4	-172.2	-12.4	27.1	0	0	0	111.8	D142	P140-D142 PolarHBondContact O-N 3.3Å
141	K	29.7	Very low	39.4	Very low	209 Å²	209	128.2 Å²	128.2	91%	0.909	68%	0.683	S	S	*	*			trans	-83.2	82.4	171.7	-67.5	178.7	-179.7	175.6	0	109.2
142	D	31.4	Very low	41.9	Very low	139 Å²	139	125.5 Å²	125.5	74%	0.743	67%	0.674	S	S	*	*			trans	-108.8	144.8	170.3	-73.9	-26.5	0	0	0	112.7	P140	P140-D142 PolarHBondContact O-N 3.3Å
143	P	29.6	Very low	44.6	Very low	106 Å²	106	124.2 Å²	124.2	69%	0.688	67%	0.668	S	S	*	*			trans	-89.1	143.9	-157.8	35.5	-33	0	0	0	112.5	G145	P143-G145 VanDerWaalsContact C-N 3.29Å; P143-G145 PolarHBondContact O-N 2.67Å
144	V	30	Very low	47.4	Very low	157 Å²	157	121.8 Å²	121.8	95%	0.952	66%	0.659	S	S	*	*			trans	41.2	45.3	148.6	-160.1	0	0	0	0	115.9
145	G	31.2	Very low	50.2	Low	51 Å²	51	115.9 Å²	115.9	53%	0.526	63%	0.632	S	S	.	*			trans	-96.8	140.8	169	0	0	0	0	0	110.4	P143 N147	P143-G145 VanDerWaalsContact C-N 3.29Å; P143-G145 PolarHBondContact O-N 2.67Å; G145-N147 PolarHBondContact O-N 2.7Å
146	T	38	Very low	52.8	Low	131 Å²	131	115.6 Å²	115.6	80%	0.804	63%	0.629	S	S	*	*			trans	-54.3	94.2	177.3	43.3	0	0	0	0	111.6	A148	T146-A148 VanDerWaalsContact C-N 3.27Å; T146-A148 PolarHBondContact O-N 3.43Å
147	N	49.3	Very low	55	Low	89 Å²	89	108.3 Å²	108.3	48%	0.476	61%	0.61	S	S	.	*			trans	-70.1	82.8	174.7	-77.7	-24.5	0	0	0	109.4	G145 A209 S210	G145-N147 PolarHBondContact O-N 2.7Å; N147-A209 HydrophobicContact CB-CB 4.3Å; N147-A209 CarbonylContact O-C 3.55Å; N147-A209 WeakPolarHBondContact O-CA 3.44Å; N147-A209 VanDerWaalsContact O-CB 3.24Å; N147-A209 WeakPolarHBondContact O-CB 3.48Å; N147-A209 PolarHBondContact O-N 2.86Å; N147-S210 PolarHBondContact O-N 2.9Å
148	A	56.4	Low	57.7	Low	41 Å²	41	105.4 Å²	105.4	34%	0.339	59%	0.589	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.2	127.2	164.6	0	0	0	0	0	108.6	T146 L150 E207	T146-A148 VanDerWaalsContact C-N 3.27Å; T146-A148 PolarHBondContact O-N 3.43Å; A148-L150 PolarHBondContact O-N 3.32Å; A148-E207 CarbonylContact C-O 3.54Å; A148-E207 VanDerWaalsContact CA-O 3.24Å; A148-E207 WeakPolarHBondContact CA-O 3.26Å
149	N	68	Low	60	Low	71 Å²	71	104.1 Å²	104.1	38%	0.38	57%	0.573	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-77.9	120.3	168.3	-61.1	-35.3	0	0	0	107.6	Y151 E207	N149-Y151 HydrophobicContact CB-CE2 3.68Å; N149-E207 HydrophobicContact CB-CB 4.23Å; N149-E207 PolarHBondContact N-O 3.14Å; N149-E207 PolarHBondContact O-N 3.46Å
150	L	76.3	Confident	62.2	Low	91 Å²	91	100.7 Å²	100.7	48%	0.476	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-100	125.5	177.9	-171.3	71.2	0	0	0	109.6	A148 L152 R204 E206	A148-L150 PolarHBondContact O-N 3.32Å; L150-L152 HydrophobicContact CD2-CG 4.46Å; L150-L152 HydrophobicContact CG-CD2 4.45Å; L150-L152 HydrophobicContact CG-CG 4.46Å; L150-R204 HydrophobicContact CD1-CG 3.75Å; L150-E206 HydrophobicContact CD1-CG 3.73Å
151	Y	81.3	Confident	64	Low	98 Å²	98	100.8 Å²	100.8	38%	0.384	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	130.4	170.5	-51.7	-94.8	0	0	0	109.1	N149 L205 E207	N149-Y151 HydrophobicContact CB-CE2 3.68Å; Y151-L205 HydrophobicContact CD2-CD2 3.83Å; Y151-L205 HydrophobicContact CD2-CG 4.07Å; Y151-L205 HydrophobicContact CG-CD2 4.33Å; Y151-L205 PolarHBondContact N-O 3.34Å; Y151-L205 PolarHBondContact O-N 2.79Å; Y151-E207 HydrophobicContact CD2-CG 4.19Å; Y151-E207 HydrophobicContact CE2-CB 4.43Å; Y151-E207 HydrophobicContact CE2-CG 3.72Å; Y151-E207 WeakPolarHBondContact CE2-OE2 3.38Å; Y151-E207 PolarHBondContact OH-OE2 2.73Å; Y151-E207 VanDerWaalsContact OH-OE2 3.12Å
152	L	84.7	Confident	65.8	Low	126 Å²	126	92.4 Å²	92.4	66%	0.66	51%	0.505	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115	125.6	176.7	-62.9	175.2	0	0	0	108.2	L150 I203 R204	L150-L152 HydrophobicContact CD2-CG 4.46Å; L150-L152 HydrophobicContact CG-CD2 4.45Å; L150-L152 HydrophobicContact CG-CG 4.46Å; L152-I203 CarbonylContact C-O 3.49Å; L152-I203 WeakPolarHBondContact CA-O 3.09Å; L152-R204 HydrophobicContact CD2-CB 3.72Å; L152-R204 HydrophobicContact CD2-CG 3.86Å
153	F	87.9	Confident	67.3	Low	102 Å²	102	89.3 Å²	89.3	45%	0.447	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	132.6	173.4	-48.9	-93	0	0	0	108.8	K202 I203 L205	F153-K202 CarbonylContact O-C 3.59Å; F153-K202 WeakPolarHBondContact O-CA 3.41Å; F153-I203 HydrophobicContact CB-CB 4.09Å; F153-I203 HydrophobicContact CB-CD1 4.49Å; F153-I203 HydrophobicContact CD2-CB 4.08Å; F153-I203 HydrophobicContact CD2-CG2 4.06Å; F153-I203 PolarHBondContact N-O 3.23Å; F153-I203 PolarHBondContact O-N 3.28Å; F153-L205 HydrophobicContact CE2-CB 4.14Å; F153-L205 HydrophobicContact CE2-CD2 4.35Å
154	H	89.8	Confident	68.4	Low	113 Å²	113	85 Å²	85	52%	0.523	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	116.8	173.9	-178.8	-135.9	0	0	0	107.7	T156 E200	H154-T156 VanDerWaalsContact CE1-CG2 3.47Å; H154-T156 WeakPolarHBondContact CE1-CG2 3.34Å; H154-E200 IonicContact CD2-OE1 3.6Å; H154-E200 IonicContact CE1-OE1 3.77Å; H154-E200 WeakPolarHBondContact NE2-CG 3.32Å; H154-E200 IonicContact NE2-OE1 3.83Å; H154-E200 PolarHBondContact NE2-OE1 2.77Å
155	I	87.4	Confident	69.2	Low	62 Å²	62	84.1 Å²	84.1	32%	0.318	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	125.7	-177.8	-60.1	168.2	0	0	0	106.7	L158 L201 I203	I155-L158 HydrophobicContact CG2-CB 3.92Å; I155-L201 HydrophobicContact CB-CB 4.09Å; I155-L201 HydrophobicContact CB-CD2 4.2Å; I155-L201 HydrophobicContact CB-CG 4.38Å; I155-L201 HydrophobicContact CD1-CD2 3.76Å; I155-L201 HydrophobicContact CD1-CG 4.42Å; I155-L201 PolarHBondContact N-O 3.23Å; I155-L201 PolarHBondContact O-N 3.35Å; I155-I203 HydrophobicContact CD1-CD1 4.22Å
156	T	85.6	Confident	69.6	Low	93 Å²	93	87.2 Å²	87.2	57%	0.571	47%	0.472	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.4	143.6	178.8	53.4	0	0	0	0	110.1	H154 L158 S199 E200	H154-T156 VanDerWaalsContact CE1-CG2 3.47Å; H154-T156 WeakPolarHBondContact CE1-CG2 3.34Å; T156-L158 VanDerWaalsContact C-N 3.33Å; T156-L158 PolarHBondContact O-N 3.03Å; T156-S199 WeakPolarHBondContact CA-O 3.45Å; T156-E200 HydrophobicContact CG2-CG 4.42Å
157	G	78.6	Confident	69.8	Low	45 Å²	45	84.7 Å²	84.7	46%	0.464	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	64.3	30.7	175.5	0	0	0	0	0	115.2	R159 S199	G157-R159 PolarHBondContact O-N 3.37Å; G157-S199 PolarHBondContact N-O 3.41Å
158	L	83.2	Confident	69.5	Low	60 Å²	60	89.9 Å²	89.9	31%	0.314	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	120	177	176	67.2	0	0	0	109.6	I155 T156 I198 L201	I155-L158 HydrophobicContact CG2-CB 3.92Å; T156-L158 VanDerWaalsContact C-N 3.33Å; T156-L158 PolarHBondContact O-N 3.03Å; L158-I198 HydrophobicContact CB-CB 4.23Å; L158-I198 HydrophobicContact CD2-CD1 3.85Å; L158-I198 PolarHBondContact N-O 2.92Å; L158-I198 PolarHBondContact O-N 2.87Å; L158-L201 HydrophobicContact CD2-CD2 4.41Å
159	R	78.2	Confident	69	Low	129 Å²	129	90.5 Å²	90.5	49%	0.487	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	132.8	177.7	-62.5	-175.5	-175.1	137.9	2	110.4	G157 Y161 V196 E197	G157-R159 PolarHBondContact O-N 3.37Å; R159-Y161 HydrophobicContact CB-CD2 4.29Å; R159-Y161 HydrophobicContact CB-CE2 3.47Å; R159-Y161 VanDerWaalsContact CB-CE2 3.47Å; R159-Y161 WeakPolarHBondContact CD-OH 3.4Å; R159-V196 CarbonylContact C-O 3.54Å; R159-V196 VanDerWaalsContact CA-O 3.31Å; R159-V196 WeakPolarHBondContact CA-O 3.47Å; R159-E197 HydrophobicContact CG-CB 4.45Å; R159-E197 HydrophobicContact CG-CG 4.25Å; R159-E197 IonicContact CZ-OE1 3.48Å; R159-E197 IonicContact NE-OE1 3.84Å; R159-E197 PolarHBondContact NE-OE1 2.95Å; R159-E197 VanDerWaalsContact NE-OE1 3.16Å; R159-E197 IonicContact NH2-OE1 3.67Å
160	L	77.9	Confident	67.7	Low	91 Å²	91	90.1 Å²	90.1	48%	0.476	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	128	173.8	-60.7	177.4	0	0	0	109	C194 L195 V196	L160-C194 CarbonylContact O-C 3.49Å; L160-L195 PolarHBondContact O-N 3.32Å; L160-V196 HydrophobicContact CB-CB 4.02Å; L160-V196 HydrophobicContact CB-CG2 4.41Å; L160-V196 HydrophobicContact CD1-CB 3.97Å; L160-V196 HydrophobicContact CD1-CG2 3.99Å; L160-V196 HydrophobicContact CG-CB 4.17Å; L160-V196 PolarHBondContact N-O 2.89Å; L160-V196 PolarHBondContact O-N 2.86Å
161	Y	70.6	Confident	66.3	Low	112 Å²	112	94.6 Å²	94.6	44%	0.439	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	145.5	-179.8	-61.1	-91.3	0	0	0	110.1	R159 F193 C194	R159-Y161 HydrophobicContact CB-CD2 4.29Å; R159-Y161 HydrophobicContact CB-CE2 3.47Å; R159-Y161 VanDerWaalsContact CB-CE2 3.47Å; R159-Y161 WeakPolarHBondContact CD-OH 3.4Å; Y161-F193 WeakPolarHBondContact CA-O 3.06Å; Y161-C194 HydrophobicContact CD1-CB 3.91Å; Y161-C194 HydrophobicContact CE1-CB 3.72Å
162	R	66.3	Low	64.8	Low	34 Å²	34	92.4 Å²	92.4	13%	0.128	48%	0.483	C	S	.	.			trans	-89	130.3	164.3	-175.8	173.3	169.8	-151.7	9.1	108.9	G164 F193 L195 S236 D240 E440	R162-G164 PolarHBondContact O-N 2.69Å; R162-F193 PolarHBondContact N-O 2.84Å; R162-F193 WeakPolarHBondContact O-CB 3.47Å; R162-L195 HydrophobicContact CB-CD1 4.07Å; R162-L195 HydrophobicContact CB-CD2 4.13Å; R162-L195 HydrophobicContact CB-CG 4.16Å; R162-S236 VanDerWaalsContact NH1-C 3.34Å; R162-S236 VanDerWaalsContact NH1-CB 3.28Å; R162-S236 PolarHBondContact NH1-OG 3.49Å; R162-S236 PolarHBondContact NH2-O 3.22Å; R162-D240 VanDerWaalsContact CZ-CG 3.46Å; R162-D240 IonicContact CZ-OD1 3.99Å; R162-D240 IonicContact CZ-OD2 3.51Å; R162-D240 IonicContact NE-OD2 3.02Å; R162-D240 PolarHBondContact NE-OD2 3.08Å; R162-D240 IonicContact NH2-OD1 3.03Å; R162-D240 PolarHBondContact NH2-OD1 3.45Å; R162-D240 IonicContact NH2-OD2 3.75Å; R162-D240 PolarHBondContact NH2-OD2 2.61Å; R162-E440 IonicContact NH1-OE1 2.75Å
163	A	62.9	Low	63.1	Low	74 Å²	74	88 Å²	88	61%	0.612	46%	0.461	S	S	*	.			trans	-74.4	111.3	167.3	0	0	0	0	0	108.8	L169	A163-L169 VanDerWaalsContact CA-CD1 3.4Å; A163-L169 HydrophobicContact CB-CD1 3.66Å
164	G	53.1	Low	61.3	Low	16 Å²	16	87.5 Å²	87.5	17%	0.165	46%	0.463	C	S	.	.			trans	-66.9	154.4	177.5	0	0	0	0	0	112.9	R162 N166	R162-G164 PolarHBondContact O-N 2.69Å; G164-N166 PolarHBondContact O-N 3.36Å; G164-N166 VanDerWaalsContact O-N 3.08Å
165	V	45.6	Very low	59.2	Low	137 Å²	137	84.6 Å²	84.6	83%	0.83	46%	0.456	S	S	*	.	S	Bend	trans	-61.3	-14.4	178.7	-177.3	0	0	0	0	112.8	A167	V165-A167 PolarHBondContact O-N 2.88Å
166	N	41.3	Very low	57.4	Low	117 Å²	117	87.6 Å²	87.6	63%	0.626	46%	0.463	S	S	*	.	S	Bend	trans	-70.5	122	179.5	-80.1	-22.1	0	0	0	112	G164 R168 L169	G164-N166 PolarHBondContact O-N 3.36Å; G164-N166 VanDerWaalsContact O-N 3.08Å; N166-R168 PolarHBondContact O-N 3.2Å; N166-L169 PolarHBondContact O-N 3.46Å
167	A	41.8	Very low	55.5	Low	78 Å²	78	86 Å²	86	65%	0.645	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50	-0.4	-176.1	0	0	0	0	0	117.3	V165 S170	V165-A167 PolarHBondContact O-N 2.88Å; A167-S170 PolarHBondContact O-OG 3.29Å
168	R	42.1	Very low	54	Low	197 Å²	197	88.6 Å²	88.6	74%	0.743	47%	0.471	S	S	*	.	H	α-helix	trans	-75.9	-29.1	174.9	-76.8	-178.5	178.2	165.3	0.4	113.4	N166 S170 R171 I172	N166-R168 PolarHBondContact O-N 3.2Å; R168-S170 VanDerWaalsContact C-N 3.3Å; R168-S170 PolarHBondContact O-N 2.85Å; R168-R171 WeakPolarHBondContact O-CB 3.48Å; R168-R171 PolarHBondContact O-N 3.07Å; R168-R171 VanDerWaalsContact O-N 3.14Å; R168-I172 WeakPolarHBondContact O-CG1 3.34Å; R168-I172 PolarHBondContact O-N 3.17Å
169	L	45.7	Very low	52.3	Low	54 Å²	54	87.2 Å²	87.2	28%	0.283	47%	0.471	S	S	.	.	H	α-helix	trans	-71.2	-25.4	174.9	-81.7	166.7	0	0	0	112.7	A163 N166 R171 I172 V173	A163-L169 VanDerWaalsContact CA-CD1 3.4Å; A163-L169 HydrophobicContact CB-CD1 3.66Å; N166-L169 PolarHBondContact O-N 3.46Å; L169-R171 VanDerWaalsContact C-N 3.27Å; L169-R171 PolarHBondContact O-N 3.06Å; L169-I172 HydrophobicContact CD2-CB 4.08Å; L169-I172 HydrophobicContact CD2-CD1 3.76Å; L169-I172 HydrophobicContact CD2-CG2 4.2Å; L169-I172 HydrophobicContact CG-CD1 4.34Å; L169-I172 PolarHBondContact O-N 3.08Å; L169-V173 VanDerWaalsContact O-CB 3.23Å; L169-V173 WeakPolarHBondContact O-CB 3.32Å; L169-V173 WeakPolarHBondContact O-CG2 3.07Å; L169-V173 PolarHBondContact O-N 3.25Å
170	S	42.7	Very low	50.4	Low	63 Å²	63	86 Å²	86	44%	0.441	48%	0.479	S	S	.	.	H	α-helix	trans	-59.1	-42	168.1	70.5	0	0	0	0	111	A167 R168 V173 D174	A167-S170 PolarHBondContact O-OG 3.29Å; R168-S170 VanDerWaalsContact C-N 3.3Å; R168-S170 PolarHBondContact O-N 2.85Å; S170-V173 PolarHBondContact O-N 2.95Å; S170-D174 VanDerWaalsContact O-CB 3.23Å; S170-D174 WeakPolarHBondContact O-CB 3.4Å; S170-D174 PolarHBondContact O-N 2.99Å; S170-D174 VanDerWaalsContact O-OD2 3.14Å
171	R	46	Very low	48.6	Very low	185 Å²	185	91.7 Å²	91.7	70%	0.698	50%	0.495	S	S	*	.	H	α-helix	trans	-68.2	-34.4	174.1	-63	-176.9	-179.2	172.6	0.2	113	R168 L169 S175	R168-R171 WeakPolarHBondContact O-CB 3.48Å; R168-R171 PolarHBondContact O-N 3.07Å; R168-R171 VanDerWaalsContact O-N 3.14Å; L169-R171 VanDerWaalsContact C-N 3.27Å; L169-R171 PolarHBondContact O-N 3.06Å; R171-S175 WeakPolarHBondContact O-CB 3.41Å; R171-S175 PolarHBondContact O-N 3.43Å; R171-S175 PolarHBondContact O-OG 3.35Å
172	I	49.3	Very low	47.2	Very low	52 Å²	52	93.4 Å²	93.4	27%	0.267	51%	0.511	S	S	.	.	H	α-helix	trans	-71	-43.7	176.5	-66.8	165.4	0	0	0	110	R168 L169 S175 W176	R168-I172 WeakPolarHBondContact O-CG1 3.34Å; R168-I172 PolarHBondContact O-N 3.17Å; L169-I172 HydrophobicContact CD2-CB 4.08Å; L169-I172 HydrophobicContact CD2-CD1 3.76Å; L169-I172 HydrophobicContact CD2-CG2 4.2Å; L169-I172 HydrophobicContact CG-CD1 4.34Å; L169-I172 PolarHBondContact O-N 3.08Å; I172-S175 WeakPolarHBondContact CA-OG 3.47Å; I172-S175 CarbonylContact O-C 3.51Å; I172-S175 PolarHBondContact O-N 2.86Å; I172-S175 PolarHBondContact O-OG 3.03Å; I172-W176 HydrophobicContact CG2-CD2 3.8Å; I172-W176 HydrophobicContact CG2-CE3 4.37Å; I172-W176 HydrophobicContact CG2-CG 4.28Å; I172-W176 HydrophobicContact CG2-CH2 4.11Å; I172-W176 HydrophobicContact CG2-CZ2 3.49Å; I172-W176 VanDerWaalsContact CG2-CZ2 3.49Å; I172-W176 WeakPolarHBondContact O-CB 3.32Å; I172-W176 VanDerWaalsContact O-CD1 3.28Å; I172-W176 PolarHBondContact O-N 3.28Å
173	V	50.3	Low	46.2	Very low	35 Å²	35	95 Å²	95	21%	0.212	53%	0.531	C	S	.	.	H	α-helix	trans	-63.3	-42.1	174.3	168.8	0	0	0	0	111.2	F87 L169 S170 S175 W176 A177	F87-V173 HydrophobicContact CE1-CG1 3.98Å; F87-V173 HydrophobicContact CE2-CG1 3.67Å; F87-V173 HydrophobicContact CE2-CG2 4.33Å; F87-V173 HydrophobicContact CZ-CG1 3.32Å; L169-V173 VanDerWaalsContact O-CB 3.23Å; L169-V173 WeakPolarHBondContact O-CB 3.32Å; L169-V173 WeakPolarHBondContact O-CG2 3.07Å; L169-V173 PolarHBondContact O-N 3.25Å; S170-V173 PolarHBondContact O-N 2.95Å; V173-S175 VanDerWaalsContact C-N 3.35Å; V173-W176 PolarHBondContact O-N 3.02Å; V173-A177 WeakPolarHBondContact O-CB 3.38Å; V173-A177 PolarHBondContact O-N 3.4Å
174	D	48.7	Very low	45.2	Very low	91 Å²	91	94.8 Å²	94.8	49%	0.487	52%	0.523	S	S	.	.	H	α-helix	trans	-69	-34.2	174	-68.8	-26.1	0	0	0	111.3	S170 A177 S178	S170-D174 VanDerWaalsContact O-CB 3.23Å; S170-D174 WeakPolarHBondContact O-CB 3.4Å; S170-D174 PolarHBondContact O-N 2.99Å; S170-D174 VanDerWaalsContact O-OD2 3.14Å; D174-A177 PolarHBondContact O-N 3.16Å; D174-S178 PolarHBondContact O-N 3.37Å
175	S	46.2	Very low	44.6	Very low	52 Å²	52	99.8 Å²	99.8	36%	0.364	55%	0.551	S	S	.	*	H	α-helix	trans	-70.3	-37	173.7	80	0	0	0	0	112.3	R171 I172 V173 A177 S178 G179	R171-S175 WeakPolarHBondContact O-CB 3.41Å; R171-S175 PolarHBondContact O-N 3.43Å; R171-S175 PolarHBondContact O-OG 3.35Å; I172-S175 WeakPolarHBondContact CA-OG 3.47Å; I172-S175 CarbonylContact O-C 3.51Å; I172-S175 PolarHBondContact O-N 2.86Å; I172-S175 PolarHBondContact O-OG 3.03Å; V173-S175 VanDerWaalsContact C-N 3.35Å; S175-A177 VanDerWaalsContact C-N 3.33Å; S175-S178 WeakPolarHBondContact CA-OG 3.44Å; S175-S178 WeakPolarHBondContact O-CA 3.45Å; S175-S178 PolarHBondContact O-N 2.94Å; S175-S178 PolarHBondContact O-OG 3.49Å; S175-G179 PolarHBondContact O-N 2.94Å
176	W	50.1	Low	44.2	Very low	124 Å²	124	99.2 Å²	99.2	47%	0.47	54%	0.543	S	S	.	.	H	α-helix	trans	-71.1	-30.3	175.6	-69.6	-5.1	0	0	0	111.5	I172 V173 S178	I172-W176 HydrophobicContact CG2-CD2 3.8Å; I172-W176 HydrophobicContact CG2-CE3 4.37Å; I172-W176 HydrophobicContact CG2-CG 4.28Å; I172-W176 HydrophobicContact CG2-CH2 4.11Å; I172-W176 HydrophobicContact CG2-CZ2 3.49Å; I172-W176 VanDerWaalsContact CG2-CZ2 3.49Å; I172-W176 WeakPolarHBondContact O-CB 3.32Å; I172-W176 VanDerWaalsContact O-CD1 3.28Å; I172-W176 PolarHBondContact O-N 3.28Å; V173-W176 PolarHBondContact O-N 3.02Å; W176-S178 PolarHBondContact O-N 3.36Å
177	A	45.2	Very low	44	Very low	60 Å²	60	96 Å²	96	50%	0.496	54%	0.538	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-16.6	168.7	0	0	0	0	0	113	V173 D174 S175	V173-A177 WeakPolarHBondContact O-CB 3.38Å; V173-A177 PolarHBondContact O-N 3.4Å; D174-A177 PolarHBondContact O-N 3.16Å; S175-A177 VanDerWaalsContact C-N 3.33Å
178	S	46.7	Very low	44	Very low	100 Å²	100	99.4 Å²	99.4	70%	0.699	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.1	-5.8	-176.3	73.3	0	0	0	0	115.5	D174 S175 W176	D174-S178 PolarHBondContact O-N 3.37Å; S175-S178 WeakPolarHBondContact CA-OG 3.44Å; S175-S178 WeakPolarHBondContact O-CA 3.45Å; S175-S178 PolarHBondContact O-N 2.94Å; S175-S178 PolarHBondContact O-OG 3.49Å; W176-S178 PolarHBondContact O-N 3.36Å
179	G	46.9	Very low	44	Very low	31 Å²	31	94.5 Å²	94.5	32%	0.32	54%	0.537	S	S	.	.	S	Bend	trans	161.2	163.4	174.6	0	0	0	0	0	114.2	S175 R181	S175-G179 PolarHBondContact O-N 2.94Å; G179-R181 PolarHBondContact O-N 2.69Å
180	P	39.4	Very low	44	Very low	102 Å²	102	95.2 Å²	95.2	66%	0.662	54%	0.541	S	S	*	.			trans	-81.1	109.5	-171.2	32.9	-30.3	0	0	0	108.9
181	R	39.7	Very low	44.2	Very low	212 Å²	212	99 Å²	99	80%	0.8	55%	0.55	S	S	*	.			trans	-119.9	118	159.4	-73	-168.3	-172.2	-160	3.1	107.7	G179	G179-R181 PolarHBondContact O-N 2.69Å
182	L	41.7	Very low	44.3	Very low	148 Å²	148	95.4 Å²	95.4	78%	0.775	54%	0.541	S	S	*	.			trans	-45.1	150.2	173	-79.1	102.2	0	0	0	111.1
183	A	44.3	Very low	44.8	Very low	68 Å²	68	96.1 Å²	96.1	56%	0.562	54%	0.542	S	S	*	.	S	Bend	trans	-19.1	143	172.2	0	0	0	0	0	115.5	T185	A183-T185 WeakPolarHBondContact O-CG2 3.27Å; A183-T185 PolarHBondContact O-N 3.33Å
184	P	42.4	Very low	45.2	Very low	68 Å²	68	95.1 Å²	95.1	44%	0.442	54%	0.536	S	S	.	.			trans	-54.2	104.6	-177.4	22.9	-32.4	0	0	0	110.8	D190	P184-D190 WeakPolarHBondContact CB-OD2 3.4Å
185	T	40.3	Very low	46	Very low	122 Å²	122	92.1 Å²	92.1	75%	0.748	52%	0.521	S	S	*	.			trans	-93	3.6	176.7	46.1	0	0	0	0	112.6	A183 G187	A183-T185 WeakPolarHBondContact O-CG2 3.27Å; A183-T185 PolarHBondContact O-N 3.33Å; T185-G187 PolarHBondContact O-N 2.89Å; T185-G187 VanDerWaalsContact O-N 3.15Å
186	D	38.2	Very low	47.1	Very low	125 Å²	125	91 Å²	91	67%	0.668	51%	0.511	S	S	*	.			trans	-81.1	104.1	-177.6	-70.8	-9.6	0	0	0	110.3	N188	D186-N188 VanDerWaalsContact C-N 3.26Å; D186-N188 PolarHBondContact O-N 2.79Å
187	G	37.1	Very low	48	Very low	50 Å²	50	86.9 Å²	86.9	52%	0.515	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	8.2	-156.2	0	0	0	0	0	119.1	T185 K191	T185-G187 PolarHBondContact O-N 2.89Å; T185-G187 VanDerWaalsContact O-N 3.15Å; G187-K191 PolarHBondContact O-NZ 2.97Å
188	N	42	Very low	49.4	Very low	148 Å²	148	84.9 Å²	84.9	79%	0.791	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.9	-11.5	-170.3	-102	0.6	0	0	0	118.6	D186	D186-N188 VanDerWaalsContact C-N 3.26Å; D186-N188 PolarHBondContact O-N 2.79Å
189	T	41.9	Very low	50.8	Low	94 Å²	94	82.8 Å²	82.8	58%	0.577	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.8	-15.2	-173.7	53	0	0	0	0	115.5
190	D	45.7	Very low	52.5	Low	70 Å²	70	84.3 Å²	84.3	37%	0.374	46%	0.462	S	S	.	.	S	Bend	trans	-101.3	4.9	-174.8	-70.9	-7.3	0	0	0	114.1	P184 E192	P184-D190 WeakPolarHBondContact CB-OD2 3.4Å; D190-E192 PolarHBondContact O-N 3.15Å
191	K	46.3	Very low	54.5	Low	141 Å²	141	80.3 Å²	80.3	61%	0.613	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-6.6	176.6	-75.2	176.1	-178.9	156.1	0	113.7	G187 K232	G187-K191 PolarHBondContact O-NZ 2.97Å; K191-K232 PolarHBondContact O-NZ 2.88Å; K191-K232 VanDerWaalsContact O-NZ 3.09Å
192	E	48.7	Very low	56.4	Low	110 Å²	110	74.5 Å²	74.5	51%	0.514	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-15	-170.6	-69.8	179.3	-179.2	0	0	113.8	D190	D190-E192 PolarHBondContact O-N 3.15Å
193	F	58.5	Low	58.3	Low	67 Å²	67	69 Å²	69	29%	0.294	39%	0.387	S	S	.	.	S	Bend	trans	-119.2	10.2	-174.4	-57.8	-77.4	0	0	0	115.9	Y161 R162 L195	Y161-F193 WeakPolarHBondContact CA-O 3.06Å; R162-F193 PolarHBondContact N-O 2.84Å; R162-F193 WeakPolarHBondContact O-CB 3.47Å; F193-L195 PolarHBondContact O-N 3.21Å
194	C	58.8	Low	59.8	Low	14 Å²	14	71.1 Å²	71.1	10%	0.095	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	106.7	175.7	-172.4	0	0	0	0	110.4	L160 Y161 K232	L160-C194 CarbonylContact O-C 3.49Å; Y161-C194 HydrophobicContact CD1-CB 3.91Å; Y161-C194 HydrophobicContact CE1-CB 3.72Å; C194-K232 WeakPolarHBondContact O-CB 3.49Å; C194-K232 WeakPolarHBondContact O-CD 3.4Å
195	L	65.1	Low	61.5	Low	29 Å²	29	69 Å²	69	15%	0.152	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	-43.2	-178.3	-57	-173	0	0	0	112.3	L160 R162 F193 L231 K232 V237	L160-L195 PolarHBondContact O-N 3.32Å; R162-L195 HydrophobicContact CB-CD1 4.07Å; R162-L195 HydrophobicContact CB-CD2 4.13Å; R162-L195 HydrophobicContact CB-CG 4.16Å; F193-L195 PolarHBondContact O-N 3.21Å; L195-L231 WeakPolarHBondContact O-CA 3.42Å; L195-K232 PolarHBondContact O-N 3.45Å; L195-V237 HydrophobicContact CD1-CG1 4Å; L195-V237 HydrophobicContact CD2-CB 4.14Å; L195-V237 HydrophobicContact CD2-CG1 3.5Å; L195-V237 VanDerWaalsContact CD2-CG1 3.5Å; L195-V237 HydrophobicContact CD2-CG2 3.46Å; L195-V237 VanDerWaalsContact CD2-CG2 3.46Å; L195-V237 HydrophobicContact CG-CG1 4.33Å
196	V	69.9	Low	63	Low	27 Å²	27	64.9 Å²	64.9	16%	0.164	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	124.8	-175.4	-176.6	0	0	0	0	108.2	R159 L160 I198 L229 R230 L231	R159-V196 CarbonylContact C-O 3.54Å; R159-V196 VanDerWaalsContact CA-O 3.31Å; R159-V196 WeakPolarHBondContact CA-O 3.47Å; L160-V196 HydrophobicContact CB-CB 4.02Å; L160-V196 HydrophobicContact CB-CG2 4.41Å; L160-V196 HydrophobicContact CD1-CB 3.97Å; L160-V196 HydrophobicContact CD1-CG2 3.99Å; L160-V196 HydrophobicContact CG-CB 4.17Å; L160-V196 PolarHBondContact N-O 2.89Å; L160-V196 PolarHBondContact O-N 2.86Å; V196-I198 HydrophobicContact CG1-CD1 3.93Å; V196-I198 HydrophobicContact CG1-CG1 4.06Å; V196-L229 HydrophobicContact CG1-CD1 4.01Å; V196-R230 WeakPolarHBondContact CA-O 3.44Å; V196-L231 HydrophobicContact CB-CD2 4.25Å; V196-L231 HydrophobicContact CG1-CD2 4.01Å; V196-L231 HydrophobicContact CG2-CD2 3.74Å
197	E	68.8	Low	64.4	Low	38 Å²	38	60.8 Å²	60.8	18%	0.178	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	123.8	170.4	171.8	172.3	-139.1	0	0	109.4	R159 R230	R159-E197 HydrophobicContact CG-CB 4.45Å; R159-E197 HydrophobicContact CG-CG 4.25Å; R159-E197 IonicContact CZ-OE1 3.48Å; R159-E197 IonicContact NE-OE1 3.84Å; R159-E197 PolarHBondContact NE-OE1 2.95Å; R159-E197 VanDerWaalsContact NE-OE1 3.16Å; R159-E197 IonicContact NH2-OE1 3.67Å; E197-R230 HydrophobicContact CB-CB 4.2Å; E197-R230 PolarHBondContact N-O 3.46Å; E197-R230 PolarHBondContact O-N 3.09Å; E197-R230 IonicContact OE2-CZ 3.02Å; E197-R230 IonicContact OE2-NE 3.19Å; E197-R230 IonicContact OE2-NH1 2.66Å; E197-R230 PolarHBondContact OE2-NH1 3.5Å
198	I	76	Confident	65.6	Low	18 Å²	18	59.7 Å²	59.7	9%	0.092	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	116.2	177	-63.7	160.4	0	0	0	108.3	L158 V196 L201 I226 F228 L229	L158-I198 HydrophobicContact CB-CB 4.23Å; L158-I198 HydrophobicContact CD2-CD1 3.85Å; L158-I198 PolarHBondContact N-O 2.92Å; L158-I198 PolarHBondContact O-N 2.87Å; V196-I198 HydrophobicContact CG1-CD1 3.93Å; V196-I198 HydrophobicContact CG1-CG1 4.06Å; I198-L201 HydrophobicContact CG2-CB 3.82Å; I198-I226 HydrophobicContact CG2-CG2 4.23Å; I198-F228 WeakPolarHBondContact CA-O 2.98Å; I198-L229 HydrophobicContact CD1-CD1 4.04Å; I198-L229 HydrophobicContact CG1-CD1 3.53Å
199	S	76.2	Confident	66.3	Low	56 Å²	56	53.4 Å²	53.4	39%	0.392	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	-46.9	-179.3	62.4	0	0	0	0	112.1	T156 G157 F228	T156-S199 WeakPolarHBondContact CA-O 3.45Å; G157-S199 PolarHBondContact N-O 3.41Å; S199-F228 PolarHBondContact N-O 2.85Å; S199-F228 WeakPolarHBondContact OG-CB 3.2Å; S199-F228 PolarHBondContact OG-N 3.13Å
200	E	81.1	Confident	66.6	Low	64 Å²	64	50.8 Å²	50.8	30%	0.299	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	129.5	-176.5	-171.5	178.8	-144.5	0	0	109.5	H154 T156 K202 G227	H154-E200 IonicContact CD2-OE1 3.6Å; H154-E200 IonicContact CE1-OE1 3.77Å; H154-E200 WeakPolarHBondContact NE2-CG 3.32Å; H154-E200 IonicContact NE2-OE1 3.83Å; H154-E200 PolarHBondContact NE2-OE1 2.77Å; T156-E200 HydrophobicContact CG2-CG 4.42Å; E200-K202 VanDerWaalsContact CD-CE 3.43Å; E200-K202 HydrophobicContact CG-CG 4.5Å; E200-K202 WeakPolarHBondContact OE1-CE 3.33Å; E200-K202 IonicContact OE1-NZ 2.63Å; E200-K202 PolarHBondContact OE1-NZ 3.06Å; E200-K202 IonicContact OE2-NZ 2.99Å; E200-K202 PolarHBondContact OE2-NZ 3.48Å; E200-G227 PolarHBondContact O-N 3.3Å
201	L	81.4	Confident	66.4	Low	18 Å²	18	50.4 Å²	50.4	9%	0.094	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	114.5	179.7	169.6	67.4	0	0	0	108.4	I155 L158 I198 I203 I224 D225 I226	I155-L201 HydrophobicContact CB-CB 4.09Å; I155-L201 HydrophobicContact CB-CD2 4.2Å; I155-L201 HydrophobicContact CB-CG 4.38Å; I155-L201 HydrophobicContact CD1-CD2 3.76Å; I155-L201 HydrophobicContact CD1-CG 4.42Å; I155-L201 PolarHBondContact N-O 3.23Å; I155-L201 PolarHBondContact O-N 3.35Å; L158-L201 HydrophobicContact CD2-CD2 4.41Å; I198-L201 HydrophobicContact CG2-CB 3.82Å; L201-I203 HydrophobicContact CD1-CD1 4.45Å; L201-I203 HydrophobicContact CD1-CG1 4.06Å; L201-I203 HydrophobicContact CD2-CD1 4.14Å; L201-I203 HydrophobicContact CG-CD1 4.17Å; L201-I203 HydrophobicContact CG-CG1 4.05Å; L201-I224 HydrophobicContact CD1-CG2 3.41Å; L201-I224 VanDerWaalsContact CD1-CG2 3.41Å; L201-D225 WeakPolarHBondContact CA-O 3.23Å; L201-I226 HydrophobicContact CD1-CD1 4.43Å; L201-I226 HydrophobicContact CD1-CG1 3.71Å
202	K	80.4	Confident	65.9	Low	90 Å²	90	52.4 Å²	52.4	39%	0.391	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	118.5	176.4	-70.2	168.9	177.3	142.6	0	108.3	F153 E200 I224 D225	F153-K202 CarbonylContact O-C 3.59Å; F153-K202 WeakPolarHBondContact O-CA 3.41Å; E200-K202 VanDerWaalsContact CD-CE 3.43Å; E200-K202 HydrophobicContact CG-CG 4.5Å; E200-K202 WeakPolarHBondContact OE1-CE 3.33Å; E200-K202 IonicContact OE1-NZ 2.63Å; E200-K202 PolarHBondContact OE1-NZ 3.06Å; E200-K202 IonicContact OE2-NZ 2.99Å; E200-K202 PolarHBondContact OE2-NZ 3.48Å; K202-I224 CarbonylContact O-C 3.59Å; K202-I224 WeakPolarHBondContact O-CA 3.29Å; K202-D225 HydrophobicContact CB-CB 4.25Å; K202-D225 PolarHBondContact N-O 2.91Å; K202-D225 PolarHBondContact O-N 3.34Å
203	I	81.6	Confident	65.4	Low	33 Å²	33	47.8 Å²	47.8	17%	0.169	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	123.6	177.9	-54.9	164.5	0	0	0	108	L152 F153 I155 L201 L222 D223 I224	L152-I203 CarbonylContact C-O 3.49Å; L152-I203 WeakPolarHBondContact CA-O 3.09Å; F153-I203 HydrophobicContact CB-CB 4.09Å; F153-I203 HydrophobicContact CB-CD1 4.49Å; F153-I203 HydrophobicContact CD2-CB 4.08Å; F153-I203 HydrophobicContact CD2-CG2 4.06Å; F153-I203 PolarHBondContact N-O 3.23Å; F153-I203 PolarHBondContact O-N 3.28Å; I155-I203 HydrophobicContact CD1-CD1 4.22Å; L201-I203 HydrophobicContact CD1-CD1 4.45Å; L201-I203 HydrophobicContact CD1-CG1 4.06Å; L201-I203 HydrophobicContact CD2-CD1 4.14Å; L201-I203 HydrophobicContact CG-CD1 4.17Å; L201-I203 HydrophobicContact CG-CG1 4.05Å; I203-L222 HydrophobicContact CG2-CD2 4.42Å; I203-D223 CarbonylContact C-O 3.57Å; I203-D223 WeakPolarHBondContact CA-O 3.36Å; I203-I224 HydrophobicContact CG1-CG1 4.35Å; I203-I224 HydrophobicContact CG1-CG2 4.24Å; I203-I224 HydrophobicContact CG2-CG1 4.3Å
204	R	76.3	Confident	64.4	Low	111 Å²	111	49.3 Å²	49.3	42%	0.419	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	112.3	169.1	167.9	-175.8	-179.3	162.2	2.1	108.1	L150 L152 E206 L222 D223	L150-R204 HydrophobicContact CD1-CG 3.75Å; L152-R204 HydrophobicContact CD2-CB 3.72Å; L152-R204 HydrophobicContact CD2-CG 3.86Å; R204-E206 HydrophobicContact CG-CG 4.24Å; R204-E206 IonicContact CZ-OE1 2.69Å; R204-E206 IonicContact NE-OE1 2.91Å; R204-E206 PolarHBondContact NE-OE1 2.78Å; R204-E206 IonicContact NH2-OE1 3.44Å; R204-E206 PolarHBondContact NH2-OE1 2.79Å; R204-L222 CarbonylContact O-C 3.53Å; R204-L222 WeakPolarHBondContact O-CA 3.3Å; R204-D223 HydrophobicContact CB-CB 4.08Å; R204-D223 PolarHBondContact N-O 2.79Å; R204-D223 PolarHBondContact O-N 2.81Å
205	L	78.3	Confident	63.4	Low	25 Å²	25	53.2 Å²	53.2	13%	0.131	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	120.3	174	169.3	69.3	0	0	0	108.8	Y151 F153 E207 R220 T221 L222	Y151-L205 HydrophobicContact CD2-CD2 3.83Å; Y151-L205 HydrophobicContact CD2-CG 4.07Å; Y151-L205 HydrophobicContact CG-CD2 4.33Å; Y151-L205 PolarHBondContact N-O 3.34Å; Y151-L205 PolarHBondContact O-N 2.79Å; F153-L205 HydrophobicContact CE2-CB 4.14Å; F153-L205 HydrophobicContact CE2-CD2 4.35Å; L205-E207 HydrophobicContact CD1-CG 4.38Å; L205-E207 HydrophobicContact CD2-CG 4.26Å; L205-E207 HydrophobicContact CG-CG 4.15Å; L205-R220 HydrophobicContact CD1-CB 4.2Å; L205-R220 HydrophobicContact CD1-CG 4.43Å; L205-T221 CarbonylContact C-O 3.59Å; L205-T221 WeakPolarHBondContact CA-O 3.46Å; L205-L222 HydrophobicContact CD1-CD1 3.93Å; L205-L222 HydrophobicContact CD1-CD2 4.34Å; L205-L222 HydrophobicContact CD1-CG 3.77Å
206	E	69.9	Low	62.4	Low	35 Å²	35	58.3 Å²	58.3	16%	0.164	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	114.7	171.9	-43.5	-171.4	137.1	0	0	108.1	L150 R204 R220 T221	L150-E206 HydrophobicContact CD1-CG 3.73Å; R204-E206 HydrophobicContact CG-CG 4.24Å; R204-E206 IonicContact CZ-OE1 2.69Å; R204-E206 IonicContact NE-OE1 2.91Å; R204-E206 PolarHBondContact NE-OE1 2.78Å; R204-E206 IonicContact NH2-OE1 3.44Å; R204-E206 PolarHBondContact NH2-OE1 2.79Å; E206-R220 CarbonylContact O-C 3.55Å; E206-R220 VanDerWaalsContact O-CA 3.24Å; E206-R220 WeakPolarHBondContact O-CA 3.29Å; E206-T221 PolarHBondContact N-O 2.82Å; E206-T221 PolarHBondContact O-N 3.12Å
207	E	69.2	Low	61.3	Low	38 Å²	38	60.4 Å²	60.4	18%	0.178	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	114.3	170.4	-55.7	-169.3	127.8	0	0	109	A148 N149 Y151 L205 A209 R220	A148-E207 CarbonylContact C-O 3.54Å; A148-E207 VanDerWaalsContact CA-O 3.24Å; A148-E207 WeakPolarHBondContact CA-O 3.26Å; N149-E207 HydrophobicContact CB-CB 4.23Å; N149-E207 PolarHBondContact N-O 3.14Å; N149-E207 PolarHBondContact O-N 3.46Å; Y151-E207 HydrophobicContact CD2-CG 4.19Å; Y151-E207 HydrophobicContact CE2-CB 4.43Å; Y151-E207 HydrophobicContact CE2-CG 3.72Å; Y151-E207 WeakPolarHBondContact CE2-OE2 3.38Å; Y151-E207 PolarHBondContact OH-OE2 2.73Å; Y151-E207 VanDerWaalsContact OH-OE2 3.12Å; L205-E207 HydrophobicContact CD1-CG 4.38Å; L205-E207 HydrophobicContact CD2-CG 4.26Å; L205-E207 HydrophobicContact CG-CG 4.15Å; E207-A209 PolarHBondContact O-N 3.49Å; E207-A209 VanDerWaalsContact O-N 3.11Å; E207-R220 HydrophobicContact CG-CG 4.16Å; E207-R220 IonicContact OE1-CZ 2.94Å; E207-R220 IonicContact OE1-NE 2.69Å; E207-R220 PolarHBondContact OE1-NE 3Å; E207-R220 IonicContact OE1-NH2 3.88Å; E207-R220 PolarHBondContact OE1-NH2 3.28Å
208	N	61.9	Low	60.5	Low	27 Å²	27	59 Å²	59	14%	0.144	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	103	178.1	-78.7	-39.3	0	0	0	109.9	S210 P218 E219	N208-S210 VanDerWaalsContact C-N 3.26Å; N208-P218 WeakPolarHBondContact CB-O 3.19Å; N208-P218 PolarHBondContact ND2-O 2.94Å; N208-E219 PolarHBondContact N-O 2.96Å
209	A	55.6	Low	59.6	Low	16 Å²	16	62.2 Å²	62.2	13%	0.132	31%	0.311	C	S	.	.			trans	-82.2	-4.7	176	0	0	0	0	0	112.7	N147 E207 L211	N147-A209 HydrophobicContact CB-CB 4.3Å; N147-A209 CarbonylContact O-C 3.55Å; N147-A209 WeakPolarHBondContact O-CA 3.44Å; N147-A209 VanDerWaalsContact O-CB 3.24Å; N147-A209 WeakPolarHBondContact O-CB 3.48Å; N147-A209 PolarHBondContact O-N 2.86Å; E207-A209 PolarHBondContact O-N 3.49Å; E207-A209 VanDerWaalsContact O-N 3.11Å; A209-L211 PolarHBondContact O-N 3.03Å
210	S	49	Very low	58.7	Low	39 Å²	39	64.7 Å²	64.7	27%	0.273	31%	0.312	S	S	.	.			trans	-73.2	108.5	175.8	-174.3	0	0	0	0	111.6	N147 N208 M212 A213	N147-S210 PolarHBondContact O-N 2.9Å; N208-S210 VanDerWaalsContact C-N 3.26Å; S210-M212 PolarHBondContact O-N 3.32Å; S210-A213 PolarHBondContact O-N 3.32Å
211	L	41.6	Very low	57.7	Low	63 Å²	63	61.8 Å²	61.8	33%	0.33	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-15.6	177.3	-74.6	165.1	0	0	0	114.6	A209 W214 W363	A209-L211 PolarHBondContact O-N 3.03Å; L211-W214 HydrophobicContact CD2-CH2 3.93Å; L211-W214 HydrophobicContact CD2-CZ2 3.5Å; L211-W214 VanDerWaalsContact CD2-CZ2 3.5Å; L211-W363 HydrophobicContact CD1-CB 4.49Å; L211-W363 HydrophobicContact CD1-CD2 4.42Å; L211-W363 HydrophobicContact CD1-CG 3.96Å; L211-W363 HydrophobicContact CD2-CD2 4.23Å; L211-W363 HydrophobicContact CD2-CG 4.27Å; L211-W363 HydrophobicContact CD2-CZ2 4.02Å
212	M	35.6	Very low	56.7	Low	182 Å²	182	62.8 Å²	62.8	90%	0.897	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	-6	-172.4	-66.3	-170.1	170.1	0	0	113.7	S210	S210-M212 PolarHBondContact O-N 3.32Å
213	A	37.9	Very low	55.7	Low	14 Å²	14	59.6 Å²	59.6	12%	0.116	29%	0.291	C	S	.	.			trans	-114.5	10.7	-171.2	0	0	0	0	0	114.7	S210 N215 I216 L217	S210-A213 PolarHBondContact O-N 3.32Å; A213-N215 PolarHBondContact O-N 2.91Å; A213-I216 PolarHBondContact O-N 3.45Å; A213-L217 HydrophobicContact CB-CB 4.21Å; A213-L217 HydrophobicContact CB-CD1 3.83Å; A213-L217 HydrophobicContact CB-CG 4.19Å; A213-L217 PolarHBondContact O-N 3.49Å
214	W	38.4	Very low	55.1	Low	99 Å²	99	59.4 Å²	59.4	38%	0.375	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-13.1	-179.3	-65.7	-12.2	0	0	0	114.7	L211 W363 S420	L211-W214 HydrophobicContact CD2-CH2 3.93Å; L211-W214 HydrophobicContact CD2-CZ2 3.5Å; L211-W214 VanDerWaalsContact CD2-CZ2 3.5Å; W214-W363 HydrophobicContact CH2-CZ2 4.11Å; W214-S420 PolarHBondContact O-OG 3.47Å
215	N	36.4	Very low	54.5	Low	96 Å²	96	56.3 Å²	56.3	51%	0.513	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-10.5	178.8	-51.9	3.1	0	0	0	111.7	A213	A213-N215 PolarHBondContact O-N 2.91Å
216	I	44.4	Very low	53.9	Low	135 Å²	135	56.1 Å²	56.1	69%	0.692	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126	-32.5	-170	-55.6	173.3	0	0	0	111.5	A213 S420	A213-I216 PolarHBondContact O-N 3.45Å; I216-S420 PolarHBondContact N-OG 3.46Å
217	L	47.4	Very low	53.5	Low	71 Å²	71	55.1 Å²	55.1	37%	0.372	28%	0.28	S	S	.	.	S	Bend	trans	-127.4	141.7	-172.3	-65.4	174.4	0	0	0	111.5	A213	A213-L217 HydrophobicContact CB-CB 4.21Å; A213-L217 HydrophobicContact CB-CD1 3.83Å; A213-L217 HydrophobicContact CB-CG 4.19Å; A213-L217 PolarHBondContact O-N 3.49Å
218	P	51.4	Low	53.3	Low	10 Å²	10	56 Å²	56	7%	0.065	28%	0.284	C	S	.	.			trans	-64.3	143.9	177.4	28.1	-35.9	0	0	0	112.6	N208 R220 T221 P421 Q424	N208-P218 WeakPolarHBondContact CB-O 3.19Å; N208-P218 PolarHBondContact ND2-O 2.94Å; P218-R220 PolarHBondContact O-N 3.41Å; P218-T221 VanDerWaalsContact CG-OG1 3.31Å; P218-T221 WeakPolarHBondContact CG-OG1 3.39Å; P218-P421 WeakPolarHBondContact CA-O 3.24Å; P218-P421 HydrophobicContact CB-CG 4.47Å; P218-P421 WeakPolarHBondContact CB-O 3.35Å; P218-Q424 HydrophobicContact CB-CB 4.09Å; P218-Q424 HydrophobicContact CG-CB 3.91Å
219	E	56.9	Low	53.5	Low	84 Å²	84	56 Å²	56	39%	0.393	28%	0.283	S	S	.	.	S	Bend	trans	-59.2	-38.9	176.4	-172.2	-178.6	168.8	0	0	110.8	N208 I422	N208-E219 PolarHBondContact N-O 2.96Å; E219-I422 HydrophobicContact CB-CG2 4.14Å; E219-I422 WeakPolarHBondContact CB-O 3.18Å; E219-I422 PolarHBondContact N-O 3.02Å
220	R	58.9	Low	53.5	Low	109 Å²	109	59.8 Å²	59.8	41%	0.411	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	131.5	174.4	-66.8	-175.2	171.5	125.6	-0.6	111.8	L205 E206 E207 P218 I422 L423 Q424	L205-R220 HydrophobicContact CD1-CB 4.2Å; L205-R220 HydrophobicContact CD1-CG 4.43Å; E206-R220 CarbonylContact O-C 3.55Å; E206-R220 VanDerWaalsContact O-CA 3.24Å; E206-R220 WeakPolarHBondContact O-CA 3.29Å; E207-R220 HydrophobicContact CG-CG 4.16Å; E207-R220 IonicContact OE1-CZ 2.94Å; E207-R220 IonicContact OE1-NE 2.69Å; E207-R220 PolarHBondContact OE1-NE 3Å; E207-R220 IonicContact OE1-NH2 3.88Å; E207-R220 PolarHBondContact OE1-NH2 3.28Å; P218-R220 PolarHBondContact O-N 3.41Å; R220-I422 PolarHBondContact N-O 3.09Å; R220-I422 VanDerWaalsContact N-O 3.09Å; R220-L423 HydrophobicContact CB-CD1 3.76Å; R220-L423 VanDerWaalsContact O-CA 3.32Å; R220-L423 WeakPolarHBondContact O-CA 3.13Å; R220-Q424 PolarHBondContact O-N 3.1Å
221	T	59	Low	54.1	Low	3 Å²	3	59.4 Å²	59.4	2%	0.018	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	127.4	168.6	-50.3	0	0	0	0	108.7	L205 E206 P218 Q424	L205-T221 CarbonylContact C-O 3.59Å; L205-T221 WeakPolarHBondContact CA-O 3.46Å; E206-T221 PolarHBondContact N-O 2.82Å; E206-T221 PolarHBondContact O-N 3.12Å; P218-T221 VanDerWaalsContact CG-OG1 3.31Å; P218-T221 WeakPolarHBondContact CG-OG1 3.39Å; T221-Q424 CarbonylContact C-O 3.58Å; T221-Q424 WeakPolarHBondContact CA-O 3.24Å; T221-Q424 HydrophobicContact CG2-CB 4.17Å; T221-Q424 HydrophobicContact CG2-CG 4.36Å
222	L	60.8	Low	54.7	Low	39 Å²	39	59.6 Å²	59.6	20%	0.204	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	113.2	169.7	-72	99	0	0	0	109.5	I203 R204 L205 L423 Q424 L425 R426	I203-L222 HydrophobicContact CG2-CD2 4.42Å; R204-L222 CarbonylContact O-C 3.53Å; R204-L222 WeakPolarHBondContact O-CA 3.3Å; L205-L222 HydrophobicContact CD1-CD1 3.93Å; L205-L222 HydrophobicContact CD1-CD2 4.34Å; L205-L222 HydrophobicContact CD1-CG 3.77Å; L222-L423 HydrophobicContact CD1-CD1 3.41Å; L222-L423 VanDerWaalsContact CD1-CD1 3.41Å; L222-L423 HydrophobicContact CD1-CG 4.18Å; L222-Q424 PolarHBondContact N-O 3.29Å; L222-L425 HydrophobicContact CB-CD1 4.23Å; L222-L425 CarbonylContact O-C 3.34Å; L222-L425 WeakPolarHBondContact O-CA 3.18Å; L222-R426 PolarHBondContact O-N 2.81Å
223	D	60.4	Low	55.9	Low	22 Å²	22	54.9 Å²	54.9	12%	0.118	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	114.4	168.3	-73.4	-20.4	0	0	0	108.2	I203 R204 R426	I203-D223 CarbonylContact C-O 3.57Å; I203-D223 WeakPolarHBondContact CA-O 3.36Å; R204-D223 HydrophobicContact CB-CB 4.08Å; R204-D223 PolarHBondContact N-O 2.79Å; R204-D223 PolarHBondContact O-N 2.81Å; D223-R426 VanDerWaalsContact OD1-CB 3.24Å; D223-R426 WeakPolarHBondContact OD1-CB 3.37Å; D223-R426 WeakPolarHBondContact OD1-CD 3.35Å; D223-R426 WeakPolarHBondContact OD1-CG 3.45Å; D223-R426 IonicContact OD1-CZ 3.19Å; D223-R426 IonicContact OD1-NE 3.81Å; D223-R426 IonicContact OD1-NH1 3.16Å; D223-R426 PolarHBondContact OD1-NH1 3.24Å; D223-R426 IonicContact OD2-NH1 3.8Å; D223-R426 PolarHBondContact OD2-NH1 3.49Å
224	I	67.3	Low	56.5	Low	29 Å²	29	55.5 Å²	55.5	15%	0.149	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	123.3	-178.7	-52.4	-179.3	0	0	0	108.6	L201 K202 I203 I226 L425 R426 L427 R428	L201-I224 HydrophobicContact CD1-CG2 3.41Å; L201-I224 VanDerWaalsContact CD1-CG2 3.41Å; K202-I224 CarbonylContact O-C 3.59Å; K202-I224 WeakPolarHBondContact O-CA 3.29Å; I203-I224 HydrophobicContact CG1-CG1 4.35Å; I203-I224 HydrophobicContact CG1-CG2 4.24Å; I203-I224 HydrophobicContact CG2-CG1 4.3Å; I224-I226 HydrophobicContact CG2-CD1 4.22Å; I224-I226 HydrophobicContact CG2-CG1 4.02Å; I224-L425 HydrophobicContact CD1-CD1 4.09Å; I224-R426 PolarHBondContact N-O 3.4Å; I224-L427 HydrophobicContact CB-CD2 3.79Å; I224-L427 HydrophobicContact CD1-CD2 3.85Å; I224-L427 HydrophobicContact CG1-CD2 4.18Å; I224-L427 HydrophobicContact CG2-CD2 4.34Å; I224-R428 PolarHBondContact O-N 2.79Å
225	D	63.6	Low	57.4	Low	47 Å²	47	56.7 Å²	56.7	25%	0.251	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	122.9	176.1	-173.4	11.5	0	0	0	109.9	L201 K202 R428	L201-D225 WeakPolarHBondContact CA-O 3.23Å; K202-D225 HydrophobicContact CB-CB 4.25Å; K202-D225 PolarHBondContact N-O 2.91Å; K202-D225 PolarHBondContact O-N 3.34Å; D225-R428 HydrophobicContact CB-CB 4.39Å
226	I	65.9	Low	58.3	Low	21 Å²	21	53.6 Å²	53.6	11%	0.108	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	118.6	-174.8	-60.6	166.2	0	0	0	108.3	I198 L201 I224 L229 R428 L429 N430	I198-I226 HydrophobicContact CG2-CG2 4.23Å; L201-I226 HydrophobicContact CD1-CD1 4.43Å; L201-I226 HydrophobicContact CD1-CG1 3.71Å; I224-I226 HydrophobicContact CG2-CD1 4.22Å; I224-I226 HydrophobicContact CG2-CG1 4.02Å; I226-L229 HydrophobicContact CG2-CB 3.98Å; I226-R428 PolarHBondContact N-O 3.28Å; I226-L429 HydrophobicContact CB-CD2 3.89Å; I226-L429 HydrophobicContact CD1-CD2 3.76Å; I226-L429 HydrophobicContact CG1-CD2 4.38Å; I226-L429 HydrophobicContact CG2-CD2 4.14Å; I226-N430 PolarHBondContact O-N 3.4Å
227	G	62.9	Low	58.9	Low	14 Å²	14	47.4 Å²	47.4	14%	0.144	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	-65.9	-179.9	0	0	0	0	0	112.6	E200 N430 T431	E200-G227 PolarHBondContact O-N 3.3Å; G227-N430 VanDerWaalsContact O-CB 3.3Å; G227-N430 WeakPolarHBondContact O-CB 3.47Å; G227-T431 PolarHBondContact O-N 3.47Å; G227-T431 PolarHBondContact O-OG1 3.25Å
228	F	63.9	Low	59.4	Low	57 Å²	57	47.9 Å²	47.9	25%	0.25	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	125.6	177	174.3	-97.6	0	0	0	108.9	I198 S199 R230 T431 S433	I198-F228 WeakPolarHBondContact CA-O 2.98Å; S199-F228 PolarHBondContact N-O 2.85Å; S199-F228 WeakPolarHBondContact OG-CB 3.2Å; S199-F228 PolarHBondContact OG-N 3.13Å; F228-R230 HydrophobicContact CD1-CB 4.44Å; F228-R230 HydrophobicContact CE1-CB 3.54Å; F228-R230 HydrophobicContact CZ-CB 3.83Å; F228-T431 WeakPolarHBondContact CA-OG1 3.49Å; F228-T431 WeakPolarHBondContact CD2-OG1 3.27Å; F228-S433 WeakPolarHBondContact CZ-OG 3.13Å
229	L	65.5	Low	59.8	Low	25 Å²	25	50.4 Å²	50.4	13%	0.131	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	120.7	173.3	178.9	65.3	0	0	0	108.9	V196 I198 I226 L231 L429 T431 V432 S433	V196-L229 HydrophobicContact CG1-CD1 4.01Å; I198-L229 HydrophobicContact CD1-CD1 4.04Å; I198-L229 HydrophobicContact CG1-CD1 3.53Å; I226-L229 HydrophobicContact CG2-CB 3.98Å; L229-L231 HydrophobicContact CD1-CD2 3.94Å; L229-L231 HydrophobicContact CD1-CG 4.28Å; L229-L231 HydrophobicContact CD2-CD1 4.19Å; L229-L231 HydrophobicContact CD2-CG 4.28Å; L229-L231 HydrophobicContact CG-CD2 4.27Å; L229-L231 HydrophobicContact CG-CG 4.06Å; L229-L429 HydrophobicContact CD2-CD2 4.27Å; L229-T431 PolarHBondContact N-O 3.43Å; L229-T431 VanDerWaalsContact N-O 3.11Å; L229-V432 HydrophobicContact CD2-CG1 4.49Å; L229-V432 WeakPolarHBondContact O-CA 3.48Å; L229-S433 PolarHBondContact O-N 3.49Å; L229-S433 PolarHBondContact O-OG 2.83Å
230	R	57.2	Low	60	Low	97 Å²	97	49.3 Å²	49.3	37%	0.366	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	125.1	169	175.6	-176.7	-67	162.6	-7.1	109.4	V196 E197 F228 S433	V196-R230 WeakPolarHBondContact CA-O 3.44Å; E197-R230 HydrophobicContact CB-CB 4.2Å; E197-R230 PolarHBondContact N-O 3.46Å; E197-R230 PolarHBondContact O-N 3.09Å; E197-R230 IonicContact OE2-CZ 3.02Å; E197-R230 IonicContact OE2-NE 3.19Å; E197-R230 IonicContact OE2-NH1 2.66Å; E197-R230 PolarHBondContact OE2-NH1 3.5Å; F228-R230 HydrophobicContact CD1-CB 4.44Å; F228-R230 HydrophobicContact CE1-CB 3.54Å; F228-R230 HydrophobicContact CZ-CB 3.83Å; R230-S433 WeakPolarHBondContact CA-O 3.28Å; R230-S433 WeakPolarHBondContact CA-OG 3.41Å; R230-S433 WeakPolarHBondContact CB-OG 3.4Å
231	L	61.9	Low	60.1	Low	31 Å²	31	46.3 Å²	46.3	16%	0.162	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	125.9	174.4	-58.9	174.2	0	0	0	109.1	L195 V196 L229 W233 S433 S435	L195-L231 WeakPolarHBondContact O-CA 3.42Å; V196-L231 HydrophobicContact CB-CD2 4.25Å; V196-L231 HydrophobicContact CG1-CD2 4.01Å; V196-L231 HydrophobicContact CG2-CD2 3.74Å; L229-L231 HydrophobicContact CD1-CD2 3.94Å; L229-L231 HydrophobicContact CD1-CG 4.28Å; L229-L231 HydrophobicContact CD2-CD1 4.19Å; L229-L231 HydrophobicContact CD2-CG 4.28Å; L229-L231 HydrophobicContact CG-CD2 4.27Å; L229-L231 HydrophobicContact CG-CG 4.06Å; L231-W233 HydrophobicContact CD1-CZ2 4.27Å; L231-W233 HydrophobicContact CD2-CZ2 4.46Å; L231-S433 PolarHBondContact N-O 2.82Å; L231-S435 PolarHBondContact O-N 2.81Å; L231-S435 PolarHBondContact O-OG 2.8Å
232	K	53.1	Low	60.1	Low	67 Å²	67	50.2 Å²	50.2	29%	0.291	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	127.1	170.8	-61.6	-167.8	172.8	-174.7	0	108.9	K191 C194 L195 S435	K191-K232 PolarHBondContact O-NZ 2.88Å; K191-K232 VanDerWaalsContact O-NZ 3.09Å; C194-K232 WeakPolarHBondContact O-CB 3.49Å; C194-K232 WeakPolarHBondContact O-CD 3.4Å; L195-K232 PolarHBondContact O-N 3.45Å; K232-S435 WeakPolarHBondContact CA-O 3.48Å; K232-S435 WeakPolarHBondContact CG-OG 3.46Å
233	W	60.4	Low	60.2	Low	83 Å²	83	54.2 Å²	54.2	31%	0.314	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	135.8	179.8	-54.4	90.3	0	0	0	110.4	L231 V237 L238 L241 S435 A436 C437	L231-W233 HydrophobicContact CD1-CZ2 4.27Å; L231-W233 HydrophobicContact CD2-CZ2 4.46Å; W233-V237 HydrophobicContact CE3-CG1 4.43Å; W233-L238 HydrophobicContact CD2-CD2 4.38Å; W233-L238 HydrophobicContact CE3-CD2 3.44Å; W233-L238 VanDerWaalsContact CE3-CD2 3.44Å; W233-L238 HydrophobicContact CE3-CG 4.15Å; W233-L238 HydrophobicContact CZ3-CD2 3.78Å; W233-L241 HydrophobicContact CE3-CD1 3.93Å; W233-L241 HydrophobicContact CH2-CD1 4.06Å; W233-L241 HydrophobicContact CZ3-CD1 3.24Å; W233-S435 PolarHBondContact N-O 3.44Å; W233-A436 WeakPolarHBondContact O-CA 3.37Å; W233-C437 PolarHBondContact O-N 3.41Å
234	T	51.6	Low	60.4	Low	26 Å²	26	57.2 Å²	57.2	16%	0.16	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	160.1	165.1	56.8	0	0	0	0	108.5	S236 V237 L238 C437	T234-S236 PolarHBondContact O-N 3.33Å; T234-S236 PolarHBondContact OG1-OG 3Å; T234-V237 WeakPolarHBondContact O-CB 3.05Å; T234-V237 PolarHBondContact O-N 2.83Å; T234-V237 VanDerWaalsContact O-N 3.11Å; T234-V237 WeakPolarHBondContact OG1-CB 3.43Å; T234-V237 WeakPolarHBondContact OG1-CG2 3.1Å; T234-V237 PolarHBondContact OG1-N 2.87Å; T234-L238 PolarHBondContact O-N 3.33Å; T234-C437 HydrophobicContact CG2-CB 3.91Å
235	D	56.4	Low	60.1	Low	125 Å²	125	59.3 Å²	59.3	67%	0.668	31%	0.306	S	S	*	.	H	α-helix	trans	-59	-38.1	177.7	-70.1	-17.2	0	0	0	112	L238 S239	D235-L238 PolarHBondContact O-N 3.28Å; D235-S239 PolarHBondContact O-N 3.15Å
236	S	55.7	Low	59.9	Low	31 Å²	31	60.9 Å²	60.9	22%	0.217	32%	0.315	C	S	.	.	H	α-helix	trans	-63	-40.8	175.4	64.2	0	0	0	0	112	R162 T234 S239 D240 E440	R162-S236 VanDerWaalsContact NH1-C 3.34Å; R162-S236 VanDerWaalsContact NH1-CB 3.28Å; R162-S236 PolarHBondContact NH1-OG 3.49Å; R162-S236 PolarHBondContact NH2-O 3.22Å; T234-S236 PolarHBondContact O-N 3.33Å; T234-S236 PolarHBondContact OG1-OG 3Å; S236-S239 PolarHBondContact O-N 3.38Å; S236-D240 PolarHBondContact O-N 2.88Å; S236-D240 VanDerWaalsContact O-N 3.07Å; S236-E440 VanDerWaalsContact OG-CD 3.28Å; S236-E440 PolarHBondContact OG-OE1 2.96Å
237	V	57.9	Low	59.8	Low	5 Å²	5	63.2 Å²	63.2	3%	0.03	33%	0.333	C	S	.	.	H	α-helix	trans	-66.6	-41.2	176.5	165.4	0	0	0	0	111	L195 W233 T234 S239 D240 L241	L195-V237 HydrophobicContact CD1-CG1 4Å; L195-V237 HydrophobicContact CD2-CB 4.14Å; L195-V237 HydrophobicContact CD2-CG1 3.5Å; L195-V237 VanDerWaalsContact CD2-CG1 3.5Å; L195-V237 HydrophobicContact CD2-CG2 3.46Å; L195-V237 VanDerWaalsContact CD2-CG2 3.46Å; L195-V237 HydrophobicContact CG-CG1 4.33Å; W233-V237 HydrophobicContact CE3-CG1 4.43Å; T234-V237 WeakPolarHBondContact O-CB 3.05Å; T234-V237 PolarHBondContact O-N 2.83Å; T234-V237 VanDerWaalsContact O-N 3.11Å; T234-V237 WeakPolarHBondContact OG1-CB 3.43Å; T234-V237 WeakPolarHBondContact OG1-CG2 3.1Å; T234-V237 PolarHBondContact OG1-N 2.87Å; V237-S239 VanDerWaalsContact C-N 3.34Å; V237-D240 PolarHBondContact O-N 3.32Å; V237-L241 HydrophobicContact CG1-CD1 3.74Å; V237-L241 HydrophobicContact CG1-CG 4.25Å; V237-L241 WeakPolarHBondContact O-CB 3.33Å; V237-L241 VanDerWaalsContact O-CG 3.28Å; V237-L241 WeakPolarHBondContact O-CG 3.32Å; V237-L241 PolarHBondContact O-N 3.34Å
238	L	56.7	Low	59.6	Low	81 Å²	81	68 Å²	68	42%	0.424	35%	0.35	S	S	.	.	H	α-helix	trans	-62.4	-43.1	177.6	-74.9	170.5	0	0	0	111.1	W233 T234 D235 L241 V242	W233-L238 HydrophobicContact CD2-CD2 4.38Å; W233-L238 HydrophobicContact CE3-CD2 3.44Å; W233-L238 VanDerWaalsContact CE3-CD2 3.44Å; W233-L238 HydrophobicContact CE3-CG 4.15Å; W233-L238 HydrophobicContact CZ3-CD2 3.78Å; T234-L238 PolarHBondContact O-N 3.33Å; D235-L238 PolarHBondContact O-N 3.28Å; L238-L241 PolarHBondContact O-N 2.85Å; L238-V242 WeakPolarHBondContact O-CG2 3.42Å; L238-V242 PolarHBondContact O-N 3.09Å
239	S	59.2	Low	59.4	Low	63 Å²	63	66.9 Å²	66.9	44%	0.441	35%	0.346	S	S	.	.	H	α-helix	trans	-58.9	-49.8	174.4	-167.7	0	0	0	0	111.6	D235 S236 V237 L241 V242 E243	D235-S239 PolarHBondContact O-N 3.15Å; S236-S239 PolarHBondContact O-N 3.38Å; V237-S239 VanDerWaalsContact C-N 3.34Å; S239-L241 VanDerWaalsContact C-N 3.32Å; S239-L241 PolarHBondContact O-N 3.23Å; S239-V242 WeakPolarHBondContact O-CB 3.31Å; S239-V242 PolarHBondContact O-N 3.16Å; S239-E243 PolarHBondContact O-N 3.14Å
240	D	62.6	Low	59	Low	60 Å²	60	67.3 Å²	67.3	32%	0.321	35%	0.346	S	S	.	.	H	α-helix	trans	-62.8	-36.6	178.2	-81.5	32.4	0	0	0	112.9	R162 S236 V237 E243 L244	R162-D240 VanDerWaalsContact CZ-CG 3.46Å; R162-D240 IonicContact CZ-OD1 3.99Å; R162-D240 IonicContact CZ-OD2 3.51Å; R162-D240 IonicContact NE-OD2 3.02Å; R162-D240 PolarHBondContact NE-OD2 3.08Å; R162-D240 IonicContact NH2-OD1 3.03Å; R162-D240 PolarHBondContact NH2-OD1 3.45Å; R162-D240 IonicContact NH2-OD2 3.75Å; R162-D240 PolarHBondContact NH2-OD2 2.61Å; S236-D240 PolarHBondContact O-N 2.88Å; S236-D240 VanDerWaalsContact O-N 3.07Å; V237-D240 PolarHBondContact O-N 3.32Å; D240-E243 PolarHBondContact O-N 3.5Å; D240-L244 VanDerWaalsContact O-CB 3.27Å; D240-L244 WeakPolarHBondContact O-CB 2.99Å; D240-L244 PolarHBondContact O-N 2.81Å
241	L	60.3	Low	58.8	Low	47 Å²	47	68.2 Å²	68.2	25%	0.246	35%	0.351	C	S	.	.	H	α-helix	trans	-67.9	-37.9	176.4	-77.5	171.6	0	0	0	111.4	W233 V237 L238 S239 L244 I245	W233-L241 HydrophobicContact CE3-CD1 3.93Å; W233-L241 HydrophobicContact CH2-CD1 4.06Å; W233-L241 HydrophobicContact CZ3-CD1 3.24Å; V237-L241 HydrophobicContact CG1-CD1 3.74Å; V237-L241 HydrophobicContact CG1-CG 4.25Å; V237-L241 WeakPolarHBondContact O-CB 3.33Å; V237-L241 VanDerWaalsContact O-CG 3.28Å; V237-L241 WeakPolarHBondContact O-CG 3.32Å; V237-L241 PolarHBondContact O-N 3.34Å; L238-L241 PolarHBondContact O-N 2.85Å; S239-L241 VanDerWaalsContact C-N 3.32Å; S239-L241 PolarHBondContact O-N 3.23Å; L241-L244 HydrophobicContact CD2-CD2 4.21Å; L241-L244 PolarHBondContact O-N 3.46Å; L241-I245 WeakPolarHBondContact O-CB 3.29Å; L241-I245 WeakPolarHBondContact O-CD1 3.2Å; L241-I245 WeakPolarHBondContact O-CG1 3.13Å; L241-I245 PolarHBondContact O-N 3.31Å
242	V	58.4	Low	58.3	Low	84 Å²	84	69.9 Å²	69.9	51%	0.509	36%	0.357	S	S	.	.	H	α-helix	trans	-64.1	-43.4	172.1	171.2	0	0	0	0	110.4	L238 S239 I245 N246	L238-V242 WeakPolarHBondContact O-CG2 3.42Å; L238-V242 PolarHBondContact O-N 3.09Å; S239-V242 WeakPolarHBondContact O-CB 3.31Å; S239-V242 PolarHBondContact O-N 3.16Å; V242-I245 PolarHBondContact O-N 3.16Å; V242-N246 WeakPolarHBondContact O-CB 3.25Å; V242-N246 PolarHBondContact O-N 3.49Å; V242-N246 PolarHBondContact O-ND2 3.45Å
243	E	64.4	Low	58.3	Low	124 Å²	124	69.8 Å²	69.8	58%	0.579	36%	0.36	S	S	*	.	H	α-helix	trans	-61.1	-42.3	173.4	-72.2	-175.6	-173.3	0	0	112.4	S239 D240 N246 S247	S239-E243 PolarHBondContact O-N 3.14Å; D240-E243 PolarHBondContact O-N 3.5Å; E243-N246 PolarHBondContact O-N 2.84Å; E243-S247 PolarHBondContact O-N 3.03Å
244	L	64.3	Low	58	Low	85 Å²	85	68.6 Å²	68.6	45%	0.445	36%	0.362	S	S	.	.	H	α-helix	trans	-62.7	-47.5	176	-178.9	68.3	0	0	0	111.2	D240 L241 N246 S247 F248	D240-L244 VanDerWaalsContact O-CB 3.27Å; D240-L244 WeakPolarHBondContact O-CB 2.99Å; D240-L244 PolarHBondContact O-N 2.81Å; L241-L244 HydrophobicContact CD2-CD2 4.21Å; L241-L244 PolarHBondContact O-N 3.46Å; L244-N246 VanDerWaalsContact C-N 3.3Å; L244-N246 PolarHBondContact O-N 3.37Å; L244-S247 WeakPolarHBondContact O-CB 3.35Å; L244-S247 PolarHBondContact O-N 3.28Å; L244-S247 PolarHBondContact O-OG 2.69Å; L244-F248 HydrophobicContact CD1-CE2 3.92Å; L244-F248 HydrophobicContact CD2-CE2 4.5Å; L244-F248 HydrophobicContact CG-CD2 4.39Å; L244-F248 HydrophobicContact CG-CE2 3.88Å; L244-F248 WeakPolarHBondContact O-CD2 3.29Å; L244-F248 PolarHBondContact O-N 3.23Å
245	I	60.9	Low	58.2	Low	72 Å²	72	72 Å²	72	37%	0.369	37%	0.374	S	S	.	.	H	α-helix	trans	-57.8	-46.3	175.1	-70.6	164	0	0	0	109.8	L241 V242 S247 F248	L241-I245 WeakPolarHBondContact O-CB 3.29Å; L241-I245 WeakPolarHBondContact O-CD1 3.2Å; L241-I245 WeakPolarHBondContact O-CG1 3.13Å; L241-I245 PolarHBondContact O-N 3.31Å; V242-I245 PolarHBondContact O-N 3.16Å; I245-S247 VanDerWaalsContact C-N 3.25Å; I245-S247 PolarHBondContact O-N 3.25Å; I245-F248 WeakPolarHBondContact O-CB 3.48Å; I245-F248 PolarHBondContact O-N 3.36Å
246	N	58.1	Low	58.3	Low	81 Å²	81	67.7 Å²	67.7	43%	0.433	35%	0.349	S	S	.	.	H	α-helix	trans	-61.4	-33.2	176.2	-72.6	-36.6	0	0	0	112.4	V242 E243 L244 F248 N249	V242-N246 WeakPolarHBondContact O-CB 3.25Å; V242-N246 PolarHBondContact O-N 3.49Å; V242-N246 PolarHBondContact O-ND2 3.45Å; E243-N246 PolarHBondContact O-N 2.84Å; L244-N246 VanDerWaalsContact C-N 3.3Å; L244-N246 PolarHBondContact O-N 3.37Å; N246-F248 VanDerWaalsContact C-N 3.25Å; N246-F248 PolarHBondContact O-N 2.84Å; N246-N249 WeakPolarHBondContact O-CB 3.37Å; N246-N249 PolarHBondContact O-N 3.41Å; N246-N249 VanDerWaalsContact O-N 3.12Å
247	S	63.7	Low	58.3	Low	69 Å²	69	69.6 Å²	69.6	48%	0.483	35%	0.353	S	S	.	.	H	α-helix	trans	-65.1	-27.9	175.5	84	0	0	0	0	112.9	E243 L244 I245 N249	E243-S247 PolarHBondContact O-N 3.03Å; L244-S247 WeakPolarHBondContact O-CB 3.35Å; L244-S247 PolarHBondContact O-N 3.28Å; L244-S247 PolarHBondContact O-OG 2.69Å; I245-S247 VanDerWaalsContact C-N 3.25Å; I245-S247 PolarHBondContact O-N 3.25Å; S247-N249 VanDerWaalsContact C-N 3.28Å; S247-N249 PolarHBondContact O-N 2.76Å
248	F	60.7	Low	58.5	Low	116 Å²	116	76.9 Å²	76.9	51%	0.509	39%	0.385	S	S	.	.	H	α-helix	trans	-75.6	-13.4	175.2	-75.2	-73.2	0	0	0	113.4	L244 I245 N246 W250	L244-F248 HydrophobicContact CD1-CE2 3.92Å; L244-F248 HydrophobicContact CD2-CE2 4.5Å; L244-F248 HydrophobicContact CG-CD2 4.39Å; L244-F248 HydrophobicContact CG-CE2 3.88Å; L244-F248 WeakPolarHBondContact O-CD2 3.29Å; L244-F248 PolarHBondContact O-N 3.23Å; I245-F248 WeakPolarHBondContact O-CB 3.48Å; I245-F248 PolarHBondContact O-N 3.36Å; N246-F248 VanDerWaalsContact C-N 3.25Å; N246-F248 PolarHBondContact O-N 2.84Å; F248-W250 PolarHBondContact O-N 3.49Å; F248-W250 VanDerWaalsContact O-N 3.08Å
249	N	58.6	Low	58.9	Low	32 Å²	32	76.1 Å²	76.1	17%	0.171	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	4.6	176.9	-65.2	-20.5	0	0	0	113.8	N246 S247 Y251 E252 G469	N246-N249 WeakPolarHBondContact O-CB 3.37Å; N246-N249 PolarHBondContact O-N 3.41Å; N246-N249 VanDerWaalsContact O-N 3.12Å; S247-N249 VanDerWaalsContact C-N 3.28Å; S247-N249 PolarHBondContact O-N 2.76Å; N249-Y251 PolarHBondContact O-N 3.31Å; N249-E252 PolarHBondContact O-N 2.81Å; N249-G469 WeakPolarHBondContact OD1-CA 3.34Å
250	W	57.3	Low	59.3	Low	34 Å²	34	77.3 Å²	77.3	13%	0.129	37%	0.373	C	S	.	.	H	α-helix	trans	-52.3	-24.1	176.4	66.6	-95.3	0	0	0	113.7	K51 P53 M98 F248 E252 D253 V254	K51-W250 WeakPolarHBondContact O-CH2 3.3Å; K51-W250 WeakPolarHBondContact O-CZ2 3.38Å; P53-W250 HydrophobicContact CG-CD2 4.48Å; P53-W250 HydrophobicContact CG-CG 4.37Å; M98-W250 HydrophobicContact CE-CE3 4.41Å; M98-W250 HydrophobicContact CE-CH2 4.17Å; M98-W250 HydrophobicContact CE-CZ3 4.03Å; M98-W250 HydrophobicContact SD-CH2 3.74Å; M98-W250 HydrophobicContact SD-CZ3 3.92Å; F248-W250 PolarHBondContact O-N 3.49Å; F248-W250 VanDerWaalsContact O-N 3.08Å; W250-E252 VanDerWaalsContact C-N 3.31Å; W250-E252 PolarHBondContact O-N 3.35Å; W250-D253 WeakPolarHBondContact O-CB 3.31Å; W250-D253 PolarHBondContact O-N 3.02Å; W250-V254 HydrophobicContact CE3-CG2 3.82Å; W250-V254 HydrophobicContact CZ3-CG2 4.14Å; W250-V254 WeakPolarHBondContact O-CG2 3.13Å; W250-V254 PolarHBondContact O-N 3.23Å
251	Y	52.7	Low	59.7	Low	117 Å²	117	75.3 Å²	75.3	46%	0.459	36%	0.363	S	S	.	.	H	α-helix	trans	-64.2	-35.2	177	-158.5	-89.3	0	0	0	112.5	N249 P471	N249-Y251 PolarHBondContact O-N 3.31Å; Y251-P471 HydrophobicContact CD1-CG 3.82Å; Y251-P471 HydrophobicContact CE1-CG 3.93Å
252	E	51.8	Low	60.2	Low	66 Å²	66	81.2 Å²	81.2	31%	0.308	40%	0.395	S	S	.	.	H	α-helix	trans	-71.4	-40.2	174.6	-61.1	-153.3	138	0	0	111.3	N249 W250 V254 K255 Y256	N249-E252 PolarHBondContact O-N 2.81Å; W250-E252 VanDerWaalsContact C-N 3.31Å; W250-E252 PolarHBondContact O-N 3.35Å; E252-V254 VanDerWaalsContact C-N 3.29Å; E252-V254 PolarHBondContact O-N 2.83Å; E252-K255 WeakPolarHBondContact O-CB 3.38Å; E252-K255 PolarHBondContact O-N 3.19Å; E252-K255 VanDerWaalsContact O-N 3.15Å; E252-Y256 VanDerWaalsContact O-CD2 3.27Å; E252-Y256 WeakPolarHBondContact O-CD2 3.25Å
253	D	53.3	Low	60.9	Low	65 Å²	65	80.5 Å²	80.5	35%	0.348	39%	0.388	S	S	.	.	H	α-helix	trans	-58.3	-40.8	175.3	-81.1	-29.1	0	0	0	111.8	W250 K255 Y256 K257	W250-D253 WeakPolarHBondContact O-CB 3.31Å; W250-D253 PolarHBondContact O-N 3.02Å; D253-K255 VanDerWaalsContact C-N 3.3Å; D253-K255 PolarHBondContact O-N 3.19Å; D253-Y256 PolarHBondContact O-N 2.93Å; D253-K257 VanDerWaalsContact O-CB 3.32Å; D253-K257 WeakPolarHBondContact O-CB 3.43Å; D253-K257 PolarHBondContact O-N 3.43Å
254	V	53.9	Low	61.3	Low	57 Å²	57	77.5 Å²	77.5	35%	0.345	38%	0.381	S	S	.	.	H	α-helix	trans	-60.4	-38.2	178.2	171.4	0	0	0	0	111.7	W250 E252 Y256	W250-V254 HydrophobicContact CE3-CG2 3.82Å; W250-V254 HydrophobicContact CZ3-CG2 4.14Å; W250-V254 WeakPolarHBondContact O-CG2 3.13Å; W250-V254 PolarHBondContact O-N 3.23Å; E252-V254 VanDerWaalsContact C-N 3.29Å; E252-V254 PolarHBondContact O-N 2.83Å; V254-Y256 PolarHBondContact O-N 2.75Å
255	K	54.5	Low	61.8	Low	97 Å²	97	74.7 Å²	74.7	42%	0.422	37%	0.367	S	S	.	.	H	α-helix	trans	-64.6	-37.7	-177.2	-174	-179	173.7	-160.6	0	113	E252 D253 N283	E252-K255 WeakPolarHBondContact O-CB 3.38Å; E252-K255 PolarHBondContact O-N 3.19Å; E252-K255 VanDerWaalsContact O-N 3.15Å; D253-K255 VanDerWaalsContact C-N 3.3Å; D253-K255 PolarHBondContact O-N 3.19Å; K255-N283 PolarHBondContact NZ-OD1 3.22Å; K255-N283 VanDerWaalsContact NZ-OD1 3.09Å
256	Y	59.2	Low	62.2	Low	35 Å²	35	78.8 Å²	78.8	14%	0.137	39%	0.387	C	S	.	.	H	α-helix	trans	-103.8	-6.4	-175.8	-51.6	-70.9	0	0	0	114.1	E252 D253 V254 K258 F259 F275 C279 N283	E252-Y256 VanDerWaalsContact O-CD2 3.27Å; E252-Y256 WeakPolarHBondContact O-CD2 3.25Å; D253-Y256 PolarHBondContact O-N 2.93Å; V254-Y256 PolarHBondContact O-N 2.75Å; Y256-K258 PolarHBondContact O-N 2.9Å; Y256-F259 PolarHBondContact O-N 2.97Å; Y256-F275 WeakPolarHBondContact O-CE2 3.32Å; Y256-C279 VanDerWaalsContact CB-SG 3.57Å; Y256-C279 HydrophobicContact CD1-CB 4.02Å; Y256-C279 HydrophobicContact CG-CB 4.24Å; Y256-N283 PolarHBondContact OH-ND2 3.47Å; Y256-N283 PolarHBondContact OH-OD1 3.16Å
257	K	56.5	Low	63.1	Low	71 Å²	71	82.4 Å²	82.4	31%	0.309	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	-56.1	-28	-176	-155.7	170.9	179.5	119.5	0	114.4	R99 D253 F259 R260	R99-K257 HydrophobicContact CG-CD 4.08Å; R99-K257 VanDerWaalsContact NH1-NZ 3.14Å; D253-K257 VanDerWaalsContact O-CB 3.32Å; D253-K257 WeakPolarHBondContact O-CB 3.43Å; D253-K257 PolarHBondContact O-N 3.43Å; K257-F259 PolarHBondContact O-N 2.94Å; K257-F259 VanDerWaalsContact O-N 3.07Å; K257-R260 HydrophobicContact CG-CB 4.42Å; K257-R260 WeakPolarHBondContact O-CB 3.44Å; K257-R260 PolarHBondContact O-N 3.07Å
258	K	62.3	Low	63.9	Low	159 Å²	159	80.2 Å²	80.2	69%	0.691	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-56.1	-23	174.1	58.9	173.3	166.7	174.9	0	114.2	Y256	Y256-K258 PolarHBondContact O-N 2.9Å
259	F	65	Low	64.8	Low	64 Å²	64	77.4 Å²	77.4	28%	0.281	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-100.1	-7.9	179.6	-53	-57.4	0	0	0	112.6	Y256 K257 F275 T278 T282	Y256-F259 PolarHBondContact O-N 2.97Å; K257-F259 PolarHBondContact O-N 2.94Å; K257-F259 VanDerWaalsContact O-N 3.07Å; F259-F275 HydrophobicContact CB-CD2 3.58Å; F259-F275 HydrophobicContact CB-CE2 4Å; F259-F275 WeakPolarHBondContact O-CD2 3.41Å; F259-T278 HydrophobicContact CB-CG2 4.36Å; F259-T278 HydrophobicContact CD1-CG2 3.55Å; F259-T278 HydrophobicContact CD2-CG2 3.96Å; F259-T278 HydrophobicContact CE1-CG2 3.63Å; F259-T278 HydrophobicContact CE2-CG2 4.01Å; F259-T278 HydrophobicContact CG-CG2 3.7Å; F259-T278 HydrophobicContact CZ-CG2 3.83Å; F259-T282 HydrophobicContact CE2-CG2 4.23Å; F259-T282 WeakPolarHBondContact CE2-OG1 3.33Å; F259-T282 HydrophobicContact CZ-CG2 4.39Å
260	R	66.4	Low	65.9	Low	89 Å²	89	86 Å²	86	34%	0.336	41%	0.407	S	S	.	.			trans	-75.8	128.3	-169.1	-170.1	171.5	-178.6	144.1	-3.1	110.7	K257 W272 F275	K257-R260 HydrophobicContact CG-CB 4.42Å; K257-R260 WeakPolarHBondContact O-CB 3.44Å; K257-R260 PolarHBondContact O-N 3.07Å; R260-W272 HydrophobicContact CG-CH2 4.24Å; R260-F275 HydrophobicContact CB-CD2 4.21Å; R260-F275 HydrophobicContact CB-CE2 3.78Å; R260-F275 HydrophobicContact CB-CZ 4.06Å; R260-F275 HydrophobicContact CG-CE1 4.43Å; R260-F275 HydrophobicContact CG-CE2 4.36Å; R260-F275 HydrophobicContact CG-CZ 4.18Å
261	P	71.7	Confident	67	Low	18 Å²	18	88.8 Å²	88.8	12%	0.117	42%	0.421	C	S	.	.			trans	-66.5	148.4	175.6	-17.3	32.1	0	0	0	111.1	E271 W272 F275	P261-E271 HydrophobicContact CB-CB 3.97Å; P261-E271 HydrophobicContact CG-CB 3.74Å; P261-W272 HydrophobicContact CG-CD2 4.26Å; P261-W272 HydrophobicContact CG-CG 4.18Å; P261-F275 HydrophobicContact CG-CB 4.09Å
262	N	70.1	Confident	68.3	Low	170 Å²	170	84.4 Å²	84.4	91%	0.909	40%	0.404	S	S	*	.	S	Bend	trans	-78.3	-23.1	176.4	-70.6	-27	0	0	0	112.5
263	D	72.9	Confident	69.7	Low	69 Å²	69	87.1 Å²	87.1	37%	0.369	41%	0.411	S	S	.	.	S	Bend	trans	-81.9	157.2	-177.4	-69.2	-40.5	0	0	0	113.1	K267 S268 W272	D263-K267 HydrophobicContact CB-CB 4.19Å; D263-S268 WeakPolarHBondContact CB-OG 3.44Å; D263-S268 PolarHBondContact OD2-OG 3.46Å; D263-W272 PolarHBondContact O-NE1 2.7Å
264	S	74.4	Confident	71.1	Confident	61 Å²	61	91.2 Å²	91.2	43%	0.427	43%	0.426	S	S	.	.			trans	-65.6	153.5	172.7	72.7	0	0	0	0	111.4	M266 K267 S268	S264-M266 PolarHBondContact O-N 3.02Å; S264-M266 VanDerWaalsContact O-N 3.09Å; S264-K267 PolarHBondContact O-N 3.14Å; S264-K267 WeakPolarHBondContact OG-CG 3.5Å; S264-S268 PolarHBondContact O-N 2.89Å
265	V	74.4	Confident	72.2	Confident	27 Å²	27	89.2 Å²	89.2	16%	0.164	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-35.9	-179.4	-175.1	0	0	0	0	112	P269 W272	V265-P269 WeakPolarHBondContact O-CA 3.48Å; V265-W272 HydrophobicContact CB-CG 4.43Å; V265-W272 HydrophobicContact CG1-CG 4.41Å; V265-W272 HydrophobicContact CG2-CD2 3.77Å; V265-W272 HydrophobicContact CG2-CE3 4.16Å; V265-W272 HydrophobicContact CG2-CG 4.15Å; V265-W272 HydrophobicContact CG2-CH2 4.35Å; V265-W272 HydrophobicContact CG2-CZ2 4.01Å; V265-W272 HydrophobicContact CG2-CZ3 4.43Å
266	M	68.2	Low	73.3	Confident	157 Å²	157	86.1 Å²	86.1	77%	0.773	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-29.8	-179.4	-61.5	-63.8	-94.6	0	0	113.4	S264	S264-M266 PolarHBondContact O-N 3.02Å; S264-M266 VanDerWaalsContact O-N 3.09Å
267	K	77.9	Confident	74.3	Confident	158 Å²	158	87.8 Å²	87.8	69%	0.687	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-42.4	179	-76	-179	178.2	-175.5	0	111.9	D263 S264	D263-K267 HydrophobicContact CB-CB 4.19Å; S264-K267 PolarHBondContact O-N 3.14Å; S264-K267 WeakPolarHBondContact OG-CG 3.5Å
268	S	79.5	Confident	75.2	Confident	23 Å²	23	86.5 Å²	86.5	16%	0.161	42%	0.417	C	S	.	.			trans	-134.4	59.2	-169.2	-52.5	0	0	0	0	112.3	D263 S264 R270 E271 W272	D263-S268 WeakPolarHBondContact CB-OG 3.44Å; D263-S268 PolarHBondContact OD2-OG 3.46Å; S264-S268 PolarHBondContact O-N 2.89Å; S268-R270 PolarHBondContact O-N 3.36Å; S268-R270 VanDerWaalsContact O-N 3.14Å; S268-E271 PolarHBondContact O-N 2.78Å; S268-W272 PolarHBondContact O-N 3.39Å
269	P	80.3	Confident	75.4	Confident	57 Å²	57	79.7 Å²	79.7	37%	0.37	39%	0.39	S	S	.	.	H	α-helix	trans	-59.4	-33	-173.4	22.2	-33	0	0	0	112.9	V265 E271 W272 W273	V265-P269 WeakPolarHBondContact O-CA 3.48Å; P269-E271 PolarHBondContact O-N 3.41Å; P269-W272 PolarHBondContact O-N 2.89Å; P269-W273 PolarHBondContact O-N 2.76Å
270	R	82.8	Confident	75.6	Confident	211 Å²	211	79 Å²	79	80%	0.796	39%	0.389	S	S	*	.	H	α-helix	trans	-64.3	-36.3	176.4	-74.6	-176.1	172.9	179.7	-1.9	113.2	S268 W273 K274	S268-R270 PolarHBondContact O-N 3.36Å; S268-R270 VanDerWaalsContact O-N 3.14Å; R270-W273 PolarHBondContact O-N 3.26Å; R270-K274 WeakPolarHBondContact O-CG 3.45Å; R270-K274 PolarHBondContact O-N 3.2Å
271	E	78.8	Confident	75.9	Confident	93 Å²	93	78.3 Å²	78.3	44%	0.435	39%	0.391	S	S	.	.	H	α-helix	trans	-71.7	-37.5	178.2	-61.8	-168.5	155.1	0	0	111	P261 S268 P269 K274 F275	P261-E271 HydrophobicContact CB-CB 3.97Å; P261-E271 HydrophobicContact CG-CB 3.74Å; S268-E271 PolarHBondContact O-N 2.78Å; P269-E271 PolarHBondContact O-N 3.41Å; E271-K274 PolarHBondContact O-N 3.3Å; E271-F275 WeakPolarHBondContact O-CB 3.27Å; E271-F275 PolarHBondContact O-N 3.14Å
272	W	80.2	Confident	75.6	Confident	25 Å²	25	78.5 Å²	78.5	10%	0.095	39%	0.392	C	S	.	.	H	α-helix	trans	-64.4	-38.6	172.7	-80	90.7	0	0	0	112.8	R260 P261 D263 V265 S268 P269 F275 A276	R260-W272 HydrophobicContact CG-CH2 4.24Å; P261-W272 HydrophobicContact CG-CD2 4.26Å; P261-W272 HydrophobicContact CG-CG 4.18Å; D263-W272 PolarHBondContact O-NE1 2.7Å; V265-W272 HydrophobicContact CB-CG 4.43Å; V265-W272 HydrophobicContact CG1-CG 4.41Å; V265-W272 HydrophobicContact CG2-CD2 3.77Å; V265-W272 HydrophobicContact CG2-CE3 4.16Å; V265-W272 HydrophobicContact CG2-CG 4.15Å; V265-W272 HydrophobicContact CG2-CH2 4.35Å; V265-W272 HydrophobicContact CG2-CZ2 4.01Å; V265-W272 HydrophobicContact CG2-CZ3 4.43Å; S268-W272 PolarHBondContact O-N 3.39Å; P269-W272 PolarHBondContact O-N 2.89Å; W272-F275 AromaticContact CE3-CD1 3.9Å; W272-F275 HydrophobicContact CE3-CD1 3.9Å; W272-F275 HydrophobicContact CE3-CE1 4.32Å; W272-F275 HydrophobicContact CZ3-CD1 4.14Å; W272-F275 HydrophobicContact CZ3-CE1 4.12Å; W272-F275 WeakPolarHBondContact O-CB 3.4Å; W272-F275 PolarHBondContact O-N 2.97Å; W272-A276 WeakPolarHBondContact O-CB 3.4Å; W272-A276 PolarHBondContact O-N 3.43Å
273	W	82.2	Confident	75.2	Confident	124 Å²	124	72.5 Å²	72.5	47%	0.47	36%	0.36	S	S	.	.	H	α-helix	trans	-64.3	-46.9	170.7	-83.8	108.8	0	0	0	112.2	P269 R270 F275 A276 T277 M643	P269-W273 PolarHBondContact O-N 2.76Å; R270-W273 PolarHBondContact O-N 3.26Å; W273-F275 VanDerWaalsContact C-N 3.26Å; W273-F275 PolarHBondContact O-N 2.8Å; W273-A276 PolarHBondContact O-N 3.3Å; W273-T277 WeakPolarHBondContact O-CB 3.24Å; W273-T277 PolarHBondContact O-N 3.49Å; W273-T277 PolarHBondContact O-OG1 3Å; W273-M643 HydrophobicContact CZ2-SD 4.32Å
274	K	81.5	Confident	74.6	Confident	150 Å²	150	72.2 Å²	72.2	65%	0.652	36%	0.363	S	S	*	.	H	α-helix	trans	-57.1	-41.1	174.1	-77.4	179.4	-179.9	179.1	0	111.7	R270 E271 T278	R270-K274 WeakPolarHBondContact O-CG 3.45Å; R270-K274 PolarHBondContact O-N 3.2Å; E271-K274 PolarHBondContact O-N 3.3Å; K274-T278 VanDerWaalsContact O-CB 3.27Å; K274-T278 WeakPolarHBondContact O-CB 3.48Å; K274-T278 PolarHBondContact O-N 3.44Å; K274-T278 PolarHBondContact O-OG1 3.45Å
275	F	77.6	Confident	74.2	Confident	15 Å²	15	76.1 Å²	76.1	7%	0.066	37%	0.368	C	S	.	.	H	α-helix	trans	-60	-54.1	174.7	165.1	-114	0	0	0	111.7	Y256 F259 R260 P261 E271 W272 W273 T277 T278 C279	Y256-F275 WeakPolarHBondContact O-CE2 3.32Å; F259-F275 HydrophobicContact CB-CD2 3.58Å; F259-F275 HydrophobicContact CB-CE2 4Å; F259-F275 WeakPolarHBondContact O-CD2 3.41Å; R260-F275 HydrophobicContact CB-CD2 4.21Å; R260-F275 HydrophobicContact CB-CE2 3.78Å; R260-F275 HydrophobicContact CB-CZ 4.06Å; R260-F275 HydrophobicContact CG-CE1 4.43Å; R260-F275 HydrophobicContact CG-CE2 4.36Å; R260-F275 HydrophobicContact CG-CZ 4.18Å; P261-F275 HydrophobicContact CG-CB 4.09Å; E271-F275 WeakPolarHBondContact O-CB 3.27Å; E271-F275 PolarHBondContact O-N 3.14Å; W272-F275 AromaticContact CE3-CD1 3.9Å; W272-F275 HydrophobicContact CE3-CD1 3.9Å; W272-F275 HydrophobicContact CE3-CE1 4.32Å; W272-F275 HydrophobicContact CZ3-CD1 4.14Å; W272-F275 HydrophobicContact CZ3-CE1 4.12Å; W272-F275 WeakPolarHBondContact O-CB 3.4Å; W272-F275 PolarHBondContact O-N 2.97Å; W273-F275 VanDerWaalsContact C-N 3.26Å; W273-F275 PolarHBondContact O-N 2.8Å; F275-T277 VanDerWaalsContact C-N 3.34Å; F275-T277 PolarHBondContact O-N 2.84Å; F275-T278 PolarHBondContact O-N 2.93Å; F275-T278 VanDerWaalsContact O-N 3.1Å; F275-C279 VanDerWaalsContact CD2-SG 3.58Å; F275-C279 WeakPolarHBondContact CE2-SG 3.32Å; F275-C279 PolarHBondContact O-N 2.91Å; F275-C279 PolarHBondContact O-SG 2.69Å
276	A	78.2	Confident	73.4	Confident	33 Å²	33	78.1 Å²	78.1	27%	0.273	38%	0.378	S	S	.	.	H	α-helix	trans	-57.2	-47.2	178.8	0	0	0	0	0	111.5	W272 W273 T278 C279 I280	W272-A276 WeakPolarHBondContact O-CB 3.4Å; W272-A276 PolarHBondContact O-N 3.43Å; W273-A276 PolarHBondContact O-N 3.3Å; A276-T278 VanDerWaalsContact C-N 3.34Å; A276-T278 PolarHBondContact O-N 3.44Å; A276-C279 PolarHBondContact O-N 3.22Å; A276-I280 WeakPolarHBondContact O-CG1 3.44Å; A276-I280 PolarHBondContact O-N 2.98Å; A276-I280 VanDerWaalsContact O-N 3.11Å
277	T	78.8	Confident	72.8	Confident	69 Å²	69	74.9 Å²	74.9	42%	0.423	36%	0.359	S	S	.	.	H	α-helix	trans	-60.7	-42.9	175.6	-51.9	0	0	0	0	111.4	W273 F275 C279 I280 L281	W273-T277 WeakPolarHBondContact O-CB 3.24Å; W273-T277 PolarHBondContact O-N 3.49Å; W273-T277 PolarHBondContact O-OG1 3Å; F275-T277 VanDerWaalsContact C-N 3.34Å; F275-T277 PolarHBondContact O-N 2.84Å; T277-C279 PolarHBondContact O-N 3.47Å; T277-I280 PolarHBondContact O-N 3.46Å; T277-L281 HydrophobicContact CG2-CD1 3.74Å; T277-L281 HydrophobicContact CG2-CG 4.08Å; T277-L281 WeakPolarHBondContact O-CB 3.5Å; T277-L281 WeakPolarHBondContact O-CG 3.29Å; T277-L281 PolarHBondContact O-N 2.97Å
278	T	75.7	Confident	71.7	Confident	44 Å²	44	77.3 Å²	77.3	27%	0.27	36%	0.364	S	S	.	.	H	α-helix	trans	-66.2	-38.2	179.3	-55.8	0	0	0	0	111.6	F259 K274 F275 A276 T282	F259-T278 HydrophobicContact CB-CG2 4.36Å; F259-T278 HydrophobicContact CD1-CG2 3.55Å; F259-T278 HydrophobicContact CD2-CG2 3.96Å; F259-T278 HydrophobicContact CE1-CG2 3.63Å; F259-T278 HydrophobicContact CE2-CG2 4.01Å; F259-T278 HydrophobicContact CG-CG2 3.7Å; F259-T278 HydrophobicContact CZ-CG2 3.83Å; K274-T278 VanDerWaalsContact O-CB 3.27Å; K274-T278 WeakPolarHBondContact O-CB 3.48Å; K274-T278 PolarHBondContact O-N 3.44Å; K274-T278 PolarHBondContact O-OG1 3.45Å; F275-T278 PolarHBondContact O-N 2.93Å; F275-T278 VanDerWaalsContact O-N 3.1Å; A276-T278 VanDerWaalsContact C-N 3.34Å; A276-T278 PolarHBondContact O-N 3.44Å; T278-T282 VanDerWaalsContact O-CB 3.25Å; T278-T282 WeakPolarHBondContact O-CB 3.39Å; T278-T282 PolarHBondContact O-N 3.04Å; T278-T282 PolarHBondContact O-OG1 2.81Å
279	C	67.8	Low	70.4	Confident	16 Å²	16	83.7 Å²	83.7	11%	0.108	39%	0.385	C	S	.	.	H	α-helix	trans	-62.2	-49.5	176.5	-63.4	0	0	0	0	111.5	Y256 F275 A276 T277 T282 N283	Y256-C279 VanDerWaalsContact CB-SG 3.57Å; Y256-C279 HydrophobicContact CD1-CB 4.02Å; Y256-C279 HydrophobicContact CG-CB 4.24Å; F275-C279 VanDerWaalsContact CD2-SG 3.58Å; F275-C279 WeakPolarHBondContact CE2-SG 3.32Å; F275-C279 PolarHBondContact O-N 2.91Å; F275-C279 PolarHBondContact O-SG 2.69Å; A276-C279 PolarHBondContact O-N 3.22Å; T277-C279 PolarHBondContact O-N 3.47Å; C279-T282 PolarHBondContact O-N 2.89Å; C279-N283 PolarHBondContact O-N 3.03Å; C279-N283 VanDerWaalsContact O-N 3.1Å
280	I	69.1	Low	69.1	Low	51 Å²	51	81.7 Å²	81.7	26%	0.262	37%	0.373	S	S	.	.	H	α-helix	trans	-63.1	-49.2	177.8	-63.1	168.4	0	0	0	109.9	A276 T277 T282 N283 C284 L657	A276-I280 WeakPolarHBondContact O-CG1 3.44Å; A276-I280 PolarHBondContact O-N 2.98Å; A276-I280 VanDerWaalsContact O-N 3.11Å; T277-I280 PolarHBondContact O-N 3.46Å; I280-T282 VanDerWaalsContact C-N 3.3Å; I280-T282 PolarHBondContact O-N 2.87Å; I280-N283 PolarHBondContact O-N 3.26Å; I280-C284 PolarHBondContact O-N 3.46Å; I280-C284 PolarHBondContact O-SG 2.89Å; I280-C284 VanDerWaalsContact O-SG 3.41Å; I280-L657 HydrophobicContact CD1-CD1 4.15Å
281	L	72.4	Confident	67.4	Low	74 Å²	74	73.9 Å²	73.9	39%	0.387	36%	0.359	S	S	.	.	H	α-helix	trans	-61.8	-35.6	177.7	-74.8	178.6	0	0	0	112.3	T277 C284 R285	T277-L281 HydrophobicContact CG2-CD1 3.74Å; T277-L281 HydrophobicContact CG2-CG 4.08Å; T277-L281 WeakPolarHBondContact O-CB 3.5Å; T277-L281 WeakPolarHBondContact O-CG 3.29Å; T277-L281 PolarHBondContact O-N 2.97Å; L281-C284 PolarHBondContact O-N 3.34Å; L281-R285 WeakPolarHBondContact O-CA 3.33Å; L281-R285 WeakPolarHBondContact O-CB 3.45Å; L281-R285 WeakPolarHBondContact O-CG 3.35Å; L281-R285 PolarHBondContact O-N 2.86Å
282	T	65.7	Low	66.7	Low	21 Å²	21	71.4 Å²	71.4	13%	0.129	35%	0.351	C	S	.	.	H	α-helix	trans	-68.6	-39	178.2	-55	0	0	0	0	110.4	F259 T278 C279 I280 N286	F259-T282 HydrophobicContact CE2-CG2 4.23Å; F259-T282 WeakPolarHBondContact CE2-OG1 3.33Å; F259-T282 HydrophobicContact CZ-CG2 4.39Å; T278-T282 VanDerWaalsContact O-CB 3.25Å; T278-T282 WeakPolarHBondContact O-CB 3.39Å; T278-T282 PolarHBondContact O-N 3.04Å; T278-T282 PolarHBondContact O-OG1 2.81Å; C279-T282 PolarHBondContact O-N 2.89Å; I280-T282 VanDerWaalsContact C-N 3.3Å; I280-T282 PolarHBondContact O-N 2.87Å; T282-N286 WeakPolarHBondContact O-CB 3.49Å; T282-N286 PolarHBondContact O-N 2.78Å; T282-N286 PolarHBondContact O-ND2 2.82Å; T282-N286 PolarHBondContact O-OD1 3.49Å
283	N	61.7	Low	66	Low	45 Å²	45	77.6 Å²	77.6	24%	0.241	38%	0.375	C	S	.	.	H	α-helix	trans	-67.2	-45.6	172.7	-81.3	-20.2	0	0	0	112.5	K255 Y256 C279 I280 R285 N286 K287	K255-N283 PolarHBondContact NZ-OD1 3.22Å; K255-N283 VanDerWaalsContact NZ-OD1 3.09Å; Y256-N283 PolarHBondContact OH-ND2 3.47Å; Y256-N283 PolarHBondContact OH-OD1 3.16Å; C279-N283 PolarHBondContact O-N 3.03Å; C279-N283 VanDerWaalsContact O-N 3.1Å; I280-N283 PolarHBondContact O-N 3.26Å; N283-R285 VanDerWaalsContact C-N 3.35Å; N283-N286 PolarHBondContact O-N 2.63Å; N283-K287 WeakPolarHBondContact O-CB 3.45Å; N283-K287 VanDerWaalsContact O-CG 3.27Å; N283-K287 WeakPolarHBondContact O-CG 3.24Å; N283-K287 PolarHBondContact O-N 2.77Å
284	C	59.8	Low	65.4	Low	63 Å²	63	77.5 Å²	77.5	43%	0.426	38%	0.383	S	S	.	.	H	α-helix	trans	-65.9	-38.7	177	-67	0	0	0	0	111.6	I280 L281 K287 R288	I280-C284 PolarHBondContact O-N 3.46Å; I280-C284 PolarHBondContact O-SG 2.89Å; I280-C284 VanDerWaalsContact O-SG 3.41Å; L281-C284 PolarHBondContact O-N 3.34Å; C284-K287 PolarHBondContact O-N 3.12Å; C284-R288 WeakPolarHBondContact O-CB 3.32Å; C284-R288 PolarHBondContact O-N 3.11Å
285	R	65.5	Low	64.6	Low	142 Å²	142	73.4 Å²	73.4	54%	0.536	37%	0.368	S	S	.	.	H	α-helix	trans	-63	-51.3	171.7	-77.6	171.5	-176.3	176.7	1.6	109.6	L281 N283 K287 R288 W289	L281-R285 WeakPolarHBondContact O-CA 3.33Å; L281-R285 WeakPolarHBondContact O-CB 3.45Å; L281-R285 WeakPolarHBondContact O-CG 3.35Å; L281-R285 PolarHBondContact O-N 2.86Å; N283-R285 VanDerWaalsContact C-N 3.35Å; R285-K287 VanDerWaalsContact C-N 3.28Å; R285-K287 PolarHBondContact O-N 2.9Å; R285-R288 CarbonylContact O-C 3.6Å; R285-R288 PolarHBondContact O-N 3.5Å; R285-R288 VanDerWaalsContact O-N 3.12Å; R285-W289 WeakPolarHBondContact O-CA 3.27Å; R285-W289 WeakPolarHBondContact O-CB 3.4Å; R285-W289 PolarHBondContact O-N 3.39Å
286	N	58.7	Low	64.1	Low	70 Å²	70	74.3 Å²	74.3	37%	0.374	37%	0.374	S	S	.	.	H	α-helix	trans	-58	-40.8	177.3	-70.9	-12.3	0	0	0	111.9	T282 N283 A290	T282-N286 WeakPolarHBondContact O-CB 3.49Å; T282-N286 PolarHBondContact O-N 2.78Å; T282-N286 PolarHBondContact O-ND2 2.82Å; T282-N286 PolarHBondContact O-OD1 3.49Å; N283-N286 PolarHBondContact O-N 2.63Å; N286-A290 WeakPolarHBondContact O-CB 3.18Å; N286-A290 PolarHBondContact O-N 2.68Å
287	K	55.4	Low	63.9	Low	89 Å²	89	77.8 Å²	77.8	39%	0.387	38%	0.383	S	S	.	.	H	α-helix	trans	-65.3	-43.8	174.5	-75	174.3	175.7	-171.7	0	112.4	N283 C284 R285 A290 G291 F531	N283-K287 WeakPolarHBondContact O-CB 3.45Å; N283-K287 VanDerWaalsContact O-CG 3.27Å; N283-K287 WeakPolarHBondContact O-CG 3.24Å; N283-K287 PolarHBondContact O-N 2.77Å; C284-K287 PolarHBondContact O-N 3.12Å; R285-K287 VanDerWaalsContact C-N 3.28Å; R285-K287 PolarHBondContact O-N 2.9Å; K287-A290 PolarHBondContact O-N 2.71Å; K287-G291 PolarHBondContact O-N 3.21Å; K287-F531 HydrophobicContact CB-CZ 4.29Å; K287-F531 HydrophobicContact CD-CE1 3.75Å; K287-F531 HydrophobicContact CD-CZ 3.88Å; K287-F531 HydrophobicContact CG-CE1 4.2Å; K287-F531 HydrophobicContact CG-CZ 4.22Å
288	R	54.4	Low	63.7	Low	208 Å²	208	79.9 Å²	79.9	79%	0.785	39%	0.388	S	S	*	.	H	α-helix	trans	-71.3	-39	177.9	-172	179.3	-85.3	173.6	-5	111.7	C284 R285 A290 G291 S292	C284-R288 WeakPolarHBondContact O-CB 3.32Å; C284-R288 PolarHBondContact O-N 3.11Å; R285-R288 CarbonylContact O-C 3.6Å; R285-R288 PolarHBondContact O-N 3.5Å; R285-R288 VanDerWaalsContact O-N 3.12Å; R288-A290 VanDerWaalsContact C-N 3.32Å; R288-G291 CarbonylContact O-C 3.58Å; R288-G291 PolarHBondContact O-N 3.18Å; R288-S292 PolarHBondContact O-N 3.35Å
289	W	51.3	Low	63.7	Low	157 Å²	157	80.9 Å²	80.9	60%	0.595	39%	0.387	S	S	*	.	H	α-helix	trans	-63.9	-38.4	173.7	-79.1	41.5	0	0	0	110.8	R285 G291	R285-W289 WeakPolarHBondContact O-CA 3.27Å; R285-W289 WeakPolarHBondContact O-CB 3.4Å; R285-W289 PolarHBondContact O-N 3.39Å; W289-G291 PolarHBondContact O-N 2.66Å
290	A	52.8	Low	64.1	Low	16 Å²	16	81.9 Å²	81.9	13%	0.132	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-11.8	172.7	0	0	0	0	0	113.5	N286 K287 R288 I296 A377	N286-A290 WeakPolarHBondContact O-CB 3.18Å; N286-A290 PolarHBondContact O-N 2.68Å; K287-A290 PolarHBondContact O-N 2.71Å; R288-A290 VanDerWaalsContact C-N 3.32Å; A290-I296 WeakPolarHBondContact O-CD1 3.38Å; A290-A377 HydrophobicContact CB-CB 4.18Å
291	G	48.4	Very low	64.7	Low	47 Å²	47	85.8 Å²	85.8	49%	0.485	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.7	-9.2	179.2	0	0	0	0	0	115.1	K287 R288 W289 W293	K287-G291 PolarHBondContact O-N 3.21Å; R288-G291 CarbonylContact O-C 3.58Å; R288-G291 PolarHBondContact O-N 3.18Å; W289-G291 PolarHBondContact O-N 2.66Å; G291-W293 PolarHBondContact O-N 3.42Å
292	S	64.1	Low	65.2	Low	41 Å²	41	84.3 Å²	84.3	29%	0.287	40%	0.4	S	S	.	.			trans	-77	112.1	174.5	170.7	0	0	0	0	109.3	R288 D294 L295 I296	R288-S292 PolarHBondContact O-N 3.35Å; S292-D294 PolarHBondContact O-N 3.36Å; S292-L295 PolarHBondContact O-N 3.3Å; S292-L295 VanDerWaalsContact O-N 3.13Å; S292-I296 WeakPolarHBondContact O-CG1 3.48Å; S292-I296 PolarHBondContact O-N 3.28Å
293	W	65.2	Low	66.1	Low	154 Å²	154	84.5 Å²	84.5	58%	0.583	40%	0.4	S	S	*	.	H	α-helix	trans	-56.2	-37.1	179.9	-75.8	109.1	0	0	0	112.9	G291 L295 I296 F297	G291-W293 PolarHBondContact O-N 3.42Å; W293-L295 VanDerWaalsContact C-N 3.35Å; W293-L295 PolarHBondContact O-N 3.46Å; W293-I296 HydrophobicContact CE3-CD1 4.33Å; W293-I296 PolarHBondContact O-N 3.05Å; W293-F297 VanDerWaalsContact O-CB 3.26Å; W293-F297 WeakPolarHBondContact O-CB 3.4Å; W293-F297 PolarHBondContact O-N 3.36Å
294	D	69.5	Low	67.2	Low	122 Å²	122	85.9 Å²	85.9	65%	0.652	41%	0.408	S	S	*	.	H	α-helix	trans	-61	-43.2	177.4	-60.3	-38.8	0	0	0	112	S292 F297 Q298	S292-D294 PolarHBondContact O-N 3.36Å; D294-F297 PolarHBondContact O-N 3.03Å; D294-Q298 WeakPolarHBondContact O-CB 3.49Å; D294-Q298 VanDerWaalsContact O-CG 3.24Å; D294-Q298 WeakPolarHBondContact O-CG 3.49Å; D294-Q298 PolarHBondContact O-N 2.95Å
295	L	65	Low	68.5	Low	64 Å²	64	88.4 Å²	88.4	34%	0.335	41%	0.408	S	S	.	.	H	α-helix	trans	-70.8	-39	177.7	-86.3	154.4	0	0	0	112	S292 W293 F297 R299	S292-L295 PolarHBondContact O-N 3.3Å; S292-L295 VanDerWaalsContact O-N 3.13Å; W293-L295 VanDerWaalsContact C-N 3.35Å; W293-L295 PolarHBondContact O-N 3.46Å; L295-F297 VanDerWaalsContact C-N 3.35Å; L295-R299 WeakPolarHBondContact O-CB 3.37Å; L295-R299 PolarHBondContact O-N 3.47Å
296	I	66.5	Low	69.7	Low	35 Å²	35	81.7 Å²	81.7	18%	0.179	38%	0.383	C	S	.	.	H	α-helix	trans	-62	-46.1	173.9	-63.4	169.3	0	0	0	109.8	A290 S292 W293 R299 A300 V381	A290-I296 WeakPolarHBondContact O-CD1 3.38Å; S292-I296 WeakPolarHBondContact O-CG1 3.48Å; S292-I296 PolarHBondContact O-N 3.28Å; W293-I296 HydrophobicContact CE3-CD1 4.33Å; W293-I296 PolarHBondContact O-N 3.05Å; I296-R299 PolarHBondContact O-N 3.07Å; I296-A300 WeakPolarHBondContact O-CB 3.46Å; I296-A300 PolarHBondContact O-N 3.24Å; I296-V381 HydrophobicContact CD1-CG2 4.36Å; I296-V381 HydrophobicContact CG2-CG2 4.18Å
297	F	73.6	Confident	71	Confident	106 Å²	106	78.9 Å²	78.9	47%	0.465	37%	0.369	S	S	.	.	H	α-helix	trans	-62.6	-47.9	178.1	-179.2	-103.5	0	0	0	111.7	W293 D294 L295 R299 A300 R301 W391	W293-F297 VanDerWaalsContact O-CB 3.26Å; W293-F297 WeakPolarHBondContact O-CB 3.4Å; W293-F297 PolarHBondContact O-N 3.36Å; D294-F297 PolarHBondContact O-N 3.03Å; L295-F297 VanDerWaalsContact C-N 3.35Å; F297-R299 VanDerWaalsContact C-N 3.31Å; F297-R299 PolarHBondContact O-N 3.44Å; F297-A300 PolarHBondContact O-N 3.09Å; F297-R301 WeakPolarHBondContact O-CB 3.33Å; F297-R301 PolarHBondContact O-N 2.96Å; F297-W391 AromaticContact CD2-CH2 3.89Å; F297-W391 HydrophobicContact CD2-CH2 3.89Å; F297-W391 AromaticContact CE2-CH2 3.99Å; F297-W391 HydrophobicContact CE2-CH2 3.99Å
298	Q	75.2	Confident	72.5	Confident	113 Å²	113	76.5 Å²	76.5	53%	0.528	37%	0.366	S	S	.	.	H	α-helix	trans	-58.7	-42.5	174.1	-76.8	178.6	2.7	0	0	111.8	D294 R301 N302	D294-Q298 WeakPolarHBondContact O-CB 3.49Å; D294-Q298 VanDerWaalsContact O-CG 3.24Å; D294-Q298 WeakPolarHBondContact O-CG 3.49Å; D294-Q298 PolarHBondContact O-N 2.95Å; Q298-R301 PolarHBondContact O-N 2.61Å; Q298-N302 WeakPolarHBondContact O-CB 3.44Å; Q298-N302 VanDerWaalsContact O-CG 3.24Å; Q298-N302 PolarHBondContact O-N 3.2Å
299	R	74.7	Confident	74.2	Confident	64 Å²	64	66.6 Å²	66.6	24%	0.242	33%	0.329	C	S	.	.	H	α-helix	trans	-66.9	-40.6	178.2	-173.6	172.2	179.8	150.3	3.9	112.3	L295 I296 F297 N302 L303 Y333 D337	L295-R299 WeakPolarHBondContact O-CB 3.37Å; L295-R299 PolarHBondContact O-N 3.47Å; I296-R299 PolarHBondContact O-N 3.07Å; F297-R299 VanDerWaalsContact C-N 3.31Å; F297-R299 PolarHBondContact O-N 3.44Å; R299-N302 PolarHBondContact O-N 3.12Å; R299-L303 VanDerWaalsContact O-CB 3.29Å; R299-L303 WeakPolarHBondContact O-CB 3.41Å; R299-L303 PolarHBondContact O-N 2.89Å; R299-Y333 HydrophobicContact CG-CE1 4.03Å; R299-D337 IonicContact CZ-OD1 2.61Å; R299-D337 IonicContact CZ-OD2 3.88Å; R299-D337 IonicContact NH2-OD1 3.83Å; R299-D337 PolarHBondContact NH2-OD1 2.99Å; R299-D337 IonicContact NH2-OD2 2.67Å; R299-D337 PolarHBondContact NH2-OD2 3.02Å
300	A	76.3	Confident	76	Confident	38 Å²	38	59.2 Å²	59.2	31%	0.314	30%	0.3	S	S	.	.	H	α-helix	trans	-63.4	-42	173.8	0	0	0	0	0	111.2	I296 F297 L303 N304	I296-A300 WeakPolarHBondContact O-CB 3.46Å; I296-A300 PolarHBondContact O-N 3.24Å; F297-A300 PolarHBondContact O-N 3.09Å; A300-L303 PolarHBondContact O-N 2.86Å; A300-N304 WeakPolarHBondContact O-CB 3.34Å; A300-N304 PolarHBondContact O-N 3.06Å
301	R	83.5	Confident	77.5	Confident	132 Å²	132	59.1 Å²	59.1	50%	0.498	30%	0.298	S	S	.	.	H	α-helix	trans	-62	-44.7	174.3	-168.5	177.7	-174.5	173.8	3.8	111.9	F297 Q298 N304 R305	F297-R301 WeakPolarHBondContact O-CB 3.33Å; F297-R301 PolarHBondContact O-N 2.96Å; Q298-R301 PolarHBondContact O-N 2.61Å; R301-N304 PolarHBondContact O-N 2.9Å; R301-R305 VanDerWaalsContact NH2-NH2 3.15Å; R301-R305 WeakPolarHBondContact O-CB 3.01Å; R301-R305 VanDerWaalsContact O-CG 3.27Å; R301-R305 WeakPolarHBondContact O-CG 3.2Å; R301-R305 PolarHBondContact O-N 2.94Å
302	N	82.9	Confident	79.4	Confident	43 Å²	43	61.6 Å²	61.6	23%	0.23	29%	0.293	C	S	.	.	H	α-helix	trans	-65.5	-42.4	176.8	-72.2	-12.6	0	0	0	111.9	Q298 R299 R305 Y306 Y333	Q298-N302 WeakPolarHBondContact O-CB 3.44Å; Q298-N302 VanDerWaalsContact O-CG 3.24Å; Q298-N302 PolarHBondContact O-N 3.2Å; R299-N302 PolarHBondContact O-N 3.12Å; N302-R305 PolarHBondContact O-N 3.01Å; N302-Y306 WeakPolarHBondContact O-CB 3.39Å; N302-Y306 PolarHBondContact O-N 3.27Å; N302-Y333 HydrophobicContact CB-CE2 4.06Å; N302-Y333 PolarHBondContact ND2-OH 3.21Å
303	L	83.9	Confident	80.5	Confident	25 Å²	25	61.9 Å²	61.9	13%	0.131	29%	0.288	C	S	.	.	H	α-helix	trans	-57.8	-50	173.4	168.5	69.8	0	0	0	111	R299 A300 Y306 C307 F341 L344	R299-L303 VanDerWaalsContact O-CB 3.29Å; R299-L303 WeakPolarHBondContact O-CB 3.41Å; R299-L303 PolarHBondContact O-N 2.89Å; A300-L303 PolarHBondContact O-N 2.86Å; L303-Y306 PolarHBondContact O-N 3.11Å; L303-C307 VanDerWaalsContact O-CB 3.3Å; L303-C307 WeakPolarHBondContact O-CB 3.33Å; L303-C307 PolarHBondContact O-N 2.87Å; L303-C307 PolarHBondContact O-SG 3.18Å; L303-F341 HydrophobicContact CB-CE1 4.21Å; L303-F341 HydrophobicContact CB-CZ 4.2Å; L303-F341 HydrophobicContact CD1-CB 3.92Å; L303-F341 HydrophobicContact CD1-CD1 3.15Å; L303-F341 HydrophobicContact CD1-CD2 4.23Å; L303-F341 HydrophobicContact CD1-CE1 3.58Å; L303-F341 HydrophobicContact CD1-CG 3.52Å; L303-F341 HydrophobicContact CD1-CZ 4.28Å; L303-F341 HydrophobicContact CG-CD1 4.36Å; L303-F341 HydrophobicContact CG-CE1 4.38Å; L303-L344 HydrophobicContact CD1-CD1 3.87Å; L303-L344 HydrophobicContact CD2-CD1 4.18Å
304	N	85	Confident	81.4	Confident	75 Å²	75	54.7 Å²	54.7	40%	0.401	26%	0.261	S	S	.	.	H	α-helix	trans	-64.7	-42.6	-178.9	-75	-15.8	0	0	0	111.8	A300 R301 C307 A308	A300-N304 WeakPolarHBondContact O-CB 3.34Å; A300-N304 PolarHBondContact O-N 3.06Å; R301-N304 PolarHBondContact O-N 2.9Å; N304-C307 PolarHBondContact O-N 2.8Å; N304-A308 WeakPolarHBondContact O-CB 3.06Å; N304-A308 PolarHBondContact O-N 3.44Å
305	R	87.2	Confident	82	Confident	116 Å²	116	51.4 Å²	51.4	44%	0.438	24%	0.241	S	C	.	.	H	α-helix	trans	-60.5	-47.2	174	-77.2	175.5	168.1	-179.1	-7.9	111.9	R301 N302 A308 A309 I325	R301-R305 VanDerWaalsContact NH2-NH2 3.15Å; R301-R305 WeakPolarHBondContact O-CB 3.01Å; R301-R305 VanDerWaalsContact O-CG 3.27Å; R301-R305 WeakPolarHBondContact O-CG 3.2Å; R301-R305 PolarHBondContact O-N 2.94Å; N302-R305 PolarHBondContact O-N 3.01Å; R305-A308 PolarHBondContact O-N 2.88Å; R305-A309 WeakPolarHBondContact O-CB 3.46Å; R305-A309 PolarHBondContact O-N 3.27Å; R305-I325 HydrophobicContact CB-CG2 4.16Å
306	Y	89.8	Confident	82.8	Confident	0 Å²	0	51 Å²	51	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-61.6	-48.2	176.9	-179.3	-89	0	0	0	111.6	N302 L303 A308 A309 Y310 L326 T329 E330 I338 F341 R342	N302-Y306 WeakPolarHBondContact O-CB 3.39Å; N302-Y306 PolarHBondContact O-N 3.27Å; L303-Y306 PolarHBondContact O-N 3.11Å; Y306-A308 VanDerWaalsContact C-N 3.33Å; Y306-A308 PolarHBondContact O-N 3.35Å; Y306-A309 PolarHBondContact O-N 2.82Å; Y306-Y310 HydrophobicContact CE1-CD2 4.47Å; Y306-Y310 HydrophobicContact CE1-CG 4.25Å; Y306-Y310 VanDerWaalsContact O-CB 3.25Å; Y306-Y310 WeakPolarHBondContact O-CB 3.27Å; Y306-Y310 PolarHBondContact O-N 3.24Å; Y306-L326 HydrophobicContact CD2-CD2 3.46Å; Y306-L326 VanDerWaalsContact CD2-CD2 3.46Å; Y306-L326 HydrophobicContact CE1-CD2 4.47Å; Y306-L326 HydrophobicContact CE2-CB 4.44Å; Y306-L326 HydrophobicContact CE2-CD2 3.34Å; Y306-L326 HydrophobicContact CE2-CG 4.48Å; Y306-L326 HydrophobicContact CG-CD2 4.18Å; Y306-T329 WeakPolarHBondContact CD2-OG1 3.27Å; Y306-E330 HydrophobicContact CE2-CG 4.09Å; Y306-E330 PolarHBondContact OH-OE1 3.31Å; Y306-I338 HydrophobicContact CE2-CD1 4.26Å; Y306-F341 HydrophobicContact CD1-CB 3.38Å; Y306-F341 HydrophobicContact CD1-CD2 4.03Å; Y306-F341 HydrophobicContact CD1-CG 4.21Å; Y306-F341 HydrophobicContact CE1-CB 3.57Å; Y306-F341 HydrophobicContact CG-CB 4.27Å; Y306-F341 HydrophobicContact CG-CD2 4.08Å; Y306-R342 HydrophobicContact CE1-CG 3.78Å; Y306-R342 WeakPolarHBondContact OH-CG 3.47Å; Y306-R342 PolarHBondContact OH-NE 2.75Å
307	C	85.9	Confident	83.6	Confident	11 Å²	11	56.1 Å²	56.1	7%	0.074	27%	0.274	C	S	.	.	H	α-helix	trans	-59.4	-44.3	179.3	-75.8	0	0	0	0	111.4	L303 N304 Y310 V311 F341 A345	L303-C307 VanDerWaalsContact O-CB 3.3Å; L303-C307 WeakPolarHBondContact O-CB 3.33Å; L303-C307 PolarHBondContact O-N 2.87Å; L303-C307 PolarHBondContact O-SG 3.18Å; N304-C307 PolarHBondContact O-N 2.8Å; C307-Y310 PolarHBondContact O-N 2.86Å; C307-V311 WeakPolarHBondContact O-CB 3.22Å; C307-V311 VanDerWaalsContact O-CG2 3.24Å; C307-V311 WeakPolarHBondContact O-CG2 3.3Å; C307-V311 PolarHBondContact O-N 3.09Å; C307-F341 PolarHBondContact SG-O 2.93Å; C307-A345 HydrophobicContact CB-CB 4.05Å
308	A	87.3	Confident	84.1	Confident	40 Å²	40	54.6 Å²	54.6	33%	0.331	27%	0.268	S	S	.	.	H	α-helix	trans	-62.5	-48.4	176.6	0	0	0	0	0	112	N304 R305 Y306 Y310 V311 R312	N304-A308 WeakPolarHBondContact O-CB 3.06Å; N304-A308 PolarHBondContact O-N 3.44Å; R305-A308 PolarHBondContact O-N 2.88Å; Y306-A308 VanDerWaalsContact C-N 3.33Å; Y306-A308 PolarHBondContact O-N 3.35Å; A308-Y310 PolarHBondContact O-N 2.93Å; A308-V311 PolarHBondContact O-N 2.91Å; A308-R312 WeakPolarHBondContact O-CG 3.29Å; A308-R312 PolarHBondContact O-N 3.31Å
309	A	89.9	Confident	84.6	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-61.1	-42.8	177.1	0	0	0	0	0	112	R305 Y306 R312 R313 D322 I325 L326	R305-A309 WeakPolarHBondContact O-CB 3.46Å; R305-A309 PolarHBondContact O-N 3.27Å; Y306-A309 PolarHBondContact O-N 2.82Å; A309-R312 PolarHBondContact O-N 2.82Å; A309-R313 WeakPolarHBondContact O-CB 3.42Å; A309-R313 PolarHBondContact O-N 2.77Å; A309-D322 WeakPolarHBondContact CA-OD1 3.31Å; A309-D322 HydrophobicContact CB-CB 3.87Å; A309-D322 WeakPolarHBondContact CB-OD1 3.37Å; A309-I325 HydrophobicContact CB-CB 4.48Å; A309-I325 HydrophobicContact CB-CG2 4.25Å; A309-L326 HydrophobicContact CB-CD1 4.48Å; A309-L326 HydrophobicContact CB-CD2 3.89Å; A309-L326 HydrophobicContact CB-CG 3.93Å
310	Y	89	Confident	85	Confident	1 Å²	1	58.7 Å²	58.7	0%	0.004	30%	0.295	C	S	.	.	H	α-helix	trans	-68.9	-41.7	-179.5	-168.2	-107.8	0	0	0	111.9	H119 Y306 C307 A308 R312 R313 I314 L326 R342 A345 I346	H119-Y310 PolarHBondContact CE1-OH 2.9Å; H119-Y310 AromaticContact ND1-CE1 3.44Å; H119-Y310 WeakPolarHBondContact ND1-CE1 3.37Å; H119-Y310 AromaticContact ND1-CZ 3.55Å; H119-Y310 PolarHBondContact ND1-OH 3.04Å; Y306-Y310 HydrophobicContact CE1-CD2 4.47Å; Y306-Y310 HydrophobicContact CE1-CG 4.25Å; Y306-Y310 VanDerWaalsContact O-CB 3.25Å; Y306-Y310 WeakPolarHBondContact O-CB 3.27Å; Y306-Y310 PolarHBondContact O-N 3.24Å; C307-Y310 PolarHBondContact O-N 2.86Å; A308-Y310 PolarHBondContact O-N 2.93Å; Y310-R312 VanDerWaalsContact C-N 3.32Å; Y310-R312 PolarHBondContact O-N 2.96Å; Y310-R313 PolarHBondContact O-N 2.81Å; Y310-I314 HydrophobicContact CD1-CG1 4Å; Y310-I314 HydrophobicContact CE1-CD1 4.19Å; Y310-I314 HydrophobicContact CE1-CG1 3.76Å; Y310-I314 HydrophobicContact CE2-CD1 4.44Å; Y310-I314 HydrophobicContact CE2-CG1 4.34Å; Y310-I314 HydrophobicContact CG-CG1 4.43Å; Y310-I314 WeakPolarHBondContact O-CB 3.32Å; Y310-I314 WeakPolarHBondContact O-CG1 3.24Å; Y310-I314 PolarHBondContact O-N 2.99Å; Y310-L326 HydrophobicContact CD2-CD2 4.27Å; Y310-R342 HydrophobicContact CD1-CB 4.42Å; Y310-R342 HydrophobicContact CD1-CG 4.27Å; Y310-R342 HydrophobicContact CD2-CG 4.31Å; Y310-R342 HydrophobicContact CE1-CB 3.89Å; Y310-R342 HydrophobicContact CE1-CG 3.88Å; Y310-R342 HydrophobicContact CE2-CG 3.96Å; Y310-R342 HydrophobicContact CG-CG 4.46Å; Y310-A345 HydrophobicContact CD1-CB 3.69Å; Y310-A345 HydrophobicContact CG-CB 4.4Å; Y310-I346 HydrophobicContact CE1-CD1 4.02Å; Y310-I346 HydrophobicContact CE1-CG1 4Å
311	V	85.6	Confident	85.4	Confident	14 Å²	14	58.9 Å²	58.9	9%	0.085	30%	0.301	C	S	.	.	H	α-helix	trans	-59.1	-45.4	173.1	168.3	0	0	0	0	110.4	C307 A308 I314 Q315 A345 L349	C307-V311 WeakPolarHBondContact O-CB 3.22Å; C307-V311 VanDerWaalsContact O-CG2 3.24Å; C307-V311 WeakPolarHBondContact O-CG2 3.3Å; C307-V311 PolarHBondContact O-N 3.09Å; A308-V311 PolarHBondContact O-N 2.91Å; V311-I314 PolarHBondContact O-N 3.44Å; V311-Q315 HydrophobicContact CG1-CG 4.34Å; V311-Q315 WeakPolarHBondContact O-CB 3.3Å; V311-Q315 VanDerWaalsContact O-CG 3.29Å; V311-Q315 WeakPolarHBondContact O-CG 3.38Å; V311-Q315 PolarHBondContact O-N 2.97Å; V311-A345 HydrophobicContact CG2-CB 4.06Å; V311-A345 VanDerWaalsContact CG2-O 3.27Å; V311-A345 WeakPolarHBondContact CG2-O 3.4Å; V311-L349 HydrophobicContact CG1-CD1 4.04Å; V311-L349 HydrophobicContact CG2-CB 4.31Å
312	R	86.4	Confident	85.7	Confident	99 Å²	99	52.7 Å²	52.7	37%	0.374	28%	0.277	S	S	.	.	H	α-helix	trans	-60.2	-45.7	175.9	-77.7	-166.7	-72.9	-121.6	1.6	112.5	A308 A309 Y310 I314 Q315 G316 K317 D322	A308-R312 WeakPolarHBondContact O-CG 3.29Å; A308-R312 PolarHBondContact O-N 3.31Å; A309-R312 PolarHBondContact O-N 2.82Å; Y310-R312 VanDerWaalsContact C-N 3.32Å; Y310-R312 PolarHBondContact O-N 2.96Å; R312-I314 PolarHBondContact O-N 2.69Å; R312-Q315 CarbonylContact O-C 3.59Å; R312-Q315 PolarHBondContact O-N 3.48Å; R312-G316 PolarHBondContact O-N 2.79Å; R312-K317 PolarHBondContact O-N 3.48Å; R312-D322 IonicContact CZ-OD1 3.61Å; R312-D322 IonicContact CZ-OD2 3.07Å; R312-D322 IonicContact NE-OD1 3.38Å; R312-D322 PolarHBondContact NE-OD1 3.03Å; R312-D322 IonicContact NE-OD2 2.71Å; R312-D322 PolarHBondContact NE-OD2 2.92Å; R312-D322 IonicContact NH2-OD1 3.61Å; R312-D322 PolarHBondContact NH2-OD1 3Å; R312-D322 IonicContact NH2-OD2 2.82Å
313	R	88.5	Confident	85.8	Confident	48 Å²	48	52.7 Å²	52.7	18%	0.181	28%	0.281	C	S	.	.	H	α-helix	trans	-60.1	-43.7	175.9	-178.7	173.1	179.8	132.7	-15.8	112.8	E116 A309 Y310 Q315 G316 E318 L326	E116-R313 VanDerWaalsContact CD-NE 3.3Å; E116-R313 IonicContact OE1-CZ 2.72Å; E116-R313 IonicContact OE1-NE 3.87Å; E116-R313 PolarHBondContact OE1-NE 2.83Å; E116-R313 IonicContact OE1-NH2 3.04Å; E116-R313 IonicContact OE2-CZ 3.46Å; E116-R313 IonicContact OE2-NE 3.78Å; E116-R313 PolarHBondContact OE2-NE 2.83Å; E116-R313 IonicContact OE2-NH2 2.63Å; E116-R313 PolarHBondContact OE2-NH2 3.19Å; E116-R313 VanDerWaalsContact OE2-NH2 3.08Å; A309-R313 WeakPolarHBondContact O-CB 3.42Å; A309-R313 PolarHBondContact O-N 2.77Å; Y310-R313 PolarHBondContact O-N 2.81Å; R313-Q315 VanDerWaalsContact C-N 3.35Å; R313-G316 PolarHBondContact O-N 3.17Å; R313-G316 VanDerWaalsContact O-N 3.07Å; R313-E318 HydrophobicContact CB-CG 4.45Å; R313-E318 WeakPolarHBondContact CD-OE1 3.46Å; R313-E318 IonicContact CZ-OE1 2.78Å; R313-E318 IonicContact NE-OE1 3.56Å; R313-E318 IonicContact NH1-OE1 3.08Å; R313-E318 PolarHBondContact NH1-OE1 2.68Å; R313-L326 HydrophobicContact CB-CD1 4.15Å; R313-L326 HydrophobicContact CG-CD1 4.41Å
314	I	84.5	Confident	86	Confident	3 Å²	3	59.1 Å²	59.1	2%	0.015	30%	0.303	C	S	.	.	H	α-helix	trans	-68	-35.9	177.4	-70.5	-65.3	0	0	0	111.5	E116 H119 K120 L123 Y310 V311 R312 G316 I346 L349	E116-I314 HydrophobicContact CG-CD1 3.81Å; H119-I314 HydrophobicContact CB-CD1 3.65Å; K120-I314 HydrophobicContact CG-CD1 3.98Å; L123-I314 HydrophobicContact CD1-CB 4.46Å; L123-I314 HydrophobicContact CD1-CG2 2.96Å; L123-I314 HydrophobicContact CG-CG2 4.46Å; Y310-I314 HydrophobicContact CD1-CG1 4Å; Y310-I314 HydrophobicContact CE1-CD1 4.19Å; Y310-I314 HydrophobicContact CE1-CG1 3.76Å; Y310-I314 HydrophobicContact CE2-CD1 4.44Å; Y310-I314 HydrophobicContact CE2-CG1 4.34Å; Y310-I314 HydrophobicContact CG-CG1 4.43Å; Y310-I314 WeakPolarHBondContact O-CB 3.32Å; Y310-I314 WeakPolarHBondContact O-CG1 3.24Å; Y310-I314 PolarHBondContact O-N 2.99Å; V311-I314 PolarHBondContact O-N 3.44Å; R312-I314 PolarHBondContact O-N 2.69Å; I314-G316 PolarHBondContact O-N 3.48Å; I314-I346 HydrophobicContact CG1-CD1 4.09Å; I314-I346 HydrophobicContact CG2-CD1 4.02Å; I314-L349 HydrophobicContact CG2-CD2 3.87Å
315	Q	81.9	Confident	86.1	Confident	52 Å²	52	57.4 Å²	57.4	24%	0.243	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	4.1	170.5	-68.8	-178.6	-3.9	0	0	113.7	R125 V311 R312 R313 K317 L349	R125-Q315 PolarHBondContact NH1-O 3.09Å; R125-Q315 PolarHBondContact NH2-O 3.04Å; V311-Q315 HydrophobicContact CG1-CG 4.34Å; V311-Q315 WeakPolarHBondContact O-CB 3.3Å; V311-Q315 VanDerWaalsContact O-CG 3.29Å; V311-Q315 WeakPolarHBondContact O-CG 3.38Å; V311-Q315 PolarHBondContact O-N 2.97Å; R312-Q315 CarbonylContact O-C 3.59Å; R312-Q315 PolarHBondContact O-N 3.48Å; R313-Q315 VanDerWaalsContact C-N 3.35Å; Q315-K317 PolarHBondContact O-N 3.04Å; Q315-L349 HydrophobicContact CG-CD1 4.04Å
316	G	81.8	Confident	86.2	Confident	56 Å²	56	52 Å²	52	58%	0.577	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	26.7	-177.8	0	0	0	0	0	114.8	R312 R313 I314	R312-G316 PolarHBondContact O-N 2.79Å; R313-G316 PolarHBondContact O-N 3.17Å; R313-G316 VanDerWaalsContact O-N 3.07Å; I314-G316 PolarHBondContact O-N 3.48Å
317	K	83.7	Confident	86	Confident	142 Å²	142	57 Å²	57	62%	0.617	30%	0.297	S	S	*	.			trans	-112.5	39.6	175.9	-63.7	-179.8	179.9	179.7	0	110.2	R312 Q315	R312-K317 PolarHBondContact O-N 3.48Å; Q315-K317 PolarHBondContact O-N 3.04Å
318	E	83.8	Confident	86	Confident	75 Å²	75	61.1 Å²	61.1	35%	0.35	31%	0.313	S	S	.	.			trans	-69.9	133	-176.2	-167.4	167.4	-152.2	0	0	110.3	R313 D322 C323	R313-E318 HydrophobicContact CB-CG 4.45Å; R313-E318 WeakPolarHBondContact CD-OE1 3.46Å; R313-E318 IonicContact CZ-OE1 2.78Å; R313-E318 IonicContact NE-OE1 3.56Å; R313-E318 IonicContact NH1-OE1 3.08Å; R313-E318 PolarHBondContact NH1-OE1 2.68Å; E318-D322 HydrophobicContact CG-CB 3.9Å; E318-C323 PolarHBondContact OE1-SG 3.45Å
319	T	85.5	Confident	85.9	Confident	73 Å²	73	59.5 Å²	59.5	45%	0.448	30%	0.3	S	S	.	.			trans	-94.4	156.1	169.5	60.2	0	0	0	0	110	G321 D322	T319-G321 PolarHBondContact O-N 2.93Å; T319-G321 VanDerWaalsContact O-N 3.15Å; T319-D322 PolarHBondContact N-OD2 3.19Å; T319-D322 WeakPolarHBondContact O-CB 3.33Å; T319-D322 PolarHBondContact O-N 3.32Å; T319-D322 PolarHBondContact OG1-OD1 2.96Å; T319-D322 PolarHBondContact OG1-OD2 3.39Å
320	E	81.8	Confident	85.7	Confident	190 Å²	190	61 Å²	61	89%	0.888	31%	0.307	S	S	*	.	H	α-helix	trans	-56.1	-33.9	178.5	-69.9	-177.7	174.7	0	0	112.7	D322	E320-D322 VanDerWaalsContact C-N 3.32Å; E320-D322 PolarHBondContact O-N 3.07Å
321	G	86.2	Confident	85.2	Confident	42 Å²	42	67.4 Å²	67.4	43%	0.433	34%	0.338	S	S	.	.	H	α-helix	trans	-68.6	-25.7	175	0	0	0	0	0	114.3	T319 I325	T319-G321 PolarHBondContact O-N 2.93Å; T319-G321 VanDerWaalsContact O-N 3.15Å; G321-I325 VanDerWaalsContact O-CG1 3.31Å; G321-I325 WeakPolarHBondContact O-CG1 3.38Å; G321-I325 PolarHBondContact O-N 3.27Å
322	D	88.1	Confident	84.7	Confident	1 Å²	1	71.6 Å²	71.6	1%	0.005	36%	0.36	C	S	.	.	H	α-helix	trans	-68.4	-40.3	179.6	-70.8	-38.7	0	0	0	111.6	A309 R312 E318 T319 E320 W324 I325 L326	A309-D322 WeakPolarHBondContact CA-OD1 3.31Å; A309-D322 HydrophobicContact CB-CB 3.87Å; A309-D322 WeakPolarHBondContact CB-OD1 3.37Å; R312-D322 IonicContact CZ-OD1 3.61Å; R312-D322 IonicContact CZ-OD2 3.07Å; R312-D322 IonicContact NE-OD1 3.38Å; R312-D322 PolarHBondContact NE-OD1 3.03Å; R312-D322 IonicContact NE-OD2 2.71Å; R312-D322 PolarHBondContact NE-OD2 2.92Å; R312-D322 IonicContact NH2-OD1 3.61Å; R312-D322 PolarHBondContact NH2-OD1 3Å; R312-D322 IonicContact NH2-OD2 2.82Å; E318-D322 HydrophobicContact CG-CB 3.9Å; T319-D322 PolarHBondContact N-OD2 3.19Å; T319-D322 WeakPolarHBondContact O-CB 3.33Å; T319-D322 PolarHBondContact O-N 3.32Å; T319-D322 PolarHBondContact OG1-OD1 2.96Å; T319-D322 PolarHBondContact OG1-OD2 3.39Å; E320-D322 VanDerWaalsContact C-N 3.32Å; E320-D322 PolarHBondContact O-N 3.07Å; D322-W324 VanDerWaalsContact C-N 3.31Å; D322-W324 PolarHBondContact O-N 3.45Å; D322-I325 PolarHBondContact O-N 3.11Å; D322-L326 VanDerWaalsContact O-CG 3.3Å; D322-L326 WeakPolarHBondContact O-CG 3.37Å; D322-L326 PolarHBondContact O-N 2.71Å
323	C	86.1	Confident	84.1	Confident	44 Å²	44	68.4 Å²	68.4	30%	0.297	35%	0.348	S	S	.	.	H	α-helix	trans	-54	-49.4	176.4	-72.2	0	0	0	0	111.1	E318 I325 L326 E327	E318-C323 PolarHBondContact OE1-SG 3.45Å; C323-I325 PolarHBondContact O-N 2.91Å; C323-L326 PolarHBondContact O-N 3.07Å; C323-E327 WeakPolarHBondContact O-CB 3.49Å; C323-E327 WeakPolarHBondContact O-CG 3.49Å; C323-E327 PolarHBondContact O-N 3.36Å
324	W	87.8	Confident	83	Confident	160 Å²	160	67.4 Å²	67.4	61%	0.606	35%	0.352	S	S	*	.	H	α-helix	trans	-65	-40.2	-179.9	179.8	85.5	0	0	0	112.5	D322 K328	D322-W324 VanDerWaalsContact C-N 3.31Å; D322-W324 PolarHBondContact O-N 3.45Å; W324-K328 HydrophobicContact CH2-CD 3.55Å; W324-K328 HydrophobicContact CZ2-CD 3.48Å; W324-K328 VanDerWaalsContact CZ2-CD 3.48Å; W324-K328 HydrophobicContact CZ3-CD 4.13Å; W324-K328 WeakPolarHBondContact O-CB 3.31Å; W324-K328 PolarHBondContact O-N 2.51Å
325	I	87.8	Confident	82	Confident	38 Å²	38	70.2 Å²	70.2	20%	0.195	37%	0.365	C	S	.	.	H	α-helix	trans	-61.9	-46.5	176.9	-68.3	167.2	0	0	0	110.5	R305 A309 G321 D322 C323 T329	R305-I325 HydrophobicContact CB-CG2 4.16Å; A309-I325 HydrophobicContact CB-CB 4.48Å; A309-I325 HydrophobicContact CB-CG2 4.25Å; G321-I325 VanDerWaalsContact O-CG1 3.31Å; G321-I325 WeakPolarHBondContact O-CG1 3.38Å; G321-I325 PolarHBondContact O-N 3.27Å; D322-I325 PolarHBondContact O-N 3.11Å; C323-I325 PolarHBondContact O-N 2.91Å; I325-T329 WeakPolarHBondContact O-CB 3.06Å; I325-T329 WeakPolarHBondContact O-CG2 3.48Å; I325-T329 PolarHBondContact O-N 2.91Å; I325-T329 PolarHBondContact O-OG1 2.81Å
326	L	89.3	Confident	80.8	Confident	2 Å²	2	70.1 Å²	70.1	1%	0.01	37%	0.37	C	S	.	.	H	α-helix	trans	-63.7	-50.9	179.9	-67.5	175.3	0	0	0	111	Y306 A309 Y310 R313 D322 C323 K328 T329 E330	Y306-L326 HydrophobicContact CD2-CD2 3.46Å; Y306-L326 VanDerWaalsContact CD2-CD2 3.46Å; Y306-L326 HydrophobicContact CE1-CD2 4.47Å; Y306-L326 HydrophobicContact CE2-CB 4.44Å; Y306-L326 HydrophobicContact CE2-CD2 3.34Å; Y306-L326 HydrophobicContact CE2-CG 4.48Å; Y306-L326 HydrophobicContact CG-CD2 4.18Å; A309-L326 HydrophobicContact CB-CD1 4.48Å; A309-L326 HydrophobicContact CB-CD2 3.89Å; A309-L326 HydrophobicContact CB-CG 3.93Å; Y310-L326 HydrophobicContact CD2-CD2 4.27Å; R313-L326 HydrophobicContact CB-CD1 4.15Å; R313-L326 HydrophobicContact CG-CD1 4.41Å; D322-L326 VanDerWaalsContact O-CG 3.3Å; D322-L326 WeakPolarHBondContact O-CG 3.37Å; D322-L326 PolarHBondContact O-N 2.71Å; C323-L326 PolarHBondContact O-N 3.07Å; L326-K328 PolarHBondContact O-N 3.31Å; L326-T329 PolarHBondContact O-N 3.42Å; L326-T329 PolarHBondContact O-OG1 3.37Å; L326-E330 VanDerWaalsContact O-CB 3.29Å; L326-E330 WeakPolarHBondContact O-CB 3.45Å; L326-E330 WeakPolarHBondContact O-CG 3.13Å; L326-E330 PolarHBondContact O-N 3.15Å
327	E	85.7	Confident	80.1	Confident	107 Å²	107	68.5 Å²	68.5	50%	0.5	35%	0.348	S	S	.	.	H	α-helix	trans	-62.7	-45.2	-179.2	-73.3	-178.4	177.5	0	0	112.2	C323 T329 E330 M331	C323-E327 WeakPolarHBondContact O-CB 3.49Å; C323-E327 WeakPolarHBondContact O-CG 3.49Å; C323-E327 PolarHBondContact O-N 3.36Å; E327-T329 PolarHBondContact O-N 3.08Å; E327-E330 PolarHBondContact O-N 2.96Å; E327-M331 WeakPolarHBondContact O-CG 3.34Å; E327-M331 PolarHBondContact O-N 3.12Å
328	K	86	Confident	79.8	Confident	96 Å²	96	61.8 Å²	61.8	42%	0.417	32%	0.319	S	S	.	.	H	α-helix	trans	-61	-48.3	179.3	179.9	172.7	179.7	177.4	0	111.6	W324 L326 M331 D332	W324-K328 HydrophobicContact CH2-CD 3.55Å; W324-K328 HydrophobicContact CZ2-CD 3.48Å; W324-K328 VanDerWaalsContact CZ2-CD 3.48Å; W324-K328 HydrophobicContact CZ3-CD 4.13Å; W324-K328 WeakPolarHBondContact O-CB 3.31Å; W324-K328 PolarHBondContact O-N 2.51Å; L326-K328 PolarHBondContact O-N 3.31Å; K328-M331 PolarHBondContact O-N 2.91Å; K328-D332 WeakPolarHBondContact CG-OD2 3.38Å; K328-D332 WeakPolarHBondContact O-CB 3.06Å; K328-D332 PolarHBondContact O-N 2.86Å
329	T	85	Confident	78.9	Confident	7 Å²	7	58.8 Å²	58.8	4%	0.043	31%	0.306	C	S	.	.	H	α-helix	trans	-67.7	-37.3	179.1	51	0	0	0	0	112.3	Y306 I325 L326 E327 M331 D332 Y333	Y306-T329 WeakPolarHBondContact CD2-OG1 3.27Å; I325-T329 WeakPolarHBondContact O-CB 3.06Å; I325-T329 WeakPolarHBondContact O-CG2 3.48Å; I325-T329 PolarHBondContact O-N 2.91Å; I325-T329 PolarHBondContact O-OG1 2.81Å; L326-T329 PolarHBondContact O-N 3.42Å; L326-T329 PolarHBondContact O-OG1 3.37Å; E327-T329 PolarHBondContact O-N 3.08Å; T329-M331 PolarHBondContact O-N 3.41Å; T329-D332 PolarHBondContact O-N 2.84Å; T329-Y333 HydrophobicContact CG2-CE2 4.43Å; T329-Y333 WeakPolarHBondContact O-CB 3.46Å; T329-Y333 WeakPolarHBondContact O-CD2 3.4Å; T329-Y333 PolarHBondContact O-N 3.36Å
330	E	84.6	Confident	78	Confident	32 Å²	32	55.6 Å²	55.6	15%	0.15	29%	0.286	C	S	.	.	H	α-helix	trans	-63	-26.1	173.8	-75	178.8	-177.4	0	0	113.3	Y112 Y306 L326 E327 I338 R342	Y112-E330 HydrophobicContact CD2-CG 4.29Å; Y112-E330 HydrophobicContact CE2-CB 4.21Å; Y112-E330 HydrophobicContact CE2-CG 4.11Å; Y306-E330 HydrophobicContact CE2-CG 4.09Å; Y306-E330 PolarHBondContact OH-OE1 3.31Å; L326-E330 VanDerWaalsContact O-CB 3.29Å; L326-E330 WeakPolarHBondContact O-CB 3.45Å; L326-E330 WeakPolarHBondContact O-CG 3.13Å; L326-E330 PolarHBondContact O-N 3.15Å; E327-E330 PolarHBondContact O-N 2.96Å; E330-I338 HydrophobicContact CB-CD1 4.46Å; E330-I338 HydrophobicContact CG-CD1 4.02Å; E330-I338 HydrophobicContact CG-CG1 4.3Å; E330-I338 HydrophobicContact CG-CG2 4.07Å; E330-R342 IonicContact OE1-CZ 3.22Å; E330-R342 IonicContact OE1-NE 2.87Å; E330-R342 IonicContact OE1-NH2 3.08Å; E330-R342 PolarHBondContact OE1-NH2 3.06Å
331	M	78.4	Confident	78	Confident	135 Å²	135	46.8 Å²	46.8	67%	0.665	24%	0.244	S	C	*	.	H	α-helix	trans	-81.7	-41.1	170.7	-70.2	-176.6	66.2	0	0	112.7	E327 K328 T329	E327-M331 WeakPolarHBondContact O-CG 3.34Å; E327-M331 PolarHBondContact O-N 3.12Å; K328-M331 PolarHBondContact O-N 2.91Å; T329-M331 PolarHBondContact O-N 3.41Å
332	D	75.9	Confident	77.7	Confident	101 Å²	101	44.9 Å²	44.9	54%	0.54	22%	0.224	S	C	.	.	H	α-helix	trans	-73.1	-31	-175.2	-69.9	-18.1	0	0	0	112.9	K328 T329	K328-D332 WeakPolarHBondContact CG-OD2 3.38Å; K328-D332 WeakPolarHBondContact O-CB 3.06Å; K328-D332 PolarHBondContact O-N 2.86Å; T329-D332 PolarHBondContact O-N 2.84Å
333	Y	72.9	Confident	76.8	Confident	33 Å²	33	46.7 Å²	46.7	13%	0.129	23%	0.231	C	C	.	.	S	Bend	trans	-109	152.8	-174	-69.7	-80.7	0	0	0	113.5	R299 N302 T329 D337 F341	R299-Y333 HydrophobicContact CG-CE1 4.03Å; N302-Y333 HydrophobicContact CB-CE2 4.06Å; N302-Y333 PolarHBondContact ND2-OH 3.21Å; T329-Y333 HydrophobicContact CG2-CE2 4.43Å; T329-Y333 WeakPolarHBondContact O-CB 3.46Å; T329-Y333 WeakPolarHBondContact O-CD2 3.4Å; T329-Y333 PolarHBondContact O-N 3.36Å; Y333-D337 HydrophobicContact CD1-CB 4.21Å; Y333-D337 HydrophobicContact CG-CB 4.39Å; Y333-F341 HydrophobicContact CD1-CE2 4.41Å; Y333-F341 HydrophobicContact CD1-CZ 4.28Å; Y333-F341 AromaticContact CD2-CE2 3.98Å; Y333-F341 HydrophobicContact CD2-CE2 3.98Å; Y333-F341 HydrophobicContact CE1-CZ 4.32Å; Y333-F341 HydrophobicContact CE2-CE2 4.16Å; Y333-F341 HydrophobicContact CG-CE2 4.12Å; Y333-F341 HydrophobicContact CG-CZ 4.43Å
334	G	65.6	Low	76.3	Confident	26 Å²	26	46.9 Å²	46.9	27%	0.268	23%	0.229	S	C	.	.			trans	-71.2	163.9	177.1	0	0	0	0	0	113.3	S336 D337 I338	G334-S336 VanDerWaalsContact C-N 3.28Å; G334-S336 PolarHBondContact O-N 2.76Å; G334-D337 WeakPolarHBondContact O-CB 3.48Å; G334-D337 PolarHBondContact O-N 3.33Å; G334-I338 PolarHBondContact O-N 3.02Å; G334-I338 VanDerWaalsContact O-N 3.12Å
335	F	63.1	Low	76	Confident	62 Å²	62	39.2 Å²	39.2	27%	0.272	20%	0.2	S	C	.	.	H	α-helix	trans	-54.7	-40.1	-178.9	177.5	-99.2	0	0	0	113.9	L102 V111 Y112 T339	L102-F335 HydrophobicContact CD1-CD1 4.01Å; L102-F335 HydrophobicContact CD1-CD2 3.84Å; L102-F335 HydrophobicContact CD1-CE1 3.85Å; L102-F335 HydrophobicContact CD1-CE2 3.67Å; L102-F335 HydrophobicContact CD1-CG 4.01Å; L102-F335 HydrophobicContact CD1-CZ 3.68Å; L102-F335 HydrophobicContact CD2-CE2 4.49Å; V111-F335 HydrophobicContact CB-CE2 4.2Å; V111-F335 HydrophobicContact CG1-CE2 3.65Å; V111-F335 HydrophobicContact CG1-CZ 3.83Å; Y112-F335 HydrophobicContact CD1-CE2 4.37Å; Y112-F335 AromaticContact CE1-CD2 3.64Å; Y112-F335 HydrophobicContact CE1-CD2 3.64Å; Y112-F335 AromaticContact CE1-CE2 3.75Å; Y112-F335 HydrophobicContact CE1-CE2 3.75Å; F335-T339 WeakPolarHBondContact O-CB 3.47Å; F335-T339 PolarHBondContact O-N 3.16Å; F335-T339 PolarHBondContact O-OG1 2.93Å
336	S	57.1	Low	75.3	Confident	51 Å²	51	37.5 Å²	37.5	36%	0.357	19%	0.191	S	C	.	.	H	α-helix	trans	-63.6	-39.4	176.5	52.9	0	0	0	0	112.6	G334 L340 L371	G334-S336 VanDerWaalsContact C-N 3.28Å; G334-S336 PolarHBondContact O-N 2.76Å; S336-L340 WeakPolarHBondContact O-CB 3.2Å; S336-L340 PolarHBondContact O-N 2.99Å; S336-L371 VanDerWaalsContact O-CD2 3.25Å; S336-L371 WeakPolarHBondContact O-CD2 3.4Å
337	D	68	Low	74.3	Confident	22 Å²	22	39.7 Å²	39.7	12%	0.118	20%	0.199	C	C	.	.	H	α-helix	trans	-69.3	-47.5	-178.6	-69.2	-22.5	0	0	0	110.5	R299 Y333 G334 T339 L340 F341 P375	R299-D337 IonicContact CZ-OD1 2.61Å; R299-D337 IonicContact CZ-OD2 3.88Å; R299-D337 IonicContact NH2-OD1 3.83Å; R299-D337 PolarHBondContact NH2-OD1 2.99Å; R299-D337 IonicContact NH2-OD2 2.67Å; R299-D337 PolarHBondContact NH2-OD2 3.02Å; Y333-D337 HydrophobicContact CD1-CB 4.21Å; Y333-D337 HydrophobicContact CG-CB 4.39Å; G334-D337 WeakPolarHBondContact O-CB 3.48Å; G334-D337 PolarHBondContact O-N 3.33Å; D337-T339 PolarHBondContact O-N 3.03Å; D337-L340 WeakPolarHBondContact O-CB 3.44Å; D337-L340 PolarHBondContact O-N 2.85Å; D337-F341 HydrophobicContact CB-CZ 4.5Å; D337-F341 WeakPolarHBondContact O-CD1 3.37Å; D337-F341 WeakPolarHBondContact O-CG 3.28Å; D337-F341 PolarHBondContact O-N 3.34Å; D337-P375 WeakPolarHBondContact OD1-CG 3.47Å
338	I	76.2	Confident	73.6	Confident	0 Å²	0	38 Å²	38	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-62.7	-43.1	177.6	-65.3	-58	0	0	0	111.9	Y112 Y306 E330 G334 L340 F341 R342	Y112-I338 HydrophobicContact CD1-CG2 4.2Å; Y112-I338 HydrophobicContact CE1-CB 4.17Å; Y112-I338 HydrophobicContact CE1-CG2 3.59Å; Y112-I338 HydrophobicContact CE2-CG2 4.15Å; Y306-I338 HydrophobicContact CE2-CD1 4.26Å; E330-I338 HydrophobicContact CB-CD1 4.46Å; E330-I338 HydrophobicContact CG-CD1 4.02Å; E330-I338 HydrophobicContact CG-CG1 4.3Å; E330-I338 HydrophobicContact CG-CG2 4.07Å; G334-I338 PolarHBondContact O-N 3.02Å; G334-I338 VanDerWaalsContact O-N 3.12Å; I338-L340 PolarHBondContact O-N 3.19Å; I338-F341 HydrophobicContact CD1-CD2 4.19Å; I338-F341 PolarHBondContact O-N 2.91Å; I338-F341 VanDerWaalsContact O-N 3.14Å; I338-R342 HydrophobicContact CG2-CG 4.32Å; I338-R342 WeakPolarHBondContact O-CB 3.04Å; I338-R342 VanDerWaalsContact O-CG 3.29Å; I338-R342 WeakPolarHBondContact O-CG 3.45Å; I338-R342 PolarHBondContact O-N 2.86Å
339	T	66.5	Low	73	Confident	13 Å²	13	33.9 Å²	33.9	8%	0.08	17%	0.173	C	C	.	.	H	α-helix	trans	-63.1	-37.5	178.6	-54.4	0	0	0	0	110.2	F335 D337 Y343 L371	F335-T339 WeakPolarHBondContact O-CB 3.47Å; F335-T339 PolarHBondContact O-N 3.16Å; F335-T339 PolarHBondContact O-OG1 2.93Å; D337-T339 PolarHBondContact O-N 3.03Å; T339-Y343 WeakPolarHBondContact O-CB 3.43Å; T339-Y343 PolarHBondContact O-N 3.13Å; T339-L371 HydrophobicContact CG2-CD1 3.96Å; T339-L371 HydrophobicContact CG2-CD2 3.7Å; T339-L371 HydrophobicContact CG2-CG 3.58Å
340	L	66.8	Low	72.1	Confident	6 Å²	6	33.9 Å²	33.9	3%	0.031	17%	0.172	C	C	.	.	H	α-helix	trans	-63.4	-47.2	172	173.6	65.5	0	0	0	111.5	S336 D337 I338 R342 Y343 L344 L371 L374 P375	S336-L340 WeakPolarHBondContact O-CB 3.2Å; S336-L340 PolarHBondContact O-N 2.99Å; D337-L340 WeakPolarHBondContact O-CB 3.44Å; D337-L340 PolarHBondContact O-N 2.85Å; I338-L340 PolarHBondContact O-N 3.19Å; L340-R342 VanDerWaalsContact C-N 3.29Å; L340-R342 PolarHBondContact O-N 3Å; L340-Y343 HydrophobicContact CD1-CD1 4.34Å; L340-Y343 WeakPolarHBondContact O-CB 3.09Å; L340-Y343 PolarHBondContact O-N 3.32Å; L340-Y343 VanDerWaalsContact O-N 3.14Å; L340-L344 HydrophobicContact CD1-CD1 4.04Å; L340-L344 HydrophobicContact CD1-CD2 4.46Å; L340-L344 HydrophobicContact CD1-CG 3.97Å; L340-L344 HydrophobicContact CD2-CD1 4.44Å; L340-L344 HydrophobicContact CG-CD1 3.94Å; L340-L344 HydrophobicContact CG-CG 4.28Å; L340-L344 WeakPolarHBondContact O-CG 3.18Å; L340-L344 PolarHBondContact O-N 2.77Å; L340-L371 HydrophobicContact CB-CD1 3.88Å; L340-L371 HydrophobicContact CD1-CD1 4.35Å; L340-L374 HydrophobicContact CD1-CD2 3.78Å; L340-L374 HydrophobicContact CD1-CG 4Å; L340-L374 HydrophobicContact CD2-CD2 3.71Å; L340-L374 HydrophobicContact CD2-CG 4.3Å; L340-L374 HydrophobicContact CG-CD2 4.44Å; L340-P375 HydrophobicContact CD2-CG 3.83Å
341	F	80	Confident	71.1	Confident	4 Å²	4	37.7 Å²	37.7	2%	0.018	19%	0.185	C	C	.	.	H	α-helix	trans	-60.7	-43.4	-177.8	-64.5	0.1	0	0	0	110.7	L303 Y306 C307 Y333 D337 I338 Y343 L344 A345	L303-F341 HydrophobicContact CB-CE1 4.21Å; L303-F341 HydrophobicContact CB-CZ 4.2Å; L303-F341 HydrophobicContact CD1-CB 3.92Å; L303-F341 HydrophobicContact CD1-CD1 3.15Å; L303-F341 HydrophobicContact CD1-CD2 4.23Å; L303-F341 HydrophobicContact CD1-CE1 3.58Å; L303-F341 HydrophobicContact CD1-CG 3.52Å; L303-F341 HydrophobicContact CD1-CZ 4.28Å; L303-F341 HydrophobicContact CG-CD1 4.36Å; L303-F341 HydrophobicContact CG-CE1 4.38Å; Y306-F341 HydrophobicContact CD1-CB 3.38Å; Y306-F341 HydrophobicContact CD1-CD2 4.03Å; Y306-F341 HydrophobicContact CD1-CG 4.21Å; Y306-F341 HydrophobicContact CE1-CB 3.57Å; Y306-F341 HydrophobicContact CG-CB 4.27Å; Y306-F341 HydrophobicContact CG-CD2 4.08Å; C307-F341 PolarHBondContact SG-O 2.93Å; Y333-F341 HydrophobicContact CD1-CE2 4.41Å; Y333-F341 HydrophobicContact CD1-CZ 4.28Å; Y333-F341 AromaticContact CD2-CE2 3.98Å; Y333-F341 HydrophobicContact CD2-CE2 3.98Å; Y333-F341 HydrophobicContact CE1-CZ 4.32Å; Y333-F341 HydrophobicContact CE2-CE2 4.16Å; Y333-F341 HydrophobicContact CG-CE2 4.12Å; Y333-F341 HydrophobicContact CG-CZ 4.43Å; D337-F341 HydrophobicContact CB-CZ 4.5Å; D337-F341 WeakPolarHBondContact O-CD1 3.37Å; D337-F341 WeakPolarHBondContact O-CG 3.28Å; D337-F341 PolarHBondContact O-N 3.34Å; I338-F341 HydrophobicContact CD1-CD2 4.19Å; I338-F341 PolarHBondContact O-N 2.91Å; I338-F341 VanDerWaalsContact O-N 3.14Å; F341-Y343 PolarHBondContact O-N 2.98Å; F341-L344 PolarHBondContact O-N 2.91Å; F341-A345 VanDerWaalsContact O-CB 3.32Å; F341-A345 WeakPolarHBondContact O-CB 3.48Å; F341-A345 PolarHBondContact O-N 3.31Å
342	R	81.7	Confident	70.5	Confident	3 Å²	3	36.4 Å²	36.4	1%	0.011	18%	0.177	C	C	.	.	H	α-helix	trans	-62.2	-41.5	174.4	-69	175.4	169.9	-136.3	-11.1	112.3	Y112 Y306 Y310 E330 I338 L340 A345 I346	Y112-R342 VanDerWaalsContact C-NH1 3.34Å; Y112-R342 VanDerWaalsContact CB-NH2 3.34Å; Y112-R342 PolarHBondContact O-NH1 2.9Å; Y306-R342 HydrophobicContact CE1-CG 3.78Å; Y306-R342 WeakPolarHBondContact OH-CG 3.47Å; Y306-R342 PolarHBondContact OH-NE 2.75Å; Y310-R342 HydrophobicContact CD1-CB 4.42Å; Y310-R342 HydrophobicContact CD1-CG 4.27Å; Y310-R342 HydrophobicContact CD2-CG 4.31Å; Y310-R342 HydrophobicContact CE1-CB 3.89Å; Y310-R342 HydrophobicContact CE1-CG 3.88Å; Y310-R342 HydrophobicContact CE2-CG 3.96Å; Y310-R342 HydrophobicContact CG-CG 4.46Å; E330-R342 IonicContact OE1-CZ 3.22Å; E330-R342 IonicContact OE1-NE 2.87Å; E330-R342 IonicContact OE1-NH2 3.08Å; E330-R342 PolarHBondContact OE1-NH2 3.06Å; I338-R342 HydrophobicContact CG2-CG 4.32Å; I338-R342 WeakPolarHBondContact O-CB 3.04Å; I338-R342 VanDerWaalsContact O-CG 3.29Å; I338-R342 WeakPolarHBondContact O-CG 3.45Å; I338-R342 PolarHBondContact O-N 2.86Å; L340-R342 VanDerWaalsContact C-N 3.29Å; L340-R342 PolarHBondContact O-N 3Å; R342-A345 PolarHBondContact O-N 2.83Å; R342-I346 VanDerWaalsContact O-CG1 3.3Å; R342-I346 WeakPolarHBondContact O-CG1 3.48Å; R342-I346 PolarHBondContact O-N 2.96Å
343	Y	68.3	Low	70	Confident	39 Å²	39	33.2 Å²	33.2	15%	0.153	16%	0.162	C	C	.	.	H	α-helix	trans	-60.7	-47	174.6	169.6	-98	0	0	0	111.7	T339 L340 F341 I346 R347 M366 A370	T339-Y343 WeakPolarHBondContact O-CB 3.43Å; T339-Y343 PolarHBondContact O-N 3.13Å; L340-Y343 HydrophobicContact CD1-CD1 4.34Å; L340-Y343 WeakPolarHBondContact O-CB 3.09Å; L340-Y343 PolarHBondContact O-N 3.32Å; L340-Y343 VanDerWaalsContact O-N 3.14Å; F341-Y343 PolarHBondContact O-N 2.98Å; Y343-I346 PolarHBondContact O-N 3.45Å; Y343-R347 VanDerWaalsContact O-CB 3.29Å; Y343-R347 WeakPolarHBondContact O-CB 3.42Å; Y343-R347 PolarHBondContact O-N 3.39Å; Y343-M366 HydrophobicContact CD2-CE 3.72Å; Y343-M366 HydrophobicContact CE2-CE 3.56Å; Y343-A370 HydrophobicContact CE2-CB 4.3Å
344	L	75.5	Confident	69.1	Low	47 Å²	47	40.8 Å²	40.8	25%	0.246	20%	0.195	C	C	.	.	H	α-helix	trans	-63.8	-41.8	178.3	-68.7	174.8	0	0	0	112	L303 L340 F341 R347 K348	L303-L344 HydrophobicContact CD1-CD1 3.87Å; L303-L344 HydrophobicContact CD2-CD1 4.18Å; L340-L344 HydrophobicContact CD1-CD1 4.04Å; L340-L344 HydrophobicContact CD1-CD2 4.46Å; L340-L344 HydrophobicContact CD1-CG 3.97Å; L340-L344 HydrophobicContact CD2-CD1 4.44Å; L340-L344 HydrophobicContact CG-CD1 3.94Å; L340-L344 HydrophobicContact CG-CG 4.28Å; L340-L344 WeakPolarHBondContact O-CG 3.18Å; L340-L344 PolarHBondContact O-N 2.77Å; F341-L344 PolarHBondContact O-N 2.91Å; L344-R347 WeakPolarHBondContact O-CB 3.24Å; L344-R347 PolarHBondContact O-N 2.79Å; L344-K348 PolarHBondContact O-N 3.36Å
345	A	81.8	Confident	68.8	Low	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-59.9	-48.6	176.6	0	0	0	0	0	112	C307 Y310 V311 F341 R342 K348 L349	C307-A345 HydrophobicContact CB-CB 4.05Å; Y310-A345 HydrophobicContact CD1-CB 3.69Å; Y310-A345 HydrophobicContact CG-CB 4.4Å; V311-A345 HydrophobicContact CG2-CB 4.06Å; V311-A345 VanDerWaalsContact CG2-O 3.27Å; V311-A345 WeakPolarHBondContact CG2-O 3.4Å; F341-A345 VanDerWaalsContact O-CB 3.32Å; F341-A345 WeakPolarHBondContact O-CB 3.48Å; F341-A345 PolarHBondContact O-N 3.31Å; R342-A345 PolarHBondContact O-N 2.83Å; A345-K348 WeakPolarHBondContact O-CB 3.32Å; A345-K348 PolarHBondContact O-N 2.87Å; A345-L349 PolarHBondContact O-N 3.38Å
346	I	73.3	Confident	68.3	Low	1 Å²	1	44.4 Å²	44.4	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-67.6	-38	177.6	-65.2	-62.4	0	0	0	111.6	H119 Y310 I314 R342 Y343 K348 L349 F350 M366	H119-I346 HydrophobicContact CB-CD1 3.77Å; H119-I346 HydrophobicContact CB-CG1 4.31Å; H119-I346 VanDerWaalsContact ND1-CG1 3.27Å; H119-I346 WeakPolarHBondContact ND1-CG1 3.48Å; Y310-I346 HydrophobicContact CE1-CD1 4.02Å; Y310-I346 HydrophobicContact CE1-CG1 4Å; I314-I346 HydrophobicContact CG1-CD1 4.09Å; I314-I346 HydrophobicContact CG2-CD1 4.02Å; R342-I346 VanDerWaalsContact O-CG1 3.3Å; R342-I346 WeakPolarHBondContact O-CG1 3.48Å; R342-I346 PolarHBondContact O-N 2.96Å; Y343-I346 PolarHBondContact O-N 3.45Å; I346-K348 VanDerWaalsContact C-N 3.3Å; I346-K348 PolarHBondContact O-N 3.34Å; I346-L349 HydrophobicContact CD1-CD2 4.46Å; I346-L349 WeakPolarHBondContact O-CB 3.29Å; I346-L349 PolarHBondContact O-N 2.83Å; I346-F350 HydrophobicContact CG2-CD2 3.5Å; I346-F350 HydrophobicContact CG2-CE2 3.31Å; I346-F350 HydrophobicContact CG2-CZ 4.49Å; I346-F350 VanDerWaalsContact O-CD2 3.29Å; I346-F350 WeakPolarHBondContact O-CD2 3.1Å; I346-F350 PolarHBondContact O-N 3.41Å; I346-M366 HydrophobicContact CB-CE 4.42Å; I346-M366 HydrophobicContact CB-SD 4.48Å; I346-M366 HydrophobicContact CG2-CE 4.05Å; I346-M366 HydrophobicContact CG2-CG 4.19Å; I346-M366 HydrophobicContact CG2-SD 3.51Å; I346-M366 VanDerWaalsContact CG2-SD 3.51Å
347	R	67.5	Low	67.9	Low	49 Å²	49	44.6 Å²	44.6	19%	0.185	23%	0.225	C	C	.	.	H	α-helix	trans	-58.8	-42.6	173	177.6	176.2	-176.9	179.2	-3.5	111.5	Y343 L344 F350 R351 W363 M366	Y343-R347 VanDerWaalsContact O-CB 3.29Å; Y343-R347 WeakPolarHBondContact O-CB 3.42Å; Y343-R347 PolarHBondContact O-N 3.39Å; L344-R347 WeakPolarHBondContact O-CB 3.24Å; L344-R347 PolarHBondContact O-N 2.79Å; R347-F350 PolarHBondContact O-N 3.04Å; R347-R351 PolarHBondContact O-N 2.9Å; R347-R351 VanDerWaalsContact O-N 3.12Å; R347-W363 HydrophobicContact CB-CH2 4.35Å; R347-W363 HydrophobicContact CB-CZ3 4.11Å; R347-W363 HydrophobicContact CG-CH2 3.77Å; R347-W363 HydrophobicContact CG-CZ3 3.76Å; R347-M366 HydrophobicContact CB-CE 4.09Å
348	K	71.6	Confident	67.2	Low	72 Å²	72	45.6 Å²	45.6	31%	0.313	23%	0.231	S	C	.	.	H	α-helix	trans	-60.3	-48.6	175.3	-171.1	179.1	178.5	179.6	0	110.6	L344 A345 I346 F350 R351 E352 P408	L344-K348 PolarHBondContact O-N 3.36Å; A345-K348 WeakPolarHBondContact O-CB 3.32Å; A345-K348 PolarHBondContact O-N 2.87Å; I346-K348 VanDerWaalsContact C-N 3.3Å; I346-K348 PolarHBondContact O-N 3.34Å; K348-F350 PolarHBondContact O-N 3.28Å; K348-R351 WeakPolarHBondContact O-CB 3.43Å; K348-R351 PolarHBondContact O-N 3.3Å; K348-R351 VanDerWaalsContact O-N 3.16Å; K348-E352 VanDerWaalsContact CE-OE1 3.31Å; K348-E352 WeakPolarHBondContact CE-OE1 3.43Å; K348-E352 PolarHBondContact O-N 2.83Å; K348-P408 HydrophobicContact CD-CG 4.12Å
349	L	73.1	Confident	65.9	Low	9 Å²	9	50 Å²	50	5%	0.047	25%	0.248	C	C	.	.	H	α-helix	trans	-59.4	-42.9	178.1	-178.5	60	0	0	0	113.4	L123 V311 I314 Q315 A345 I346 R351 E352 T353	L123-L349 HydrophobicContact CD1-CD2 3.37Å; L123-L349 HydrophobicContact CD2-CD2 3.63Å; L123-L349 HydrophobicContact CD2-CG 4Å; L123-L349 HydrophobicContact CG-CD2 4.14Å; V311-L349 HydrophobicContact CG1-CD1 4.04Å; V311-L349 HydrophobicContact CG2-CB 4.31Å; I314-L349 HydrophobicContact CG2-CD2 3.87Å; Q315-L349 HydrophobicContact CG-CD1 4.04Å; A345-L349 PolarHBondContact O-N 3.38Å; I346-L349 HydrophobicContact CD1-CD2 4.46Å; I346-L349 WeakPolarHBondContact O-CB 3.29Å; I346-L349 PolarHBondContact O-N 2.83Å; L349-R351 VanDerWaalsContact C-N 3.35Å; L349-R351 PolarHBondContact O-N 2.99Å; L349-E352 PolarHBondContact O-N 3.17Å; L349-T353 PolarHBondContact O-N 3.35Å; L349-T353 PolarHBondContact O-OG1 2.87Å
350	F	66.4	Low	65.1	Low	6 Å²	6	53.2 Å²	53.2	3%	0.026	26%	0.262	C	S	.	.	H	α-helix	trans	-68.1	-33	177.3	-81.9	-60.4	0	0	0	113	L122 L123 I346 R347 K348 E352 T353 V358 R359 N362 M366	L122-F350 HydrophobicContact CB-CZ 4.2Å; L123-F350 HydrophobicContact CD2-CE1 4.07Å; L123-F350 HydrophobicContact CD2-CZ 4.21Å; L123-F350 HydrophobicContact CG-CZ 4.5Å; I346-F350 HydrophobicContact CG2-CD2 3.5Å; I346-F350 HydrophobicContact CG2-CE2 3.31Å; I346-F350 HydrophobicContact CG2-CZ 4.49Å; I346-F350 VanDerWaalsContact O-CD2 3.29Å; I346-F350 WeakPolarHBondContact O-CD2 3.1Å; I346-F350 PolarHBondContact O-N 3.41Å; R347-F350 PolarHBondContact O-N 3.04Å; K348-F350 PolarHBondContact O-N 3.28Å; F350-E352 VanDerWaalsContact C-N 3.33Å; F350-T353 WeakPolarHBondContact O-CB 3.44Å; F350-T353 PolarHBondContact O-N 3.07Å; F350-T353 PolarHBondContact O-OG1 2.97Å; F350-V358 HydrophobicContact CE1-CG1 4.37Å; F350-R359 WeakPolarHBondContact O-CD 3.24Å; F350-R359 VanDerWaalsContact O-CG 3.23Å; F350-R359 WeakPolarHBondContact O-CG 2.92Å; F350-N362 HydrophobicContact CD1-CB 4.38Å; F350-N362 HydrophobicContact CE1-CB 3.55Å; F350-N362 WeakPolarHBondContact CE1-ND2 3.47Å; F350-N362 HydrophobicContact CE2-CB 4.22Å; F350-N362 HydrophobicContact CZ-CB 3.44Å; F350-N362 VanDerWaalsContact CZ-CB 3.44Å; F350-M366 HydrophobicContact CD2-CG 4.42Å; F350-M366 HydrophobicContact CD2-SD 3.26Å; F350-M366 WeakPolarHBondContact CD2-SD 3.27Å; F350-M366 HydrophobicContact CE2-CG 4.05Å; F350-M366 HydrophobicContact CE2-SD 3.46Å; F350-M366 WeakPolarHBondContact CE2-SD 3.26Å; F350-M366 HydrophobicContact CG-SD 4.41Å
351	R	63.8	Low	64.3	Low	112 Å²	112	60.8 Å²	60.8	42%	0.423	29%	0.29	S	S	.	.	H	α-helix	trans	-63.3	-40.8	174.8	-81.3	-179.7	165.8	-163.2	-10.1	112	R347 K348 L349 T353 R359 D411	R347-R351 PolarHBondContact O-N 2.9Å; R347-R351 VanDerWaalsContact O-N 3.12Å; K348-R351 WeakPolarHBondContact O-CB 3.43Å; K348-R351 PolarHBondContact O-N 3.3Å; K348-R351 VanDerWaalsContact O-N 3.16Å; L349-R351 VanDerWaalsContact C-N 3.35Å; L349-R351 PolarHBondContact O-N 2.99Å; R351-T353 PolarHBondContact O-N 2.93Å; R351-R359 PolarHBondContact O-NH1 3.32Å; R351-D411 IonicContact CZ-OD2 3.6Å; R351-D411 IonicContact NH1-OD2 2.69Å; R351-D411 PolarHBondContact NH1-OD2 3.02Å; R351-D411 IonicContact NH2-OD2 2.94Å; R351-D411 PolarHBondContact NH2-OD2 3.49Å
352	E	65.9	Low	63	Low	108 Å²	108	61.8 Å²	61.8	51%	0.505	30%	0.296	S	S	.	.	H	α-helix	trans	-69.1	-17.1	177.1	-68.1	168	-167.9	0	0	113	K348 L349 F350 K354	K348-E352 VanDerWaalsContact CE-OE1 3.31Å; K348-E352 WeakPolarHBondContact CE-OE1 3.43Å; K348-E352 PolarHBondContact O-N 2.83Å; L349-E352 PolarHBondContact O-N 3.17Å; F350-E352 VanDerWaalsContact C-N 3.33Å; E352-K354 PolarHBondContact O-N 3.47Å
353	T	64.9	Low	61.4	Low	34 Å²	34	62.7 Å²	62.7	21%	0.209	30%	0.299	C	S	.	.			trans	-73.2	118.7	179.2	-45.4	0	0	0	0	110.3	L349 F350 R351 D355 V358 R359	L349-T353 PolarHBondContact O-N 3.35Å; L349-T353 PolarHBondContact O-OG1 2.87Å; F350-T353 WeakPolarHBondContact O-CB 3.44Å; F350-T353 PolarHBondContact O-N 3.07Å; F350-T353 PolarHBondContact O-OG1 2.97Å; R351-T353 PolarHBondContact O-N 2.93Å; T353-D355 VanDerWaalsContact C-N 3.25Å; T353-D355 HydrophobicContact CG2-CB 4.49Å; T353-D355 PolarHBondContact O-N 3.25Å; T353-V358 HydrophobicContact CG2-CG1 4.43Å; T353-R359 WeakPolarHBondContact O-CD 3.5Å; T353-R359 PolarHBondContact O-NE 3.33Å; T353-R359 PolarHBondContact O-NH1 2.82Å; T353-R359 VanDerWaalsContact O-NH1 3.14Å
354	K	54.8	Low	60.3	Low	193 Å²	193	64 Å²	64	84%	0.839	31%	0.309	S	S	*	.			trans	-64	-28.4	-178.2	-66.7	-174.7	178.8	-178.5	0	113.3	E352 A356 R359	E352-K354 PolarHBondContact O-N 3.47Å; K354-A356 PolarHBondContact O-N 3.09Å; K354-A356 VanDerWaalsContact O-N 3.16Å; K354-R359 PolarHBondContact O-NH2 3.39Å; K354-R359 VanDerWaalsContact O-NH2 3.15Å
355	D	58	Low	59	Low	101 Å²	101	67.4 Å²	67.4	54%	0.54	32%	0.319	S	S	.	.			trans	-76.5	102.7	-176.3	-69	-26	0	0	0	112.8	T353 A357 V358 R359	T353-D355 VanDerWaalsContact C-N 3.25Å; T353-D355 HydrophobicContact CG2-CB 4.49Å; T353-D355 PolarHBondContact O-N 3.25Å; D355-A357 PolarHBondContact O-N 2.98Å; D355-V358 HydrophobicContact CB-CB 3.94Å; D355-V358 HydrophobicContact CB-CG2 3.67Å; D355-V358 PolarHBondContact O-N 3.27Å; D355-V358 VanDerWaalsContact O-N 3.11Å; D355-R359 WeakPolarHBondContact O-CG 3.14Å; D355-R359 PolarHBondContact O-N 3.14Å; D355-R359 VanDerWaalsContact O-N 3.09Å
356	A	52.8	Low	57.4	Low	63 Å²	63	67.7 Å²	67.7	52%	0.521	32%	0.321	S	S	.	.	H	α-helix	trans	-54.2	-36.4	173.3	0	0	0	0	0	113	K354 V358 R359 H360	K354-A356 PolarHBondContact O-N 3.09Å; K354-A356 VanDerWaalsContact O-N 3.16Å; A356-V358 VanDerWaalsContact C-N 3.34Å; A356-V358 PolarHBondContact O-N 3.35Å; A356-R359 PolarHBondContact O-N 2.82Å; A356-H360 PolarHBondContact O-N 3.3Å
357	A	49.9	Very low	56	Low	54 Å²	54	70.9 Å²	70.9	45%	0.446	34%	0.338	S	S	.	.	H	α-helix	trans	-70.6	-27.6	-180	0	0	0	0	0	113.6	D355 R361	D355-A357 PolarHBondContact O-N 2.98Å; A357-R361 WeakPolarHBondContact O-CB 3.45Å; A357-R361 VanDerWaalsContact O-CG 3.3Å; A357-R361 WeakPolarHBondContact O-CG 3Å; A357-R361 PolarHBondContact O-N 2.92Å; A357-R361 PolarHBondContact O-NE 3.41Å
358	V	52.8	Low	54.9	Low	43 Å²	43	76.9 Å²	76.9	26%	0.261	37%	0.365	S	S	.	.	H	α-helix	trans	-79.1	-41.7	174.9	176.8	0	0	0	0	109.6	F350 T353 D355 A356 H360 R361 N362	F350-V358 HydrophobicContact CE1-CG1 4.37Å; T353-V358 HydrophobicContact CG2-CG1 4.43Å; D355-V358 HydrophobicContact CB-CB 3.94Å; D355-V358 HydrophobicContact CB-CG2 3.67Å; D355-V358 PolarHBondContact O-N 3.27Å; D355-V358 VanDerWaalsContact O-N 3.11Å; A356-V358 VanDerWaalsContact C-N 3.34Å; A356-V358 PolarHBondContact O-N 3.35Å; V358-H360 PolarHBondContact O-N 3.01Å; V358-R361 PolarHBondContact O-N 3.46Å; V358-N362 WeakPolarHBondContact CG1-ND2 3.42Å; V358-N362 WeakPolarHBondContact O-CB 3.12Å; V358-N362 PolarHBondContact O-N 2.86Å
359	R	49.2	Very low	53.3	Low	93 Å²	93	76.5 Å²	76.5	35%	0.351	37%	0.366	S	S	.	.	H	α-helix	trans	-55.1	-51	174.1	-70.4	-174.9	-75.9	-157	0.9	111.6	F350 R351 T353 K354 D355 A356 W363	F350-R359 WeakPolarHBondContact O-CD 3.24Å; F350-R359 VanDerWaalsContact O-CG 3.23Å; F350-R359 WeakPolarHBondContact O-CG 2.92Å; R351-R359 PolarHBondContact O-NH1 3.32Å; T353-R359 WeakPolarHBondContact O-CD 3.5Å; T353-R359 PolarHBondContact O-NE 3.33Å; T353-R359 PolarHBondContact O-NH1 2.82Å; T353-R359 VanDerWaalsContact O-NH1 3.14Å; K354-R359 PolarHBondContact O-NH2 3.39Å; K354-R359 VanDerWaalsContact O-NH2 3.15Å; D355-R359 WeakPolarHBondContact O-CG 3.14Å; D355-R359 PolarHBondContact O-N 3.14Å; D355-R359 VanDerWaalsContact O-N 3.09Å; A356-R359 PolarHBondContact O-N 2.82Å; R359-W363 WeakPolarHBondContact O-CB 3.34Å; R359-W363 PolarHBondContact O-N 2.66Å; R359-W363 VanDerWaalsContact O-N 3.09Å
360	H	48.4	Very low	51.5	Low	81 Å²	81	78.1 Å²	78.1	38%	0.375	38%	0.38	S	S	.	.	H	α-helix	trans	-70.1	-36.6	-176.4	-139.2	-62.4	0	0	0	113.3	A356 V358	A356-H360 PolarHBondContact O-N 3.3Å; V358-H360 PolarHBondContact O-N 3.01Å
361	R	50.8	Low	50.1	Low	164 Å²	164	79.6 Å²	79.6	62%	0.619	39%	0.389	S	S	*	.	H	α-helix	trans	-70.3	-42.9	179.4	-80.7	-174.5	-92.6	-164.7	-4.9	112.6	A357 V358 Y365	A357-R361 WeakPolarHBondContact O-CB 3.45Å; A357-R361 VanDerWaalsContact O-CG 3.3Å; A357-R361 WeakPolarHBondContact O-CG 3Å; A357-R361 PolarHBondContact O-N 2.92Å; A357-R361 PolarHBondContact O-NE 3.41Å; V358-R361 PolarHBondContact O-N 3.46Å; R361-Y365 WeakPolarHBondContact O-CD2 3.4Å
362	N	52.4	Low	48.6	Very low	26 Å²	26	78.6 Å²	78.6	14%	0.139	40%	0.397	C	S	.	.	H	α-helix	trans	-85.4	-23.2	-174.4	-70.1	-24.9	0	0	0	113.6	L122 F350 V358 N364 Y365 M366	L122-N362 HydrophobicContact CD2-CB 4.48Å; L122-N362 PolarHBondContact O-ND2 3.04Å; F350-N362 HydrophobicContact CD1-CB 4.38Å; F350-N362 HydrophobicContact CE1-CB 3.55Å; F350-N362 WeakPolarHBondContact CE1-ND2 3.47Å; F350-N362 HydrophobicContact CE2-CB 4.22Å; F350-N362 HydrophobicContact CZ-CB 3.44Å; F350-N362 VanDerWaalsContact CZ-CB 3.44Å; V358-N362 WeakPolarHBondContact CG1-ND2 3.42Å; V358-N362 WeakPolarHBondContact O-CB 3.12Å; V358-N362 PolarHBondContact O-N 2.86Å; N362-N364 PolarHBondContact O-N 3.29Å; N362-Y365 PolarHBondContact O-N 3.1Å; N362-M366 PolarHBondContact O-N 3.13Å
363	W	49.2	Very low	47.2	Very low	21 Å²	21	75.2 Å²	75.2	8%	0.08	39%	0.385	C	S	.	.	H	α-helix	trans	-64.9	-37.9	178.8	-171.8	-95.4	0	0	0	113.3	L211 W214 R347 R359 Y365 M366 L367	L211-W363 HydrophobicContact CD1-CB 4.49Å; L211-W363 HydrophobicContact CD1-CD2 4.42Å; L211-W363 HydrophobicContact CD1-CG 3.96Å; L211-W363 HydrophobicContact CD2-CD2 4.23Å; L211-W363 HydrophobicContact CD2-CG 4.27Å; L211-W363 HydrophobicContact CD2-CZ2 4.02Å; W214-W363 HydrophobicContact CH2-CZ2 4.11Å; R347-W363 HydrophobicContact CB-CH2 4.35Å; R347-W363 HydrophobicContact CB-CZ3 4.11Å; R347-W363 HydrophobicContact CG-CH2 3.77Å; R347-W363 HydrophobicContact CG-CZ3 3.76Å; R359-W363 WeakPolarHBondContact O-CB 3.34Å; R359-W363 PolarHBondContact O-N 2.66Å; R359-W363 VanDerWaalsContact O-N 3.09Å; W363-Y365 PolarHBondContact O-N 3.4Å; W363-M366 HydrophobicContact CE3-CE 4.06Å; W363-M366 HydrophobicContact CE3-SD 3.78Å; W363-M366 HydrophobicContact CH2-CE 4.21Å; W363-M366 HydrophobicContact CZ3-CE 3.6Å; W363-M366 HydrophobicContact CZ3-SD 3.9Å; W363-M366 WeakPolarHBondContact O-CB 3.35Å; W363-M366 PolarHBondContact O-N 2.96Å; W363-M366 VanDerWaalsContact O-N 3.1Å; W363-L367 WeakPolarHBondContact O-CG 3.43Å; W363-L367 PolarHBondContact O-N 3.32Å
364	N	44.6	Very low	45.6	Very low	67 Å²	67	76.4 Å²	76.4	36%	0.358	39%	0.39	S	S	.	.	H	α-helix	trans	-62.3	-29.9	174.6	-79.7	-11.8	0	0	0	112.8	N362	N362-N364 PolarHBondContact O-N 3.29Å
365	Y	48.8	Very low	44.7	Very low	119 Å²	119	68.1 Å²	68.1	47%	0.467	36%	0.356	S	S	.	.	H	α-helix	trans	-79.1	-34.7	173.5	-73.9	-82.8	0	0	0	112.2	L122 R361 N362 W363 L367 K368 L369	L122-Y365 HydrophobicContact CD2-CG 4.29Å; R361-Y365 WeakPolarHBondContact O-CD2 3.4Å; N362-Y365 PolarHBondContact O-N 3.1Å; W363-Y365 PolarHBondContact O-N 3.4Å; Y365-L367 VanDerWaalsContact C-N 3.33Å; Y365-L367 PolarHBondContact O-N 3.34Å; Y365-K368 PolarHBondContact O-N 2.88Å; Y365-L369 WeakPolarHBondContact O-CD1 3.33Å; Y365-L369 PolarHBondContact O-N 2.97Å
366	M	47	Very low	43.5	Very low	5 Å²	5	66.7 Å²	66.7	3%	0.025	35%	0.345	C	S	.	.	H	α-helix	trans	-61.7	-38.6	171.2	-82.3	-171.4	57.6	0	0	113.3	L122 Y343 I346 R347 F350 N362 W363 K368 L369 A370	L122-M366 HydrophobicContact CD1-CG 4.48Å; Y343-M366 HydrophobicContact CD2-CE 3.72Å; Y343-M366 HydrophobicContact CE2-CE 3.56Å; I346-M366 HydrophobicContact CB-CE 4.42Å; I346-M366 HydrophobicContact CB-SD 4.48Å; I346-M366 HydrophobicContact CG2-CE 4.05Å; I346-M366 HydrophobicContact CG2-CG 4.19Å; I346-M366 HydrophobicContact CG2-SD 3.51Å; I346-M366 VanDerWaalsContact CG2-SD 3.51Å; R347-M366 HydrophobicContact CB-CE 4.09Å; F350-M366 HydrophobicContact CD2-CG 4.42Å; F350-M366 HydrophobicContact CD2-SD 3.26Å; F350-M366 WeakPolarHBondContact CD2-SD 3.27Å; F350-M366 HydrophobicContact CE2-CG 4.05Å; F350-M366 HydrophobicContact CE2-SD 3.46Å; F350-M366 WeakPolarHBondContact CE2-SD 3.26Å; F350-M366 HydrophobicContact CG-SD 4.41Å; N362-M366 PolarHBondContact O-N 3.13Å; W363-M366 HydrophobicContact CE3-CE 4.06Å; W363-M366 HydrophobicContact CE3-SD 3.78Å; W363-M366 HydrophobicContact CH2-CE 4.21Å; W363-M366 HydrophobicContact CZ3-CE 3.6Å; W363-M366 HydrophobicContact CZ3-SD 3.9Å; W363-M366 WeakPolarHBondContact O-CB 3.35Å; W363-M366 PolarHBondContact O-N 2.96Å; W363-M366 VanDerWaalsContact O-N 3.1Å; M366-K368 VanDerWaalsContact C-N 3.27Å; M366-K368 PolarHBondContact O-N 3.04Å; M366-L369 CarbonylContact O-C 3.58Å; M366-L369 WeakPolarHBondContact O-CB 3.25Å; M366-L369 PolarHBondContact O-N 2.61Å; M366-A370 PolarHBondContact O-N 2.94Å; M366-A370 VanDerWaalsContact O-N 3.13Å
367	L	44.2	Very low	42.3	Very low	69 Å²	69	64.4 Å²	64.4	36%	0.361	33%	0.327	S	S	.	.	H	α-helix	trans	-65.4	-31.2	177.5	-72.5	172.2	0	0	0	112.2	W363 Y365 L369 A370	W363-L367 WeakPolarHBondContact O-CG 3.43Å; W363-L367 PolarHBondContact O-N 3.32Å; Y365-L367 VanDerWaalsContact C-N 3.33Å; Y365-L367 PolarHBondContact O-N 3.34Å; L367-L369 PolarHBondContact O-N 2.77Å; L367-A370 WeakPolarHBondContact O-CB 3.5Å; L367-A370 PolarHBondContact O-N 2.89Å
368	K	44.3	Very low	41.3	Very low	174 Å²	174	65 Å²	65	76%	0.757	33%	0.327	S	S	*	.	H	α-helix	trans	-69.8	-17.4	172.7	-73.2	179.9	178.3	178.1	0	113.7	Y365 M366	Y365-K368 PolarHBondContact O-N 2.88Å; M366-K368 VanDerWaalsContact C-N 3.27Å; M366-K368 PolarHBondContact O-N 3.04Å
369	L	38.3	Very low	40.3	Very low	64 Å²	64	64.7 Å²	64.7	34%	0.335	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-5.4	177.6	-62.7	155.9	0	0	0	112.4	L118 Y365 M366 L367	L118-L369 HydrophobicContact CD1-CD1 4.26Å; L118-L369 HydrophobicContact CD1-CD2 3.98Å; L118-L369 HydrophobicContact CD2-CD1 3.26Å; L118-L369 HydrophobicContact CD2-CD2 4.39Å; L118-L369 HydrophobicContact CD2-CG 4.41Å; L118-L369 HydrophobicContact CG-CD1 4.4Å; Y365-L369 WeakPolarHBondContact O-CD1 3.33Å; Y365-L369 PolarHBondContact O-N 2.97Å; M366-L369 CarbonylContact O-C 3.58Å; M366-L369 WeakPolarHBondContact O-CB 3.25Å; M366-L369 PolarHBondContact O-N 2.61Å; L367-L369 PolarHBondContact O-N 2.77Å
370	A	35.3	Very low	39.3	Very low	43 Å²	43	63 Å²	63	36%	0.355	32%	0.317	S	S	.	.			trans	-69.7	134.4	-175.1	0	0	0	0	0	110.9	Y343 M366 L367	Y343-A370 HydrophobicContact CE2-CB 4.3Å; M366-A370 PolarHBondContact O-N 2.94Å; M366-A370 VanDerWaalsContact O-N 3.13Å; L367-A370 WeakPolarHBondContact O-CB 3.5Å; L367-A370 PolarHBondContact O-N 2.89Å
371	L	36.2	Very low	38.6	Very low	38 Å²	38	61.3 Å²	61.3	20%	0.199	31%	0.312	C	S	.	.			trans	-56.2	150.6	-169.2	-73	112.7	0	0	0	115.6	S336 T339 L340 S373	S336-L371 VanDerWaalsContact O-CD2 3.25Å; S336-L371 WeakPolarHBondContact O-CD2 3.4Å; T339-L371 HydrophobicContact CG2-CD1 3.96Å; T339-L371 HydrophobicContact CG2-CD2 3.7Å; T339-L371 HydrophobicContact CG2-CG 3.58Å; L340-L371 HydrophobicContact CB-CD1 3.88Å; L340-L371 HydrophobicContact CD1-CD1 4.35Å; L371-S373 PolarHBondContact O-N 3.32Å
372	P	32.7	Very low	37.7	Very low	91 Å²	91	58.2 Å²	58.2	59%	0.591	32%	0.315	S	S	*	.	S	Bend	trans	-70.5	108.3	145.3	29.4	-20.3	0	0	0	108
373	S	36.4	Very low	36.9	Very low	36 Å²	36	61.1 Å²	61.1	25%	0.252	33%	0.328	S	S	.	.			trans	81.9	137.9	171	80.1	0	0	0	0	119.2	L371 H473	L371-S373 PolarHBondContact O-N 3.32Å; S373-H473 WeakPolarHBondContact CB-CD2 3.21Å; S373-H473 WeakPolarHBondContact CB-NE2 3.04Å
374	L	31.7	Very low	36	Very low	60 Å²	60	64.3 Å²	64.3	31%	0.314	34%	0.342	S	S	.	.			trans	-99.1	146.3	168	-104.2	131.4	0	0	0	107.8	L340	L340-L374 HydrophobicContact CD1-CD2 3.78Å; L340-L374 HydrophobicContact CD1-CG 4Å; L340-L374 HydrophobicContact CD2-CD2 3.71Å; L340-L374 HydrophobicContact CD2-CG 4.3Å; L340-L374 HydrophobicContact CG-CD2 4.44Å
375	P	35.6	Very low	35.4	Very low	19 Å²	19	65.6 Å²	65.6	12%	0.123	37%	0.371	C	S	.	.			trans	-61	135.7	179.6	-22.5	34.2	0	0	0	112.3	D337 L340 A377 C378	D337-P375 WeakPolarHBondContact OD1-CG 3.47Å; L340-P375 HydrophobicContact CD2-CG 3.83Å; P375-A377 PolarHBondContact O-N 3.36Å; P375-C378 PolarHBondContact O-N 3.29Å; P375-C378 VanDerWaalsContact O-N 3.13Å
376	E	32.4	Very low	34.6	Very low	70 Å²	70	63.7 Å²	63.7	33%	0.327	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-27.9	-178.4	-73.6	177.8	163.9	0	0	113.8	C378 I379 H473	E376-C378 VanDerWaalsContact C-N 3.29Å; E376-C378 PolarHBondContact O-N 2.78Å; E376-I379 PolarHBondContact O-N 2.81Å; E376-H473 HydrophobicContact CG-CB 4.32Å
377	A	29.2	Very low	34	Very low	16 Å²	16	69 Å²	69	13%	0.132	40%	0.398	C	S	.	.	H	α-helix	trans	-63.4	-30.4	-179.8	0	0	0	0	0	113.5	A290 P375 I379	A290-A377 HydrophobicContact CB-CB 4.18Å; P375-A377 PolarHBondContact O-N 3.36Å; A377-I379 VanDerWaalsContact C-N 3.31Å; A377-I379 PolarHBondContact O-N 3.09Å
378	C	28.7	Very low	33.5	Very low	65 Å²	65	69.2 Å²	69.2	44%	0.439	40%	0.396	S	S	.	.	H	α-helix	trans	-77.5	-17.7	178.7	-67.8	0	0	0	0	113	P375 E376	P375-C378 PolarHBondContact O-N 3.29Å; P375-C378 VanDerWaalsContact O-N 3.13Å; E376-C378 VanDerWaalsContact C-N 3.29Å; E376-C378 PolarHBondContact O-N 2.78Å
379	I	31.3	Very low	32.9	Very low	38 Å²	38	64.1 Å²	64.1	20%	0.195	38%	0.382	C	S	.	.	H	α-helix	trans	-82.1	-31.6	-174.6	-60	176.1	0	0	0	111	E376 A377	E376-I379 PolarHBondContact O-N 2.81Å; A377-I379 VanDerWaalsContact C-N 3.31Å; A377-I379 PolarHBondContact O-N 3.09Å
380	R	29	Very low	32.7	Very low	57 Å²	57	66.7 Å²	66.7	22%	0.215	39%	0.393	C	S	.	.	H	α-helix	trans	-82	-23.7	-177.1	-68	-170.2	-160.6	-144.6	-2.2	115.7	C382 E383	R380-C382 PolarHBondContact O-N 2.82Å; R380-E383 PolarHBondContact O-N 3.04Å
381	V	31.9	Very low	32.6	Very low	45 Å²	45	71.5 Å²	71.5	27%	0.273	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-23	-178.6	178.4	0	0	0	0	111.4	I296	I296-V381 HydrophobicContact CD1-CG2 4.36Å; I296-V381 HydrophobicContact CG2-CG2 4.18Å
382	C	32.3	Very low	32.2	Very low	99 Å²	99	72.1 Å²	72.1	67%	0.669	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-3	175	-61.4	0	0	0	0	114.3	R380	R380-C382 PolarHBondContact O-N 2.82Å
383	E	35	Very low	32.1	Very low	88 Å²	88	71.2 Å²	71.2	41%	0.411	40%	0.4	S	S	.	.	S	Bend	trans	-92.1	-9.6	-175.9	-68.6	-178.1	153.9	0	0	113.8	R380	R380-E383 PolarHBondContact O-N 3.04Å
384	K	31.7	Very low	32	Very low	88 Å²	88	75.1 Å²	75.1	38%	0.383	42%	0.418	S	S	.	.	S	Bend	trans	-101.7	120.9	174.9	-66.1	-162.6	-176.9	-159.4	0	109.4	S386 D529	K384-S386 PolarHBondContact O-N 3.1Å; K384-S386 PolarHBondContact O-OG 2.67Å; K384-D529 WeakPolarHBondContact CE-OD1 3.48Å; K384-D529 VanDerWaalsContact NZ-CG 3.35Å; K384-D529 IonicContact NZ-OD1 2.79Å; K384-D529 PolarHBondContact NZ-OD1 3.01Å; K384-D529 IonicContact NZ-OD2 3.73Å
385	G	31.6	Very low	32.1	Very low	94 Å²	94	76.2 Å²	76.2	97%	0.969	43%	0.426	S	S	*	.			trans	-63.7	43.3	-176.9	0	0	0	0	0	117
386	S	31.9	Very low	31.9	Very low	78 Å²	78	79.2 Å²	79.2	55%	0.545	45%	0.448	S	S	.	.	S	Bend	trans	-99.3	121.7	162.9	49.5	0	0	0	0	108.2	K384 F388	K384-S386 PolarHBondContact O-N 3.1Å; K384-S386 PolarHBondContact O-OG 2.67Å; S386-F388 PolarHBondContact O-N 3.04Å; S386-F388 VanDerWaalsContact O-N 3.1Å
387	K	34.6	Very low	31.7	Very low	116 Å²	116	82.3 Å²	82.3	50%	0.504	47%	0.467	S	S	.	.			trans	-58.3	118.2	173.5	-68.7	177.1	-177.7	169.5	0	108.5	S389 E390	K387-S389 PolarHBondContact O-N 2.7Å; K387-E390 HydrophobicContact CB-CG 4.46Å; K387-E390 PolarHBondContact O-N 3.38Å
388	F	33.3	Very low	31.8	Very low	75 Å²	75	89 Å²	89	33%	0.329	50%	0.5	S	S	.	.	H	α-helix	trans	-52	-24.6	177.1	-169	-96.5	0	0	0	112.7	S386 L392 L409	S386-F388 PolarHBondContact O-N 3.04Å; S386-F388 VanDerWaalsContact O-N 3.1Å; F388-L392 HydrophobicContact CD1-CD1 4.07Å; F388-L392 HydrophobicContact CE1-CD1 3.76Å; F388-L409 HydrophobicContact CE1-CB 3.64Å; F388-L409 WeakPolarHBondContact CE1-O 3.48Å; F388-L409 HydrophobicContact CZ-CB 3.93Å
389	S	32.3	Very low	31.8	Very low	66 Å²	66	90.9 Å²	90.9	46%	0.462	51%	0.514	S	S	.	.	H	α-helix	trans	-73.8	-23.9	177.3	56.3	0	0	0	0	116	K387	K387-S389 PolarHBondContact O-N 2.7Å
390	E	32.9	Very low	31.7	Very low	119 Å²	119	96.2 Å²	96.2	56%	0.556	54%	0.543	S	S	*	.	H	α-helix	trans	-82	-16.2	-177.9	-82.5	171.9	-173.8	0	0	113.5	K387 S393	K387-E390 HydrophobicContact CB-CG 4.46Å; K387-E390 PolarHBondContact O-N 3.38Å; E390-S393 PolarHBondContact O-OG 3.02Å
391	W	33.6	Very low	31.5	Very low	144 Å²	144	99.4 Å²	99.4	55%	0.545	57%	0.574	S	S	.	*	H	α-helix	trans	-91.8	-28.4	-179.3	-169.3	73.8	0	0	0	112.7	F297 S393 I394 V395	F297-W391 AromaticContact CD2-CH2 3.89Å; F297-W391 HydrophobicContact CD2-CH2 3.89Å; F297-W391 AromaticContact CE2-CH2 3.99Å; F297-W391 HydrophobicContact CE2-CH2 3.99Å; W391-S393 VanDerWaalsContact C-N 3.32Å; W391-S393 PolarHBondContact O-N 3.14Å; W391-I394 PolarHBondContact O-N 3.26Å; W391-I394 VanDerWaalsContact O-N 3.16Å; W391-V395 HydrophobicContact CD2-CG2 4.35Å; W391-V395 HydrophobicContact CE3-CG2 4.33Å; W391-V395 HydrophobicContact CH2-CG2 4.17Å; W391-V395 HydrophobicContact CZ2-CG2 4.18Å; W391-V395 HydrophobicContact CZ3-CG2 4.25Å
392	L	28.5	Very low	31.3	Very low	50 Å²	50	103.6 Å²	103.6	26%	0.262	60%	0.599	S	S	.	*	H	α-helix	trans	-71.2	-23.6	178.6	-81.8	162.2	0	0	0	113.7	F388 I394 S396 D407	F388-L392 HydrophobicContact CD1-CD1 4.07Å; F388-L392 HydrophobicContact CE1-CD1 3.76Å; L392-I394 PolarHBondContact O-N 3.31Å; L392-S396 PolarHBondContact O-N 2.86Å; L392-S396 PolarHBondContact O-OG 3.19Å; L392-D407 WeakPolarHBondContact CD1-OD2 2.95Å; L392-D407 WeakPolarHBondContact CD2-OD2 3.44Å
393	S	30.4	Very low	31.1	Very low	72 Å²	72	107.7 Å²	107.7	50%	0.503	61%	0.609	S	S	.	*	H	α-helix	trans	-71.6	-17.4	171.3	53.2	0	0	0	0	113.4	E390 W391 S396	E390-S393 PolarHBondContact O-OG 3.02Å; W391-S393 VanDerWaalsContact C-N 3.32Å; W391-S393 PolarHBondContact O-N 3.14Å; S393-S396 PolarHBondContact O-OG 3.34Å
394	I	34.5	Very low	30.7	Very low	119 Å²	119	109 Å²	109	61%	0.61	63%	0.628	S	S	*	*	H	α-helix	trans	-90.1	-27.1	179.4	-59.7	174	0	0	0	111	W391 L392	W391-I394 PolarHBondContact O-N 3.26Å; W391-I394 VanDerWaalsContact O-N 3.16Å; L392-I394 PolarHBondContact O-N 3.31Å
395	V	34.1	Very low	30.5	Very low	82 Å²	82	113.6 Å²	113.6	50%	0.497	65%	0.651	S	S	.	*	H	α-helix	trans	-90.5	-9.5	-177.4	-176.1	0	0	0	0	112.6	W391	W391-V395 HydrophobicContact CD2-CG2 4.35Å; W391-V395 HydrophobicContact CE3-CG2 4.33Å; W391-V395 HydrophobicContact CH2-CG2 4.17Å; W391-V395 HydrophobicContact CZ2-CG2 4.18Å; W391-V395 HydrophobicContact CZ3-CG2 4.25Å
396	S	31.8	Very low	30.6	Very low	83 Å²	83	118 Å²	118	58%	0.58	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92	6.7	179.8	39.3	0	0	0	0	114.7	L392 S393 D398	L392-S396 PolarHBondContact O-N 2.86Å; L392-S396 PolarHBondContact O-OG 3.19Å; S393-S396 PolarHBondContact O-OG 3.34Å; S396-D398 PolarHBondContact O-N 2.58Å
397	N	27.7	Very low	30.6	Very low	135 Å²	135	117 Å²	117	72%	0.722	63%	0.634	S	S	*	*			trans	-91.4	71.6	170.4	-75.9	-21.5	0	0	0	110.6
398	D	31.5	Very low	30.4	Very low	155 Å²	155	113.5 Å²	113.5	83%	0.829	62%	0.623	S	S	*	*	S	Bend	trans	-145.2	119.6	146.4	-95.8	-29	0	0	0	107.6	S396 D400	S396-D398 PolarHBondContact O-N 2.58Å; D398-D400 PolarHBondContact O-N 2.84Å
399	S	27.3	Very low	30.3	Very low	105 Å²	105	112.3 Å²	112.3	73%	0.734	62%	0.62	S	S	*	*			trans	-59.8	118.8	-165.9	50.5	0	0	0	0	113.9
400	D	29.3	Very low	30.2	Very low	151 Å²	151	110.9 Å²	110.9	81%	0.807	61%	0.613	S	S	*	*			trans	-170.5	130.9	133.1	-91.1	-26.3	0	0	0	110.1	D398 V402	D398-D400 PolarHBondContact O-N 2.84Å; D400-V402 PolarHBondContact O-N 2.82Å
401	S	24.5	Very low	30	Very low	124 Å²	124	109.5 Å²	109.5	87%	0.867	61%	0.609	S	S	*	*			trans	-63	94.6	-173.1	53.6	0	0	0	0	112.7
402	V	29.1	Very low	29.8	Very low	132 Å²	132	108.4 Å²	108.4	80%	0.8	61%	0.608	S	S	*	*			trans	-131.6	127.7	165.7	-177	0	0	0	0	108.9	D400 S404	D400-V402 PolarHBondContact O-N 2.82Å; V402-S404 PolarHBondContact O-N 3.35Å
403	Q	27.3	Very low	29.8	Very low	185 Å²	185	107.3 Å²	107.3	86%	0.864	61%	0.605	S	S	*	*			trans	-44.9	131.7	-176.5	-68.3	173.5	-25.4	0	0	112.4	E405	Q403-E405 PolarHBondContact O-N 3.47Å
404	S	26.2	Very low	29.6	Very low	117 Å²	117	113.3 Å²	113.3	82%	0.818	62%	0.618	S	S	*	*			trans	-55.2	98.3	-174.9	58	0	0	0	0	113.1	V402 H406	V402-S404 PolarHBondContact O-N 3.35Å; S404-H406 PolarHBondContact O-N 3.44Å
405	E	28.5	Very low	29.3	Very low	183 Å²	183	110.4 Å²	110.4	86%	0.855	61%	0.612	S	S	*	*			trans	-74.8	117.6	162.3	-77.8	-171.8	159	0	0	109.1	Q403 D407	Q403-E405 PolarHBondContact O-N 3.47Å; E405-D407 PolarHBondContact O-N 3.4Å
406	H	32.6	Very low	29	Very low	186 Å²	186	113 Å²	113	86%	0.861	62%	0.618	S	S	*	*			trans	-50	125.8	177.2	-99.7	-74.9	0	0	0	112.4	S404 P408	S404-H406 PolarHBondContact O-N 3.44Å; H406-P408 WeakPolarHBondContact O-CD 3.49Å
407	D	32.5	Very low	28.7	Very low	59 Å²	59	114 Å²	114	32%	0.316	63%	0.625	S	S	.	*			trans	-75.7	113.9	-178.6	-162.7	-11.7	0	0	0	111.2	L392 E405 L409 A410	L392-D407 WeakPolarHBondContact CD1-OD2 2.95Å; L392-D407 WeakPolarHBondContact CD2-OD2 3.44Å; E405-D407 PolarHBondContact O-N 3.4Å; D407-L409 PolarHBondContact O-N 2.83Å; D407-L409 PolarHBondContact OD1-N 3.28Å; D407-A410 HydrophobicContact CB-CB 4.35Å; D407-A410 WeakPolarHBondContact O-CB 3.25Å; D407-A410 PolarHBondContact O-N 3.31Å; D407-A410 VanDerWaalsContact O-N 3.07Å
408	P	31.5	Very low	28.8	Very low	42 Å²	42	110.2 Å²	110.2	27%	0.273	62%	0.618	S	S	.	*	T	Hydrogen-bonded Turn	trans	-65.1	-9.9	-177.9	26.3	-35	0	0	0	114	K348 H406	K348-P408 HydrophobicContact CD-CG 4.12Å; H406-P408 WeakPolarHBondContact O-CD 3.49Å
409	L	30.9	Very low	28.9	Very low	49 Å²	49	111.1 Å²	111.1	26%	0.257	62%	0.617	S	S	.	*	T	Hydrogen-bonded Turn	trans	-88.8	-18.2	175.7	-70.3	161.8	0	0	0	113.1	F388 D407 D411 F412	F388-L409 HydrophobicContact CE1-CB 3.64Å; F388-L409 WeakPolarHBondContact CE1-O 3.48Å; F388-L409 HydrophobicContact CZ-CB 3.93Å; D407-L409 PolarHBondContact O-N 2.83Å; D407-L409 PolarHBondContact OD1-N 3.28Å; L409-D411 VanDerWaalsContact C-N 3.27Å; L409-D411 PolarHBondContact O-N 3.5Å; L409-F412 HydrophobicContact CD2-CD2 4.41Å; L409-F412 HydrophobicContact CD2-CE2 4.31Å; L409-F412 PolarHBondContact O-N 3.16Å
410	A	29.4	Very low	29.2	Very low	37 Å²	37	107 Å²	107	31%	0.306	59%	0.589	S	S	.	*	G	3₁₀ helix	trans	-72.3	-18.6	177.3	0	0	0	0	0	113.4	D407 F412 S413	D407-A410 HydrophobicContact CB-CB 4.35Å; D407-A410 WeakPolarHBondContact O-CB 3.25Å; D407-A410 PolarHBondContact O-N 3.31Å; D407-A410 VanDerWaalsContact O-N 3.07Å; A410-F412 PolarHBondContact O-N 3.05Å; A410-S413 PolarHBondContact O-N 3.47Å; A410-S413 PolarHBondContact O-OG 3.15Å
411	D	29.2	Very low	29.6	Very low	90 Å²	90	101.3 Å²	101.3	48%	0.481	56%	0.56	S	S	.	*	G	3₁₀ helix	trans	-69.7	-13.4	173.8	-82.9	-10	0	0	0	113.4	R351 L409 S413	R351-D411 IonicContact CZ-OD2 3.6Å; R351-D411 IonicContact NH1-OD2 2.69Å; R351-D411 PolarHBondContact NH1-OD2 3.02Å; R351-D411 IonicContact NH2-OD2 2.94Å; R351-D411 PolarHBondContact NH2-OD2 3.49Å; L409-D411 VanDerWaalsContact C-N 3.27Å; L409-D411 PolarHBondContact O-N 3.5Å; D411-S413 VanDerWaalsContact C-N 3.35Å
412	F	28.8	Very low	30.5	Very low	120 Å²	120	98 Å²	98	53%	0.526	53%	0.532	S	S	.	.	G	3₁₀ helix	trans	-76.6	-20.7	177.7	-76.1	-89.4	0	0	0	113	L409 A410	L409-F412 HydrophobicContact CD2-CD2 4.41Å; L409-F412 HydrophobicContact CD2-CE2 4.31Å; L409-F412 PolarHBondContact O-N 3.16Å; A410-F412 PolarHBondContact O-N 3.05Å
413	S	28.2	Very low	31	Very low	28 Å²	28	94.2 Å²	94.2	20%	0.196	51%	0.507	C	S	.	.	G	3₁₀ helix	trans	-82.5	-7.8	179.3	42.4	0	0	0	0	115.1	A410 D411 A415	A410-S413 PolarHBondContact O-N 3.47Å; A410-S413 PolarHBondContact O-OG 3.15Å; D411-S413 VanDerWaalsContact C-N 3.35Å; S413-A415 VanDerWaalsContact C-N 3.3Å
414	Y	26.9	Very low	31.8	Very low	198 Å²	198	87.1 Å²	87.1	78%	0.776	47%	0.474	S	S	*	.	G	3₁₀ helix	trans	-85.4	2.5	174.5	-94.7	-85.5	0	0	0	114
415	A	28.1	Very low	32.6	Very low	58 Å²	58	83.3 Å²	83.3	48%	0.479	44%	0.444	S	S	.	.	G	3₁₀ helix	trans	-92.4	5.7	179.8	0	0	0	0	0	114.3	S413 S417	S413-A415 VanDerWaalsContact C-N 3.3Å; A415-S417 VanDerWaalsContact C-N 3.31Å; A415-S417 PolarHBondContact O-N 3.02Å
416	E	27.3	Very low	33.5	Very low	136 Å²	136	78.3 Å²	78.3	64%	0.636	42%	0.417	S	S	*	.	S	Bend	trans	-82	-0.1	-176.7	-69.4	-174.6	168.9	0	0	114.5
417	S	26	Very low	34.1	Very low	104 Å²	104	70.5 Å²	70.5	73%	0.727	38%	0.382	S	S	*	.	S	Bend	trans	-120.3	98.8	174.7	66.7	0	0	0	0	112	A415	A415-S417 VanDerWaalsContact C-N 3.31Å; A415-S417 PolarHBondContact O-N 3.02Å
418	G	28.8	Very low	34.9	Very low	55 Å²	55	73.8 Å²	73.8	57%	0.567	39%	0.39	S	S	*	.			trans	94.8	82.5	168.3	0	0	0	0	0	114.7	S420	G418-S420 PolarHBondContact O-N 2.89Å
419	Q	33.6	Very low	35.7	Very low	175 Å²	175	72.6 Å²	72.6	82%	0.818	38%	0.381	S	S	*	.			trans	-77.1	103.6	179	-66.7	-178.7	-11.3	0	0	110.9
420	S	34.1	Very low	36.4	Very low	19 Å²	19	72.8 Å²	72.8	13%	0.133	38%	0.382	C	S	.	.			trans	-83.6	144.8	171.3	75.9	0	0	0	0	111.5	W214 I216 G418	W214-S420 PolarHBondContact O-OG 3.47Å; I216-S420 PolarHBondContact N-OG 3.46Å; G418-S420 PolarHBondContact O-N 2.89Å
421	P	38.6	Very low	36.8	Very low	31 Å²	31	73.4 Å²	73.4	20%	0.201	38%	0.382	C	S	.	.			trans	-64.2	138.6	-177.9	24.3	-32.5	0	0	0	111.2	P218 L423 R481	P218-P421 WeakPolarHBondContact CA-O 3.24Å; P218-P421 HydrophobicContact CB-CG 4.47Å; P218-P421 WeakPolarHBondContact CB-O 3.35Å; P421-L423 VanDerWaalsContact C-N 3.29Å; P421-R481 VanDerWaalsContact CA-O 3.27Å; P421-R481 WeakPolarHBondContact CA-O 3.47Å; P421-R481 WeakPolarHBondContact CB-O 3.14Å
422	I	43.9	Very low	37.6	Very low	55 Å²	55	71.1 Å²	71.1	28%	0.282	37%	0.372	S	S	.	.	S	Bend	trans	-67.1	-35.9	172.8	-75.3	169.9	0	0	0	110.3	E219 R220 R481	E219-I422 HydrophobicContact CB-CG2 4.14Å; E219-I422 WeakPolarHBondContact CB-O 3.18Å; E219-I422 PolarHBondContact N-O 3.02Å; R220-I422 PolarHBondContact N-O 3.09Å; R220-I422 VanDerWaalsContact N-O 3.09Å; I422-R481 HydrophobicContact CB-CB 4.33Å; I422-R481 VanDerWaalsContact CD1-CD 3.46Å; I422-R481 VanDerWaalsContact CD1-NH1 3.31Å; I422-R481 HydrophobicContact CG1-CB 4.5Å; I422-R481 VanDerWaalsContact CG1-CD 3.41Å; I422-R481 VanDerWaalsContact CG1-NH1 3.3Å
423	L	39	Very low	38	Very low	52 Å²	52	67.1 Å²	67.1	27%	0.272	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	123	-176.6	-169.7	81.4	0	0	0	108.5	R220 L222 P421	R220-L423 HydrophobicContact CB-CD1 3.76Å; R220-L423 VanDerWaalsContact O-CA 3.32Å; R220-L423 WeakPolarHBondContact O-CA 3.13Å; L222-L423 HydrophobicContact CD1-CD1 3.41Å; L222-L423 VanDerWaalsContact CD1-CD1 3.41Å; L222-L423 HydrophobicContact CD1-CG 4.18Å; P421-L423 VanDerWaalsContact C-N 3.29Å
424	Q	44.4	Very low	38.6	Very low	36 Å²	36	68.5 Å²	68.5	17%	0.168	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	119.3	169.5	-176.9	172.4	24.7	0	0	109	P218 R220 T221 L222 R426	P218-Q424 HydrophobicContact CB-CB 4.09Å; P218-Q424 HydrophobicContact CG-CB 3.91Å; R220-Q424 PolarHBondContact O-N 3.1Å; T221-Q424 CarbonylContact C-O 3.58Å; T221-Q424 WeakPolarHBondContact CA-O 3.24Å; T221-Q424 HydrophobicContact CG2-CB 4.17Å; T221-Q424 HydrophobicContact CG2-CG 4.36Å; L222-Q424 PolarHBondContact N-O 3.29Å; Q424-R426 HydrophobicContact CG-CG 4.21Å
425	L	42.3	Very low	39.1	Very low	37 Å²	37	60.5 Å²	60.5	19%	0.194	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	119.8	176.1	-171.3	107.1	0	0	0	109.5	L222 I224 L427 L484	L222-L425 HydrophobicContact CB-CD1 4.23Å; L222-L425 CarbonylContact O-C 3.34Å; L222-L425 WeakPolarHBondContact O-CA 3.18Å; I224-L425 HydrophobicContact CD1-CD1 4.09Å; L425-L427 HydrophobicContact CD2-CD1 3.76Å; L425-L427 HydrophobicContact CD2-CD2 3.81Å; L425-L427 HydrophobicContact CD2-CG 3.61Å; L425-L427 HydrophobicContact CG-CD2 4.22Å; L425-L427 HydrophobicContact CG-CG 4.31Å; L425-L484 HydrophobicContact CD2-CD1 3.42Å; L425-L484 VanDerWaalsContact CD2-CD1 3.42Å
426	R	46.7	Very low	39.6	Very low	78 Å²	78	61.2 Å²	61.2	29%	0.294	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	121	174.4	-48.3	-163.6	-167.4	123.2	-4.8	109.2	L222 D223 I224 Q424	L222-R426 PolarHBondContact O-N 2.81Å; D223-R426 VanDerWaalsContact OD1-CB 3.24Å; D223-R426 WeakPolarHBondContact OD1-CB 3.37Å; D223-R426 WeakPolarHBondContact OD1-CD 3.35Å; D223-R426 WeakPolarHBondContact OD1-CG 3.45Å; D223-R426 IonicContact OD1-CZ 3.19Å; D223-R426 IonicContact OD1-NE 3.81Å; D223-R426 IonicContact OD1-NH1 3.16Å; D223-R426 PolarHBondContact OD1-NH1 3.24Å; D223-R426 IonicContact OD2-NH1 3.8Å; D223-R426 PolarHBondContact OD2-NH1 3.49Å; I224-R426 PolarHBondContact N-O 3.4Å; Q424-R426 HydrophobicContact CG-CG 4.21Å
427	L	46.9	Very low	40	Very low	21 Å²	21	57.7 Å²	57.7	11%	0.11	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	123.7	179.4	-62.1	177	0	0	0	109.7	I224 L425 I463 L484 I485	I224-L427 HydrophobicContact CB-CD2 3.79Å; I224-L427 HydrophobicContact CD1-CD2 3.85Å; I224-L427 HydrophobicContact CG1-CD2 4.18Å; I224-L427 HydrophobicContact CG2-CD2 4.34Å; L425-L427 HydrophobicContact CD2-CD1 3.76Å; L425-L427 HydrophobicContact CD2-CD2 3.81Å; L425-L427 HydrophobicContact CD2-CG 3.61Å; L425-L427 HydrophobicContact CG-CD2 4.22Å; L425-L427 HydrophobicContact CG-CG 4.31Å; L427-I463 HydrophobicContact CD1-CD1 3.58Å; L427-L484 HydrophobicContact CD1-CD1 4.18Å; L427-I485 PolarHBondContact N-O 3.48Å
428	R	48.5	Very low	40.5	Very low	128 Å²	128	57 Å²	57	48%	0.483	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	127.5	171.4	-64.1	-178.4	-174.4	161.6	4.1	109	I224 D225 I226	I224-R428 PolarHBondContact O-N 2.79Å; D225-R428 HydrophobicContact CB-CB 4.39Å; I226-R428 PolarHBondContact N-O 3.28Å
429	L	49.1	Very low	40.9	Very low	18 Å²	18	59 Å²	59	9%	0.094	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	117.4	-178.8	-69.9	158	0	0	0	107.9	I226 L229 V432	I226-L429 HydrophobicContact CB-CD2 3.89Å; I226-L429 HydrophobicContact CD1-CD2 3.76Å; I226-L429 HydrophobicContact CG1-CD2 4.38Å; I226-L429 HydrophobicContact CG2-CD2 4.14Å; L229-L429 HydrophobicContact CD2-CD2 4.27Å; L429-V432 HydrophobicContact CB-CG2 4.01Å; L429-V432 HydrophobicContact CD1-CG2 4.06Å; L429-V432 HydrophobicContact CD2-CG2 3.84Å; L429-V432 HydrophobicContact CG-CG2 4.2Å
430	N	44.9	Very low	41.1	Very low	53 Å²	53	55.9 Å²	55.9	28%	0.283	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	-38	177.9	-71.7	-32.8	0	0	0	111.9	I226 G227	I226-N430 PolarHBondContact O-N 3.4Å; G227-N430 VanDerWaalsContact O-CB 3.3Å; G227-N430 WeakPolarHBondContact O-CB 3.47Å
431	T	38.5	Very low	41	Very low	49 Å²	49	58.4 Å²	58.4	30%	0.301	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	135.6	176.7	50.1	0	0	0	0	110.8	G227 F228 L229 K490	G227-T431 PolarHBondContact O-N 3.47Å; G227-T431 PolarHBondContact O-OG1 3.25Å; F228-T431 WeakPolarHBondContact CA-OG1 3.49Å; F228-T431 WeakPolarHBondContact CD2-OG1 3.27Å; L229-T431 PolarHBondContact N-O 3.43Å; L229-T431 VanDerWaalsContact N-O 3.11Å; T431-K490 HydrophobicContact CG2-CD 4.48Å
432	V	45.1	Very low	41	Very low	43 Å²	43	61.7 Å²	61.7	26%	0.261	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	129.3	175.6	-179.5	0	0	0	0	108.3	L229 L429 I434 V461	L229-V432 HydrophobicContact CD2-CG1 4.49Å; L229-V432 WeakPolarHBondContact O-CA 3.48Å; L429-V432 HydrophobicContact CB-CG2 4.01Å; L429-V432 HydrophobicContact CD1-CG2 4.06Å; L429-V432 HydrophobicContact CD2-CG2 3.84Å; L429-V432 HydrophobicContact CG-CG2 4.2Å; V432-I434 HydrophobicContact CG1-CD1 4.31Å; V432-I434 HydrophobicContact CG1-CG1 3.92Å; V432-V461 HydrophobicContact CG1-CG2 4.45Å
433	S	37.1	Very low	40.4	Very low	36 Å²	36	64.7 Å²	64.7	25%	0.252	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	122.3	169.3	57.3	0	0	0	0	108.6	F228 L229 R230 L231	F228-S433 WeakPolarHBondContact CZ-OG 3.13Å; L229-S433 PolarHBondContact O-N 3.49Å; L229-S433 PolarHBondContact O-OG 2.83Å; R230-S433 WeakPolarHBondContact CA-O 3.28Å; R230-S433 WeakPolarHBondContact CA-OG 3.41Å; R230-S433 WeakPolarHBondContact CB-OG 3.4Å; L231-S433 PolarHBondContact N-O 2.82Å
434	I	42	Very low	40.3	Very low	56 Å²	56	66.9 Å²	66.9	29%	0.287	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	135.9	175.2	-58.4	175.3	0	0	0	105.8	V432 L455	V432-I434 HydrophobicContact CG1-CD1 4.31Å; V432-I434 HydrophobicContact CG1-CG1 3.92Å; I434-L455 WeakPolarHBondContact O-CD1 3.11Å; I434-L455 WeakPolarHBondContact O-CD2 3.11Å
435	S	37.3	Very low	39.5	Very low	30 Å²	30	69 Å²	69	21%	0.21	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	132.6	172	46.8	0	0	0	0	110.6	L231 K232 W233	L231-S435 PolarHBondContact O-N 2.81Å; L231-S435 PolarHBondContact O-OG 2.8Å; K232-S435 WeakPolarHBondContact CA-O 3.48Å; K232-S435 WeakPolarHBondContact CG-OG 3.46Å; W233-S435 PolarHBondContact N-O 3.44Å
436	A	36.9	Very low	39	Very low	73 Å²	73	76 Å²	76	60%	0.603	46%	0.457	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.2	127.8	174	0	0	0	0	0	107.9	W233	W233-A436 WeakPolarHBondContact O-CA 3.37Å
437	C	37.4	Very low	38.3	Very low	62 Å²	62	77.3 Å²	77.3	42%	0.419	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	125.4	179.9	-66.6	0	0	0	0	108.6	W233 T234	W233-C437 PolarHBondContact O-N 3.41Å; T234-C437 HydrophobicContact CG2-CB 3.91Å
438	S	35.7	Very low	37.3	Very low	89 Å²	89	87.7 Å²	87.7	62%	0.622	50%	0.504	S	S	*	.			trans	-90.7	-9.2	-171.6	56.3	0	0	0	0	115.1
439	T	37.5	Very low	36.4	Very low	98 Å²	98	88.3 Å²	88.3	60%	0.601	51%	0.512	S	S	*	.			trans	-147.1	121.6	-177.5	54.6	0	0	0	0	112.3	C441	T439-C441 PolarHBondContact O-N 3.48Å
440	E	37.1	Very low	35.5	Very low	109 Å²	109	93.2 Å²	93.2	51%	0.509	54%	0.538	S	S	.	.			trans	-81.2	102.8	163.3	-70.3	179.1	172.2	0	0	107.9	R162 S236 S442	R162-E440 IonicContact NH1-OE1 2.75Å; S236-E440 VanDerWaalsContact OG-CD 3.28Å; S236-E440 PolarHBondContact OG-OE1 2.96Å; E440-S442 PolarHBondContact O-N 3.43Å
441	C	32.9	Very low	34.8	Very low	73 Å²	73	97.7 Å²	97.7	49%	0.493	56%	0.561	S	S	.	*			trans	-80.7	117	170.6	-79.9	0	0	0	0	109	T439 D443	T439-C441 PolarHBondContact O-N 3.48Å; C441-D443 PolarHBondContact O-N 2.96Å
442	S	38.7	Very low	34.1	Very low	100 Å²	100	101 Å²	101	70%	0.699	59%	0.585	S	S	*	*	S	Bend	trans	-71.9	-14.3	179.8	45.4	0	0	0	0	114.5	E440	E440-S442 PolarHBondContact O-N 3.43Å
443	D	30.1	Very low	33.3	Very low	117 Å²	117	109.3 Å²	109.3	63%	0.626	61%	0.612	S	S	*	*	S	Bend	trans	-121.4	130.3	-177	-62.1	-42	0	0	0	108.2	C441 S445	C441-D443 PolarHBondContact O-N 2.96Å; D443-S445 PolarHBondContact O-N 2.93Å; D443-S445 PolarHBondContact O-OG 2.89Å
444	G	36.5	Very low	32.9	Very low	98 Å²	98	113.3 Å²	113.3	100%	1.01	63%	0.627	S	S	*	*			trans	-63.1	32.5	-174	0	0	0	0	0	117.1
445	S	29.1	Very low	32.3	Very low	82 Å²	82	115.2 Å²	115.2	57%	0.573	64%	0.637	S	S	*	*	S	Bend	trans	-75.4	138.2	160.7	53	0	0	0	0	110.3	D443 E447	D443-S445 PolarHBondContact O-N 2.93Å; D443-S445 PolarHBondContact O-OG 2.89Å; S445-E447 PolarHBondContact O-N 2.95Å
446	E	31.5	Very low	31.7	Very low	184 Å²	184	120.9 Å²	120.9	86%	0.86	66%	0.662	S	S	*	*			trans	-33.8	122.9	-175.3	-66.8	-168.6	153.9	0	0	113.5	R448	E446-R448 PolarHBondContact O-N 3.22Å
447	E	31.5	Very low	31.3	Very low	104 Å²	104	119.3 Å²	119.3	49%	0.486	64%	0.644	S	S	.	*			trans	-44.4	120	158.8	-73.3	-174.7	160.7	0	0	106.7	S445 H449	S445-E447 PolarHBondContact O-N 2.95Å; E447-H449 PolarHBondContact O-N 2.91Å; E447-H449 IonicContact OE2-CE1 3.63Å; E447-H449 PolarHBondContact OE2-CE1 2.86Å; E447-H449 IonicContact OE2-ND1 3.76Å; E447-H449 PolarHBondContact OE2-ND1 3.35Å
448	R	26.3	Very low	30.8	Very low	239 Å²	239	118.2 Å²	118.2	90%	0.902	64%	0.639	S	S	*	*			trans	-65.6	85.5	156.1	-83.8	-174.3	177.3	169.1	0.5	105.6	E446 L450	E446-R448 PolarHBondContact O-N 3.22Å; R448-L450 PolarHBondContact O-N 3.5Å
449	H	29.5	Very low	30.5	Very low	141 Å²	141	118.1 Å²	118.1	65%	0.653	64%	0.639	S	S	*	*			trans	-50.1	113.4	163.7	-68.4	-51.1	0	0	0	105.6	E447 L451	E447-H449 PolarHBondContact O-N 2.91Å; E447-H449 IonicContact OE2-CE1 3.63Å; E447-H449 PolarHBondContact OE2-CE1 2.86Å; E447-H449 IonicContact OE2-ND1 3.76Å; E447-H449 PolarHBondContact OE2-ND1 3.35Å; H449-L451 PolarHBondContact O-N 3.34Å
450	L	31	Very low	30.1	Very low	122 Å²	122	117 Å²	117	64%	0.639	63%	0.634	S	S	*	*			trans	-55.8	106.5	150	-85.7	157.6	0	0	0	104.5	R448 S452	R448-L450 PolarHBondContact O-N 3.5Å; L450-S452 PolarHBondContact O-N 2.84Å
451	L	28.6	Very low	29.6	Very low	146 Å²	146	114.6 Å²	114.6	76%	0.764	63%	0.627	S	S	*	*			trans	-44.3	133.4	-176.7	-82.4	158.9	0	0	0	109.3	H449 R453	H449-L451 PolarHBondContact O-N 3.34Å; L451-R453 PolarHBondContact O-N 2.85Å
452	S	25.1	Very low	29.4	Very low	118 Å²	118	120.6 Å²	120.6	83%	0.825	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.7	53.3	-172.6	49.6	0	0	0	0	115.5	L450	L450-S452 PolarHBondContact O-N 2.84Å
453	R	27	Very low	28.9	Very low	219 Å²	219	118.5 Å²	118.5	83%	0.826	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.4	-3.2	174	-87.2	-176.2	168.9	177.2	-2.8	114.7	L451	L451-R453 PolarHBondContact O-N 2.85Å
454	E	30.2	Very low	28.8	Very low	120 Å²	120	118.9 Å²	118.9	56%	0.561	62%	0.621	S	S	*	*	S	Bend	trans	-114.1	7.3	-170	-63.3	-175.6	156.9	0	0	115.8	N497	E454-N497 PolarHBondContact OE1-ND2 2.78Å
455	L	28.6	Very low	28.4	Very low	95 Å²	95	118.5 Å²	118.5	50%	0.497	60%	0.595	S	S	.	*	S	Bend	trans	-137.6	8.8	176.6	-87.1	163.6	0	0	0	115.4	I434	I434-L455 WeakPolarHBondContact O-CD1 3.11Å; I434-L455 WeakPolarHBondContact O-CD2 3.11Å
456	M	24.9	Very low	28.4	Very low	149 Å²	149	119.3 Å²	119.3	73%	0.734	59%	0.593	S	S	*	*	S	Bend	trans	-65.4	133.2	142.7	-67.4	-84.5	-95.8	0	0	103.5
457	N	27.4	Very low	28.4	Very low	41 Å²	41	112.9 Å²	112.9	22%	0.219	56%	0.563	C	S	.	*			trans	98.9	75.6	179	-39.1	-35.7	0	0	0	117	S459 Y493 L494 N495	N457-S459 PolarHBondContact O-N 2.81Å; N457-Y493 WeakPolarHBondContact CA-O 3.27Å; N457-Y493 WeakPolarHBondContact CB-O 3.34Å; N457-Y493 VanDerWaalsContact CG-C 3.48Å; N457-Y493 PolarHBondContact OD1-O 3.46Å; N457-L494 HydrophobicContact CB-CB 4.45Å; N457-L494 HydrophobicContact CB-CD2 3.62Å; N457-L494 HydrophobicContact CB-CG 4.15Å; N457-L494 VanDerWaalsContact CG-CA 3.4Å; N457-L494 PolarHBondContact OD1-N 3.25Å; N457-N495 WeakPolarHBondContact ND2-CB 3.48Å; N457-N495 PolarHBondContact ND2-N 3.43Å
458	A	27.6	Very low	28.5	Very low	39 Å²	39	111.5 Å²	111.5	32%	0.322	57%	0.565	S	S	.	*			trans	-72.8	110.8	160.1	0	0	0	0	0	109.6	V492	A458-V492 WeakPolarHBondContact O-CG1 3.4Å
459	S	29.3	Very low	28.7	Very low	87 Å²	87	101.1 Å²	101.1	61%	0.608	53%	0.532	S	S	*	.	S	Bend	trans	-74.7	-22.7	-175.6	54.1	0	0	0	0	114.9	N457 L494	N457-S459 PolarHBondContact O-N 2.81Å; S459-L494 VanDerWaalsContact CA-CD2 3.45Å
460	S	28.3	Very low	28.9	Very low	73 Å²	73	97.4 Å²	97.4	51%	0.51	52%	0.517	S	S	.	.			trans	-168.5	136.8	167.9	57.2	0	0	0	0	107.5	R462	S460-R462 PolarHBondContact O-N 3.45Å
461	V	28.7	Very low	29.1	Very low	60 Å²	60	92.6 Å²	92.6	36%	0.364	49%	0.493	S	S	.	.			trans	-91	99.3	168.4	179.6	0	0	0	0	106.7	V432 I463	V432-V461 HydrophobicContact CG1-CG2 4.45Å; V461-I463 HydrophobicContact CG1-CG1 4.03Å; V461-I463 PolarHBondContact O-N 3.11Å
462	R	27.1	Very low	29.5	Very low	199 Å²	199	90.3 Å²	90.3	75%	0.751	48%	0.478	S	S	*	.			trans	-89.8	98.9	177.4	-152.1	-172.2	-66.2	-173.6	1.7	108.3	S460 I464	S460-R462 PolarHBondContact O-N 3.45Å; R462-I464 HydrophobicContact CG-CD1 4.45Å; R462-I464 HydrophobicContact CG-CG1 4.08Å; R462-I464 PolarHBondContact O-N 3.49Å
463	I	29	Very low	30.3	Very low	56 Å²	56	86 Å²	86	29%	0.287	45%	0.445	S	S	.	.			trans	-84	95	170.8	-54.7	177.5	0	0	0	106.9	L427 V461 L465	L427-I463 HydrophobicContact CD1-CD1 3.58Å; V461-I463 HydrophobicContact CG1-CG1 4.03Å; V461-I463 PolarHBondContact O-N 3.11Å; I463-L465 HydrophobicContact CG2-CD2 4.27Å; I463-L465 HydrophobicContact CG2-CG 4.19Å; I463-L465 PolarHBondContact O-N 3.3Å
464	I	27.4	Very low	30.6	Very low	125 Å²	125	79 Å²	79	64%	0.641	42%	0.423	S	S	*	.			trans	-86.8	103.4	168.3	-59.1	174	0	0	0	105.8	R462 D466	R462-I464 HydrophobicContact CG-CD1 4.45Å; R462-I464 HydrophobicContact CG-CG1 4.08Å; R462-I464 PolarHBondContact O-N 3.49Å; I464-D466 PolarHBondContact O-N 2.67Å; I464-D466 VanDerWaalsContact O-N 3.14Å
465	L	29	Very low	30.8	Very low	89 Å²	89	74.6 Å²	74.6	47%	0.466	40%	0.404	S	S	.	.			trans	-75.6	97.4	164.5	-66.9	170.3	0	0	0	106	I463 M467	I463-L465 HydrophobicContact CG2-CD2 4.27Å; I463-L465 HydrophobicContact CG2-CG 4.19Å; I463-L465 PolarHBondContact O-N 3.3Å; L465-M467 HydrophobicContact CB-CG 4.03Å; L465-M467 HydrophobicContact CB-SD 4.08Å; L465-M467 WeakPolarHBondContact O-CG 3.02Å; L465-M467 PolarHBondContact O-N 3.32Å
466	D	29	Very low	31.1	Very low	100 Å²	100	71 Å²	71	54%	0.535	39%	0.385	S	S	.	.			trans	-69.8	101.8	166.9	-171.7	7.1	0	0	0	107.8	I464 S468	I464-D466 PolarHBondContact O-N 2.67Å; I464-D466 VanDerWaalsContact O-N 3.14Å; D466-S468 VanDerWaalsContact C-N 3.33Å; D466-S468 WeakPolarHBondContact OD1-CB 3.11Å; D466-S468 PolarHBondContact OD1-N 3.35Å; D466-S468 PolarHBondContact OD1-OG 3.41Å; D466-S468 PolarHBondContact OD2-OG 2.86Å; D466-S468 VanDerWaalsContact OD2-OG 3.1Å
467	M	31.9	Very low	31.5	Very low	48 Å²	48	67.9 Å²	67.9	24%	0.236	37%	0.365	C	S	.	.			trans	-96.4	6	-180	-57.4	-74.6	-80.5	0	0	110.6	L465 G469 L470 L475 A478 I479	L465-M467 HydrophobicContact CB-CG 4.03Å; L465-M467 HydrophobicContact CB-SD 4.08Å; L465-M467 WeakPolarHBondContact O-CG 3.02Å; L465-M467 PolarHBondContact O-N 3.32Å; M467-G469 PolarHBondContact O-N 3.2Å; M467-L470 HydrophobicContact CB-CD1 4.24Å; M467-L470 HydrophobicContact CE-CD1 3.22Å; M467-L470 PolarHBondContact O-N 3.1Å; M467-L470 HydrophobicContact SD-CD1 3.51Å; M467-L470 VanDerWaalsContact SD-CD1 3.51Å; M467-L475 HydrophobicContact CB-CD2 3.25Å; M467-L475 HydrophobicContact CB-CG 4.34Å; M467-L475 HydrophobicContact CG-CD2 4.4Å; M467-L475 WeakPolarHBondContact O-CD1 3.49Å; M467-L475 VanDerWaalsContact O-CD2 3.25Å; M467-L475 WeakPolarHBondContact O-CD2 3.48Å; M467-L475 WeakPolarHBondContact O-CG 3.31Å; M467-A478 HydrophobicContact CE-CB 4.36Å; M467-I479 HydrophobicContact CB-CD1 4.3Å
468	S	32.4	Very low	31.7	Very low	76 Å²	76	67.3 Å²	67.3	53%	0.531	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-24.3	-173.5	61.1	0	0	0	0	114.5	D466	D466-S468 VanDerWaalsContact C-N 3.33Å; D466-S468 WeakPolarHBondContact OD1-CB 3.11Å; D466-S468 PolarHBondContact OD1-N 3.35Å; D466-S468 PolarHBondContact OD1-OG 3.41Å; D466-S468 PolarHBondContact OD2-OG 2.86Å; D466-S468 VanDerWaalsContact OD2-OG 3.1Å
469	G	30.4	Very low	31.9	Very low	20 Å²	20	67.2 Å²	67.2	21%	0.206	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-4.3	177.4	0	0	0	0	0	116.5	N249 M467	N249-G469 WeakPolarHBondContact OD1-CA 3.34Å; M467-G469 PolarHBondContact O-N 3.2Å
470	L	33.5	Very low	32	Very low	64 Å²	64	66.7 Å²	66.7	34%	0.335	35%	0.348	S	S	.	.	S	Bend	trans	-85.5	143.5	179.2	-74.8	164.9	0	0	0	110.5	M467 H472 I474 L475	M467-L470 HydrophobicContact CB-CD1 4.24Å; M467-L470 HydrophobicContact CE-CD1 3.22Å; M467-L470 PolarHBondContact O-N 3.1Å; M467-L470 HydrophobicContact SD-CD1 3.51Å; M467-L470 VanDerWaalsContact SD-CD1 3.51Å; L470-H472 PolarHBondContact O-N 3.35Å; L470-I474 HydrophobicContact CD2-CG2 4.41Å; L470-L475 HydrophobicContact CB-CG 4Å; L470-L475 WeakPolarHBondContact O-CD1 3.48Å
471	P	35.7	Very low	32.2	Very low	20 Å²	20	68.7 Å²	68.7	13%	0.13	34%	0.344	C	S	.	.			trans	-52	137.7	176.7	-25.3	31	0	0	0	112	Y251 H473 I474 L475	Y251-P471 HydrophobicContact CD1-CG 3.82Å; Y251-P471 HydrophobicContact CE1-CG 3.93Å; P471-H473 WeakPolarHBondContact CB-CE1 3.47Å; P471-H473 PolarHBondContact O-N 2.75Å; P471-I474 HydrophobicContact CB-CD1 4.39Å; P471-I474 HydrophobicContact CB-CG1 4.17Å; P471-I474 HydrophobicContact CG-CD1 3.93Å; P471-I474 HydrophobicContact CG-CG1 4.25Å; P471-I474 WeakPolarHBondContact O-CA 3.33Å; P471-I474 WeakPolarHBondContact O-CB 3.27Å; P471-I474 PolarHBondContact O-N 2.85Å; P471-L475 PolarHBondContact O-N 3.13Å
472	H	37.5	Very low	32.3	Very low	99 Å²	99	67.8 Å²	67.8	46%	0.458	34%	0.34	S	S	.	.	H	α-helix	trans	-51.5	-29.7	-174.5	-164.8	63.3	0	0	0	114.1	L470 L475 T476	L470-H472 PolarHBondContact O-N 3.35Å; H472-L475 WeakPolarHBondContact O-CB 3.41Å; H472-T476 WeakPolarHBondContact O-CB 3.19Å; H472-T476 PolarHBondContact O-N 3.47Å; H472-T476 PolarHBondContact O-OG1 2.65Å
473	H	40.8	Very low	32.4	Very low	26 Å²	26	60.8 Å²	60.8	12%	0.12	32%	0.319	C	S	.	.	H	α-helix	trans	-78	-26.3	175.5	66.5	-93.1	0	0	0	114.7	S373 E376 P471 T476 R477	S373-H473 WeakPolarHBondContact CB-CD2 3.21Å; S373-H473 WeakPolarHBondContact CB-NE2 3.04Å; E376-H473 HydrophobicContact CG-CB 4.32Å; P471-H473 WeakPolarHBondContact CB-CE1 3.47Å; P471-H473 PolarHBondContact O-N 2.75Å; H473-T476 WeakPolarHBondContact CA-OG1 3.35Å; H473-R477 VanDerWaalsContact O-CB 3.32Å; H473-R477 WeakPolarHBondContact O-CB 3.21Å; H473-R477 WeakPolarHBondContact O-CD 3.19Å; H473-R477 VanDerWaalsContact O-CG 3.24Å; H473-R477 WeakPolarHBondContact O-CG 3.44Å; H473-R477 PolarHBondContact O-N 2.69Å
474	I	34.6	Very low	32.6	Very low	72 Å²	72	58.6 Å²	58.6	37%	0.369	31%	0.308	S	S	.	.	H	α-helix	trans	-78.3	-44.2	170.5	-58.4	-171.6	0	0	0	108.6	L470 P471 R477 A478	L470-I474 HydrophobicContact CD2-CG2 4.41Å; P471-I474 HydrophobicContact CB-CD1 4.39Å; P471-I474 HydrophobicContact CB-CG1 4.17Å; P471-I474 HydrophobicContact CG-CD1 3.93Å; P471-I474 HydrophobicContact CG-CG1 4.25Å; P471-I474 WeakPolarHBondContact O-CA 3.33Å; P471-I474 WeakPolarHBondContact O-CB 3.27Å; P471-I474 PolarHBondContact O-N 2.85Å; I474-R477 PolarHBondContact O-N 3.47Å; I474-A478 WeakPolarHBondContact O-CB 3.48Å; I474-A478 PolarHBondContact O-N 3.43Å
475	L	34.7	Very low	32.7	Very low	29 Å²	29	55.8 Å²	55.8	15%	0.152	29%	0.294	C	S	.	.	H	α-helix	trans	-53.1	-57.2	170.7	-91.2	165.8	0	0	0	111.9	M467 L470 P471 H472 R477 I479	M467-L475 HydrophobicContact CB-CD2 3.25Å; M467-L475 HydrophobicContact CB-CG 4.34Å; M467-L475 HydrophobicContact CG-CD2 4.4Å; M467-L475 WeakPolarHBondContact O-CD1 3.49Å; M467-L475 VanDerWaalsContact O-CD2 3.25Å; M467-L475 WeakPolarHBondContact O-CD2 3.48Å; M467-L475 WeakPolarHBondContact O-CG 3.31Å; L470-L475 HydrophobicContact CB-CG 4Å; L470-L475 WeakPolarHBondContact O-CD1 3.48Å; P471-L475 PolarHBondContact O-N 3.13Å; H472-L475 WeakPolarHBondContact O-CB 3.41Å; L475-R477 VanDerWaalsContact C-N 3.32Å; L475-R477 PolarHBondContact O-N 2.78Å; L475-I479 HydrophobicContact CB-CD1 4.19Å; L475-I479 HydrophobicContact CD2-CD1 3.12Å; L475-I479 HydrophobicContact CD2-CG1 4.2Å; L475-I479 HydrophobicContact CG-CD1 4.26Å; L475-I479 WeakPolarHBondContact O-CA 3.44Å; L475-I479 WeakPolarHBondContact O-CB 3.2Å; L475-I479 WeakPolarHBondContact O-CD1 3.43Å; L475-I479 WeakPolarHBondContact O-CG1 3.38Å; L475-I479 PolarHBondContact O-N 2.83Å
476	T	33.9	Very low	33	Very low	18 Å²	18	52.2 Å²	52.2	11%	0.11	28%	0.276	C	S	.	.	H	α-helix	trans	-62.6	-37.1	-179.7	30.5	0	0	0	0	112.2	H472 H473 Q480	H472-T476 WeakPolarHBondContact O-CB 3.19Å; H472-T476 PolarHBondContact O-N 3.47Å; H472-T476 PolarHBondContact O-OG1 2.65Å; H473-T476 WeakPolarHBondContact CA-OG1 3.35Å; T476-Q480 WeakPolarHBondContact O-CB 3.42Å; T476-Q480 VanDerWaalsContact O-CD 3.28Å; T476-Q480 WeakPolarHBondContact O-CG 3.43Å; T476-Q480 PolarHBondContact O-N 2.86Å; T476-Q480 VanDerWaalsContact O-N 3.16Å; T476-Q480 PolarHBondContact O-OE1 3.29Å
477	R	32.9	Very low	33.1	Very low	84 Å²	84	49.2 Å²	49.2	32%	0.317	27%	0.265	S	S	.	.	H	α-helix	trans	-77.7	-39.7	180	-75.9	178.1	172.4	-157.2	-11.1	114.9	H473 I474 L475	H473-R477 VanDerWaalsContact O-CB 3.32Å; H473-R477 WeakPolarHBondContact O-CB 3.21Å; H473-R477 WeakPolarHBondContact O-CD 3.19Å; H473-R477 VanDerWaalsContact O-CG 3.24Å; H473-R477 WeakPolarHBondContact O-CG 3.44Å; H473-R477 PolarHBondContact O-N 2.69Å; I474-R477 PolarHBondContact O-N 3.47Å; L475-R477 VanDerWaalsContact C-N 3.32Å; L475-R477 PolarHBondContact O-N 2.78Å
478	A	32.2	Very low	33.2	Very low	29 Å²	29	48.6 Å²	48.6	24%	0.24	27%	0.265	C	S	.	.	H	α-helix	trans	-74.5	-45.4	178.5	0	0	0	0	0	109.9	M467 I474 R481 C482	M467-A478 HydrophobicContact CE-CB 4.36Å; I474-A478 WeakPolarHBondContact O-CB 3.48Å; I474-A478 PolarHBondContact O-N 3.43Å; A478-R481 PolarHBondContact O-N 3.05Å; A478-C482 WeakPolarHBondContact O-CB 3.19Å; A478-C482 PolarHBondContact O-N 3.05Å; A478-C482 VanDerWaalsContact O-N 3.15Å; A478-C482 PolarHBondContact O-SG 3.29Å
479	I	32.4	Very low	33.2	Very low	37 Å²	37	51.3 Å²	51.3	19%	0.19	27%	0.273	C	S	.	.	H	α-helix	trans	-74.4	-36.1	-175.5	-57.4	169.6	0	0	0	112.2	M467 L475 R481 S534	M467-I479 HydrophobicContact CB-CD1 4.3Å; L475-I479 HydrophobicContact CB-CD1 4.19Å; L475-I479 HydrophobicContact CD2-CD1 3.12Å; L475-I479 HydrophobicContact CD2-CG1 4.2Å; L475-I479 HydrophobicContact CG-CD1 4.26Å; L475-I479 WeakPolarHBondContact O-CA 3.44Å; L475-I479 WeakPolarHBondContact O-CB 3.2Å; L475-I479 WeakPolarHBondContact O-CD1 3.43Å; L475-I479 WeakPolarHBondContact O-CG1 3.38Å; L475-I479 PolarHBondContact O-N 2.83Å; I479-R481 PolarHBondContact O-N 3.12Å; I479-S534 VanDerWaalsContact CB-CB 3.5Å; I479-S534 VanDerWaalsContact CG2-O 3.28Å; I479-S534 WeakPolarHBondContact CG2-O 3.47Å
480	Q	31.1	Very low	33.4	Very low	77 Å²	77	55.6 Å²	55.6	36%	0.36	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-13.5	180	-75.5	175.2	-15.1	0	0	113.4	T476 S534	T476-Q480 WeakPolarHBondContact O-CB 3.42Å; T476-Q480 VanDerWaalsContact O-CD 3.28Å; T476-Q480 WeakPolarHBondContact O-CG 3.43Å; T476-Q480 PolarHBondContact O-N 2.86Å; T476-Q480 VanDerWaalsContact O-N 3.16Å; T476-Q480 PolarHBondContact O-OE1 3.29Å; Q480-S534 WeakPolarHBondContact CG-OG 3.21Å
481	R	32	Very low	33.4	Very low	115 Å²	115	55.1 Å²	55.1	43%	0.434	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-141	15.1	-166.5	-60	-169.6	-174.4	-171.4	-0	114.5	P421 I422 A478 I479	P421-R481 VanDerWaalsContact CA-O 3.27Å; P421-R481 WeakPolarHBondContact CA-O 3.47Å; P421-R481 WeakPolarHBondContact CB-O 3.14Å; I422-R481 HydrophobicContact CB-CB 4.33Å; I422-R481 VanDerWaalsContact CD1-CD 3.46Å; I422-R481 VanDerWaalsContact CD1-NH1 3.31Å; I422-R481 HydrophobicContact CG1-CB 4.5Å; I422-R481 VanDerWaalsContact CG1-CD 3.41Å; I422-R481 VanDerWaalsContact CG1-NH1 3.3Å; A478-R481 PolarHBondContact O-N 3.05Å; I479-R481 PolarHBondContact O-N 3.12Å
482	C	30.9	Very low	33.5	Very low	40 Å²	40	55.5 Å²	55.5	27%	0.27	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	124	173	-79.7	0	0	0	0	110.4	A478	A478-C482 WeakPolarHBondContact O-CB 3.19Å; A478-C482 PolarHBondContact O-N 3.05Å; A478-C482 VanDerWaalsContact O-N 3.15Å; A478-C482 PolarHBondContact O-SG 3.29Å
483	T	29.8	Very low	33.4	Very low	52 Å²	52	56.2 Å²	56.2	32%	0.319	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	118	168.9	-27.1	0	0	0	0	108.5
484	L	32	Very low	33.2	Very low	10 Å²	10	56 Å²	56	5%	0.052	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	118.3	177.7	-164.2	95.4	0	0	0	109.5	L425 L427 V486 V538 F539	L425-L484 HydrophobicContact CD2-CD1 3.42Å; L425-L484 VanDerWaalsContact CD2-CD1 3.42Å; L427-L484 HydrophobicContact CD1-CD1 4.18Å; L484-V486 HydrophobicContact CD2-CG2 3.84Å; L484-V486 HydrophobicContact CG-CG2 4.34Å; L484-V538 HydrophobicContact CD2-CB 4.43Å; L484-V538 HydrophobicContact CD2-CG1 3.96Å; L484-V538 HydrophobicContact CD2-CG2 3.89Å; L484-F539 PolarHBondContact O-N 2.87Å
485	I	30.5	Very low	33.4	Very low	67 Å²	67	55.9 Å²	55.9	34%	0.344	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	119.7	173.2	-56.4	174	0	0	0	108.6	L427	L427-I485 PolarHBondContact N-O 3.48Å
486	V	34	Very low	33.7	Very low	14 Å²	14	55.3 Å²	55.3	9%	0.085	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	119.3	175.4	-176.4	0	0	0	0	108.7	L484 F539 V540 R541	L484-V486 HydrophobicContact CD2-CG2 3.84Å; L484-V486 HydrophobicContact CG-CG2 4.34Å; V486-F539 PolarHBondContact N-O 3.24Å; V486-V540 HydrophobicContact CB-CG1 4.44Å; V486-V540 HydrophobicContact CB-CG2 4.41Å; V486-V540 WeakPolarHBondContact O-CA 3.08Å; V486-R541 PolarHBondContact O-N 3.13Å
487	A	30.9	Very low	34	Very low	36 Å²	36	56.6 Å²	56.6	30%	0.298	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	128.6	176.9	0	0	0	0	0	110.6
488	S	34.3	Very low	34	Very low	35 Å²	35	60.9 Å²	60.9	25%	0.245	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	135.5	168.5	176.7	0	0	0	0	109.8	K490 R541 P543	S488-K490 PolarHBondContact OG-N 3.44Å; S488-K490 PolarHBondContact OG-O 3.27Å; S488-K490 VanDerWaalsContact OG-O 3.09Å; S488-R541 PolarHBondContact N-O 2.7Å; S488-P543 WeakPolarHBondContact O-CD 3.45Å; S488-P543 WeakPolarHBondContact O-CG 3.49Å
489	L	33.1	Very low	34.4	Very low	133 Å²	133	62.4 Å²	62.4	70%	0.696	32%	0.316	S	S	*	.	S	Bend	trans	-89	-4.1	175.7	-70.2	169.3	0	0	0	113.2
490	K	34.5	Very low	34.8	Very low	111 Å²	111	63.6 Å²	63.6	48%	0.483	32%	0.323	S	S	.	.	S	Bend	trans	-122.4	146.6	-175.2	-66.5	-176	-177.7	176	0	112.6	T431 S488	T431-K490 HydrophobicContact CG2-CD 4.48Å; S488-K490 PolarHBondContact OG-N 3.44Å; S488-K490 PolarHBondContact OG-O 3.27Å; S488-K490 VanDerWaalsContact OG-O 3.09Å
491	P	34.3	Very low	35.2	Very low	53 Å²	53	60.3 Å²	60.3	34%	0.344	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-57.8	138.7	171.4	24.8	-34.8	0	0	0	111.2	Y493 S544	P491-Y493 HydrophobicContact CB-CE2 4.16Å; P491-Y493 HydrophobicContact CG-CE2 3.92Å; P491-S544 WeakPolarHBondContact CA-O 3.06Å; P491-S544 WeakPolarHBondContact CB-OG 3.4Å
492	V	36.7	Very low	35.5	Very low	29 Å²	29	58.8 Å²	58.8	18%	0.176	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	117.6	175.2	-177	0	0	0	0	108.3	A458 L494 L542 S544 V545 Q546	A458-V492 WeakPolarHBondContact O-CG1 3.4Å; V492-L494 HydrophobicContact CG1-CD1 4.44Å; V492-L494 HydrophobicContact CG1-CG 4.35Å; V492-L542 HydrophobicContact CG2-CD2 4.15Å; V492-S544 PolarHBondContact N-O 3.31Å; V492-V545 WeakPolarHBondContact O-CA 3.18Å; V492-Q546 PolarHBondContact O-N 3.36Å
493	Y	36.2	Very low	35.8	Very low	113 Å²	113	64.8 Å²	64.8	44%	0.443	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	144.7	171.2	-61.6	-94.8	0	0	0	108.6	N457 P491 Q546	N457-Y493 WeakPolarHBondContact CA-O 3.27Å; N457-Y493 WeakPolarHBondContact CB-O 3.34Å; N457-Y493 VanDerWaalsContact CG-C 3.48Å; N457-Y493 PolarHBondContact OD1-O 3.46Å; P491-Y493 HydrophobicContact CB-CE2 4.16Å; P491-Y493 HydrophobicContact CG-CE2 3.92Å; Y493-Q546 HydrophobicContact CD1-CB 4.1Å; Y493-Q546 HydrophobicContact CE1-CG 4.48Å
494	L	36.7	Very low	36.2	Very low	22 Å²	22	65.7 Å²	65.7	12%	0.115	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	108.5	-179.3	-84.4	162.9	0	0	0	111.3	N457 S459 V492 V545 Q546 L547 N548	N457-L494 HydrophobicContact CB-CB 4.45Å; N457-L494 HydrophobicContact CB-CD2 3.62Å; N457-L494 HydrophobicContact CB-CG 4.15Å; N457-L494 VanDerWaalsContact CG-CA 3.4Å; N457-L494 PolarHBondContact OD1-N 3.25Å; S459-L494 VanDerWaalsContact CA-CD2 3.45Å; V492-L494 HydrophobicContact CG1-CD1 4.44Å; V492-L494 HydrophobicContact CG1-CG 4.35Å; L494-V545 HydrophobicContact CD1-CG1 4.03Å; L494-Q546 PolarHBondContact N-O 2.7Å; L494-L547 HydrophobicContact CB-CD2 3.73Å; L494-L547 HydrophobicContact CD1-CD2 3.9Å; L494-L547 HydrophobicContact CG-CD2 4.48Å; L494-L547 WeakPolarHBondContact O-CA 3.08Å; L494-N548 PolarHBondContact O-N 3.5Å
495	N	37.4	Very low	36.6	Very low	69 Å²	69	67.4 Å²	67.4	37%	0.369	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	125.2	168.4	-72.8	-24.1	0	0	0	108.1	N457 N548	N457-N495 WeakPolarHBondContact ND2-CB 3.48Å; N457-N495 PolarHBondContact ND2-N 3.43Å; N495-N548 WeakPolarHBondContact CA-O 3.44Å; N495-N548 WeakPolarHBondContact OD1-CB 3.13Å; N495-N548 PolarHBondContact OD1-ND2 2.87Å
496	I	42.2	Very low	37	Very low	18 Å²	18	69.6 Å²	69.6	9%	0.092	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	119.2	-179.3	-52.2	175.2	0	0	0	108.7	D500 C501 L547 N548 F549 F559	I496-D500 HydrophobicContact CG2-CB 4.37Å; I496-C501 HydrophobicContact CG2-CB 4.37Å; I496-C501 WeakPolarHBondContact CG2-SG 3.43Å; I496-L547 HydrophobicContact CD1-CD2 4.01Å; I496-N548 PolarHBondContact N-O 3.48Å; I496-F549 HydrophobicContact CD1-CE1 3.9Å; I496-F549 HydrophobicContact CD1-CZ 4.37Å; I496-F559 HydrophobicContact CD1-CE1 3.66Å; I496-F559 HydrophobicContact CD1-CZ 3.62Å
497	N	39.9	Very low	37.1	Very low	44 Å²	44	74.8 Å²	74.8	24%	0.235	37%	0.367	C	S	.	.			trans	-77.2	154.7	175.8	-88.8	-12.2	0	0	0	111.5	E454 S499 D500 C501	E454-N497 PolarHBondContact OE1-ND2 2.78Å; N497-S499 VanDerWaalsContact C-N 3.31Å; N497-S499 PolarHBondContact O-N 3.22Å; N497-D500 PolarHBondContact O-N 3.07Å; N497-C501 PolarHBondContact O-N 3.44Å
498	R	33.6	Very low	37.3	Very low	175 Å²	175	75 Å²	75	66%	0.66	36%	0.363	S	S	*	.	H	α-helix	trans	-56.7	-39	-178	-171.1	179.1	-179.2	-177.3	-1.4	113.6	D500 M502	R498-D500 VanDerWaalsContact C-N 3.31Å; R498-M502 PolarHBondContact O-N 3.04Å; R498-M502 VanDerWaalsContact O-N 3.09Å
499	S	40.3	Very low	37.4	Very low	60 Å²	60	76.4 Å²	76.4	42%	0.42	37%	0.368	S	S	.	.	H	α-helix	trans	-67.5	-31.6	176.2	52.1	0	0	0	0	112.7	N497 R503	N497-S499 VanDerWaalsContact C-N 3.31Å; N497-S499 PolarHBondContact O-N 3.22Å; S499-R503 WeakPolarHBondContact O-CB 3.42Å; S499-R503 WeakPolarHBondContact O-CG 3.03Å; S499-R503 PolarHBondContact O-N 3Å
500	D	41.2	Very low	37.4	Very low	63 Å²	63	72.9 Å²	72.9	34%	0.337	35%	0.354	S	S	.	.	H	α-helix	trans	-83	-37	-178.1	-57.9	-28.3	0	0	0	110.6	I496 N497 R498 R503 I504	I496-D500 HydrophobicContact CG2-CB 4.37Å; N497-D500 PolarHBondContact O-N 3.07Å; R498-D500 VanDerWaalsContact C-N 3.31Å; D500-R503 PolarHBondContact O-N 3.16Å; D500-I504 WeakPolarHBondContact O-CB 3.33Å; D500-I504 VanDerWaalsContact O-CD1 3.31Å; D500-I504 WeakPolarHBondContact O-CD1 3.28Å; D500-I504 WeakPolarHBondContact O-CG1 3.34Å; D500-I504 PolarHBondContact O-N 3.1Å
501	C	39.2	Very low	37.2	Very low	7 Å²	7	75 Å²	75	5%	0.047	36%	0.359	C	S	.	.	H	α-helix	trans	-55.9	-49.9	166.3	-90	0	0	0	0	111	I496 N497 I504 V505	I496-C501 HydrophobicContact CG2-CB 4.37Å; I496-C501 WeakPolarHBondContact CG2-SG 3.43Å; N497-C501 PolarHBondContact O-N 3.44Å; C501-I504 PolarHBondContact O-N 2.99Å; C501-V505 WeakPolarHBondContact O-CB 3.45Å; C501-V505 WeakPolarHBondContact O-CG2 3.3Å; C501-V505 PolarHBondContact O-N 2.96Å
502	M	37.7	Very low	37.1	Very low	84 Å²	84	78.5 Å²	78.5	41%	0.414	37%	0.371	S	S	.	.	H	α-helix	trans	-67.9	-38.9	-179.8	-77.7	-66.5	-67.8	0	0	112.7	R498 V505 E506	R498-M502 PolarHBondContact O-N 3.04Å; R498-M502 VanDerWaalsContact O-N 3.09Å; M502-V505 CarbonylContact O-C 3.46Å; M502-V505 PolarHBondContact O-N 3.25Å; M502-E506 WeakPolarHBondContact O-CB 3.37Å; M502-E506 WeakPolarHBondContact O-CG 3.15Å; M502-E506 PolarHBondContact O-N 3.43Å
503	R	36.4	Very low	36.8	Very low	166 Å²	166	83.7 Å²	83.7	63%	0.626	40%	0.398	S	S	*	.	H	α-helix	trans	-69.7	-35.2	174.9	-75.9	174.2	-171.4	169.2	2	113	S499 D500 F507	S499-R503 WeakPolarHBondContact O-CB 3.42Å; S499-R503 WeakPolarHBondContact O-CG 3.03Å; S499-R503 PolarHBondContact O-N 3Å; D500-R503 PolarHBondContact O-N 3.16Å; R503-F507 WeakPolarHBondContact O-CA 3.36Å; R503-F507 WeakPolarHBondContact O-CB 3.33Å; R503-F507 PolarHBondContact O-N 3.44Å
504	I	39.8	Very low	36.5	Very low	71 Å²	71	85.8 Å²	85.8	36%	0.364	42%	0.416	S	S	.	.	H	α-helix	trans	-72	-39.3	174.9	-68	164.6	0	0	0	109.5	D500 C501 F507 L508 F559	D500-I504 WeakPolarHBondContact O-CB 3.33Å; D500-I504 VanDerWaalsContact O-CD1 3.31Å; D500-I504 WeakPolarHBondContact O-CD1 3.28Å; D500-I504 WeakPolarHBondContact O-CG1 3.34Å; D500-I504 PolarHBondContact O-N 3.1Å; C501-I504 PolarHBondContact O-N 2.99Å; I504-F507 PolarHBondContact O-N 3.01Å; I504-L508 HydrophobicContact CG2-CD1 3.7Å; I504-L508 HydrophobicContact CG2-CG 4.23Å; I504-L508 WeakPolarHBondContact O-CB 3.39Å; I504-L508 WeakPolarHBondContact O-CD1 3.26Å; I504-L508 WeakPolarHBondContact O-CG 3.38Å; I504-L508 PolarHBondContact O-N 3.34Å; I504-F559 HydrophobicContact CG2-CE2 4.08Å
505	V	38.9	Very low	36.1	Very low	45 Å²	45	87.5 Å²	87.5	27%	0.273	43%	0.43	S	S	.	.	H	α-helix	trans	-69.6	-39.3	174.6	169.5	0	0	0	0	111.2	C501 M502 L508 N509	C501-V505 WeakPolarHBondContact O-CB 3.45Å; C501-V505 WeakPolarHBondContact O-CG2 3.3Å; C501-V505 PolarHBondContact O-N 2.96Å; M502-V505 CarbonylContact O-C 3.46Å; M502-V505 PolarHBondContact O-N 3.25Å; V505-L508 PolarHBondContact O-N 3.44Å; V505-N509 WeakPolarHBondContact CG1-ND2 3.33Å; V505-N509 WeakPolarHBondContact O-CA 3.23Å; V505-N509 WeakPolarHBondContact O-CB 3.33Å; V505-N509 PolarHBondContact O-N 3.48Å; V505-N509 PolarHBondContact O-ND2 3Å; V505-N509 PolarHBondContact O-OD1 3.33Å
506	E	38.8	Very low	35.6	Very low	114 Å²	114	88.7 Å²	88.7	53%	0.533	46%	0.459	S	S	.	.	H	α-helix	trans	-69	-36.4	172.3	-78.4	171.5	178.7	0	0	111.5	M502 S510	M502-E506 WeakPolarHBondContact O-CB 3.37Å; M502-E506 WeakPolarHBondContact O-CG 3.15Å; M502-E506 PolarHBondContact O-N 3.43Å; E506-S510 WeakPolarHBondContact O-CA 3.42Å; E506-S510 WeakPolarHBondContact O-CB 3.22Å; E506-S510 PolarHBondContact O-N 3.47Å; E506-S510 PolarHBondContact O-OG 3.24Å
507	F	37.9	Very low	34.9	Very low	123 Å²	123	89.9 Å²	89.9	54%	0.539	48%	0.476	S	S	.	.	H	α-helix	trans	-65.1	-48.4	172.1	176.3	-99.5	0	0	0	110.5	R503 I504 S510 W511	R503-F507 WeakPolarHBondContact O-CA 3.36Å; R503-F507 WeakPolarHBondContact O-CB 3.33Å; R503-F507 PolarHBondContact O-N 3.44Å; I504-F507 PolarHBondContact O-N 3.01Å; F507-S510 PolarHBondContact O-N 3.08Å; F507-S510 PolarHBondContact O-OG 3.11Å; F507-W511 WeakPolarHBondContact O-CB 3.22Å; F507-W511 PolarHBondContact O-N 2.94Å
508	L	34.9	Very low	34.2	Very low	41 Å²	41	93.7 Å²	93.7	22%	0.215	50%	0.503	C	S	.	.	H	α-helix	trans	-65.9	-37.6	176.3	-70.7	167.2	0	0	0	112	I504 V505 W511 Q512	I504-L508 HydrophobicContact CG2-CD1 3.7Å; I504-L508 HydrophobicContact CG2-CG 4.23Å; I504-L508 WeakPolarHBondContact O-CB 3.39Å; I504-L508 WeakPolarHBondContact O-CD1 3.26Å; I504-L508 WeakPolarHBondContact O-CG 3.38Å; I504-L508 PolarHBondContact O-N 3.34Å; V505-L508 PolarHBondContact O-N 3.44Å; L508-W511 HydrophobicContact CD2-CE3 3.94Å; L508-W511 HydrophobicContact CD2-CZ3 4.28Å; L508-W511 CarbonylContact O-C 3.5Å; L508-W511 WeakPolarHBondContact O-CA 3.46Å; L508-W511 WeakPolarHBondContact O-CB 3.49Å; L508-W511 PolarHBondContact O-N 2.87Å; L508-Q512 WeakPolarHBondContact O-CB 3.47Å; L508-Q512 PolarHBondContact O-N 3.48Å
509	N	35.5	Very low	33.7	Very low	64 Å²	64	93.2 Å²	93.2	34%	0.342	51%	0.513	S	S	.	.	H	α-helix	trans	-75.4	-30.7	175.8	-72.1	-13	0	0	0	111.8	V505 W511 Q512 N513	V505-N509 WeakPolarHBondContact CG1-ND2 3.33Å; V505-N509 WeakPolarHBondContact O-CA 3.23Å; V505-N509 WeakPolarHBondContact O-CB 3.33Å; V505-N509 PolarHBondContact O-N 3.48Å; V505-N509 PolarHBondContact O-ND2 3Å; V505-N509 PolarHBondContact O-OD1 3.33Å; N509-W511 VanDerWaalsContact C-N 3.31Å; N509-Q512 CarbonylContact O-C 3.53Å; N509-Q512 WeakPolarHBondContact O-CA 3.14Å; N509-Q512 WeakPolarHBondContact O-CB 3.43Å; N509-Q512 PolarHBondContact O-N 2.94Å; N509-Q512 VanDerWaalsContact O-N 3.16Å; N509-Q512 PolarHBondContact OD1-OE1 3.01Å; N509-N513 VanDerWaalsContact O-CB 3.29Å; N509-N513 WeakPolarHBondContact O-CB 3.43Å; N509-N513 PolarHBondContact O-N 3.41Å; N509-N513 PolarHBondContact O-ND2 2.82Å
510	S	33.2	Very low	32.9	Very low	58 Å²	58	94.9 Å²	94.9	41%	0.406	52%	0.524	S	S	.	.	H	α-helix	trans	-68.6	-37.1	168.7	78.1	0	0	0	0	110.2	E506 F507 Q512 N513 D514	E506-S510 WeakPolarHBondContact O-CA 3.42Å; E506-S510 WeakPolarHBondContact O-CB 3.22Å; E506-S510 PolarHBondContact O-N 3.47Å; E506-S510 PolarHBondContact O-OG 3.24Å; F507-S510 PolarHBondContact O-N 3.08Å; F507-S510 PolarHBondContact O-OG 3.11Å; S510-Q512 PolarHBondContact O-N 3.5Å; S510-N513 PolarHBondContact O-N 2.88Å; S510-D514 PolarHBondContact O-N 2.87Å; S510-D514 VanDerWaalsContact O-N 3.13Å
511	W	30.8	Very low	32	Very low	156 Å²	156	95.7 Å²	95.7	59%	0.591	54%	0.54	S	S	*	.	H	α-helix	trans	-62	-31.3	168.4	-125.4	18.9	0	0	0	112.2	F507 L508 N509 S515	F507-W511 WeakPolarHBondContact O-CB 3.22Å; F507-W511 PolarHBondContact O-N 2.94Å; L508-W511 HydrophobicContact CD2-CE3 3.94Å; L508-W511 HydrophobicContact CD2-CZ3 4.28Å; L508-W511 CarbonylContact O-C 3.5Å; L508-W511 WeakPolarHBondContact O-CA 3.46Å; L508-W511 WeakPolarHBondContact O-CB 3.49Å; L508-W511 PolarHBondContact O-N 2.87Å; N509-W511 VanDerWaalsContact C-N 3.31Å; W511-S515 PolarHBondContact O-OG 2.94Å
512	Q	30.8	Very low	31.2	Very low	126 Å²	126	106.9 Å²	106.9	59%	0.589	58%	0.583	S	S	*	*	H	α-helix	trans	-81.6	-40.2	178.5	-131.5	174.4	9.6	0	0	112.4	L508 N509 S510 S515	L508-Q512 WeakPolarHBondContact O-CB 3.47Å; L508-Q512 PolarHBondContact O-N 3.48Å; N509-Q512 CarbonylContact O-C 3.53Å; N509-Q512 WeakPolarHBondContact O-CA 3.14Å; N509-Q512 WeakPolarHBondContact O-CB 3.43Å; N509-Q512 PolarHBondContact O-N 2.94Å; N509-Q512 VanDerWaalsContact O-N 3.16Å; N509-Q512 PolarHBondContact OD1-OE1 3.01Å; S510-Q512 PolarHBondContact O-N 3.5Å; Q512-S515 PolarHBondContact O-N 2.96Å; Q512-S515 PolarHBondContact O-OG 3.26Å
513	N	31.9	Very low	30.4	Very low	139 Å²	139	107 Å²	107	74%	0.743	60%	0.597	S	S	*	*	H	α-helix	trans	-77.6	-21.9	-176.3	-72.5	-19.9	0	0	0	113.3	N509 S510 S515	N509-N513 VanDerWaalsContact O-CB 3.29Å; N509-N513 WeakPolarHBondContact O-CB 3.43Å; N509-N513 PolarHBondContact O-N 3.41Å; N509-N513 PolarHBondContact O-ND2 2.82Å; S510-N513 PolarHBondContact O-N 2.88Å; N513-S515 VanDerWaalsContact C-N 3.28Å
514	D	29.9	Very low	29.7	Very low	156 Å²	156	104 Å²	104	83%	0.834	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.7	15.1	167.6	-82.4	-20.6	0	0	0	113.1	S510	S510-D514 PolarHBondContact O-N 2.87Å; S510-D514 VanDerWaalsContact O-N 3.13Å
515	S	27.9	Very low	28.9	Very low	58 Å²	58	105.2 Å²	105.2	41%	0.406	62%	0.616	S	S	.	*			trans	-143.4	98.4	-178.2	68.7	0	0	0	0	115.3	W511 Q512 N513 G517	W511-S515 PolarHBondContact O-OG 2.94Å; Q512-S515 PolarHBondContact O-N 2.96Å; Q512-S515 PolarHBondContact O-OG 3.26Å; N513-S515 VanDerWaalsContact C-N 3.28Å; S515-G517 PolarHBondContact O-N 2.72Å
516	G	26.1	Very low	28	Very low	94 Å²	94	111.5 Å²	111.5	97%	0.969	64%	0.64	S	S	*	*	S	Bend	trans	-74	99.6	152.1	0	0	0	0	0	110.1
517	G	27.6	Very low	27.3	Very low	44 Å²	44	116.6 Å²	116.6	45%	0.454	66%	0.656	S	S	.	*	S	Bend	trans	110.5	138.8	173.1	0	0	0	0	0	114.6	S515 L519	S515-G517 PolarHBondContact O-N 2.72Å; G517-L519 PolarHBondContact O-N 3.4Å
518	P	25	Very low	26.6	Very low	123 Å²	123	114.6 Å²	114.6	80%	0.799	66%	0.662	S	S	*	*	S	Bend	trans	-73.2	101.9	-168	30.6	-32.4	0	0	0	110.2	S520	P518-S520 PolarHBondContact O-N 3.31Å
519	L	24	Very low	26	Very low	165 Å²	165	118.3 Å²	118.3	86%	0.864	68%	0.682	S	S	*	*	S	Bend	trans	31.5	56.5	166.5	-94.9	157.7	0	0	0	113.1	G517	G517-L519 PolarHBondContact O-N 3.4Å
520	S	23.6	Very low	25.5	Very low	95 Å²	95	118 Å²	118	66%	0.664	69%	0.694	S	S	*	*			trans	-118.9	109.8	169.1	70.5	0	0	0	0	108.4	P518	P518-S520 PolarHBondContact O-N 3.31Å
521	A	22.8	Very low	25.2	Very low	81 Å²	81	120.9 Å²	120.9	67%	0.669	70%	0.699	S	S	*	*			trans	51.1	113.5	145.1	0	0	0	0	0	118.8
522	Y	21.1	Very low	24.9	Very low	242 Å²	242	115.2 Å²	115.2	95%	0.949	69%	0.689	S	S	*	*	S	Bend		-122.3	138.9	110	-77.9	-90.3	0	0	0	106.5
523	A	21.7	Very low	24.7	Very low	86 Å²	86	116.1 Å²	116.1	71%	0.711	70%	0.696	S	S	*	*	S	Bend	cis	-137.9	115	5.4	0	0	0	0	0	107.5
524	S	22	Very low	24.4	Very low	102 Å²	102	111.1 Å²	111.1	71%	0.713	67%	0.671	S	S	*	*				69.2	104.7	94.4	-173.6	0	0	0	0	111.9
525	S	21.8	Very low	24.2	Very low	97 Å²	97	111.7 Å²	111.7	68%	0.678	67%	0.667	S	S	*	*			trans	-49.1	135.6	162.5	59.8	0	0	0	0	111.9
526	K	20.9	Very low	24.1	Very low	178 Å²	178	113 Å²	113	77%	0.774	67%	0.667	S	S	*	*				178.5	111.1	104.4	-96	-174.3	173.2	172.9	0	110.3
527	Y	24.6	Very low	24.2	Very low	221 Å²	221	110.3 Å²	110.3	87%	0.867	64%	0.639	S	S	*	*			trans	59.8	135.7	144.3	-71.5	-86	0	0	0	122.3
528	A	22.5	Very low	24.2	Very low	81 Å²	81	110.2 Å²	110.2	67%	0.669	63%	0.63	S	S	*	*			trans	91.3	111.7	158	0	0	0	0	0	115.3
529	D	23	Very low	24.4	Very low	119 Å²	119	108.6 Å²	108.6	64%	0.636	61%	0.611	S	S	*	*			trans	86.5	90.1	148.5	-53.1	-29.3	0	0	0	119.5	K384	K384-D529 WeakPolarHBondContact CE-OD1 3.48Å; K384-D529 VanDerWaalsContact NZ-CG 3.35Å; K384-D529 IonicContact NZ-OD1 2.79Å; K384-D529 PolarHBondContact NZ-OD1 3.01Å; K384-D529 IonicContact NZ-OD2 3.73Å
530	G	24.2	Very low	24.8	Very low	57 Å²	57	102.6 Å²	102.6	59%	0.588	58%	0.581	S	S	*	*			trans	88.3	148.2	139.4	0	0	0	0	0	117.6
531	F	27.4	Very low	25.1	Very low	118 Å²	118	104.9 Å²	104.9	52%	0.518	58%	0.575	S	S	.	*			trans	94.8	118.7	174.6	-64	-92.9	0	0	0	115.7	K287	K287-F531 HydrophobicContact CB-CZ 4.29Å; K287-F531 HydrophobicContact CD-CE1 3.75Å; K287-F531 HydrophobicContact CD-CZ 3.88Å; K287-F531 HydrophobicContact CG-CE1 4.2Å; K287-F531 HydrophobicContact CG-CZ 4.22Å
532	G	24.9	Very low	25.7	Very low	37 Å²	37	102.7 Å²	102.7	38%	0.381	55%	0.552	S	S	.	*			trans	-85.6	155.3	-164.9	0	0	0	0	0	115.3
533	M	25	Very low	26.3	Very low	146 Å²	146	93.2 Å²	93.2	72%	0.719	52%	0.52	S	S	*	.			trans	-129.1	123.9	171.9	-75.6	-72.2	-78.9	0	0	108	F535	M533-F535 HydrophobicContact CB-CE2 4.09Å; M533-F535 HydrophobicContact CE-CZ 4.38Å
534	S	25.8	Very low	26.8	Very low	34 Å²	34	90.5 Å²	90.5	24%	0.238	50%	0.496	C	S	.	.			trans	-108.2	110	179.9	-38.1	0	0	0	0	107.2	I479 Q480	I479-S534 VanDerWaalsContact CB-CB 3.5Å; I479-S534 VanDerWaalsContact CG2-O 3.28Å; I479-S534 WeakPolarHBondContact CG2-O 3.47Å; Q480-S534 WeakPolarHBondContact CG-OG 3.21Å
535	F	25.5	Very low	27.5	Very low	168 Å²	168	86.3 Å²	86.3	74%	0.737	47%	0.465	S	S	*	.			trans	-90.4	127.3	180	-72.5	-87.1	0	0	0	110.9	M533	M533-F535 HydrophobicContact CB-CE2 4.09Å; M533-F535 HydrophobicContact CE-CZ 4.38Å
536	M	27.3	Very low	28.2	Very low	85 Å²	85	84.1 Å²	84.1	42%	0.419	44%	0.444	S	S	.	.			trans	-88.8	108.7	165.4	-175.6	175.3	73.1	0	0	108.9	V538	M536-V538 HydrophobicContact CE-CG2 3.93Å; M536-V538 HydrophobicContact CG-CG2 4.31Å
537	G	27.9	Very low	29	Very low	37 Å²	37	76.3 Å²	76.3	38%	0.381	41%	0.411	S	S	.	.			trans	-86.7	117.4	169	0	0	0	0	0	110.4
538	V	28.1	Very low	29.7	Very low	42 Å²	42	67.2 Å²	67.2	26%	0.255	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	114	174.6	175.5	0	0	0	0	108.8	L484 M536 V540	L484-V538 HydrophobicContact CD2-CB 4.43Å; L484-V538 HydrophobicContact CD2-CG1 3.96Å; L484-V538 HydrophobicContact CD2-CG2 3.89Å; M536-V538 HydrophobicContact CE-CG2 3.93Å; M536-V538 HydrophobicContact CG-CG2 4.31Å; V538-V540 HydrophobicContact CG1-CG2 3.69Å
539	F	28.7	Very low	30.6	Very low	90 Å²	90	63.3 Å²	63.3	40%	0.395	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	116.6	171.8	-84.1	-89.9	0	0	0	109.6	L484 V486 F571 Q583	L484-F539 PolarHBondContact O-N 2.87Å; V486-F539 PolarHBondContact N-O 3.24Å; F539-F571 HydrophobicContact CZ-CE1 4.46Å; F539-Q583 HydrophobicContact CE1-CB 4.25Å
540	V	31.9	Very low	31.5	Very low	38 Å²	38	63.1 Å²	63.1	23%	0.23	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	121.3	176.5	-168.3	0	0	0	0	109.4	V486 V538 L542	V486-V540 HydrophobicContact CB-CG1 4.44Å; V486-V540 HydrophobicContact CB-CG2 4.41Å; V486-V540 WeakPolarHBondContact O-CA 3.08Å; V538-V540 HydrophobicContact CG1-CG2 3.69Å; V540-L542 HydrophobicContact CG1-CD2 4.24Å; V540-L542 HydrophobicContact CG1-CG 4.08Å
541	R	30.8	Very low	32.7	Very low	143 Å²	143	60.8 Å²	60.8	54%	0.54	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	117	173.6	-169.3	177.4	-126.6	165.1	3.9	109.8	V486 S488	V486-R541 PolarHBondContact O-N 3.13Å; S488-R541 PolarHBondContact N-O 2.7Å
542	L	34.9	Very low	33.7	Very low	36 Å²	36	60.2 Å²	60.2	19%	0.188	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	122.8	178.8	-64.5	173.9	0	0	0	110.3	V492 V540 S544 V545 L586	V492-L542 HydrophobicContact CG2-CD2 4.15Å; V540-L542 HydrophobicContact CG1-CD2 4.24Å; V540-L542 HydrophobicContact CG1-CG 4.08Å; L542-S544 PolarHBondContact O-N 3.13Å; L542-V545 HydrophobicContact CB-CG2 4.28Å; L542-V545 HydrophobicContact CD1-CG2 4.03Å; L542-L586 HydrophobicContact CB-CD2 4.26Å; L542-L586 HydrophobicContact CD1-CD2 4.39Å
543	P	33.5	Very low	34.4	Very low	43 Å²	43	63.2 Å²	63.2	28%	0.279	32%	0.321	S	S	.	.	S	Bend	trans	-70.5	-28.4	-172	25	-32.2	0	0	0	113.9	S488	S488-P543 WeakPolarHBondContact O-CD 3.45Å; S488-P543 WeakPolarHBondContact O-CG 3.49Å
544	S	32.4	Very low	35.3	Very low	29 Å²	29	60.9 Å²	60.9	20%	0.203	32%	0.315	C	S	.	.			trans	-170.2	143.2	170.2	57.9	0	0	0	0	110.7	P491 V492 L542	P491-S544 WeakPolarHBondContact CA-O 3.06Å; P491-S544 WeakPolarHBondContact CB-OG 3.4Å; V492-S544 PolarHBondContact N-O 3.31Å; L542-S544 PolarHBondContact O-N 3.13Å
545	V	37.6	Very low	36.2	Very low	13 Å²	13	62.5 Å²	62.5	8%	0.079	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	126.2	175.9	178.6	0	0	0	0	109	V492 L494 L542 L547 L586 K588 L589 K590	V492-V545 WeakPolarHBondContact O-CA 3.18Å; L494-V545 HydrophobicContact CD1-CG1 4.03Å; L542-V545 HydrophobicContact CB-CG2 4.28Å; L542-V545 HydrophobicContact CD1-CG2 4.03Å; V545-L547 HydrophobicContact CG1-CD2 4.39Å; V545-L547 HydrophobicContact CG1-CG 4.35Å; V545-L586 HydrophobicContact CB-CD2 4.17Å; V545-L586 HydrophobicContact CG2-CD2 3.43Å; V545-L586 VanDerWaalsContact CG2-CD2 3.43Å; V545-K588 PolarHBondContact N-O 3.04Å; V545-L589 HydrophobicContact CB-CD1 4.47Å; V545-K590 PolarHBondContact O-N 3.39Å
546	Q	35.2	Very low	37.1	Very low	51 Å²	51	54.5 Å²	54.5	24%	0.238	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	119.3	175.5	-64.8	-168.4	-2.8	0	0	109.6	V492 Y493 L494 K590	V492-Q546 PolarHBondContact O-N 3.36Å; Y493-Q546 HydrophobicContact CD1-CB 4.1Å; Y493-Q546 HydrophobicContact CE1-CG 4.48Å; L494-Q546 PolarHBondContact N-O 2.7Å; Q546-K590 WeakPolarHBondContact CA-O 3.11Å
547	L	38.2	Very low	37.9	Very low	14 Å²	14	52.8 Å²	52.8	7%	0.073	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	118.5	178.3	-64.2	167.5	0	0	0	108.9	L494 I496 V545 F549 L589 K590 C591 Y592	L494-L547 HydrophobicContact CB-CD2 3.73Å; L494-L547 HydrophobicContact CD1-CD2 3.9Å; L494-L547 HydrophobicContact CG-CD2 4.48Å; L494-L547 WeakPolarHBondContact O-CA 3.08Å; I496-L547 HydrophobicContact CD1-CD2 4.01Å; V545-L547 HydrophobicContact CG1-CD2 4.39Å; V545-L547 HydrophobicContact CG1-CG 4.35Å; L547-F549 HydrophobicContact CB-CE2 3.78Å; L547-F549 HydrophobicContact CB-CZ 4.01Å; L547-F549 HydrophobicContact CD1-CZ 4.42Å; L547-L589 HydrophobicContact CD1-CD1 4.01Å; L547-K590 PolarHBondContact N-O 3.31Å; L547-C591 WeakPolarHBondContact O-CA 3.14Å; L547-Y592 PolarHBondContact O-N 2.61Å
548	N	38.9	Very low	38.7	Very low	30 Å²	30	53.5 Å²	53.5	16%	0.16	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	113.7	-179.8	-81.3	-6.5	0	0	0	109.2	L494 N495 I496 Y592	L494-N548 PolarHBondContact O-N 3.5Å; N495-N548 WeakPolarHBondContact CA-O 3.44Å; N495-N548 WeakPolarHBondContact OD1-CB 3.13Å; N495-N548 PolarHBondContact OD1-ND2 2.87Å; I496-N548 PolarHBondContact N-O 3.48Å; N548-Y592 WeakPolarHBondContact OD1-CB 3.21Å
549	F	40.7	Very low	39.6	Very low	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	134.1	-178.7	-62.6	-84.3	0	0	0	111	I496 L547 C556 F559 C591 Y592 N594 L600	I496-F549 HydrophobicContact CD1-CE1 3.9Å; I496-F549 HydrophobicContact CD1-CZ 4.37Å; L547-F549 HydrophobicContact CB-CE2 3.78Å; L547-F549 HydrophobicContact CB-CZ 4.01Å; L547-F549 HydrophobicContact CD1-CZ 4.42Å; F549-C556 HydrophobicContact CB-CB 4.39Å; F549-C556 WeakPolarHBondContact CB-SG 3.07Å; F549-C556 HydrophobicContact CD1-CB 4.43Å; F549-C556 HydrophobicContact CD2-CB 4.45Å; F549-C556 HydrophobicContact CG-CB 4.17Å; F549-F559 HydrophobicContact CE1-CB 4.41Å; F549-F559 AromaticContact CE1-CD1 3.33Å; F549-F559 HydrophobicContact CE1-CD1 3.33Å; F549-F559 AromaticContact CE1-CE1 3.72Å; F549-F559 HydrophobicContact CE1-CE1 3.72Å; F549-F559 HydrophobicContact CE1-CG 4.03Å; F549-F559 AromaticContact CZ-CD1 3.41Å; F549-F559 HydrophobicContact CZ-CD1 3.41Å; F549-F559 VanDerWaalsContact CZ-CD1 3.41Å; F549-F559 AromaticContact CZ-CE1 3.72Å; F549-F559 HydrophobicContact CZ-CE1 3.72Å; F549-F559 HydrophobicContact CZ-CG 4.46Å; F549-C591 HydrophobicContact CE2-CB 3.98Å; F549-Y592 PolarHBondContact N-O 3.45Å; F549-N594 WeakPolarHBondContact O-CB 3.41Å; F549-N594 PolarHBondContact O-N 2.9Å; F549-N594 VanDerWaalsContact O-N 3.13Å; F549-L600 HydrophobicContact CD2-CD1 3.8Å; F549-L600 HydrophobicContact CE2-CD1 4.42Å; F549-L600 HydrophobicContact CG-CD1 4.49Å
550	Q	43.5	Very low	40.4	Very low	115 Å²	115	48.7 Å²	48.7	54%	0.537	26%	0.258	S	S	.	.			trans	-100.2	20.7	169.4	-69.3	-169	-16.5	0	0	112.2
551	S	47.6	Very low	40.9	Very low	7 Å²	7	50.8 Å²	50.8	5%	0.049	27%	0.27	C	S	.	.	S	Bend	trans	-120.8	166.7	-169.3	45.4	0	0	0	0	113.2	C556	S551-C556 PolarHBondContact O-SG 3.26Å; S551-C556 PolarHBondContact OG-SG 3.4Å
552	N	48.8	Very low	41.4	Very low	106 Å²	106	45.6 Å²	45.6	57%	0.567	26%	0.259	S	S	*	.			trans	-67.7	150.5	-174.9	-147.2	-3.4	0	0	0	112.3	T554 E555 C556	N552-T554 VanDerWaalsContact C-N 3.27Å; N552-T554 PolarHBondContact O-N 3.28Å; N552-E555 PolarHBondContact O-N 3.02Å; N552-C556 PolarHBondContact O-N 3Å; N552-C556 PolarHBondContact O-SG 2.99Å; N552-C556 VanDerWaalsContact O-SG 3.38Å
553	F	40	Very low	41.7	Very low	101 Å²	101	45.9 Å²	45.9	44%	0.443	26%	0.262	S	S	.	.	H	α-helix	trans	-51.5	-37.4	-170.4	-177.8	-96.3	0	0	0	114.6	T557 L600	F553-T557 HydrophobicContact CD1-CG2 4.34Å; F553-T557 HydrophobicContact CE1-CG2 3.98Å; F553-T557 HydrophobicContact CE2-CG2 4.37Å; F553-T557 HydrophobicContact CZ-CG2 4Å; F553-T557 WeakPolarHBondContact O-CB 3.04Å; F553-T557 WeakPolarHBondContact O-CG2 3.47Å; F553-T557 PolarHBondContact O-N 2.93Å; F553-T557 PolarHBondContact O-OG1 3.28Å; F553-L600 HydrophobicContact CD2-CD2 3.96Å; F553-L600 HydrophobicContact CE2-CD2 3.91Å
554	T	43.8	Very low	41.9	Very low	97 Å²	97	47 Å²	47	60%	0.595	27%	0.267	S	S	*	.	H	α-helix	trans	-70.4	-34.8	179.7	38	0	0	0	0	114.1	N552 T557 A558	N552-T554 VanDerWaalsContact C-N 3.27Å; N552-T554 PolarHBondContact O-N 3.28Å; T554-T557 WeakPolarHBondContact CA-OG1 3.37Å; T554-T557 PolarHBondContact O-OG1 3.13Å; T554-T557 VanDerWaalsContact O-OG1 3.11Å; T554-A558 WeakPolarHBondContact O-CB 3.49Å; T554-A558 PolarHBondContact O-N 3.06Å; T554-A558 VanDerWaalsContact O-N 3.11Å
555	E	45.5	Very low	41.9	Very low	68 Å²	68	53.7 Å²	53.7	32%	0.318	29%	0.293	S	S	.	.	H	α-helix	trans	-76.6	-38.8	177.9	-66.8	173.9	177.9	0	0	110.6	N552 A558 F559	N552-E555 PolarHBondContact O-N 3.02Å; E555-A558 PolarHBondContact O-N 2.97Å; E555-F559 WeakPolarHBondContact O-CB 3.29Å; E555-F559 PolarHBondContact O-N 2.98Å
556	C	44.6	Very low	41.8	Very low	0 Å²	0	58.7 Å²	58.7	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-64.9	-41.2	175.7	-61	0	0	0	0	112.2	F549 S551 N552 A560 L600	F549-C556 HydrophobicContact CB-CB 4.39Å; F549-C556 WeakPolarHBondContact CB-SG 3.07Å; F549-C556 HydrophobicContact CD1-CB 4.43Å; F549-C556 HydrophobicContact CD2-CB 4.45Å; F549-C556 HydrophobicContact CG-CB 4.17Å; S551-C556 PolarHBondContact O-SG 3.26Å; S551-C556 PolarHBondContact OG-SG 3.4Å; N552-C556 PolarHBondContact O-N 3Å; N552-C556 PolarHBondContact O-SG 2.99Å; N552-C556 VanDerWaalsContact O-SG 3.38Å; C556-A560 WeakPolarHBondContact O-CB 3.19Å; C556-A560 PolarHBondContact O-N 3.13Å; C556-L600 HydrophobicContact CB-CD1 3.64Å; C556-L600 HydrophobicContact CB-CD2 4.15Å
557	T	43	Very low	41.5	Very low	49 Å²	49	58.9 Å²	58.9	30%	0.301	32%	0.321	S	S	.	.	H	α-helix	trans	-71	-36.1	176.2	43.5	0	0	0	0	112.2	F553 T554 T561 L600	F553-T557 HydrophobicContact CD1-CG2 4.34Å; F553-T557 HydrophobicContact CE1-CG2 3.98Å; F553-T557 HydrophobicContact CE2-CG2 4.37Å; F553-T557 HydrophobicContact CZ-CG2 4Å; F553-T557 WeakPolarHBondContact O-CB 3.04Å; F553-T557 WeakPolarHBondContact O-CG2 3.47Å; F553-T557 PolarHBondContact O-N 2.93Å; F553-T557 PolarHBondContact O-OG1 3.28Å; T554-T557 WeakPolarHBondContact CA-OG1 3.37Å; T554-T557 PolarHBondContact O-OG1 3.13Å; T554-T557 VanDerWaalsContact O-OG1 3.11Å; T557-T561 WeakPolarHBondContact O-CB 3.34Å; T557-T561 WeakPolarHBondContact O-CG2 3.07Å; T557-T561 PolarHBondContact O-N 3.14Å; T557-T561 PolarHBondContact O-OG1 2.69Å; T557-L600 HydrophobicContact CG2-CD2 4.01Å
558	A	45.8	Very low	40.9	Very low	52 Å²	52	62.9 Å²	62.9	43%	0.43	35%	0.347	S	S	.	.	H	α-helix	trans	-65.2	-44.1	172.4	0	0	0	0	0	112.6	T554 E555 T561 A562	T554-A558 WeakPolarHBondContact O-CB 3.49Å; T554-A558 PolarHBondContact O-N 3.06Å; T554-A558 VanDerWaalsContact O-N 3.11Å; E555-A558 PolarHBondContact O-N 2.97Å; A558-T561 WeakPolarHBondContact CA-OG1 3.23Å; A558-T561 PolarHBondContact O-N 3.43Å; A558-T561 PolarHBondContact O-OG1 2.82Å; A558-T561 VanDerWaalsContact O-OG1 3.08Å; A558-A562 WeakPolarHBondContact O-CB 3.18Å; A558-A562 PolarHBondContact O-N 2.94Å
559	F	46	Very low	40.3	Very low	19 Å²	19	64.7 Å²	64.7	8%	0.083	36%	0.356	C	S	.	.	H	α-helix	trans	-65.7	-45.1	174.7	-179.6	-90.9	0	0	0	111.6	I496 I504 F549 E555 T561 A562 V563	I496-F559 HydrophobicContact CD1-CE1 3.66Å; I496-F559 HydrophobicContact CD1-CZ 3.62Å; I504-F559 HydrophobicContact CG2-CE2 4.08Å; F549-F559 HydrophobicContact CE1-CB 4.41Å; F549-F559 AromaticContact CE1-CD1 3.33Å; F549-F559 HydrophobicContact CE1-CD1 3.33Å; F549-F559 AromaticContact CE1-CE1 3.72Å; F549-F559 HydrophobicContact CE1-CE1 3.72Å; F549-F559 HydrophobicContact CE1-CG 4.03Å; F549-F559 AromaticContact CZ-CD1 3.41Å; F549-F559 HydrophobicContact CZ-CD1 3.41Å; F549-F559 VanDerWaalsContact CZ-CD1 3.41Å; F549-F559 AromaticContact CZ-CE1 3.72Å; F549-F559 HydrophobicContact CZ-CE1 3.72Å; F549-F559 HydrophobicContact CZ-CG 4.46Å; E555-F559 WeakPolarHBondContact O-CB 3.29Å; E555-F559 PolarHBondContact O-N 2.98Å; F559-T561 VanDerWaalsContact C-N 3.35Å; F559-T561 PolarHBondContact O-N 2.82Å; F559-A562 PolarHBondContact O-N 2.99Å; F559-V563 HydrophobicContact CD1-CG2 4.08Å; F559-V563 HydrophobicContact CE1-CG2 3.77Å; F559-V563 HydrophobicContact CE2-CG2 4.32Å; F559-V563 HydrophobicContact CZ-CG2 3.9Å; F559-V563 WeakPolarHBondContact O-CB 3.35Å; F559-V563 VanDerWaalsContact O-CG2 3.27Å; F559-V563 WeakPolarHBondContact O-CG2 3.27Å; F559-V563 PolarHBondContact O-N 3.45Å
560	A	44.6	Very low	39.4	Very low	12 Å²	12	70.6 Å²	70.6	10%	0.099	40%	0.396	C	S	.	.	H	α-helix	trans	-62.7	-39.5	176.1	0	0	0	0	0	112	C556 V564	C556-A560 WeakPolarHBondContact O-CB 3.19Å; C556-A560 PolarHBondContact O-N 3.13Å; A560-V564 VanDerWaalsContact O-CB 3.25Å; A560-V564 WeakPolarHBondContact O-CB 3.47Å; A560-V564 WeakPolarHBondContact O-CG2 3.21Å; A560-V564 PolarHBondContact O-N 3.07Å
561	T	42.7	Very low	38.5	Very low	81 Å²	81	69.9 Å²	69.9	50%	0.497	39%	0.391	S	S	.	.	H	α-helix	trans	-71.7	-32.7	175.5	42.3	0	0	0	0	113.3	T557 A558 F559 K565	T557-T561 WeakPolarHBondContact O-CB 3.34Å; T557-T561 WeakPolarHBondContact O-CG2 3.07Å; T557-T561 PolarHBondContact O-N 3.14Å; T557-T561 PolarHBondContact O-OG1 2.69Å; A558-T561 WeakPolarHBondContact CA-OG1 3.23Å; A558-T561 PolarHBondContact O-N 3.43Å; A558-T561 PolarHBondContact O-OG1 2.82Å; A558-T561 VanDerWaalsContact O-OG1 3.08Å; F559-T561 VanDerWaalsContact C-N 3.35Å; F559-T561 PolarHBondContact O-N 2.82Å; T561-K565 VanDerWaalsContact O-CB 3.25Å; T561-K565 WeakPolarHBondContact O-CB 3.44Å; T561-K565 WeakPolarHBondContact O-CG 3.31Å; T561-K565 PolarHBondContact O-N 3.49Å
562	A	42.7	Very low	37.4	Very low	35 Å²	35	80.6 Å²	80.6	29%	0.289	43%	0.431	S	S	.	.	H	α-helix	trans	-66.2	-47.8	172.1	0	0	0	0	0	111.5	A558 F559 V564 K565 D566	A558-A562 WeakPolarHBondContact O-CB 3.18Å; A558-A562 PolarHBondContact O-N 2.94Å; F559-A562 PolarHBondContact O-N 2.99Å; A562-V564 VanDerWaalsContact C-N 3.35Å; A562-V564 PolarHBondContact O-N 3.28Å; A562-K565 PolarHBondContact O-N 3.32Å; A562-D566 PolarHBondContact O-N 2.95Å; A562-D566 VanDerWaalsContact O-N 3.1Å
563	V	40.7	Very low	36.3	Very low	42 Å²	42	81.6 Å²	81.6	26%	0.255	43%	0.432	S	S	.	.	H	α-helix	trans	-63.3	-38.6	176.8	172.5	0	0	0	0	111.8	F559 L567	F559-V563 HydrophobicContact CD1-CG2 4.08Å; F559-V563 HydrophobicContact CE1-CG2 3.77Å; F559-V563 HydrophobicContact CE2-CG2 4.32Å; F559-V563 HydrophobicContact CZ-CG2 3.9Å; F559-V563 WeakPolarHBondContact O-CB 3.35Å; F559-V563 VanDerWaalsContact O-CG2 3.27Å; F559-V563 WeakPolarHBondContact O-CG2 3.27Å; F559-V563 PolarHBondContact O-N 3.45Å; V563-L567 HydrophobicContact CG1-CD1 3.79Å; V563-L567 WeakPolarHBondContact O-CB 3.35Å; V563-L567 WeakPolarHBondContact O-CD1 3.44Å; V563-L567 VanDerWaalsContact O-CG 3.24Å; V563-L567 WeakPolarHBondContact O-CG 3.37Å; V563-L567 PolarHBondContact O-N 3.32Å
564	V	36.7	Very low	35.6	Very low	65 Å²	65	82.3 Å²	82.3	39%	0.394	44%	0.44	S	S	.	.	H	α-helix	trans	-74	-34.2	176.7	171.4	0	0	0	0	112.5	A560 A562 D566 L601	A560-V564 VanDerWaalsContact O-CB 3.25Å; A560-V564 WeakPolarHBondContact O-CB 3.47Å; A560-V564 WeakPolarHBondContact O-CG2 3.21Å; A560-V564 PolarHBondContact O-N 3.07Å; A562-V564 VanDerWaalsContact C-N 3.35Å; A562-V564 PolarHBondContact O-N 3.28Å; V564-D566 VanDerWaalsContact C-N 3.31Å; V564-L601 HydrophobicContact CG2-CD2 3.77Å
565	K	33.4	Very low	35	Very low	171 Å²	171	83.4 Å²	83.4	74%	0.743	45%	0.446	S	S	*	.	H	α-helix	trans	-65.2	-34.1	173.3	-87.2	-179.8	174.1	179.5	0	112.3	T561 A562	T561-K565 VanDerWaalsContact O-CB 3.25Å; T561-K565 WeakPolarHBondContact O-CB 3.44Å; T561-K565 WeakPolarHBondContact O-CG 3.31Å; T561-K565 PolarHBondContact O-N 3.49Å; A562-K565 PolarHBondContact O-N 3.32Å
566	D	34.4	Very low	34.1	Very low	118 Å²	118	91.4 Å²	91.4	63%	0.631	47%	0.474	S	S	*	.	H	α-helix	trans	-90	-14.7	179.3	-71.5	-27.3	0	0	0	114.1	A562 V564 T568	A562-D566 PolarHBondContact O-N 2.95Å; A562-D566 VanDerWaalsContact O-N 3.1Å; V564-D566 VanDerWaalsContact C-N 3.31Å; D566-T568 VanDerWaalsContact C-N 3.29Å; D566-T568 PolarHBondContact O-N 2.91Å
567	L	30.7	Very low	33.3	Very low	54 Å²	54	95.9 Å²	95.9	28%	0.283	51%	0.505	S	S	.	.			trans	-76.8	70.8	169.4	-84.2	163.6	0	0	0	111.6	V563 L586	V563-L567 HydrophobicContact CG1-CD1 3.79Å; V563-L567 WeakPolarHBondContact O-CB 3.35Å; V563-L567 WeakPolarHBondContact O-CD1 3.44Å; V563-L567 VanDerWaalsContact O-CG 3.24Å; V563-L567 WeakPolarHBondContact O-CG 3.37Å; V563-L567 PolarHBondContact O-N 3.32Å; L567-L586 HydrophobicContact CD1-CD1 4.2Å; L567-L586 HydrophobicContact CD2-CD1 3.95Å
568	T	25.7	Very low	32.5	Very low	99 Å²	99	99.9 Å²	99.9	61%	0.607	54%	0.535	S	S	*	.			trans	-106.3	103.9	166.8	28.7	0	0	0	0	111.4	D566	D566-T568 VanDerWaalsContact C-N 3.29Å; D566-T568 PolarHBondContact O-N 2.91Å
569	L	24.6	Very low	31.5	Very low	67 Å²	67	100.2 Å²	100.2	35%	0.351	54%	0.543	S	S	.	.			trans	-99.6	114.7	176.4	-64.1	161.9	0	0	0	110.5	Q583 L584	L569-Q583 HydrophobicContact CD2-CB 4.28Å; L569-Q583 HydrophobicContact CD2-CG 3.39Å; L569-L584 WeakPolarHBondContact CD1-O 3.41Å; L569-L584 WeakPolarHBondContact CD2-O 3.12Å
570	C	23.3	Very low	30.6	Very low	124 Å²	124	107.5 Å²	107.5	84%	0.838	57%	0.571	S	S	*	*			trans	-154.1	126.9	168.7	-108.7	0	0	0	0	110.3
571	F	24.5	Very low	29.5	Very low	100 Å²	100	114.7 Å²	114.7	44%	0.439	60%	0.6	S	S	.	*			trans	-120.9	114.9	171.4	-83.3	-104.4	0	0	0	110	F539 K581 Q583	F539-F571 HydrophobicContact CZ-CE1 4.46Å; F571-K581 WeakPolarHBondContact CZ-O 3.38Å; F571-Q583 HydrophobicContact CD2-CB 4.23Å; F571-Q583 VanDerWaalsContact CD2-CD 3.4Å; F571-Q583 HydrophobicContact CD2-CG 3.9Å; F571-Q583 HydrophobicContact CE2-CB 3.29Å; F571-Q583 VanDerWaalsContact CE2-CD 3.4Å; F571-Q583 HydrophobicContact CE2-CG 3.4Å; F571-Q583 VanDerWaalsContact CE2-CG 3.4Å; F571-Q583 HydrophobicContact CZ-CB 3.69Å; F571-Q583 HydrophobicContact CZ-CG 4.28Å
572	R	23.9	Very low	28.7	Very low	233 Å²	233	117 Å²	117	88%	0.879	61%	0.609	S	S	*	*			trans	-142.2	124.2	159.7	-157.5	174.6	-169.2	162.2	0.8	108.8	D574	R572-D574 PolarHBondContact O-N 2.88Å
573	H	26.2	Very low	28.1	Very low	127 Å²	127	117.7 Å²	117.7	59%	0.588	61%	0.606	S	S	*	*			trans	-66.4	123.6	176.3	-172.2	-51	0	0	0	109.3
574	D	25.8	Very low	27.5	Very low	115 Å²	115	119.3 Å²	119.3	62%	0.615	61%	0.613	S	S	*	*			trans	-122.1	125.1	164.4	-153.1	-13.1	0	0	0	109	R572 R576	R572-D574 PolarHBondContact O-N 2.88Å; D574-R576 PolarHBondContact O-N 3.04Å
575	V	29.7	Very low	27.3	Very low	121 Å²	121	118 Å²	118	73%	0.733	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.8	8.1	-162.8	-173.6	0	0	0	0	111.8
576	R	27.4	Very low	27.4	Very low	236 Å²	236	111.6 Å²	111.6	89%	0.891	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.3	-2.6	-165.8	-71.6	-174	174.7	174.9	-1.3	117.3	D574	D574-R576 PolarHBondContact O-N 3.04Å
577	S	26.7	Very low	27.3	Very low	94 Å²	94	112.6 Å²	112.6	66%	0.657	57%	0.573	S	S	*	*	S	Bend	trans	-146.2	131.8	177.1	51.7	0	0	0	0	111.9	G579	S577-G579 PolarHBondContact O-N 3.48Å
578	S	26.7	Very low	27.4	Very low	132 Å²	132	113.3 Å²	113.3	92%	0.923	57%	0.573	S	S	*	*			trans	-67.2	109	-176	49.9	0	0	0	0	112.5
579	G	24.4	Very low	28	Very low	59 Å²	59	109.1 Å²	109.1	61%	0.608	55%	0.547	S	S	*	.			trans	174.8	130	165.3	0	0	0	0	0	113.8	S577	S577-G579 PolarHBondContact O-N 3.48Å
580	Y	27.2	Very low	28.6	Very low	173 Å²	173	108.8 Å²	108.8	68%	0.678	54%	0.543	S	S	*	.			trans	-135.5	139.4	170.5	-64.6	-81.2	0	0	0	110.3
581	K	22.7	Very low	29.4	Very low	162 Å²	162	103 Å²	103	70%	0.704	50%	0.504	S	S	*	.			trans	-108.8	156.8	-177.5	-105.6	-176.6	173.8	-172.9	0	111.5	F571	F571-K581 WeakPolarHBondContact CZ-O 3.38Å
582	L	26.3	Very low	30.2	Very low	130 Å²	130	102.1 Å²	102.1	68%	0.681	50%	0.498	S	S	*	.			trans	-70.6	136.8	176.4	-159.7	94.1	0	0	0	111.7
583	Q	29.6	Very low	31	Very low	50 Å²	50	91 Å²	91	23%	0.234	46%	0.456	C	S	.	.			trans	-108.6	121.8	176.3	-150.2	172.6	-14.7	0	0	111.9	F539 L569 F571	F539-Q583 HydrophobicContact CE1-CB 4.25Å; L569-Q583 HydrophobicContact CD2-CB 4.28Å; L569-Q583 HydrophobicContact CD2-CG 3.39Å; F571-Q583 HydrophobicContact CD2-CB 4.23Å; F571-Q583 VanDerWaalsContact CD2-CD 3.4Å; F571-Q583 HydrophobicContact CD2-CG 3.9Å; F571-Q583 HydrophobicContact CE2-CB 3.29Å; F571-Q583 VanDerWaalsContact CE2-CD 3.4Å; F571-Q583 HydrophobicContact CE2-CG 3.4Å; F571-Q583 VanDerWaalsContact CE2-CG 3.4Å; F571-Q583 HydrophobicContact CZ-CB 3.69Å; F571-Q583 HydrophobicContact CZ-CG 4.28Å
584	L	28.6	Very low	31.9	Very low	76 Å²	76	88.7 Å²	88.7	40%	0.398	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	99.7	164.6	-77.6	163.5	0	0	0	108.9	L569 L586	L569-L584 WeakPolarHBondContact CD1-O 3.41Å; L569-L584 WeakPolarHBondContact CD2-O 3.12Å; L584-L586 PolarHBondContact O-N 3.2Å
585	D	32.6	Very low	32.6	Very low	36 Å²	36	87.4 Å²	87.4	19%	0.193	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	98	179.4	-159.1	25	0	0	0	109.9	Q605	D585-Q605 PolarHBondContact OD1-NE2 3.11Å; D585-Q605 VanDerWaalsContact OD1-NE2 3.13Å
586	L	34	Very low	33.1	Very low	38 Å²	38	85.3 Å²	85.3	20%	0.199	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	114	175.4	-66.7	170.5	0	0	0	109.3	L542 V545 L567 L584 L589	L542-L586 HydrophobicContact CB-CD2 4.26Å; L542-L586 HydrophobicContact CD1-CD2 4.39Å; V545-L586 HydrophobicContact CB-CD2 4.17Å; V545-L586 HydrophobicContact CG2-CD2 3.43Å; V545-L586 VanDerWaalsContact CG2-CD2 3.43Å; L567-L586 HydrophobicContact CD1-CD1 4.2Å; L567-L586 HydrophobicContact CD2-CD1 3.95Å; L584-L586 PolarHBondContact O-N 3.2Å; L586-L589 HydrophobicContact CD1-CD1 4.11Å
587	R	32.7	Very low	33.9	Very low	139 Å²	139	79.6 Å²	79.6	53%	0.525	42%	0.424	S	S	.	.	S	Bend	trans	-67.8	-34.6	177	-79.4	-175.4	173.2	-179.7	-2	113.4	Q605	R587-Q605 PolarHBondContact O-N 3.12Å
588	K	33.6	Very low	34.4	Very low	69 Å²	69	80.5 Å²	80.5	30%	0.3	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	118.7	-176.5	-158.8	161.5	-178.8	164.4	0	109.9	V545 K590 V603 E604	V545-K588 PolarHBondContact N-O 3.04Å; K588-K590 HydrophobicContact CG-CG 4.5Å; K588-V603 WeakPolarHBondContact CA-O 3.45Å; K588-E604 HydrophobicContact CD-CG 4.18Å; K588-E604 WeakPolarHBondContact CE-OE1 3.17Å; K588-E604 HydrophobicContact CG-CG 4.15Å; K588-E604 IonicContact NZ-OE1 2.69Å; K588-E604 PolarHBondContact NZ-OE1 3.46Å
589	L	38.1	Very low	35.1	Very low	11 Å²	11	78.5 Å²	78.5	6%	0.058	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	122.6	169.5	-170.5	86.8	0	0	0	107.6	V545 L547 L586 V602 V603	V545-L589 HydrophobicContact CB-CD1 4.47Å; L547-L589 HydrophobicContact CD1-CD1 4.01Å; L586-L589 HydrophobicContact CD1-CD1 4.11Å; L589-V602 WeakPolarHBondContact O-CA 3.01Å; L589-V603 HydrophobicContact CB-CB 4.16Å; L589-V603 HydrophobicContact CD2-CG2 4.46Å; L589-V603 PolarHBondContact N-O 3.28Å; L589-V603 PolarHBondContact O-N 3.4Å
590	K	37.6	Very low	35.9	Very low	60 Å²	60	77 Å²	77	26%	0.261	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	123.8	170.7	-72	-166.5	174.3	-162.7	0	109.4	V545 Q546 L547 K588 L601 V602	V545-K590 PolarHBondContact O-N 3.39Å; Q546-K590 WeakPolarHBondContact CA-O 3.11Å; L547-K590 PolarHBondContact N-O 3.31Å; K588-K590 HydrophobicContact CG-CG 4.5Å; K590-L601 WeakPolarHBondContact CA-O 3.47Å; K590-V602 HydrophobicContact CG-CG1 4.45Å; K590-V602 HydrophobicContact CG-CG2 4.33Å
591	C	40.3	Very low	36.5	Very low	2 Å²	2	71.7 Å²	71.7	1%	0.014	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	127.2	171.7	-63.8	0	0	0	0	109.1	L547 F549 L600 L601	L547-C591 WeakPolarHBondContact O-CA 3.14Å; F549-C591 HydrophobicContact CE2-CB 3.98Å; C591-L600 HydrophobicContact CB-CB 3.65Å; C591-L600 PolarHBondContact O-N 3.02Å; C591-L601 HydrophobicContact CB-CB 4.07Å; C591-L601 PolarHBondContact N-O 3.42Å
592	Y	39.7	Very low	37.4	Very low	81 Å²	81	67.4 Å²	67.4	32%	0.318	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	129.2	178.1	-103.4	-85.9	0	0	0	110.4	L547 N548 F549 D599	L547-Y592 PolarHBondContact O-N 2.61Å; N548-Y592 WeakPolarHBondContact OD1-CB 3.21Å; F549-Y592 PolarHBondContact N-O 3.45Å; Y592-D599 WeakPolarHBondContact CE1-OD1 3.15Å; Y592-D599 PolarHBondContact OH-OD1 3.22Å
593	D	42.2	Very low	38	Very low	1 Å²	1	64.4 Å²	64.4	1%	0.005	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	109.6	167.3	-172.4	-16.7	0	0	0	108.8	V595 N596 C597 Q598 L600	D593-V595 VanDerWaalsContact C-N 3.27Å; D593-V595 PolarHBondContact O-N 3.03Å; D593-V595 WeakPolarHBondContact OD1-CA 3.37Å; D593-V595 WeakPolarHBondContact OD1-CB 3.2Å; D593-V595 PolarHBondContact OD1-N 3.2Å; D593-N596 PolarHBondContact OD1-N 3.18Å; D593-N596 VanDerWaalsContact OD1-N 3.14Å; D593-N596 WeakPolarHBondContact OD2-CB 3.2Å; D593-N596 PolarHBondContact OD2-ND2 3.31Å; D593-C597 WeakPolarHBondContact O-CA 3.07Å; D593-C597 PolarHBondContact O-N 2.76Å; D593-Q598 PolarHBondContact N-O 3.44Å; D593-Q598 PolarHBondContact O-N 2.7Å; D593-L600 HydrophobicContact CB-CD1 3.7Å; D593-L600 HydrophobicContact CB-CG 3.97Å
594	N	43.8	Very low	38.2	Very low	78 Å²	78	67.5 Å²	67.5	42%	0.417	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-12.2	178	-78.2	-22.2	0	0	0	113.2	F549	F549-N594 WeakPolarHBondContact O-CB 3.41Å; F549-N594 PolarHBondContact O-N 2.9Å; F549-N594 VanDerWaalsContact O-N 3.13Å
595	V	40.1	Very low	38.6	Very low	88 Å²	88	68.7 Å²	68.7	53%	0.533	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-42.1	-179.6	-176.5	0	0	0	0	110.4	D593	D593-V595 VanDerWaalsContact C-N 3.27Å; D593-V595 PolarHBondContact O-N 3.03Å; D593-V595 WeakPolarHBondContact OD1-CA 3.37Å; D593-V595 WeakPolarHBondContact OD1-CB 3.2Å; D593-V595 PolarHBondContact OD1-N 3.2Å
596	N	41.5	Very low	38.4	Very low	77 Å²	77	74.8 Å²	74.8	41%	0.412	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	0.3	-178.7	-62.2	-47.6	0	0	0	114.4	D593 Q598	D593-N596 PolarHBondContact OD1-N 3.18Å; D593-N596 VanDerWaalsContact OD1-N 3.14Å; D593-N596 WeakPolarHBondContact OD2-CB 3.2Å; D593-N596 PolarHBondContact OD2-ND2 3.31Å; N596-Q598 VanDerWaalsContact C-N 3.27Å; N596-Q598 PolarHBondContact O-N 2.78Å
597	C	43.6	Very low	37.9	Very low	115 Å²	115	75.3 Å²	75.3	78%	0.777	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	42.6	-176.4	-67.2	0	0	0	0	112.9	D593	D593-C597 WeakPolarHBondContact O-CA 3.07Å; D593-C597 PolarHBondContact O-N 2.76Å
598	Q	36.8	Very low	37.6	Very low	113 Å²	113	76.2 Å²	76.2	53%	0.528	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	142.4	-177.7	-76.2	-176.7	-0.3	0	0	112.1	D593 N596 L600	D593-Q598 PolarHBondContact N-O 3.44Å; D593-Q598 PolarHBondContact O-N 2.7Å; N596-Q598 VanDerWaalsContact C-N 3.27Å; N596-Q598 PolarHBondContact O-N 2.78Å; Q598-L600 PolarHBondContact O-N 2.7Å
599	D	41.8	Very low	37.2	Very low	91 Å²	91	81.7 Å²	81.7	49%	0.487	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	113.8	169.5	-73.7	19	0	0	0	108.6	Y592	Y592-D599 WeakPolarHBondContact CE1-OD1 3.15Å; Y592-D599 PolarHBondContact OH-OD1 3.22Å
600	L	41	Very low	36.6	Very low	26 Å²	26	90.7 Å²	90.7	14%	0.136	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	-36.1	-178.8	-88.4	159.5	0	0	0	112.5	F549 F553 C556 T557 C591 D593 Q598	F549-L600 HydrophobicContact CD2-CD1 3.8Å; F549-L600 HydrophobicContact CE2-CD1 4.42Å; F549-L600 HydrophobicContact CG-CD1 4.49Å; F553-L600 HydrophobicContact CD2-CD2 3.96Å; F553-L600 HydrophobicContact CE2-CD2 3.91Å; C556-L600 HydrophobicContact CB-CD1 3.64Å; C556-L600 HydrophobicContact CB-CD2 4.15Å; T557-L600 HydrophobicContact CG2-CD2 4.01Å; C591-L600 HydrophobicContact CB-CB 3.65Å; C591-L600 PolarHBondContact O-N 3.02Å; D593-L600 HydrophobicContact CB-CD1 3.7Å; D593-L600 HydrophobicContact CB-CG 3.97Å; Q598-L600 PolarHBondContact O-N 2.7Å
601	L	39.6	Very low	35.9	Very low	63 Å²	63	99.1 Å²	99.1	33%	0.33	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.7	133.1	-177.7	-146.9	85.3	0	0	0	110.9	V564 K590 C591 V603	V564-L601 HydrophobicContact CG2-CD2 3.77Å; K590-L601 WeakPolarHBondContact CA-O 3.47Å; C591-L601 HydrophobicContact CB-CB 4.07Å; C591-L601 PolarHBondContact N-O 3.42Å; L601-V603 HydrophobicContact CD2-CG2 3.58Å; L601-V603 HydrophobicContact CG-CG2 4.22Å
602	V	42.2	Very low	35.3	Very low	71 Å²	71	103.4 Å²	103.4	43%	0.43	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	111.6	168.3	-177.8	0	0	0	0	108.2	L589 K590 E604	L589-V602 WeakPolarHBondContact O-CA 3.01Å; K590-V602 HydrophobicContact CG-CG1 4.45Å; K590-V602 HydrophobicContact CG-CG2 4.33Å; V602-E604 HydrophobicContact CG1-CG 4.21Å
603	V	38	Very low	34.6	Very low	67 Å²	67	108 Å²	108	41%	0.406	56%	0.557	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-106.1	109.2	173.5	-174.5	0	0	0	0	107.9	K588 L589 L601	K588-V603 WeakPolarHBondContact CA-O 3.45Å; L589-V603 HydrophobicContact CB-CB 4.16Å; L589-V603 HydrophobicContact CD2-CG2 4.46Å; L589-V603 PolarHBondContact N-O 3.28Å; L589-V603 PolarHBondContact O-N 3.4Å; L601-V603 HydrophobicContact CD2-CG2 3.58Å; L601-V603 HydrophobicContact CG-CG2 4.22Å
604	E	34.3	Very low	33.8	Very low	115 Å²	115	116.5 Å²	116.5	54%	0.537	60%	0.602	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-99.3	134.8	169.4	-72.9	-171	157.6	0	0	109.9	K588 V602 I606	K588-E604 HydrophobicContact CD-CG 4.18Å; K588-E604 WeakPolarHBondContact CE-OE1 3.17Å; K588-E604 HydrophobicContact CG-CG 4.15Å; K588-E604 IonicContact NZ-OE1 2.69Å; K588-E604 PolarHBondContact NZ-OE1 3.46Å; V602-E604 HydrophobicContact CG1-CG 4.21Å; E604-I606 PolarHBondContact O-N 3.48Å
605	Q	38.1	Very low	32.8	Very low	102 Å²	102	124.6 Å²	124.6	48%	0.477	63%	0.626	S	S	.	*			trans	-56.8	118.1	178.7	-174.4	173.2	27.2	0	0	111.7	D585 R587 G607	D585-Q605 PolarHBondContact OD1-NE2 3.11Å; D585-Q605 VanDerWaalsContact OD1-NE2 3.13Å; R587-Q605 PolarHBondContact O-N 3.12Å; Q605-G607 PolarHBondContact O-N 3.09Å
606	I	26.6	Very low	32	Very low	164 Å²	164	129.7 Å²	129.7	84%	0.841	64%	0.641	S	S	*	*			trans	-78.6	104.7	167.2	-58.3	175.1	0	0	0	107.7	E604	E604-I606 PolarHBondContact O-N 3.48Å
607	G	25.1	Very low	31.2	Very low	49 Å²	49	137.3 Å²	137.3	51%	0.505	66%	0.664	S	S	.	*			trans	-73.8	145.6	177.8	0	0	0	0	0	114	Q605	Q605-G607 PolarHBondContact O-N 3.09Å
608	N	25.5	Very low	30.2	Very low	157 Å²	157	138.9 Å²	138.9	84%	0.84	66%	0.664	S	S	*	*			trans	45.6	88.4	153.7	-78.9	-13.8	0	0	0	118.9
609	H	25.7	Very low	29.6	Very low	184 Å²	184	144.4 Å²	144.4	85%	0.852	68%	0.682	S	S	*	*			trans	-138.1	124.4	152	-79.8	-69.7	0	0	0	114.2
610	K	24.6	Very low	28.8	Very low	201 Å²	201	145.8 Å²	145.8	87%	0.874	70%	0.699	S	S	*	*			trans	-62.4	137.4	166.9	-64.8	172.1	175.9	175.2	0	109
611	R	23.7	Very low	28	Very low	236 Å²	236	152.8 Å²	152.8	89%	0.891	73%	0.731	S	S	*	*	S	Bend	trans	100.9	151.4	160.8	-65.4	-170.8	177	-176.9	0.4	118.5
612	P	27.9	Very low	27.2	Very low	93 Å²	93	155.3 Å²	155.3	60%	0.604	75%	0.754	S	S	*	*			trans	-117.7	89	-145.9	37.5	-21.1	0	0	0	112.6
613	H	25.2	Very low	26.4	Very low	177 Å²	177	156.9 Å²	156.9	82%	0.819	77%	0.774	S	S	*	*			trans	-154.3	114.2	167.3	-69	-66.9	0	0	0	108.6
614	L	25.5	Very low	25.7	Very low	179 Å²	179	161.2 Å²	161.2	94%	0.937	80%	0.795	S	S	*	*			trans	177.3	70.1	151.3	-94.1	156	0	0	0	109.8
615	R	21.7	Very low	25.2	Very low	248 Å²	248	163.8 Å²	163.8	94%	0.936	81%	0.812	S	S	*	*			trans	-83.4	114.4	148.4	-83.1	-177.9	176	-179.5	-1.9	105.8
616	K	23.6	Very low	24.4	Very low	195 Å²	195	166.6 Å²	166.6	85%	0.848	83%	0.83	S	S	*	*			trans	-175.1	6.5	153.8	-113.9	175.1	-178.7	-175.2	0	120
617	W	24.2	Very low	24.1	Very low	237 Å²	237	165.5 Å²	165.5	90%	0.898	83%	0.83	S	S	*	*	S	Bend	trans	-109.7	109.6	-179.2	-93.4	60.8	0	0	0	114.5
618	L	23.9	Very low	23.9	Very low	148 Å²	148	172.4 Å²	172.4	78%	0.775	85%	0.847	S	S	*	*			trans	88.5	82.5	150.9	-62.1	163.8	0	0	0	119.2
619	Y	24.1	Very low	23.8	Very low	229 Å²	229	171 Å²	171	90%	0.898	84%	0.844	S	S	*	*			trans	-82.1	138.6	146.3	-90.7	-92.2	0	0	0	109.8
620	S	24.9	Very low	23.7	Very low	121 Å²	121	167.4 Å²	167.4	85%	0.846	84%	0.837	S	S	*	*			trans	-152.6	121.4	147	-178.7	0	0	0	0	108.7
621	E	23.6	Very low	23.7	Very low	172 Å²	172	165.1 Å²	165.1	80%	0.804	83%	0.834	S	S	*	*			trans	-61.6	152.1	171.2	-60.5	165.1	153.3	0	0	109.4
622	S	23.7	Very low	23.8	Very low	117 Å²	117	159 Å²	159	82%	0.818	83%	0.825	S	S	*	*				167.3	152.1	65.6	40.7	0	0	0	0	108.8
623	A	24.8	Very low	23.7	Very low	103 Å²	103	165.9 Å²	165.9	85%	0.851	84%	0.839	S	S	*	*			trans	148.1	116.8	139.8	0	0	0	0	0	113.1
624	D	23.1	Very low	23.7	Very low	158 Å²	158	169.1 Å²	169.1	85%	0.845	84%	0.844	S	S	*	*			trans	-66	151.4	175.9	-63.2	-57.9	0	0	0	113.9
625	L	22.9	Very low	23.8	Very low	169 Å²	169	166.4 Å²	166.4	89%	0.885	84%	0.84	S	S	*	*			trans	-165.1	115.7	145.9	-104	146	0	0	0	111.8
626	N	21.4	Very low	24.1	Very low	161 Å²	161	159.2 Å²	159.2	86%	0.861	83%	0.834	S	S	*	*			trans	-84.9	135.8	169.1	-79.9	-44.2	0	0	0	110.6
627	V	22	Very low	24.4	Very low	141 Å²	141	159 Å²	159	86%	0.855	83%	0.829	S	S	*	*			trans	-142.4	140.5	157.5	-177.1	0	0	0	0	110.5
628	F	19.8	Very low	24.8	Very low	195 Å²	195	150.1 Å²	150.1	86%	0.855	80%	0.802	S	S	*	*			trans	-103.3	-178.1	-168.3	-124.8	-93.8	0	0	0	112.2
629	V	23.5	Very low	25.2	Very low	126 Å²	126	146.5 Å²	146.5	76%	0.764	79%	0.789	S	S	*	*			trans	94.4	154.3	154.5	-142.9	0	0	0	0	116.4
630	P	24	Very low	25.7	Very low	110 Å²	110	141.3 Å²	141.3	71%	0.714	78%	0.777	S	S	*	*				-141.1	165.8	-75.9	44.5	-27.3	0	0	0	117.8
631	N	23.4	Very low	26.3	Very low	152 Å²	152	138.7 Å²	138.7	81%	0.813	75%	0.753	S	S	*	*			trans	52.1	135.8	146.6	-114.2	-4.3	0	0	0	125.4
632	P	27.1	Very low	26.9	Very low	109 Å²	109	131.1 Å²	131.1	71%	0.708	72%	0.718	S	S	*	*			trans	-98.2	130.4	177	36.8	-25.8	0	0	0	113
633	R	24.5	Very low	27.6	Very low	236 Å²	236	129.1 Å²	129.1	89%	0.891	70%	0.697	S	S	*	*			trans	-145.5	108.4	161.2	-76.3	-171.1	178.2	178.7	0	109.4
634	R	26.6	Very low	28.2	Very low	245 Å²	245	130.6 Å²	130.6	93%	0.925	69%	0.686	S	S	*	*			trans	-169.1	74.2	154.7	-104.6	166.7	-165.2	-157.5	5.1	110.9
635	S	26.5	Very low	28.8	Very low	123 Å²	123	126.3 Å²	126.3	86%	0.86	66%	0.662	S	S	*	*			trans	-93.3	106	159.2	61.4	0	0	0	0	108.4
636	A	29.5	Very low	29.9	Very low	96 Å²	96	119.6 Å²	119.6	79%	0.793	63%	0.627	S	S	*	*	S	Bend	trans	174	-20.1	160.4	0	0	0	0	0	113
637	Y	29.8	Very low	30.9	Very low	192 Å²	192	118 Å²	118	75%	0.753	61%	0.614	S	S	*	*	S	Bend	trans	-92.3	-13.8	-168.7	-125.7	-99.1	0	0	0	115.4	S639	Y637-S639 PolarHBondContact O-N 2.77Å
638	C	31.9	Very low	31.7	Very low	50 Å²	50	122 Å²	122	34%	0.338	61%	0.614	S	S	.	*	H	α-helix	trans	-79	-18.5	-170.8	-59.2	0	0	0	0	114.6	N640 I641 V642	C638-N640 PolarHBondContact O-N 3.36Å; C638-I641 PolarHBondContact O-N 2.93Å; C638-V642 WeakPolarHBondContact O-CB 3.11Å; C638-V642 WeakPolarHBondContact O-CG2 3.35Å; C638-V642 PolarHBondContact O-N 3.07Å
639	S	32.3	Very low	32.7	Very low	71 Å²	71	119.7 Å²	119.7	50%	0.497	60%	0.599	S	S	.	*	H	α-helix	trans	-61.3	-43.9	179.6	171.7	0	0	0	0	112.5	Y637 M643	Y637-S639 PolarHBondContact O-N 2.77Å; S639-M643 VanDerWaalsContact O-CG 3.3Å; S639-M643 WeakPolarHBondContact O-CG 3.42Å; S639-M643 PolarHBondContact O-N 2.86Å; S639-M643 VanDerWaalsContact O-N 3.08Å
640	N	33.6	Very low	33.4	Very low	120 Å²	120	114.3 Å²	114.3	64%	0.642	57%	0.569	S	S	*	*	H	α-helix	trans	-74	-34.6	-178.4	-77.7	-14.2	0	0	0	112.5	C638 M643 Q644	C638-N640 PolarHBondContact O-N 3.36Å; N640-M643 PolarHBondContact O-N 2.79Å; N640-Q644 WeakPolarHBondContact O-CB 3.38Å; N640-Q644 WeakPolarHBondContact O-CG 3.24Å; N640-Q644 PolarHBondContact O-N 3.2Å
641	I	37.4	Very low	34.3	Very low	67 Å²	67	113 Å²	113	34%	0.344	55%	0.553	S	S	.	*	H	α-helix	trans	-68.5	-43.5	177.3	-64.4	174	0	0	0	110.2	C638 Q644 M645	C638-I641 PolarHBondContact O-N 2.93Å; I641-Q644 PolarHBondContact O-N 3.2Å; I641-M645 HydrophobicContact CG2-CE 3.53Å; I641-M645 HydrophobicContact CG2-CG 4.37Å; I641-M645 HydrophobicContact CG2-SD 3.95Å; I641-M645 WeakPolarHBondContact O-CB 3.34Å; I641-M645 VanDerWaalsContact O-CG 3.23Å; I641-M645 WeakPolarHBondContact O-CG 3.25Å; I641-M645 PolarHBondContact O-N 3.41Å
642	V	37.8	Very low	35	Very low	12 Å²	12	106.8 Å²	106.8	7%	0.073	52%	0.519	C	S	.	.	H	α-helix	trans	-62.9	-43	175.7	170.3	0	0	0	0	111	C638 M645 I646 L652 L660 F661	C638-V642 WeakPolarHBondContact O-CB 3.11Å; C638-V642 WeakPolarHBondContact O-CG2 3.35Å; C638-V642 PolarHBondContact O-N 3.07Å; V642-M645 PolarHBondContact O-N 3.07Å; V642-I646 HydrophobicContact CG1-CD1 3.71Å; V642-I646 HydrophobicContact CG1-CG1 4.43Å; V642-I646 WeakPolarHBondContact O-CB 3.17Å; V642-I646 WeakPolarHBondContact O-CD1 3.48Å; V642-I646 WeakPolarHBondContact O-CG1 3.43Å; V642-I646 PolarHBondContact O-N 3.02Å; V642-L652 HydrophobicContact CG1-CD1 3.87Å; V642-L660 HydrophobicContact CG2-CD1 4.36Å; V642-F661 HydrophobicContact CG2-CZ 4.48Å
643	M	37.5	Very low	35.7	Very low	75 Å²	75	103.7 Å²	103.7	37%	0.369	50%	0.5	S	S	.	.	H	α-helix	trans	-67.4	-36.4	177.1	-71.4	-68.6	-101.7	0	0	112.8	W273 S639 N640 H647	W273-M643 HydrophobicContact CZ2-SD 4.32Å; S639-M643 VanDerWaalsContact O-CG 3.3Å; S639-M643 WeakPolarHBondContact O-CG 3.42Å; S639-M643 PolarHBondContact O-N 2.86Å; S639-M643 VanDerWaalsContact O-N 3.08Å; N640-M643 PolarHBondContact O-N 2.79Å; M643-H647 VanDerWaalsContact O-CB 3.31Å; M643-H647 WeakPolarHBondContact O-CB 3.39Å; M643-H647 PolarHBondContact O-N 3.38Å
644	Q	37	Very low	36.4	Very low	134 Å²	134	95.1 Å²	95.1	63%	0.626	47%	0.474	S	S	*	.	H	α-helix	trans	-69.7	-37	173	-77.2	-175.5	-6.1	0	0	112.7	N640 I641 H647 R648	N640-Q644 WeakPolarHBondContact O-CB 3.38Å; N640-Q644 WeakPolarHBondContact O-CG 3.24Å; N640-Q644 PolarHBondContact O-N 3.2Å; I641-Q644 PolarHBondContact O-N 3.2Å; Q644-H647 PolarHBondContact O-N 3.1Å; Q644-R648 PolarHBondContact O-N 2.92Å
645	M	36.9	Very low	37	Very low	69 Å²	69	91 Å²	91	34%	0.34	46%	0.463	S	S	.	.	H	α-helix	trans	-67.1	-41.6	174.7	-74.6	178.8	177.5	0	0	111.4	I641 V642 H647 R648 R649 L652 L660	I641-M645 HydrophobicContact CG2-CE 3.53Å; I641-M645 HydrophobicContact CG2-CG 4.37Å; I641-M645 HydrophobicContact CG2-SD 3.95Å; I641-M645 WeakPolarHBondContact O-CB 3.34Å; I641-M645 VanDerWaalsContact O-CG 3.23Å; I641-M645 WeakPolarHBondContact O-CG 3.25Å; I641-M645 PolarHBondContact O-N 3.41Å; V642-M645 PolarHBondContact O-N 3.07Å; M645-H647 VanDerWaalsContact C-N 3.33Å; M645-H647 PolarHBondContact O-N 3.43Å; M645-R648 PolarHBondContact O-N 3.02Å; M645-R649 WeakPolarHBondContact O-CB 3.1Å; M645-R649 PolarHBondContact O-N 2.92Å; M645-L652 HydrophobicContact CB-CD1 4.46Å; M645-L652 HydrophobicContact CB-CD2 4.1Å; M645-L652 HydrophobicContact CB-CG 4.48Å; M645-L652 HydrophobicContact SD-CD2 4.09Å; M645-L660 HydrophobicContact SD-CD1 4.06Å
646	I	44.8	Very low	37.8	Very low	27 Å²	27	87.8 Å²	87.8	14%	0.138	43%	0.434	C	S	.	.	H	α-helix	trans	-63.2	-40.3	172.5	-68.6	165.7	0	0	0	110.8	V642 R648 G650 L652	V642-I646 HydrophobicContact CG1-CD1 3.71Å; V642-I646 HydrophobicContact CG1-CG1 4.43Å; V642-I646 WeakPolarHBondContact O-CB 3.17Å; V642-I646 WeakPolarHBondContact O-CD1 3.48Å; V642-I646 WeakPolarHBondContact O-CG1 3.43Å; V642-I646 PolarHBondContact O-N 3.02Å; I646-R648 VanDerWaalsContact C-N 3.32Å; I646-R648 PolarHBondContact O-N 2.8Å; I646-G650 WeakPolarHBondContact O-CA 3.5Å; I646-G650 PolarHBondContact O-N 3.3Å; I646-L652 HydrophobicContact CG1-CD1 4.15Å
647	H	42.5	Very low	38.4	Very low	129 Å²	129	84.5 Å²	84.5	60%	0.597	40%	0.403	S	S	*	.	H	α-helix	trans	-63.6	-34.2	177.1	-172.9	-78.1	0	0	0	112.9	M643 Q644 M645	M643-H647 VanDerWaalsContact O-CB 3.31Å; M643-H647 WeakPolarHBondContact O-CB 3.39Å; M643-H647 PolarHBondContact O-N 3.38Å; Q644-H647 PolarHBondContact O-N 3.1Å; M645-H647 VanDerWaalsContact C-N 3.33Å; M645-H647 PolarHBondContact O-N 3.43Å
648	R	38.9	Very low	38.9	Very low	224 Å²	224	78.6 Å²	78.6	85%	0.845	38%	0.382	S	S	*	.	H	α-helix	trans	-89.9	-33.4	-179.4	-74	-172.1	177.5	-171.4	-0.1	114.4	Q644 M645 I646	Q644-R648 PolarHBondContact O-N 2.92Å; M645-R648 PolarHBondContact O-N 3.02Å; I646-R648 VanDerWaalsContact C-N 3.32Å; I646-R648 PolarHBondContact O-N 2.8Å
649	R	41.9	Very low	39.6	Very low	146 Å²	146	83.3 Å²	83.3	55%	0.551	40%	0.399	S	S	*	.	H	α-helix	trans	-109.9	-10.5	-173.1	-69.1	-174	170.6	175.1	-1.3	114.7	M645 F651 E656	M645-R649 WeakPolarHBondContact O-CB 3.1Å; M645-R649 PolarHBondContact O-N 2.92Å; R649-F651 WeakPolarHBondContact CB-O 3.45Å; R649-F651 PolarHBondContact O-N 3.46Å; R649-E656 IonicContact CZ-OE1 2.78Å; R649-E656 IonicContact NH1-OE1 3.69Å; R649-E656 PolarHBondContact NH1-OE1 3.3Å
650	G	37.6	Very low	40	Very low	13 Å²	13	82.4 Å²	82.4	13%	0.134	39%	0.388	C	S	.	.	S	Bend	trans	71.7	-19	-178.5	0	0	0	0	0	115.3	I646	I646-G650 WeakPolarHBondContact O-CA 3.5Å; I646-G650 PolarHBondContact O-N 3.3Å
651	F	42.4	Very low	40.5	Very low	84 Å²	84	80.2 Å²	80.2	37%	0.368	37%	0.373	S	S	.	.			trans	-158.6	164.4	170.2	64	-85.7	0	0	0	111.2	R649	R649-F651 WeakPolarHBondContact CB-O 3.45Å; R649-F651 PolarHBondContact O-N 3.46Å
652	L	39.5	Very low	40.5	Very low	21 Å²	21	84.3 Å²	84.3	11%	0.11	40%	0.396	C	S	.	.			trans	-115.4	134.5	167.5	-78.2	158.9	0	0	0	107.8	V642 M645 I646 E656 L657 L660	V642-L652 HydrophobicContact CG1-CD1 3.87Å; M645-L652 HydrophobicContact CB-CD1 4.46Å; M645-L652 HydrophobicContact CB-CD2 4.1Å; M645-L652 HydrophobicContact CB-CG 4.48Å; M645-L652 HydrophobicContact SD-CD2 4.09Å; I646-L652 HydrophobicContact CG1-CD1 4.15Å; L652-E656 HydrophobicContact CD2-CB 3.92Å; L652-L657 HydrophobicContact CB-CD1 4.44Å; L652-L657 HydrophobicContact CB-CD2 4.32Å; L652-L657 HydrophobicContact CB-CG 4.04Å; L652-L657 HydrophobicContact CD1-CD2 4.04Å; L652-L660 HydrophobicContact CD1-CD1 4.34Å; L652-L660 HydrophobicContact CD2-CD1 4.14Å
653	S	41.4	Very low	40.5	Very low	44 Å²	44	84.9 Å²	84.9	31%	0.308	40%	0.402	S	S	.	.			trans	-66.8	155.7	172.1	66.7	0	0	0	0	110.8	F655 E656 L657	S653-F655 PolarHBondContact O-N 2.87Å; S653-E656 WeakPolarHBondContact CB-OE2 3.41Å; S653-E656 PolarHBondContact N-OE2 2.84Å; S653-E656 PolarHBondContact O-N 3.04Å; S653-E656 VanDerWaalsContact O-N 3.11Å; S653-E656 WeakPolarHBondContact OG-CB 3.35Å; S653-E656 VanDerWaalsContact OG-CD 3.31Å; S653-E656 WeakPolarHBondContact OG-CG 3.02Å; S653-E656 PolarHBondContact OG-N 2.99Å; S653-E656 VanDerWaalsContact OG-N 3.13Å; S653-E656 PolarHBondContact OG-OE2 2.75Å; S653-L657 PolarHBondContact O-N 3.16Å
654	V	39.3	Very low	40.5	Very low	55 Å²	55	84.1 Å²	84.1	33%	0.333	40%	0.403	S	S	.	.	H	α-helix	trans	-55.1	-37.4	173.8	166.7	0	0	0	0	110.9	L657 E658 I665	V654-L657 PolarHBondContact O-N 2.89Å; V654-E658 HydrophobicContact CG1-CG 4.33Å; V654-E658 WeakPolarHBondContact O-CB 3.35Å; V654-E658 WeakPolarHBondContact O-CG 3.34Å; V654-E658 PolarHBondContact O-N 3.13Å; V654-I665 HydrophobicContact CB-CD1 4.23Å; V654-I665 HydrophobicContact CG1-CD1 3.7Å; V654-I665 HydrophobicContact CG2-CD1 4.08Å
655	F	39.3	Very low	40.6	Very low	160 Å²	160	80 Å²	80	70%	0.702	38%	0.384	S	S	*	.	H	α-helix	trans	-65.6	-42.6	178	-136	-91.9	0	0	0	111.8	S653 L657 E658 H659	S653-F655 PolarHBondContact O-N 2.87Å; F655-L657 VanDerWaalsContact C-N 3.35Å; F655-L657 PolarHBondContact O-N 3.35Å; F655-E658 PolarHBondContact O-N 2.98Å; F655-H659 VanDerWaalsContact O-CB 3.22Å; F655-H659 WeakPolarHBondContact O-CB 3.33Å; F655-H659 PolarHBondContact O-N 3.45Å
656	E	42.1	Very low	40.6	Very low	55 Å²	55	84 Å²	84	26%	0.257	41%	0.407	S	S	.	.	H	α-helix	trans	-66.6	-35.8	175.7	-72.3	163.2	137.7	0	0	112.1	R649 L652 S653 L660	R649-E656 IonicContact CZ-OE1 2.78Å; R649-E656 IonicContact NH1-OE1 3.69Å; R649-E656 PolarHBondContact NH1-OE1 3.3Å; L652-E656 HydrophobicContact CD2-CB 3.92Å; S653-E656 WeakPolarHBondContact CB-OE2 3.41Å; S653-E656 PolarHBondContact N-OE2 2.84Å; S653-E656 PolarHBondContact O-N 3.04Å; S653-E656 VanDerWaalsContact O-N 3.11Å; S653-E656 WeakPolarHBondContact OG-CB 3.35Å; S653-E656 VanDerWaalsContact OG-CD 3.31Å; S653-E656 WeakPolarHBondContact OG-CG 3.02Å; S653-E656 PolarHBondContact OG-N 2.99Å; S653-E656 VanDerWaalsContact OG-N 3.13Å; S653-E656 PolarHBondContact OG-OE2 2.75Å; E656-L660 WeakPolarHBondContact O-CB 3.33Å; E656-L660 WeakPolarHBondContact O-CD1 3.34Å; E656-L660 VanDerWaalsContact O-CG 3.29Å; E656-L660 WeakPolarHBondContact O-CG 3.46Å; E656-L660 PolarHBondContact O-N 3.37Å
657	L	42.5	Very low	40	Very low	26 Å²	26	90.2 Å²	90.2	14%	0.136	43%	0.433	C	S	.	.	H	α-helix	trans	-69.2	-45.3	175.2	-74	168	0	0	0	112	I280 L652 S653 V654 F655 H659 L660 F661	I280-L657 HydrophobicContact CD1-CD1 4.15Å; L652-L657 HydrophobicContact CB-CD1 4.44Å; L652-L657 HydrophobicContact CB-CD2 4.32Å; L652-L657 HydrophobicContact CB-CG 4.04Å; L652-L657 HydrophobicContact CD1-CD2 4.04Å; S653-L657 PolarHBondContact O-N 3.16Å; V654-L657 PolarHBondContact O-N 2.89Å; F655-L657 VanDerWaalsContact C-N 3.35Å; F655-L657 PolarHBondContact O-N 3.35Å; L657-H659 VanDerWaalsContact C-N 3.26Å; L657-H659 PolarHBondContact O-N 2.69Å; L657-L660 PolarHBondContact O-N 3.44Å; L657-F661 HydrophobicContact CD2-CD2 4.34Å; L657-F661 HydrophobicContact CD2-CE2 3.88Å; L657-F661 WeakPolarHBondContact O-CB 3.38Å; L657-F661 VanDerWaalsContact O-CD2 3.23Å; L657-F661 WeakPolarHBondContact O-CD2 3.43Å; L657-F661 PolarHBondContact O-N 3.3Å
658	E	41.2	Very low	39.6	Very low	68 Å²	68	86.1 Å²	86.1	32%	0.318	42%	0.415	S	S	.	.	H	α-helix	trans	-63.3	-35.3	176.1	-72.1	177.8	162.6	0	0	111.4	V654 F655 D662 I665	V654-E658 HydrophobicContact CG1-CG 4.33Å; V654-E658 WeakPolarHBondContact O-CB 3.35Å; V654-E658 WeakPolarHBondContact O-CG 3.34Å; V654-E658 PolarHBondContact O-N 3.13Å; F655-E658 PolarHBondContact O-N 2.98Å; E658-D662 WeakPolarHBondContact O-CA 3.25Å; E658-D662 PolarHBondContact O-N 3.29Å; E658-I665 HydrophobicContact CG-CD1 4.47Å; E658-I665 HydrophobicContact CG-CG1 3.96Å
659	H	45.2	Very low	39.3	Very low	150 Å²	150	84.6 Å²	84.6	69%	0.694	42%	0.417	S	S	*	.	H	α-helix	trans	-75.6	-31.4	176.1	-146.7	2.2	0	0	0	113.3	F655 L657	F655-H659 VanDerWaalsContact O-CB 3.22Å; F655-H659 WeakPolarHBondContact O-CB 3.33Å; F655-H659 PolarHBondContact O-N 3.45Å; L657-H659 VanDerWaalsContact C-N 3.26Å; L657-H659 PolarHBondContact O-N 2.69Å
660	L	40.8	Very low	39	Very low	51 Å²	51	84.7 Å²	84.7	27%	0.267	42%	0.422	S	S	.	.	H	α-helix	trans	-73.4	-29.3	175.2	-90.1	158.2	0	0	0	113.3	V642 M645 L652 E656 L657	V642-L660 HydrophobicContact CG2-CD1 4.36Å; M645-L660 HydrophobicContact SD-CD1 4.06Å; L652-L660 HydrophobicContact CD1-CD1 4.34Å; L652-L660 HydrophobicContact CD2-CD1 4.14Å; E656-L660 WeakPolarHBondContact O-CB 3.33Å; E656-L660 WeakPolarHBondContact O-CD1 3.34Å; E656-L660 VanDerWaalsContact O-CG 3.29Å; E656-L660 WeakPolarHBondContact O-CG 3.46Å; E656-L660 PolarHBondContact O-N 3.37Å; L657-L660 PolarHBondContact O-N 3.44Å
661	F	44	Very low	38.5	Very low	75 Å²	75	89.6 Å²	89.6	33%	0.329	45%	0.445	S	S	.	.	H	α-helix	trans	-110.6	-2.8	-174.1	-71.2	-71.8	0	0	0	114.4	V642 L657 A663 L668	V642-F661 HydrophobicContact CG2-CZ 4.48Å; L657-F661 HydrophobicContact CD2-CD2 4.34Å; L657-F661 HydrophobicContact CD2-CE2 3.88Å; L657-F661 WeakPolarHBondContact O-CB 3.38Å; L657-F661 VanDerWaalsContact O-CD2 3.23Å; L657-F661 WeakPolarHBondContact O-CD2 3.43Å; L657-F661 PolarHBondContact O-N 3.3Å; F661-A663 PolarHBondContact O-N 2.99Å; F661-L668 HydrophobicContact CB-CD1 4.39Å; F661-L668 HydrophobicContact CB-CD2 3.96Å; F661-L668 HydrophobicContact CD1-CD2 4.24Å; F661-L668 HydrophobicContact CD2-CD1 4.25Å; F661-L668 HydrophobicContact CG-CD1 4.37Å; F661-L668 HydrophobicContact CG-CD2 4.04Å
662	D	37.9	Very low	37.9	Very low	152 Å²	152	90.1 Å²	90.1	81%	0.813	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.6	32.5	-179.8	-114.8	0.6	0	0	0	112.7	E658	E658-D662 WeakPolarHBondContact O-CA 3.25Å; E658-D662 PolarHBondContact O-N 3.29Å
663	A	36.9	Very low	37.5	Very low	24 Å²	24	96.1 Å²	96.1	20%	0.198	50%	0.497	C	S	.	.	S	Bend	trans	-150.5	139.7	-174.6	0	0	0	0	0	110.6	F661	F661-A663 PolarHBondContact O-N 2.99Å
664	P	38.6	Very low	36.9	Very low	60 Å²	60	97.4 Å²	97.4	39%	0.39	51%	0.51	S	S	.	.			trans	-60.6	140.1	169.3	25.4	-31.8	0	0	0	109.3	D666 K667	P664-D666 PolarHBondContact O-N 2.9Å; P664-K667 HydrophobicContact CG-CB 4.43Å; P664-K667 HydrophobicContact CG-CD 3.91Å; P664-K667 HydrophobicContact CG-CG 4.06Å; P664-K667 PolarHBondContact O-N 3.11Å
665	I	38.3	Very low	36.3	Very low	47 Å²	47	101.7 Å²	101.7	24%	0.241	53%	0.531	C	S	.	.	G	3₁₀ helix	trans	-52	-31.7	-175.3	-74.5	179.9	0	0	0	112.3	V654 E658 K667 L668	V654-I665 HydrophobicContact CB-CD1 4.23Å; V654-I665 HydrophobicContact CG1-CD1 3.7Å; V654-I665 HydrophobicContact CG2-CD1 4.08Å; E658-I665 HydrophobicContact CG-CD1 4.47Å; E658-I665 HydrophobicContact CG-CG1 3.96Å; I665-K667 PolarHBondContact O-N 3.08Å; I665-K667 VanDerWaalsContact O-N 3.13Å; I665-L668 HydrophobicContact CG1-CD1 4.32Å; I665-L668 WeakPolarHBondContact O-CB 3.29Å; I665-L668 PolarHBondContact O-N 3.45Å
666	D	37.5	Very low	35.7	Very low	153 Å²	153	99.3 Å²	99.3	82%	0.818	53%	0.531	S	S	*	.	G	3₁₀ helix	trans	-62.5	-18	-179.8	-43.9	-18	0	0	0	113.7	P664	P664-D666 PolarHBondContact O-N 2.9Å
667	K	33.2	Very low	34.8	Very low	158 Å²	158	104.9 Å²	104.9	69%	0.687	56%	0.562	S	S	*	*	G	3₁₀ helix	trans	-102.1	-2.6	177.6	-68.4	-174.3	-180	179.8	0	113.7	P664 I665 H669	P664-K667 HydrophobicContact CG-CB 4.43Å; P664-K667 HydrophobicContact CG-CD 3.91Å; P664-K667 HydrophobicContact CG-CG 4.06Å; P664-K667 PolarHBondContact O-N 3.11Å; I665-K667 PolarHBondContact O-N 3.08Å; I665-K667 VanDerWaalsContact O-N 3.13Å; K667-H669 PolarHBondContact O-N 3.11Å
668	L	33.3	Very low	34.2	Very low	42 Å²	42	109.7 Å²	109.7	22%	0.22	59%	0.592	C	S	.	*			trans	-79.9	98.2	178.5	-70.4	170	0	0	0	110.6	F661 I665 F670	F661-L668 HydrophobicContact CB-CD1 4.39Å; F661-L668 HydrophobicContact CB-CD2 3.96Å; F661-L668 HydrophobicContact CD1-CD2 4.24Å; F661-L668 HydrophobicContact CD2-CD1 4.25Å; F661-L668 HydrophobicContact CG-CD1 4.37Å; F661-L668 HydrophobicContact CG-CD2 4.04Å; I665-L668 HydrophobicContact CG1-CD1 4.32Å; I665-L668 WeakPolarHBondContact O-CB 3.29Å; I665-L668 PolarHBondContact O-N 3.45Å; L668-F670 HydrophobicContact CB-CD2 4.06Å; L668-F670 HydrophobicContact CB-CE2 3.54Å; L668-F670 HydrophobicContact CB-CZ 4.13Å; L668-F670 HydrophobicContact CD1-CE2 4.07Å; L668-F670 HydrophobicContact CD1-CZ 4.03Å; L668-F670 HydrophobicContact CG-CE2 4.39Å; L668-F670 PolarHBondContact O-N 2.86Å
669	H	32.8	Very low	33.6	Very low	192 Å²	192	118.3 Å²	118.3	89%	0.889	62%	0.622	S	S	*	*			trans	-76.6	96.9	166.1	-80.7	-76.3	0	0	0	110.1	K667 N671	K667-H669 PolarHBondContact O-N 3.11Å; H669-N671 PolarHBondContact O-N 2.88Å
670	F	34.9	Very low	32.7	Very low	149 Å²	149	118.7 Å²	118.7	65%	0.654	63%	0.634	S	S	*	*			trans	-77	101.6	171.5	-71.4	-82.8	0	0	0	110.3	L668 A672	L668-F670 HydrophobicContact CB-CD2 4.06Å; L668-F670 HydrophobicContact CB-CE2 3.54Å; L668-F670 HydrophobicContact CB-CZ 4.13Å; L668-F670 HydrophobicContact CD1-CE2 4.07Å; L668-F670 HydrophobicContact CD1-CZ 4.03Å; L668-F670 HydrophobicContact CG-CE2 4.39Å; L668-F670 PolarHBondContact O-N 2.86Å; F670-A672 PolarHBondContact O-N 2.7Å
671	N	27.7	Very low	32	Very low	116 Å²	116	119.1 Å²	119.1	62%	0.62	65%	0.651	S	S	*	*			trans	-78.7	103.4	169.2	-169.2	-7.5	0	0	0	109.3	H669 N673 A674	H669-N671 PolarHBondContact O-N 2.88Å; N671-N673 PolarHBondContact O-N 3.37Å; N671-N673 PolarHBondContact OD1-N 2.61Å; N671-A674 PolarHBondContact O-N 3.17Å
672	A	30.1	Very low	31.3	Very low	94 Å²	94	125 Å²	125	78%	0.777	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.7	-6	-178.9	0	0	0	0	0	114.6	F670	F670-A672 PolarHBondContact O-N 2.7Å
673	N	29.6	Very low	30.8	Very low	147 Å²	147	126.5 Å²	126.5	79%	0.786	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.2	4.4	-176.1	-66.1	-17.1	0	0	0	114.5	N671	N671-N673 PolarHBondContact O-N 3.37Å; N671-N673 PolarHBondContact OD1-N 2.61Å
674	A	29.2	Very low	30.5	Very low	71 Å²	71	130.9 Å²	130.9	59%	0.587	71%	0.709	S	S	*	*			trans	-103.5	68.1	-177.9	0	0	0	0	0	112.2	N671	N671-A674 PolarHBondContact O-N 3.17Å
675	L	27	Very low	30.1	Very low	146 Å²	146	132 Å²	132	76%	0.764	72%	0.723	S	S	*	*			trans	-116.6	102.9	164.5	-91.6	157	0	0	0	107.7	L677	L675-L677 PolarHBondContact O-N 3.19Å; L675-L677 VanDerWaalsContact O-N 3.12Å
676	P	27.3	Very low	29.9	Very low	110 Å²	110	142.4 Å²	142.4	71%	0.714	77%	0.77	S	S	*	*			trans	-72.8	107	169.4	27.3	-24.1	0	0	0	107.8	T678	P676-T678 PolarHBondContact O-N 3.29Å; P676-T678 VanDerWaalsContact O-N 3.11Å
677	L	23.9	Very low	29.5	Very low	172 Å²	172	141.9 Å²	141.9	90%	0.901	77%	0.767	S	S	*	*			trans	-64.2	96.5	160.5	-76.7	157.6	0	0	0	107.8	L675	L675-L677 PolarHBondContact O-N 3.19Å; L675-L677 VanDerWaalsContact O-N 3.12Å
678	T	28.3	Very low	29.3	Very low	126 Å²	126	141.1 Å²	141.1	77%	0.773	77%	0.772	S	S	*	*			trans	-127	115.9	164.3	39.3	0	0	0	0	110.3	P676	P676-T678 PolarHBondContact O-N 3.29Å; P676-T678 VanDerWaalsContact O-N 3.11Å
679	R	28.2	Very low	29.1	Very low	250 Å²	250	146.6 Å²	146.6	94%	0.943	80%	0.802	S	S	*	*			trans	-58	137.1	177.4	-73.5	174	171.1	172.1	-4	110.1
680	V	26.6	Very low	28.8	Very low	157 Å²	157	143.9 Å²	143.9	95%	0.952	80%	0.797	S	S	*	*			trans	-63.2	125.5	163.1	175.5	0	0	0	0	108.4
681	G	27.2	Very low	28.5	Very low	60 Å²	60	143.6 Å²	143.6	62%	0.619	81%	0.806	S	S	*	*			trans	153.2	121.7	169.3	0	0	0	0	0	112
682	E	29.8	Very low	28.5	Very low	199 Å²	199	145.4 Å²	145.4	93%	0.93	82%	0.819	S	S	*	*			trans	95.8	90.1	168.3	-55.8	176.6	-178	0	0	116.6
683	E	26.4	Very low	28.4	Very low	183 Å²	183	149.1 Å²	149.1	86%	0.855	82%	0.821	S	S	*	*			trans	-62.3	170.4	139.9	-77	-173.4	162	0	0	110.2
684	P	31.6	Very low	28.3	Very low	117 Å²	117	149.2 Å²	149.2	76%	0.76	82%	0.824	S	S	*	*			cis	-143.5	-177.5	14.1	28.3	-2.1	0	0	0	117
685	A	28.9	Very low	28.3	Very low	83 Å²	83	155.8 Å²	155.8	69%	0.686	84%	0.844	S	S	*	*			trans	73.5	98.9	145.3	0	0	0	0	0	121.4
686	H	33.9	Very low	28.4	Very low	266 Å²	266	156.6 Å²	156.6	100%	1.231	85%	0.851	S	S	*	*				-162.8	0	106.5	-101.3	-60.6	0	0	0	111.5

Retrieved 686 of 686 residues in 460.9 ms (Link to these results)

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