A0A077ZD29_TRITR Loading...

60S ribosomal export protein NMD3

Acts as an adapter for the XPO1/CRM1-mediated export of the 60S ribosomal subunit.

AlphaFold DB , UniProt , Accession A0A077ZD29, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 493 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.7	Very low	74.3	Confident	229 Å²	229	105.8 Å²	105.8	100%	1.128	57%	0.57	S	S	*	*				0	105.6	0	-122.2	167.3	85	0	0	106.7	C3	M1-C3 PolarHBondContact O-N 3.24Å
2	M	50.2	Low	75.5	Confident	175 Å²	175	100.3 Å²	100.3	86%	0.862	56%	0.556	S	S	*	*			trans	-69.3	109.3	170.2	-86.6	177	166.3	0	0	106.8	F4	M2-F4 PolarHBondContact O-N 2.93Å
3	C	56	Low	76.5	Confident	98 Å²	98	98.3 Å²	98.3	66%	0.662	55%	0.548	S	S	*	.			trans	-66.4	104.9	167.9	-73.2	0	0	0	0	107.3	M1 L5	M1-C3 PolarHBondContact O-N 3.24Å; C3-L5 VanDerWaalsContact C-N 3.29Å; C3-L5 PolarHBondContact O-N 3.4Å
4	F	68	Low	77.4	Confident	173 Å²	173	97.1 Å²	97.1	76%	0.759	55%	0.547	S	S	*	.			trans	-68.1	92.2	169	-80.9	-87.4	0	0	0	108	M2 P17	M2-F4 PolarHBondContact O-N 2.93Å; F4-P17 WeakPolarHBondContact O-CD 3.31Å
5	L	76.7	Confident	77.9	Confident	108 Å²	108	91.8 Å²	91.8	57%	0.565	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-77.9	129	168.7	-71.5	162.7	0	0	0	108.3	C3 P14	C3-L5 VanDerWaalsContact C-N 3.29Å; C3-L5 PolarHBondContact O-N 3.4Å; L5-P14 HydrophobicContact CB-CB 4.29Å; L5-P14 HydrophobicContact CD1-CB 4.44Å
6	S	83	Confident	78.2	Confident	32 Å²	32	95.9 Å²	95.9	22%	0.224	53%	0.53	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	168.2	169.3	65.5	0	0	0	0	109.9	P14 I15	S6-P14 CarbonylContact O-C 3.5Å; S6-P14 VanDerWaalsContact O-CA 3.31Å; S6-P14 WeakPolarHBondContact O-CA 3.35Å; S6-I15 PolarHBondContact N-O 3.2Å; S6-I15 PolarHBondContact O-N 2.93Å; S6-I15 WeakPolarHBondContact OG-CG1 3.44Å; S6-I15 PolarHBondContact OG-O 2.87Å
7	L	88.4	Confident	78.4	Confident	120 Å²	120	95.6 Å²	95.6	63%	0.628	53%	0.533	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.6	138.3	175.3	-62.5	167.6	0	0	0	109.7	C9 G12	L7-C9 PolarHBondContact O-N 3.1Å; L7-G12 VanDerWaalsContact CD2-O 3.22Å; L7-G12 WeakPolarHBondContact CD2-O 3.21Å
8	C	87.8	Confident	78.5	Confident	4 Å²	4	92.6 Å²	92.6	3%	0.027	52%	0.516	C	S	.	.	P	Polyproline II helix	trans	-58.3	129.8	170	177.1	0	0	0	0	110.6	D10 C11 G12 V13 I15 N21 C23	C8-D10 PolarHBondContact O-N 3.36Å; C8-C11 PolarHBondContact SG-SG 2.84Å; C8-G12 WeakPolarHBondContact O-CA 3.47Å; C8-G12 PolarHBondContact O-N 2.89Å; C8-V13 WeakPolarHBondContact CB-O 3.22Å; C8-V13 PolarHBondContact N-O 3.21Å; C8-I15 HydrophobicContact CB-CD1 4.24Å; C8-I15 HydrophobicContact CB-CG2 4.41Å; C8-N21 WeakPolarHBondContact CA-O 3.38Å; C8-C23 HydrophobicContact CB-CB 3.93Å; C8-C23 PolarHBondContact SG-N 3.14Å
9	C	88.1	Confident	78.6	Confident	82 Å²	82	97.3 Å²	97.3	55%	0.554	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-25.5	-179	66.3	0	0	0	0	114.2	L7 N21 K22	L7-C9 PolarHBondContact O-N 3.1Å; C9-N21 PolarHBondContact N-O 3.2Å; C9-K22 VanDerWaalsContact SG-CG 3.53Å
10	D	87.6	Confident	78.8	Confident	79 Å²	79	94.8 Å²	94.8	42%	0.422	52%	0.521	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	-37.8	-174.3	-66.4	-16	0	0	0	112.9	C8 K22 C26 N30	C8-D10 PolarHBondContact O-N 3.36Å; D10-K22 WeakPolarHBondContact OD2-CE 3.47Å; D10-C26 HydrophobicContact CB-CB 4.03Å; D10-N30 PolarHBondContact OD2-ND2 3.3Å
11	C	91.3	Very high	79.2	Confident	64 Å²	64	94.4 Å²	94.4	43%	0.432	52%	0.519	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.4	-5.4	-173	69.3	0	0	0	0	115.3	C8 V13 C26	C8-C11 PolarHBondContact SG-SG 2.84Å; C11-V13 PolarHBondContact O-N 2.77Å; C11-V13 VanDerWaalsContact SG-CG2 3.55Å; C11-C26 PolarHBondContact SG-SG 3.45Å
12	G	87.8	Confident	81.4	Confident	40 Å²	40	85.4 Å²	85.4	41%	0.412	47%	0.473	S	S	.	.			trans	71.6	8	178.3	0	0	0	0	0	115.8	L7 C8	L7-G12 VanDerWaalsContact CD2-O 3.22Å; L7-G12 WeakPolarHBondContact CD2-O 3.21Å; C8-G12 WeakPolarHBondContact O-CA 3.47Å; C8-G12 PolarHBondContact O-N 2.89Å
13	V	89.2	Confident	83.1	Confident	74 Å²	74	77.9 Å²	77.9	45%	0.448	44%	0.438	S	S	.	.			trans	-68.4	137.9	175	173.9	0	0	0	0	110.1	C8 C11 I15	C8-V13 WeakPolarHBondContact CB-O 3.22Å; C8-V13 PolarHBondContact N-O 3.21Å; C11-V13 PolarHBondContact O-N 2.77Å; C11-V13 VanDerWaalsContact SG-CG2 3.55Å; V13-I15 PolarHBondContact O-N 3.27Å
14	P	88.5	Confident	84.4	Confident	81 Å²	81	76.7 Å²	76.7	53%	0.526	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	129	174.5	26.1	-34.1	0	0	0	111.3	L5 S6	L5-P14 HydrophobicContact CB-CB 4.29Å; L5-P14 HydrophobicContact CD1-CB 4.44Å; S6-P14 CarbonylContact O-C 3.5Å; S6-P14 VanDerWaalsContact O-CA 3.31Å; S6-P14 WeakPolarHBondContact O-CA 3.35Å
15	I	85.1	Confident	85.2	Confident	18 Å²	18	70.6 Å²	70.6	9%	0.092	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	153	-177.5	61.1	174.3	0	0	0	111.3	S6 C8 V13 C23	S6-I15 PolarHBondContact N-O 3.2Å; S6-I15 PolarHBondContact O-N 2.93Å; S6-I15 WeakPolarHBondContact OG-CG1 3.44Å; S6-I15 PolarHBondContact OG-O 2.87Å; C8-I15 HydrophobicContact CB-CD1 4.24Å; C8-I15 HydrophobicContact CB-CG2 4.41Å; V13-I15 PolarHBondContact O-N 3.27Å; I15-C23 HydrophobicContact CG2-CB 3.41Å; I15-C23 VanDerWaalsContact CG2-CB 3.41Å
16	E	82.9	Confident	85.7	Confident	157 Å²	157	66.4 Å²	66.4	73%	0.734	39%	0.392	S	S	*	.			trans	-63.2	135.4	162.1	-65.8	-172.5	163.8	0	0	109.1	N18	E16-N18 PolarHBondContact O-N 2.93Å
17	P	82	Confident	85.8	Confident	91 Å²	91	64.9 Å²	64.9	59%	0.591	38%	0.382	S	S	*	.			trans	-54.7	126.8	179.9	-24.7	32.9	0	0	0	111.8	F4	F4-P17 WeakPolarHBondContact O-CD 3.31Å
18	N	80.2	Confident	85.4	Confident	42 Å²	42	67 Å²	67	23%	0.225	38%	0.382	C	S	.	.			trans	-131.3	168.3	175.4	66.3	6.4	0	0	0	111	E16 V20 N21 K22	E16-N18 PolarHBondContact O-N 2.93Å; N18-V20 PolarHBondContact O-N 3.05Å; N18-V20 VanDerWaalsContact O-N 3.1Å; N18-N21 PolarHBondContact O-N 2.86Å; N18-N21 PolarHBondContact O-OD1 3.36Å; N18-N21 WeakPolarHBondContact OD1-CA 3.45Å; N18-N21 PolarHBondContact OD1-N 3.5Å; N18-K22 PolarHBondContact ND2-O 3.5Å; N18-K22 PolarHBondContact OD1-N 3.17Å
19	E	80.3	Confident	85.1	Confident	181 Å²	181	70.7 Å²	70.7	85%	0.846	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-26.4	-174.5	-64.4	-176.8	162.8	0	0	114.3
20	V	81.9	Confident	84.8	Confident	47 Å²	47	71.4 Å²	71.4	29%	0.285	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-5.3	-175.6	-69.9	0	0	0	0	113.8	N18 K22 V27 A111	N18-V20 PolarHBondContact O-N 3.05Å; N18-V20 VanDerWaalsContact O-N 3.1Å; V20-K22 HydrophobicContact CB-CB 4.48Å; V20-K22 HydrophobicContact CG2-CB 4.01Å; V20-K22 PolarHBondContact O-N 3.2Å; V20-K22 VanDerWaalsContact O-N 3.14Å; V20-V27 HydrophobicContact CG2-CG2 3.93Å; V20-A111 HydrophobicContact CB-CB 4.38Å; V20-A111 HydrophobicContact CG1-CB 3.8Å; V20-A111 HydrophobicContact CG2-CB 3.69Å
21	N	86.7	Confident	84.5	Confident	88 Å²	88	71 Å²	71	47%	0.471	41%	0.406	S	S	.	.			trans	48.8	32.3	-172.1	-62.8	-45.2	0	0	0	114.3	C8 C9 N18	C8-N21 WeakPolarHBondContact CA-O 3.38Å; C9-N21 PolarHBondContact N-O 3.2Å; N18-N21 PolarHBondContact O-N 2.86Å; N18-N21 PolarHBondContact O-OD1 3.36Å; N18-N21 WeakPolarHBondContact OD1-CA 3.45Å; N18-N21 PolarHBondContact OD1-N 3.5Å
22	K	86.9	Confident	84.1	Confident	40 Å²	40	70.6 Å²	70.6	17%	0.174	40%	0.4	C	S	.	.			trans	-120.7	140.9	-178.4	-73.7	176.1	-176.7	176.1	0	110.9	C9 D10 N18 V20 C26 V27 E31	C9-K22 VanDerWaalsContact SG-CG 3.53Å; D10-K22 WeakPolarHBondContact OD2-CE 3.47Å; N18-K22 PolarHBondContact ND2-O 3.5Å; N18-K22 PolarHBondContact OD1-N 3.17Å; V20-K22 HydrophobicContact CB-CB 4.48Å; V20-K22 HydrophobicContact CG2-CB 4.01Å; V20-K22 PolarHBondContact O-N 3.2Å; V20-K22 VanDerWaalsContact O-N 3.14Å; K22-C26 HydrophobicContact CB-CB 4.32Å; K22-V27 HydrophobicContact CB-CG2 3.55Å; K22-E31 IonicContact NZ-OE1 3.63Å
23	C	86.9	Confident	83.8	Confident	17 Å²	17	69 Å²	69	12%	0.115	38%	0.382	C	S	.	.			trans	-69.3	158.3	171.6	79.8	0	0	0	0	111.2	C8 I15 G25 C26 V27	C8-C23 HydrophobicContact CB-CB 3.93Å; C8-C23 PolarHBondContact SG-N 3.14Å; I15-C23 HydrophobicContact CG2-CB 3.41Å; I15-C23 VanDerWaalsContact CG2-CB 3.41Å; C23-G25 PolarHBondContact O-N 3.26Å; C23-G25 VanDerWaalsContact O-N 3.09Å; C23-C26 PolarHBondContact O-N 2.83Å; C23-C26 PolarHBondContact SG-N 3.09Å; C23-C26 VanDerWaalsContact SG-N 3.36Å; C23-V27 WeakPolarHBondContact O-CG2 3.5Å; C23-V27 PolarHBondContact O-N 3.26Å
24	V	84.2	Confident	83.6	Confident	73 Å²	73	65.5 Å²	65.5	44%	0.442	36%	0.36	S	S	.	.	H	α-helix	trans	-52.8	-35.9	179.6	-179.2	0	0	0	0	112.2	R28 V113	V24-R28 WeakPolarHBondContact O-CB 3.39Å; V24-R28 VanDerWaalsContact O-CG 3.29Å; V24-R28 WeakPolarHBondContact O-CG 3.33Å; V24-R28 PolarHBondContact O-N 3.29Å; V24-V113 HydrophobicContact CG1-CG1 4.02Å; V24-V113 HydrophobicContact CG2-CG2 4.21Å
25	G	84.4	Confident	83.4	Confident	45 Å²	45	67.2 Å²	67.2	46%	0.464	37%	0.365	S	S	.	.	H	α-helix	trans	-66.1	-46.5	176.2	0	0	0	0	0	113.3	C23 R28 A29	C23-G25 PolarHBondContact O-N 3.26Å; C23-G25 VanDerWaalsContact O-N 3.09Å; G25-R28 PolarHBondContact O-N 2.71Å; G25-A29 WeakPolarHBondContact O-CB 3.49Å; G25-A29 PolarHBondContact O-N 3.29Å
26	C	86.5	Confident	83.3	Confident	19 Å²	19	68 Å²	68	13%	0.128	37%	0.372	C	S	.	.	H	α-helix	trans	-69.9	-37.7	178.3	-67.8	0	0	0	0	112.2	D10 C11 K22 C23 R28 A29 N30	D10-C26 HydrophobicContact CB-CB 4.03Å; C11-C26 PolarHBondContact SG-SG 3.45Å; K22-C26 HydrophobicContact CB-CB 4.32Å; C23-C26 PolarHBondContact O-N 2.83Å; C23-C26 PolarHBondContact SG-N 3.09Å; C23-C26 VanDerWaalsContact SG-N 3.36Å; C26-R28 VanDerWaalsContact C-N 3.34Å; C26-R28 PolarHBondContact O-N 2.94Å; C26-A29 PolarHBondContact O-N 3.19Å; C26-N30 WeakPolarHBondContact O-CB 3.42Å; C26-N30 PolarHBondContact O-N 3.3Å
27	V	84.6	Confident	83.5	Confident	1 Å²	1	61 Å²	61	1%	0.006	34%	0.34	C	S	.	.	H	α-helix	trans	-58	-47.5	171.4	174.9	0	0	0	0	110	V20 K22 C23 A29 E31 V113 L115	V20-V27 HydrophobicContact CG2-CG2 3.93Å; K22-V27 HydrophobicContact CB-CG2 3.55Å; C23-V27 WeakPolarHBondContact O-CG2 3.5Å; C23-V27 PolarHBondContact O-N 3.26Å; V27-A29 VanDerWaalsContact C-N 3.32Å; V27-A29 PolarHBondContact O-N 3.37Å; V27-E31 HydrophobicContact CG1-CG 4Å; V27-E31 WeakPolarHBondContact O-CB 3.21Å; V27-E31 WeakPolarHBondContact O-CG 3.43Å; V27-E31 PolarHBondContact O-N 2.97Å; V27-V113 HydrophobicContact CG1-CB 4.46Å; V27-L115 HydrophobicContact CG1-CD1 4.12Å; V27-L115 HydrophobicContact CG1-CD2 4.33Å
28	R	81.5	Confident	83.9	Confident	165 Å²	165	59 Å²	59	62%	0.623	33%	0.327	S	S	*	.	H	α-helix	trans	-62.8	-34.2	176.7	-77.7	172.9	-179.5	-174.5	2.8	114.1	V24 G25 C26 L115	V24-R28 WeakPolarHBondContact O-CB 3.39Å; V24-R28 VanDerWaalsContact O-CG 3.29Å; V24-R28 WeakPolarHBondContact O-CG 3.33Å; V24-R28 PolarHBondContact O-N 3.29Å; G25-R28 PolarHBondContact O-N 2.71Å; C26-R28 VanDerWaalsContact C-N 3.34Å; C26-R28 PolarHBondContact O-N 2.94Å; R28-L115 HydrophobicContact CB-CD2 4.13Å; R28-L115 HydrophobicContact CG-CD2 3.29Å
29	A	81.3	Confident	84.4	Confident	80 Å²	80	62.4 Å²	62.4	66%	0.661	34%	0.336	S	S	*	.	H	α-helix	trans	-79.3	-36.4	-177.5	0	0	0	0	0	112.8	G25 C26 V27	G25-A29 WeakPolarHBondContact O-CB 3.49Å; G25-A29 PolarHBondContact O-N 3.29Å; C26-A29 PolarHBondContact O-N 3.19Å; V27-A29 VanDerWaalsContact C-N 3.32Å; V27-A29 PolarHBondContact O-N 3.37Å
30	N	81.9	Confident	85	Confident	97 Å²	97	59.6 Å²	59.6	52%	0.519	32%	0.323	S	S	.	.	H	α-helix	trans	-102.4	-26.9	-170.5	-69.5	-23.5	0	0	0	113.9	D10 C26	D10-N30 PolarHBondContact OD2-ND2 3.3Å; C26-N30 WeakPolarHBondContact O-CB 3.42Å; C26-N30 PolarHBondContact O-N 3.3Å
31	E	81	Confident	85.5	Confident	70 Å²	70	58.3 Å²	58.3	33%	0.327	32%	0.316	S	S	.	.			trans	-88	117.6	-178.5	-64.7	-66.2	150	0	0	111.8	K22 V27 V110 L115	K22-E31 IonicContact NZ-OE1 3.63Å; V27-E31 HydrophobicContact CG1-CG 4Å; V27-E31 WeakPolarHBondContact O-CB 3.21Å; V27-E31 WeakPolarHBondContact O-CG 3.43Å; V27-E31 PolarHBondContact O-N 2.97Å; E31-V110 HydrophobicContact CG-CG1 4.16Å; E31-L115 HydrophobicContact CB-CD1 3.82Å
32	N	81.6	Confident	85.7	Confident	57 Å²	57	59.6 Å²	59.6	31%	0.305	32%	0.32	S	S	.	.			trans	-99.2	106	175.7	-174.7	3	0	0	0	110.7	S34 D35 Q117	N32-S34 PolarHBondContact O-N 2.93Å; N32-S34 WeakPolarHBondContact OD1-CB 3.29Å; N32-S34 PolarHBondContact OD1-N 3.39Å; N32-S34 PolarHBondContact OD1-OG 3.48Å; N32-D35 PolarHBondContact ND2-OD1 2.89Å; N32-Q117 PolarHBondContact OD1-NE2 3.24Å; N32-Q117 PolarHBondContact OD1-OE1 3.02Å
33	I	83.2	Confident	85.9	Confident	7 Å²	7	57.8 Å²	57.8	4%	0.036	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-66	-28.6	178.7	-54.1	168.4	0	0	0	111.6	D35 V83 I106 K108 L115 Q117	I33-D35 VanDerWaalsContact C-N 3.26Å; I33-D35 PolarHBondContact O-N 3.06Å; I33-V83 HydrophobicContact CG2-CG1 3.83Å; I33-V83 HydrophobicContact CG2-CG2 4.23Å; I33-I106 HydrophobicContact CB-CD1 4.47Å; I33-I106 HydrophobicContact CG2-CD1 4.1Å; I33-K108 HydrophobicContact CB-CB 4.33Å; I33-K108 HydrophobicContact CD1-CB 4.22Å; I33-K108 HydrophobicContact CG1-CB 4.19Å; I33-K108 HydrophobicContact CG2-CB 3.25Å; I33-K108 HydrophobicContact CG2-CD 3.79Å; I33-K108 HydrophobicContact CG2-CG 4.16Å; I33-L115 VanDerWaalsContact CD1-C 3.44Å; I33-L115 HydrophobicContact CD1-CB 3.2Å; I33-L115 HydrophobicContact CD1-CD1 4.41Å; I33-L115 HydrophobicContact CD1-CG 4.44Å; I33-L115 WeakPolarHBondContact CD1-O 3.49Å; I33-L115 HydrophobicContact CG1-CB 3.82Å; I33-L115 HydrophobicContact CG1-CD1 4.11Å; I33-Q117 HydrophobicContact CD1-CB 4.13Å
34	S	83	Confident	86.2	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-80.6	-1.5	-166	73.6	0	0	0	0	115.3	N32 S36 L37 R39 Q117	N32-S34 PolarHBondContact O-N 2.93Å; N32-S34 WeakPolarHBondContact OD1-CB 3.29Å; N32-S34 PolarHBondContact OD1-N 3.39Å; N32-S34 PolarHBondContact OD1-OG 3.48Å; S34-S36 PolarHBondContact O-N 3.01Å; S34-L37 PolarHBondContact O-N 2.94Å; S34-R39 VanDerWaalsContact CB-NH1 3.31Å; S34-R39 PolarHBondContact O-NH1 3.31Å; S34-R39 PolarHBondContact OG-NH1 2.98Å; S34-R39 PolarHBondContact OG-NH2 2.76Å; S34-Q117 VanDerWaalsContact N-OE1 3.16Å
35	D	84.6	Confident	86.5	Confident	116 Å²	116	57.2 Å²	57.2	62%	0.62	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-63	-24.2	-176.9	-68.2	-15	0	0	0	113	N32 I33 L37	N32-D35 PolarHBondContact ND2-OD1 2.89Å; I33-D35 VanDerWaalsContact C-N 3.26Å; I33-D35 PolarHBondContact O-N 3.06Å; D35-L37 PolarHBondContact O-N 3.34Å
36	S	83.7	Confident	86.8	Confident	36 Å²	36	55.1 Å²	55.1	25%	0.252	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-75.9	-8	175.1	62.4	0	0	0	0	114.4	S34	S34-S36 PolarHBondContact O-N 3.01Å
37	L	87.9	Confident	86.7	Confident	8 Å²	8	60.7 Å²	60.7	4%	0.042	30%	0.304	C	S	.	.	S	Bend	trans	-110.6	132.2	-176.3	-64.7	176.1	0	0	0	111.2	S34 D35 L80 L104 I106	S34-L37 PolarHBondContact O-N 2.94Å; D35-L37 PolarHBondContact O-N 3.34Å; L37-L80 HydrophobicContact CD2-CD1 4.41Å; L37-L104 HydrophobicContact CD1-CD1 4.49Å; L37-I106 HydrophobicContact CD1-CD1 3.86Å; L37-I106 HydrophobicContact CD1-CG2 4.09Å
38	P	90.2	Very high	86.6	Confident	50 Å²	50	65.3 Å²	65.3	33%	0.325	33%	0.329	S	S	.	.			trans	-66.9	141.9	175.6	29.6	-34.7	0	0	0	110.8	L77	P38-L77 HydrophobicContact CG-CD2 3.69Å
39	R	91.1	Very high	86.9	Confident	113 Å²	113	59.9 Å²	59.9	43%	0.426	32%	0.315	S	S	.	.	S	Bend	trans	-76.6	-28.1	175	-59.6	-58.5	-171.7	-133.8	3.4	112.8	S34 V119 E122	S34-R39 VanDerWaalsContact CB-NH1 3.31Å; S34-R39 PolarHBondContact O-NH1 3.31Å; S34-R39 PolarHBondContact OG-NH1 2.98Å; S34-R39 PolarHBondContact OG-NH2 2.76Å; R39-V119 VanDerWaalsContact NH1-CG1 3.27Å; R39-E122 PolarHBondContact O-N 2.97Å
40	Q	91.7	Very high	87.1	Confident	122 Å²	122	62 Å²	62	57%	0.57	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.1	142.7	-179.5	-73.8	-178.8	-9	0	0	110.8	E122	Q40-E122 CarbonylContact C-O 3.54Å; Q40-E122 VanDerWaalsContact CA-O 3.25Å; Q40-E122 WeakPolarHBondContact CA-O 3.26Å; Q40-E122 HydrophobicContact CG-CB 4.17Å; Q40-E122 PolarHBondContact NE2-OE2 2.57Å
41	S	91.8	Very high	87.5	Confident	20 Å²	20	59.5 Å²	59.5	14%	0.14	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	171.6	172.4	63.1	0	0	0	0	110.5	E122 Y123 V124	S41-E122 PolarHBondContact N-O 3.42Å; S41-Y123 CarbonylContact O-C 3.52Å; S41-Y123 VanDerWaalsContact O-CA 3.26Å; S41-Y123 WeakPolarHBondContact O-CA 3.43Å; S41-Y123 WeakPolarHBondContact OG-CD1 3.47Å; S41-Y123 WeakPolarHBondContact OG-CE1 3.41Å; S41-V124 PolarHBondContact O-N 3.06Å
42	Q	91.6	Very high	88	Confident	116 Å²	116	56.4 Å²	56.4	54%	0.542	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	136	-175	-68.4	176.4	-7	0	0	110.4	R76 V124	Q42-R76 WeakPolarHBondContact O-CD 3.41Å; Q42-R76 VanDerWaalsContact O-CZ 3.32Å; Q42-R76 PolarHBondContact O-NE 2.96Å; Q42-R76 PolarHBondContact O-NH1 3.39Å; Q42-V124 CarbonylContact C-O 3.55Å; Q42-V124 WeakPolarHBondContact CA-O 3.44Å
43	L	91.6	Very high	88.5	Confident	2 Å²	2	55.2 Å²	55.2	1%	0.01	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	143.8	166.7	-72.6	171.6	0	0	0	109.1	L69 I72 Y123 V124 I125 H126	L43-L69 HydrophobicContact CD1-CD1 4.47Å; L43-I72 HydrophobicContact CD2-CG2 4.32Å; L43-Y123 HydrophobicContact CD1-CD1 3.92Å; L43-Y123 HydrophobicContact CD1-CG 3.88Å; L43-Y123 HydrophobicContact CD2-CD1 4.05Å; L43-Y123 HydrophobicContact CG-CD1 3.67Å; L43-Y123 HydrophobicContact CG-CG 4.08Å; L43-V124 PolarHBondContact N-O 3.46Å; L43-I125 HydrophobicContact CB-CG1 4.44Å; L43-I125 CarbonylContact O-C 2.94Å; L43-I125 WeakPolarHBondContact O-CA 3.33Å; L43-H126 PolarHBondContact O-N 2.99Å
44	Q	92.1	Very high	88.8	Confident	59 Å²	59	55.8 Å²	55.8	28%	0.276	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	131.1	174.9	-72.4	160.3	-43.7	0	0	109.3	V52 F53 W59 H126	Q44-V52 WeakPolarHBondContact O-CA 3.17Å; Q44-F53 HydrophobicContact CB-CB 3.8Å; Q44-F53 PolarHBondContact O-N 2.84Å; Q44-W59 HydrophobicContact CB-CH2 4.46Å; Q44-H126 CarbonylContact C-O 3.54Å; Q44-H126 VanDerWaalsContact CA-O 3.27Å; Q44-H126 WeakPolarHBondContact CA-O 3.3Å; Q44-H126 HydrophobicContact CG-CB 4.41Å
45	T	91.5	Very high	88.7	Confident	19 Å²	19	58.2 Å²	58.2	12%	0.117	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	144.4	175.3	59.6	0	0	0	0	110.3	K51 V52 I125 H126 T127 T128	T45-K51 CarbonylContact C-O 3.52Å; T45-K51 WeakPolarHBondContact CA-O 3.42Å; T45-V52 HydrophobicContact CG2-CG2 4.15Å; T45-I125 HydrophobicContact CG2-CG2 3.75Å; T45-I125 WeakPolarHBondContact OG1-CG2 3.3Å; T45-H126 PolarHBondContact N-O 3.17Å; T45-T127 WeakPolarHBondContact O-CA 3.27Å; T45-T128 PolarHBondContact O-N 3.3Å; T45-T128 VanDerWaalsContact O-O 3.13Å
46	C	90.4	Very high	88.5	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	128.7	178.7	-176.9	0	0	0	0	110.4	L48 C49 Q50 K51 W59 T128 C130	C46-L48 VanDerWaalsContact C-N 3.31Å; C46-L48 PolarHBondContact O-N 3.3Å; C46-C49 WeakPolarHBondContact CB-SG 3.45Å; C46-C49 PolarHBondContact SG-SG 3.27Å; C46-Q50 VanDerWaalsContact O-CA 3.23Å; C46-Q50 WeakPolarHBondContact O-CA 3.24Å; C46-Q50 PolarHBondContact O-N 3.48Å; C46-K51 PolarHBondContact N-O 2.84Å; C46-W59 HydrophobicContact CB-CE3 4.21Å; C46-W59 HydrophobicContact CB-CZ3 3.92Å; C46-T128 CarbonylContact C-O 3.54Å; C46-T128 WeakPolarHBondContact CA-O 2.99Å; C46-C130 HydrophobicContact CB-CB 4.12Å; C46-C130 PolarHBondContact SG-N 2.87Å
47	K	85.3	Confident	88.5	Confident	137 Å²	137	63 Å²	63	60%	0.596	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-37.4	-179.6	-172.8	-177.7	176.3	-171.3	0	113.4	T128 L129	K47-T128 PolarHBondContact N-O 2.79Å; K47-L129 HydrophobicContact CB-CD2 4.04Å
48	L	82.2	Confident	88.5	Confident	98 Å²	98	65.5 Å²	65.5	51%	0.513	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-51.3	-174.2	-62	-178.3	0	0	0	112.5	C46 L129 C133	C46-L48 VanDerWaalsContact C-N 3.31Å; C46-L48 PolarHBondContact O-N 3.3Å; L48-L129 HydrophobicContact CD1-CD2 4.18Å; L48-L129 HydrophobicContact CG-CD2 3.99Å; L48-C133 HydrophobicContact CB-CB 4.17Å; L48-C133 HydrophobicContact CD1-CB 3.98Å; L48-C133 HydrophobicContact CG-CB 4.41Å
49	C	87	Confident	88.5	Confident	51 Å²	51	65.4 Å²	65.4	35%	0.345	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-2.1	-174.6	69.8	0	0	0	0	114.7	C46 K51 C133	C46-C49 WeakPolarHBondContact CB-SG 3.45Å; C46-C49 PolarHBondContact SG-SG 3.27Å; C49-K51 HydrophobicContact CB-CG 4.46Å; C49-K51 PolarHBondContact O-N 3.29Å; C49-K51 VanDerWaalsContact SG-CG 3.59Å; C49-C133 VanDerWaalsContact SG-SG 3.66Å
50	Q	85.6	Confident	88.4	Confident	125 Å²	125	61.8 Å²	61.8	58%	0.584	33%	0.328	S	S	*	.			trans	57.4	11.2	-179.5	-57.8	-67.4	-14.5	0	0	115.4	C46	C46-Q50 VanDerWaalsContact O-CA 3.23Å; C46-Q50 WeakPolarHBondContact O-CA 3.24Å; C46-Q50 PolarHBondContact O-N 3.48Å
51	K	90.6	Very high	88.3	Confident	44 Å²	44	61.2 Å²	61.2	19%	0.191	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-62.4	148.4	170.6	-69.4	179.2	-175.8	175.7	0	110.5	T45 C46 C49 W59 A60 V61 E132	T45-K51 CarbonylContact C-O 3.52Å; T45-K51 WeakPolarHBondContact CA-O 3.42Å; C46-K51 PolarHBondContact N-O 2.84Å; C49-K51 HydrophobicContact CB-CG 4.46Å; C49-K51 PolarHBondContact O-N 3.29Å; C49-K51 VanDerWaalsContact SG-CG 3.59Å; K51-W59 HydrophobicContact CB-CB 4.14Å; K51-W59 HydrophobicContact CB-CE3 4.25Å; K51-W59 HydrophobicContact CD-CB 4.15Å; K51-W59 WeakPolarHBondContact O-CZ3 3.47Å; K51-A60 CarbonylContact C-O 3.51Å; K51-A60 WeakPolarHBondContact CA-O 3.3Å; K51-V61 HydrophobicContact CD-CG2 4.46Å; K51-V61 HydrophobicContact CG-CG2 3.93Å; K51-E132 IonicContact NZ-OE1 3.65Å; K51-E132 IonicContact NZ-OE2 3.38Å; K51-E132 PolarHBondContact NZ-OE2 3.14Å
52	V	92	Very high	88.1	Confident	5 Å²	5	60.9 Å²	60.9	3%	0.03	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	136.9	178.6	-171.2	0	0	0	0	109.7	Q44 T45 C54 A60 A62 L69 I72	Q44-V52 WeakPolarHBondContact O-CA 3.17Å; T45-V52 HydrophobicContact CG2-CG2 4.15Å; V52-C54 PolarHBondContact O-N 2.63Å; V52-A60 PolarHBondContact N-O 2.9Å; V52-A60 PolarHBondContact O-N 3.07Å; V52-A62 HydrophobicContact CG2-CB 4.02Å; V52-L69 HydrophobicContact CG1-CD1 4.15Å; V52-L69 HydrophobicContact CG2-CD1 4.09Å; V52-I72 HydrophobicContact CB-CD1 4.18Å; V52-I72 HydrophobicContact CG1-CD1 4.3Å; V52-I72 HydrophobicContact CG1-CG2 4.24Å
53	F	92.1	Very high	87.9	Confident	32 Å²	32	63.3 Å²	63.3	14%	0.14	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	122.2	177.2	-174	-114.4	0	0	0	111.1	Q44 P56 S58 W59 R76	Q44-F53 HydrophobicContact CB-CB 3.8Å; Q44-F53 PolarHBondContact O-N 2.84Å; F53-P56 VanDerWaalsContact CZ-O 3.27Å; F53-P56 WeakPolarHBondContact CZ-O 3.45Å; F53-S58 VanDerWaalsContact CD2-O 3.31Å; F53-S58 WeakPolarHBondContact CD2-O 3.3Å; F53-W59 HydrophobicContact CB-CD2 4.35Å; F53-W59 HydrophobicContact CB-CE3 4.1Å; F53-W59 HydrophobicContact CB-CH2 4.06Å; F53-W59 HydrophobicContact CB-CZ2 4.31Å; F53-W59 HydrophobicContact CB-CZ3 3.94Å; F53-W59 HydrophobicContact CD2-CD2 4.1Å; F53-W59 AromaticContact CD2-CE2 3.69Å; F53-W59 HydrophobicContact CD2-CG 4.5Å; F53-W59 AromaticContact CD2-CZ2 3.96Å; F53-W59 HydrophobicContact CD2-CZ2 3.96Å; F53-W59 AromaticContact CD2-NE1 3.84Å; F53-W59 HydrophobicContact CG-CZ2 4.49Å; F53-R76 PolarHBondContact O-NH2 2.78Å
54	C	88.6	Confident	87.5	Confident	18 Å²	18	69.3 Å²	69.3	12%	0.122	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	112.3	174.7	-168.7	0	0	0	0	108.9	V52 S58 I72	V52-C54 PolarHBondContact O-N 2.63Å; C54-S58 PolarHBondContact N-O 2.99Å; C54-S58 PolarHBondContact O-N 3.25Å; C54-S58 VanDerWaalsContact O-O 3.09Å; C54-S58 PolarHBondContact O-OG 3.24Å; C54-I72 HydrophobicContact CB-CG1 4.49Å
55	P	80.4	Confident	87.2	Confident	51 Å²	51	71.7 Å²	71.7	33%	0.331	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	144.6	175.2	-23	33.3	0	0	0	111.6
56	P	81.7	Confident	87.1	Confident	116 Å²	116	71.7 Å²	71.7	75%	0.753	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	cis	-83	-36.6	11.1	29.3	-33.2	0	0	0	115.3	F53	F53-P56 VanDerWaalsContact CZ-O 3.27Å; F53-P56 WeakPolarHBondContact CZ-O 3.45Å
57	N	82.9	Confident	87.1	Confident	138 Å²	138	80.6 Å²	80.6	74%	0.738	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-155	46.2	-174.5	-86.9	-15.3	0	0	0	112.2
58	S	88.3	Confident	87.4	Confident	59 Å²	59	79.5 Å²	79.5	41%	0.413	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	162	178	66.2	0	0	0	0	112.7	F53 C54	F53-S58 VanDerWaalsContact CD2-O 3.31Å; F53-S58 WeakPolarHBondContact CD2-O 3.3Å; C54-S58 PolarHBondContact N-O 2.99Å; C54-S58 PolarHBondContact O-N 3.25Å; C54-S58 VanDerWaalsContact O-O 3.09Å; C54-S58 PolarHBondContact O-OG 3.24Å
59	W	90.5	Very high	87.8	Confident	49 Å²	49	75.1 Å²	75.1	19%	0.186	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	128.5	179	-68.1	87.9	0	0	0	109.3	Q44 C46 K51 F53 C130	Q44-W59 HydrophobicContact CB-CH2 4.46Å; C46-W59 HydrophobicContact CB-CE3 4.21Å; C46-W59 HydrophobicContact CB-CZ3 3.92Å; K51-W59 HydrophobicContact CB-CB 4.14Å; K51-W59 HydrophobicContact CB-CE3 4.25Å; K51-W59 HydrophobicContact CD-CB 4.15Å; K51-W59 WeakPolarHBondContact O-CZ3 3.47Å; F53-W59 HydrophobicContact CB-CD2 4.35Å; F53-W59 HydrophobicContact CB-CE3 4.1Å; F53-W59 HydrophobicContact CB-CH2 4.06Å; F53-W59 HydrophobicContact CB-CZ2 4.31Å; F53-W59 HydrophobicContact CB-CZ3 3.94Å; F53-W59 HydrophobicContact CD2-CD2 4.1Å; F53-W59 AromaticContact CD2-CE2 3.69Å; F53-W59 HydrophobicContact CD2-CG 4.5Å; F53-W59 AromaticContact CD2-CZ2 3.96Å; F53-W59 HydrophobicContact CD2-CZ2 3.96Å; F53-W59 AromaticContact CD2-NE1 3.84Å; F53-W59 HydrophobicContact CG-CZ2 4.49Å; W59-C130 HydrophobicContact CB-CB 4.37Å; W59-C130 HydrophobicContact CD2-CB 3.3Å; W59-C130 VanDerWaalsContact CE2-CA 3.43Å; W59-C130 HydrophobicContact CE3-CB 3.82Å; W59-C130 HydrophobicContact CG-CB 3.55Å; W59-C130 HydrophobicContact CH2-CB 4.26Å; W59-C130 HydrophobicContact CZ2-CB 3.81Å; W59-C130 HydrophobicContact CZ3-CB 4.28Å
60	A	89.1	Confident	88.1	Confident	36 Å²	36	74.2 Å²	74.2	30%	0.298	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	145	-177.7	0	0	0	0	0	111.2	K51 V52 A62 I72	K51-A60 CarbonylContact C-O 3.51Å; K51-A60 WeakPolarHBondContact CA-O 3.3Å; V52-A60 PolarHBondContact N-O 2.9Å; V52-A60 PolarHBondContact O-N 3.07Å; A60-A62 PolarHBondContact O-N 2.93Å; A60-I72 HydrophobicContact CB-CD1 4.23Å
61	V	88.9	Confident	88.4	Confident	111 Å²	111	69.7 Å²	69.7	67%	0.673	38%	0.375	S	S	*	.			trans	-74.8	117.4	169.8	-178.6	0	0	0	0	107.5	K51	K51-V61 HydrophobicContact CD-CG2 4.46Å; K51-V61 HydrophobicContact CG-CG2 3.93Å
62	A	87.4	Confident	88.4	Confident	13 Å²	13	68 Å²	68	11%	0.107	37%	0.368	C	S	.	.			trans	-140.9	123	175.4	0	0	0	0	0	108.7	V52 A60 E68 L69 I72	V52-A62 HydrophobicContact CG2-CB 4.02Å; A60-A62 PolarHBondContact O-N 2.93Å; A62-E68 HydrophobicContact CB-CB 4.12Å; A62-L69 HydrophobicContact CB-CB 4.06Å; A62-L69 HydrophobicContact CB-CD1 4.42Å; A62-I72 HydrophobicContact CB-CD1 4.09Å
63	K	86.9	Confident	88.3	Confident	167 Å²	167	67.8 Å²	67.8	73%	0.726	37%	0.367	S	S	*	.			trans	-74.2	156.3	175.9	-66.9	-177.7	-179.6	179.7	0	109.4	E65 S66	K63-E65 PolarHBondContact O-N 3.2Å; K63-S66 PolarHBondContact N-OG 3.36Å; K63-S66 VanDerWaalsContact O-CB 3.24Å; K63-S66 WeakPolarHBondContact O-CB 3.2Å; K63-S66 PolarHBondContact O-N 3.16Å; K63-S66 PolarHBondContact O-OG 2.87Å
64	L	83.8	Confident	88.3	Confident	127 Å²	127	67.7 Å²	67.7	67%	0.665	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	140.1	169.9	-67.4	176.7	0	0	0	109.6	S66 L69 V100	L64-S66 PolarHBondContact O-N 2.89Å; L64-S66 VanDerWaalsContact O-N 3.12Å; L64-L69 HydrophobicContact CD2-CD2 4.28Å; L64-V100 HydrophobicContact CD2-CG2 4.38Å
65	E	85.1	Confident	88.3	Confident	110 Å²	110	74.6 Å²	74.6	51%	0.514	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.3	15.4	-177.9	-53.9	-176.7	164.3	0	0	115.5	K63 F90	K63-E65 PolarHBondContact O-N 3.2Å; E65-F90 HydrophobicContact CB-CD2 4.03Å; E65-F90 HydrophobicContact CB-CE2 4.5Å; E65-F90 HydrophobicContact CB-CG 4.37Å; E65-F90 HydrophobicContact CG-CB 4.24Å; E65-F90 HydrophobicContact CG-CD2 4.44Å; E65-F90 HydrophobicContact CG-CG 4.27Å
66	S	90.7	Very high	88.6	Confident	19 Å²	19	74.5 Å²	74.5	13%	0.133	39%	0.388	C	S	.	.			trans	-82.3	159.8	178.3	94	0	0	0	0	112.9	K63 L64 E68 L69 L70 F90	K63-S66 PolarHBondContact N-OG 3.36Å; K63-S66 VanDerWaalsContact O-CB 3.24Å; K63-S66 WeakPolarHBondContact O-CB 3.2Å; K63-S66 PolarHBondContact O-N 3.16Å; K63-S66 PolarHBondContact O-OG 2.87Å; L64-S66 PolarHBondContact O-N 2.89Å; L64-S66 VanDerWaalsContact O-N 3.12Å; S66-E68 WeakPolarHBondContact CB-OE2 3.21Å; S66-E68 PolarHBondContact O-N 3.29Å; S66-E68 PolarHBondContact OG-N 2.98Å; S66-E68 PolarHBondContact OG-OE2 2.86Å; S66-L69 PolarHBondContact O-N 3.49Å; S66-L69 PolarHBondContact OG-N 2.89Å; S66-L70 PolarHBondContact O-N 2.77Å; S66-L70 VanDerWaalsContact O-N 3.1Å; S66-F90 WeakPolarHBondContact O-CE2 3.37Å
67	K	90.1	Very high	88.9	Confident	186 Å²	186	69.4 Å²	69.4	81%	0.809	36%	0.355	S	S	*	.	H	α-helix	trans	-63.3	-34.1	177.6	-67.6	-177.3	179.8	178.4	0	111.7	L70 G71	K67-L70 PolarHBondContact O-N 2.85Å; K67-G71 PolarHBondContact O-N 2.84Å
68	E	90.8	Very high	88.9	Confident	115 Å²	115	69.4 Å²	69.4	54%	0.537	36%	0.355	S	S	.	.	H	α-helix	trans	-66	-44.5	178	-55.4	72.2	-156.7	0	0	110.4	A62 S66 L70 G71 I72	A62-E68 HydrophobicContact CB-CB 4.12Å; S66-E68 WeakPolarHBondContact CB-OE2 3.21Å; S66-E68 PolarHBondContact O-N 3.29Å; S66-E68 PolarHBondContact OG-N 2.98Å; S66-E68 PolarHBondContact OG-OE2 2.86Å; E68-L70 VanDerWaalsContact C-N 3.33Å; E68-L70 PolarHBondContact O-N 2.76Å; E68-G71 PolarHBondContact O-N 2.76Å; E68-I72 WeakPolarHBondContact O-CG1 3.3Å; E68-I72 PolarHBondContact O-N 2.88Å; E68-I72 VanDerWaalsContact O-N 3.07Å
69	L	91.9	Very high	88.7	Confident	5 Å²	5	67.6 Å²	67.6	3%	0.026	35%	0.345	C	S	.	.	H	α-helix	trans	-61.6	-43.4	175.4	-176	64.9	0	0	0	111.1	L43 V52 A62 L64 S66 G71 I72 C73 F90	L43-L69 HydrophobicContact CD1-CD1 4.47Å; V52-L69 HydrophobicContact CG1-CD1 4.15Å; V52-L69 HydrophobicContact CG2-CD1 4.09Å; A62-L69 HydrophobicContact CB-CB 4.06Å; A62-L69 HydrophobicContact CB-CD1 4.42Å; L64-L69 HydrophobicContact CD2-CD2 4.28Å; S66-L69 PolarHBondContact O-N 3.49Å; S66-L69 PolarHBondContact OG-N 2.89Å; L69-G71 VanDerWaalsContact C-N 3.29Å; L69-G71 PolarHBondContact O-N 2.86Å; L69-I72 PolarHBondContact O-N 2.93Å; L69-I72 VanDerWaalsContact O-N 3.14Å; L69-C73 PolarHBondContact O-N 3.33Å; L69-C73 PolarHBondContact O-SG 2.82Å; L69-F90 HydrophobicContact CB-CZ 4.23Å; L69-F90 HydrophobicContact CD2-CE1 4.26Å; L69-F90 HydrophobicContact CD2-CZ 4.14Å; L69-F90 HydrophobicContact CG-CE1 4.5Å; L69-F90 HydrophobicContact CG-CZ 4.16Å
70	L	92.5	Very high	88.5	Confident	32 Å²	32	67 Å²	67	17%	0.168	35%	0.346	C	S	.	.	H	α-helix	trans	-59.4	-43.1	177.2	-169.6	67.6	0	0	0	111.1	S66 K67 E68 I72 C73 L74 A88 F90 V102	S66-L70 PolarHBondContact O-N 2.77Å; S66-L70 VanDerWaalsContact O-N 3.1Å; K67-L70 PolarHBondContact O-N 2.85Å; E68-L70 VanDerWaalsContact C-N 3.33Å; E68-L70 PolarHBondContact O-N 2.76Å; L70-I72 VanDerWaalsContact C-N 3.34Å; L70-I72 PolarHBondContact O-N 3.24Å; L70-C73 WeakPolarHBondContact O-CB 3.38Å; L70-C73 PolarHBondContact O-N 2.82Å; L70-L74 HydrophobicContact CG-CD1 4.28Å; L70-L74 VanDerWaalsContact O-CG 3.3Å; L70-L74 WeakPolarHBondContact O-CG 3.26Å; L70-L74 PolarHBondContact O-N 2.83Å; L70-A88 HydrophobicContact CD1-CB 4.14Å; L70-A88 HydrophobicContact CD2-CB 4.13Å; L70-A88 HydrophobicContact CG-CB 4.44Å; L70-F90 HydrophobicContact CB-CE2 3.82Å; L70-F90 HydrophobicContact CB-CZ 3.74Å; L70-F90 HydrophobicContact CD1-CE1 4.23Å; L70-F90 HydrophobicContact CD1-CE2 4.01Å; L70-F90 HydrophobicContact CD1-CZ 3.83Å; L70-F90 HydrophobicContact CG-CE2 4.4Å; L70-F90 HydrophobicContact CG-CZ 4.4Å; L70-V102 HydrophobicContact CD1-CG1 3.71Å; L70-V102 HydrophobicContact CD1-CG2 4.44Å
71	G	91.2	Very high	88.3	Confident	30 Å²	30	75.7 Å²	75.7	31%	0.309	38%	0.377	S	S	.	.	H	α-helix	trans	-59.6	-40.8	175	0	0	0	0	0	113.3	K67 E68 L69 K75	K67-G71 PolarHBondContact O-N 2.84Å; E68-G71 PolarHBondContact O-N 2.76Å; L69-G71 VanDerWaalsContact C-N 3.29Å; L69-G71 PolarHBondContact O-N 2.86Å; G71-K75 WeakPolarHBondContact O-CG 3.25Å; G71-K75 PolarHBondContact O-N 2.89Å; G71-K75 VanDerWaalsContact O-N 3.09Å
72	I	90.6	Very high	88.3	Confident	10 Å²	10	77.7 Å²	77.7	5%	0.051	38%	0.376	C	S	.	.	H	α-helix	trans	-66.1	-45.1	176.2	-64.9	166.9	0	0	0	110.8	L43 V52 C54 A60 A62 E68 L69 L70 L74 K75 R76	L43-I72 HydrophobicContact CD2-CG2 4.32Å; V52-I72 HydrophobicContact CB-CD1 4.18Å; V52-I72 HydrophobicContact CG1-CD1 4.3Å; V52-I72 HydrophobicContact CG1-CG2 4.24Å; C54-I72 HydrophobicContact CB-CG1 4.49Å; A60-I72 HydrophobicContact CB-CD1 4.23Å; A62-I72 HydrophobicContact CB-CD1 4.09Å; E68-I72 WeakPolarHBondContact O-CG1 3.3Å; E68-I72 PolarHBondContact O-N 2.88Å; E68-I72 VanDerWaalsContact O-N 3.07Å; L69-I72 PolarHBondContact O-N 2.93Å; L69-I72 VanDerWaalsContact O-N 3.14Å; L70-I72 VanDerWaalsContact C-N 3.34Å; L70-I72 PolarHBondContact O-N 3.24Å; I72-L74 PolarHBondContact O-N 2.97Å; I72-K75 PolarHBondContact O-N 3.27Å; I72-R76 PolarHBondContact O-N 2.79Å
73	C	91.8	Very high	88.3	Confident	0 Å²	0	77.7 Å²	77.7	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-56.2	-51.3	176.2	-70.4	0	0	0	0	111.3	L69 L70 K75 R76 Y123	L69-C73 PolarHBondContact O-N 3.33Å; L69-C73 PolarHBondContact O-SG 2.82Å; L70-C73 WeakPolarHBondContact O-CB 3.38Å; L70-C73 PolarHBondContact O-N 2.82Å; C73-K75 PolarHBondContact O-N 2.7Å; C73-R76 WeakPolarHBondContact O-CB 2.91Å; C73-R76 PolarHBondContact O-N 3.4Å; C73-Y123 HydrophobicContact CB-CD1 4.45Å; C73-Y123 HydrophobicContact CB-CE1 3.75Å; C73-Y123 HydrophobicContact CB-CE2 3.96Å; C73-Y123 VanDerWaalsContact CB-CZ 3.5Å; C73-Y123 PolarHBondContact O-OH 2.78Å; C73-Y123 VanDerWaalsContact O-OH 3.05Å
74	L	91.4	Very high	88.5	Confident	30 Å²	30	78 Å²	78	16%	0.157	37%	0.371	C	S	.	.	H	α-helix	trans	-63.8	-40.6	-178.6	-67.9	174.7	0	0	0	112.9	L70 I72 R76 L77 L80 L85 A88 L104	L70-L74 HydrophobicContact CG-CD1 4.28Å; L70-L74 VanDerWaalsContact O-CG 3.3Å; L70-L74 WeakPolarHBondContact O-CG 3.26Å; L70-L74 PolarHBondContact O-N 2.83Å; I72-L74 PolarHBondContact O-N 2.97Å; L74-R76 PolarHBondContact O-N 3.37Å; L74-L77 HydrophobicContact CD2-CD1 4.41Å; L74-L77 PolarHBondContact O-N 2.87Å; L74-L80 HydrophobicContact CB-CD2 4.09Å; L74-L80 HydrophobicContact CD2-CD2 4.13Å; L74-L85 HydrophobicContact CD1-CD2 3.76Å; L74-L85 HydrophobicContact CD2-CD2 3.85Å; L74-L85 HydrophobicContact CG-CD2 4.45Å; L74-A88 HydrophobicContact CD1-CB 4.42Å; L74-A88 HydrophobicContact CD2-CB 4.41Å; L74-L104 HydrophobicContact CD2-CD2 3.61Å
75	K	88.7	Confident	88.9	Confident	163 Å²	163	74.7 Å²	74.7	71%	0.709	35%	0.354	S	S	*	.	H	α-helix	trans	-62.6	-26.6	176.8	-79	179.7	-179.2	179.9	0	113.1	G71 I72 C73 L77	G71-K75 WeakPolarHBondContact O-CG 3.25Å; G71-K75 PolarHBondContact O-N 2.89Å; G71-K75 VanDerWaalsContact O-N 3.09Å; I72-K75 PolarHBondContact O-N 3.27Å; C73-K75 PolarHBondContact O-N 2.7Å; K75-L77 VanDerWaalsContact C-N 3.34Å
76	R	87.3	Confident	89.2	Confident	48 Å²	48	73.2 Å²	73.2	18%	0.181	35%	0.353	C	S	.	.	H	α-helix	trans	-81.7	-13.8	-178.5	-161.7	176.3	-77.1	-125.4	-1	113	Q42 F53 I72 C73 L74 N78	Q42-R76 WeakPolarHBondContact O-CD 3.41Å; Q42-R76 VanDerWaalsContact O-CZ 3.32Å; Q42-R76 PolarHBondContact O-NE 2.96Å; Q42-R76 PolarHBondContact O-NH1 3.39Å; F53-R76 PolarHBondContact O-NH2 2.78Å; I72-R76 PolarHBondContact O-N 2.79Å; C73-R76 WeakPolarHBondContact O-CB 2.91Å; C73-R76 PolarHBondContact O-N 3.4Å; L74-R76 PolarHBondContact O-N 3.37Å; R76-N78 PolarHBondContact O-N 2.76Å
77	L	87.3	Confident	89.3	Confident	9 Å²	9	74.5 Å²	74.5	5%	0.047	36%	0.358	C	S	.	.			trans	-79.1	105.7	179.3	-68.9	174.9	0	0	0	112	P38 L74 K75 G79 L80 L104 V121 Y123	P38-L77 HydrophobicContact CG-CD2 3.69Å; L74-L77 HydrophobicContact CD2-CD1 4.41Å; L74-L77 PolarHBondContact O-N 2.87Å; K75-L77 VanDerWaalsContact C-N 3.34Å; L77-G79 PolarHBondContact O-N 2.85Å; L77-L80 HydrophobicContact CB-CB 4.46Å; L77-L104 HydrophobicContact CD1-CD1 3.6Å; L77-V121 HydrophobicContact CD1-CG2 4.42Å; L77-V121 HydrophobicContact CD2-CG1 3.98Å; L77-V121 HydrophobicContact CD2-CG2 4.46Å; L77-Y123 WeakPolarHBondContact CD1-OH 3.45Å; L77-Y123 WeakPolarHBondContact CG-OH 2.87Å
78	N	83.1	Confident	89.5	Confident	139 Å²	139	66.5 Å²	66.5	74%	0.743	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	115.6	167.3	-63.9	-17.9	0	0	0	108.8	R76	R76-N78 PolarHBondContact O-N 2.76Å
79	G	84.1	Confident	89.7	Confident	21 Å²	21	66.5 Å²	66.5	22%	0.216	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	117.9	-11.6	177.4	0	0	0	0	0	115.5	L77 K81 K82	L77-G79 PolarHBondContact O-N 2.85Å; G79-K81 PolarHBondContact O-N 2.82Å; G79-K82 WeakPolarHBondContact O-CB 3.38Å; G79-K82 PolarHBondContact O-N 3.45Å
80	L	85.3	Confident	89.8	Confident	36 Å²	36	68.4 Å²	68.4	19%	0.188	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-60	-23.4	178.8	-163.4	68.1	0	0	0	113	L37 L74 L77 K82 V83 L85	L37-L80 HydrophobicContact CD2-CD1 4.41Å; L74-L80 HydrophobicContact CB-CD2 4.09Å; L74-L80 HydrophobicContact CD2-CD2 4.13Å; L77-L80 HydrophobicContact CB-CB 4.46Å; L80-K82 VanDerWaalsContact C-N 3.26Å; L80-K82 PolarHBondContact O-N 2.74Å; L80-V83 PolarHBondContact O-N 2.82Å; L80-L85 HydrophobicContact CD1-CB 4.36Å; L80-L85 HydrophobicContact CD1-CD1 4.35Å; L80-L85 HydrophobicContact CD2-CD2 4.48Å
81	K	85.8	Confident	89.8	Confident	218 Å²	218	69.9 Å²	69.9	95%	0.948	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-67.4	-21.1	174.1	-63.7	-177.4	-179.9	-179.4	0	114.1	G79 V83	G79-K81 PolarHBondContact O-N 2.82Å; K81-V83 VanDerWaalsContact C-N 3.34Å
82	K	87.6	Confident	89.7	Confident	153 Å²	153	76.7 Å²	76.7	67%	0.665	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-86.1	-7.9	-177	-62	-177.5	178.2	-178.9	0	113	G79 L80	G79-K82 WeakPolarHBondContact O-CB 3.38Å; G79-K82 PolarHBondContact O-N 3.45Å; L80-K82 VanDerWaalsContact C-N 3.26Å; L80-K82 PolarHBondContact O-N 2.74Å
83	V	89.1	Confident	89.6	Confident	13 Å²	13	77.6 Å²	77.6	8%	0.079	36%	0.363	C	S	.	.	S	Bend	trans	-139.4	145.8	-173.1	-167.5	0	0	0	0	109.1	I33 L80 K81 I106 Q107 K108	I33-V83 HydrophobicContact CG2-CG1 3.83Å; I33-V83 HydrophobicContact CG2-CG2 4.23Å; L80-V83 PolarHBondContact O-N 2.82Å; K81-V83 VanDerWaalsContact C-N 3.34Å; V83-I106 HydrophobicContact CG1-CB 3.64Å; V83-I106 HydrophobicContact CG1-CD1 4.22Å; V83-I106 HydrophobicContact CG1-CG1 4.24Å; V83-I106 HydrophobicContact CG1-CG2 4.39Å; V83-Q107 WeakPolarHBondContact CG1-O 3.27Å; V83-K108 HydrophobicContact CG1-CB 4.15Å
84	R	90.5	Very high	89.2	Confident	173 Å²	173	84 Å²	84	65%	0.653	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.7	121.5	173.9	-176.9	-177.4	-179.6	-174.6	2.7	109.6	I106 Q107	R84-I106 CarbonylContact O-C 3.57Å; R84-I106 WeakPolarHBondContact O-CA 3.31Å; R84-Q107 HydrophobicContact CB-CB 4.29Å; R84-Q107 WeakPolarHBondContact CB-O 3.43Å; R84-Q107 PolarHBondContact N-O 2.75Å; R84-Q107 PolarHBondContact O-N 3.09Å
85	L	91.3	Very high	88.3	Confident	58 Å²	58	87.7 Å²	87.7	30%	0.304	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	125	172.3	-174.9	68.7	0	0	0	109.7	L74 L80 A88 L104 I106	L74-L85 HydrophobicContact CD1-CD2 3.76Å; L74-L85 HydrophobicContact CD2-CD2 3.85Å; L74-L85 HydrophobicContact CG-CD2 4.45Å; L80-L85 HydrophobicContact CD1-CB 4.36Å; L80-L85 HydrophobicContact CD1-CD1 4.35Å; L80-L85 HydrophobicContact CD2-CD2 4.48Å; L85-A88 HydrophobicContact CD1-CB 4.47Å; L85-A88 HydrophobicContact CD2-CB 4.3Å; L85-L104 HydrophobicContact CD1-CB 4.2Å; L85-L104 HydrophobicContact CD1-CD2 4Å; L85-I106 HydrophobicContact CD1-CG2 4.15Å
86	V	92.3	Very high	87.7	Confident	79 Å²	79	88.4 Å²	88.4	48%	0.479	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	-46	179.5	179.9	0	0	0	0	111.1	K105 Q107 L116	V86-K105 HydrophobicContact CB-CB 4.19Å; V86-K105 WeakPolarHBondContact CB-O 3.29Å; V86-K105 PolarHBondContact N-O 2.96Å; V86-Q107 HydrophobicContact CG2-CB 3.68Å; V86-L116 HydrophobicContact CG2-CD2 3.93Å
87	D	93	Very high	87.7	Confident	47 Å²	47	88 Å²	88	25%	0.251	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	151.1	-177.6	-167.2	10.2	0	0	0	109.3	K89 K105	D87-K89 WeakPolarHBondContact OD2-CE 3.49Å; D87-K89 IonicContact OD2-NZ 2.79Å; D87-K89 PolarHBondContact OD2-NZ 3.35Å; D87-K105 HydrophobicContact CB-CB 3.98Å; D87-K105 HydrophobicContact CB-CD 3.99Å; D87-K105 HydrophobicContact CB-CG 4.15Å; D87-K105 PolarHBondContact N-O 3.44Å; D87-K105 PolarHBondContact O-N 3.09Å
88	A	93.8	Very high	87.7	Confident	17 Å²	17	94 Å²	94	14%	0.14	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	122.5	175.9	0	0	0	0	0	109.3	L70 L74 L85 L103 L104	L70-A88 HydrophobicContact CD1-CB 4.14Å; L70-A88 HydrophobicContact CD2-CB 4.13Å; L70-A88 HydrophobicContact CG-CB 4.44Å; L74-A88 HydrophobicContact CD1-CB 4.42Å; L74-A88 HydrophobicContact CD2-CB 4.41Å; L85-A88 HydrophobicContact CD1-CB 4.47Å; L85-A88 HydrophobicContact CD2-CB 4.3Å; A88-L103 CarbonylContact C-O 3.6Å; A88-L103 WeakPolarHBondContact CA-O 3.48Å; A88-L104 HydrophobicContact CB-CD2 3.68Å
89	K	94.1	Very high	88.2	Confident	115 Å²	115	92.6 Å²	92.6	50%	0.5	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	142.9	-175.7	-68.6	-179.7	174.8	162.7	0	111	D87 V102 L103	D87-K89 WeakPolarHBondContact OD2-CE 3.49Å; D87-K89 IonicContact OD2-NZ 2.79Å; D87-K89 PolarHBondContact OD2-NZ 3.35Å; K89-V102 CarbonylContact O-C 3.56Å; K89-V102 WeakPolarHBondContact O-CA 3.44Å; K89-L103 PolarHBondContact N-O 2.98Å; K89-L103 PolarHBondContact O-N 3.18Å
90	F	94.1	Very high	88.5	Confident	45 Å²	45	92.1 Å²	92.1	20%	0.197	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	138.2	169.9	-67.5	-72.8	0	0	0	110	E65 S66 L69 L70 V100 V102	E65-F90 HydrophobicContact CB-CD2 4.03Å; E65-F90 HydrophobicContact CB-CE2 4.5Å; E65-F90 HydrophobicContact CB-CG 4.37Å; E65-F90 HydrophobicContact CG-CB 4.24Å; E65-F90 HydrophobicContact CG-CD2 4.44Å; E65-F90 HydrophobicContact CG-CG 4.27Å; S66-F90 WeakPolarHBondContact O-CE2 3.37Å; L69-F90 HydrophobicContact CB-CZ 4.23Å; L69-F90 HydrophobicContact CD2-CE1 4.26Å; L69-F90 HydrophobicContact CD2-CZ 4.14Å; L69-F90 HydrophobicContact CG-CE1 4.5Å; L69-F90 HydrophobicContact CG-CZ 4.16Å; L70-F90 HydrophobicContact CB-CE2 3.82Å; L70-F90 HydrophobicContact CB-CZ 3.74Å; L70-F90 HydrophobicContact CD1-CE1 4.23Å; L70-F90 HydrophobicContact CD1-CE2 4.01Å; L70-F90 HydrophobicContact CD1-CZ 3.83Å; L70-F90 HydrophobicContact CG-CE2 4.4Å; L70-F90 HydrophobicContact CG-CZ 4.4Å; F90-V100 HydrophobicContact CD1-CG1 3.6Å; F90-V100 HydrophobicContact CE1-CG1 3.59Å; F90-V102 HydrophobicContact CD1-CG2 3.8Å; F90-V102 HydrophobicContact CE1-CG2 3.75Å
91	I	92.9	Very high	89	Confident	63 Å²	63	94.1 Å²	94.1	32%	0.323	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	127.6	165.1	-58.9	178.1	0	0	0	105.5	T93 K101 L103 V120	I91-T93 PolarHBondContact O-N 3.46Å; I91-K101 HydrophobicContact CB-CB 3.92Å; I91-K101 PolarHBondContact N-O 2.73Å; I91-L103 HydrophobicContact CD1-CB 3.99Å; I91-L103 HydrophobicContact CD1-CD1 4.47Å; I91-L103 HydrophobicContact CG1-CB 3.93Å; I91-V120 HydrophobicContact CD1-CB 4.38Å; I91-V120 HydrophobicContact CD1-CG1 3.79Å; I91-V120 HydrophobicContact CD1-CG2 3.64Å
92	W	89.3	Confident	89.4	Confident	174 Å²	174	83.8 Å²	83.8	66%	0.659	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-54.7	131.4	177.5	-175.5	85.8	0	0	0	110.4	E94	W92-E94 HydrophobicContact CH2-CB 4.35Å; W92-E94 HydrophobicContact CH2-CG 3.69Å; W92-E94 HydrophobicContact CZ3-CG 3.79Å
93	T	88.1	Confident	89.8	Confident	29 Å²	29	78.8 Å²	78.8	18%	0.178	37%	0.374	C	S	.	.			trans	-127.5	144.6	176	46.2	0	0	0	0	108.2	I91 R99 K101	I91-T93 PolarHBondContact O-N 3.46Å; T93-R99 PolarHBondContact OG1-O 3.26Å; T93-K101 HydrophobicContact CG2-CB 3.89Å; T93-K101 HydrophobicContact CG2-CD 3.87Å; T93-K101 HydrophobicContact CG2-CG 3.72Å
94	E	83.4	Confident	90	Very high	133 Å²	133	78.2 Å²	78.2	62%	0.621	37%	0.37	S	S	*	.			trans	-55.9	139.4	179.4	-69.2	164	-164.8	0	0	111.5	W92 H96 S97	W92-E94 HydrophobicContact CH2-CB 4.35Å; W92-E94 HydrophobicContact CH2-CG 3.69Å; W92-E94 HydrophobicContact CZ3-CG 3.79Å; E94-H96 PolarHBondContact O-N 3.18Å; E94-S97 VanDerWaalsContact O-CB 3.3Å; E94-S97 WeakPolarHBondContact O-CB 3.35Å; E94-S97 PolarHBondContact O-N 3.05Å; E94-S97 PolarHBondContact O-OG 3.3Å
95	P	73.8	Confident	90.2	Very high	108 Å²	108	74 Å²	74	70%	0.701	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-30.3	-173.7	-29.6	34.7	0	0	0	115.4
96	H	76.5	Confident	90.2	Very high	178 Å²	178	71.2 Å²	71.2	82%	0.824	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-2	-177	-62.6	-57.6	0	0	0	114.5	E94 K98	E94-H96 PolarHBondContact O-N 3.18Å; H96-K98 PolarHBondContact O-N 3.5Å; H96-K98 VanDerWaalsContact O-N 3.09Å
97	S	86.3	Confident	90.2	Very high	41 Å²	41	69.9 Å²	69.9	29%	0.287	33%	0.331	S	S	.	.	S	Bend	trans	-66.5	-14.5	-174.7	63.6	0	0	0	0	114	E94 R99	E94-S97 VanDerWaalsContact O-CB 3.3Å; E94-S97 WeakPolarHBondContact O-CB 3.35Å; E94-S97 PolarHBondContact O-N 3.05Å; E94-S97 PolarHBondContact O-OG 3.3Å; S97-R99 VanDerWaalsContact O-CG 3.31Å; S97-R99 WeakPolarHBondContact O-CG 3.33Å; S97-R99 PolarHBondContact O-N 2.93Å; S97-R99 VanDerWaalsContact O-N 3.07Å; S97-R99 PolarHBondContact OG-N 3.43Å; S97-R99 PolarHBondContact OG-O 3.28Å
98	K	88.3	Confident	90	Very high	135 Å²	135	71.9 Å²	71.9	59%	0.587	34%	0.337	S	S	*	.			trans	47.9	31.5	-170.3	-65.2	-175.5	178.2	179.3	0	112.1	H96 I125	H96-K98 PolarHBondContact O-N 3.5Å; H96-K98 VanDerWaalsContact O-N 3.09Å; K98-I125 HydrophobicContact CB-CB 4.48Å; K98-I125 WeakPolarHBondContact O-CB 3.37Å; K98-I125 PolarHBondContact O-N 3.42Å
99	R	91.9	Very high	89.7	Confident	108 Å²	108	77.6 Å²	77.6	41%	0.408	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	145.1	-176.5	-73.2	161.5	-177.5	-119.4	5.4	108.5	T93 S97 E122 Y123	T93-R99 PolarHBondContact OG1-O 3.26Å; S97-R99 VanDerWaalsContact O-CG 3.31Å; S97-R99 WeakPolarHBondContact O-CG 3.33Å; S97-R99 PolarHBondContact O-N 2.93Å; S97-R99 VanDerWaalsContact O-N 3.07Å; S97-R99 PolarHBondContact OG-N 3.43Å; S97-R99 PolarHBondContact OG-O 3.28Å; R99-E122 VanDerWaalsContact CD-OE1 3.29Å; R99-E122 WeakPolarHBondContact CD-OE1 3.37Å; R99-E122 IonicContact CZ-OE1 3.94Å; R99-E122 IonicContact NE-OE1 3.4Å; R99-E122 VanDerWaalsContact NH1-CD 3.26Å; R99-E122 IonicContact NH1-OE1 3.63Å; R99-E122 PolarHBondContact NH1-OE1 2.83Å; R99-E122 IonicContact NH1-OE2 2.7Å; R99-E122 PolarHBondContact NH1-OE2 2.9Å; R99-Y123 CarbonylContact C-O 3.57Å; R99-Y123 VanDerWaalsContact CA-O 3.26Å; R99-Y123 WeakPolarHBondContact CA-O 3.31Å
100	V	92.1	Very high	89.1	Confident	11 Å²	11	73.4 Å²	73.4	7%	0.067	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	124.5	172.4	176	0	0	0	0	107.1	L64 F90 V102 Y123 I125	L64-V100 HydrophobicContact CD2-CG2 4.38Å; F90-V100 HydrophobicContact CD1-CG1 3.6Å; F90-V100 HydrophobicContact CE1-CG1 3.59Å; V100-V102 HydrophobicContact CG1-CG2 4.33Å; V100-Y123 PolarHBondContact N-O 2.79Å; V100-Y123 WeakPolarHBondContact O-CB 3.39Å; V100-Y123 PolarHBondContact O-N 3.08Å; V100-I125 HydrophobicContact CG2-CD1 3.74Å; V100-I125 HydrophobicContact CG2-CG1 4.34Å
101	K	94	Very high	88.4	Confident	79 Å²	79	72.6 Å²	72.6	34%	0.343	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	131.4	177.8	-71.5	179.3	-177.2	178.7	0	109.5	I91 T93 V120 E122	I91-K101 HydrophobicContact CB-CB 3.92Å; I91-K101 PolarHBondContact N-O 2.73Å; T93-K101 HydrophobicContact CG2-CB 3.89Å; T93-K101 HydrophobicContact CG2-CD 3.87Å; T93-K101 HydrophobicContact CG2-CG 3.72Å; K101-V120 HydrophobicContact CB-CG1 4.13Å; K101-V120 HydrophobicContact CG-CG1 4.41Å; K101-E122 HydrophobicContact CG-CB 4.43Å; K101-E122 HydrophobicContact CG-CG 4.45Å
102	V	94.5	Very high	87.7	Confident	0 Å²	0	72.4 Å²	72.4	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	119.6	177.6	-175	0	0	0	0	108.8	L70 K89 F90 V100 L104 V120 V121 Y123	L70-V102 HydrophobicContact CD1-CG1 3.71Å; L70-V102 HydrophobicContact CD1-CG2 4.44Å; K89-V102 CarbonylContact O-C 3.56Å; K89-V102 WeakPolarHBondContact O-CA 3.44Å; F90-V102 HydrophobicContact CD1-CG2 3.8Å; F90-V102 HydrophobicContact CE1-CG2 3.75Å; V100-V102 HydrophobicContact CG1-CG2 4.33Å; V102-L104 HydrophobicContact CG1-CD2 3.67Å; V102-L104 HydrophobicContact CG1-CG 4.34Å; V102-V120 WeakPolarHBondContact O-CA 3.43Å; V102-V121 PolarHBondContact N-O 3.01Å; V102-V121 PolarHBondContact O-N 2.79Å; V102-Y123 HydrophobicContact CB-CE2 4.01Å; V102-Y123 HydrophobicContact CG2-CD2 3.91Å; V102-Y123 HydrophobicContact CG2-CE2 3.61Å
103	L	95.7	Very high	87.4	Confident	49 Å²	49	65.2 Å²	65.2	26%	0.257	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	118.7	168.7	-174.3	70.8	0	0	0	109	A88 K89 I91 V120	A88-L103 CarbonylContact C-O 3.6Å; A88-L103 WeakPolarHBondContact CA-O 3.48Å; K89-L103 PolarHBondContact N-O 2.98Å; K89-L103 PolarHBondContact O-N 3.18Å; I91-L103 HydrophobicContact CD1-CB 3.99Å; I91-L103 HydrophobicContact CD1-CD1 4.47Å; I91-L103 HydrophobicContact CG1-CB 3.93Å; L103-V120 HydrophobicContact CD1-CG2 3.74Å
104	L	94.2	Very high	87.2	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	126.6	174.3	-56.8	178.9	0	0	0	109.4	L37 L74 L77 L85 A88 V102 I106 S118 V119 V121	L37-L104 HydrophobicContact CD1-CD1 4.49Å; L74-L104 HydrophobicContact CD2-CD2 3.61Å; L77-L104 HydrophobicContact CD1-CD1 3.6Å; L85-L104 HydrophobicContact CD1-CB 4.2Å; L85-L104 HydrophobicContact CD1-CD2 4Å; A88-L104 HydrophobicContact CB-CD2 3.68Å; V102-L104 HydrophobicContact CG1-CD2 3.67Å; V102-L104 HydrophobicContact CG1-CG 4.34Å; L104-I106 HydrophobicContact CB-CG2 4.18Å; L104-S118 CarbonylContact O-C 3.59Å; L104-S118 WeakPolarHBondContact O-CA 3.45Å; L104-V119 PolarHBondContact N-O 3.01Å; L104-V119 PolarHBondContact O-N 2.93Å; L104-V121 HydrophobicContact CD1-CG2 3.6Å; L104-V121 HydrophobicContact CG-CG2 4.3Å
105	K	94.2	Very high	87.4	Confident	85 Å²	85	60.3 Å²	60.3	37%	0.37	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	121.2	164.7	-63.3	-172	-179.2	173.3	0	108.3	V86 D87	V86-K105 HydrophobicContact CB-CB 4.19Å; V86-K105 WeakPolarHBondContact CB-O 3.29Å; V86-K105 PolarHBondContact N-O 2.96Å; D87-K105 HydrophobicContact CB-CB 3.98Å; D87-K105 HydrophobicContact CB-CD 3.99Å; D87-K105 HydrophobicContact CB-CG 4.15Å; D87-K105 PolarHBondContact N-O 3.44Å; D87-K105 PolarHBondContact O-N 3.09Å
106	I	92.8	Very high	88.2	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	148.4	-173.6	62.7	173.8	0	0	0	110.8	I33 L37 V83 R84 L85 L104 L116 Q117 V119	I33-I106 HydrophobicContact CB-CD1 4.47Å; I33-I106 HydrophobicContact CG2-CD1 4.1Å; L37-I106 HydrophobicContact CD1-CD1 3.86Å; L37-I106 HydrophobicContact CD1-CG2 4.09Å; V83-I106 HydrophobicContact CG1-CB 3.64Å; V83-I106 HydrophobicContact CG1-CD1 4.22Å; V83-I106 HydrophobicContact CG1-CG1 4.24Å; V83-I106 HydrophobicContact CG1-CG2 4.39Å; R84-I106 CarbonylContact O-C 3.57Å; R84-I106 WeakPolarHBondContact O-CA 3.31Å; L85-I106 HydrophobicContact CD1-CG2 4.15Å; L104-I106 HydrophobicContact CB-CG2 4.18Å; I106-L116 WeakPolarHBondContact O-CA 3.48Å; I106-Q117 HydrophobicContact CG1-CB 4.22Å; I106-Q117 WeakPolarHBondContact CG1-O 3.47Å; I106-Q117 PolarHBondContact N-O 2.9Å; I106-Q117 PolarHBondContact O-N 2.84Å; I106-V119 HydrophobicContact CD1-CG2 3.88Å; I106-V119 HydrophobicContact CG1-CG2 4.43Å
107	Q	91.2	Very high	88.8	Confident	51 Å²	51	55.4 Å²	55.4	24%	0.238	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	130.1	179.5	-170.9	-178	6.1	0	0	110.2	V83 R84 V86 L115 L116	V83-Q107 WeakPolarHBondContact CG1-O 3.27Å; R84-Q107 HydrophobicContact CB-CB 4.29Å; R84-Q107 WeakPolarHBondContact CB-O 3.43Å; R84-Q107 PolarHBondContact N-O 2.75Å; R84-Q107 PolarHBondContact O-N 3.09Å; V86-Q107 HydrophobicContact CG2-CB 3.68Å; Q107-L115 VanDerWaalsContact CA-O 3.3Å; Q107-L115 WeakPolarHBondContact CA-O 3Å; Q107-L116 HydrophobicContact CB-CD2 3.66Å; Q107-L116 HydrophobicContact CG-CD2 3.8Å; Q107-L116 HydrophobicContact CG-CG 4.41Å
108	K	89.9	Confident	89.1	Confident	88 Å²	88	56.9 Å²	56.9	38%	0.383	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	144.9	171.2	-168.7	-178.8	176.5	-169	0	109.2	I33 V83 V110 L115	I33-K108 HydrophobicContact CB-CB 4.33Å; I33-K108 HydrophobicContact CD1-CB 4.22Å; I33-K108 HydrophobicContact CG1-CB 4.19Å; I33-K108 HydrophobicContact CG2-CB 3.25Å; I33-K108 HydrophobicContact CG2-CD 3.79Å; I33-K108 HydrophobicContact CG2-CG 4.16Å; V83-K108 HydrophobicContact CG1-CB 4.15Å; K108-V110 HydrophobicContact CD-CG2 4.43Å; K108-V110 HydrophobicContact CG-CG2 4.48Å; K108-L115 PolarHBondContact N-O 3.4Å; K108-L115 VanDerWaalsContact N-O 3.16Å; K108-L115 PolarHBondContact O-N 3.46Å
109	E	86.7	Confident	89.4	Confident	138 Å²	138	50.9 Å²	50.9	65%	0.645	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.2	127.5	171.4	-163.9	174.7	167.6	0	0	109.5	G112 V113	E109-G112 WeakPolarHBondContact OE1-CA 3.45Å; E109-V113 WeakPolarHBondContact CA-O 3.26Å
110	V	81.7	Confident	89.5	Confident	27 Å²	27	48.8 Å²	48.8	16%	0.164	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	119.9	176.9	-177.2	0	0	0	0	107.1	E31 K108 G112 V113 L115	E31-V110 HydrophobicContact CG-CG1 4.16Å; K108-V110 HydrophobicContact CD-CG2 4.43Å; K108-V110 HydrophobicContact CG-CG2 4.48Å; V110-G112 VanDerWaalsContact C-N 3.3Å; V110-G112 PolarHBondContact O-N 3.04Å; V110-V113 PolarHBondContact N-O 3.48Å; V110-V113 PolarHBondContact O-N 3.43Å; V110-L115 HydrophobicContact CB-CD1 4.15Å; V110-L115 HydrophobicContact CG2-CD1 4.06Å
111	A	78.5	Confident	89.6	Confident	28 Å²	28	48.3 Å²	48.3	23%	0.231	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.5	45.2	-178.9	0	0	0	0	0	114	V20 V113	V20-A111 HydrophobicContact CB-CB 4.38Å; V20-A111 HydrophobicContact CG1-CB 3.8Å; V20-A111 HydrophobicContact CG2-CB 3.69Å; A111-V113 PolarHBondContact O-N 3.07Å
112	G	78.9	Confident	89.6	Confident	59 Å²	59	45.8 Å²	45.8	61%	0.608	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.5	-3.3	-179	0	0	0	0	0	115.4	E109 V110	E109-G112 WeakPolarHBondContact OE1-CA 3.45Å; V110-G112 VanDerWaalsContact C-N 3.3Å; V110-G112 PolarHBondContact O-N 3.04Å
113	V	82.4	Confident	89.5	Confident	23 Å²	23	45.8 Å²	45.8	14%	0.139	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	120.7	178.7	-178	0	0	0	0	109.9	V24 V27 E109 V110 A111 L115	V24-V113 HydrophobicContact CG1-CG1 4.02Å; V24-V113 HydrophobicContact CG2-CG2 4.21Å; V27-V113 HydrophobicContact CG1-CB 4.46Å; E109-V113 WeakPolarHBondContact CA-O 3.26Å; V110-V113 PolarHBondContact N-O 3.48Å; V110-V113 PolarHBondContact O-N 3.43Å; A111-V113 PolarHBondContact O-N 3.07Å; V113-L115 HydrophobicContact CG1-CD2 4Å; V113-L115 HydrophobicContact CG1-CG 4.44Å; V113-L115 PolarHBondContact O-N 2.94Å
114	A	84.8	Confident	89.4	Confident	50 Å²	50	45.2 Å²	45.2	41%	0.413	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	112.9	169.8	0	0	0	0	0	110.4
115	L	86.5	Confident	89.2	Confident	8 Å²	8	46.7 Å²	46.7	4%	0.042	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	140.1	176.4	-63.2	176.8	0	0	0	110	V27 R28 E31 I33 Q107 K108 V110 V113	V27-L115 HydrophobicContact CG1-CD1 4.12Å; V27-L115 HydrophobicContact CG1-CD2 4.33Å; R28-L115 HydrophobicContact CB-CD2 4.13Å; R28-L115 HydrophobicContact CG-CD2 3.29Å; E31-L115 HydrophobicContact CB-CD1 3.82Å; I33-L115 VanDerWaalsContact CD1-C 3.44Å; I33-L115 HydrophobicContact CD1-CB 3.2Å; I33-L115 HydrophobicContact CD1-CD1 4.41Å; I33-L115 HydrophobicContact CD1-CG 4.44Å; I33-L115 WeakPolarHBondContact CD1-O 3.49Å; I33-L115 HydrophobicContact CG1-CB 3.82Å; I33-L115 HydrophobicContact CG1-CD1 4.11Å; Q107-L115 VanDerWaalsContact CA-O 3.3Å; Q107-L115 WeakPolarHBondContact CA-O 3Å; K108-L115 PolarHBondContact N-O 3.4Å; K108-L115 VanDerWaalsContact N-O 3.16Å; K108-L115 PolarHBondContact O-N 3.46Å; V110-L115 HydrophobicContact CB-CD1 4.15Å; V110-L115 HydrophobicContact CG2-CD1 4.06Å; V113-L115 HydrophobicContact CG1-CD2 4Å; V113-L115 HydrophobicContact CG1-CG 4.44Å; V113-L115 PolarHBondContact O-N 2.94Å
116	L	90.4	Very high	89.1	Confident	127 Å²	127	46.3 Å²	46.3	67%	0.665	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.8	124.6	175.7	-75.9	167.9	0	0	0	109	V86 I106 Q107	V86-L116 HydrophobicContact CG2-CD2 3.93Å; I106-L116 WeakPolarHBondContact O-CA 3.48Å; Q107-L116 HydrophobicContact CB-CD2 3.66Å; Q107-L116 HydrophobicContact CG-CD2 3.8Å; Q107-L116 HydrophobicContact CG-CG 4.41Å
117	Q	90.5	Very high	89	Confident	56 Å²	56	50.3 Å²	50.3	26%	0.262	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	146.1	-179.4	-163.2	176.1	9	0	0	110.6	N32 I33 S34 I106	N32-Q117 PolarHBondContact OD1-NE2 3.24Å; N32-Q117 PolarHBondContact OD1-OE1 3.02Å; I33-Q117 HydrophobicContact CD1-CB 4.13Å; S34-Q117 VanDerWaalsContact N-OE1 3.16Å; I106-Q117 HydrophobicContact CG1-CB 4.22Å; I106-Q117 WeakPolarHBondContact CG1-O 3.47Å; I106-Q117 PolarHBondContact N-O 2.9Å; I106-Q117 PolarHBondContact O-N 2.84Å
118	S	92.7	Very high	88.9	Confident	73 Å²	73	50.4 Å²	50.4	51%	0.51	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	132.6	173.7	-59.5	0	0	0	0	109.9	L104	L104-S118 CarbonylContact O-C 3.59Å; L104-S118 WeakPolarHBondContact O-CA 3.45Å
119	V	92.9	Very high	88.8	Confident	8 Å²	8	48.5 Å²	48.5	5%	0.048	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	134.2	-174.7	179.7	0	0	0	0	108.6	R39 L104 I106 V121	R39-V119 VanDerWaalsContact NH1-CG1 3.27Å; L104-V119 PolarHBondContact N-O 3.01Å; L104-V119 PolarHBondContact O-N 2.93Å; I106-V119 HydrophobicContact CD1-CG2 3.88Å; I106-V119 HydrophobicContact CG1-CG2 4.43Å; V119-V121 HydrophobicContact CG1-CG2 4.46Å
120	V	94.3	Very high	88.8	Confident	65 Å²	65	41.9 Å²	41.9	39%	0.394	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	122.9	171.1	-176.2	0	0	0	0	108.6	I91 K101 V102 L103	I91-V120 HydrophobicContact CD1-CB 4.38Å; I91-V120 HydrophobicContact CD1-CG1 3.79Å; I91-V120 HydrophobicContact CD1-CG2 3.64Å; K101-V120 HydrophobicContact CB-CG1 4.13Å; K101-V120 HydrophobicContact CG-CG1 4.41Å; V102-V120 WeakPolarHBondContact O-CA 3.43Å; L103-V120 HydrophobicContact CD1-CG2 3.74Å
121	V	93.8	Very high	88.7	Confident	0 Å²	0	45 Å²	45	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	127.1	169.6	-178.8	0	0	0	0	108.5	L77 V102 L104 V119 Y123	L77-V121 HydrophobicContact CD1-CG2 4.42Å; L77-V121 HydrophobicContact CD2-CG1 3.98Å; L77-V121 HydrophobicContact CD2-CG2 4.46Å; V102-V121 PolarHBondContact N-O 3.01Å; V102-V121 PolarHBondContact O-N 2.79Å; L104-V121 HydrophobicContact CD1-CG2 3.6Å; L104-V121 HydrophobicContact CG-CG2 4.3Å; V119-V121 HydrophobicContact CG1-CG2 4.46Å; V121-Y123 HydrophobicContact CB-CE2 3.94Å; V121-Y123 HydrophobicContact CG1-CD2 4.11Å; V121-Y123 HydrophobicContact CG1-CE2 3.51Å
122	E	94.1	Very high	88.5	Confident	26 Å²	26	48.9 Å²	48.9	12%	0.121	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	125.7	175.5	176.6	172.5	-136.8	0	0	110.8	R39 Q40 S41 R99 K101	R39-E122 PolarHBondContact O-N 2.97Å; Q40-E122 CarbonylContact C-O 3.54Å; Q40-E122 VanDerWaalsContact CA-O 3.25Å; Q40-E122 WeakPolarHBondContact CA-O 3.26Å; Q40-E122 HydrophobicContact CG-CB 4.17Å; Q40-E122 PolarHBondContact NE2-OE2 2.57Å; S41-E122 PolarHBondContact N-O 3.42Å; R99-E122 VanDerWaalsContact CD-OE1 3.29Å; R99-E122 WeakPolarHBondContact CD-OE1 3.37Å; R99-E122 IonicContact CZ-OE1 3.94Å; R99-E122 IonicContact NE-OE1 3.4Å; R99-E122 VanDerWaalsContact NH1-CD 3.26Å; R99-E122 IonicContact NH1-OE1 3.63Å; R99-E122 PolarHBondContact NH1-OE1 2.83Å; R99-E122 IonicContact NH1-OE2 2.7Å; R99-E122 PolarHBondContact NH1-OE2 2.9Å; K101-E122 HydrophobicContact CG-CB 4.43Å; K101-E122 HydrophobicContact CG-CG 4.45Å
123	Y	93.7	Very high	88.6	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	118.1	176.5	-65.6	-97.1	0	0	0	109.6	S41 L43 C73 L77 R99 V100 V102 V121	S41-Y123 CarbonylContact O-C 3.52Å; S41-Y123 VanDerWaalsContact O-CA 3.26Å; S41-Y123 WeakPolarHBondContact O-CA 3.43Å; S41-Y123 WeakPolarHBondContact OG-CD1 3.47Å; S41-Y123 WeakPolarHBondContact OG-CE1 3.41Å; L43-Y123 HydrophobicContact CD1-CD1 3.92Å; L43-Y123 HydrophobicContact CD1-CG 3.88Å; L43-Y123 HydrophobicContact CD2-CD1 4.05Å; L43-Y123 HydrophobicContact CG-CD1 3.67Å; L43-Y123 HydrophobicContact CG-CG 4.08Å; C73-Y123 HydrophobicContact CB-CD1 4.45Å; C73-Y123 HydrophobicContact CB-CE1 3.75Å; C73-Y123 HydrophobicContact CB-CE2 3.96Å; C73-Y123 VanDerWaalsContact CB-CZ 3.5Å; C73-Y123 PolarHBondContact O-OH 2.78Å; C73-Y123 VanDerWaalsContact O-OH 3.05Å; L77-Y123 WeakPolarHBondContact CD1-OH 3.45Å; L77-Y123 WeakPolarHBondContact CG-OH 2.87Å; R99-Y123 CarbonylContact C-O 3.57Å; R99-Y123 VanDerWaalsContact CA-O 3.26Å; R99-Y123 WeakPolarHBondContact CA-O 3.31Å; V100-Y123 PolarHBondContact N-O 2.79Å; V100-Y123 WeakPolarHBondContact O-CB 3.39Å; V100-Y123 PolarHBondContact O-N 3.08Å; V102-Y123 HydrophobicContact CB-CE2 4.01Å; V102-Y123 HydrophobicContact CG2-CD2 3.91Å; V102-Y123 HydrophobicContact CG2-CE2 3.61Å; V121-Y123 HydrophobicContact CB-CE2 3.94Å; V121-Y123 HydrophobicContact CG1-CD2 4.11Å; V121-Y123 HydrophobicContact CG1-CE2 3.51Å
124	V	92.7	Very high	88.3	Confident	37 Å²	37	50.5 Å²	50.5	22%	0.224	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	123.4	174.2	-177.7	0	0	0	0	109.1	S41 Q42 L43	S41-V124 PolarHBondContact O-N 3.06Å; Q42-V124 CarbonylContact C-O 3.55Å; Q42-V124 WeakPolarHBondContact CA-O 3.44Å; L43-V124 PolarHBondContact N-O 3.46Å
125	I	91.4	Very high	87.5	Confident	31 Å²	31	55.2 Å²	55.2	16%	0.159	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	117.2	178.8	-62	167.4	0	0	0	109.8	L43 T45 K98 V100	L43-I125 HydrophobicContact CB-CG1 4.44Å; L43-I125 CarbonylContact O-C 2.94Å; L43-I125 WeakPolarHBondContact O-CA 3.33Å; T45-I125 HydrophobicContact CG2-CG2 3.75Å; T45-I125 WeakPolarHBondContact OG1-CG2 3.3Å; K98-I125 HydrophobicContact CB-CB 4.48Å; K98-I125 WeakPolarHBondContact O-CB 3.37Å; K98-I125 PolarHBondContact O-N 3.42Å; V100-I125 HydrophobicContact CG2-CD1 3.74Å; V100-I125 HydrophobicContact CG2-CG1 4.34Å
126	H	91.7	Very high	86.6	Confident	78 Å²	78	60 Å²	60	36%	0.361	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	127.7	169.6	-67.8	-76	0	0	0	110.7	L43 Q44 T45	L43-H126 PolarHBondContact O-N 2.99Å; Q44-H126 CarbonylContact C-O 3.54Å; Q44-H126 VanDerWaalsContact CA-O 3.27Å; Q44-H126 WeakPolarHBondContact CA-O 3.3Å; Q44-H126 HydrophobicContact CG-CB 4.41Å; T45-H126 PolarHBondContact N-O 3.17Å
127	T	90.1	Very high	85.5	Confident	84 Å²	84	59.8 Å²	59.8	52%	0.515	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	120.2	174.9	51.2	0	0	0	0	110.1	T45	T45-T127 WeakPolarHBondContact O-CA 3.27Å
128	T	89.6	Confident	84	Confident	52 Å²	52	60.3 Å²	60.3	32%	0.319	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	178.7	174.8	46.8	0	0	0	0	108.8	T45 C46 K47	T45-T128 PolarHBondContact O-N 3.3Å; T45-T128 VanDerWaalsContact O-O 3.13Å; C46-T128 CarbonylContact C-O 3.54Å; C46-T128 WeakPolarHBondContact CA-O 2.99Å; K47-T128 PolarHBondContact N-O 2.79Å
129	L	86.5	Confident	82.7	Confident	48 Å²	48	65 Å²	65	25%	0.251	33%	0.33	S	S	.	.			trans	-100.6	138.6	171.9	-65.4	163.8	0	0	0	108.6	K47 L48 C133 Q134 E137	K47-L129 HydrophobicContact CB-CD2 4.04Å; L48-L129 HydrophobicContact CD1-CD2 4.18Å; L48-L129 HydrophobicContact CG-CD2 3.99Å; L129-C133 HydrophobicContact CD2-CB 4.19Å; L129-Q134 HydrophobicContact CB-CB 4.08Å; L129-E137 WeakPolarHBondContact CD1-OE2 3.37Å
130	C	87	Confident	81.4	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	34%	0.338	C	S	.	.			trans	-74.9	161.8	166.4	70.9	0	0	0	0	110.5	C46 W59 E132 C133 Q134	C46-C130 HydrophobicContact CB-CB 4.12Å; C46-C130 PolarHBondContact SG-N 2.87Å; W59-C130 HydrophobicContact CB-CB 4.37Å; W59-C130 HydrophobicContact CD2-CB 3.3Å; W59-C130 VanDerWaalsContact CE2-CA 3.43Å; W59-C130 HydrophobicContact CE3-CB 3.82Å; W59-C130 HydrophobicContact CG-CB 3.55Å; W59-C130 HydrophobicContact CH2-CB 4.26Å; W59-C130 HydrophobicContact CZ2-CB 3.81Å; W59-C130 HydrophobicContact CZ3-CB 4.28Å; C130-E132 PolarHBondContact O-N 2.85Å; C130-E132 VanDerWaalsContact O-N 3.17Å; C130-C133 PolarHBondContact O-N 2.9Å; C130-C133 PolarHBondContact SG-N 2.92Å; C130-C133 VanDerWaalsContact SG-N 3.42Å; C130-C133 PolarHBondContact SG-SG 2.8Å; C130-Q134 WeakPolarHBondContact O-CB 3.17Å; C130-Q134 PolarHBondContact O-N 3.4Å
131	D	80	Confident	80.4	Confident	91 Å²	91	67.8 Å²	67.8	49%	0.487	34%	0.337	S	S	.	.	H	α-helix	trans	-55.5	-38.4	-177.6	-55.7	-50.9	0	0	0	112.4	R135	D131-R135 VanDerWaalsContact O-CG 3.23Å; D131-R135 WeakPolarHBondContact O-CG 3.39Å; D131-R135 PolarHBondContact O-N 3.1Å; D131-R135 VanDerWaalsContact O-N 3.08Å
132	E	75.3	Confident	80	Confident	111 Å²	111	69.8 Å²	69.8	52%	0.519	34%	0.344	S	S	.	.	H	α-helix	trans	-62.1	-48.4	175.3	-63.5	171.2	175.3	0	0	111.6	K51 C130 R135 I136	K51-E132 IonicContact NZ-OE1 3.65Å; K51-E132 IonicContact NZ-OE2 3.38Å; K51-E132 PolarHBondContact NZ-OE2 3.14Å; C130-E132 PolarHBondContact O-N 2.85Å; C130-E132 VanDerWaalsContact O-N 3.17Å; E132-R135 PolarHBondContact O-N 3.39Å; E132-I136 WeakPolarHBondContact O-CG1 3.27Å; E132-I136 PolarHBondContact O-N 3.47Å
133	C	80.6	Confident	79.8	Confident	7 Å²	7	71.6 Å²	71.6	5%	0.047	35%	0.35	C	S	.	.	H	α-helix	trans	-72.8	-33.9	-178.2	-72.2	0	0	0	0	112.8	L48 C49 L129 C130 R135 I136 E137	L48-C133 HydrophobicContact CB-CB 4.17Å; L48-C133 HydrophobicContact CD1-CB 3.98Å; L48-C133 HydrophobicContact CG-CB 4.41Å; C49-C133 VanDerWaalsContact SG-SG 3.66Å; L129-C133 HydrophobicContact CD2-CB 4.19Å; C130-C133 PolarHBondContact O-N 2.9Å; C130-C133 PolarHBondContact SG-N 2.92Å; C130-C133 VanDerWaalsContact SG-N 3.42Å; C130-C133 PolarHBondContact SG-SG 2.8Å; C133-R135 VanDerWaalsContact C-N 3.34Å; C133-I136 PolarHBondContact O-N 2.91Å; C133-E137 PolarHBondContact O-N 2.91Å
134	Q	76.4	Confident	79.8	Confident	108 Å²	108	71.6 Å²	71.6	51%	0.505	35%	0.35	S	S	.	.	H	α-helix	trans	-65.3	-39	174.4	-169.9	174.1	-6.5	0	0	111	L129 C130 E137 A138	L129-Q134 HydrophobicContact CB-CB 4.08Å; C130-Q134 WeakPolarHBondContact O-CB 3.17Å; C130-Q134 PolarHBondContact O-N 3.4Å; Q134-E137 PolarHBondContact O-N 3.12Å; Q134-A138 VanDerWaalsContact O-CB 3.27Å; Q134-A138 WeakPolarHBondContact O-CB 3.41Å; Q134-A138 PolarHBondContact O-N 3.12Å
135	R	68.2	Low	79.9	Confident	149 Å²	149	70 Å²	70	56%	0.562	34%	0.34	S	S	*	.	H	α-helix	trans	-63.1	-39.3	173	-73.9	171.8	-174.3	-174.7	2.3	112.7	D131 E132 C133 A138 K139 D140	D131-R135 VanDerWaalsContact O-CG 3.23Å; D131-R135 WeakPolarHBondContact O-CG 3.39Å; D131-R135 PolarHBondContact O-N 3.1Å; D131-R135 VanDerWaalsContact O-N 3.08Å; E132-R135 PolarHBondContact O-N 3.39Å; C133-R135 VanDerWaalsContact C-N 3.34Å; R135-A138 PolarHBondContact O-N 2.79Å; R135-K139 PolarHBondContact O-N 3.03Å; R135-D140 PolarHBondContact O-N 2.98Å
136	I	67.6	Low	80.1	Confident	110 Å²	110	68.5 Å²	68.5	56%	0.564	33%	0.333	S	S	*	.	H	α-helix	trans	-61.3	-48.6	175.8	-67	166.9	0	0	0	110.2	E132 C133 A138 K139	E132-I136 WeakPolarHBondContact O-CG1 3.27Å; E132-I136 PolarHBondContact O-N 3.47Å; C133-I136 PolarHBondContact O-N 2.91Å; I136-A138 VanDerWaalsContact C-N 3.35Å; I136-A138 PolarHBondContact O-N 3.07Å; I136-K139 PolarHBondContact O-N 3.06Å
137	E	66	Low	80.4	Confident	122 Å²	122	68 Å²	68	57%	0.57	33%	0.331	S	S	*	.	H	α-helix	trans	-68	-33.6	-179.4	-163.4	168.9	178.4	0	0	112.4	L129 C133 Q134 K139	L129-E137 WeakPolarHBondContact CD1-OE2 3.37Å; C133-E137 PolarHBondContact O-N 2.91Å; Q134-E137 PolarHBondContact O-N 3.12Å; E137-K139 VanDerWaalsContact C-N 3.26Å; E137-K139 PolarHBondContact O-N 2.94Å
138	A	60.3	Low	80.7	Confident	66 Å²	66	64 Å²	64	55%	0.545	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-2.8	177.8	0	0	0	0	0	114.9	Q134 R135 I136 D140	Q134-A138 VanDerWaalsContact O-CB 3.27Å; Q134-A138 WeakPolarHBondContact O-CB 3.41Å; Q134-A138 PolarHBondContact O-N 3.12Å; R135-A138 PolarHBondContact O-N 2.79Å; I136-A138 VanDerWaalsContact C-N 3.35Å; I136-A138 PolarHBondContact O-N 3.07Å; A138-D140 PolarHBondContact O-N 3.25Å
139	K	64.3	Low	81	Confident	171 Å²	171	64.5 Å²	64.5	74%	0.743	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	16.5	-172	-58.7	179.9	178.5	178.1	0	114.3	R135 I136 E137	R135-K139 PolarHBondContact O-N 3.03Å; I136-K139 PolarHBondContact O-N 3.06Å; E137-K139 VanDerWaalsContact C-N 3.26Å; E137-K139 PolarHBondContact O-N 2.94Å
140	D	65.5	Low	81.3	Confident	40 Å²	40	62.5 Å²	62.5	21%	0.214	29%	0.291	C	S	.	.			trans	-108.5	55.5	-177.8	-158	42.6	0	0	0	110.8	R135 A138 R143 K228	R135-D140 PolarHBondContact O-N 2.98Å; A138-D140 PolarHBondContact O-N 3.25Å; D140-R143 IonicContact OD2-CZ 2.84Å; D140-R143 IonicContact OD2-NH2 3.78Å; D140-R143 PolarHBondContact OD2-NH2 3.01Å; D140-K228 WeakPolarHBondContact OD1-CE 3.48Å; D140-K228 IonicContact OD1-NZ 3.83Å; D140-K228 PolarHBondContact OD1-NZ 3Å
141	Y	73.4	Confident	81.5	Confident	92 Å²	92	69.2 Å²	69.2	36%	0.361	32%	0.321	S	S	.	.			trans	-91.3	2.5	-172.7	50.7	-110.5	0	0	0	113.7	N175 F176	Y141-N175 PolarHBondContact O-ND2 3.31Å; Y141-F176 HydrophobicContact CD2-CD1 4.02Å; Y141-F176 AromaticContact CD2-CE1 3.26Å; Y141-F176 HydrophobicContact CD2-CE1 3.26Å; Y141-F176 AromaticContact CD2-CZ 4Å; Y141-F176 HydrophobicContact CD2-CZ 4Å; Y141-F176 AromaticContact CE2-CD1 3.89Å; Y141-F176 HydrophobicContact CE2-CD1 3.89Å; Y141-F176 AromaticContact CE2-CE1 2.85Å; Y141-F176 HydrophobicContact CE2-CE1 2.85Å; Y141-F176 HydrophobicContact CE2-CE2 4.29Å; Y141-F176 AromaticContact CE2-CZ 3.09Å; Y141-F176 HydrophobicContact CE2-CZ 3.09Å; Y141-F176 HydrophobicContact CG-CE1 4.4Å; Y141-F176 AromaticContact CZ-CE1 3.66Å; Y141-F176 AromaticContact CZ-CZ 3.56Å; Y141-F176 WeakPolarHBondContact OH-CZ 3.07Å
142	W	86.5	Confident	81.8	Confident	42 Å²	42	65.6 Å²	65.6	16%	0.159	30%	0.303	C	S	.	.			trans	-144.9	149.1	-176.7	67.2	-78.1	0	0	0	113.5	C145 F187 Y188 K228	W142-C145 HydrophobicContact CD2-CB 4.38Å; W142-C145 HydrophobicContact CE3-CB 3.62Å; W142-C145 HydrophobicContact CH2-CB 3.76Å; W142-C145 HydrophobicContact CZ2-CB 4.49Å; W142-C145 HydrophobicContact CZ3-CB 3.27Å; W142-F187 HydrophobicContact CB-CB 4.11Å; W142-F187 HydrophobicContact CB-CD1 4.3Å; W142-F187 AromaticContact CD2-CD1 3.68Å; W142-F187 HydrophobicContact CD2-CD1 3.68Å; W142-F187 HydrophobicContact CD2-CE1 4.22Å; W142-F187 AromaticContact CE2-CD1 3.87Å; W142-F187 AromaticContact CE2-CE1 3.94Å; W142-F187 HydrophobicContact CE3-CD1 4.23Å; W142-F187 HydrophobicContact CG-CB 4.41Å; W142-F187 AromaticContact CG-CD1 3.72Å; W142-F187 HydrophobicContact CG-CD1 3.72Å; W142-F187 HydrophobicContact CZ2-CE1 4.25Å; W142-Y188 WeakPolarHBondContact CA-O 3.42Å; W142-K228 HydrophobicContact CE3-CG 4.45Å; W142-K228 HydrophobicContact CH2-CB 4.37Å; W142-K228 HydrophobicContact CH2-CD 4.11Å; W142-K228 HydrophobicContact CH2-CG 4.31Å; W142-K228 HydrophobicContact CZ2-CD 4.17Å; W142-K228 HydrophobicContact CZ3-CB 4.18Å; W142-K228 HydrophobicContact CZ3-CD 4.4Å; W142-K228 HydrophobicContact CZ3-CG 4.13Å
143	R	89.1	Confident	82.2	Confident	64 Å²	64	67 Å²	67	24%	0.242	31%	0.313	C	S	.	.	S	Bend	trans	-124.1	-13.1	174.7	-58.8	-67.3	177.7	155.7	-4.8	113.2	D140 Y188 S189 H229	D140-R143 IonicContact OD2-CZ 2.84Å; D140-R143 IonicContact OD2-NH2 3.78Å; D140-R143 PolarHBondContact OD2-NH2 3.01Å; R143-Y188 PolarHBondContact N-O 3.32Å; R143-S189 WeakPolarHBondContact CB-O 3.43Å; R143-H229 WeakPolarHBondContact O-CB 3.47Å; R143-H229 PolarHBondContact O-N 2.97Å; R143-H229 PolarHBondContact O-ND1 2.87Å; R143-H229 VanDerWaalsContact O-ND1 3.12Å
144	G	93.2	Very high	82.5	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	132.4	171	0	0	0	0	0	110.7	Y188 H229	G144-Y188 PolarHBondContact N-O 3.35Å; G144-Y188 PolarHBondContact O-N 3.07Å; G144-H229 CarbonylContact C-O 3.44Å; G144-H229 WeakPolarHBondContact CA-O 3.5Å
145	C	94.6	Very high	83	Confident	3 Å²	3	65.1 Å²	65.1	2%	0.02	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	133.5	173.4	176.9	0	0	0	0	109.3	W142 F186 F187 H229 S230 Y231	W142-C145 HydrophobicContact CD2-CB 4.38Å; W142-C145 HydrophobicContact CE3-CB 3.62Å; W142-C145 HydrophobicContact CH2-CB 3.76Å; W142-C145 HydrophobicContact CZ2-CB 4.49Å; W142-C145 HydrophobicContact CZ3-CB 3.27Å; C145-F186 CarbonylContact C-O 3.54Å; C145-F186 WeakPolarHBondContact CA-O 3.5Å; C145-F187 HydrophobicContact CB-CD1 3.93Å; C145-F187 HydrophobicContact CB-CE1 4.02Å; C145-F187 WeakPolarHBondContact SG-CE1 3.3Å; C145-H229 PolarHBondContact N-O 3.3Å; C145-S230 CarbonylContact O-C 3.52Å; C145-S230 WeakPolarHBondContact O-CA 3.48Å; C145-Y231 PolarHBondContact O-N 3.05Å
146	V	97.2	Very high	84	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	113.9	173.9	-173.8	0	0	0	0	108.1	I148 D185 F186 Y188 A194 L197 V198 Y231 V233	V146-I148 HydrophobicContact CG1-CD1 4.32Å; V146-I148 HydrophobicContact CG1-CG1 3.86Å; V146-D185 WeakPolarHBondContact O-CA 3.43Å; V146-F186 HydrophobicContact CB-CB 4.37Å; V146-F186 PolarHBondContact N-O 2.8Å; V146-F186 PolarHBondContact O-N 3.38Å; V146-Y188 HydrophobicContact CG2-CD2 4.49Å; V146-Y188 HydrophobicContact CG2-CE2 4.33Å; V146-A194 HydrophobicContact CG2-CB 3.79Å; V146-A194 VanDerWaalsContact CG2-O 3.25Å; V146-A194 WeakPolarHBondContact CG2-O 3.36Å; V146-L197 HydrophobicContact CB-CD2 4.1Å; V146-L197 HydrophobicContact CG1-CD2 4.15Å; V146-L197 HydrophobicContact CG2-CD2 4.27Å; V146-V198 HydrophobicContact CB-CG2 4.47Å; V146-V198 HydrophobicContact CG1-CG2 3.68Å; V146-V198 HydrophobicContact CG2-CG2 3.92Å; V146-Y231 HydrophobicContact CG2-CD2 4.35Å; V146-V233 HydrophobicContact CG1-CG2 3.94Å
147	Q	96.2	Very high	85.1	Confident	68 Å²	68	54.1 Å²	54.1	32%	0.318	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	101.4	-179.9	-55.9	-174.8	-62.6	0	0	108.8	D185 Y231 V233	Q147-D185 VanDerWaalsContact CA-OD1 3.27Å; Q147-D185 WeakPolarHBondContact CA-OD1 3.33Å; Q147-D185 VanDerWaalsContact CB-OD1 3.3Å; Q147-D185 WeakPolarHBondContact CB-OD1 3.37Å; Q147-D185 WeakPolarHBondContact CG-OD1 3.45Å; Q147-Y231 PolarHBondContact N-O 3Å; Q147-V233 PolarHBondContact O-N 3.31Å
148	I	97	Very high	86.3	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	124.9	179.9	-51.2	-174.6	0	0	0	108.3	V146 L161 G183 M184 F186 L197 V201 V233 I235	V146-I148 HydrophobicContact CG1-CD1 4.32Å; V146-I148 HydrophobicContact CG1-CG1 3.86Å; I148-L161 HydrophobicContact CD1-CD1 3.91Å; I148-L161 HydrophobicContact CD1-CD2 4.2Å; I148-L161 HydrophobicContact CG2-CD1 3.73Å; I148-G183 CarbonylContact O-C 3.54Å; I148-G183 VanDerWaalsContact O-CA 3.29Å; I148-G183 WeakPolarHBondContact O-CA 3.43Å; I148-M184 PolarHBondContact N-O 2.72Å; I148-M184 PolarHBondContact O-N 3.32Å; I148-F186 HydrophobicContact CD1-CD2 4.18Å; I148-F186 HydrophobicContact CD1-CE2 3.89Å; I148-F186 HydrophobicContact CG1-CD2 4.48Å; I148-F186 HydrophobicContact CG1-CE2 4.45Å; I148-L197 HydrophobicContact CD1-CD2 4.49Å; I148-V201 HydrophobicContact CD1-CG2 4.11Å; I148-V233 HydrophobicContact CB-CB 4.46Å; I148-V233 HydrophobicContact CB-CG1 4.39Å; I148-V233 HydrophobicContact CG1-CB 4.15Å; I148-V233 HydrophobicContact CG1-CG1 4.21Å; I148-V233 HydrophobicContact CG2-CG1 3.98Å; I148-I235 HydrophobicContact CG2-CD1 3.52Å; I148-I235 HydrophobicContact CG2-CG1 4.11Å
149	R	95.7	Very high	87.8	Confident	61 Å²	61	46.1 Å²	46.1	23%	0.23	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	140.4	179.3	-62.4	-64.3	-179.6	-81.6	-2	111.1	D182 M184 D185 V233 E234 I235	R149-D182 WeakPolarHBondContact CA-O 3.37Å; R149-M184 PolarHBondContact NH1-O 3.34Å; R149-D185 IonicContact CZ-OD1 3.96Å; R149-D185 IonicContact NH1-OD1 3.28Å; R149-D185 PolarHBondContact NH1-OD1 3.27Å; R149-D185 IonicContact NH2-OD1 3.59Å; R149-D185 PolarHBondContact NH2-OD1 2.9Å; R149-D185 IonicContact NH2-OD2 2.72Å; R149-D185 PolarHBondContact NH2-OD2 3.3Å; R149-V233 PolarHBondContact N-O 3.4Å; R149-E234 WeakPolarHBondContact O-CA 3.43Å; R149-I235 PolarHBondContact O-N 3.3Å
150	Q	94.3	Very high	89.2	Confident	6 Å²	6	38.9 Å²	38.9	3%	0.028	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	122.7	171.5	-169.2	-179.7	4.8	0	0	109.3	C152 S157 L158 D182 I235 A236	Q150-C152 VanDerWaalsContact C-N 3.31Å; Q150-C152 HydrophobicContact CG-CB 4.47Å; Q150-C152 PolarHBondContact O-N 3.2Å; Q150-C152 VanDerWaalsContact O-N 3.09Å; Q150-S157 PolarHBondContact NE2-OG 3.27Å; Q150-S157 VanDerWaalsContact NE2-OG 3.07Å; Q150-S157 PolarHBondContact OE1-OG 3.2Å; Q150-L158 HydrophobicContact CB-CD2 4.43Å; Q150-D182 PolarHBondContact N-O 3.02Å; Q150-I235 HydrophobicContact CB-CB 4.11Å; Q150-I235 HydrophobicContact CG-CB 4.04Å; Q150-I235 HydrophobicContact CG-CG2 4.16Å; Q150-A236 PolarHBondContact NE2-O 3.02Å
151	K	90.1	Very high	90.5	Very high	141 Å²	141	37 Å²	37	61%	0.613	17%	0.167	S	C	*	.			trans	-87.9	68.4	-177.3	-64.8	171.3	-177.9	150.6	0	110.5	E234 P237	K151-E234 IonicContact NZ-OE1 3.06Å; K151-E234 PolarHBondContact NZ-OE1 3.42Å; K151-P237 HydrophobicContact CB-CB 4.3Å; K151-P237 WeakPolarHBondContact O-CB 3.11Å
152	C	86.3	Confident	91.4	Very high	16 Å²	16	32.8 Å²	32.8	11%	0.108	15%	0.15	C	C	.	.			trans	-119.4	159.2	174.3	-67.1	0	0	0	0	110.1	Q150 P237	Q150-C152 VanDerWaalsContact C-N 3.31Å; Q150-C152 HydrophobicContact CG-CB 4.47Å; Q150-C152 PolarHBondContact O-N 3.2Å; Q150-C152 VanDerWaalsContact O-N 3.09Å; C152-P237 VanDerWaalsContact SG-CA 3.51Å
153	L	83.4	Confident	91.8	Very high	139 Å²	139	31 Å²	31	73%	0.728	14%	0.143	S	C	*	.	S	Bend	trans	-77.8	-26.9	179.2	-57	171	0	0	0	112.1
154	H	86.3	Confident	92	Very high	14 Å²	14	28 Å²	28	7%	0.065	13%	0.132	C	C	.	.	S	Bend	trans	-109.5	163.2	-178.3	68.6	62.2	0	0	0	112.4	R156 C239 D433	H154-R156 PolarHBondContact CE1-NE 2.72Å; H154-R156 VanDerWaalsContact CE1-NE 3.26Å; H154-R156 PolarHBondContact ND1-N 2.95Å; H154-R156 PolarHBondContact NE2-NE 3.36Å; H154-R156 PolarHBondContact NE2-NH2 3.49Å; H154-C239 VanDerWaalsContact CE1-CB 3.41Å; H154-C239 WeakPolarHBondContact CE1-CB 3.38Å; H154-C239 PolarHBondContact CE1-SG 3.35Å; H154-C239 VanDerWaalsContact NE2-CB 3.29Å; H154-C239 WeakPolarHBondContact NE2-CB 3.48Å; H154-D433 VanDerWaalsContact CA-OD2 3.27Å; H154-D433 WeakPolarHBondContact CA-OD2 3.2Å
155	K	88.6	Confident	91.9	Very high	63 Å²	63	28 Å²	28	27%	0.274	13%	0.133	S	C	.	.			trans	-100.8	4.9	-177.3	-64.1	-177	178.5	177.3	0	116.2	S157 L158 F159 P181 T430 D433	K155-S157 PolarHBondContact O-N 2.99Å; K155-L158 HydrophobicContact CG-CD1 4.39Å; K155-L158 WeakPolarHBondContact O-CA 3.44Å; K155-L158 WeakPolarHBondContact O-CB 3.13Å; K155-L158 PolarHBondContact O-N 2.98Å; K155-F159 HydrophobicContact CB-CD2 4.34Å; K155-F159 HydrophobicContact CB-CE2 3.79Å; K155-F159 HydrophobicContact CB-CZ 3.96Å; K155-F159 WeakPolarHBondContact O-CD2 3.23Å; K155-F159 PolarHBondContact O-N 2.65Å; K155-P181 WeakPolarHBondContact CE-O 3.33Å; K155-T430 HydrophobicContact CD-CG2 4.17Å; K155-D433 HydrophobicContact CB-CB 4.49Å; K155-D433 PolarHBondContact N-OD2 3.37Å
156	R	89.4	Confident	91.8	Very high	6 Å²	6	29 Å²	29	2%	0.023	14%	0.138	C	C	.	.	H	α-helix	trans	-47	-53.6	-176.9	-62.1	-174.1	-66.7	157.4	-6	114.8	H154 L158 F159 Y160 K240 D241 D242 D433 E436 F437 D440	H154-R156 PolarHBondContact CE1-NE 2.72Å; H154-R156 VanDerWaalsContact CE1-NE 3.26Å; H154-R156 PolarHBondContact ND1-N 2.95Å; H154-R156 PolarHBondContact NE2-NE 3.36Å; H154-R156 PolarHBondContact NE2-NH2 3.49Å; R156-L158 VanDerWaalsContact C-N 3.3Å; R156-L158 PolarHBondContact O-N 3.46Å; R156-F159 WeakPolarHBondContact O-CB 3.47Å; R156-F159 PolarHBondContact O-N 3.36Å; R156-Y160 PolarHBondContact O-N 3.29Å; R156-K240 PolarHBondContact NH1-O 3.03Å; R156-K240 PolarHBondContact NH2-O 2.96Å; R156-D241 IonicContact NH1-OD2 3.15Å; R156-D242 IonicContact NH2-OD1 2.71Å; R156-D433 WeakPolarHBondContact CG-O 3.19Å; R156-E436 HydrophobicContact CG-CB 4.37Å; R156-F437 HydrophobicContact CB-CB 4.37Å; R156-F437 HydrophobicContact CG-CB 4.38Å; R156-D440 IonicContact NH1-OD2 2.69Å; R156-D440 PolarHBondContact NH1-OD2 3.17Å
157	S	89.1	Confident	91.5	Very high	21 Å²	21	31.9 Å²	31.9	15%	0.147	15%	0.15	C	C	.	.	H	α-helix	trans	-67.7	-26.7	179.1	42.6	0	0	0	0	113.8	Q150 K155 Y160 L161	Q150-S157 PolarHBondContact NE2-OG 3.27Å; Q150-S157 VanDerWaalsContact NE2-OG 3.07Å; Q150-S157 PolarHBondContact OE1-OG 3.2Å; K155-S157 PolarHBondContact O-N 2.99Å; S157-Y160 PolarHBondContact O-N 2.58Å; S157-L161 WeakPolarHBondContact O-CB 3.41Å; S157-L161 PolarHBondContact O-N 3.44Å
158	L	91.6	Very high	91.2	Very high	13 Å²	13	33.2 Å²	33.2	7%	0.068	16%	0.156	C	C	.	.	H	α-helix	trans	-72.2	-38.4	172.3	-64.9	177.3	0	0	0	111.1	Q150 K155 R156 Y160 L161 E162 M184	Q150-L158 HydrophobicContact CB-CD2 4.43Å; K155-L158 HydrophobicContact CG-CD1 4.39Å; K155-L158 WeakPolarHBondContact O-CA 3.44Å; K155-L158 WeakPolarHBondContact O-CB 3.13Å; K155-L158 PolarHBondContact O-N 2.98Å; R156-L158 VanDerWaalsContact C-N 3.3Å; R156-L158 PolarHBondContact O-N 3.46Å; L158-Y160 VanDerWaalsContact C-N 3.31Å; L158-Y160 PolarHBondContact O-N 3.12Å; L158-L161 WeakPolarHBondContact O-CB 3.05Å; L158-L161 PolarHBondContact O-N 2.88Å; L158-E162 PolarHBondContact O-N 3.06Å; L158-M184 HydrophobicContact CB-CE 3.89Å; L158-M184 HydrophobicContact CD2-CE 4.31Å; L158-M184 WeakPolarHBondContact O-CE 3.3Å
159	F	92.6	Very high	90.8	Very high	8 Å²	8	36 Å²	36	4%	0.035	17%	0.171	C	C	.	.	H	α-helix	trans	-62.8	-39.8	171.2	-61.1	-50.5	0	0	0	111.7	K155 R156 E162 Q163 T430 D433 Y434 F437	K155-F159 HydrophobicContact CB-CD2 4.34Å; K155-F159 HydrophobicContact CB-CE2 3.79Å; K155-F159 HydrophobicContact CB-CZ 3.96Å; K155-F159 WeakPolarHBondContact O-CD2 3.23Å; K155-F159 PolarHBondContact O-N 2.65Å; R156-F159 WeakPolarHBondContact O-CB 3.47Å; R156-F159 PolarHBondContact O-N 3.36Å; F159-E162 WeakPolarHBondContact O-CB 3.37Å; F159-E162 PolarHBondContact O-N 3.44Å; F159-Q163 WeakPolarHBondContact O-CG 3.33Å; F159-Q163 PolarHBondContact O-N 3.42Å; F159-T430 HydrophobicContact CZ-CG2 3.92Å; F159-D433 HydrophobicContact CE2-CB 3.99Å; F159-Y434 AromaticContact CD1-CD2 3.95Å; F159-Y434 HydrophobicContact CD1-CD2 3.95Å; F159-Y434 HydrophobicContact CD1-CE2 4.49Å; F159-Y434 AromaticContact CD2-CD2 3.94Å; F159-Y434 HydrophobicContact CD2-CD2 3.94Å; F159-Y434 AromaticContact CE1-CD2 3.98Å; F159-Y434 HydrophobicContact CE1-CD2 3.98Å; F159-Y434 VanDerWaalsContact CE2-CA 3.5Å; F159-Y434 AromaticContact CE2-CD2 3.98Å; F159-Y434 HydrophobicContact CE2-CD2 3.98Å; F159-Y434 HydrophobicContact CE2-CG 4.37Å; F159-Y434 AromaticContact CG-CD2 3.93Å; F159-Y434 HydrophobicContact CG-CD2 3.93Å; F159-Y434 AromaticContact CZ-CD2 3.99Å; F159-Y434 HydrophobicContact CZ-CD2 3.99Å; F159-Y434 HydrophobicContact CZ-CG 4.43Å; F159-F437 HydrophobicContact CB-CB 4.43Å; F159-F437 HydrophobicContact CB-CD1 3.45Å; F159-F437 VanDerWaalsContact CB-CD1 3.45Å; F159-F437 HydrophobicContact CB-CD2 4.33Å; F159-F437 HydrophobicContact CB-CE1 3.65Å; F159-F437 HydrophobicContact CB-CG 3.81Å; F159-F437 HydrophobicContact CB-CZ 4.21Å; F159-F437 HydrophobicContact CD2-CB 4.11Å; F159-F437 HydrophobicContact CD2-CD1 4.38Å; F159-F437 HydrophobicContact CD2-CG 4.39Å; F159-F437 HydrophobicContact CG-CD1 4.23Å
160	Y	93.2	Very high	90.4	Very high	19 Å²	19	34.9 Å²	34.9	8%	0.075	17%	0.169	C	C	.	.	H	α-helix	trans	-61	-45.4	172.7	-177.8	-119.8	0	0	0	112	R156 S157 L158 E162 Q163 L164 L205 F437 L447 D450 V451	R156-Y160 PolarHBondContact O-N 3.29Å; S157-Y160 PolarHBondContact O-N 2.58Å; L158-Y160 VanDerWaalsContact C-N 3.31Å; L158-Y160 PolarHBondContact O-N 3.12Å; Y160-E162 VanDerWaalsContact C-N 3.3Å; Y160-E162 PolarHBondContact O-N 3.16Å; Y160-Q163 PolarHBondContact O-N 3.44Å; Y160-Q163 VanDerWaalsContact O-N 3.13Å; Y160-L164 HydrophobicContact CD1-CD1 3.97Å; Y160-L164 HydrophobicContact CD1-CG 4.33Å; Y160-L164 HydrophobicContact CE1-CD1 3.61Å; Y160-L164 HydrophobicContact CE1-CD2 4.27Å; Y160-L164 HydrophobicContact CE1-CG 4.01Å; Y160-L164 HydrophobicContact CE2-CD2 4.24Å; Y160-L164 HydrophobicContact CE2-CG 4.32Å; Y160-L164 WeakPolarHBondContact O-CG 3.23Å; Y160-L164 PolarHBondContact O-N 2.89Å; Y160-L205 HydrophobicContact CD1-CD2 4.22Å; Y160-L205 HydrophobicContact CE1-CD2 4.18Å; Y160-F437 HydrophobicContact CD2-CE2 4.16Å; Y160-F437 HydrophobicContact CD2-CZ 4.49Å; Y160-F437 HydrophobicContact CG-CE2 4.39Å; Y160-L447 HydrophobicContact CD1-CD1 4.03Å; Y160-L447 HydrophobicContact CD2-CD1 3.51Å; Y160-L447 HydrophobicContact CD2-CG 3.93Å; Y160-L447 HydrophobicContact CE1-CD1 3.82Å; Y160-L447 HydrophobicContact CE2-CD1 3.29Å; Y160-L447 HydrophobicContact CE2-CG 3.76Å; Y160-L447 HydrophobicContact CG-CD1 3.88Å; Y160-L447 VanDerWaalsContact CZ-CD1 3.45Å; Y160-D450 HydrophobicContact CE2-CB 4.38Å; Y160-D450 PolarHBondContact OH-OD2 3.24Å; Y160-V451 HydrophobicContact CD2-CG2 4.09Å; Y160-V451 HydrophobicContact CE2-CG2 3.96Å
161	L	93	Very high	90	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-59.5	-40.8	175.7	-175.4	147.9	0	0	0	112.4	I148 S157 L158 Q163 L164 V165 M184 F186 V201 L205 I235	I148-L161 HydrophobicContact CD1-CD1 3.91Å; I148-L161 HydrophobicContact CD1-CD2 4.2Å; I148-L161 HydrophobicContact CG2-CD1 3.73Å; S157-L161 WeakPolarHBondContact O-CB 3.41Å; S157-L161 PolarHBondContact O-N 3.44Å; L158-L161 WeakPolarHBondContact O-CB 3.05Å; L158-L161 PolarHBondContact O-N 2.88Å; L161-Q163 VanDerWaalsContact C-N 3.33Å; L161-Q163 PolarHBondContact O-N 2.81Å; L161-L164 WeakPolarHBondContact O-CB 3.35Å; L161-L164 PolarHBondContact O-N 2.8Å; L161-V165 HydrophobicContact CD2-CG2 4.09Å; L161-V165 WeakPolarHBondContact O-CG2 3.47Å; L161-V165 PolarHBondContact O-N 2.78Å; L161-M184 HydrophobicContact CD2-CE 3.86Å; L161-M184 HydrophobicContact CD2-SD 4.32Å; L161-F186 HydrophobicContact CD2-CE2 4.35Å; L161-F186 HydrophobicContact CD2-CZ 4.29Å; L161-V201 HydrophobicContact CD1-CG1 3.95Å; L161-L205 HydrophobicContact CD1-CD1 4.16Å; L161-I235 HydrophobicContact CD1-CD1 3.76Å
162	E	92.8	Very high	89.7	Confident	3 Å²	3	39.8 Å²	39.8	1%	0.014	19%	0.185	C	C	.	.	H	α-helix	trans	-57.8	-45.4	174.1	170.1	171.9	-154.4	0	0	111.2	L158 F159 Y160 V165 L166 M184 R419 L420	L158-E162 PolarHBondContact O-N 3.06Å; F159-E162 WeakPolarHBondContact O-CB 3.37Å; F159-E162 PolarHBondContact O-N 3.44Å; Y160-E162 VanDerWaalsContact C-N 3.3Å; Y160-E162 PolarHBondContact O-N 3.16Å; E162-V165 PolarHBondContact O-N 2.84Å; E162-L166 HydrophobicContact CG-CD1 4.11Å; E162-L166 WeakPolarHBondContact O-CG 3.49Å; E162-L166 PolarHBondContact O-N 3.01Å; E162-M184 HydrophobicContact CB-CE 4.28Å; E162-R419 VanDerWaalsContact OE1-CA 3.29Å; E162-R419 WeakPolarHBondContact OE1-CA 3.32Å; E162-R419 IonicContact OE1-NE 3.66Å; E162-R419 PolarHBondContact OE1-NE 2.93Å; E162-R419 IonicContact OE2-CZ 3.4Å; E162-R419 IonicContact OE2-NE 3.29Å; E162-R419 PolarHBondContact OE2-NE 3.19Å; E162-R419 IonicContact OE2-NH2 2.71Å; E162-L420 HydrophobicContact CB-CD1 4.32Å; E162-L420 HydrophobicContact CG-CB 4.37Å; E162-L420 HydrophobicContact CG-CD1 3.81Å; E162-L420 HydrophobicContact CG-CG 3.88Å; E162-L420 PolarHBondContact OE1-N 3.11Å
163	Q	93.6	Very high	89.6	Confident	3 Å²	3	44.1 Å²	44.1	1%	0.014	21%	0.207	C	C	.	.	H	α-helix	trans	-64.5	-39.6	175.9	-63.3	-48.4	-52.8	0	0	112.9	F159 Y160 L161 V165 L166 K167 L417 K418 F437 V451	F159-Q163 WeakPolarHBondContact O-CG 3.33Å; F159-Q163 PolarHBondContact O-N 3.42Å; Y160-Q163 PolarHBondContact O-N 3.44Å; Y160-Q163 VanDerWaalsContact O-N 3.13Å; L161-Q163 VanDerWaalsContact C-N 3.33Å; L161-Q163 PolarHBondContact O-N 2.81Å; Q163-V165 VanDerWaalsContact C-N 3.32Å; Q163-V165 PolarHBondContact O-N 3.02Å; Q163-L166 PolarHBondContact O-N 2.79Å; Q163-K167 WeakPolarHBondContact O-CB 3.39Å; Q163-K167 PolarHBondContact O-N 2.81Å; Q163-L417 HydrophobicContact CG-CD1 4.11Å; Q163-K418 PolarHBondContact NE2-O 2.93Å; Q163-F437 HydrophobicContact CG-CE1 4.14Å; Q163-F437 HydrophobicContact CG-CZ 3.96Å; Q163-V451 HydrophobicContact CB-CB 4.33Å; Q163-V451 HydrophobicContact CB-CG1 3.92Å; Q163-V451 HydrophobicContact CB-CG2 3.76Å; Q163-V451 HydrophobicContact CG-CG1 3.78Å; Q163-V451 HydrophobicContact CG-CG2 4.24Å
164	L	93.3	Very high	89.7	Confident	2 Å²	2	38.5 Å²	38.5	1%	0.01	18%	0.178	C	C	.	.	H	α-helix	trans	-58.4	-44.8	174.7	-71.9	-179.7	0	0	0	111.6	Y160 L161 Q168 Y200 K204 D450	Y160-L164 HydrophobicContact CD1-CD1 3.97Å; Y160-L164 HydrophobicContact CD1-CG 4.33Å; Y160-L164 HydrophobicContact CE1-CD1 3.61Å; Y160-L164 HydrophobicContact CE1-CD2 4.27Å; Y160-L164 HydrophobicContact CE1-CG 4.01Å; Y160-L164 HydrophobicContact CE2-CD2 4.24Å; Y160-L164 HydrophobicContact CE2-CG 4.32Å; Y160-L164 WeakPolarHBondContact O-CG 3.23Å; Y160-L164 PolarHBondContact O-N 2.89Å; L161-L164 WeakPolarHBondContact O-CB 3.35Å; L161-L164 PolarHBondContact O-N 2.8Å; L164-Q168 PolarHBondContact O-N 2.82Å; L164-Y200 HydrophobicContact CB-CE1 3.96Å; L164-K204 HydrophobicContact CD1-CB 3.88Å; L164-K204 HydrophobicContact CD1-CG 4.27Å; L164-K204 HydrophobicContact CD2-CG 4.37Å; L164-D450 HydrophobicContact CD2-CB 3.68Å
165	V	92.5	Very high	89.6	Confident	1 Å²	1	40.8 Å²	40.8	1%	0.006	19%	0.191	C	C	.	.	H	α-helix	trans	-66.1	-41.6	178.1	170.8	0	0	0	0	111.5	L161 E162 Q163 N169 L170 Y171 F186 L197 L420	L161-V165 HydrophobicContact CD2-CG2 4.09Å; L161-V165 WeakPolarHBondContact O-CG2 3.47Å; L161-V165 PolarHBondContact O-N 2.78Å; E162-V165 PolarHBondContact O-N 2.84Å; Q163-V165 VanDerWaalsContact C-N 3.32Å; Q163-V165 PolarHBondContact O-N 3.02Å; V165-N169 PolarHBondContact O-N 2.88Å; V165-N169 VanDerWaalsContact O-N 3.14Å; V165-L170 HydrophobicContact CG1-CB 4.3Å; V165-L170 PolarHBondContact O-N 3.3Å; V165-Y171 HydrophobicContact CG1-CD1 4.42Å; V165-F186 HydrophobicContact CG1-CE1 4.03Å; V165-F186 HydrophobicContact CG2-CE1 4.4Å; V165-F186 HydrophobicContact CG2-CZ 4.14Å; V165-L197 HydrophobicContact CG2-CD1 3.9Å; V165-L420 HydrophobicContact CG1-CD1 4.37Å; V165-L420 HydrophobicContact CG1-CD2 4.41Å
166	L	92.1	Very high	89.4	Confident	24 Å²	24	40.4 Å²	40.4	13%	0.126	19%	0.19	C	C	.	.	H	α-helix	trans	-63.9	-46.6	178	-76.6	169.2	0	0	0	111.8	E162 Q163 Q168 N169 Y171 K418 L420	E162-L166 HydrophobicContact CG-CD1 4.11Å; E162-L166 WeakPolarHBondContact O-CG 3.49Å; E162-L166 PolarHBondContact O-N 3.01Å; Q163-L166 PolarHBondContact O-N 2.79Å; L166-Q168 VanDerWaalsContact C-N 3.35Å; L166-Q168 PolarHBondContact O-N 2.85Å; L166-N169 PolarHBondContact O-N 2.75Å; L166-N169 VanDerWaalsContact O-N 3.08Å; L166-Y171 HydrophobicContact CD2-CD1 4.03Å; L166-Y171 HydrophobicContact CD2-CE1 3.77Å; L166-K418 HydrophobicContact CD1-CB 4.28Å; L166-K418 WeakPolarHBondContact CD1-O 3.41Å; L166-L420 HydrophobicContact CD1-CG 4.46Å; L166-L420 HydrophobicContact CD2-CD2 3.56Å; L166-L420 HydrophobicContact CD2-CG 4.04Å; L166-L420 HydrophobicContact CG-CD2 3.97Å; L166-L420 HydrophobicContact CG-CG 4.05Å
167	K	90.9	Very high	89.4	Confident	59 Å²	59	41.1 Å²	41.1	26%	0.257	19%	0.194	S	C	.	.	H	α-helix	trans	-60	-43.3	-178.4	-175.2	173.2	-178.7	-169.9	0	112.3	Q163 N169 Q449 D450	Q163-K167 WeakPolarHBondContact O-CB 3.39Å; Q163-K167 PolarHBondContact O-N 2.81Å; K167-N169 VanDerWaalsContact C-N 3.3Å; K167-N169 PolarHBondContact O-N 3.05Å; K167-Q449 PolarHBondContact NZ-O 2.88Å; K167-D450 VanDerWaalsContact CD-C 3.46Å; K167-D450 WeakPolarHBondContact CD-O 3.24Å
168	Q	89.4	Confident	89.4	Confident	97 Å²	97	43.5 Å²	43.5	45%	0.453	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	0.2	177.9	-66.2	-58.6	-27.4	0	0	114.3	L164 L166 L170 Y200	L164-Q168 PolarHBondContact O-N 2.82Å; L166-Q168 VanDerWaalsContact C-N 3.35Å; L166-Q168 PolarHBondContact O-N 2.85Å; Q168-L170 HydrophobicContact CB-CD1 4.13Å; Q168-L170 HydrophobicContact CB-CG 3.85Å; Q168-L170 PolarHBondContact O-N 3.04Å; Q168-L170 VanDerWaalsContact O-N 3.14Å; Q168-Y200 HydrophobicContact CB-CE1 4.32Å; Q168-Y200 HydrophobicContact CG-CD1 4.46Å; Q168-Y200 HydrophobicContact CG-CD2 4.3Å; Q168-Y200 HydrophobicContact CG-CE1 3.72Å; Q168-Y200 HydrophobicContact CG-CE2 3.59Å; Q168-Y200 VanDerWaalsContact CG-OH 3.27Å; Q168-Y200 WeakPolarHBondContact CG-OH 3.06Å
169	N	89.2	Confident	89.2	Confident	58 Å²	58	46.3 Å²	46.3	31%	0.31	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	26.8	-176.8	-65.2	-77.7	0	0	0	114.4	V165 L166 K167 Y171 R172	V165-N169 PolarHBondContact O-N 2.88Å; V165-N169 VanDerWaalsContact O-N 3.14Å; L166-N169 PolarHBondContact O-N 2.75Å; L166-N169 VanDerWaalsContact O-N 3.08Å; K167-N169 VanDerWaalsContact C-N 3.3Å; K167-N169 PolarHBondContact O-N 3.05Å; N169-Y171 HydrophobicContact CB-CE1 4.37Å; N169-Y171 PolarHBondContact O-N 3.34Å; N169-Y171 VanDerWaalsContact O-N 3.15Å; N169-Y171 PolarHBondContact OD1-OH 3.3Å; N169-R172 HydrophobicContact CB-CG 4.13Å; N169-R172 PolarHBondContact O-N 3.4Å; N169-R172 VanDerWaalsContact O-N 3.16Å; N169-R172 PolarHBondContact OD1-NE 3.01Å; N169-R172 VanDerWaalsContact OD1-NE 3.13Å; N169-R172 PolarHBondContact OD1-NH2 3.28Å
170	L	86.7	Confident	88.9	Confident	38 Å²	38	47.9 Å²	47.9	20%	0.199	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-15.9	-178.3	-70	173.5	0	0	0	113.1	V165 Q168 Y188 L197 Y200	V165-L170 HydrophobicContact CG1-CB 4.3Å; V165-L170 PolarHBondContact O-N 3.3Å; Q168-L170 HydrophobicContact CB-CD1 4.13Å; Q168-L170 HydrophobicContact CB-CG 3.85Å; Q168-L170 PolarHBondContact O-N 3.04Å; Q168-L170 VanDerWaalsContact O-N 3.14Å; L170-Y188 PolarHBondContact O-OH 3.2Å; L170-L197 HydrophobicContact CB-CD1 4.29Å; L170-L197 HydrophobicContact CD1-CD1 3.73Å; L170-Y200 HydrophobicContact CD1-CD1 3.38Å; L170-Y200 HydrophobicContact CD1-CE1 4.12Å; L170-Y200 HydrophobicContact CD1-CG 3.76Å
171	Y	85.2	Confident	88.5	Confident	79 Å²	79	51.7 Å²	51.7	31%	0.31	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-20.2	175.7	68.2	-88.3	0	0	0	113.8	V165 L166 N169 N173 C174 L420	V165-Y171 HydrophobicContact CG1-CD1 4.42Å; L166-Y171 HydrophobicContact CD2-CD1 4.03Å; L166-Y171 HydrophobicContact CD2-CE1 3.77Å; N169-Y171 HydrophobicContact CB-CE1 4.37Å; N169-Y171 PolarHBondContact O-N 3.34Å; N169-Y171 VanDerWaalsContact O-N 3.15Å; N169-Y171 PolarHBondContact OD1-OH 3.3Å; Y171-N173 VanDerWaalsContact C-N 3.26Å; Y171-N173 PolarHBondContact O-N 3.45Å; Y171-C174 VanDerWaalsContact O-CB 3.25Å; Y171-C174 WeakPolarHBondContact O-CB 3.44Å; Y171-C174 PolarHBondContact O-N 2.92Å; Y171-L420 HydrophobicContact CD1-CD2 4.04Å; Y171-L420 HydrophobicContact CD2-CD2 4.44Å; Y171-L420 HydrophobicContact CG-CD2 3.82Å
172	R	85	Confident	88.3	Confident	172 Å²	172	55.7 Å²	55.7	65%	0.649	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-31.4	-174.4	-68.9	-174.1	-175.5	-173.7	3.1	113.5	N169	N169-R172 HydrophobicContact CB-CG 4.13Å; N169-R172 PolarHBondContact O-N 3.4Å; N169-R172 VanDerWaalsContact O-N 3.16Å; N169-R172 PolarHBondContact OD1-NE 3.01Å; N169-R172 VanDerWaalsContact OD1-NE 3.13Å; N169-R172 PolarHBondContact OD1-NH2 3.28Å
173	N	83.6	Confident	88.3	Confident	107 Å²	107	55.6 Å²	55.6	57%	0.572	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	0.4	178.8	-62.3	-15.2	0	0	0	112.3	Y171 Y188 E193	Y171-N173 VanDerWaalsContact C-N 3.26Å; Y171-N173 PolarHBondContact O-N 3.45Å; N173-Y188 HydrophobicContact CB-CD1 4.3Å; N173-Y188 HydrophobicContact CB-CE1 4.23Å; N173-Y188 VanDerWaalsContact O-CD1 3.3Å; N173-Y188 WeakPolarHBondContact O-CD1 3.5Å; N173-E193 HydrophobicContact CB-CG 4.3Å
174	C	85.8	Confident	88.2	Confident	20 Å²	20	55.8 Å²	55.8	14%	0.135	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	137.9	173.1	-64.8	0	0	0	0	109.4	Y171 I177 F187 Y188	Y171-C174 VanDerWaalsContact O-CB 3.25Å; Y171-C174 WeakPolarHBondContact O-CB 3.44Å; Y171-C174 PolarHBondContact O-N 2.92Å; C174-I177 HydrophobicContact CB-CG1 4.19Å; C174-F187 CarbonylContact C-O 3.53Å; C174-F187 WeakPolarHBondContact CA-O 3.25Å; C174-Y188 HydrophobicContact CB-CE1 4.39Å; C174-Y188 WeakPolarHBondContact SG-CE1 3.46Å; C174-Y188 PolarHBondContact SG-OH 2.95Å
175	N	84.2	Confident	88.2	Confident	62 Å²	62	56.4 Å²	56.4	33%	0.332	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	-40.8	170.5	-60.8	-19	0	0	0	110	Y141 F187 Y188 S189	Y141-N175 PolarHBondContact O-ND2 3.31Å; N175-F187 PolarHBondContact N-O 3.08Å; N175-Y188 VanDerWaalsContact ND2-C 3.33Å; N175-S189 PolarHBondContact ND2-N 2.67Å; N175-S189 VanDerWaalsContact ND2-N 3.16Å; N175-S189 PolarHBondContact ND2-OG 2.84Å; N175-S189 PolarHBondContact OD1-OG 2.83Å
176	F	84.3	Confident	88.3	Confident	55 Å²	55	56.3 Å²	56.3	24%	0.241	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.3	167.4	171.9	63.4	-69	0	0	0	109.6	Y141 N178 F187	Y141-F176 HydrophobicContact CD2-CD1 4.02Å; Y141-F176 AromaticContact CD2-CE1 3.26Å; Y141-F176 HydrophobicContact CD2-CE1 3.26Å; Y141-F176 AromaticContact CD2-CZ 4Å; Y141-F176 HydrophobicContact CD2-CZ 4Å; Y141-F176 AromaticContact CE2-CD1 3.89Å; Y141-F176 HydrophobicContact CE2-CD1 3.89Å; Y141-F176 AromaticContact CE2-CE1 2.85Å; Y141-F176 HydrophobicContact CE2-CE1 2.85Å; Y141-F176 HydrophobicContact CE2-CE2 4.29Å; Y141-F176 AromaticContact CE2-CZ 3.09Å; Y141-F176 HydrophobicContact CE2-CZ 3.09Å; Y141-F176 HydrophobicContact CG-CE1 4.4Å; Y141-F176 AromaticContact CZ-CE1 3.66Å; Y141-F176 AromaticContact CZ-CZ 3.56Å; Y141-F176 WeakPolarHBondContact OH-CZ 3.07Å; F176-N178 WeakPolarHBondContact CD2-OD1 3.37Å; F176-N178 WeakPolarHBondContact CE2-OD1 3.44Å; F176-F187 HydrophobicContact CD1-CB 3.95Å; F176-F187 HydrophobicContact CD1-CD2 4.35Å; F176-F187 HydrophobicContact CD1-CG 4.36Å; F176-F187 AromaticContact CD2-CD2 3.85Å; F176-F187 HydrophobicContact CD2-CD2 3.85Å; F176-F187 HydrophobicContact CD2-CE2 4.27Å; F176-F187 HydrophobicContact CE1-CB 3.3Å; F176-F187 HydrophobicContact CE1-CD1 4.16Å; F176-F187 AromaticContact CE1-CD2 3.66Å; F176-F187 HydrophobicContact CE1-CD2 3.66Å; F176-F187 HydrophobicContact CE1-CE2 4.49Å; F176-F187 AromaticContact CE1-CG 3.44Å; F176-F187 HydrophobicContact CE1-CG 3.44Å; F176-F187 VanDerWaalsContact CE1-CG 3.44Å; F176-F187 HydrophobicContact CE2-CB 4.47Å; F176-F187 AromaticContact CE2-CD2 3.21Å; F176-F187 HydrophobicContact CE2-CD2 3.21Å; F176-F187 AromaticContact CE2-CE2 3.39Å; F176-F187 HydrophobicContact CE2-CE2 3.39Å; F176-F187 AromaticContact CE2-CG 3.86Å; F176-F187 HydrophobicContact CE2-CG 3.86Å; F176-F187 HydrophobicContact CE2-CZ 4.17Å; F176-F187 HydrophobicContact CG-CD2 4.37Å; F176-F187 HydrophobicContact CZ-CB 3.65Å; F176-F187 AromaticContact CZ-CD1 3.72Å; F176-F187 HydrophobicContact CZ-CD1 3.72Å; F176-F187 AromaticContact CZ-CD2 3.06Å; F176-F187 HydrophobicContact CZ-CD2 3.06Å; F176-F187 HydrophobicContact CZ-CE1 4.09Å; F176-F187 AromaticContact CZ-CE2 3.49Å; F176-F187 HydrophobicContact CZ-CE2 3.49Å; F176-F187 VanDerWaalsContact CZ-CE2 3.49Å; F176-F187 AromaticContact CZ-CG 3.17Å; F176-F187 HydrophobicContact CZ-CG 3.17Å; F176-F187 AromaticContact CZ-CZ 3.98Å; F176-F187 HydrophobicContact CZ-CZ 3.98Å; F176-F187 PolarHBondContact O-N 3.46Å
177	I	88.9	Confident	88.3	Confident	21 Å²	21	56 Å²	56	11%	0.108	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	127.3	-177.3	-57.6	170.8	0	0	0	107.8	C174 D185 F186 L420 Q421	C174-I177 HydrophobicContact CB-CG1 4.19Å; I177-D185 CarbonylContact C-O 3.55Å; I177-D185 WeakPolarHBondContact CA-O 3.16Å; I177-F186 HydrophobicContact CD1-CD1 3.94Å; I177-F186 HydrophobicContact CD1-CE1 3.77Å; I177-F186 HydrophobicContact CG1-CD1 3.78Å; I177-F186 HydrophobicContact CG1-CE1 4.03Å; I177-F186 HydrophobicContact CG2-CD1 4.18Å; I177-F186 HydrophobicContact CG2-CE1 3.99Å; I177-F186 HydrophobicContact CG2-CZ 4.4Å; I177-L420 HydrophobicContact CD1-CD1 4.25Å; I177-L420 HydrophobicContact CD1-CD2 4.03Å; I177-Q421 PolarHBondContact O-NE2 3.49Å; I177-Q421 VanDerWaalsContact O-NE2 3.08Å
178	N	89.3	Confident	88.4	Confident	71 Å²	71	53.3 Å²	53.3	38%	0.38	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	122.5	172.8	-69.7	-13.5	0	0	0	109.6	F176 M184 D185 F187	F176-N178 WeakPolarHBondContact CD2-OD1 3.37Å; F176-N178 WeakPolarHBondContact CE2-OD1 3.44Å; N178-M184 CarbonylContact O-C 3.6Å; N178-M184 WeakPolarHBondContact O-CA 3.34Å; N178-D185 HydrophobicContact CB-CB 4.22Å; N178-D185 PolarHBondContact N-O 3.02Å; N178-D185 PolarHBondContact O-N 2.66Å; N178-F187 HydrophobicContact CB-CE2 4.32Å
179	Q	86.8	Confident	88.4	Confident	73 Å²	73	51.9 Å²	51.9	34%	0.341	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	136.1	170.6	-60.2	-167.5	18.8	0	0	110	M184	Q179-M184 HydrophobicContact CG-CG 4.39Å
180	T	87.2	Confident	88.4	Confident	41 Å²	41	50 Å²	50	25%	0.252	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	161.4	173.9	62.2	0	0	0	0	109.2	D182 G183	T180-D182 VanDerWaalsContact C-N 3.27Å; T180-D182 PolarHBondContact O-N 3.26Å; T180-G183 CarbonylContact C-O 3.57Å; T180-G183 WeakPolarHBondContact CA-O 3.33Å; T180-G183 PolarHBondContact N-O 3Å; T180-G183 PolarHBondContact O-N 2.97Å; T180-G183 PolarHBondContact OG1-N 3.32Å; T180-G183 PolarHBondContact OG1-O 2.8Å
181	P	84.4	Confident	88.6	Confident	98 Å²	98	52.4 Å²	52.4	64%	0.636	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-41.8	179	-28	36	0	0	0	113.6	K155	K155-P181 WeakPolarHBondContact CE-O 3.33Å
182	D	88.7	Confident	89	Confident	86 Å²	86	55.1 Å²	55.1	46%	0.46	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	14.2	-175.1	-57.9	-22	0	0	0	113.4	R149 Q150 T180	R149-D182 WeakPolarHBondContact CA-O 3.37Å; Q150-D182 PolarHBondContact N-O 3.02Å; T180-D182 VanDerWaalsContact C-N 3.27Å; T180-D182 PolarHBondContact O-N 3.26Å
183	G	92.2	Very high	89.4	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	157.1	-156.3	-179.1	0	0	0	0	0	115.4	I148 T180	I148-G183 CarbonylContact O-C 3.54Å; I148-G183 VanDerWaalsContact O-CA 3.29Å; I148-G183 WeakPolarHBondContact O-CA 3.43Å; T180-G183 CarbonylContact C-O 3.57Å; T180-G183 WeakPolarHBondContact CA-O 3.33Å; T180-G183 PolarHBondContact N-O 3Å; T180-G183 PolarHBondContact O-N 2.97Å; T180-G183 PolarHBondContact OG1-N 3.32Å; T180-G183 PolarHBondContact OG1-O 2.8Å
184	M	92.3	Very high	89.9	Confident	8 Å²	8	45.1 Å²	45.1	4%	0.039	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	147.8	-173.6	-60.9	175	-122.5	0	0	111.3	I148 R149 L158 L161 E162 N178 Q179 F186	I148-M184 PolarHBondContact N-O 2.72Å; I148-M184 PolarHBondContact O-N 3.32Å; R149-M184 PolarHBondContact NH1-O 3.34Å; L158-M184 HydrophobicContact CB-CE 3.89Å; L158-M184 HydrophobicContact CD2-CE 4.31Å; L158-M184 WeakPolarHBondContact O-CE 3.3Å; L161-M184 HydrophobicContact CD2-CE 3.86Å; L161-M184 HydrophobicContact CD2-SD 4.32Å; E162-M184 HydrophobicContact CB-CE 4.28Å; N178-M184 CarbonylContact O-C 3.6Å; N178-M184 WeakPolarHBondContact O-CA 3.34Å; Q179-M184 HydrophobicContact CG-CG 4.39Å; M184-F186 HydrophobicContact CB-CD2 4.47Å; M184-F186 HydrophobicContact CB-CE2 3.75Å; M184-F186 HydrophobicContact CB-CZ 4.2Å; M184-F186 HydrophobicContact SD-CZ 4.15Å
185	D	93.9	Very high	90.4	Very high	14 Å²	14	46.9 Å²	46.9	8%	0.075	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	126	173.7	-63.4	-28.1	0	0	0	110.4	V146 Q147 R149 I177 N178 F187	V146-D185 WeakPolarHBondContact O-CA 3.43Å; Q147-D185 VanDerWaalsContact CA-OD1 3.27Å; Q147-D185 WeakPolarHBondContact CA-OD1 3.33Å; Q147-D185 VanDerWaalsContact CB-OD1 3.3Å; Q147-D185 WeakPolarHBondContact CB-OD1 3.37Å; Q147-D185 WeakPolarHBondContact CG-OD1 3.45Å; R149-D185 IonicContact CZ-OD1 3.96Å; R149-D185 IonicContact NH1-OD1 3.28Å; R149-D185 PolarHBondContact NH1-OD1 3.27Å; R149-D185 IonicContact NH2-OD1 3.59Å; R149-D185 PolarHBondContact NH2-OD1 2.9Å; R149-D185 IonicContact NH2-OD2 2.72Å; R149-D185 PolarHBondContact NH2-OD2 3.3Å; I177-D185 CarbonylContact C-O 3.55Å; I177-D185 WeakPolarHBondContact CA-O 3.16Å; N178-D185 HydrophobicContact CB-CB 4.22Å; N178-D185 PolarHBondContact N-O 3.02Å; N178-D185 PolarHBondContact O-N 2.66Å; D185-F187 HydrophobicContact CB-CD2 4.42Å; D185-F187 HydrophobicContact CB-CE2 3.59Å; D185-F187 HydrophobicContact CB-CZ 3.96Å
186	F	94.4	Very high	90.9	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	127.7	176.2	-61.3	-95.8	0	0	0	109.4	C145 V146 I148 L161 V165 I177 M184 Y188 L197 L420	C145-F186 CarbonylContact C-O 3.54Å; C145-F186 WeakPolarHBondContact CA-O 3.5Å; V146-F186 HydrophobicContact CB-CB 4.37Å; V146-F186 PolarHBondContact N-O 2.8Å; V146-F186 PolarHBondContact O-N 3.38Å; I148-F186 HydrophobicContact CD1-CD2 4.18Å; I148-F186 HydrophobicContact CD1-CE2 3.89Å; I148-F186 HydrophobicContact CG1-CD2 4.48Å; I148-F186 HydrophobicContact CG1-CE2 4.45Å; L161-F186 HydrophobicContact CD2-CE2 4.35Å; L161-F186 HydrophobicContact CD2-CZ 4.29Å; V165-F186 HydrophobicContact CG1-CE1 4.03Å; V165-F186 HydrophobicContact CG2-CE1 4.4Å; V165-F186 HydrophobicContact CG2-CZ 4.14Å; I177-F186 HydrophobicContact CD1-CD1 3.94Å; I177-F186 HydrophobicContact CD1-CE1 3.77Å; I177-F186 HydrophobicContact CG1-CD1 3.78Å; I177-F186 HydrophobicContact CG1-CE1 4.03Å; I177-F186 HydrophobicContact CG2-CD1 4.18Å; I177-F186 HydrophobicContact CG2-CE1 3.99Å; I177-F186 HydrophobicContact CG2-CZ 4.4Å; M184-F186 HydrophobicContact CB-CD2 4.47Å; M184-F186 HydrophobicContact CB-CE2 3.75Å; M184-F186 HydrophobicContact CB-CZ 4.2Å; M184-F186 HydrophobicContact SD-CZ 4.15Å; F186-Y188 HydrophobicContact CB-CD2 4.39Å; F186-Y188 HydrophobicContact CB-CE2 3.69Å; F186-L197 HydrophobicContact CB-CD2 3.72Å; F186-L197 HydrophobicContact CD1-CD2 4.04Å; F186-L197 HydrophobicContact CD2-CD2 3.57Å; F186-L197 HydrophobicContact CE2-CD2 4.18Å; F186-L197 HydrophobicContact CG-CD2 3.49Å; F186-L197 VanDerWaalsContact CG-CD2 3.49Å; F186-L420 HydrophobicContact CE1-CD1 4.4Å
187	F	92.7	Very high	91.4	Very high	17 Å²	17	43.1 Å²	43.1	8%	0.075	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	129.6	-179.3	-63.1	-90.3	0	0	0	110.3	W142 C145 C174 N175 F176 N178 D185	W142-F187 HydrophobicContact CB-CB 4.11Å; W142-F187 HydrophobicContact CB-CD1 4.3Å; W142-F187 AromaticContact CD2-CD1 3.68Å; W142-F187 HydrophobicContact CD2-CD1 3.68Å; W142-F187 HydrophobicContact CD2-CE1 4.22Å; W142-F187 AromaticContact CE2-CD1 3.87Å; W142-F187 AromaticContact CE2-CE1 3.94Å; W142-F187 HydrophobicContact CE3-CD1 4.23Å; W142-F187 HydrophobicContact CG-CB 4.41Å; W142-F187 AromaticContact CG-CD1 3.72Å; W142-F187 HydrophobicContact CG-CD1 3.72Å; W142-F187 HydrophobicContact CZ2-CE1 4.25Å; C145-F187 HydrophobicContact CB-CD1 3.93Å; C145-F187 HydrophobicContact CB-CE1 4.02Å; C145-F187 WeakPolarHBondContact SG-CE1 3.3Å; C174-F187 CarbonylContact C-O 3.53Å; C174-F187 WeakPolarHBondContact CA-O 3.25Å; N175-F187 PolarHBondContact N-O 3.08Å; F176-F187 HydrophobicContact CD1-CB 3.95Å; F176-F187 HydrophobicContact CD1-CD2 4.35Å; F176-F187 HydrophobicContact CD1-CG 4.36Å; F176-F187 AromaticContact CD2-CD2 3.85Å; F176-F187 HydrophobicContact CD2-CD2 3.85Å; F176-F187 HydrophobicContact CD2-CE2 4.27Å; F176-F187 HydrophobicContact CE1-CB 3.3Å; F176-F187 HydrophobicContact CE1-CD1 4.16Å; F176-F187 AromaticContact CE1-CD2 3.66Å; F176-F187 HydrophobicContact CE1-CD2 3.66Å; F176-F187 HydrophobicContact CE1-CE2 4.49Å; F176-F187 AromaticContact CE1-CG 3.44Å; F176-F187 HydrophobicContact CE1-CG 3.44Å; F176-F187 VanDerWaalsContact CE1-CG 3.44Å; F176-F187 HydrophobicContact CE2-CB 4.47Å; F176-F187 AromaticContact CE2-CD2 3.21Å; F176-F187 HydrophobicContact CE2-CD2 3.21Å; F176-F187 AromaticContact CE2-CE2 3.39Å; F176-F187 HydrophobicContact CE2-CE2 3.39Å; F176-F187 AromaticContact CE2-CG 3.86Å; F176-F187 HydrophobicContact CE2-CG 3.86Å; F176-F187 HydrophobicContact CE2-CZ 4.17Å; F176-F187 HydrophobicContact CG-CD2 4.37Å; F176-F187 HydrophobicContact CZ-CB 3.65Å; F176-F187 AromaticContact CZ-CD1 3.72Å; F176-F187 HydrophobicContact CZ-CD1 3.72Å; F176-F187 AromaticContact CZ-CD2 3.06Å; F176-F187 HydrophobicContact CZ-CD2 3.06Å; F176-F187 HydrophobicContact CZ-CE1 4.09Å; F176-F187 AromaticContact CZ-CE2 3.49Å; F176-F187 HydrophobicContact CZ-CE2 3.49Å; F176-F187 VanDerWaalsContact CZ-CE2 3.49Å; F176-F187 AromaticContact CZ-CG 3.17Å; F176-F187 HydrophobicContact CZ-CG 3.17Å; F176-F187 AromaticContact CZ-CZ 3.98Å; F176-F187 HydrophobicContact CZ-CZ 3.98Å; F176-F187 PolarHBondContact O-N 3.46Å; N178-F187 HydrophobicContact CB-CE2 4.32Å; D185-F187 HydrophobicContact CB-CD2 4.42Å; D185-F187 HydrophobicContact CB-CE2 3.59Å; D185-F187 HydrophobicContact CB-CZ 3.96Å
188	Y	92.6	Very high	91.8	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.008	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	152.7	-176.1	-68.4	-85.5	0	0	0	111.3	W142 R143 G144 V146 L170 N173 C174 N175 F186 G190 E193 A194 L197	W142-Y188 WeakPolarHBondContact CA-O 3.42Å; R143-Y188 PolarHBondContact N-O 3.32Å; G144-Y188 PolarHBondContact N-O 3.35Å; G144-Y188 PolarHBondContact O-N 3.07Å; V146-Y188 HydrophobicContact CG2-CD2 4.49Å; V146-Y188 HydrophobicContact CG2-CE2 4.33Å; L170-Y188 PolarHBondContact O-OH 3.2Å; N173-Y188 HydrophobicContact CB-CD1 4.3Å; N173-Y188 HydrophobicContact CB-CE1 4.23Å; N173-Y188 VanDerWaalsContact O-CD1 3.3Å; N173-Y188 WeakPolarHBondContact O-CD1 3.5Å; C174-Y188 HydrophobicContact CB-CE1 4.39Å; C174-Y188 WeakPolarHBondContact SG-CE1 3.46Å; C174-Y188 PolarHBondContact SG-OH 2.95Å; N175-Y188 VanDerWaalsContact ND2-C 3.33Å; F186-Y188 HydrophobicContact CB-CD2 4.39Å; F186-Y188 HydrophobicContact CB-CE2 3.69Å; Y188-G190 VanDerWaalsContact C-N 3.32Å; Y188-E193 HydrophobicContact CD1-CB 3.47Å; Y188-E193 VanDerWaalsContact CD1-CB 3.47Å; Y188-E193 HydrophobicContact CE1-CB 3.98Å; Y188-E193 HydrophobicContact CG-CB 4.02Å; Y188-A194 VanDerWaalsContact CD2-CA 3.48Å; Y188-A194 HydrophobicContact CD2-CB 3.71Å; Y188-A194 HydrophobicContact CE2-CB 4.45Å; Y188-A194 HydrophobicContact CG-CB 4.18Å; Y188-L197 HydrophobicContact CE2-CB 4.32Å; Y188-L197 HydrophobicContact CE2-CD2 3.96Å
189	S	89.4	Confident	92.1	Very high	67 Å²	67	44 Å²	44	47%	0.469	23%	0.234	S	C	.	.	S	Bend	trans	-71	-27.7	175.7	-73	0	0	0	0	113	R143 N175	R143-S189 WeakPolarHBondContact CB-O 3.43Å; N175-S189 PolarHBondContact ND2-N 2.67Å; N175-S189 VanDerWaalsContact ND2-N 3.16Å; N175-S189 PolarHBondContact ND2-OG 2.84Å; N175-S189 PolarHBondContact OD1-OG 2.83Å
190	G	88.4	Confident	92.5	Very high	18 Å²	18	42 Å²	42	19%	0.186	22%	0.224	C	C	.	.	S	Bend	trans	-128.5	166.6	-179.3	0	0	0	0	0	113.2	Y188 E193	Y188-G190 VanDerWaalsContact C-N 3.32Å; G190-E193 WeakPolarHBondContact CA-OE2 3.25Å; G190-E193 PolarHBondContact N-OE2 2.85Å
191	K	92.3	Very high	92.8	Very high	90 Å²	90	40.1 Å²	40.1	39%	0.391	21%	0.212	S	C	.	.	H	α-helix	trans	-70.6	-38.6	176.2	178.8	-177.2	176.7	167.3	0	111.8	A194 F195 Y211 H229 Y231	K191-A194 PolarHBondContact O-N 2.87Å; K191-F195 WeakPolarHBondContact O-CB 3.27Å; K191-F195 PolarHBondContact O-N 3.16Å; K191-Y211 PolarHBondContact NZ-OH 2.99Å; K191-H229 HydrophobicContact CG-CB 4.34Å; K191-Y231 WeakPolarHBondContact CE-OH 3.4Å
192	H	93	Very high	93.4	Very high	136 Å²	136	38.7 Å²	38.7	63%	0.63	20%	0.199	S	C	*	.	H	α-helix	trans	-65.2	-47	-171.8	-177.4	-86.5	0	0	0	111	A194 F195 S196	H192-A194 VanDerWaalsContact C-N 3.34Å; H192-A194 PolarHBondContact O-N 2.91Å; H192-F195 PolarHBondContact O-N 2.78Å; H192-S196 PolarHBondContact O-N 3.21Å; H192-S196 PolarHBondContact O-OG 3Å
193	E	92	Very high	93.6	Very high	69 Å²	69	37.3 Å²	37.3	32%	0.322	20%	0.196	S	C	.	.	H	α-helix	trans	-63.5	-40.5	179	-56.3	81.6	-178.5	0	0	111.7	N173 Y188 G190 S196 L197	N173-E193 HydrophobicContact CB-CG 4.3Å; Y188-E193 HydrophobicContact CD1-CB 3.47Å; Y188-E193 VanDerWaalsContact CD1-CB 3.47Å; Y188-E193 HydrophobicContact CE1-CB 3.98Å; Y188-E193 HydrophobicContact CG-CB 4.02Å; G190-E193 WeakPolarHBondContact CA-OE2 3.25Å; G190-E193 PolarHBondContact N-OE2 2.85Å; E193-S196 PolarHBondContact O-N 3.23Å; E193-L197 PolarHBondContact O-N 3.47Å
194	A	94.4	Very high	93.7	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-61.3	-45.5	173.8	0	0	0	0	0	111.7	V146 Y188 K191 H192 L197 V198 Y231	V146-A194 HydrophobicContact CG2-CB 3.79Å; V146-A194 VanDerWaalsContact CG2-O 3.25Å; V146-A194 WeakPolarHBondContact CG2-O 3.36Å; Y188-A194 VanDerWaalsContact CD2-CA 3.48Å; Y188-A194 HydrophobicContact CD2-CB 3.71Å; Y188-A194 HydrophobicContact CE2-CB 4.45Å; Y188-A194 HydrophobicContact CG-CB 4.18Å; K191-A194 PolarHBondContact O-N 2.87Å; H192-A194 VanDerWaalsContact C-N 3.34Å; H192-A194 PolarHBondContact O-N 2.91Å; A194-L197 PolarHBondContact O-N 3.15Å; A194-V198 PolarHBondContact O-N 3.21Å; A194-Y231 HydrophobicContact CB-CD2 4.24Å; A194-Y231 HydrophobicContact CB-CE2 4.14Å
195	F	96.1	Very high	93.8	Very high	56 Å²	56	39.9 Å²	39.9	25%	0.246	21%	0.207	C	C	.	.	H	α-helix	trans	-66.6	-37.4	178.9	-174.8	-113.4	0	0	0	112.5	K191 H192 L197 V198 E199 Y231	K191-F195 WeakPolarHBondContact O-CB 3.27Å; K191-F195 PolarHBondContact O-N 3.16Å; H192-F195 PolarHBondContact O-N 2.78Å; F195-L197 VanDerWaalsContact C-N 3.27Å; F195-L197 PolarHBondContact O-N 2.97Å; F195-V198 WeakPolarHBondContact O-CB 3.35Å; F195-V198 PolarHBondContact O-N 3.23Å; F195-E199 HydrophobicContact CD1-CG 4.07Å; F195-E199 HydrophobicContact CE1-CG 3.55Å; F195-E199 WeakPolarHBondContact CE1-OE1 3.5Å; F195-E199 HydrophobicContact CE2-CG 4.08Å; F195-E199 HydrophobicContact CZ-CG 3.55Å; F195-E199 PolarHBondContact O-N 3.33Å; F195-Y231 AromaticContact CD2-CE1 3.69Å; F195-Y231 HydrophobicContact CD2-CE1 3.69Å; F195-Y231 AromaticContact CD2-CZ 3.95Å; F195-Y231 HydrophobicContact CE2-CE1 4.44Å
196	S	95.1	Very high	93.9	Very high	38 Å²	38	39.3 Å²	39.3	27%	0.266	20%	0.204	S	C	.	.	H	α-helix	trans	-58.2	-38.5	175.4	-59.3	0	0	0	0	112.5	H192 E193 Y200	H192-S196 PolarHBondContact O-N 3.21Å; H192-S196 PolarHBondContact O-OG 3Å; E193-S196 PolarHBondContact O-N 3.23Å; S196-Y200 WeakPolarHBondContact O-CB 3.27Å; S196-Y200 PolarHBondContact O-N 3.38Å
197	L	95.4	Very high	94	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-63.2	-45.8	172.8	178.2	65	0	0	0	111.2	V146 I148 V165 L170 F186 Y188 E193 A194 F195 E199 Y200 V201	V146-L197 HydrophobicContact CB-CD2 4.1Å; V146-L197 HydrophobicContact CG1-CD2 4.15Å; V146-L197 HydrophobicContact CG2-CD2 4.27Å; I148-L197 HydrophobicContact CD1-CD2 4.49Å; V165-L197 HydrophobicContact CG2-CD1 3.9Å; L170-L197 HydrophobicContact CB-CD1 4.29Å; L170-L197 HydrophobicContact CD1-CD1 3.73Å; F186-L197 HydrophobicContact CB-CD2 3.72Å; F186-L197 HydrophobicContact CD1-CD2 4.04Å; F186-L197 HydrophobicContact CD2-CD2 3.57Å; F186-L197 HydrophobicContact CE2-CD2 4.18Å; F186-L197 HydrophobicContact CG-CD2 3.49Å; F186-L197 VanDerWaalsContact CG-CD2 3.49Å; Y188-L197 HydrophobicContact CE2-CB 4.32Å; Y188-L197 HydrophobicContact CE2-CD2 3.96Å; E193-L197 PolarHBondContact O-N 3.47Å; A194-L197 PolarHBondContact O-N 3.15Å; F195-L197 VanDerWaalsContact C-N 3.27Å; F195-L197 PolarHBondContact O-N 2.97Å; L197-E199 PolarHBondContact O-N 3.16Å; L197-Y200 PolarHBondContact O-N 2.89Å; L197-V201 HydrophobicContact CD1-CG2 4.01Å; L197-V201 HydrophobicContact CG-CG2 4.39Å; L197-V201 VanDerWaalsContact O-CG2 3.31Å; L197-V201 WeakPolarHBondContact O-CG2 3.44Å; L197-V201 PolarHBondContact O-N 3.2Å
198	V	96.6	Very high	94.1	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.006	22%	0.221	C	C	.	.	H	α-helix	trans	-59.1	-46.5	178.8	176.9	0	0	0	0	111.4	V146 A194 F195 Y200 V201 N202 Y209 Y231 V233	V146-V198 HydrophobicContact CB-CG2 4.47Å; V146-V198 HydrophobicContact CG1-CG2 3.68Å; V146-V198 HydrophobicContact CG2-CG2 3.92Å; A194-V198 PolarHBondContact O-N 3.21Å; F195-V198 WeakPolarHBondContact O-CB 3.35Å; F195-V198 PolarHBondContact O-N 3.23Å; V198-Y200 VanDerWaalsContact C-N 3.35Å; V198-Y200 PolarHBondContact O-N 2.97Å; V198-V201 PolarHBondContact O-N 3.3Å; V198-N202 VanDerWaalsContact O-CB 3.27Å; V198-N202 WeakPolarHBondContact O-CB 3.45Å; V198-N202 PolarHBondContact O-N 2.87Å; V198-Y209 HydrophobicContact CG1-CD1 3.62Å; V198-Y209 HydrophobicContact CG1-CD2 4.09Å; V198-Y209 HydrophobicContact CG1-CE1 3.98Å; V198-Y209 HydrophobicContact CG1-CE2 4.42Å; V198-Y209 HydrophobicContact CG1-CG 3.69Å; V198-Y231 HydrophobicContact CG2-CD1 4.05Å; V198-Y231 HydrophobicContact CG2-CD2 4.46Å; V198-Y231 HydrophobicContact CG2-CG 3.84Å; V198-V233 HydrophobicContact CG1-CG2 4.27Å; V198-V233 HydrophobicContact CG2-CG2 4.05Å
199	E	95.7	Very high	94.3	Very high	109 Å²	109	48.4 Å²	48.4	51%	0.509	24%	0.239	S	C	.	.	H	α-helix	trans	-63.1	-41	177.6	-72.1	-164	127.1	0	0	112.3	F195 L197 N202 S203	F195-E199 HydrophobicContact CD1-CG 4.07Å; F195-E199 HydrophobicContact CE1-CG 3.55Å; F195-E199 WeakPolarHBondContact CE1-OE1 3.5Å; F195-E199 HydrophobicContact CE2-CG 4.08Å; F195-E199 HydrophobicContact CZ-CG 3.55Å; F195-E199 PolarHBondContact O-N 3.33Å; L197-E199 PolarHBondContact O-N 3.16Å; E199-N202 PolarHBondContact O-N 3.14Å; E199-S203 PolarHBondContact O-N 3.41Å
200	Y	95.2	Very high	94.7	Very high	33 Å²	33	52.2 Å²	52.2	13%	0.129	25%	0.247	C	C	.	.	H	α-helix	trans	-63	-48.7	177.9	-179.1	-113.7	0	0	0	111.7	L164 Q168 L170 S196 L197 V198 N202 S203 K204	L164-Y200 HydrophobicContact CB-CE1 3.96Å; Q168-Y200 HydrophobicContact CB-CE1 4.32Å; Q168-Y200 HydrophobicContact CG-CD1 4.46Å; Q168-Y200 HydrophobicContact CG-CD2 4.3Å; Q168-Y200 HydrophobicContact CG-CE1 3.72Å; Q168-Y200 HydrophobicContact CG-CE2 3.59Å; Q168-Y200 VanDerWaalsContact CG-OH 3.27Å; Q168-Y200 WeakPolarHBondContact CG-OH 3.06Å; L170-Y200 HydrophobicContact CD1-CD1 3.38Å; L170-Y200 HydrophobicContact CD1-CE1 4.12Å; L170-Y200 HydrophobicContact CD1-CG 3.76Å; S196-Y200 WeakPolarHBondContact O-CB 3.27Å; S196-Y200 PolarHBondContact O-N 3.38Å; L197-Y200 PolarHBondContact O-N 2.89Å; V198-Y200 VanDerWaalsContact C-N 3.35Å; V198-Y200 PolarHBondContact O-N 2.97Å; Y200-N202 VanDerWaalsContact C-N 3.31Å; Y200-N202 PolarHBondContact O-N 3.08Å; Y200-S203 WeakPolarHBondContact O-CB 3.37Å; Y200-S203 PolarHBondContact O-N 3.1Å; Y200-S203 PolarHBondContact O-OG 3.28Å; Y200-K204 HydrophobicContact CE2-CG 4.24Å; Y200-K204 PolarHBondContact O-N 3.39Å
201	V	94.8	Very high	95.1	Very high	1 Å²	1	55.6 Å²	55.6	1%	0.006	26%	0.255	C	S	.	.	H	α-helix	trans	-65.5	-37.3	179	-171.4	0	0	0	0	110.7	I148 L161 L197 V198 S203 K204 L205 M207	I148-V201 HydrophobicContact CD1-CG2 4.11Å; L161-V201 HydrophobicContact CD1-CG1 3.95Å; L197-V201 HydrophobicContact CD1-CG2 4.01Å; L197-V201 HydrophobicContact CG-CG2 4.39Å; L197-V201 VanDerWaalsContact O-CG2 3.31Å; L197-V201 WeakPolarHBondContact O-CG2 3.44Å; L197-V201 PolarHBondContact O-N 3.2Å; V198-V201 PolarHBondContact O-N 3.3Å; V201-S203 PolarHBondContact O-N 2.64Å; V201-K204 PolarHBondContact O-N 3.05Å; V201-K204 VanDerWaalsContact O-N 3.1Å; V201-L205 HydrophobicContact CG1-CB 4.37Å; V201-L205 HydrophobicContact CG1-CD1 3.96Å; V201-L205 PolarHBondContact O-N 3.18Å; V201-M207 HydrophobicContact CB-CE 3.48Å; V201-M207 VanDerWaalsContact CB-CE 3.48Å; V201-M207 HydrophobicContact CG1-CE 3.19Å
202	N	95.4	Very high	95.4	Very high	67 Å²	67	54.6 Å²	54.6	36%	0.358	26%	0.259	S	S	.	.	H	α-helix	trans	-63.5	-24.6	173.5	-174.1	53.9	0	0	0	113.6	V198 E199 Y200 M207	V198-N202 VanDerWaalsContact O-CB 3.27Å; V198-N202 WeakPolarHBondContact O-CB 3.45Å; V198-N202 PolarHBondContact O-N 2.87Å; E199-N202 PolarHBondContact O-N 3.14Å; Y200-N202 VanDerWaalsContact C-N 3.31Å; Y200-N202 PolarHBondContact O-N 3.08Å; N202-M207 HydrophobicContact CB-CG 4.1Å; N202-M207 HydrophobicContact CB-SD 3.91Å
203	S	94.7	Very high	95.5	Very high	57 Å²	57	53.1 Å²	53.1	40%	0.399	25%	0.253	S	S	.	.	H	α-helix	trans	-76.5	-23.9	174.6	81	0	0	0	0	113.3	E199 Y200 V201	E199-S203 PolarHBondContact O-N 3.41Å; Y200-S203 WeakPolarHBondContact O-CB 3.37Å; Y200-S203 PolarHBondContact O-N 3.1Å; Y200-S203 PolarHBondContact O-OG 3.28Å; V201-S203 PolarHBondContact O-N 2.64Å
204	K	93.8	Very high	95.5	Very high	55 Å²	55	56.1 Å²	56.1	24%	0.239	27%	0.267	C	S	.	.	H	α-helix	trans	-109.5	-28.4	-172	-67.3	-60.7	-168.4	164.5	0	114.8	L164 Y200 V201 G267 K268 D450	L164-K204 HydrophobicContact CD1-CB 3.88Å; L164-K204 HydrophobicContact CD1-CG 4.27Å; L164-K204 HydrophobicContact CD2-CG 4.37Å; Y200-K204 HydrophobicContact CE2-CG 4.24Å; Y200-K204 PolarHBondContact O-N 3.39Å; V201-K204 PolarHBondContact O-N 3.05Å; V201-K204 VanDerWaalsContact O-N 3.1Å; K204-G267 CarbonylContact O-C 3.46Å; K204-G267 VanDerWaalsContact O-CA 3.32Å; K204-G267 WeakPolarHBondContact O-CA 3.45Å; K204-K268 PolarHBondContact O-N 3.05Å; K204-D450 IonicContact NZ-OD1 3.9Å; K204-D450 PolarHBondContact NZ-OD1 3.05Å; K204-D450 IonicContact NZ-OD2 3.27Å; K204-D450 PolarHBondContact NZ-OD2 3.35Å
205	L	94.8	Very high	95.4	Very high	7 Å²	7	60.2 Å²	60.2	4%	0.037	29%	0.288	C	S	.	.	S	Bend	trans	-128.4	152.4	-173.8	-66.5	177.1	0	0	0	111.9	Y160 L161 V201 M207 I235 I266 G267	Y160-L205 HydrophobicContact CD1-CD2 4.22Å; Y160-L205 HydrophobicContact CE1-CD2 4.18Å; L161-L205 HydrophobicContact CD1-CD1 4.16Å; V201-L205 HydrophobicContact CG1-CB 4.37Å; V201-L205 HydrophobicContact CG1-CD1 3.96Å; V201-L205 PolarHBondContact O-N 3.18Å; L205-M207 PolarHBondContact O-N 3.5Å; L205-M207 VanDerWaalsContact O-N 3.16Å; L205-I235 HydrophobicContact CD1-CD1 3.96Å; L205-I266 HydrophobicContact CD2-CG2 4.4Å; L205-G267 WeakPolarHBondContact CA-O 3.29Å
206	P	95.3	Very high	95	Very high	2 Å²	2	60.4 Å²	60.4	1%	0.013	29%	0.294	C	S	.	.			trans	-80.2	103.7	177.4	27.4	-16.2	0	0	0	108.5	A236 I266 G267 I270 A285	P206-A236 HydrophobicContact CB-CB 4.35Å; P206-A236 HydrophobicContact CG-CB 4.16Å; P206-A236 WeakPolarHBondContact O-CB 3.49Å; P206-A236 PolarHBondContact O-N 3.44Å; P206-I266 HydrophobicContact CG-CG2 3.87Å; P206-G267 WeakPolarHBondContact CD-O 3.39Å; P206-I270 HydrophobicContact CB-CD1 4.49Å; P206-I270 HydrophobicContact CB-CG1 4.12Å; P206-I270 HydrophobicContact CG-CD1 4.37Å; P206-I270 HydrophobicContact CG-CG1 3.81Å; P206-A285 HydrophobicContact CB-CB 4.06Å
207	M	95.8	Very high	94.6	Very high	7 Å²	7	60.7 Å²	60.7	3%	0.034	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	171.9	-175.5	68.1	143.4	65.3	0	0	112.9	V201 N202 L205 V233 E234 I235 W289	V201-M207 HydrophobicContact CB-CE 3.48Å; V201-M207 VanDerWaalsContact CB-CE 3.48Å; V201-M207 HydrophobicContact CG1-CE 3.19Å; N202-M207 HydrophobicContact CB-CG 4.1Å; N202-M207 HydrophobicContact CB-SD 3.91Å; L205-M207 PolarHBondContact O-N 3.5Å; L205-M207 VanDerWaalsContact O-N 3.16Å; M207-V233 HydrophobicContact CE-CB 4.39Å; M207-V233 HydrophobicContact CE-CG1 3.08Å; M207-V233 HydrophobicContact CE-CG2 4.49Å; M207-V233 HydrophobicContact SD-CG1 3.65Å; M207-E234 CarbonylContact C-O 3.48Å; M207-E234 VanDerWaalsContact CA-O 3.3Å; M207-E234 WeakPolarHBondContact CA-O 3.35Å; M207-E234 WeakPolarHBondContact CB-O 3.49Å; M207-I235 HydrophobicContact CB-CG1 4.36Å; M207-W289 PolarHBondContact O-NE1 3.42Å
208	R	95.9	Very high	94.4	Very high	104 Å²	104	64.4 Å²	64.4	39%	0.392	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	155.8	158.9	64.9	-178.7	178.6	-170.1	-1.7	108.8	E234 W289	R208-E234 HydrophobicContact CG-CB 4.14Å; R208-E234 IonicContact CZ-OE2 3.01Å; R208-E234 PolarHBondContact N-O 3.14Å; R208-E234 IonicContact NE-OE2 2.64Å; R208-E234 PolarHBondContact NE-OE2 3.29Å; R208-E234 IonicContact NH2-OE1 3.17Å; R208-E234 IonicContact NH2-OE2 3.54Å; R208-E234 PolarHBondContact NH2-OE2 3.01Å; R208-E234 PolarHBondContact O-N 2.9Å; R208-W289 HydrophobicContact CB-CD2 4.47Å; R208-W289 HydrophobicContact CB-CG 4.5Å; R208-W289 HydrophobicContact CB-CZ2 4.43Å; R208-W289 HydrophobicContact CG-CD2 4.06Å; R208-W289 HydrophobicContact CG-CH2 4.22Å; R208-W289 HydrophobicContact CG-CZ2 3.68Å; R208-W289 VanDerWaalsContact NH1-CE3 3.29Å
209	Y	96.7	Very high	94	Very high	99 Å²	99	67.1 Å²	67.1	39%	0.388	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	154.9	172.9	71.2	-91.5	0	0	0	111.8	V198 Y231 S232	V198-Y209 HydrophobicContact CG1-CD1 3.62Å; V198-Y209 HydrophobicContact CG1-CD2 4.09Å; V198-Y209 HydrophobicContact CG1-CE1 3.98Å; V198-Y209 HydrophobicContact CG1-CE2 4.42Å; V198-Y209 HydrophobicContact CG1-CG 3.69Å; Y209-Y231 HydrophobicContact CD2-CD1 4.23Å; Y209-Y231 HydrophobicContact CE2-CD1 4.48Å; Y209-S232 CarbonylContact C-O 3.58Å; Y209-S232 WeakPolarHBondContact CA-O 3.38Å
210	K	97.5	Very high	93.7	Very high	148 Å²	148	66.2 Å²	66.2	64%	0.643	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.5	131.1	171.7	-67.4	-178.8	179	179.1	0	108.9	Y231 S232	K210-Y231 WeakPolarHBondContact O-CA 3.49Å; K210-S232 PolarHBondContact N-O 2.94Å; K210-S232 PolarHBondContact O-N 3.13Å
211	Y	97.5	Very high	93.4	Very high	88 Å²	88	73 Å²	73	35%	0.345	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	132.6	174.4	169.3	-103.8	0	0	0	109.9	K191 Q213 H229 S230 Y231	K191-Y211 PolarHBondContact NZ-OH 2.99Å; Y211-Q213 HydrophobicContact CE1-CB 4.46Å; Y211-Q213 PolarHBondContact OH-OE1 2.79Å; Y211-H229 HydrophobicContact CE2-CB 4.19Å; Y211-H229 AromaticContact CE2-CD2 3.8Å; Y211-H229 AromaticContact CZ-CD2 3.85Å; Y211-H229 PolarHBondContact OH-CD2 3.34Å; Y211-S230 WeakPolarHBondContact CA-O 3.42Å; Y211-Y231 HydrophobicContact CD2-CD1 4Å; Y211-Y231 AromaticContact CD2-CE1 3.43Å; Y211-Y231 HydrophobicContact CD2-CE1 3.43Å; Y211-Y231 VanDerWaalsContact CD2-CE1 3.43Å; Y211-Y231 HydrophobicContact CD2-CE2 4.23Å; Y211-Y231 AromaticContact CD2-CZ 3.56Å; Y211-Y231 HydrophobicContact CE2-CE1 4.19Å; Y211-Y231 HydrophobicContact CE2-CE2 4.43Å; Y211-Y231 AromaticContact CE2-CZ 3.86Å; Y211-Y231 HydrophobicContact CG-CE1 4.21Å
212	S	97.2	Very high	93.2	Very high	69 Å²	69	76.5 Å²	76.5	48%	0.483	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	156.8	167.7	58.5	0	0	0	0	110.1	S230	S212-S230 PolarHBondContact N-O 2.89Å; S212-S230 PolarHBondContact O-N 2.78Å; S212-S230 WeakPolarHBondContact OG-CB 3.3Å
213	Q	95	Very high	92.9	Very high	106 Å²	106	78.4 Å²	78.4	50%	0.495	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	142.7	174.6	68.7	-170.9	10.8	0	0	110.5	Y211 Y227 K228	Y211-Q213 HydrophobicContact CE1-CB 4.46Å; Y211-Q213 PolarHBondContact OH-OE1 2.79Å; Q213-Y227 HydrophobicContact CG-CD1 4.39Å; Q213-K228 CarbonylContact C-O 3.59Å; Q213-K228 WeakPolarHBondContact CA-O 3.26Å
214	E	92.3	Very high	92.6	Very high	132 Å²	132	84.1 Å²	84.1	62%	0.617	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.7	130	179.3	-176.8	-177.2	179.5	0	0	108.9	V216 Y227 K228	E214-V216 PolarHBondContact O-N 3.32Å; E214-Y227 CarbonylContact O-C 3.58Å; E214-Y227 VanDerWaalsContact O-CA 3.26Å; E214-Y227 WeakPolarHBondContact O-CA 3.12Å; E214-K228 HydrophobicContact CB-CB 4.48Å; E214-K228 PolarHBondContact N-O 3.26Å; E214-K228 PolarHBondContact O-N 3.31Å
215	L	92.6	Very high	92.4	Very high	85 Å²	85	86.4 Å²	86.4	45%	0.445	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	120.7	177.3	-178.9	67.3	0	0	0	109.4	S217 Y225 Y227	L215-S217 WeakPolarHBondContact CD1-O 3.43Å; L215-Y225 HydrophobicContact CD1-CD1 3.88Å; L215-Y225 HydrophobicContact CD1-CG 4.42Å; L215-Y227 HydrophobicContact CB-CD1 4.06Å; L215-Y227 HydrophobicContact CB-CE1 3.81Å; L215-Y227 HydrophobicContact CD1-CD1 4.05Å; L215-Y227 HydrophobicContact CD1-CE1 3.61Å; L215-Y227 HydrophobicContact CD1-CE2 4.41Å; L215-Y227 HydrophobicContact CG-CE1 4.29Å
216	V	87.2	Confident	92.1	Very high	61 Å²	61	89.4 Å²	89.4	37%	0.37	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	-49.4	177.5	179.7	0	0	0	0	110.7	E214 D226 K228	E214-V216 PolarHBondContact O-N 3.32Å; V216-D226 WeakPolarHBondContact CB-O 3.31Å; V216-D226 PolarHBondContact N-O 3.39Å; V216-K228 HydrophobicContact CG2-CB 4.15Å; V216-K228 HydrophobicContact CG2-CD 3.75Å; V216-K228 HydrophobicContact CG2-CG 3.64Å
217	S	88	Confident	91.9	Very high	44 Å²	44	92.9 Å²	92.9	31%	0.308	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	151.5	-176.3	42.3	0	0	0	0	110.8	L215 D226	L215-S217 WeakPolarHBondContact CD1-O 3.43Å; S217-D226 PolarHBondContact N-O 3.28Å; S217-D226 PolarHBondContact O-N 2.9Å; S217-D226 WeakPolarHBondContact OG-CB 3.21Å; S217-D226 PolarHBondContact OG-OD2 3.47Å
218	H	89.4	Confident	91.8	Very high	78 Å²	78	94.3 Å²	94.3	36%	0.361	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	121.5	173.2	167.1	-115.1	0	0	0	108.2	P220 R224 Y225	H218-P220 WeakPolarHBondContact O-CD 3.27Å; H218-R224 WeakPolarHBondContact CA-O 3.4Å; H218-Y225 HydrophobicContact CB-CD1 4.07Å; H218-Y225 HydrophobicContact CB-CE1 4.28Å; H218-Y225 AromaticContact CD2-CD1 3.45Å; H218-Y225 VanDerWaalsContact CD2-CD1 3.45Å; H218-Y225 WeakPolarHBondContact CD2-CD1 3.34Å; H218-Y225 AromaticContact CD2-CD2 3.91Å; H218-Y225 AromaticContact CD2-CE1 3.17Å; H218-Y225 WeakPolarHBondContact CD2-CE1 3.46Å; H218-Y225 AromaticContact CD2-CE2 3.64Å; H218-Y225 AromaticContact CD2-CG 3.8Å; H218-Y225 AromaticContact CD2-CZ 3.25Å; H218-Y225 AromaticContact CG-CD1 3.93Å; H218-Y225 AromaticContact CG-CE1 3.72Å; H218-Y225 AromaticContact NE2-CE1 3.66Å; H218-Y225 AromaticContact NE2-CE2 3.79Å; H218-Y225 AromaticContact NE2-CZ 3.3Å; H218-Y225 VanDerWaalsContact NE2-CZ 3.3Å; H218-Y225 PolarHBondContact NE2-OH 2.92Å
219	D	88.9	Confident	91.7	Very high	57 Å²	57	90.5 Å²	90.5	31%	0.305	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	107.6	171.7	176.7	9.8	0	0	0	109.3	H221 T222 N223 R224	D219-H221 PolarHBondContact O-N 3.47Å; D219-H221 WeakPolarHBondContact OD1-CB 3.39Å; D219-H221 IonicContact OD1-CD2 3.91Å; D219-H221 IonicContact OD1-CG 3.69Å; D219-H221 PolarHBondContact OD1-N 3.11Å; D219-T222 VanDerWaalsContact CG-OG1 3.27Å; D219-T222 PolarHBondContact O-N 2.84Å; D219-T222 WeakPolarHBondContact OD2-CB 3.43Å; D219-T222 VanDerWaalsContact OD2-CG2 3.3Å; D219-T222 WeakPolarHBondContact OD2-CG2 3.48Å; D219-T222 PolarHBondContact OD2-OG1 3.15Å; D219-N223 VanDerWaalsContact O-CA 3.24Å; D219-N223 WeakPolarHBondContact O-CA 3.47Å; D219-N223 PolarHBondContact O-N 3.09Å; D219-R224 PolarHBondContact N-O 3.48Å; D219-R224 PolarHBondContact O-N 2.94Å
220	P	89.7	Confident	91.7	Very high	90 Å²	90	87 Å²	87	58%	0.584	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-20.8	-179.2	29.2	-35.2	0	0	0	113	H218	H218-P220 WeakPolarHBondContact O-CD 3.27Å
221	H	89.6	Confident	91.7	Very high	177 Å²	177	80.2 Å²	80.2	82%	0.819	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-35.6	-178.6	-64	-71.7	0	0	0	112.2	D219	D219-H221 PolarHBondContact O-N 3.47Å; D219-H221 WeakPolarHBondContact OD1-CB 3.39Å; D219-H221 IonicContact OD1-CD2 3.91Å; D219-H221 IonicContact OD1-CG 3.69Å; D219-H221 PolarHBondContact OD1-N 3.11Å
222	T	89.6	Confident	91.7	Very high	74 Å²	74	78.8 Å²	78.8	45%	0.454	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-3.7	175.1	63	0	0	0	0	113.6	D219 R224	D219-T222 VanDerWaalsContact CG-OG1 3.27Å; D219-T222 PolarHBondContact O-N 2.84Å; D219-T222 WeakPolarHBondContact OD2-CB 3.43Å; D219-T222 VanDerWaalsContact OD2-CG2 3.3Å; D219-T222 WeakPolarHBondContact OD2-CG2 3.48Å; D219-T222 PolarHBondContact OD2-OG1 3.15Å; T222-R224 PolarHBondContact O-N 3.4Å; T222-R224 WeakPolarHBondContact OG1-CG 3.4Å
223	N	89.8	Confident	91.8	Very high	107 Å²	107	75.5 Å²	75.5	57%	0.572	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	36.6	-172.8	-165.1	37.8	0	0	0	112.3	D219 Y225	D219-N223 VanDerWaalsContact O-CA 3.24Å; D219-N223 WeakPolarHBondContact O-CA 3.47Å; D219-N223 PolarHBondContact O-N 3.09Å; N223-Y225 VanDerWaalsContact OD1-CE2 3.3Å; N223-Y225 WeakPolarHBondContact OD1-CE2 3.16Å; N223-Y225 PolarHBondContact OD1-OH 3.29Å
224	R	88.4	Confident	91.8	Very high	176 Å²	176	72.2 Å²	72.2	66%	0.664	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.9	130.6	178.3	-71.5	-177.8	177.3	-176.2	-0.2	109.5	H218 D219 T222	H218-R224 WeakPolarHBondContact CA-O 3.4Å; D219-R224 PolarHBondContact N-O 3.48Å; D219-R224 PolarHBondContact O-N 2.94Å; T222-R224 PolarHBondContact O-N 3.4Å; T222-R224 WeakPolarHBondContact OG1-CG 3.4Å
225	Y	89.1	Confident	92	Very high	103 Å²	103	66.1 Å²	66.1	40%	0.404	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	124.4	177.8	-61.6	-103.2	0	0	0	107.8	L215 H218 N223 Y227	L215-Y225 HydrophobicContact CD1-CD1 3.88Å; L215-Y225 HydrophobicContact CD1-CG 4.42Å; H218-Y225 HydrophobicContact CB-CD1 4.07Å; H218-Y225 HydrophobicContact CB-CE1 4.28Å; H218-Y225 AromaticContact CD2-CD1 3.45Å; H218-Y225 VanDerWaalsContact CD2-CD1 3.45Å; H218-Y225 WeakPolarHBondContact CD2-CD1 3.34Å; H218-Y225 AromaticContact CD2-CD2 3.91Å; H218-Y225 AromaticContact CD2-CE1 3.17Å; H218-Y225 WeakPolarHBondContact CD2-CE1 3.46Å; H218-Y225 AromaticContact CD2-CE2 3.64Å; H218-Y225 AromaticContact CD2-CG 3.8Å; H218-Y225 AromaticContact CD2-CZ 3.25Å; H218-Y225 AromaticContact CG-CD1 3.93Å; H218-Y225 AromaticContact CG-CE1 3.72Å; H218-Y225 AromaticContact NE2-CE1 3.66Å; H218-Y225 AromaticContact NE2-CE2 3.79Å; H218-Y225 AromaticContact NE2-CZ 3.3Å; H218-Y225 VanDerWaalsContact NE2-CZ 3.3Å; H218-Y225 PolarHBondContact NE2-OH 2.92Å; N223-Y225 VanDerWaalsContact OD1-CE2 3.3Å; N223-Y225 WeakPolarHBondContact OD1-CE2 3.16Å; N223-Y225 PolarHBondContact OD1-OH 3.29Å; Y225-Y227 HydrophobicContact CG-CE2 4.26Å
226	D	88.1	Confident	92.1	Very high	71 Å²	71	62.1 Å²	62.1	38%	0.38	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	120.2	175.6	-51.1	-57.2	0	0	0	109.9	V216 S217	V216-D226 WeakPolarHBondContact CB-O 3.31Å; V216-D226 PolarHBondContact N-O 3.39Å; S217-D226 PolarHBondContact N-O 3.28Å; S217-D226 PolarHBondContact O-N 2.9Å; S217-D226 WeakPolarHBondContact OG-CB 3.21Å; S217-D226 PolarHBondContact OG-OD2 3.47Å
227	Y	91.8	Very high	92.4	Very high	74 Å²	74	60.6 Å²	60.6	29%	0.29	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	148.4	-179.1	-64.2	-83.7	0	0	0	111.6	Q213 E214 L215 Y225	Q213-Y227 HydrophobicContact CG-CD1 4.39Å; E214-Y227 CarbonylContact O-C 3.58Å; E214-Y227 VanDerWaalsContact O-CA 3.26Å; E214-Y227 WeakPolarHBondContact O-CA 3.12Å; L215-Y227 HydrophobicContact CB-CD1 4.06Å; L215-Y227 HydrophobicContact CB-CE1 3.81Å; L215-Y227 HydrophobicContact CD1-CD1 4.05Å; L215-Y227 HydrophobicContact CD1-CE1 3.61Å; L215-Y227 HydrophobicContact CD1-CE2 4.41Å; L215-Y227 HydrophobicContact CG-CE1 4.29Å; Y225-Y227 HydrophobicContact CG-CE2 4.26Å
228	K	93	Very high	92.6	Very high	37 Å²	37	58.6 Å²	58.6	16%	0.161	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	132.8	156.3	-85.5	171.7	-177.6	171	0	108.6	D140 W142 Q213 E214 V216	D140-K228 WeakPolarHBondContact OD1-CE 3.48Å; D140-K228 IonicContact OD1-NZ 3.83Å; D140-K228 PolarHBondContact OD1-NZ 3Å; W142-K228 HydrophobicContact CE3-CG 4.45Å; W142-K228 HydrophobicContact CH2-CB 4.37Å; W142-K228 HydrophobicContact CH2-CD 4.11Å; W142-K228 HydrophobicContact CH2-CG 4.31Å; W142-K228 HydrophobicContact CZ2-CD 4.17Å; W142-K228 HydrophobicContact CZ3-CB 4.18Å; W142-K228 HydrophobicContact CZ3-CD 4.4Å; W142-K228 HydrophobicContact CZ3-CG 4.13Å; Q213-K228 CarbonylContact C-O 3.59Å; Q213-K228 WeakPolarHBondContact CA-O 3.26Å; E214-K228 HydrophobicContact CB-CB 4.48Å; E214-K228 PolarHBondContact N-O 3.26Å; E214-K228 PolarHBondContact O-N 3.31Å; V216-K228 HydrophobicContact CG2-CB 4.15Å; V216-K228 HydrophobicContact CG2-CD 3.75Å; V216-K228 HydrophobicContact CG2-CG 3.64Å
229	H	95.4	Very high	92.7	Very high	24 Å²	24	55.1 Å²	55.1	11%	0.111	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	128.2	-179.9	-56.3	93.9	0	0	0	108.8	R143 G144 C145 K191 Y211 Y231	R143-H229 WeakPolarHBondContact O-CB 3.47Å; R143-H229 PolarHBondContact O-N 2.97Å; R143-H229 PolarHBondContact O-ND1 2.87Å; R143-H229 VanDerWaalsContact O-ND1 3.12Å; G144-H229 CarbonylContact C-O 3.44Å; G144-H229 WeakPolarHBondContact CA-O 3.5Å; C145-H229 PolarHBondContact N-O 3.3Å; K191-H229 HydrophobicContact CG-CB 4.34Å; Y211-H229 HydrophobicContact CE2-CB 4.19Å; Y211-H229 AromaticContact CE2-CD2 3.8Å; Y211-H229 AromaticContact CZ-CD2 3.85Å; Y211-H229 PolarHBondContact OH-CD2 3.34Å; H229-Y231 HydrophobicContact CB-CE2 4.29Å
230	S	96.3	Very high	92.9	Very high	27 Å²	27	53.8 Å²	53.8	19%	0.189	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	128.7	-179.7	-66.1	0	0	0	0	109.7	C145 Y211 S212	C145-S230 CarbonylContact O-C 3.52Å; C145-S230 WeakPolarHBondContact O-CA 3.48Å; Y211-S230 WeakPolarHBondContact CA-O 3.42Å; S212-S230 PolarHBondContact N-O 2.89Å; S212-S230 PolarHBondContact O-N 2.78Å; S212-S230 WeakPolarHBondContact OG-CB 3.3Å
231	Y	98	Very high	93	Very high	5 Å²	5	49.9 Å²	49.9	2%	0.02	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	106.6	175.3	-64.1	-88.7	0	0	0	108.3	C145 V146 Q147 K191 A194 F195 V198 Y209 K210 Y211 H229	C145-Y231 PolarHBondContact O-N 3.05Å; V146-Y231 HydrophobicContact CG2-CD2 4.35Å; Q147-Y231 PolarHBondContact N-O 3Å; K191-Y231 WeakPolarHBondContact CE-OH 3.4Å; A194-Y231 HydrophobicContact CB-CD2 4.24Å; A194-Y231 HydrophobicContact CB-CE2 4.14Å; F195-Y231 AromaticContact CD2-CE1 3.69Å; F195-Y231 HydrophobicContact CD2-CE1 3.69Å; F195-Y231 AromaticContact CD2-CZ 3.95Å; F195-Y231 HydrophobicContact CE2-CE1 4.44Å; V198-Y231 HydrophobicContact CG2-CD1 4.05Å; V198-Y231 HydrophobicContact CG2-CD2 4.46Å; V198-Y231 HydrophobicContact CG2-CG 3.84Å; Y209-Y231 HydrophobicContact CD2-CD1 4.23Å; Y209-Y231 HydrophobicContact CE2-CD1 4.48Å; K210-Y231 WeakPolarHBondContact O-CA 3.49Å; Y211-Y231 HydrophobicContact CD2-CD1 4Å; Y211-Y231 AromaticContact CD2-CE1 3.43Å; Y211-Y231 HydrophobicContact CD2-CE1 3.43Å; Y211-Y231 VanDerWaalsContact CD2-CE1 3.43Å; Y211-Y231 HydrophobicContact CD2-CE2 4.23Å; Y211-Y231 AromaticContact CD2-CZ 3.56Å; Y211-Y231 HydrophobicContact CE2-CE1 4.19Å; Y211-Y231 HydrophobicContact CE2-CE2 4.43Å; Y211-Y231 AromaticContact CE2-CZ 3.86Å; Y211-Y231 HydrophobicContact CG-CE1 4.21Å; H229-Y231 HydrophobicContact CB-CE2 4.29Å
232	S	97.3	Very high	93.2	Very high	57 Å²	57	41.5 Å²	41.5	40%	0.399	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	109	172.8	-178.7	0	0	0	0	108.5	Y209 K210	Y209-S232 CarbonylContact C-O 3.58Å; Y209-S232 WeakPolarHBondContact CA-O 3.38Å; K210-S232 PolarHBondContact N-O 2.94Å; K210-S232 PolarHBondContact O-N 3.13Å
233	V	97.4	Very high	93.4	Very high	1 Å²	1	38 Å²	38	1%	0.006	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	125.7	-176.3	169.2	0	0	0	0	109	V146 Q147 I148 R149 V198 M207	V146-V233 HydrophobicContact CG1-CG2 3.94Å; Q147-V233 PolarHBondContact O-N 3.31Å; I148-V233 HydrophobicContact CB-CB 4.46Å; I148-V233 HydrophobicContact CB-CG1 4.39Å; I148-V233 HydrophobicContact CG1-CB 4.15Å; I148-V233 HydrophobicContact CG1-CG1 4.21Å; I148-V233 HydrophobicContact CG2-CG1 3.98Å; R149-V233 PolarHBondContact N-O 3.4Å; V198-V233 HydrophobicContact CG1-CG2 4.27Å; V198-V233 HydrophobicContact CG2-CG2 4.05Å; M207-V233 HydrophobicContact CE-CB 4.39Å; M207-V233 HydrophobicContact CE-CG1 3.08Å; M207-V233 HydrophobicContact CE-CG2 4.49Å; M207-V233 HydrophobicContact SD-CG1 3.65Å
234	E	96	Very high	93.6	Very high	36 Å²	36	32.9 Å²	32.9	17%	0.168	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	117.1	176.4	-168.2	177.8	-160.6	0	0	109.5	R149 K151 M207 R208 W289	R149-E234 WeakPolarHBondContact O-CA 3.43Å; K151-E234 IonicContact NZ-OE1 3.06Å; K151-E234 PolarHBondContact NZ-OE1 3.42Å; M207-E234 CarbonylContact C-O 3.48Å; M207-E234 VanDerWaalsContact CA-O 3.3Å; M207-E234 WeakPolarHBondContact CA-O 3.35Å; M207-E234 WeakPolarHBondContact CB-O 3.49Å; R208-E234 HydrophobicContact CG-CB 4.14Å; R208-E234 IonicContact CZ-OE2 3.01Å; R208-E234 PolarHBondContact N-O 3.14Å; R208-E234 IonicContact NE-OE2 2.64Å; R208-E234 PolarHBondContact NE-OE2 3.29Å; R208-E234 IonicContact NH2-OE1 3.17Å; R208-E234 IonicContact NH2-OE2 3.54Å; R208-E234 PolarHBondContact NH2-OE2 3.01Å; R208-E234 PolarHBondContact O-N 2.9Å; E234-W289 HydrophobicContact CB-CH2 4.36Å; E234-W289 HydrophobicContact CG-CH2 3.78Å; E234-W289 HydrophobicContact CG-CZ2 4.33Å; E234-W289 WeakPolarHBondContact O-CZ2 3.29Å
235	I	95.7	Very high	93.9	Very high	4 Å²	4	24.5 Å²	24.5	2%	0.021	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	143.7	175.2	-60	168.8	0	0	0	108.6	I148 R149 Q150 L161 L205 M207 P237	I148-I235 HydrophobicContact CG2-CD1 3.52Å; I148-I235 HydrophobicContact CG2-CG1 4.11Å; R149-I235 PolarHBondContact O-N 3.3Å; Q150-I235 HydrophobicContact CB-CB 4.11Å; Q150-I235 HydrophobicContact CG-CB 4.04Å; Q150-I235 HydrophobicContact CG-CG2 4.16Å; L161-I235 HydrophobicContact CD1-CD1 3.76Å; L205-I235 HydrophobicContact CD1-CD1 3.96Å; M207-I235 HydrophobicContact CB-CG1 4.36Å; I235-P237 WeakPolarHBondContact O-CD 3.43Å
236	A	94.9	Very high	94.2	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.008	10%	0.103	C	C	.	.			trans	-55.7	127.2	174.3	0	0	0	0	0	110.5	Q150 P206 V238 I270 Y288	Q150-A236 PolarHBondContact NE2-O 3.02Å; P206-A236 HydrophobicContact CB-CB 4.35Å; P206-A236 HydrophobicContact CG-CB 4.16Å; P206-A236 WeakPolarHBondContact O-CB 3.49Å; P206-A236 PolarHBondContact O-N 3.44Å; A236-V238 PolarHBondContact O-N 3.24Å; A236-I270 HydrophobicContact CB-CD1 4.25Å; A236-Y288 HydrophobicContact CB-CD1 3.8Å; A236-Y288 HydrophobicContact CB-CE1 3.57Å; A236-Y288 HydrophobicContact CB-CE2 4.49Å; A236-Y288 HydrophobicContact CB-CG 4.38Å
237	P	93.4	Very high	94.5	Very high	29 Å²	29	17 Å²	17	19%	0.188	9%	0.09	C	C	.	.	S	Bend	trans	-77.4	56.8	179.2	33.6	-40	0	0	0	112.1	K151 C152 I235 Y288	K151-P237 HydrophobicContact CB-CB 4.3Å; K151-P237 WeakPolarHBondContact O-CB 3.11Å; C152-P237 VanDerWaalsContact SG-CA 3.51Å; I235-P237 WeakPolarHBondContact O-CD 3.43Å; P237-Y288 VanDerWaalsContact CD-OH 3.26Å; P237-Y288 WeakPolarHBondContact CD-OH 3.44Å; P237-Y288 WeakPolarHBondContact CG-OH 3.49Å
238	V	93.2	Very high	94.6	Very high	3 Å²	3	21.2 Å²	21.2	2%	0.018	11%	0.11	C	C	.	.			trans	-131.9	139.9	174.8	-176.3	0	0	0	0	106.5	A236 V244 C263 I266 I270 Y288 F293	A236-V238 PolarHBondContact O-N 3.24Å; V238-V244 HydrophobicContact CG1-CG1 4Å; V238-C263 HydrophobicContact CG1-CB 3.8Å; V238-I266 HydrophobicContact CB-CD1 4.43Å; V238-I266 HydrophobicContact CG1-CD1 4.33Å; V238-I266 WeakPolarHBondContact O-CD1 3.41Å; V238-I270 HydrophobicContact CG1-CG2 4.35Å; V238-Y288 HydrophobicContact CG2-CE2 3.97Å; V238-F293 HydrophobicContact CG1-CE2 4.47Å; V238-F293 HydrophobicContact CG2-CD2 4.16Å; V238-F293 HydrophobicContact CG2-CE2 3.8Å
239	C	91.8	Very high	94.6	Very high	4 Å²	4	25.6 Å²	25.6	3%	0.027	13%	0.131	C	C	.	.			trans	-129.5	168.1	-177.6	-69.4	0	0	0	0	111.3	H154 D242 C263 I266	H154-C239 VanDerWaalsContact CE1-CB 3.41Å; H154-C239 WeakPolarHBondContact CE1-CB 3.38Å; H154-C239 PolarHBondContact CE1-SG 3.35Å; H154-C239 VanDerWaalsContact NE2-CB 3.29Å; H154-C239 WeakPolarHBondContact NE2-CB 3.48Å; C239-D242 WeakPolarHBondContact CA-OD2 3.06Å; C239-D242 VanDerWaalsContact CB-OD2 3.3Å; C239-D242 WeakPolarHBondContact CB-OD2 3.4Å; C239-D242 PolarHBondContact N-OD2 3.37Å; C239-D242 WeakPolarHBondContact O-CB 3.32Å; C239-D242 PolarHBondContact O-N 3.19Å; C239-C263 WeakPolarHBondContact O-CB 3.4Å; C239-C263 PolarHBondContact O-SG 3.49Å; C239-C263 VanDerWaalsContact O-SG 3.38Å; C239-I266 VanDerWaalsContact C-CD1 3.48Å
240	K	91.9	Very high	94.6	Very high	29 Å²	29	24.4 Å²	24.4	13%	0.126	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	137.4	174.3	-169.9	-159	154.5	-151.4	0	109.3	R156 D242 C263 D440 E443	R156-K240 PolarHBondContact NH1-O 3.03Å; R156-K240 PolarHBondContact NH2-O 2.96Å; K240-D242 PolarHBondContact O-N 2.83Å; K240-C263 CarbonylContact C-O 3.6Å; K240-C263 WeakPolarHBondContact CA-O 3.41Å; K240-D440 HydrophobicContact CD-CB 4.41Å; K240-D440 IonicContact NZ-OD1 3.69Å; K240-D440 PolarHBondContact NZ-OD1 2.86Å; K240-E443 IonicContact NZ-OE2 2.84Å; K240-E443 PolarHBondContact NZ-OE2 3.03Å
241	D	92.7	Very high	94.5	Very high	9 Å²	9	23.3 Å²	23.3	5%	0.048	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	70	12.9	-179.8	-44.3	-50.7	0	0	0	114.6	R156 C263 R299 V400 Q401	R156-D241 IonicContact NH1-OD2 3.15Å; D241-C263 PolarHBondContact N-O 3.24Å; D241-R299 IonicContact OD2-NH1 2.84Å; D241-V400 HydrophobicContact CB-CG1 3.76Å; D241-V400 VanDerWaalsContact O-CG1 3.31Å; D241-V400 WeakPolarHBondContact O-CG1 3.47Å; D241-Q401 PolarHBondContact OD2-OE1 3.2Å
242	D	93.3	Very high	94.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	140.7	173.7	-69.5	-10.6	0	0	0	111.1	R156 C239 K240 C263 T295	R156-D242 IonicContact NH2-OD1 2.71Å; C239-D242 WeakPolarHBondContact CA-OD2 3.06Å; C239-D242 VanDerWaalsContact CB-OD2 3.3Å; C239-D242 WeakPolarHBondContact CB-OD2 3.4Å; C239-D242 PolarHBondContact N-OD2 3.37Å; C239-D242 WeakPolarHBondContact O-CB 3.32Å; C239-D242 PolarHBondContact O-N 3.19Å; K240-D242 PolarHBondContact O-N 2.83Å; D242-C263 PolarHBondContact O-N 3.13Å; D242-T295 HydrophobicContact CB-CG2 3.79Å; D242-T295 WeakPolarHBondContact OD2-CG2 3.44Å
243	I	94.2	Very high	94.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	126.5	168.8	-61.7	168.7	0	0	0	107.8	I262 T295 I296 A297 L302 L374 I398 V400	I243-I262 HydrophobicContact CG1-CG1 4.38Å; I243-T295 CarbonylContact O-C 3.48Å; I243-T295 WeakPolarHBondContact O-CA 3.45Å; I243-I296 HydrophobicContact CG2-CB 4.27Å; I243-I296 HydrophobicContact CG2-CD1 4.15Å; I243-I296 PolarHBondContact O-N 3Å; I243-A297 HydrophobicContact CD1-CB 4.42Å; I243-A297 PolarHBondContact N-O 3.29Å; I243-L302 HydrophobicContact CD1-CD2 4.03Å; I243-L374 HydrophobicContact CD1-CB 3.49Å; I243-L374 VanDerWaalsContact CD1-CB 3.49Å; I243-L374 HydrophobicContact CD1-CD2 3.61Å; I243-L374 HydrophobicContact CD1-CG 4.17Å; I243-I398 HydrophobicContact CD1-CB 4.3Å; I243-I398 HydrophobicContact CD1-CG2 4.18Å; I243-I398 HydrophobicContact CG2-CD1 4.41Å; I243-V400 HydrophobicContact CD1-CG2 3.61Å; I243-V400 HydrophobicContact CG1-CG2 3.74Å
244	V	94.4	Very high	94.1	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	146.7	-177.7	-59.3	0	0	0	0	111.7	V238 L246 M261 L272 F293 T295	V238-V244 HydrophobicContact CG1-CG1 4Å; V244-L246 HydrophobicContact CG2-CD2 4.16Å; V244-M261 HydrophobicContact CG2-CB 3.86Å; V244-M261 PolarHBondContact N-O 2.69Å; V244-M261 PolarHBondContact O-N 2.97Å; V244-L272 HydrophobicContact CG2-CD1 4.42Å; V244-L272 HydrophobicContact CG2-CD2 3.8Å; V244-F293 HydrophobicContact CB-CD2 3.79Å; V244-F293 HydrophobicContact CB-CE2 4.13Å; V244-F293 HydrophobicContact CG1-CD2 3.96Å; V244-F293 HydrophobicContact CG1-CE2 4.04Å; V244-F293 HydrophobicContact CG2-CD2 4.11Å; V244-F293 HydrophobicContact CG2-CE2 4.09Å; V244-T295 HydrophobicContact CG1-CG2 4.3Å
245	C	94.1	Very high	93.9	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	113.8	170.2	-168.4	0	0	0	0	109.8	Q259 L260 F293 R294 I296 D385	C245-Q259 CarbonylContact C-O 3.56Å; C245-Q259 WeakPolarHBondContact CA-O 3.45Å; C245-L260 HydrophobicContact CB-CD2 4.45Å; C245-F293 VanDerWaalsContact O-CB 3.26Å; C245-F293 WeakPolarHBondContact O-CB 3.47Å; C245-R294 PolarHBondContact N-O 3.03Å; C245-I296 HydrophobicContact CB-CD1 3.56Å; C245-I296 HydrophobicContact CB-CG1 3.92Å; C245-D385 VanDerWaalsContact SG-C 3.59Å
246	L	95.1	Very high	93.6	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.186	C	C	.	.			trans	-78.3	137.2	176.5	-56.1	-173.5	0	0	0	110.7	V244 L250 A251 L254 Q259 M261 L272 F293	V244-L246 HydrophobicContact CG2-CD2 4.16Å; L246-L250 HydrophobicContact CD2-CD2 3.98Å; L246-A251 HydrophobicContact CB-CB 4.38Å; L246-L254 HydrophobicContact CD1-CD1 3.79Å; L246-Q259 PolarHBondContact N-O 3.47Å; L246-Q259 WeakPolarHBondContact O-CB 3.5Å; L246-Q259 WeakPolarHBondContact O-CG 3.41Å; L246-Q259 PolarHBondContact O-NE2 2.53Å; L246-M261 HydrophobicContact CD1-CG 3.73Å; L246-M261 HydrophobicContact CG-CG 4.04Å; L246-L272 HydrophobicContact CD1-CD1 4.15Å; L246-L272 HydrophobicContact CD2-CD1 3.79Å; L246-L272 HydrophobicContact CG-CD1 4.48Å; L246-F293 HydrophobicContact CD2-CB 4.25Å; L246-F293 HydrophobicContact CD2-CD1 3.57Å; L246-F293 HydrophobicContact CD2-CD2 4.09Å; L246-F293 HydrophobicContact CD2-CE1 3.76Å; L246-F293 HydrophobicContact CD2-CE2 4.27Å; L246-F293 HydrophobicContact CD2-CG 3.72Å; L246-F293 HydrophobicContact CD2-CZ 4.11Å
247	P	95	Very high	93.2	Very high	17 Å²	17	37.2 Å²	37.2	11%	0.11	23%	0.225	C	C	.	.			trans	-55.7	142.1	165.1	-24.8	30.7	0	0	0	110.5	Q249 L250 A251	P247-Q249 PolarHBondContact O-N 3.27Å; P247-L250 WeakPolarHBondContact O-CA 3.3Å; P247-L250 WeakPolarHBondContact O-CB 3.35Å; P247-L250 PolarHBondContact O-N 3.18Å; P247-A251 PolarHBondContact O-N 2.84Å
248	K	93	Very high	93	Very high	162 Å²	162	37.4 Å²	37.4	70%	0.704	23%	0.227	S	C	*	.	H	α-helix	trans	-52.5	-35.3	-179.2	-174	175.4	-178.7	177.6	0	113.3	S252	K248-S252 WeakPolarHBondContact O-CB 3.35Å; K248-S252 PolarHBondContact O-N 3.28Å
249	Q	94.2	Very high	93	Very high	129 Å²	129	38.8 Å²	38.8	60%	0.603	23%	0.234	S	C	*	.	H	α-helix	trans	-65.3	-38.5	177	-61.3	-177.3	13.3	0	0	112.6	P247 K253 Y291	P247-Q249 PolarHBondContact O-N 3.27Å; Q249-K253 WeakPolarHBondContact O-CG 3.47Å; Q249-K253 PolarHBondContact O-N 2.89Å; Q249-Y291 HydrophobicContact CB-CD1 4.33Å; Q249-Y291 HydrophobicContact CB-CE1 4.29Å; Q249-Y291 VanDerWaalsContact OE1-CE1 3.31Å
250	L	95.5	Very high	93.1	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-74.5	-45.3	178.3	179.9	60.2	0	0	0	110.7	L246 P247 S252 K253 L254 M287 Y291 F293	L246-L250 HydrophobicContact CD2-CD2 3.98Å; P247-L250 WeakPolarHBondContact O-CA 3.3Å; P247-L250 WeakPolarHBondContact O-CB 3.35Å; P247-L250 PolarHBondContact O-N 3.18Å; L250-S252 VanDerWaalsContact C-N 3.29Å; L250-S252 PolarHBondContact O-N 3Å; L250-K253 WeakPolarHBondContact O-CB 3.29Å; L250-K253 PolarHBondContact O-N 3.38Å; L250-L254 HydrophobicContact CD1-CD1 4.34Å; L250-L254 HydrophobicContact CD1-CG 4.29Å; L250-L254 HydrophobicContact CG-CD1 4.19Å; L250-L254 WeakPolarHBondContact O-CG 3.44Å; L250-L254 PolarHBondContact O-N 3.49Å; L250-M287 HydrophobicContact CD1-CG 3.86Å; L250-M287 HydrophobicContact CD1-SD 3.79Å; L250-Y291 HydrophobicContact CB-CG 4.46Å; L250-Y291 HydrophobicContact CD1-CD2 4.49Å; L250-F293 HydrophobicContact CD2-CD1 3.54Å; L250-F293 HydrophobicContact CD2-CE1 3.68Å
251	A	94.1	Very high	93.2	Very high	4 Å²	4	37.5 Å²	37.5	3%	0.033	23%	0.228	C	C	.	.	H	α-helix	trans	-54.8	-46.3	175.5	0	0	0	0	0	111.4	L246 P247 K253 L254 G255 S256 Q259	L246-A251 HydrophobicContact CB-CB 4.38Å; P247-A251 PolarHBondContact O-N 2.84Å; A251-K253 VanDerWaalsContact C-N 3.32Å; A251-K253 PolarHBondContact O-N 3.49Å; A251-L254 PolarHBondContact O-N 3Å; A251-G255 PolarHBondContact O-N 3.18Å; A251-G255 VanDerWaalsContact O-N 3.09Å; A251-S256 PolarHBondContact O-N 2.95Å; A251-Q259 HydrophobicContact CB-CG 4.03Å
252	S	94.7	Very high	93.3	Very high	93 Å²	93	37.1 Å²	37.1	65%	0.65	23%	0.226	S	C	*	.	H	α-helix	trans	-62.1	-35.3	175.6	178.3	0	0	0	0	113.5	K248 L250 G255	K248-S252 WeakPolarHBondContact O-CB 3.35Å; K248-S252 PolarHBondContact O-N 3.28Å; L250-S252 VanDerWaalsContact C-N 3.29Å; L250-S252 PolarHBondContact O-N 3Å; S252-G255 PolarHBondContact O-N 2.69Å
253	K	94.6	Very high	93.4	Very high	114 Å²	114	37.1 Å²	37.1	50%	0.496	23%	0.226	S	C	.	.	H	α-helix	trans	-72.7	-32.4	177.5	-79.4	-179.3	176.5	-169.9	0	113.4	Q249 L250 A251 Y291	Q249-K253 WeakPolarHBondContact O-CG 3.47Å; Q249-K253 PolarHBondContact O-N 2.89Å; L250-K253 WeakPolarHBondContact O-CB 3.29Å; L250-K253 PolarHBondContact O-N 3.38Å; A251-K253 VanDerWaalsContact C-N 3.32Å; A251-K253 PolarHBondContact O-N 3.49Å; K253-Y291 HydrophobicContact CD-CE2 4.28Å; K253-Y291 PolarHBondContact NZ-OH 2.79Å
254	L	94	Very high	93.4	Very high	35 Å²	35	37.5 Å²	37.5	18%	0.183	23%	0.227	C	C	.	.	H	α-helix	trans	-76	-13.1	172.8	-65.7	175.3	0	0	0	111.9	L246 L250 A251 F281 V283 M287	L246-L254 HydrophobicContact CD1-CD1 3.79Å; L250-L254 HydrophobicContact CD1-CD1 4.34Å; L250-L254 HydrophobicContact CD1-CG 4.29Å; L250-L254 HydrophobicContact CG-CD1 4.19Å; L250-L254 WeakPolarHBondContact O-CG 3.44Å; L250-L254 PolarHBondContact O-N 3.49Å; A251-L254 PolarHBondContact O-N 3Å; L254-F281 HydrophobicContact CB-CD1 3.84Å; L254-F281 HydrophobicContact CB-CE1 4.27Å; L254-F281 HydrophobicContact CB-CG 4.38Å; L254-F281 HydrophobicContact CD1-CB 4.17Å; L254-F281 HydrophobicContact CD1-CG 4.47Å; L254-F281 HydrophobicContact CD2-CB 4.45Å; L254-F281 VanDerWaalsContact O-CE1 3.26Å; L254-F281 WeakPolarHBondContact O-CE1 3.2Å; L254-V283 HydrophobicContact CD1-CG2 4.06Å; L254-V283 HydrophobicContact CD2-CG2 4.48Å; L254-M287 HydrophobicContact CD2-SD 4.48Å
255	G	93	Very high	93.3	Very high	60 Å²	60	40.6 Å²	40.6	62%	0.619	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.7	16.5	-172.9	0	0	0	0	0	113	A251 S252	A251-G255 PolarHBondContact O-N 3.18Å; A251-G255 VanDerWaalsContact O-N 3.09Å; S252-G255 PolarHBondContact O-N 2.69Å
256	S	89.6	Confident	93.2	Very high	12 Å²	12	42.1 Å²	42.1	8%	0.084	25%	0.247	C	C	.	.			trans	-82.4	134.9	179.6	-171.9	0	0	0	0	111.2	A251 S258 M261	A251-S256 PolarHBondContact O-N 2.95Å; S256-S258 VanDerWaalsContact C-N 3.31Å; S256-S258 PolarHBondContact OG-N 2.74Å; S256-S258 PolarHBondContact OG-O 3.2Å; S256-M261 WeakPolarHBondContact OG-CE 3.26Å
257	G	84.7	Confident	93	Very high	82 Å²	82	43 Å²	43	85%	0.845	26%	0.255	S	S	*	.	S	Bend	trans	-76.8	-17.9	174.8	0	0	0	0	0	113.8
258	S	89.4	Confident	92.8	Very high	32 Å²	32	48.7 Å²	48.7	22%	0.224	28%	0.278	C	S	.	.			trans	-112.8	154.4	-179.4	177.7	0	0	0	0	111.1	S256 L260 M261	S256-S258 VanDerWaalsContact C-N 3.31Å; S256-S258 PolarHBondContact OG-N 2.74Å; S256-S258 PolarHBondContact OG-O 3.2Å; S258-L260 PolarHBondContact OG-N 3.07Å; S258-L260 VanDerWaalsContact OG-N 3.13Å; S258-L260 PolarHBondContact OG-O 3.39Å; S258-M261 VanDerWaalsContact O-CE 3.23Å; S258-M261 WeakPolarHBondContact O-CE 2.91Å
259	Q	93.3	Very high	93	Very high	33 Å²	33	42.6 Å²	42.6	15%	0.154	26%	0.255	C	S	.	.	S	Bend	trans	-99.6	-17.1	171.4	-69.9	177.1	-100.8	0	0	111.9	C245 L246 A251 I389	C245-Q259 CarbonylContact C-O 3.56Å; C245-Q259 WeakPolarHBondContact CA-O 3.45Å; L246-Q259 PolarHBondContact N-O 3.47Å; L246-Q259 WeakPolarHBondContact O-CB 3.5Å; L246-Q259 WeakPolarHBondContact O-CG 3.41Å; L246-Q259 PolarHBondContact O-NE2 2.53Å; A251-Q259 HydrophobicContact CB-CG 4.03Å; Q259-I389 HydrophobicContact CB-CD1 3.86Å; Q259-I389 HydrophobicContact CB-CG1 4.45Å
260	L	93.8	Very high	93	Very high	4 Å²	4	36.5 Å²	36.5	2%	0.021	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	116.3	-178.9	-67.8	175.3	0	0	0	109.7	C245 S258 I296 L376 F386 I389 V394 P395 I398	C245-L260 HydrophobicContact CB-CD2 4.45Å; S258-L260 PolarHBondContact OG-N 3.07Å; S258-L260 VanDerWaalsContact OG-N 3.13Å; S258-L260 PolarHBondContact OG-O 3.39Å; L260-I296 HydrophobicContact CD2-CD1 3.23Å; L260-L376 HydrophobicContact CD1-CD1 4.11Å; L260-F386 HydrophobicContact CD1-CE2 4.15Å; L260-F386 HydrophobicContact CD2-CD2 3.87Å; L260-F386 HydrophobicContact CD2-CE2 4.04Å; L260-I389 HydrophobicContact CD2-CD1 4.39Å; L260-I389 HydrophobicContact CG-CD1 4.16Å; L260-V394 HydrophobicContact CD1-CG1 4.32Å; L260-P395 HydrophobicContact CD1-CG 4.43Å; L260-I398 HydrophobicContact CB-CD1 4.26Å; L260-I398 HydrophobicContact CD1-CD1 4.15Å
261	M	94.9	Very high	93	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	158	-176.3	-60	-71.3	138.1	0	0	110.3	V244 L246 S256 S258 L272 D274 F281	V244-M261 HydrophobicContact CG2-CB 3.86Å; V244-M261 PolarHBondContact N-O 2.69Å; V244-M261 PolarHBondContact O-N 2.97Å; L246-M261 HydrophobicContact CD1-CG 3.73Å; L246-M261 HydrophobicContact CG-CG 4.04Å; S256-M261 WeakPolarHBondContact OG-CE 3.26Å; S258-M261 VanDerWaalsContact O-CE 3.23Å; S258-M261 WeakPolarHBondContact O-CE 2.91Å; M261-L272 HydrophobicContact CB-CB 4.17Å; M261-L272 HydrophobicContact CB-CD1 4.37Å; M261-D274 HydrophobicContact CE-CB 3.8Å; M261-D274 VanDerWaalsContact SD-CA 3.55Å; M261-D274 HydrophobicContact SD-CB 3.65Å; M261-F281 HydrophobicContact SD-CD2 4.11Å; M261-F281 HydrophobicContact SD-CE2 4.18Å
262	I	95.6	Very high	93.1	Very high	1 Å²	1	37 Å²	37	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	132.5	173.1	-61.7	160.4	0	0	0	108.5	I243 F264 L272 V273 P275 H360 I398 L399 V400	I243-I262 HydrophobicContact CG1-CG1 4.38Å; I262-F264 PolarHBondContact O-N 3.06Å; I262-L272 CarbonylContact O-C 3.58Å; I262-L272 VanDerWaalsContact O-CA 3.28Å; I262-L272 WeakPolarHBondContact O-CA 3.37Å; I262-V273 HydrophobicContact CB-CG1 3.89Å; I262-V273 HydrophobicContact CG2-CG1 4.4Å; I262-V273 PolarHBondContact N-O 3.49Å; I262-V273 PolarHBondContact O-N 3.45Å; I262-P275 HydrophobicContact CD1-CB 3.95Å; I262-P275 HydrophobicContact CD1-CG 4.41Å; I262-H360 WeakPolarHBondContact CD1-CE1 3.45Å; I262-I398 HydrophobicContact CD1-CG2 3.78Å; I262-I398 HydrophobicContact CG1-CG2 4.13Å; I262-L399 WeakPolarHBondContact CD1-O 3.12Å; I262-V400 HydrophobicContact CD1-CG2 4.46Å; I262-V400 HydrophobicContact CG2-CG1 3.93Å
263	C	95.1	Very high	93.1	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	92.7	173.8	-179.5	0	0	0	0	110.4	V238 C239 K240 D241 D242 I266 H271 L272	V238-C263 HydrophobicContact CG1-CB 3.8Å; C239-C263 WeakPolarHBondContact O-CB 3.4Å; C239-C263 PolarHBondContact O-SG 3.49Å; C239-C263 VanDerWaalsContact O-SG 3.38Å; K240-C263 CarbonylContact C-O 3.6Å; K240-C263 WeakPolarHBondContact CA-O 3.41Å; D241-C263 PolarHBondContact N-O 3.24Å; D242-C263 PolarHBondContact O-N 3.13Å; C263-I266 WeakPolarHBondContact SG-CG1 3.48Å; C263-H271 WeakPolarHBondContact CA-O 3.38Å; C263-L272 HydrophobicContact CB-CD2 3.84Å
264	F	93.3	Very high	93.1	Very high	9 Å²	9	27.6 Å²	27.6	4%	0.039	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	-16.4	-176.3	73.7	-88.9	0	0	0	113.7	I262 H271 V273 V280 D330 F334	I262-F264 PolarHBondContact O-N 3.06Å; F264-H271 HydrophobicContact CD1-CB 4.24Å; F264-H271 HydrophobicContact CE1-CB 3.57Å; F264-H271 HydrophobicContact CE2-CB 4.13Å; F264-H271 HydrophobicContact CZ-CB 3.52Å; F264-H271 PolarHBondContact N-O 2.78Å; F264-V273 HydrophobicContact CB-CG1 4.3Å; F264-V273 HydrophobicContact CD1-CB 3.82Å; F264-V273 HydrophobicContact CD1-CG1 3.87Å; F264-V273 HydrophobicContact CE1-CB 4.22Å; F264-V273 HydrophobicContact CG-CG1 4.46Å; F264-V280 HydrophobicContact CE1-CG1 3.8Å; F264-V280 HydrophobicContact CE1-CG2 4.25Å; F264-V280 HydrophobicContact CZ-CG1 3.84Å; F264-V280 HydrophobicContact CZ-CG2 4.43Å; F264-D330 HydrophobicContact CZ-CB 4.36Å; F264-F334 HydrophobicContact CB-CZ 4.1Å; F264-F334 HydrophobicContact CD1-CE2 4.05Å; F264-F334 HydrophobicContact CD1-CZ 4.14Å; F264-F334 HydrophobicContact CD2-CE2 4.01Å; F264-F334 AromaticContact CD2-CZ 3.77Å; F264-F334 HydrophobicContact CD2-CZ 3.77Å; F264-F334 HydrophobicContact CE1-CE2 4.01Å; F264-F334 AromaticContact CE2-CE2 3.97Å; F264-F334 HydrophobicContact CE2-CE2 3.97Å; F264-F334 HydrophobicContact CE2-CZ 4.18Å; F264-F334 HydrophobicContact CG-CE2 4.05Å; F264-F334 AromaticContact CG-CZ 3.73Å; F264-F334 HydrophobicContact CG-CZ 3.73Å; F264-F334 AromaticContact CZ-CE2 3.96Å; F264-F334 HydrophobicContact CZ-CE2 3.96Å
265	R	91.9	Very high	93.1	Very high	65 Å²	65	26.3 Å²	26.3	25%	0.245	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	143.5	179.9	-179.9	173.8	169.5	-166.9	-8.1	112.6	H271	R265-H271 HydrophobicContact CB-CB 4.09Å; R265-H271 WeakPolarHBondContact O-CB 3.26Å; R265-H271 PolarHBondContact O-N 2.85Å
266	I	92.1	Very high	93.1	Very high	32 Å²	32	25.6 Å²	25.6	16%	0.164	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	124.9	175.5	-60.3	-175.2	0	0	0	110	L205 P206 V238 C239 C263	L205-I266 HydrophobicContact CD2-CG2 4.4Å; P206-I266 HydrophobicContact CG-CG2 3.87Å; V238-I266 HydrophobicContact CB-CD1 4.43Å; V238-I266 HydrophobicContact CG1-CD1 4.33Å; V238-I266 WeakPolarHBondContact O-CD1 3.41Å; C239-I266 VanDerWaalsContact C-CD1 3.48Å; C263-I266 WeakPolarHBondContact SG-CG1 3.48Å
267	G	91	Very high	93.2	Very high	17 Å²	17	27 Å²	27	18%	0.175	17%	0.168	C	C	.	.	S	Bend	trans	-135.7	-135.8	165.4	0	0	0	0	0	109.2	K204 L205 P206 V269	K204-G267 CarbonylContact O-C 3.46Å; K204-G267 VanDerWaalsContact O-CA 3.32Å; K204-G267 WeakPolarHBondContact O-CA 3.45Å; L205-G267 WeakPolarHBondContact CA-O 3.29Å; P206-G267 WeakPolarHBondContact CD-O 3.39Å; G267-V269 CarbonylContact C-O 3.51Å; G267-V269 PolarHBondContact N-O 2.82Å; G267-V269 PolarHBondContact O-N 3.21Å
268	K	92.2	Very high	93.5	Very high	137 Å²	137	23.9 Å²	23.9	60%	0.596	13%	0.134	S	C	*	.	S	Bend	trans	-58.2	-29.5	171.1	-174.9	177.6	179	-179.4	0	112.7	K204	K204-K268 PolarHBondContact O-N 3.05Å
269	V	95.2	Very high	93.7	Very high	35 Å²	35	27.1 Å²	27.1	21%	0.212	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	156.8	174.5	-56.3	0	0	0	0	109.4	G267 H271 E282	G267-V269 CarbonylContact C-O 3.51Å; G267-V269 PolarHBondContact N-O 2.82Å; G267-V269 PolarHBondContact O-N 3.21Å; V269-H271 WeakPolarHBondContact CG2-NE2 3.49Å; V269-E282 HydrophobicContact CG2-CB 4.43Å
270	I	96.1	Very high	93.7	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	122.8	177	-56.7	168.8	0	0	0	107.3	P206 A236 V238 L272 E282 V283 Y288 F293	P206-I270 HydrophobicContact CB-CD1 4.49Å; P206-I270 HydrophobicContact CB-CG1 4.12Å; P206-I270 HydrophobicContact CG-CD1 4.37Å; P206-I270 HydrophobicContact CG-CG1 3.81Å; A236-I270 HydrophobicContact CB-CD1 4.25Å; V238-I270 HydrophobicContact CG1-CG2 4.35Å; I270-L272 HydrophobicContact CG2-CD2 3.84Å; I270-L272 HydrophobicContact CG2-CG 4.23Å; I270-E282 CarbonylContact O-C 3.5Å; I270-E282 WeakPolarHBondContact O-CA 3.42Å; I270-V283 HydrophobicContact CB-CB 4.33Å; I270-V283 PolarHBondContact N-O 3.46Å; I270-V283 PolarHBondContact O-N 3.05Å; I270-Y288 HydrophobicContact CD1-CD2 3.68Å; I270-Y288 HydrophobicContact CD1-CE2 4.31Å; I270-Y288 HydrophobicContact CD1-CG 3.98Å; I270-F293 HydrophobicContact CD1-CZ 4.09Å; I270-F293 HydrophobicContact CG2-CZ 4.37Å
271	H	95.3	Very high	93.8	Very high	16 Å²	16	28.3 Å²	28.3	7%	0.074	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	124.4	177.4	-58.5	-95.2	0	0	0	109.8	C263 F264 R265 V269 F281 E282	C263-H271 WeakPolarHBondContact CA-O 3.38Å; F264-H271 HydrophobicContact CD1-CB 4.24Å; F264-H271 HydrophobicContact CE1-CB 3.57Å; F264-H271 HydrophobicContact CE2-CB 4.13Å; F264-H271 HydrophobicContact CZ-CB 3.52Å; F264-H271 PolarHBondContact N-O 2.78Å; R265-H271 HydrophobicContact CB-CB 4.09Å; R265-H271 WeakPolarHBondContact O-CB 3.26Å; R265-H271 PolarHBondContact O-N 2.85Å; V269-H271 WeakPolarHBondContact CG2-NE2 3.49Å; H271-F281 WeakPolarHBondContact CA-O 3.43Å; H271-E282 IonicContact CE1-OE1 2.89Å; H271-E282 PolarHBondContact CE1-OE1 3.37Å; H271-E282 VanDerWaalsContact CE1-OE1 3.31Å; H271-E282 IonicContact ND1-OE1 2.79Å; H271-E282 PolarHBondContact ND1-OE1 3.44Å
272	L	96.1	Very high	93.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	146.7	-176.3	-60.3	179.2	0	0	0	109.9	V244 L246 M261 I262 C263 I270 V280 F281 V283 F293	V244-L272 HydrophobicContact CG2-CD1 4.42Å; V244-L272 HydrophobicContact CG2-CD2 3.8Å; L246-L272 HydrophobicContact CD1-CD1 4.15Å; L246-L272 HydrophobicContact CD2-CD1 3.79Å; L246-L272 HydrophobicContact CG-CD1 4.48Å; M261-L272 HydrophobicContact CB-CB 4.17Å; M261-L272 HydrophobicContact CB-CD1 4.37Å; I262-L272 CarbonylContact O-C 3.58Å; I262-L272 VanDerWaalsContact O-CA 3.28Å; I262-L272 WeakPolarHBondContact O-CA 3.37Å; C263-L272 HydrophobicContact CB-CD2 3.84Å; I270-L272 HydrophobicContact CG2-CD2 3.84Å; I270-L272 HydrophobicContact CG2-CG 4.23Å; L272-V280 CarbonylContact O-C 3.59Å; L272-V280 VanDerWaalsContact O-CA 3.31Å; L272-V280 WeakPolarHBondContact O-CA 3.5Å; L272-F281 HydrophobicContact CB-CB 4.39Å; L272-F281 PolarHBondContact N-O 3.38Å; L272-F281 PolarHBondContact O-N 2.77Å; L272-V283 HydrophobicContact CD1-CG2 3.88Å; L272-F293 HydrophobicContact CD1-CZ 4.16Å
273	V	95	Very high	93.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	136.9	172.1	63	0	0	0	0	110	I262 F264 Q279 V280 F334 H360	I262-V273 HydrophobicContact CB-CG1 3.89Å; I262-V273 HydrophobicContact CG2-CG1 4.4Å; I262-V273 PolarHBondContact N-O 3.49Å; I262-V273 PolarHBondContact O-N 3.45Å; F264-V273 HydrophobicContact CB-CG1 4.3Å; F264-V273 HydrophobicContact CD1-CB 3.82Å; F264-V273 HydrophobicContact CD1-CG1 3.87Å; F264-V273 HydrophobicContact CE1-CB 4.22Å; F264-V273 HydrophobicContact CG-CG1 4.46Å; V273-Q279 WeakPolarHBondContact CA-O 3.5Å; V273-V280 HydrophobicContact CG2-CG2 4.41Å; V273-F334 HydrophobicContact CB-CD2 4.47Å; V273-F334 HydrophobicContact CB-CE2 4.37Å; V273-F334 HydrophobicContact CG2-CB 4.39Å; V273-F334 HydrophobicContact CG2-CD2 3.9Å; V273-F334 HydrophobicContact CG2-CE2 4.28Å; V273-F334 HydrophobicContact CG2-CG 4.01Å; V273-H360 HydrophobicContact CG2-CB 4.09Å
274	D	94.4	Very high	93.9	Very high	9 Å²	9	35.8 Å²	35.8	5%	0.048	19%	0.193	C	C	.	.			trans	-80.1	119.6	170.6	-178.9	-6.2	0	0	0	109.4	M261 A276 S277 A278 Q279 F281	M261-D274 HydrophobicContact CE-CB 3.8Å; M261-D274 VanDerWaalsContact SD-CA 3.55Å; M261-D274 HydrophobicContact SD-CB 3.65Å; D274-A276 PolarHBondContact O-N 3.26Å; D274-A276 PolarHBondContact OD1-N 2.82Å; D274-S277 VanDerWaalsContact CB-OG 3.23Å; D274-S277 WeakPolarHBondContact CB-OG 3.46Å; D274-S277 WeakPolarHBondContact OD2-CB 3.34Å; D274-S277 PolarHBondContact OD2-OG 2.96Å; D274-A278 VanDerWaalsContact O-CA 3.26Å; D274-A278 WeakPolarHBondContact O-CA 3.31Å; D274-A278 PolarHBondContact O-N 3.45Å; D274-Q279 PolarHBondContact N-O 2.82Å; D274-F281 HydrophobicContact CB-CE2 4.36Å
275	P	93.4	Very high	94	Very high	7 Å²	7	35.9 Å²	35.9	5%	0.045	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-28	179.8	24.4	-34	0	0	0	113.5	I262 T359 H360 I398	I262-P275 HydrophobicContact CD1-CB 3.95Å; I262-P275 HydrophobicContact CD1-CG 4.41Å; P275-T359 CarbonylContact O-C 3.44Å; P275-T359 WeakPolarHBondContact O-CA 3.27Å; P275-H360 PolarHBondContact O-N 3.09Å; P275-H360 VanDerWaalsContact O-N 3.13Å; P275-I398 HydrophobicContact CB-CG2 4.11Å; P275-I398 HydrophobicContact CG-CG2 4.14Å
276	A	92.1	Very high	94.2	Very high	45 Å²	45	37.7 Å²	37.7	37%	0.372	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-34.3	-175.2	0	0	0	0	0	113.5	D274 V336 K358	D274-A276 PolarHBondContact O-N 3.26Å; D274-A276 PolarHBondContact OD1-N 2.82Å; A276-V336 VanDerWaalsContact O-CG1 3.24Å; A276-V336 WeakPolarHBondContact O-CG1 3.44Å; A276-V336 WeakPolarHBondContact O-CG2 3.31Å; A276-K358 HydrophobicContact CB-CB 4.39Å
277	S	91.5	Very high	94.4	Very high	43 Å²	43	39.2 Å²	39.2	30%	0.301	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	-8.2	-177.6	70.4	0	0	0	0	114.3	D274 Q279 V336	D274-S277 VanDerWaalsContact CB-OG 3.23Å; D274-S277 WeakPolarHBondContact CB-OG 3.46Å; D274-S277 WeakPolarHBondContact OD2-CB 3.34Å; D274-S277 PolarHBondContact OD2-OG 2.96Å; S277-Q279 PolarHBondContact O-N 2.92Å; S277-Q279 WeakPolarHBondContact OG-CB 3.43Å; S277-Q279 WeakPolarHBondContact OG-CG 3.31Å; S277-Q279 PolarHBondContact OG-N 3.46Å; S277-V336 WeakPolarHBondContact O-CG2 3.44Å
278	A	91.7	Very high	94.7	Very high	16 Å²	16	38.7 Å²	38.7	13%	0.132	22%	0.216	C	C	.	.			trans	54.4	17.5	-172.2	0	0	0	0	0	113.9	D274 F334 V336 H360	D274-A278 VanDerWaalsContact O-CA 3.26Å; D274-A278 WeakPolarHBondContact O-CA 3.31Å; D274-A278 PolarHBondContact O-N 3.45Å; A278-F334 HydrophobicContact CB-CB 3.88Å; A278-V336 HydrophobicContact CB-CG2 3.53Å; A278-H360 HydrophobicContact CB-CB 4.16Å
279	Q	93.3	Very high	94.8	Very high	99 Å²	99	34.7 Å²	34.7	46%	0.463	20%	0.197	S	C	.	.			trans	-75.6	135.9	176.5	-69.7	-174.2	-14.1	0	0	110.6	V273 D274 S277 F281	V273-Q279 WeakPolarHBondContact CA-O 3.5Å; D274-Q279 PolarHBondContact N-O 2.82Å; S277-Q279 PolarHBondContact O-N 2.92Å; S277-Q279 WeakPolarHBondContact OG-CB 3.43Å; S277-Q279 WeakPolarHBondContact OG-CG 3.31Å; S277-Q279 PolarHBondContact OG-N 3.46Å; Q279-F281 HydrophobicContact CB-CE2 3.74Å; Q279-F281 HydrophobicContact CB-CZ 3.75Å
280	V	94.1	Very high	94.9	Very high	40 Å²	40	41.5 Å²	41.5	24%	0.242	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	133	179.3	174.7	0	0	0	0	109.9	F264 L272 V273 F334	F264-V280 HydrophobicContact CE1-CG1 3.8Å; F264-V280 HydrophobicContact CE1-CG2 4.25Å; F264-V280 HydrophobicContact CZ-CG1 3.84Å; F264-V280 HydrophobicContact CZ-CG2 4.43Å; L272-V280 CarbonylContact O-C 3.59Å; L272-V280 VanDerWaalsContact O-CA 3.31Å; L272-V280 WeakPolarHBondContact O-CA 3.5Å; V273-V280 HydrophobicContact CG2-CG2 4.41Å; V280-F334 HydrophobicContact CG2-CD2 3.65Å; V280-F334 HydrophobicContact CG2-CE2 3.99Å
281	F	95.3	Very high	94.9	Very high	22 Å²	22	43 Å²	43	10%	0.096	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	151.8	178	-56.6	-79.5	0	0	0	110.7	L254 M261 H271 L272 D274 Q279	L254-F281 HydrophobicContact CB-CD1 3.84Å; L254-F281 HydrophobicContact CB-CE1 4.27Å; L254-F281 HydrophobicContact CB-CG 4.38Å; L254-F281 HydrophobicContact CD1-CB 4.17Å; L254-F281 HydrophobicContact CD1-CG 4.47Å; L254-F281 HydrophobicContact CD2-CB 4.45Å; L254-F281 VanDerWaalsContact O-CE1 3.26Å; L254-F281 WeakPolarHBondContact O-CE1 3.2Å; M261-F281 HydrophobicContact SD-CD2 4.11Å; M261-F281 HydrophobicContact SD-CE2 4.18Å; H271-F281 WeakPolarHBondContact CA-O 3.43Å; L272-F281 HydrophobicContact CB-CB 4.39Å; L272-F281 PolarHBondContact N-O 3.38Å; L272-F281 PolarHBondContact O-N 2.77Å; D274-F281 HydrophobicContact CB-CE2 4.36Å; Q279-F281 HydrophobicContact CB-CE2 3.74Å; Q279-F281 HydrophobicContact CB-CZ 3.75Å
282	E	95.1	Very high	94.8	Very high	113 Å²	113	45.9 Å²	45.9	53%	0.528	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	131.4	177.2	-60.4	-174.3	170.8	0	0	110.1	V269 I270 H271	V269-E282 HydrophobicContact CG2-CB 4.43Å; I270-E282 CarbonylContact O-C 3.5Å; I270-E282 WeakPolarHBondContact O-CA 3.42Å; H271-E282 IonicContact CE1-OE1 2.89Å; H271-E282 PolarHBondContact CE1-OE1 3.37Å; H271-E282 VanDerWaalsContact CE1-OE1 3.31Å; H271-E282 IonicContact ND1-OE1 2.79Å; H271-E282 PolarHBondContact ND1-OE1 3.44Å
283	V	96.6	Very high	94.7	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	116	176.5	-174.9	0	0	0	0	109.3	L254 I270 L272 M287 F293	L254-V283 HydrophobicContact CD1-CG2 4.06Å; L254-V283 HydrophobicContact CD2-CG2 4.48Å; I270-V283 HydrophobicContact CB-CB 4.33Å; I270-V283 PolarHBondContact N-O 3.46Å; I270-V283 PolarHBondContact O-N 3.05Å; L272-V283 HydrophobicContact CD1-CG2 3.88Å; V283-M287 HydrophobicContact CG1-CB 4.04Å; V283-M287 HydrophobicContact CG1-CG 4.07Å; V283-M287 HydrophobicContact CG1-SD 4.41Å; V283-F293 HydrophobicContact CG1-CE1 4.14Å; V283-F293 HydrophobicContact CG2-CE1 4.3Å; V283-F293 HydrophobicContact CG2-CZ 4.48Å
284	S	96.2	Very high	94.4	Very high	46 Å²	46	55.4 Å²	55.4	32%	0.322	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	154.5	175.3	67	0	0	0	0	111.9	M287 Y288	S284-M287 WeakPolarHBondContact O-CA 3.39Å; S284-M287 WeakPolarHBondContact O-CB 3.37Å; S284-M287 PolarHBondContact O-N 2.59Å; S284-M287 WeakPolarHBondContact OG-CB 3.3Å; S284-Y288 PolarHBondContact O-N 3.2Å
285	A	95.5	Very high	94.2	Very high	12 Å²	12	56.6 Å²	56.6	10%	0.099	29%	0.289	C	S	.	.	H	α-helix	trans	-53.9	-44.8	178.5	0	0	0	0	0	113.5	P206 M287 Y288 W289	P206-A285 HydrophobicContact CB-CB 4.06Å; A285-M287 VanDerWaalsContact C-N 3.28Å; A285-M287 PolarHBondContact O-N 2.92Å; A285-Y288 PolarHBondContact O-N 2.9Å; A285-W289 PolarHBondContact O-N 3.31Å
286	P	95.8	Very high	94.1	Very high	102 Å²	102	56.9 Å²	56.9	66%	0.662	29%	0.289	S	S	*	.	H	α-helix	trans	-61.7	-34.4	175.2	-23.9	35.2	0	0	0	113.5	R290	P286-R290 WeakPolarHBondContact O-CB 3.41Å; P286-R290 PolarHBondContact O-N 3.21Å
287	M	96.2	Very high	94	Very high	65 Å²	65	54.8 Å²	54.8	32%	0.32	27%	0.272	S	S	.	.	H	α-helix	trans	-71	-43.6	177	-173.9	172.7	-71.4	0	0	111.4	L250 L254 V283 S284 A285 R290 Y291	L250-M287 HydrophobicContact CD1-CG 3.86Å; L250-M287 HydrophobicContact CD1-SD 3.79Å; L254-M287 HydrophobicContact CD2-SD 4.48Å; V283-M287 HydrophobicContact CG1-CB 4.04Å; V283-M287 HydrophobicContact CG1-CG 4.07Å; V283-M287 HydrophobicContact CG1-SD 4.41Å; S284-M287 WeakPolarHBondContact O-CA 3.39Å; S284-M287 WeakPolarHBondContact O-CB 3.37Å; S284-M287 PolarHBondContact O-N 2.59Å; S284-M287 WeakPolarHBondContact OG-CB 3.3Å; A285-M287 VanDerWaalsContact C-N 3.28Å; A285-M287 PolarHBondContact O-N 2.92Å; M287-R290 PolarHBondContact O-N 3.09Å; M287-Y291 PolarHBondContact O-N 3.36Å
288	Y	96.8	Very high	93.8	Very high	6 Å²	6	53.5 Å²	53.5	2%	0.024	26%	0.262	C	S	.	.	H	α-helix	trans	-56.3	-50.5	173.7	176	-96.9	0	0	0	111.3	A236 P237 V238 I270 S284 A285 R290 Y291 P292 F293	A236-Y288 HydrophobicContact CB-CD1 3.8Å; A236-Y288 HydrophobicContact CB-CE1 3.57Å; A236-Y288 HydrophobicContact CB-CE2 4.49Å; A236-Y288 HydrophobicContact CB-CG 4.38Å; P237-Y288 VanDerWaalsContact CD-OH 3.26Å; P237-Y288 WeakPolarHBondContact CD-OH 3.44Å; P237-Y288 WeakPolarHBondContact CG-OH 3.49Å; V238-Y288 HydrophobicContact CG2-CE2 3.97Å; I270-Y288 HydrophobicContact CD1-CD2 3.68Å; I270-Y288 HydrophobicContact CD1-CE2 4.31Å; I270-Y288 HydrophobicContact CD1-CG 3.98Å; S284-Y288 PolarHBondContact O-N 3.2Å; A285-Y288 PolarHBondContact O-N 2.9Å; Y288-R290 PolarHBondContact O-N 2.83Å; Y288-Y291 CarbonylContact O-C 3.45Å; Y288-Y291 PolarHBondContact O-N 3.49Å; Y288-P292 WeakPolarHBondContact O-CA 3.38Å; Y288-F293 AromaticContact CD2-CD1 3.94Å; Y288-F293 HydrophobicContact CD2-CD1 3.94Å; Y288-F293 AromaticContact CD2-CE1 3.57Å; Y288-F293 HydrophobicContact CD2-CE1 3.57Å; Y288-F293 HydrophobicContact CD2-CE2 4.18Å; Y288-F293 HydrophobicContact CD2-CG 4.41Å; Y288-F293 AromaticContact CD2-CZ 3.71Å; Y288-F293 HydrophobicContact CD2-CZ 3.71Å; Y288-F293 HydrophobicContact CE2-CD1 4.09Å; Y288-F293 HydrophobicContact CE2-CD2 4.06Å; Y288-F293 HydrophobicContact CE2-CE1 4.07Å; Y288-F293 HydrophobicContact CE2-CE2 4.02Å; Y288-F293 HydrophobicContact CE2-CG 4.11Å; Y288-F293 HydrophobicContact CE2-CZ 4.04Å; Y288-F293 PolarHBondContact OH-O 3.19Å; Y288-F293 VanDerWaalsContact OH-O 3.11Å
289	W	95.7	Very high	93.5	Very high	52 Å²	52	53.3 Å²	53.3	20%	0.197	26%	0.257	C	S	.	.	H	α-helix	trans	-69.7	-17	-178.5	-68.8	116.8	0	0	0	114.1	M207 R208 E234 A285	M207-W289 PolarHBondContact O-NE1 3.42Å; R208-W289 HydrophobicContact CB-CD2 4.47Å; R208-W289 HydrophobicContact CB-CG 4.5Å; R208-W289 HydrophobicContact CB-CZ2 4.43Å; R208-W289 HydrophobicContact CG-CD2 4.06Å; R208-W289 HydrophobicContact CG-CH2 4.22Å; R208-W289 HydrophobicContact CG-CZ2 3.68Å; R208-W289 VanDerWaalsContact NH1-CE3 3.29Å; E234-W289 HydrophobicContact CB-CH2 4.36Å; E234-W289 HydrophobicContact CG-CH2 3.78Å; E234-W289 HydrophobicContact CG-CZ2 4.33Å; E234-W289 WeakPolarHBondContact O-CZ2 3.29Å; A285-W289 PolarHBondContact O-N 3.31Å
290	R	96.1	Very high	93	Very high	178 Å²	178	51.9 Å²	51.9	67%	0.672	27%	0.269	S	S	*	.	H	α-helix	trans	-84.8	-36.1	172.5	-172.1	175	177.2	177.1	3.8	112.6	P286 M287 Y288	P286-R290 WeakPolarHBondContact O-CB 3.41Å; P286-R290 PolarHBondContact O-N 3.21Å; M287-R290 PolarHBondContact O-N 3.09Å; Y288-R290 PolarHBondContact O-N 2.83Å
291	Y	95.8	Very high	92.7	Very high	33 Å²	33	53.9 Å²	53.9	13%	0.129	28%	0.275	C	S	.	.	S	Bend	trans	-129.2	71.5	177.7	-54.5	-80.3	0	0	0	109.3	Q249 L250 K253 M287 Y288 F293	Q249-Y291 HydrophobicContact CB-CD1 4.33Å; Q249-Y291 HydrophobicContact CB-CE1 4.29Å; Q249-Y291 VanDerWaalsContact OE1-CE1 3.31Å; L250-Y291 HydrophobicContact CB-CG 4.46Å; L250-Y291 HydrophobicContact CD1-CD2 4.49Å; K253-Y291 HydrophobicContact CD-CE2 4.28Å; K253-Y291 PolarHBondContact NZ-OH 2.79Å; M287-Y291 PolarHBondContact O-N 3.36Å; Y288-Y291 CarbonylContact O-C 3.45Å; Y288-Y291 PolarHBondContact O-N 3.49Å; Y291-F293 PolarHBondContact O-N 3.26Å
292	P	94.9	Very high	92.6	Very high	75 Å²	75	53.7 Å²	53.7	49%	0.487	28%	0.276	S	S	.	.			trans	-65.7	137.7	-174.9	27.2	-34.6	0	0	0	109.9	Y288	Y288-P292 WeakPolarHBondContact O-CA 3.38Å
293	F	94.3	Very high	92.5	Very high	1 Å²	1	53.2 Å²	53.2	0%	0.004	27%	0.273	C	S	.	.			trans	-120.8	151.6	170.5	49.2	-94.1	0	0	0	109.9	V238 V244 C245 L246 L250 I270 L272 V283 Y288 Y291	V238-F293 HydrophobicContact CG1-CE2 4.47Å; V238-F293 HydrophobicContact CG2-CD2 4.16Å; V238-F293 HydrophobicContact CG2-CE2 3.8Å; V244-F293 HydrophobicContact CB-CD2 3.79Å; V244-F293 HydrophobicContact CB-CE2 4.13Å; V244-F293 HydrophobicContact CG1-CD2 3.96Å; V244-F293 HydrophobicContact CG1-CE2 4.04Å; V244-F293 HydrophobicContact CG2-CD2 4.11Å; V244-F293 HydrophobicContact CG2-CE2 4.09Å; C245-F293 VanDerWaalsContact O-CB 3.26Å; C245-F293 WeakPolarHBondContact O-CB 3.47Å; L246-F293 HydrophobicContact CD2-CB 4.25Å; L246-F293 HydrophobicContact CD2-CD1 3.57Å; L246-F293 HydrophobicContact CD2-CD2 4.09Å; L246-F293 HydrophobicContact CD2-CE1 3.76Å; L246-F293 HydrophobicContact CD2-CE2 4.27Å; L246-F293 HydrophobicContact CD2-CG 3.72Å; L246-F293 HydrophobicContact CD2-CZ 4.11Å; L250-F293 HydrophobicContact CD2-CD1 3.54Å; L250-F293 HydrophobicContact CD2-CE1 3.68Å; I270-F293 HydrophobicContact CD1-CZ 4.09Å; I270-F293 HydrophobicContact CG2-CZ 4.37Å; L272-F293 HydrophobicContact CD1-CZ 4.16Å; V283-F293 HydrophobicContact CG1-CE1 4.14Å; V283-F293 HydrophobicContact CG2-CE1 4.3Å; V283-F293 HydrophobicContact CG2-CZ 4.48Å; Y288-F293 AromaticContact CD2-CD1 3.94Å; Y288-F293 HydrophobicContact CD2-CD1 3.94Å; Y288-F293 AromaticContact CD2-CE1 3.57Å; Y288-F293 HydrophobicContact CD2-CE1 3.57Å; Y288-F293 HydrophobicContact CD2-CE2 4.18Å; Y288-F293 HydrophobicContact CD2-CG 4.41Å; Y288-F293 AromaticContact CD2-CZ 3.71Å; Y288-F293 HydrophobicContact CD2-CZ 3.71Å; Y288-F293 HydrophobicContact CE2-CD1 4.09Å; Y288-F293 HydrophobicContact CE2-CD2 4.06Å; Y288-F293 HydrophobicContact CE2-CE1 4.07Å; Y288-F293 HydrophobicContact CE2-CE2 4.02Å; Y288-F293 HydrophobicContact CE2-CG 4.11Å; Y288-F293 HydrophobicContact CE2-CZ 4.04Å; Y288-F293 PolarHBondContact OH-O 3.19Å; Y288-F293 VanDerWaalsContact OH-O 3.11Å; Y291-F293 PolarHBondContact O-N 3.26Å
294	R	87.7	Confident	92.4	Very high	199 Å²	199	58.1 Å²	58.1	75%	0.751	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.1	154.5	178.5	-61.6	-172.8	-177.1	-154.4	3.7	110.7	C245	C245-R294 PolarHBondContact N-O 3.03Å
295	T	90.9	Very high	92.3	Very high	35 Å²	35	56 Å²	56	22%	0.215	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	129.7	172.1	58.2	0	0	0	0	109.7	D242 I243 V244	D242-T295 HydrophobicContact CB-CG2 3.79Å; D242-T295 WeakPolarHBondContact OD2-CG2 3.44Å; I243-T295 CarbonylContact O-C 3.48Å; I243-T295 WeakPolarHBondContact O-CA 3.45Å; V244-T295 HydrophobicContact CG1-CG2 4.3Å
296	I	90.7	Very high	92.3	Very high	12 Å²	12	56 Å²	56	6%	0.062	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	-43.1	170.5	-68.3	166.3	0	0	0	110.4	I243 C245 L260 L374 R379 V381 F386	I243-I296 HydrophobicContact CG2-CB 4.27Å; I243-I296 HydrophobicContact CG2-CD1 4.15Å; I243-I296 PolarHBondContact O-N 3Å; C245-I296 HydrophobicContact CB-CD1 3.56Å; C245-I296 HydrophobicContact CB-CG1 3.92Å; L260-I296 HydrophobicContact CD2-CD1 3.23Å; I296-L374 HydrophobicContact CG2-CD2 4.12Å; I296-R379 PolarHBondContact O-NH2 2.99Å; I296-V381 HydrophobicContact CB-CG1 4.24Å; I296-V381 HydrophobicContact CG1-CG1 4.06Å; I296-V381 HydrophobicContact CG2-CB 4.29Å; I296-V381 HydrophobicContact CG2-CG1 3.62Å; I296-V381 HydrophobicContact CG2-CG2 3.61Å; I296-F386 HydrophobicContact CD1-CD2 4.03Å
297	A	89.9	Confident	92.3	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.008	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	145	178.4	0	0	0	0	0	110.3	I243 E301 L302 L374	I243-A297 HydrophobicContact CD1-CB 4.42Å; I243-A297 PolarHBondContact N-O 3.29Å; A297-E301 VanDerWaalsContact CA-OE2 3.28Å; A297-E301 WeakPolarHBondContact CA-OE2 3.38Å; A297-L302 HydrophobicContact CB-CD2 4.47Å; A297-L374 HydrophobicContact CB-CD1 3.89Å; A297-L374 HydrophobicContact CB-CD2 3.66Å; A297-L374 HydrophobicContact CB-CG 4.35Å
298	Q	87.4	Confident	92.1	Very high	17 Å²	17	50.6 Å²	50.6	8%	0.079	25%	0.246	C	C	.	.			trans	-106.8	167	172	-64.7	-178.6	-0.4	0	0	110	G300 E301	Q298-G300 VanDerWaalsContact C-N 3.26Å; Q298-G300 PolarHBondContact O-N 3.39Å; Q298-G300 VanDerWaalsContact O-N 3.13Å; Q298-E301 PolarHBondContact N-OE2 2.74Å; Q298-E301 VanDerWaalsContact N-OE2 3.13Å; Q298-E301 PolarHBondContact O-N 2.95Å
299	R	85.2	Confident	91.9	Very high	12 Å²	12	53.3 Å²	53.3	5%	0.045	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-47.8	-43.5	-177.5	-176.5	170.9	-176.9	153.5	-3.1	114.3	D241 E301 L302 E439 D440	D241-R299 IonicContact OD2-NH1 2.84Å; R299-E301 PolarHBondContact O-N 3.15Å; R299-L302 WeakPolarHBondContact O-CB 3.48Å; R299-L302 PolarHBondContact O-N 2.82Å; R299-E439 IonicContact CZ-OE2 3.89Å; R299-E439 IonicContact NH2-OE2 3.31Å; R299-E439 PolarHBondContact NH2-OE2 2.86Å; R299-D440 IonicContact NH1-OD1 3.48Å; R299-D440 PolarHBondContact NH1-OD1 3.33Å
300	G	83.9	Confident	91.6	Very high	68 Å²	68	52.7 Å²	52.7	70%	0.701	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-68.4	-10.8	-178	0	0	0	0	0	115.4	Q298	Q298-G300 VanDerWaalsContact C-N 3.26Å; Q298-G300 PolarHBondContact O-N 3.39Å; Q298-G300 VanDerWaalsContact O-N 3.13Å
301	E	87.8	Confident	91.3	Very high	82 Å²	82	48.8 Å²	48.8	38%	0.383	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-108.7	7	179.9	-46.7	170.7	132.8	0	0	112.5	A297 Q298 R299 R379	A297-E301 VanDerWaalsContact CA-OE2 3.28Å; A297-E301 WeakPolarHBondContact CA-OE2 3.38Å; Q298-E301 PolarHBondContact N-OE2 2.74Å; Q298-E301 VanDerWaalsContact N-OE2 3.13Å; Q298-E301 PolarHBondContact O-N 2.95Å; R299-E301 PolarHBondContact O-N 3.15Å; E301-R379 VanDerWaalsContact CB-NH1 3.28Å; E301-R379 PolarHBondContact O-NH1 2.68Å; E301-R379 IonicContact OE1-NH2 2.86Å; E301-R379 PolarHBondContact OE1-NH2 3.05Å; E301-R379 IonicContact OE2-CZ 2.66Å; E301-R379 IonicContact OE2-NH1 2.67Å; E301-R379 IonicContact OE2-NH2 3.02Å; E301-R379 PolarHBondContact OE2-NH2 3.42Å
302	L	91.7	Very high	90.5	Very high	19 Å²	19	50 Å²	50	10%	0.099	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-84.3	145	174.2	-57.1	176.2	0	0	0	109.9	I243 A297 R299 L372 L374 V400	I243-L302 HydrophobicContact CD1-CD2 4.03Å; A297-L302 HydrophobicContact CB-CD2 4.47Å; R299-L302 WeakPolarHBondContact O-CB 3.48Å; R299-L302 PolarHBondContact O-N 2.82Å; L302-L372 HydrophobicContact CB-CB 4.02Å; L302-L372 HydrophobicContact CB-CD2 4.32Å; L302-L372 HydrophobicContact CD1-CB 3.99Å; L302-L374 HydrophobicContact CD2-CB 3.96Å; L302-L374 HydrophobicContact CD2-CD1 4.5Å; L302-V400 HydrophobicContact CD1-CB 3.99Å; L302-V400 HydrophobicContact CD1-CG1 4.12Å; L302-V400 HydrophobicContact CD1-CG2 4.03Å; L302-V400 HydrophobicContact CD2-CG2 4.02Å
303	E	92.5	Very high	89.3	Confident	103 Å²	103	56.2 Å²	56.2	48%	0.481	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	151.4	175.7	-64.5	-173.1	176.5	0	0	110.9	Y305 L372 G373	E303-Y305 HydrophobicContact CB-CE2 4.02Å; E303-Y305 WeakPolarHBondContact O-CD2 3.45Å; E303-L372 WeakPolarHBondContact O-CA 3.21Å; E303-G373 PolarHBondContact N-O 2.86Å; E303-G373 PolarHBondContact O-N 3.13Å
304	E	94.9	Very high	87.6	Confident	102 Å²	102	62 Å²	62	48%	0.477	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	130.3	174.6	-68.9	178.3	178.5	0	0	110.9	T344 V371 L372	E304-T344 PolarHBondContact O-N 2.93Å; E304-T344 PolarHBondContact O-OG1 3.19Å; E304-V371 WeakPolarHBondContact CA-O 3.34Å; E304-L372 HydrophobicContact CG-CD2 3.62Å
305	Y	95.6	Very high	85.9	Confident	1 Å²	1	58.7 Å²	58.7	0%	0.004	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	145.6	173	-69.4	-98.6	0	0	0	109.9	E303 V341 T342 P343 T344 T370 V371 D375 V397	E303-Y305 HydrophobicContact CB-CE2 4.02Å; E303-Y305 WeakPolarHBondContact O-CD2 3.45Å; Y305-V341 HydrophobicContact CD1-CB 4.16Å; Y305-V341 HydrophobicContact CD1-CG2 3.76Å; Y305-V341 HydrophobicContact CE1-CG2 4.4Å; Y305-V341 HydrophobicContact CG-CG2 4.35Å; Y305-T342 CarbonylContact C-O 3.56Å; Y305-T342 VanDerWaalsContact CA-O 3.31Å; Y305-T342 WeakPolarHBondContact CA-O 3.3Å; Y305-P343 HydrophobicContact CD1-CB 4.47Å; Y305-P343 HydrophobicContact CD1-CG 4.18Å; Y305-P343 HydrophobicContact CE1-CB 4.35Å; Y305-P343 HydrophobicContact CE1-CG 3.76Å; Y305-T344 VanDerWaalsContact C-OG1 3.24Å; Y305-T344 PolarHBondContact N-OG1 3.19Å; Y305-T370 CarbonylContact O-C 3.53Å; Y305-T370 WeakPolarHBondContact O-CA 3.15Å; Y305-V371 PolarHBondContact N-O 3.39Å; Y305-V371 PolarHBondContact O-N 3.05Å; Y305-D375 WeakPolarHBondContact OH-CB 3.41Å; Y305-V397 HydrophobicContact CE1-CG1 4.27Å; Y305-V397 HydrophobicContact CE1-CG2 4.23Å; Y305-V397 HydrophobicContact CE2-CG1 4.18Å
306	T	95.2	Very high	84.1	Confident	12 Å²	12	61.9 Å²	61.9	7%	0.074	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	130.4	170.5	-53.4	0	0	0	0	109.2	L308 V341 T342 T344 L347 D369	T306-L308 PolarHBondContact O-N 2.97Å; T306-V341 WeakPolarHBondContact O-CA 3.3Å; T306-T342 PolarHBondContact N-O 3.07Å; T306-T342 PolarHBondContact O-N 3.25Å; T306-T344 PolarHBondContact N-OG1 3.43Å; T306-T344 PolarHBondContact OG1-OG1 2.96Å; T306-T344 VanDerWaalsContact OG1-OG1 3.05Å; T306-L347 HydrophobicContact CG2-CD1 4.07Å; T306-L347 HydrophobicContact CG2-CD2 4.12Å; T306-D369 WeakPolarHBondContact CA-O 3.36Å
307	V	94.3	Very high	82.6	Confident	1 Å²	1	66.1 Å²	66.1	1%	0.006	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	118.3	176.7	178.2	0	0	0	0	109.3	V310 V339 V341 L365 T366 G368 D369 V371	V307-V310 HydrophobicContact CG1-CG2 3.56Å; V307-V339 HydrophobicContact CB-CG1 4.5Å; V307-V339 HydrophobicContact CG1-CG1 3.67Å; V307-V339 HydrophobicContact CG2-CG1 4.32Å; V307-V341 HydrophobicContact CG2-CG1 4.35Å; V307-L365 HydrophobicContact CG2-CD1 4.26Å; V307-T366 WeakPolarHBondContact CB-O 3.44Å; V307-T366 WeakPolarHBondContact CG1-O 3.23Å; V307-G368 PolarHBondContact O-N 3.26Å; V307-D369 HydrophobicContact CB-CB 4.42Å; V307-D369 HydrophobicContact CG2-CB 4.25Å; V307-D369 PolarHBondContact N-O 3.45Å; V307-V371 HydrophobicContact CG2-CG1 3.81Å; V307-V371 HydrophobicContact CG2-CG2 4.07Å
308	L	93.6	Very high	81.3	Confident	53 Å²	53	74.6 Å²	74.6	28%	0.277	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	-45.5	177.8	-61.1	179.8	0	0	0	111.3	T306 L340 T342 L347 Q354 A367	T306-L308 PolarHBondContact O-N 2.97Å; L308-L340 HydrophobicContact CB-CB 4.4Å; L308-L340 HydrophobicContact CB-CD2 4.23Å; L308-L340 HydrophobicContact CB-CG 4.16Å; L308-L340 WeakPolarHBondContact CB-O 3.36Å; L308-L340 HydrophobicContact CD1-CD2 4.21Å; L308-L340 HydrophobicContact CD1-CG 4.13Å; L308-L340 PolarHBondContact N-O 3.49Å; L308-T342 HydrophobicContact CD1-CG2 4.12Å; L308-T342 HydrophobicContact CD2-CG2 4.03Å; L308-T342 HydrophobicContact CG-CG2 4.15Å; L308-L347 HydrophobicContact CD2-CD1 4.15Å; L308-Q354 HydrophobicContact CD1-CG 4.02Å; L308-A367 WeakPolarHBondContact O-CB 3.05Å
309	T	91.7	Very high	80.2	Confident	63 Å²	63	78.5 Å²	78.5	39%	0.387	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	142.7	-176.4	-51.1	0	0	0	0	109.7	E311 V339 L340	T309-E311 HydrophobicContact CG2-CG 4.37Å; T309-V339 WeakPolarHBondContact O-CA 3.39Å; T309-V339 WeakPolarHBondContact O-CG1 3.45Å; T309-L340 PolarHBondContact N-O 3.49Å; T309-L340 PolarHBondContact O-N 3.03Å
310	V	90.6	Very high	79.6	Confident	39 Å²	39	79 Å²	79	24%	0.236	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	115.6	176.1	-179.1	0	0	0	0	107.6	V307 T312 V339 L365	V307-V310 HydrophobicContact CG1-CG2 3.56Å; V310-T312 HydrophobicContact CG1-CG2 3.81Å; V310-V339 HydrophobicContact CB-CG2 4.43Å; V310-V339 HydrophobicContact CG1-CG2 4.12Å; V310-V339 HydrophobicContact CG2-CG1 4.32Å; V310-V339 HydrophobicContact CG2-CG2 4.16Å; V310-L365 HydrophobicContact CG2-CB 4.22Å
311	E	88.3	Confident	79.2	Confident	97 Å²	97	77.8 Å²	77.8	45%	0.453	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	126.7	176.7	-66.3	-178.1	-177	0	0	109.3	T309 D338	T309-E311 HydrophobicContact CG2-CG 4.37Å; E311-D338 WeakPolarHBondContact CA-O 3.47Å; E311-D338 HydrophobicContact CB-CB 4.27Å; E311-D338 PolarHBondContact N-O 2.85Å; E311-D338 PolarHBondContact O-N 2.8Å; E311-D338 VanDerWaalsContact O-O 3.13Å
312	T	79.5	Confident	78.6	Confident	57 Å²	57	75.2 Å²	75.2	35%	0.35	39%	0.388	S	S	.	.			trans	-135.5	147.2	-177.1	90.7	0	0	0	0	110	V310 K314 C362	V310-T312 HydrophobicContact CG1-CG2 3.81Å; T312-K314 PolarHBondContact O-N 3.26Å; T312-K314 PolarHBondContact OG1-N 3.13Å; T312-K314 PolarHBondContact OG1-O 2.99Å; T312-C362 WeakPolarHBondContact CG2-SG 3.17Å
313	E	69.3	Low	77.9	Confident	206 Å²	206	77 Å²	77	96%	0.963	41%	0.406	S	S	*	.	S	Bend	trans	-69.7	-13.1	179	-66.6	-176.5	165.7	0	0	113.5
314	K	59.8	Low	77.3	Confident	123 Å²	123	76.1 Å²	76.1	54%	0.535	40%	0.404	S	S	.	.			trans	-111.1	107.2	-173.8	-71.6	179.8	179	176.5	0	110.2	T312 S316 Y317	T312-K314 PolarHBondContact O-N 3.26Å; T312-K314 PolarHBondContact OG1-N 3.13Å; T312-K314 PolarHBondContact OG1-O 2.99Å; K314-S316 PolarHBondContact O-N 3.34Å; K314-Y317 HydrophobicContact CB-CD2 3.9Å; K314-Y317 HydrophobicContact CB-CE2 3.42Å; K314-Y317 VanDerWaalsContact CB-CE2 3.42Å; K314-Y317 HydrophobicContact CD-CE2 3.59Å; K314-Y317 VanDerWaalsContact CD-OH 3.24Å; K314-Y317 WeakPolarHBondContact CD-OH 3.23Å; K314-Y317 HydrophobicContact CG-CE2 4.12Å
315	S	51.3	Low	76.6	Confident	130 Å²	130	71.4 Å²	71.4	91%	0.909	38%	0.382	S	S	*	.	S	Bend	trans	-66	5.9	-173.1	62.3	0	0	0	0	116.4
316	S	53.9	Low	75.9	Confident	102 Å²	102	72.7 Å²	72.7	71%	0.713	39%	0.388	S	S	*	.			trans	-144.9	76.1	-174.7	66.7	0	0	0	0	111.5	K314	K314-S316 PolarHBondContact O-N 3.34Å
317	Y	58.1	Low	75.1	Confident	100 Å²	100	77.1 Å²	77.1	39%	0.392	42%	0.416	S	S	.	.			trans	-114.3	127.3	166.2	-83.6	-66.9	0	0	0	111	K314 M335	K314-Y317 HydrophobicContact CB-CD2 3.9Å; K314-Y317 HydrophobicContact CB-CE2 3.42Å; K314-Y317 VanDerWaalsContact CB-CE2 3.42Å; K314-Y317 HydrophobicContact CD-CE2 3.59Å; K314-Y317 VanDerWaalsContact CD-OH 3.24Å; K314-Y317 WeakPolarHBondContact CD-OH 3.23Å; K314-Y317 HydrophobicContact CG-CE2 4.12Å; Y317-M335 HydrophobicContact CD2-SD 4.36Å; Y317-M335 HydrophobicContact CE1-CE 3.95Å; Y317-M335 HydrophobicContact CE2-CE 3.68Å; Y317-M335 HydrophobicContact CE2-SD 3.6Å; Y317-M335 VanDerWaalsContact CE2-SD 3.6Å; Y317-M335 WeakPolarHBondContact OH-CE 3.37Å
318	Q	62.3	Low	74.4	Confident	179 Å²	179	80.6 Å²	80.6	84%	0.836	43%	0.429	S	S	*	.	P	Polyproline II helix	trans	-73.6	134.6	159.4	-67.9	172.2	-16.5	0	0	106.7	E320	Q318-E320 PolarHBondContact O-N 2.86Å
319	F	64.3	Low	74	Confident	100 Å²	100	82 Å²	82	44%	0.439	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-47.3	130.7	165.5	168	-110.4	0	0	0	109.7	T366	F319-T366 HydrophobicContact CD2-CG2 3.25Å; F319-T366 HydrophobicContact CE2-CG2 3.6Å; F319-T366 HydrophobicContact CG-CG2 4.27Å
320	E	72.2	Confident	73.5	Confident	23 Å²	23	81 Å²	81	11%	0.107	43%	0.434	C	S	.	.	P	Polyproline II helix	trans	-102.4	135.7	173.2	-75.4	-168	178.3	0	0	110	Q318 D324 R328 R363	Q318-E320 PolarHBondContact O-N 2.86Å; E320-D324 HydrophobicContact CB-CB 4.22Å; E320-D324 HydrophobicContact CG-CB 4.46Å; E320-R328 IonicContact OE1-CZ 3.69Å; E320-R328 IonicContact OE1-NE 3.95Å; E320-R328 PolarHBondContact OE1-NE 3.13Å; E320-R328 IonicContact OE1-NH2 2.92Å; E320-R328 PolarHBondContact OE1-NH2 3.35Å; E320-R328 IonicContact OE2-CZ 2.8Å; E320-R328 IonicContact OE2-NE 2.8Å; E320-R328 PolarHBondContact OE2-NE 2.88Å; E320-R328 IonicContact OE2-NH2 3.63Å; E320-R363 IonicContact OE1-CZ 3.89Å; E320-R363 VanDerWaalsContact OE1-CZ 3.26Å; E320-R363 IonicContact OE1-NE 3.67Å; E320-R363 PolarHBondContact OE1-NE 2.8Å; E320-R363 VanDerWaalsContact OE1-NE 3.11Å; E320-R363 IonicContact OE1-NH2 3.65Å; E320-R363 PolarHBondContact OE1-NH2 3.07Å; E320-R363 WeakPolarHBondContact OE2-CD 3.38Å; E320-R363 IonicContact OE2-CZ 2.67Å; E320-R363 IonicContact OE2-NE 2.64Å; E320-R363 PolarHBondContact OE2-NE 2.95Å; E320-R363 IonicContact OE2-NH2 3.31Å
321	S	75.3	Confident	72.9	Confident	42 Å²	42	88.3 Å²	88.3	29%	0.294	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-63	157.3	171	74	0	0	0	0	110.2	A323 D324 F325	S321-A323 PolarHBondContact O-N 3.36Å; S321-A323 PolarHBondContact OG-N 2.99Å; S321-D324 PolarHBondContact O-N 3.05Å; S321-D324 VanDerWaalsContact O-N 3.09Å; S321-D324 VanDerWaalsContact OG-CG 3.23Å; S321-D324 PolarHBondContact OG-N 3.28Å; S321-D324 PolarHBondContact OG-OD2 3.19Å; S321-F325 PolarHBondContact O-N 3.41Å
322	Y	77	Confident	72.5	Confident	27 Å²	27	89 Å²	89	11%	0.106	47%	0.466	C	S	.	.	H	α-helix	trans	-54.9	-35.7	173.2	-177.6	-92	0	0	0	112.2	F325 I326 L364 Y404 E443 P472	Y322-F325 PolarHBondContact O-N 2.74Å; Y322-I326 HydrophobicContact CE1-CB 4.19Å; Y322-I326 HydrophobicContact CE1-CG1 4.48Å; Y322-I326 HydrophobicContact CE1-CG2 4.29Å; Y322-I326 WeakPolarHBondContact O-CG2 3.28Å; Y322-I326 PolarHBondContact O-N 2.95Å; Y322-L364 HydrophobicContact CD2-CD1 4.12Å; Y322-L364 HydrophobicContact CD2-CD2 4.48Å; Y322-Y404 HydrophobicContact CD2-CE2 4.49Å; Y322-Y404 VanDerWaalsContact CD2-OH 3.22Å; Y322-Y404 WeakPolarHBondContact CD2-OH 3.36Å; Y322-E443 WeakPolarHBondContact CE1-O 3.45Å; Y322-E443 VanDerWaalsContact OH-C 3.23Å; Y322-E443 WeakPolarHBondContact OH-CA 3.34Å; Y322-E443 WeakPolarHBondContact OH-CB 3.48Å; Y322-E443 PolarHBondContact OH-O 2.95Å; Y322-P472 HydrophobicContact CD1-CB 3.74Å; Y322-P472 HydrophobicContact CD1-CG 3.63Å; Y322-P472 HydrophobicContact CD2-CG 3.96Å; Y322-P472 HydrophobicContact CE1-CB 3.65Å; Y322-P472 HydrophobicContact CE1-CG 3.72Å; Y322-P472 HydrophobicContact CE2-CG 4.02Å; Y322-P472 HydrophobicContact CG-CB 4.39Å; Y322-P472 HydrophobicContact CG-CG 3.77Å
323	A	76.5	Confident	72.8	Confident	58 Å²	58	87.9 Å²	87.9	48%	0.479	46%	0.455	S	S	.	.	H	α-helix	trans	-64.3	-40	178.2	0	0	0	0	0	112.5	S321 I326 T327	S321-A323 PolarHBondContact O-N 3.36Å; S321-A323 PolarHBondContact OG-N 2.99Å; A323-I326 WeakPolarHBondContact O-CG2 3.33Å; A323-T327 VanDerWaalsContact O-CG2 3.25Å; A323-T327 WeakPolarHBondContact O-CG2 3.39Å; A323-T327 PolarHBondContact O-N 2.81Å; A323-T327 PolarHBondContact O-OG1 3.32Å
324	D	79.2	Confident	73.7	Confident	83 Å²	83	78.7 Å²	78.7	44%	0.444	41%	0.412	S	S	.	.	H	α-helix	trans	-71	-38.5	176.1	-59.9	-46.5	0	0	0	111.1	E320 S321 I326 T327 R328	E320-D324 HydrophobicContact CB-CB 4.22Å; E320-D324 HydrophobicContact CG-CB 4.46Å; S321-D324 PolarHBondContact O-N 3.05Å; S321-D324 VanDerWaalsContact O-N 3.09Å; S321-D324 VanDerWaalsContact OG-CG 3.23Å; S321-D324 PolarHBondContact OG-N 3.28Å; S321-D324 PolarHBondContact OG-OD2 3.19Å; D324-I326 PolarHBondContact O-N 2.84Å; D324-T327 PolarHBondContact O-OG1 3.26Å; D324-T327 VanDerWaalsContact O-OG1 3.14Å; D324-R328 WeakPolarHBondContact O-CG 3.36Å
325	F	80.7	Confident	75.1	Confident	3 Å²	3	74.2 Å²	74.2	1%	0.013	39%	0.393	C	S	.	.	H	α-helix	trans	-60.8	-45.5	177.2	175.1	-102.6	0	0	0	112.1	S321 Y322 R333 F334 L361 L364	S321-F325 PolarHBondContact O-N 3.41Å; Y322-F325 PolarHBondContact O-N 2.74Å; F325-R333 HydrophobicContact CD1-CG 4.43Å; F325-R333 HydrophobicContact CD2-CG 4.08Å; F325-R333 HydrophobicContact CE1-CG 4.02Å; F325-R333 HydrophobicContact CE2-CG 3.61Å; F325-R333 VanDerWaalsContact CE2-O 3.22Å; F325-R333 WeakPolarHBondContact CE2-O 3.31Å; F325-R333 HydrophobicContact CG-CG 4.47Å; F325-R333 HydrophobicContact CZ-CG 3.58Å; F325-F334 HydrophobicContact CZ-CD1 4.39Å; F325-F334 HydrophobicContact CZ-CE1 4.24Å; F325-L361 HydrophobicContact CZ-CD2 4.19Å; F325-L364 HydrophobicContact CB-CD1 4.15Å; F325-L364 HydrophobicContact CD1-CD1 4.24Å; F325-L364 HydrophobicContact CD1-CD2 4.05Å; F325-L364 HydrophobicContact CD2-CB 4.01Å; F325-L364 HydrophobicContact CE1-CD2 3.88Å; F325-L364 HydrophobicContact CE2-CB 4.04Å; F325-L364 HydrophobicContact CG-CB 4.29Å; F325-L364 HydrophobicContact CG-CD1 4.11Å; F325-L364 HydrophobicContact CZ-CB 4.35Å; F325-L364 HydrophobicContact CZ-CD2 4.24Å
326	I	79.7	Confident	77	Confident	28 Å²	28	70.5 Å²	70.5	14%	0.144	37%	0.365	C	S	.	.	H	α-helix	trans	-78.1	-23.4	-174.3	-159.6	65	0	0	0	113.8	Y322 A323 D324 R328 R333 E443 P445	Y322-I326 HydrophobicContact CE1-CB 4.19Å; Y322-I326 HydrophobicContact CE1-CG1 4.48Å; Y322-I326 HydrophobicContact CE1-CG2 4.29Å; Y322-I326 WeakPolarHBondContact O-CG2 3.28Å; Y322-I326 PolarHBondContact O-N 2.95Å; A323-I326 WeakPolarHBondContact O-CG2 3.33Å; D324-I326 PolarHBondContact O-N 2.84Å; I326-R328 VanDerWaalsContact C-N 3.33Å; I326-R333 VanDerWaalsContact CD1-CZ 3.48Å; I326-R333 VanDerWaalsContact CD1-NH2 3.31Å; I326-E443 WeakPolarHBondContact CG1-O 3.22Å; I326-P445 HydrophobicContact CG1-CG 3.87Å; I326-P445 HydrophobicContact CG2-CG 4.41Å
327	T	79	Confident	78.8	Confident	106 Å²	106	65.9 Å²	65.9	65%	0.65	33%	0.333	S	S	*	.	H	α-helix	trans	-81.5	-12.3	178.9	51.3	0	0	0	0	113.2	A323 D324	A323-T327 VanDerWaalsContact O-CG2 3.25Å; A323-T327 WeakPolarHBondContact O-CG2 3.39Å; A323-T327 PolarHBondContact O-N 2.81Å; A323-T327 PolarHBondContact O-OG1 3.32Å; D324-T327 PolarHBondContact O-OG1 3.26Å; D324-T327 VanDerWaalsContact O-OG1 3.14Å
328	R	80.9	Confident	80.4	Confident	73 Å²	73	63.9 Å²	63.9	28%	0.275	33%	0.329	S	S	.	.	S	Bend	trans	-69.6	148	176.5	-77.8	177.3	177.4	-72.2	-12	112.2	E320 D324 I326 R333	E320-R328 IonicContact OE1-CZ 3.69Å; E320-R328 IonicContact OE1-NE 3.95Å; E320-R328 PolarHBondContact OE1-NE 3.13Å; E320-R328 IonicContact OE1-NH2 2.92Å; E320-R328 PolarHBondContact OE1-NH2 3.35Å; E320-R328 IonicContact OE2-CZ 2.8Å; E320-R328 IonicContact OE2-NE 2.8Å; E320-R328 PolarHBondContact OE2-NE 2.88Å; E320-R328 IonicContact OE2-NH2 3.63Å; D324-R328 WeakPolarHBondContact O-CG 3.36Å; I326-R328 VanDerWaalsContact C-N 3.33Å; R328-R333 HydrophobicContact CB-CB 4.25Å
329	P	83.2	Confident	82	Confident	83 Å²	83	55.4 Å²	55.4	54%	0.539	29%	0.29	S	S	.	.			trans	-57.7	142.5	167.3	-21.2	32	0	0	0	111.4	K331 Q332 R333	P329-K331 PolarHBondContact O-N 2.79Å; P329-Q332 WeakPolarHBondContact O-CA 3.31Å; P329-Q332 PolarHBondContact O-N 3.23Å; P329-R333 PolarHBondContact O-N 3.07Å
330	D	82	Confident	83.4	Confident	43 Å²	43	51.3 Å²	51.3	23%	0.23	27%	0.272	C	S	.	.	H	α-helix	trans	-49.6	-39.4	-174.4	-67.4	-32.8	0	0	0	113.8	F264 Q332 R333 F334	F264-D330 HydrophobicContact CZ-CB 4.36Å; D330-Q332 VanDerWaalsContact C-N 3.27Å; D330-Q332 PolarHBondContact O-N 3.07Å; D330-R333 PolarHBondContact O-N 3.5Å; D330-F334 WeakPolarHBondContact O-CD2 3.28Å
331	K	78.1	Confident	84.5	Confident	191 Å²	191	50.2 Å²	50.2	83%	0.83	27%	0.267	S	S	*	.	H	α-helix	trans	-66.3	-23.5	178.2	-67.5	-174.7	178.3	-179	0	114.7	P329	P329-K331 PolarHBondContact O-N 2.79Å
332	Q	80.2	Confident	85.5	Confident	113 Å²	113	48.5 Å²	48.5	53%	0.528	26%	0.255	S	S	.	.	H	α-helix	trans	-107.2	-14.1	-179.2	-63.7	-178.1	4.6	0	0	112.6	P329 D330	P329-Q332 WeakPolarHBondContact O-CA 3.31Å; P329-Q332 PolarHBondContact O-N 3.23Å; D330-Q332 VanDerWaalsContact C-N 3.27Å; D330-Q332 PolarHBondContact O-N 3.07Å
333	R	84.7	Confident	86.3	Confident	32 Å²	32	47.5 Å²	47.5	12%	0.121	25%	0.252	C	S	.	.	H	α-helix	trans	-65.3	-48.7	176.7	177.3	177.2	176.8	-165.7	-1.6	110.8	F325 I326 R328 P329 D330	F325-R333 HydrophobicContact CD1-CG 4.43Å; F325-R333 HydrophobicContact CD2-CG 4.08Å; F325-R333 HydrophobicContact CE1-CG 4.02Å; F325-R333 HydrophobicContact CE2-CG 3.61Å; F325-R333 VanDerWaalsContact CE2-O 3.22Å; F325-R333 WeakPolarHBondContact CE2-O 3.31Å; F325-R333 HydrophobicContact CG-CG 4.47Å; F325-R333 HydrophobicContact CZ-CG 3.58Å; I326-R333 VanDerWaalsContact CD1-CZ 3.48Å; I326-R333 VanDerWaalsContact CD1-NH2 3.31Å; R328-R333 HydrophobicContact CB-CB 4.25Å; P329-R333 PolarHBondContact O-N 3.07Å; D330-R333 PolarHBondContact O-N 3.5Å
334	F	89.7	Confident	87.1	Confident	13 Å²	13	46.8 Å²	46.8	6%	0.057	24%	0.241	C	C	.	.			trans	-88.9	140.4	-176.6	-56.2	-62.6	0	0	0	112.2	F264 V273 A278 V280 F325 D330 H360 L361	F264-F334 HydrophobicContact CB-CZ 4.1Å; F264-F334 HydrophobicContact CD1-CE2 4.05Å; F264-F334 HydrophobicContact CD1-CZ 4.14Å; F264-F334 HydrophobicContact CD2-CE2 4.01Å; F264-F334 AromaticContact CD2-CZ 3.77Å; F264-F334 HydrophobicContact CD2-CZ 3.77Å; F264-F334 HydrophobicContact CE1-CE2 4.01Å; F264-F334 AromaticContact CE2-CE2 3.97Å; F264-F334 HydrophobicContact CE2-CE2 3.97Å; F264-F334 HydrophobicContact CE2-CZ 4.18Å; F264-F334 HydrophobicContact CG-CE2 4.05Å; F264-F334 AromaticContact CG-CZ 3.73Å; F264-F334 HydrophobicContact CG-CZ 3.73Å; F264-F334 AromaticContact CZ-CE2 3.96Å; F264-F334 HydrophobicContact CZ-CE2 3.96Å; V273-F334 HydrophobicContact CB-CD2 4.47Å; V273-F334 HydrophobicContact CB-CE2 4.37Å; V273-F334 HydrophobicContact CG2-CB 4.39Å; V273-F334 HydrophobicContact CG2-CD2 3.9Å; V273-F334 HydrophobicContact CG2-CE2 4.28Å; V273-F334 HydrophobicContact CG2-CG 4.01Å; A278-F334 HydrophobicContact CB-CB 3.88Å; V280-F334 HydrophobicContact CG2-CD2 3.65Å; V280-F334 HydrophobicContact CG2-CE2 3.99Å; F325-F334 HydrophobicContact CZ-CD1 4.39Å; F325-F334 HydrophobicContact CZ-CE1 4.24Å; D330-F334 WeakPolarHBondContact O-CD2 3.28Å; F334-H360 WeakPolarHBondContact CA-O 3.47Å; F334-H360 HydrophobicContact CB-CB 4.37Å; F334-H360 HydrophobicContact CD1-CB 4.45Å; F334-H360 AromaticContact CD1-CD2 3.44Å; F334-H360 VanDerWaalsContact CD1-CD2 3.44Å; F334-H360 WeakPolarHBondContact CD1-CD2 3.3Å; F334-H360 AromaticContact CE1-CD2 3.62Å; F334-L361 HydrophobicContact CE1-CD2 4.47Å
335	M	89.2	Confident	87.7	Confident	29 Å²	29	47 Å²	47	14%	0.143	25%	0.25	C	C	.	.	B	Isolated β-bridge	trans	-141.6	136	178.2	-173.8	-178.5	-52.8	0	0	109.3	Y317 T359 H360 C362 R363	Y317-M335 HydrophobicContact CD2-SD 4.36Å; Y317-M335 HydrophobicContact CE1-CE 3.95Å; Y317-M335 HydrophobicContact CE2-CE 3.68Å; Y317-M335 HydrophobicContact CE2-SD 3.6Å; Y317-M335 VanDerWaalsContact CE2-SD 3.6Å; Y317-M335 WeakPolarHBondContact OH-CE 3.37Å; M335-T359 VanDerWaalsContact O-O 3.08Å; M335-H360 PolarHBondContact N-O 2.97Å; M335-H360 CarbonylContact O-C 3.55Å; M335-H360 WeakPolarHBondContact O-CA 3.4Å; M335-H360 VanDerWaalsContact O-O 3.08Å; M335-C362 HydrophobicContact CB-CB 4.36Å; M335-C362 WeakPolarHBondContact O-CB 3.44Å; M335-C362 PolarHBondContact O-N 3.43Å; M335-R363 HydrophobicContact CB-CB 4.36Å; M335-R363 HydrophobicContact CE-CB 4.47Å; M335-R363 HydrophobicContact CE-CG 4.47Å
336	V	90.5	Very high	88.2	Confident	52 Å²	52	49.7 Å²	49.7	32%	0.315	26%	0.262	S	S	.	.			trans	-74.2	135.7	174.4	-176.1	0	0	0	0	109.6	A276 S277 A278 T359	A276-V336 VanDerWaalsContact O-CG1 3.24Å; A276-V336 WeakPolarHBondContact O-CG1 3.44Å; A276-V336 WeakPolarHBondContact O-CG2 3.31Å; S277-V336 WeakPolarHBondContact O-CG2 3.44Å; A278-V336 HydrophobicContact CB-CG2 3.53Å; V336-T359 WeakPolarHBondContact CA-O 3.4Å
337	G	91.2	Very high	88.7	Confident	5 Å²	5	52.7 Å²	52.7	5%	0.052	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	162.9	166	0	0	0	0	0	110.6	K358 T359	G337-K358 WeakPolarHBondContact O-CA 3.37Å; G337-T359 PolarHBondContact N-O 3.43Å; G337-T359 PolarHBondContact O-N 3.35Å
338	D	93.2	Very high	89.1	Confident	59 Å²	59	51.5 Å²	51.5	32%	0.316	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	128.7	173.9	-66.6	-44.2	0	0	0	108	E311 K358	E311-D338 WeakPolarHBondContact CA-O 3.47Å; E311-D338 HydrophobicContact CB-CB 4.27Å; E311-D338 PolarHBondContact N-O 2.85Å; E311-D338 PolarHBondContact O-N 2.8Å; E311-D338 VanDerWaalsContact O-O 3.13Å; D338-K358 WeakPolarHBondContact OD1-CG 3.49Å; D338-K358 IonicContact OD1-NZ 3.64Å; D338-K358 PolarHBondContact OD1-NZ 3.12Å; D338-K358 IonicContact OD2-NZ 2.79Å; D338-K358 PolarHBondContact OD2-NZ 2.93Å
339	V	93.9	Very high	89.5	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	134.4	-176.8	-178.8	0	0	0	0	109.5	V307 T309 V310 V341 C357 T359 L365 L399	V307-V339 HydrophobicContact CB-CG1 4.5Å; V307-V339 HydrophobicContact CG1-CG1 3.67Å; V307-V339 HydrophobicContact CG2-CG1 4.32Å; T309-V339 WeakPolarHBondContact O-CA 3.39Å; T309-V339 WeakPolarHBondContact O-CG1 3.45Å; V310-V339 HydrophobicContact CB-CG2 4.43Å; V310-V339 HydrophobicContact CG1-CG2 4.12Å; V310-V339 HydrophobicContact CG2-CG1 4.32Å; V310-V339 HydrophobicContact CG2-CG2 4.16Å; V339-V341 HydrophobicContact CG1-CG1 3.63Å; V339-C357 PolarHBondContact N-O 3.41Å; V339-C357 PolarHBondContact O-N 3.24Å; V339-T359 HydrophobicContact CB-CG2 4.24Å; V339-T359 HydrophobicContact CG2-CG2 3.4Å; V339-T359 VanDerWaalsContact CG2-CG2 3.4Å; V339-L365 HydrophobicContact CG2-CD1 4.48Å; V339-L399 HydrophobicContact CG1-CD1 4.49Å
340	L	95.6	Very high	89.5	Confident	14 Å²	14	58.8 Å²	58.8	7%	0.073	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	117.2	170.3	-176	60.7	0	0	0	108.7	L308 T309 Q354 Y356	L308-L340 HydrophobicContact CB-CB 4.4Å; L308-L340 HydrophobicContact CB-CD2 4.23Å; L308-L340 HydrophobicContact CB-CG 4.16Å; L308-L340 WeakPolarHBondContact CB-O 3.36Å; L308-L340 HydrophobicContact CD1-CD2 4.21Å; L308-L340 HydrophobicContact CD1-CG 4.13Å; L308-L340 PolarHBondContact N-O 3.49Å; T309-L340 PolarHBondContact N-O 3.49Å; T309-L340 PolarHBondContact O-N 3.03Å; L340-Q354 HydrophobicContact CD1-CB 3.9Å; L340-Y356 HydrophobicContact CB-CD1 4.23Å; L340-Y356 HydrophobicContact CB-CE1 3.94Å; L340-Y356 HydrophobicContact CD1-CD1 4.12Å; L340-Y356 HydrophobicContact CD1-CD2 3.66Å; L340-Y356 HydrophobicContact CD1-CE1 4.01Å; L340-Y356 HydrophobicContact CD1-CE2 3.53Å; L340-Y356 HydrophobicContact CD1-CG 3.96Å; L340-Y356 HydrophobicContact CD2-CE2 4.49Å; L340-Y356 HydrophobicContact CG-CE1 4.37Å; L340-Y356 HydrophobicContact CG-CE2 4.49Å
341	V	95.2	Very high	89.7	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	154.8	179.5	-60.1	0	0	0	0	111.9	Y305 T306 V307 V339 Q354 V355 C357 L399	Y305-V341 HydrophobicContact CD1-CB 4.16Å; Y305-V341 HydrophobicContact CD1-CG2 3.76Å; Y305-V341 HydrophobicContact CE1-CG2 4.4Å; Y305-V341 HydrophobicContact CG-CG2 4.35Å; T306-V341 WeakPolarHBondContact O-CA 3.3Å; V307-V341 HydrophobicContact CG2-CG1 4.35Å; V339-V341 HydrophobicContact CG1-CG1 3.63Å; V341-Q354 WeakPolarHBondContact O-CA 3.26Å; V341-V355 HydrophobicContact CG2-CB 4.31Å; V341-V355 PolarHBondContact N-O 2.92Å; V341-V355 PolarHBondContact O-N 2.92Å; V341-C357 VanDerWaalsContact CG2-SG 3.57Å; V341-L399 HydrophobicContact CG1-CD1 3.89Å; V341-L399 HydrophobicContact CG1-CD2 4.34Å
342	T	95.2	Very high	89.9	Confident	6 Å²	6	56 Å²	56	4%	0.037	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	144.6	168.1	-167.6	0	0	0	0	109.3	Y305 T306 L308 T344 L347 K353	Y305-T342 CarbonylContact C-O 3.56Å; Y305-T342 VanDerWaalsContact CA-O 3.31Å; Y305-T342 WeakPolarHBondContact CA-O 3.3Å; T306-T342 PolarHBondContact N-O 3.07Å; T306-T342 PolarHBondContact O-N 3.25Å; L308-T342 HydrophobicContact CD1-CG2 4.12Å; L308-T342 HydrophobicContact CD2-CG2 4.03Å; L308-T342 HydrophobicContact CG-CG2 4.15Å; T342-T344 PolarHBondContact O-N 3.44Å; T342-L347 HydrophobicContact CG2-CD1 3.87Å; T342-K353 WeakPolarHBondContact CB-O 3.5Å; T342-K353 PolarHBondContact OG1-O 2.9Å
343	P	94.9	Very high	90.4	Very high	7 Å²	7	54 Å²	54	5%	0.045	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.2	132.9	172.3	-23.3	32.6	0	0	0	110	Y305 S345 Q346 L347 K353	Y305-P343 HydrophobicContact CD1-CB 4.47Å; Y305-P343 HydrophobicContact CD1-CG 4.18Å; Y305-P343 HydrophobicContact CE1-CB 4.35Å; Y305-P343 HydrophobicContact CE1-CG 3.76Å; P343-S345 PolarHBondContact O-N 2.64Å; P343-S345 VanDerWaalsContact O-N 3.13Å; P343-Q346 HydrophobicContact CB-CB 4.41Å; P343-Q346 HydrophobicContact CB-CG 4.21Å; P343-Q346 HydrophobicContact CG-CG 4.5Å; P343-Q346 WeakPolarHBondContact O-CA 3.48Å; P343-Q346 PolarHBondContact O-N 3.17Å; P343-L347 PolarHBondContact O-N 2.98Å; P343-K353 VanDerWaalsContact CD-O 3.24Å; P343-K353 WeakPolarHBondContact CD-O 3.34Å
344	T	92.8	Very high	90.8	Very high	42 Å²	42	58.2 Å²	58.2	26%	0.258	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-58.5	-32.2	-177	-57.8	0	0	0	0	111.4	E304 Y305 T306 T342 Q346 L347	E304-T344 PolarHBondContact O-N 2.93Å; E304-T344 PolarHBondContact O-OG1 3.19Å; Y305-T344 VanDerWaalsContact C-OG1 3.24Å; Y305-T344 PolarHBondContact N-OG1 3.19Å; T306-T344 PolarHBondContact N-OG1 3.43Å; T306-T344 PolarHBondContact OG1-OG1 2.96Å; T306-T344 VanDerWaalsContact OG1-OG1 3.05Å; T342-T344 PolarHBondContact O-N 3.44Å; T344-Q346 PolarHBondContact O-N 3.13Å; T344-L347 WeakPolarHBondContact O-CB 3.37Å; T344-L347 PolarHBondContact O-N 3.13Å
345	S	91.7	Very high	90.9	Very high	89 Å²	89	57.7 Å²	57.7	62%	0.622	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-65.8	-13	174	66.6	0	0	0	0	114.9	P343 K349	P343-S345 PolarHBondContact O-N 2.64Å; P343-S345 VanDerWaalsContact O-N 3.13Å; S345-K349 VanDerWaalsContact O-CE 3.31Å; S345-K349 WeakPolarHBondContact O-CE 3.42Å; S345-K349 PolarHBondContact O-NZ 3.4Å
346	Q	91.7	Very high	91.1	Very high	59 Å²	59	63.4 Å²	63.4	28%	0.276	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-114.2	0.6	179.5	-58.7	-173.7	20.1	0	0	113.3	P343 T344 G348 K349	P343-Q346 HydrophobicContact CB-CB 4.41Å; P343-Q346 HydrophobicContact CB-CG 4.21Å; P343-Q346 HydrophobicContact CG-CG 4.5Å; P343-Q346 WeakPolarHBondContact O-CA 3.48Å; P343-Q346 PolarHBondContact O-N 3.17Å; T344-Q346 PolarHBondContact O-N 3.13Å; Q346-G348 PolarHBondContact O-N 2.97Å; Q346-K349 HydrophobicContact CB-CD 4.3Å; Q346-K349 WeakPolarHBondContact O-CB 3.31Å; Q346-K349 PolarHBondContact O-N 3.18Å
347	L	89.1	Confident	91.2	Very high	91 Å²	91	61.3 Å²	61.3	48%	0.476	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	130.2	177.5	-173.3	66.1	0	0	0	110.7	T306 L308 T342 P343 T344 K349	T306-L347 HydrophobicContact CG2-CD1 4.07Å; T306-L347 HydrophobicContact CG2-CD2 4.12Å; L308-L347 HydrophobicContact CD2-CD1 4.15Å; T342-L347 HydrophobicContact CG2-CD1 3.87Å; P343-L347 PolarHBondContact O-N 2.98Å; T344-L347 WeakPolarHBondContact O-CB 3.37Å; T344-L347 PolarHBondContact O-N 3.13Å; L347-K349 VanDerWaalsContact C-N 3.28Å; L347-K349 PolarHBondContact O-N 3.03Å
348	G	87	Confident	91.3	Very high	81 Å²	81	66 Å²	66	84%	0.835	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.8	-3	-179.1	0	0	0	0	0	115.7	Q346	Q346-G348 PolarHBondContact O-N 2.97Å
349	K	89.8	Confident	91.3	Very high	129 Å²	129	63.2 Å²	63.2	56%	0.561	34%	0.34	S	S	*	.			trans	-76.8	135.1	172.8	-63.2	-177.2	-176	162	0	110.3	S345 Q346 L347 N351 G352	S345-K349 VanDerWaalsContact O-CE 3.31Å; S345-K349 WeakPolarHBondContact O-CE 3.42Å; S345-K349 PolarHBondContact O-NZ 3.4Å; Q346-K349 HydrophobicContact CB-CD 4.3Å; Q346-K349 WeakPolarHBondContact O-CB 3.31Å; Q346-K349 PolarHBondContact O-N 3.18Å; L347-K349 VanDerWaalsContact C-N 3.28Å; L347-K349 PolarHBondContact O-N 3.03Å; K349-N351 PolarHBondContact O-N 2.93Å; K349-N351 VanDerWaalsContact O-N 3.17Å; K349-G352 PolarHBondContact O-N 3.33Å
350	L	83.9	Confident	91.2	Very high	180 Å²	180	63.3 Å²	63.3	94%	0.942	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-32	178.1	-73	161.4	0	0	0	113.4
351	N	85.2	Confident	91	Very high	158 Å²	158	63 Å²	63	85%	0.845	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109	26.4	178.7	-60.6	-11.9	0	0	0	112.3	K349 K353	K349-N351 PolarHBondContact O-N 2.93Å; K349-N351 VanDerWaalsContact O-N 3.17Å; N351-K353 PolarHBondContact O-N 3.26Å
352	G	84.2	Confident	90.8	Very high	18 Å²	18	63.3 Å²	63.3	19%	0.186	34%	0.341	C	S	.	.			trans	-62	131.9	179	0	0	0	0	0	111.6	K349 Q354	K349-G352 PolarHBondContact O-N 3.33Å; G352-Q354 PolarHBondContact O-N 3.28Å
353	K	90.1	Very high	90.3	Very high	69 Å²	69	65 Å²	65	30%	0.3	35%	0.346	S	S	.	.			trans	-62.7	120.8	173.6	-175.2	-177.5	175	-174.6	0	108	T342 P343 N351 V355 D375 T377	T342-K353 WeakPolarHBondContact CB-O 3.5Å; T342-K353 PolarHBondContact OG1-O 2.9Å; P343-K353 VanDerWaalsContact CD-O 3.24Å; P343-K353 WeakPolarHBondContact CD-O 3.34Å; N351-K353 PolarHBondContact O-N 3.26Å; K353-V355 HydrophobicContact CD-CG2 4.11Å; K353-V355 HydrophobicContact CG-CG2 3.9Å; K353-D375 IonicContact NZ-OD1 3.24Å; K353-D375 IonicContact NZ-OD2 2.75Å; K353-D375 PolarHBondContact NZ-OD2 3.46Å; K353-T377 PolarHBondContact NZ-OG1 3.23Å; K353-T377 VanDerWaalsContact NZ-OG1 3.13Å
354	Q	92	Very high	90	Very high	122 Å²	122	64.9 Å²	64.9	57%	0.57	35%	0.345	S	S	*	.			trans	-108.9	131.8	170.8	-62.6	-177.4	8.3	0	0	107.8	L308 L340 V341 G352	L308-Q354 HydrophobicContact CD1-CG 4.02Å; L340-Q354 HydrophobicContact CD1-CB 3.9Å; V341-Q354 WeakPolarHBondContact O-CA 3.26Å; G352-Q354 PolarHBondContact O-N 3.28Å
355	V	92.6	Very high	89.9	Confident	2 Å²	2	63.3 Å²	63.3	1%	0.012	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	126.1	-176.6	-173.9	0	0	0	0	108.6	V341 K353 E396 V397	V341-V355 HydrophobicContact CG2-CB 4.31Å; V341-V355 PolarHBondContact N-O 2.92Å; V341-V355 PolarHBondContact O-N 2.92Å; K353-V355 HydrophobicContact CD-CG2 4.11Å; K353-V355 HydrophobicContact CG-CG2 3.9Å; V355-E396 HydrophobicContact CG1-CB 3.97Å; V355-V397 HydrophobicContact CB-CG2 4.27Å; V355-V397 HydrophobicContact CG1-CB 4.2Å; V355-V397 HydrophobicContact CG1-CG2 3.9Å; V355-V397 HydrophobicContact CG2-CG2 4.19Å
356	Y	93.6	Very high	89.7	Confident	148 Å²	148	61.4 Å²	61.4	58%	0.58	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.4	122.3	166.6	-79.5	-84.5	0	0	0	108.9	L340	L340-Y356 HydrophobicContact CB-CD1 4.23Å; L340-Y356 HydrophobicContact CB-CE1 3.94Å; L340-Y356 HydrophobicContact CD1-CD1 4.12Å; L340-Y356 HydrophobicContact CD1-CD2 3.66Å; L340-Y356 HydrophobicContact CD1-CE1 4.01Å; L340-Y356 HydrophobicContact CD1-CE2 3.53Å; L340-Y356 HydrophobicContact CD1-CG 3.96Å; L340-Y356 HydrophobicContact CD2-CE2 4.49Å; L340-Y356 HydrophobicContact CG-CE1 4.37Å; L340-Y356 HydrophobicContact CG-CE2 4.49Å
357	C	92.3	Very high	89.6	Confident	9 Å²	9	61.9 Å²	61.9	6%	0.061	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	146.2	177.7	19.7	0	0	0	0	111.8	V339 V341 V397	V339-C357 PolarHBondContact N-O 3.41Å; V339-C357 PolarHBondContact O-N 3.24Å; V341-C357 VanDerWaalsContact CG2-SG 3.57Å; C357-V397 WeakPolarHBondContact CB-O 3.42Å
358	K	93.2	Very high	89.7	Confident	104 Å²	104	60.2 Å²	60.2	45%	0.452	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	137.4	170.8	-78.7	175.5	-175.4	-54	0	109.8	A276 G337 D338	A276-K358 HydrophobicContact CB-CB 4.39Å; G337-K358 WeakPolarHBondContact O-CA 3.37Å; D338-K358 WeakPolarHBondContact OD1-CG 3.49Å; D338-K358 IonicContact OD1-NZ 3.64Å; D338-K358 PolarHBondContact OD1-NZ 3.12Å; D338-K358 IonicContact OD2-NZ 2.79Å; D338-K358 PolarHBondContact OD2-NZ 2.93Å
359	T	93.4	Very high	89.9	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	147.9	177.5	-174.1	0	0	0	0	112.1	P275 M335 V336 G337 V339 L361 C362 L365	P275-T359 CarbonylContact O-C 3.44Å; P275-T359 WeakPolarHBondContact O-CA 3.27Å; M335-T359 VanDerWaalsContact O-O 3.08Å; V336-T359 WeakPolarHBondContact CA-O 3.4Å; G337-T359 PolarHBondContact N-O 3.43Å; G337-T359 PolarHBondContact O-N 3.35Å; V339-T359 HydrophobicContact CB-CG2 4.24Å; V339-T359 HydrophobicContact CG2-CG2 3.4Å; V339-T359 VanDerWaalsContact CG2-CG2 3.4Å; T359-L361 VanDerWaalsContact C-N 3.33Å; T359-L361 PolarHBondContact OG1-N 3.11Å; T359-L361 VanDerWaalsContact OG1-N 3.11Å; T359-C362 HydrophobicContact CG2-CB 4.43Å; T359-L365 HydrophobicContact CG2-CD1 4.25Å
360	H	92.8	Very high	90	Very high	2 Å²	2	53.4 Å²	53.4	1%	0.009	29%	0.291	C	S	.	.	S	Bend	trans	-83.2	-10.1	171.5	66.8	-62.7	0	0	0	112.7	I262 V273 P275 A278 F334 M335 L399	I262-H360 WeakPolarHBondContact CD1-CE1 3.45Å; V273-H360 HydrophobicContact CG2-CB 4.09Å; P275-H360 PolarHBondContact O-N 3.09Å; P275-H360 VanDerWaalsContact O-N 3.13Å; A278-H360 HydrophobicContact CB-CB 4.16Å; F334-H360 WeakPolarHBondContact CA-O 3.47Å; F334-H360 HydrophobicContact CB-CB 4.37Å; F334-H360 HydrophobicContact CD1-CB 4.45Å; F334-H360 AromaticContact CD1-CD2 3.44Å; F334-H360 VanDerWaalsContact CD1-CD2 3.44Å; F334-H360 WeakPolarHBondContact CD1-CD2 3.3Å; F334-H360 AromaticContact CE1-CD2 3.62Å; M335-H360 PolarHBondContact N-O 2.97Å; M335-H360 CarbonylContact O-C 3.55Å; M335-H360 WeakPolarHBondContact O-CA 3.4Å; M335-H360 VanDerWaalsContact O-O 3.08Å; H360-L399 PolarHBondContact CE1-O 3.3Å; H360-L399 VanDerWaalsContact CE1-O 3.29Å
361	L	91.5	Very high	90.6	Very high	7 Å²	7	44.8 Å²	44.8	4%	0.037	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-93.9	10.7	-177.4	-59.7	177.7	0	0	0	113.7	F325 F334 T359 R363 L364 L365	F325-L361 HydrophobicContact CZ-CD2 4.19Å; F334-L361 HydrophobicContact CE1-CD2 4.47Å; T359-L361 VanDerWaalsContact C-N 3.33Å; T359-L361 PolarHBondContact OG1-N 3.11Å; T359-L361 VanDerWaalsContact OG1-N 3.11Å; L361-R363 PolarHBondContact O-N 2.93Å; L361-L364 PolarHBondContact O-N 2.88Å; L361-L365 HydrophobicContact CB-CD1 4.02Å; L361-L365 HydrophobicContact CB-CG 4Å; L361-L365 WeakPolarHBondContact O-CG 3.26Å; L361-L365 PolarHBondContact O-N 2.92Å
362	C	89	Confident	91	Very high	7 Å²	7	37.9 Å²	37.9	5%	0.047	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.1	-37.8	-172.6	179.4	0	0	0	0	113.9	T312 M335 T359 L364	T312-C362 WeakPolarHBondContact CG2-SG 3.17Å; M335-C362 HydrophobicContact CB-CB 4.36Å; M335-C362 WeakPolarHBondContact O-CB 3.44Å; M335-C362 PolarHBondContact O-N 3.43Å; T359-C362 HydrophobicContact CG2-CB 4.43Å; C362-L364 VanDerWaalsContact C-N 3.32Å; C362-L364 PolarHBondContact O-N 3.3Å
363	R	86.6	Confident	91.5	Very high	40 Å²	40	37 Å²	37	15%	0.151	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-27.7	179.7	-166.1	175.6	-166.1	120.9	21.2	114.6	E320 M335 L361	E320-R363 IonicContact OE1-CZ 3.89Å; E320-R363 VanDerWaalsContact OE1-CZ 3.26Å; E320-R363 IonicContact OE1-NE 3.67Å; E320-R363 PolarHBondContact OE1-NE 2.8Å; E320-R363 VanDerWaalsContact OE1-NE 3.11Å; E320-R363 IonicContact OE1-NH2 3.65Å; E320-R363 PolarHBondContact OE1-NH2 3.07Å; E320-R363 WeakPolarHBondContact OE2-CD 3.38Å; E320-R363 IonicContact OE2-CZ 2.67Å; E320-R363 IonicContact OE2-NE 2.64Å; E320-R363 PolarHBondContact OE2-NE 2.95Å; E320-R363 IonicContact OE2-NH2 3.31Å; M335-R363 HydrophobicContact CB-CB 4.36Å; M335-R363 HydrophobicContact CE-CB 4.47Å; M335-R363 HydrophobicContact CE-CG 4.47Å; L361-R363 PolarHBondContact O-N 2.93Å
364	L	87.4	Confident	91.7	Very high	6 Å²	6	34 Å²	34	3%	0.031	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-25	-175.8	179.9	63.2	0	0	0	112.3	Y322 F325 L361 C362 K402	Y322-L364 HydrophobicContact CD2-CD1 4.12Å; Y322-L364 HydrophobicContact CD2-CD2 4.48Å; F325-L364 HydrophobicContact CB-CD1 4.15Å; F325-L364 HydrophobicContact CD1-CD1 4.24Å; F325-L364 HydrophobicContact CD1-CD2 4.05Å; F325-L364 HydrophobicContact CD2-CB 4.01Å; F325-L364 HydrophobicContact CE1-CD2 3.88Å; F325-L364 HydrophobicContact CE2-CB 4.04Å; F325-L364 HydrophobicContact CG-CB 4.29Å; F325-L364 HydrophobicContact CG-CD1 4.11Å; F325-L364 HydrophobicContact CZ-CB 4.35Å; F325-L364 HydrophobicContact CZ-CD2 4.24Å; L361-L364 PolarHBondContact O-N 2.88Å; C362-L364 VanDerWaalsContact C-N 3.32Å; C362-L364 PolarHBondContact O-N 3.3Å; L364-K402 HydrophobicContact CD1-CD 4.33Å; L364-K402 HydrophobicContact CD2-CB 3.84Å; L364-K402 HydrophobicContact CD2-CD 4.17Å; L364-K402 HydrophobicContact CG-CB 4.43Å; L364-K402 HydrophobicContact CG-CD 3.89Å
365	L	90.4	Very high	91.7	Very high	9 Å²	9	28.8 Å²	28.8	5%	0.047	16%	0.164	C	C	.	.			trans	-89.3	135.7	-171.2	-60.7	-177.8	0	0	0	112.3	V307 V310 V339 T359 L361 D369 V371 L399 K402	V307-L365 HydrophobicContact CG2-CD1 4.26Å; V310-L365 HydrophobicContact CG2-CB 4.22Å; V339-L365 HydrophobicContact CG2-CD1 4.48Å; T359-L365 HydrophobicContact CG2-CD1 4.25Å; L361-L365 HydrophobicContact CB-CD1 4.02Å; L361-L365 HydrophobicContact CB-CG 4Å; L361-L365 WeakPolarHBondContact O-CG 3.26Å; L361-L365 PolarHBondContact O-N 2.92Å; L365-D369 WeakPolarHBondContact CA-OD2 3.4Å; L365-V371 HydrophobicContact CD1-CG1 4.01Å; L365-V371 HydrophobicContact CD2-CG1 3.25Å; L365-V371 HydrophobicContact CG-CG1 4.27Å; L365-L399 HydrophobicContact CD1-CD1 4.37Å; L365-K402 HydrophobicContact CD2-CB 4.26Å; L365-K402 HydrophobicContact CD2-CD 4.31Å; L365-K402 HydrophobicContact CD2-CG 4.39Å
366	T	88.9	Confident	91.5	Very high	48 Å²	48	29.4 Å²	29.4	29%	0.294	17%	0.167	S	C	.	.			trans	-119.9	162.4	166.9	57.1	0	0	0	0	110.6	V307 F319 G368 D369	V307-T366 WeakPolarHBondContact CB-O 3.44Å; V307-T366 WeakPolarHBondContact CG1-O 3.23Å; F319-T366 HydrophobicContact CD2-CG2 3.25Å; F319-T366 HydrophobicContact CE2-CG2 3.6Å; F319-T366 HydrophobicContact CG-CG2 4.27Å; T366-G368 PolarHBondContact O-N 2.79Å; T366-D369 PolarHBondContact N-OD2 3.14Å; T366-D369 WeakPolarHBondContact O-CB 3.49Å; T366-D369 PolarHBondContact O-N 2.87Å; T366-D369 VanDerWaalsContact OG1-CG 3.27Å; T366-D369 PolarHBondContact OG1-OD1 3.31Å; T366-D369 PolarHBondContact OG1-OD2 2.98Å; T366-D369 VanDerWaalsContact OG1-OD2 3.14Å
367	A	89.6	Confident	91.2	Very high	69 Å²	69	26.1 Å²	26.1	57%	0.57	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	131.3	171.7	0	0	0	0	0	110.1	L308	L308-A367 WeakPolarHBondContact O-CB 3.05Å
368	G	89.5	Confident	90.7	Very high	57 Å²	57	31 Å²	31	59%	0.588	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	98.2	-13.7	-174.8	0	0	0	0	0	114.4	V307 T366	V307-G368 PolarHBondContact O-N 3.26Å; T366-G368 PolarHBondContact O-N 2.79Å
369	D	91.5	Very high	90	Very high	20 Å²	20	29.1 Å²	29.1	11%	0.107	18%	0.182	C	C	.	.			trans	-65.3	151.4	176.9	-80	-25.9	0	0	0	112.5	T306 V307 L365 T366 K402	T306-D369 WeakPolarHBondContact CA-O 3.36Å; V307-D369 HydrophobicContact CB-CB 4.42Å; V307-D369 HydrophobicContact CG2-CB 4.25Å; V307-D369 PolarHBondContact N-O 3.45Å; L365-D369 WeakPolarHBondContact CA-OD2 3.4Å; T366-D369 PolarHBondContact N-OD2 3.14Å; T366-D369 WeakPolarHBondContact O-CB 3.49Å; T366-D369 PolarHBondContact O-N 2.87Å; T366-D369 VanDerWaalsContact OG1-CG 3.27Å; T366-D369 PolarHBondContact OG1-OD1 3.31Å; T366-D369 PolarHBondContact OG1-OD2 2.98Å; T366-D369 VanDerWaalsContact OG1-OD2 3.14Å; D369-K402 WeakPolarHBondContact OD1-CE 3.47Å; D369-K402 IonicContact OD1-NZ 2.8Å; D369-K402 PolarHBondContact OD1-NZ 3.25Å; D369-K402 VanDerWaalsContact OD2-CE 3.27Å; D369-K402 WeakPolarHBondContact OD2-CE 3.25Å; D369-K402 IonicContact OD2-NZ 2.92Å; D369-K402 PolarHBondContact OD2-NZ 3.38Å
370	T	93.3	Very high	89.3	Confident	46 Å²	46	36.6 Å²	36.6	28%	0.282	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	137.3	168.7	66.7	0	0	0	0	110.3	Y305 S403	Y305-T370 CarbonylContact O-C 3.53Å; Y305-T370 WeakPolarHBondContact O-CA 3.15Å; T370-S403 VanDerWaalsContact CB-OG 3.25Å; T370-S403 WeakPolarHBondContact CB-OG 3.34Å; T370-S403 PolarHBondContact O-N 3.19Å; T370-S403 PolarHBondContact O-OG 3.36Å; T370-S403 PolarHBondContact OG1-O 2.64Å; T370-S403 PolarHBondContact OG1-OG 3.27Å
371	V	95	Very high	88.8	Confident	0 Å²	0	37 Å²	37	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	146.8	-179.6	-62.3	0	0	0	0	110.2	E304 Y305 V307 L365 L399 Q401 S403	E304-V371 WeakPolarHBondContact CA-O 3.34Å; Y305-V371 PolarHBondContact N-O 3.39Å; Y305-V371 PolarHBondContact O-N 3.05Å; V307-V371 HydrophobicContact CG2-CG1 3.81Å; V307-V371 HydrophobicContact CG2-CG2 4.07Å; L365-V371 HydrophobicContact CD1-CG1 4.01Å; L365-V371 HydrophobicContact CD2-CG1 3.25Å; L365-V371 HydrophobicContact CG-CG1 4.27Å; V371-L399 HydrophobicContact CG2-CD1 4.21Å; V371-L399 HydrophobicContact CG2-CD2 3.75Å; V371-L399 HydrophobicContact CG2-CG 4.48Å; V371-Q401 CarbonylContact C-O 3.05Å; V371-Q401 WeakPolarHBondContact CA-O 3.5Å; V371-S403 PolarHBondContact N-OG 3.25Å
372	L	94.7	Very high	88.4	Confident	12 Å²	12	44.5 Å²	44.5	6%	0.063	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	129.2	171.5	-69.6	170.3	0	0	0	109.7	L302 E303 E304 V400 Q401	L302-L372 HydrophobicContact CB-CB 4.02Å; L302-L372 HydrophobicContact CB-CD2 4.32Å; L302-L372 HydrophobicContact CD1-CB 3.99Å; E303-L372 WeakPolarHBondContact O-CA 3.21Å; E304-L372 HydrophobicContact CG-CD2 3.62Å; L372-V400 PolarHBondContact O-N 2.86Å; L372-Q401 HydrophobicContact CB-CG 3.97Å; L372-Q401 HydrophobicContact CD1-CG 3.97Å; L372-Q401 HydrophobicContact CG-CG 4.44Å; L372-Q401 PolarHBondContact N-O 2.84Å
373	G	94.3	Very high	88.3	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	167	-180	0	0	0	0	0	112.6	E303 I398	E303-G373 PolarHBondContact N-O 2.86Å; E303-G373 PolarHBondContact O-N 3.13Å; G373-I398 CarbonylContact C-O 3.16Å; G373-I398 WeakPolarHBondContact CA-O 2.87Å
374	L	93.5	Very high	88.4	Confident	5 Å²	5	49.5 Å²	49.5	3%	0.026	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	122.2	177.4	-176.5	69.3	0	0	0	110.1	I243 I296 A297 L302 L376 V397 I398	I243-L374 HydrophobicContact CD1-CB 3.49Å; I243-L374 VanDerWaalsContact CD1-CB 3.49Å; I243-L374 HydrophobicContact CD1-CD2 3.61Å; I243-L374 HydrophobicContact CD1-CG 4.17Å; I296-L374 HydrophobicContact CG2-CD2 4.12Å; A297-L374 HydrophobicContact CB-CD1 3.89Å; A297-L374 HydrophobicContact CB-CD2 3.66Å; A297-L374 HydrophobicContact CB-CG 4.35Å; L302-L374 HydrophobicContact CD2-CB 3.96Å; L302-L374 HydrophobicContact CD2-CD1 4.5Å; L374-L376 HydrophobicContact CD2-CD2 3.55Å; L374-L376 HydrophobicContact CD2-CG 4.26Å; L374-L376 HydrophobicContact CG-CD2 4.19Å; L374-L376 PolarHBondContact O-N 2.87Å; L374-V397 VanDerWaalsContact O-CA 3.29Å; L374-V397 WeakPolarHBondContact O-CA 3.48Å; L374-I398 PolarHBondContact N-O 2.88Å; L374-I398 PolarHBondContact O-N 2.79Å
375	D	92.4	Very high	88.5	Confident	14 Å²	14	50.6 Å²	50.6	8%	0.075	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	115.1	165.3	-160.2	-25.2	0	0	0	109.7	Y305 K353 T377 R379	Y305-D375 WeakPolarHBondContact OH-CB 3.41Å; K353-D375 IonicContact NZ-OD1 3.24Å; K353-D375 IonicContact NZ-OD2 2.75Å; K353-D375 PolarHBondContact NZ-OD2 3.46Å; D375-T377 VanDerWaalsContact CG-OG1 3.31Å; D375-T377 VanDerWaalsContact OD1-CB 3.31Å; D375-T377 WeakPolarHBondContact OD1-CB 3.45Å; D375-T377 PolarHBondContact OD1-N 2.95Å; D375-T377 PolarHBondContact OD1-OG1 2.61Å; D375-T377 PolarHBondContact OD2-OG1 2.88Å; D375-R379 WeakPolarHBondContact O-CB 3.41Å
376	L	89.2	Confident	88.4	Confident	15 Å²	15	51.5 Å²	51.5	8%	0.079	30%	0.299	C	S	.	.	S	Bend	trans	-88.7	-10.6	176.2	-70.5	175.3	0	0	0	112.4	L260 L374 F386 V394 P395 E396 I398	L260-L376 HydrophobicContact CD1-CD1 4.11Å; L374-L376 HydrophobicContact CD2-CD2 3.55Å; L374-L376 HydrophobicContact CD2-CG 4.26Å; L374-L376 HydrophobicContact CG-CD2 4.19Å; L374-L376 PolarHBondContact O-N 2.87Å; L376-F386 HydrophobicContact CD1-CE2 4.48Å; L376-F386 HydrophobicContact CD2-CE2 4.27Å; L376-F386 HydrophobicContact CD2-CZ 4.12Å; L376-V394 HydrophobicContact CB-CG1 4.25Å; L376-V394 HydrophobicContact CD1-CG1 3.77Å; L376-P395 HydrophobicContact CD1-CG 4.22Å; L376-P395 WeakPolarHBondContact CD1-O 3.36Å; L376-E396 PolarHBondContact N-O 3.14Å; L376-I398 HydrophobicContact CD1-CD1 3.69Å; L376-I398 HydrophobicContact CD1-CG1 4.01Å
377	T	85.7	Confident	88.4	Confident	78 Å²	78	54.5 Å²	54.5	48%	0.479	31%	0.313	S	S	.	.	S	Bend	trans	-76.2	-35.3	-177.8	66.1	0	0	0	0	112.8	K353 D375 E396	K353-T377 PolarHBondContact NZ-OG1 3.23Å; K353-T377 VanDerWaalsContact NZ-OG1 3.13Å; D375-T377 VanDerWaalsContact CG-OG1 3.31Å; D375-T377 VanDerWaalsContact OD1-CB 3.31Å; D375-T377 WeakPolarHBondContact OD1-CB 3.45Å; D375-T377 PolarHBondContact OD1-N 2.95Å; D375-T377 PolarHBondContact OD1-OG1 2.61Å; D375-T377 PolarHBondContact OD2-OG1 2.88Å; T377-E396 HydrophobicContact CG2-CB 3.83Å; T377-E396 HydrophobicContact CG2-CG 3.87Å
378	T	81.7	Confident	88.4	Confident	111 Å²	111	59.2 Å²	59.2	68%	0.681	32%	0.316	S	S	*	.	S	Bend	trans	-97.5	-14	-176.5	53	0	0	0	0	113.1
379	R	79.9	Confident	88.3	Confident	66 Å²	66	57.6 Å²	57.6	25%	0.249	29%	0.294	C	S	.	.			trans	-93.7	131	-167	-171.4	165.9	176	139.8	-4.1	112.9	I296 E301 D375 V381	I296-R379 PolarHBondContact O-NH2 2.99Å; E301-R379 VanDerWaalsContact CB-NH1 3.28Å; E301-R379 PolarHBondContact O-NH1 2.68Å; E301-R379 IonicContact OE1-NH2 2.86Å; E301-R379 PolarHBondContact OE1-NH2 3.05Å; E301-R379 IonicContact OE2-CZ 2.66Å; E301-R379 IonicContact OE2-NH1 2.67Å; E301-R379 IonicContact OE2-NH2 3.02Å; E301-R379 PolarHBondContact OE2-NH2 3.42Å; D375-R379 WeakPolarHBondContact O-CB 3.41Å; R379-V381 HydrophobicContact CG-CG2 4.09Å; R379-V381 PolarHBondContact O-N 2.82Å
380	N	79.1	Confident	88.1	Confident	157 Å²	157	59.2 Å²	59.2	84%	0.84	31%	0.31	S	S	*	.			trans	-89.1	105	170.8	-170.1	4	0	0	0	109.9
381	V	80.4	Confident	87.7	Confident	11 Å²	11	66.3 Å²	66.3	7%	0.067	34%	0.337	C	S	.	.			trans	-96.8	113.1	179.6	-179.6	0	0	0	0	108.9	I296 R379 N383 F386	I296-V381 HydrophobicContact CB-CG1 4.24Å; I296-V381 HydrophobicContact CG1-CG1 4.06Å; I296-V381 HydrophobicContact CG2-CB 4.29Å; I296-V381 HydrophobicContact CG2-CG1 3.62Å; I296-V381 HydrophobicContact CG2-CG2 3.61Å; R379-V381 HydrophobicContact CG-CG2 4.09Å; R379-V381 PolarHBondContact O-N 2.82Å; V381-N383 VanDerWaalsContact C-N 3.3Å; V381-N383 HydrophobicContact CG1-CB 3.71Å; V381-N383 PolarHBondContact O-N 2.9Å; V381-F386 HydrophobicContact CB-CD1 3.87Å; V381-F386 HydrophobicContact CB-CE1 4.07Å; V381-F386 HydrophobicContact CB-CG 4.44Å; V381-F386 HydrophobicContact CG1-CB 4.41Å; V381-F386 HydrophobicContact CG1-CD1 4.17Å; V381-F386 HydrophobicContact CG1-CG 4.27Å; V381-F386 HydrophobicContact CG2-CD1 4.44Å; V381-F386 HydrophobicContact CG2-CE1 4.2Å
382	N	84.6	Confident	87.3	Confident	163 Å²	163	75.5 Å²	75.5	87%	0.872	38%	0.38	S	S	*	.			trans	-79.7	77.9	173.2	-173.6	9.9	0	0	0	110.4
383	N	86.4	Confident	86.9	Confident	16 Å²	16	82.5 Å²	82.5	9%	0.086	41%	0.41	C	S	.	.			trans	-145.9	113.4	179.8	-171.9	-31.7	0	0	0	111.6	V381 D385 F386 D387	V381-N383 VanDerWaalsContact C-N 3.3Å; V381-N383 HydrophobicContact CG1-CB 3.71Å; V381-N383 PolarHBondContact O-N 2.9Å; N383-D385 PolarHBondContact O-N 3.46Å; N383-D385 PolarHBondContact OD1-N 3.05Å; N383-F386 HydrophobicContact CB-CB 3.87Å; N383-F386 WeakPolarHBondContact O-CB 3.5Å; N383-F386 PolarHBondContact O-N 2.73Å; N383-D387 PolarHBondContact O-N 2.84Å
384	E	88.1	Confident	86.7	Confident	137 Å²	137	84.1 Å²	84.1	64%	0.64	42%	0.42	S	S	*	.	H	α-helix	trans	-58	-32.6	-178.4	-61.2	-178.6	-168.9	0	0	114.1	R388	E384-R388 WeakPolarHBondContact O-CD 3.46Å; E384-R388 VanDerWaalsContact O-CG 3.3Å; E384-R388 WeakPolarHBondContact O-CG 3.48Å; E384-R388 PolarHBondContact O-N 3.16Å; E384-R388 IonicContact OE2-NH2 2.8Å; E384-R388 PolarHBondContact OE2-NH2 2.97Å
385	D	89	Confident	86.6	Confident	29 Å²	29	86.3 Å²	86.3	16%	0.155	43%	0.434	C	S	.	.	H	α-helix	trans	-76.4	-29.2	179	-71.3	-51.2	0	0	0	111.6	C245 N383 R388 I389	C245-D385 VanDerWaalsContact SG-C 3.59Å; N383-D385 PolarHBondContact O-N 3.46Å; N383-D385 PolarHBondContact OD1-N 3.05Å; D385-R388 IonicContact OD1-NH1 3.13Å; D385-R388 PolarHBondContact OD1-NH1 2.95Å; D385-R388 VanDerWaalsContact OD1-NH1 3.15Å; D385-I389 WeakPolarHBondContact O-CG1 3.36Å
386	F	89.1	Confident	86.5	Confident	27 Å²	27	90.7 Å²	90.7	12%	0.118	45%	0.454	C	S	.	.	H	α-helix	trans	-71.4	-43.6	174.4	-177.5	-102.6	0	0	0	111	L260 I296 L376 V381 N383 R388 I389 V394	L260-F386 HydrophobicContact CD1-CE2 4.15Å; L260-F386 HydrophobicContact CD2-CD2 3.87Å; L260-F386 HydrophobicContact CD2-CE2 4.04Å; I296-F386 HydrophobicContact CD1-CD2 4.03Å; L376-F386 HydrophobicContact CD1-CE2 4.48Å; L376-F386 HydrophobicContact CD2-CE2 4.27Å; L376-F386 HydrophobicContact CD2-CZ 4.12Å; V381-F386 HydrophobicContact CB-CD1 3.87Å; V381-F386 HydrophobicContact CB-CE1 4.07Å; V381-F386 HydrophobicContact CB-CG 4.44Å; V381-F386 HydrophobicContact CG1-CB 4.41Å; V381-F386 HydrophobicContact CG1-CD1 4.17Å; V381-F386 HydrophobicContact CG1-CG 4.27Å; V381-F386 HydrophobicContact CG2-CD1 4.44Å; V381-F386 HydrophobicContact CG2-CE1 4.2Å; N383-F386 HydrophobicContact CB-CB 3.87Å; N383-F386 WeakPolarHBondContact O-CB 3.5Å; N383-F386 PolarHBondContact O-N 2.73Å; F386-R388 PolarHBondContact O-N 3.47Å; F386-R388 VanDerWaalsContact O-N 3.15Å; F386-I389 HydrophobicContact CD2-CD1 4.16Å; F386-I389 VanDerWaalsContact O-CB 3.31Å; F386-I389 WeakPolarHBondContact O-CB 3.26Å; F386-I389 WeakPolarHBondContact O-CG1 3.5Å; F386-I389 PolarHBondContact O-N 3.29Å; F386-V394 HydrophobicContact CE2-CG1 4.03Å; F386-V394 HydrophobicContact CZ-CG1 3.93Å
387	D	88.8	Confident	86.7	Confident	112 Å²	112	90 Å²	90	60%	0.599	45%	0.45	S	S	*	.	H	α-helix	trans	-62.4	-23.4	179.3	-65.4	-29.5	0	0	0	113.3	N383 I389	N383-D387 PolarHBondContact O-N 2.84Å; D387-I389 VanDerWaalsContact C-N 3.32Å
388	R	89.4	Confident	87.2	Confident	167 Å²	167	86.4 Å²	86.4	63%	0.63	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-10.3	176	-70.3	171.3	-170	151.9	7.3	113.4	E384 D385 F386	E384-R388 WeakPolarHBondContact O-CD 3.46Å; E384-R388 VanDerWaalsContact O-CG 3.3Å; E384-R388 WeakPolarHBondContact O-CG 3.48Å; E384-R388 PolarHBondContact O-N 3.16Å; E384-R388 IonicContact OE2-NH2 2.8Å; E384-R388 PolarHBondContact OE2-NH2 2.97Å; D385-R388 IonicContact OD1-NH1 3.13Å; D385-R388 PolarHBondContact OD1-NH1 2.95Å; D385-R388 VanDerWaalsContact OD1-NH1 3.15Å; F386-R388 PolarHBondContact O-N 3.47Å; F386-R388 VanDerWaalsContact O-N 3.15Å
389	I	88.4	Confident	87.8	Confident	23 Å²	23	81.1 Å²	81.1	12%	0.118	40%	0.396	C	S	.	.	S	Bend	trans	-77.7	133.4	178.6	-55.5	175.5	0	0	0	108.7	Q259 L260 D385 F386 D387 K391 K393 V394	Q259-I389 HydrophobicContact CB-CD1 3.86Å; Q259-I389 HydrophobicContact CB-CG1 4.45Å; L260-I389 HydrophobicContact CD2-CD1 4.39Å; L260-I389 HydrophobicContact CG-CD1 4.16Å; D385-I389 WeakPolarHBondContact O-CG1 3.36Å; F386-I389 HydrophobicContact CD2-CD1 4.16Å; F386-I389 VanDerWaalsContact O-CB 3.31Å; F386-I389 WeakPolarHBondContact O-CB 3.26Å; F386-I389 WeakPolarHBondContact O-CG1 3.5Å; F386-I389 PolarHBondContact O-N 3.29Å; D387-I389 VanDerWaalsContact C-N 3.32Å; I389-K391 PolarHBondContact O-N 3.43Å; I389-K393 HydrophobicContact CG2-CB 4.16Å; I389-V394 HydrophobicContact CB-CG2 4.16Å; I389-V394 HydrophobicContact CG2-CG2 3.64Å
390	A	87.2	Confident	88.5	Confident	54 Å²	54	78.2 Å²	78.2	45%	0.446	39%	0.385	S	S	.	.			trans	-62.8	131.3	173.1	0	0	0	0	0	110	E392 K393	A390-E392 PolarHBondContact O-N 2.82Å; A390-K393 HydrophobicContact CB-CG 4.46Å; A390-K393 WeakPolarHBondContact O-CB 3.49Å; A390-K393 PolarHBondContact O-N 2.92Å
391	K	85.3	Confident	89.1	Confident	195 Å²	195	71.3 Å²	71.3	85%	0.848	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-53.6	-33.1	-176	-66.4	-173.9	177.6	-175	0	113.7	I389 K393 V394	I389-K391 PolarHBondContact O-N 3.43Å; K391-K393 PolarHBondContact O-N 2.94Å; K391-V394 PolarHBondContact O-N 3.32Å
392	E	86.5	Confident	89.6	Confident	194 Å²	194	71.6 Å²	71.6	91%	0.907	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-64.9	-23	177.3	-63	171.7	-172.1	0	0	114	A390	A390-E392 PolarHBondContact O-N 2.82Å
393	K	86.7	Confident	89.9	Confident	159 Å²	159	64.5 Å²	64.5	69%	0.691	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-92.9	-8.3	179.5	-63.3	-173.1	177	-172	0	112.9	I389 A390 K391	I389-K393 HydrophobicContact CG2-CB 4.16Å; A390-K393 HydrophobicContact CB-CG 4.46Å; A390-K393 WeakPolarHBondContact O-CB 3.49Å; A390-K393 PolarHBondContact O-N 2.92Å; K391-K393 PolarHBondContact O-N 2.94Å
394	V	89.5	Confident	90	Very high	34 Å²	34	65.2 Å²	65.2	21%	0.206	31%	0.313	C	S	.	.	S	Bend	trans	-87.4	120.3	-179.2	-176.7	0	0	0	0	107.9	L260 L376 F386 I389 K391	L260-V394 HydrophobicContact CD1-CG1 4.32Å; L376-V394 HydrophobicContact CB-CG1 4.25Å; L376-V394 HydrophobicContact CD1-CG1 3.77Å; F386-V394 HydrophobicContact CE2-CG1 4.03Å; F386-V394 HydrophobicContact CZ-CG1 3.93Å; I389-V394 HydrophobicContact CB-CG2 4.16Å; I389-V394 HydrophobicContact CG2-CG2 3.64Å; K391-V394 PolarHBondContact O-N 3.32Å
395	P	90.9	Very high	90	Very high	50 Å²	50	62.4 Å²	62.4	33%	0.325	30%	0.303	S	S	.	.			trans	-68	152.7	175.5	29.6	-33.9	0	0	0	110.5	L260 L376 I398	L260-P395 HydrophobicContact CD1-CG 4.43Å; L376-P395 HydrophobicContact CD1-CG 4.22Å; L376-P395 WeakPolarHBondContact CD1-O 3.36Å; P395-I398 HydrophobicContact CB-CG1 4.48Å; P395-I398 HydrophobicContact CG-CD1 3.87Å; P395-I398 HydrophobicContact CG-CG1 3.6Å
396	E	91.3	Very high	89.8	Confident	106 Å²	106	64.7 Å²	64.7	50%	0.495	31%	0.309	S	S	.	.	S	Bend	trans	-68.1	-44.9	176.9	-66.3	-173.3	-165.3	0	0	112	V355 L376 T377	V355-E396 HydrophobicContact CG1-CB 3.97Å; L376-E396 PolarHBondContact N-O 3.14Å; T377-E396 HydrophobicContact CG2-CB 3.83Å; T377-E396 HydrophobicContact CG2-CG 3.87Å
397	V	93.6	Very high	89.7	Confident	1 Å²	1	67.4 Å²	67.4	1%	0.006	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	135.9	-179.3	174.7	0	0	0	0	109.7	Y305 V355 C357 L374 L399	Y305-V397 HydrophobicContact CE1-CG1 4.27Å; Y305-V397 HydrophobicContact CE1-CG2 4.23Å; Y305-V397 HydrophobicContact CE2-CG1 4.18Å; V355-V397 HydrophobicContact CB-CG2 4.27Å; V355-V397 HydrophobicContact CG1-CB 4.2Å; V355-V397 HydrophobicContact CG1-CG2 3.9Å; V355-V397 HydrophobicContact CG2-CG2 4.19Å; C357-V397 WeakPolarHBondContact CB-O 3.42Å; L374-V397 VanDerWaalsContact O-CA 3.29Å; L374-V397 WeakPolarHBondContact O-CA 3.48Å; V397-L399 HydrophobicContact CG1-CD2 3.91Å
398	I	94.6	Very high	89.5	Confident	3 Å²	3	63.3 Å²	63.3	2%	0.015	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	118.1	171.5	-62.4	-178.9	0	0	0	108.7	I243 L260 I262 P275 G373 L374 L376 P395 V400	I243-I398 HydrophobicContact CD1-CB 4.3Å; I243-I398 HydrophobicContact CD1-CG2 4.18Å; I243-I398 HydrophobicContact CG2-CD1 4.41Å; L260-I398 HydrophobicContact CB-CD1 4.26Å; L260-I398 HydrophobicContact CD1-CD1 4.15Å; I262-I398 HydrophobicContact CD1-CG2 3.78Å; I262-I398 HydrophobicContact CG1-CG2 4.13Å; P275-I398 HydrophobicContact CB-CG2 4.11Å; P275-I398 HydrophobicContact CG-CG2 4.14Å; G373-I398 CarbonylContact C-O 3.16Å; G373-I398 WeakPolarHBondContact CA-O 2.87Å; L374-I398 PolarHBondContact N-O 2.88Å; L374-I398 PolarHBondContact O-N 2.79Å; L376-I398 HydrophobicContact CD1-CD1 3.69Å; L376-I398 HydrophobicContact CD1-CG1 4.01Å; P395-I398 HydrophobicContact CB-CG1 4.48Å; P395-I398 HydrophobicContact CG-CD1 3.87Å; P395-I398 HydrophobicContact CG-CG1 3.6Å; I398-V400 HydrophobicContact CG2-CG2 4.5Å
399	L	95.5	Very high	89.4	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	129.9	172.7	-55.9	-176.6	0	0	0	109.9	I262 V339 V341 H360 L365 V371 V397	I262-L399 WeakPolarHBondContact CD1-O 3.12Å; V339-L399 HydrophobicContact CG1-CD1 4.49Å; V341-L399 HydrophobicContact CG1-CD1 3.89Å; V341-L399 HydrophobicContact CG1-CD2 4.34Å; H360-L399 PolarHBondContact CE1-O 3.3Å; H360-L399 VanDerWaalsContact CE1-O 3.29Å; L365-L399 HydrophobicContact CD1-CD1 4.37Å; V371-L399 HydrophobicContact CG2-CD1 4.21Å; V371-L399 HydrophobicContact CG2-CD2 3.75Å; V371-L399 HydrophobicContact CG2-CG 4.48Å; V397-L399 HydrophobicContact CG1-CD2 3.91Å
400	V	94.2	Very high	89.3	Confident	4 Å²	4	60 Å²	60	2%	0.024	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	-53.2	-171.1	178.6	0	0	0	0	112	D241 I243 I262 L302 L372 I398	D241-V400 HydrophobicContact CB-CG1 3.76Å; D241-V400 VanDerWaalsContact O-CG1 3.31Å; D241-V400 WeakPolarHBondContact O-CG1 3.47Å; I243-V400 HydrophobicContact CD1-CG2 3.61Å; I243-V400 HydrophobicContact CG1-CG2 3.74Å; I262-V400 HydrophobicContact CD1-CG2 4.46Å; I262-V400 HydrophobicContact CG2-CG1 3.93Å; L302-V400 HydrophobicContact CD1-CB 3.99Å; L302-V400 HydrophobicContact CD1-CG1 4.12Å; L302-V400 HydrophobicContact CD1-CG2 4.03Å; L302-V400 HydrophobicContact CD2-CG2 4.02Å; L372-V400 PolarHBondContact O-N 2.86Å; I398-V400 HydrophobicContact CG2-CG2 4.5Å
401	Q	91.5	Very high	89.2	Confident	13 Å²	13	60.1 Å²	60.1	6%	0.061	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	154.4	-175.2	61.5	179.4	-22.7	0	0	111.3	D241 V371 L372	D241-Q401 PolarHBondContact OD2-OE1 3.2Å; V371-Q401 CarbonylContact C-O 3.05Å; V371-Q401 WeakPolarHBondContact CA-O 3.5Å; L372-Q401 HydrophobicContact CB-CG 3.97Å; L372-Q401 HydrophobicContact CD1-CG 3.97Å; L372-Q401 HydrophobicContact CG-CG 4.44Å; L372-Q401 PolarHBondContact N-O 2.84Å
402	K	91.9	Very high	89.1	Confident	16 Å²	16	53.5 Å²	53.5	7%	0.07	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	129.4	169.3	-177.6	169.2	174	164.5	0	109	L364 L365 D369 Y404	L364-K402 HydrophobicContact CD1-CD 4.33Å; L364-K402 HydrophobicContact CD2-CB 3.84Å; L364-K402 HydrophobicContact CD2-CD 4.17Å; L364-K402 HydrophobicContact CG-CB 4.43Å; L364-K402 HydrophobicContact CG-CD 3.89Å; L365-K402 HydrophobicContact CD2-CB 4.26Å; L365-K402 HydrophobicContact CD2-CD 4.31Å; L365-K402 HydrophobicContact CD2-CG 4.39Å; D369-K402 WeakPolarHBondContact OD1-CE 3.47Å; D369-K402 IonicContact OD1-NZ 2.8Å; D369-K402 PolarHBondContact OD1-NZ 3.25Å; D369-K402 VanDerWaalsContact OD2-CE 3.27Å; D369-K402 WeakPolarHBondContact OD2-CE 3.25Å; D369-K402 IonicContact OD2-NZ 2.92Å; D369-K402 PolarHBondContact OD2-NZ 3.38Å; K402-Y404 HydrophobicContact CB-CE2 4.44Å; K402-Y404 HydrophobicContact CD-CE1 4.35Å; K402-Y404 HydrophobicContact CG-CE2 4.19Å
403	S	89.6	Confident	89.2	Confident	15 Å²	15	45.4 Å²	45.4	11%	0.105	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	152.3	174.6	47.1	0	0	0	0	111.1	T370 V371	T370-S403 VanDerWaalsContact CB-OG 3.25Å; T370-S403 WeakPolarHBondContact CB-OG 3.34Å; T370-S403 PolarHBondContact O-N 3.19Å; T370-S403 PolarHBondContact O-OG 3.36Å; T370-S403 PolarHBondContact OG1-O 2.64Å; T370-S403 PolarHBondContact OG1-OG 3.27Å; V371-S403 PolarHBondContact N-OG 3.25Å
404	Y	88.9	Confident	89.4	Confident	30 Å²	30	38.8 Å²	38.8	12%	0.118	20%	0.198	C	C	.	.			trans	-131.3	155.9	177.9	-62.3	-86.1	0	0	0	108.7	Y322 K402 R406 M471 P472	Y322-Y404 HydrophobicContact CD2-CE2 4.49Å; Y322-Y404 VanDerWaalsContact CD2-OH 3.22Å; Y322-Y404 WeakPolarHBondContact CD2-OH 3.36Å; K402-Y404 HydrophobicContact CB-CE2 4.44Å; K402-Y404 HydrophobicContact CD-CE1 4.35Å; K402-Y404 HydrophobicContact CG-CE2 4.19Å; Y404-R406 PolarHBondContact O-N 2.86Å; Y404-R406 VanDerWaalsContact O-N 3.08Å; Y404-M471 HydrophobicContact CD1-CG 4.07Å; Y404-P472 HydrophobicContact CD2-CG 4.07Å; Y404-P472 HydrophobicContact CE2-CG 3.59Å
405	D	87.2	Confident	89.5	Confident	78 Å²	78	37.8 Å²	37.8	42%	0.417	19%	0.191	S	C	.	.			trans	-62.7	113.5	178.9	-172.7	-24.9	0	0	0	111.2	S407 I408 R409 M471	D405-S407 PolarHBondContact O-N 3.4Å; D405-S407 WeakPolarHBondContact OD1-CA 3.08Å; D405-S407 VanDerWaalsContact OD1-CB 3.23Å; D405-S407 WeakPolarHBondContact OD1-CB 3.29Å; D405-S407 PolarHBondContact OD1-N 3.47Å; D405-S407 PolarHBondContact OD1-OG 2.89Å; D405-I408 HydrophobicContact CB-CB 4.25Å; D405-I408 HydrophobicContact CB-CD1 3.97Å; D405-I408 HydrophobicContact CB-CG1 4.06Å; D405-I408 PolarHBondContact O-N 3.23Å; D405-R409 WeakPolarHBondContact O-CG 3.48Å; D405-R409 PolarHBondContact O-N 3.3Å; D405-M471 HydrophobicContact CB-CE 4.36Å
406	R	85.9	Confident	89.5	Confident	78 Å²	78	39.2 Å²	39.2	29%	0.294	19%	0.192	S	C	.	.	H	α-helix	trans	-61.9	-31.4	-179.5	-61.6	-170.6	-176.4	-157.7	-1.7	112.5	Y404 R410 E436	Y404-R406 PolarHBondContact O-N 2.86Å; Y404-R406 VanDerWaalsContact O-N 3.08Å; R406-R410 WeakPolarHBondContact O-CB 3.47Å; R406-R410 VanDerWaalsContact O-CG 3.26Å; R406-R410 WeakPolarHBondContact O-CG 3.4Å; R406-R410 PolarHBondContact O-N 2.79Å; R406-E436 IonicContact CZ-OE1 3.79Å; R406-E436 IonicContact NH1-OE1 3.82Å; R406-E436 IonicContact NH2-OE1 2.7Å; R406-E436 PolarHBondContact NH2-OE1 3.02Å
407	S	86.2	Confident	89.6	Confident	83 Å²	83	34.8 Å²	34.8	58%	0.58	17%	0.171	S	C	*	.	H	α-helix	trans	-68.8	-45.5	-179.3	-49.2	0	0	0	0	110.7	D405 R410 S411	D405-S407 PolarHBondContact O-N 3.4Å; D405-S407 WeakPolarHBondContact OD1-CA 3.08Å; D405-S407 VanDerWaalsContact OD1-CB 3.23Å; D405-S407 WeakPolarHBondContact OD1-CB 3.29Å; D405-S407 PolarHBondContact OD1-N 3.47Å; D405-S407 PolarHBondContact OD1-OG 2.89Å; S407-R410 PolarHBondContact O-N 2.75Å; S407-S411 PolarHBondContact O-N 3.07Å
408	I	85.7	Confident	89.4	Confident	27 Å²	27	38.9 Å²	38.9	14%	0.138	19%	0.189	C	C	.	.	H	α-helix	trans	-63.9	-48.5	176.3	-60.5	178	0	0	0	109.4	D405 R410 S411 Q412 L465 A468 M471	D405-I408 HydrophobicContact CB-CB 4.25Å; D405-I408 HydrophobicContact CB-CD1 3.97Å; D405-I408 HydrophobicContact CB-CG1 4.06Å; D405-I408 PolarHBondContact O-N 3.23Å; I408-R410 PolarHBondContact O-N 3.49Å; I408-S411 PolarHBondContact O-N 2.85Å; I408-S411 VanDerWaalsContact O-N 3.08Å; I408-S411 PolarHBondContact O-OG 2.81Å; I408-Q412 HydrophobicContact CG2-CG 4.26Å; I408-Q412 WeakPolarHBondContact O-CG 3.48Å; I408-Q412 PolarHBondContact O-N 2.88Å; I408-L465 HydrophobicContact CG2-CD1 4.07Å; I408-A468 HydrophobicContact CG2-CB 4.25Å; I408-M471 HydrophobicContact CB-CE 3.91Å; I408-M471 HydrophobicContact CB-SD 4.06Å; I408-M471 HydrophobicContact CD1-CE 3.94Å; I408-M471 HydrophobicContact CG2-CE 3.74Å; I408-M471 HydrophobicContact CG2-SD 3.61Å
409	R	86.8	Confident	89.1	Confident	9 Å²	9	41.4 Å²	41.4	3%	0.034	20%	0.198	C	C	.	.	H	α-helix	trans	-56.4	-46.5	177.7	-71.2	-178.2	74.2	162.5	9.4	112.8	D405 S411 Q412 R413 E439 E442 E443 M471	D405-R409 WeakPolarHBondContact O-CG 3.48Å; D405-R409 PolarHBondContact O-N 3.3Å; R409-S411 VanDerWaalsContact C-N 3.33Å; R409-S411 PolarHBondContact O-N 3.29Å; R409-Q412 PolarHBondContact O-N 3.37Å; R409-R413 PolarHBondContact O-N 2.72Å; R409-E439 VanDerWaalsContact NH2-CA 3.3Å; R409-E439 PolarHBondContact NH2-O 3.39Å; R409-E439 VanDerWaalsContact NH2-O 3.14Å; R409-E442 IonicContact CZ-OE2 3.26Å; R409-E442 IonicContact NE-OE2 3.49Å; R409-E442 PolarHBondContact NE-OE2 2.71Å; R409-E442 IonicContact NH2-OE2 3.75Å; R409-E442 PolarHBondContact NH2-OE2 2.89Å; R409-E443 IonicContact CZ-OE1 3.36Å; R409-E443 IonicContact NH1-OE1 3.3Å; R409-E443 PolarHBondContact NH1-OE1 2.8Å; R409-E443 IonicContact NH2-OE1 2.71Å; R409-E443 PolarHBondContact NH2-OE1 2.67Å; R409-M471 HydrophobicContact CG-SD 3.99Å
410	R	86.2	Confident	88.5	Confident	110 Å²	110	43 Å²	43	42%	0.415	21%	0.207	S	C	.	.	H	α-helix	trans	-60	-42.7	175.9	-77.3	174.6	175	167.7	2.9	111.9	R406 S407 I408 Q412 R413 D435	R406-R410 WeakPolarHBondContact O-CB 3.47Å; R406-R410 VanDerWaalsContact O-CG 3.26Å; R406-R410 WeakPolarHBondContact O-CG 3.4Å; R406-R410 PolarHBondContact O-N 2.79Å; S407-R410 PolarHBondContact O-N 2.75Å; I408-R410 PolarHBondContact O-N 3.49Å; R410-Q412 VanDerWaalsContact C-N 3.27Å; R410-Q412 PolarHBondContact O-N 3.32Å; R410-R413 PolarHBondContact O-N 3.26Å; R410-D435 IonicContact CZ-OD2 2.95Å; R410-D435 VanDerWaalsContact CZ-OD2 3.28Å; R410-D435 IonicContact NE-OD1 3.26Å; R410-D435 IonicContact NE-OD2 3.74Å; R410-D435 PolarHBondContact NE-OD2 3.06Å; R410-D435 IonicContact NH2-OD2 3.57Å; R410-D435 PolarHBondContact NH2-OD2 3.3Å
411	S	84.8	Confident	87.6	Confident	57 Å²	57	46.7 Å²	46.7	40%	0.399	22%	0.224	S	C	.	.	H	α-helix	trans	-66.4	-28.2	178.1	77.2	0	0	0	0	113.5	S407 I408 R409	S407-S411 PolarHBondContact O-N 3.07Å; I408-S411 PolarHBondContact O-N 2.85Å; I408-S411 VanDerWaalsContact O-N 3.08Å; I408-S411 PolarHBondContact O-OG 2.81Å; R409-S411 VanDerWaalsContact C-N 3.33Å; R409-S411 PolarHBondContact O-N 3.29Å
412	Q	83.8	Confident	86.3	Confident	56 Å²	56	55.2 Å²	55.2	26%	0.262	26%	0.263	S	S	.	.	H	α-helix	trans	-87.5	-8.7	-179.2	-64.4	-65.6	-35.5	0	0	112.9	I408 R409 R410 I414 Q463 A468	I408-Q412 HydrophobicContact CG2-CG 4.26Å; I408-Q412 WeakPolarHBondContact O-CG 3.48Å; I408-Q412 PolarHBondContact O-N 2.88Å; R409-Q412 PolarHBondContact O-N 3.37Å; R410-Q412 VanDerWaalsContact C-N 3.27Å; R410-Q412 PolarHBondContact O-N 3.32Å; Q412-I414 PolarHBondContact O-N 3.23Å; Q412-Q463 PolarHBondContact NE2-O 3.14Å; Q412-A468 HydrophobicContact CG-CB 4.24Å
413	R	89.4	Confident	84.9	Confident	24 Å²	24	57.4 Å²	57.4	9%	0.091	28%	0.278	C	S	.	.			trans	-80.1	102.9	-175.8	-170.1	176.7	-62.6	137.1	0.9	111.8	R409 R410 W415 D435 E442	R409-R413 PolarHBondContact O-N 2.72Å; R410-R413 PolarHBondContact O-N 3.26Å; R413-W415 HydrophobicContact CG-CD2 4.13Å; R413-W415 HydrophobicContact CG-CG 4.25Å; R413-W415 HydrophobicContact CG-CZ2 4.1Å; R413-D435 IonicContact NH1-OD1 2.65Å; R413-D435 PolarHBondContact NH1-OD1 3.34Å; R413-E442 IonicContact CZ-OE1 3.42Å; R413-E442 VanDerWaalsContact CZ-OE1 3.29Å; R413-E442 IonicContact NE-OE1 2.79Å; R413-E442 PolarHBondContact NE-OE1 2.71Å; R413-E442 IonicContact NH2-OE1 3.48Å; R413-E442 PolarHBondContact NH2-OE1 2.86Å; R413-E442 IonicContact NH2-OE2 3.83Å
414	I	89.3	Confident	83.2	Confident	20 Å²	20	66 Å²	66	10%	0.103	32%	0.316	C	S	.	.			trans	-96.6	12.9	178.8	62	168.4	0	0	0	114.1	Q412 D456 V459 P462 L476 I479	Q412-I414 PolarHBondContact O-N 3.23Å; I414-D456 PolarHBondContact O-N 2.87Å; I414-V459 HydrophobicContact CG2-CG1 4.06Å; I414-P462 VanDerWaalsContact CG2-CD 3.44Å; I414-P462 HydrophobicContact CG2-CG 4.22Å; I414-L476 HydrophobicContact CD1-CD2 3.62Å; I414-I479 HydrophobicContact CD1-CD1 4.07Å; I414-I479 HydrophobicContact CG1-CD1 4.1Å
415	W	91.7	Very high	81.8	Confident	14 Å²	14	71.7 Å²	71.7	5%	0.053	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	159.4	-170.9	60.9	-94	0	0	0	111.5	R413 L417 L438 L441 E442 I453 Y454 I474 I479	R413-W415 HydrophobicContact CG-CD2 4.13Å; R413-W415 HydrophobicContact CG-CG 4.25Å; R413-W415 HydrophobicContact CG-CZ2 4.1Å; W415-L417 HydrophobicContact CE3-CD2 4.3Å; W415-L417 HydrophobicContact CZ3-CD1 4.47Å; W415-L417 HydrophobicContact CZ3-CD2 3.93Å; W415-L417 HydrophobicContact CZ3-CG 3.96Å; W415-L438 HydrophobicContact CH2-CB 3.78Å; W415-L438 HydrophobicContact CH2-CD2 3.57Å; W415-L438 HydrophobicContact CH2-CG 4.18Å; W415-L438 HydrophobicContact CZ2-CB 4.38Å; W415-L438 HydrophobicContact CZ3-CD2 3.57Å; W415-L441 HydrophobicContact CH2-CB 4.38Å; W415-L441 HydrophobicContact CH2-CD1 4.38Å; W415-L441 HydrophobicContact CZ3-CD1 4.44Å; W415-E442 HydrophobicContact CZ2-CG 3.74Å; W415-E442 WeakPolarHBondContact CZ2-OE1 2.98Å; W415-I453 HydrophobicContact CB-CG2 3.64Å; W415-I453 HydrophobicContact CD2-CG2 3.81Å; W415-I453 HydrophobicContact CE3-CG2 3.69Å; W415-I453 HydrophobicContact CG-CG2 3.8Å; W415-Y454 CarbonylContact C-O 3.57Å; W415-Y454 WeakPolarHBondContact CA-O 3.36Å; W415-Y454 VanDerWaalsContact CB-O 3.3Å; W415-Y454 WeakPolarHBondContact CB-O 3.49Å; W415-I474 HydrophobicContact CD2-CD1 3.92Å; W415-I474 HydrophobicContact CE3-CD1 4.36Å; W415-I474 HydrophobicContact CH2-CD1 3.91Å; W415-I474 HydrophobicContact CZ2-CD1 3.46Å; W415-I474 VanDerWaalsContact CZ2-CD1 3.46Å; W415-I474 HydrophobicContact CZ2-CG1 4.24Å; W415-I474 HydrophobicContact CZ3-CD1 4.33Å; W415-I479 HydrophobicContact CB-CD1 4.26Å; W415-I479 HydrophobicContact CB-CG2 4.3Å
416	K	91.7	Very high	80.9	Confident	80 Å²	80	70.1 Å²	70.1	35%	0.348	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	166.5	178.3	65.1	175.7	169.7	-152.7	0	111.6	Y454 D456	K416-Y454 PolarHBondContact N-O 2.88Å; K416-Y454 PolarHBondContact O-N 2.98Å; K416-D456 HydrophobicContact CB-CB 4.25Å; K416-D456 HydrophobicContact CD-CB 4.24Å; K416-D456 VanDerWaalsContact CD-OD1 3.3Å; K416-D456 WeakPolarHBondContact CD-OD1 3.43Å; K416-D456 VanDerWaalsContact CE-OD1 3.3Å; K416-D456 WeakPolarHBondContact CE-OD1 3.43Å; K416-D456 HydrophobicContact CG-CB 4.08Å; K416-D456 IonicContact NZ-OD1 3.11Å; K416-D456 PolarHBondContact NZ-OD1 3.22Å
417	L	92.3	Very high	80.5	Confident	12 Å²	12	69.5 Å²	69.5	6%	0.063	35%	0.345	C	S	.	.			trans	-108.2	152.1	174.3	-56.1	177.4	0	0	0	110.5	Q163 W415 F437 L438 L441 V451 I453	Q163-L417 HydrophobicContact CG-CD1 4.11Å; W415-L417 HydrophobicContact CE3-CD2 4.3Å; W415-L417 HydrophobicContact CZ3-CD1 4.47Å; W415-L417 HydrophobicContact CZ3-CD2 3.93Å; W415-L417 HydrophobicContact CZ3-CG 3.96Å; L417-F437 HydrophobicContact CD1-CD1 4.22Å; L417-F437 HydrophobicContact CD1-CE1 3.46Å; L417-F437 VanDerWaalsContact CD1-CE1 3.46Å; L417-F437 HydrophobicContact CD1-CZ 4.26Å; L417-L438 HydrophobicContact CD1-CD2 3.69Å; L417-L438 HydrophobicContact CG-CD2 4.08Å; L417-L441 HydrophobicContact CD1-CD1 3.68Å; L417-L441 HydrophobicContact CD2-CD1 4.26Å; L417-V451 HydrophobicContact CD2-CG1 3.65Å; L417-I453 HydrophobicContact CD2-CG1 4.03Å
418	K	89.9	Confident	80.3	Confident	88 Å²	88	76.1 Å²	76.1	38%	0.383	36%	0.358	S	S	.	.			trans	-77.6	145.8	166.9	-70.7	-180	-176.3	176.3	0	108.8	Q163 L166 Y454 D482	Q163-K418 PolarHBondContact NE2-O 2.93Å; L166-K418 HydrophobicContact CD1-CB 4.28Å; L166-K418 WeakPolarHBondContact CD1-O 3.41Å; K418-Y454 HydrophobicContact CB-CE2 4.18Å; K418-Y454 HydrophobicContact CD-CD2 4.06Å; K418-Y454 HydrophobicContact CD-CE1 4.19Å; K418-Y454 HydrophobicContact CD-CE2 3.52Å; K418-Y454 VanDerWaalsContact CE-CZ 3.5Å; K418-Y454 HydrophobicContact CG-CD2 3.77Å; K418-Y454 HydrophobicContact CG-CE2 3.58Å; K418-D482 WeakPolarHBondContact CE-OD1 3.22Å; K418-D482 IonicContact NZ-OD1 2.72Å; K418-D482 PolarHBondContact NZ-OD1 3.13Å
419	R	89.1	Confident	80.1	Confident	55 Å²	55	77.7 Å²	77.7	21%	0.208	38%	0.375	C	S	.	.			trans	-116.8	147	175.2	-59.3	-69	-65.6	-79	-17.4	108.8	E162 Q421 E426	E162-R419 VanDerWaalsContact OE1-CA 3.29Å; E162-R419 WeakPolarHBondContact OE1-CA 3.32Å; E162-R419 IonicContact OE1-NE 3.66Å; E162-R419 PolarHBondContact OE1-NE 2.93Å; E162-R419 IonicContact OE2-CZ 3.4Å; E162-R419 IonicContact OE2-NE 3.29Å; E162-R419 PolarHBondContact OE2-NE 3.19Å; E162-R419 IonicContact OE2-NH2 2.71Å; R419-Q421 VanDerWaalsContact C-N 3.31Å; R419-E426 IonicContact CZ-OE1 3.37Å; R419-E426 IonicContact NH1-OE1 3.19Å; R419-E426 PolarHBondContact NH1-OE1 3.04Å; R419-E426 IonicContact NH1-OE2 3.51Å; R419-E426 IonicContact NH2-OE1 2.72Å; R419-E426 PolarHBondContact NH2-OE1 3.39Å
420	L	82.6	Confident	79.9	Confident	34 Å²	34	77.9 Å²	77.9	18%	0.178	38%	0.377	C	S	.	.	S	Bend	trans	-64.5	-35.6	175.8	-76.5	169.1	0	0	0	111.6	E162 V165 L166 Y171 I177 F186	E162-L420 HydrophobicContact CB-CD1 4.32Å; E162-L420 HydrophobicContact CG-CB 4.37Å; E162-L420 HydrophobicContact CG-CD1 3.81Å; E162-L420 HydrophobicContact CG-CG 3.88Å; E162-L420 PolarHBondContact OE1-N 3.11Å; V165-L420 HydrophobicContact CG1-CD1 4.37Å; V165-L420 HydrophobicContact CG1-CD2 4.41Å; L166-L420 HydrophobicContact CD1-CG 4.46Å; L166-L420 HydrophobicContact CD2-CD2 3.56Å; L166-L420 HydrophobicContact CD2-CG 4.04Å; L166-L420 HydrophobicContact CG-CD2 3.97Å; L166-L420 HydrophobicContact CG-CG 4.05Å; Y171-L420 HydrophobicContact CD1-CD2 4.04Å; Y171-L420 HydrophobicContact CD2-CD2 4.44Å; Y171-L420 HydrophobicContact CG-CD2 3.82Å; I177-L420 HydrophobicContact CD1-CD1 4.25Å; I177-L420 HydrophobicContact CD1-CD2 4.03Å; F186-L420 HydrophobicContact CE1-CD1 4.4Å
421	Q	75	Confident	79.9	Confident	81 Å²	81	76.2 Å²	76.2	38%	0.379	38%	0.376	S	S	.	.	S	Bend	trans	-135.2	131.8	173.3	-73.3	173.4	-13.3	0	0	108.9	I177 R419 V423	I177-Q421 PolarHBondContact O-NE2 3.49Å; I177-Q421 VanDerWaalsContact O-NE2 3.08Å; R419-Q421 VanDerWaalsContact C-N 3.31Å; Q421-V423 PolarHBondContact O-N 3.23Å
422	Q	64.6	Low	80.1	Confident	192 Å²	192	77 Å²	77	90%	0.897	38%	0.376	S	S	*	.			trans	-74.8	101.9	166.8	-78.9	176.3	-19.1	0	0	107.7
423	V	61.5	Low	80.4	Confident	63 Å²	63	75.4 Å²	75.4	38%	0.382	37%	0.37	S	S	.	.			trans	-86.8	112.3	172	-176.7	0	0	0	0	107.1	Q421 I425 E426	Q421-V423 PolarHBondContact O-N 3.23Å; V423-I425 PolarHBondContact O-N 3.02Å; V423-E426 HydrophobicContact CB-CG 4.02Å; V423-E426 HydrophobicContact CG1-CG 3.93Å
424	E	53.9	Low	80.5	Confident	194 Å²	194	76.1 Å²	76.1	91%	0.907	37%	0.372	S	S	*	.	S	Bend	trans	-66.9	-25.6	-177.6	-67.5	-177.6	165.4	0	0	112.9
425	I	59.6	Low	80.5	Confident	151 Å²	151	76.4 Å²	76.4	77%	0.774	37%	0.374	S	S	*	.			trans	-133.4	95.3	-177.2	-52.2	176.3	0	0	0	109.8	V423	V423-I425 PolarHBondContact O-N 3.02Å
426	E	68.2	Low	80.4	Confident	44 Å²	44	76.4 Å²	76.4	21%	0.206	38%	0.375	C	S	.	.			trans	-93.8	148.9	167.1	-71.9	-173.2	171.1	0	0	110.4	R419 V423 T430 N431	R419-E426 IonicContact CZ-OE1 3.37Å; R419-E426 IonicContact NH1-OE1 3.19Å; R419-E426 PolarHBondContact NH1-OE1 3.04Å; R419-E426 IonicContact NH1-OE2 3.51Å; R419-E426 IonicContact NH2-OE1 2.72Å; R419-E426 PolarHBondContact NH2-OE1 3.39Å; V423-E426 HydrophobicContact CB-CG 4.02Å; V423-E426 HydrophobicContact CG1-CG 3.93Å; E426-T430 HydrophobicContact CB-CG2 4.08Å; E426-T430 HydrophobicContact CG-CG2 4.11Å; E426-N431 VanDerWaalsContact CB-OD1 3.31Å; E426-N431 WeakPolarHBondContact CB-OD1 3.24Å; E426-N431 PolarHBondContact OE2-OD1 3.49Å
427	S	79	Confident	80.5	Confident	65 Å²	65	72.7 Å²	72.7	46%	0.455	36%	0.359	S	S	.	.			trans	-67.7	155.4	175.9	76.6	0	0	0	0	110.8	A429 T430 N431	S427-A429 PolarHBondContact O-N 3.33Å; S427-T430 WeakPolarHBondContact O-CA 3.37Å; S427-T430 WeakPolarHBondContact O-CB 3.16Å; S427-T430 PolarHBondContact O-N 3.03Å; S427-T430 WeakPolarHBondContact OG-CB 3.32Å; S427-T430 PolarHBondContact OG-N 3Å; S427-T430 VanDerWaalsContact OG-N 3.09Å; S427-T430 PolarHBondContact OG-OG1 3.5Å; S427-N431 PolarHBondContact O-N 2.95Å
428	R	81.2	Confident	80.5	Confident	222 Å²	222	72.6 Å²	72.6	84%	0.838	36%	0.358	S	S	*	.	H	α-helix	trans	-53.9	-37.7	173.9	-73.4	-175.5	178.8	175.6	-0.6	112.7	N431 N432	R428-N431 PolarHBondContact O-N 3.18Å; R428-N432 PolarHBondContact O-N 3.21Å
429	A	81.8	Confident	80.6	Confident	61 Å²	61	68.6 Å²	68.6	50%	0.504	34%	0.341	S	S	.	.	H	α-helix	trans	-63.9	-44	175.7	0	0	0	0	0	111.5	S427 N431 N432 D433	S427-A429 PolarHBondContact O-N 3.33Å; A429-N431 VanDerWaalsContact C-N 3.34Å; A429-N431 PolarHBondContact O-N 3.11Å; A429-N432 PolarHBondContact O-N 3.09Å; A429-D433 VanDerWaalsContact O-CG 3.31Å; A429-D433 PolarHBondContact O-N 2.7Å
430	T	83.1	Confident	80.7	Confident	13 Å²	13	66.3 Å²	66.3	8%	0.08	33%	0.332	C	S	.	.	H	α-helix	trans	-63.9	-38.3	177	-54.4	0	0	0	0	112.3	K155 F159 E426 S427 D433 Y434	K155-T430 HydrophobicContact CD-CG2 4.17Å; F159-T430 HydrophobicContact CZ-CG2 3.92Å; E426-T430 HydrophobicContact CB-CG2 4.08Å; E426-T430 HydrophobicContact CG-CG2 4.11Å; S427-T430 WeakPolarHBondContact O-CA 3.37Å; S427-T430 WeakPolarHBondContact O-CB 3.16Å; S427-T430 PolarHBondContact O-N 3.03Å; S427-T430 WeakPolarHBondContact OG-CB 3.32Å; S427-T430 PolarHBondContact OG-N 3Å; S427-T430 VanDerWaalsContact OG-N 3.09Å; S427-T430 PolarHBondContact OG-OG1 3.5Å; T430-D433 PolarHBondContact O-N 3.13Å; T430-Y434 WeakPolarHBondContact O-CB 3.43Å; T430-Y434 PolarHBondContact O-N 2.8Å
431	N	86.4	Confident	81.1	Confident	74 Å²	74	64.7 Å²	64.7	40%	0.396	32%	0.324	S	S	.	.	H	α-helix	trans	-64.6	-41.5	174.9	-69.2	-10	0	0	0	111.8	E426 S427 R428 A429 Y434 D435	E426-N431 VanDerWaalsContact CB-OD1 3.31Å; E426-N431 WeakPolarHBondContact CB-OD1 3.24Å; E426-N431 PolarHBondContact OE2-OD1 3.49Å; S427-N431 PolarHBondContact O-N 2.95Å; R428-N431 PolarHBondContact O-N 3.18Å; A429-N431 VanDerWaalsContact C-N 3.34Å; A429-N431 PolarHBondContact O-N 3.11Å; N431-Y434 PolarHBondContact O-N 3.49Å; N431-D435 PolarHBondContact O-N 2.78Å
432	N	88.3	Confident	81.9	Confident	74 Å²	74	61.2 Å²	61.2	40%	0.396	31%	0.308	S	S	.	.	H	α-helix	trans	-63.8	-45.4	175.5	-71.9	-7.3	0	0	0	111.3	R428 A429 Y434 D435 E436	R428-N432 PolarHBondContact O-N 3.21Å; A429-N432 PolarHBondContact O-N 3.09Å; N432-Y434 PolarHBondContact O-N 2.65Å; N432-D435 PolarHBondContact O-N 2.71Å; N432-E436 WeakPolarHBondContact O-CG 3.22Å; N432-E436 PolarHBondContact O-N 3.3Å
433	D	89.5	Confident	83	Confident	23 Å²	23	52.6 Å²	52.6	12%	0.123	27%	0.268	C	S	.	.	H	α-helix	trans	-58.7	-38.2	174.8	-67.9	-8.2	0	0	0	111.7	H154 K155 R156 F159 A429 T430 F437	H154-D433 VanDerWaalsContact CA-OD2 3.27Å; H154-D433 WeakPolarHBondContact CA-OD2 3.2Å; K155-D433 HydrophobicContact CB-CB 4.49Å; K155-D433 PolarHBondContact N-OD2 3.37Å; R156-D433 WeakPolarHBondContact CG-O 3.19Å; F159-D433 HydrophobicContact CE2-CB 3.99Å; A429-D433 VanDerWaalsContact O-CG 3.31Å; A429-D433 PolarHBondContact O-N 2.7Å; T430-D433 PolarHBondContact O-N 3.13Å; D433-F437 PolarHBondContact O-N 2.55Å
434	Y	90.8	Very high	84.3	Confident	39 Å²	39	50.3 Å²	50.3	15%	0.153	25%	0.253	C	S	.	.	H	α-helix	trans	-68.9	-45.1	178.8	-174.9	-105.5	0	0	0	111	F159 T430 N431 N432 E436 F437 L438	F159-Y434 AromaticContact CD1-CD2 3.95Å; F159-Y434 HydrophobicContact CD1-CD2 3.95Å; F159-Y434 HydrophobicContact CD1-CE2 4.49Å; F159-Y434 AromaticContact CD2-CD2 3.94Å; F159-Y434 HydrophobicContact CD2-CD2 3.94Å; F159-Y434 AromaticContact CE1-CD2 3.98Å; F159-Y434 HydrophobicContact CE1-CD2 3.98Å; F159-Y434 VanDerWaalsContact CE2-CA 3.5Å; F159-Y434 AromaticContact CE2-CD2 3.98Å; F159-Y434 HydrophobicContact CE2-CD2 3.98Å; F159-Y434 HydrophobicContact CE2-CG 4.37Å; F159-Y434 AromaticContact CG-CD2 3.93Å; F159-Y434 HydrophobicContact CG-CD2 3.93Å; F159-Y434 AromaticContact CZ-CD2 3.99Å; F159-Y434 HydrophobicContact CZ-CD2 3.99Å; F159-Y434 HydrophobicContact CZ-CG 4.43Å; T430-Y434 WeakPolarHBondContact O-CB 3.43Å; T430-Y434 PolarHBondContact O-N 2.8Å; N431-Y434 PolarHBondContact O-N 3.49Å; N432-Y434 PolarHBondContact O-N 2.65Å; Y434-E436 VanDerWaalsContact C-N 3.32Å; Y434-E436 PolarHBondContact O-N 3.49Å; Y434-F437 HydrophobicContact CD2-CD1 4.43Å; Y434-F437 HydrophobicContact CE2-CD1 4.39Å; Y434-F437 WeakPolarHBondContact O-CB 3.36Å; Y434-F437 PolarHBondContact O-N 2.78Å; Y434-F437 VanDerWaalsContact O-N 3.12Å; Y434-L438 HydrophobicContact CD1-CD1 4.06Å; Y434-L438 HydrophobicContact CD1-CG 4.31Å; Y434-L438 HydrophobicContact CE1-CD1 3.73Å; Y434-L438 HydrophobicContact CE1-CD2 4.07Å; Y434-L438 HydrophobicContact CE1-CG 4.06Å; Y434-L438 WeakPolarHBondContact O-CG 3.48Å; Y434-L438 PolarHBondContact O-N 3.08Å
435	D	90.1	Very high	85.9	Confident	26 Å²	26	42.8 Å²	42.8	14%	0.139	22%	0.221	C	C	.	.	H	α-helix	trans	-59.3	-42.6	174.4	-83.4	-41.6	0	0	0	112.2	R410 R413 N431 N432 F437 L438 E439	R410-D435 IonicContact CZ-OD2 2.95Å; R410-D435 VanDerWaalsContact CZ-OD2 3.28Å; R410-D435 IonicContact NE-OD1 3.26Å; R410-D435 IonicContact NE-OD2 3.74Å; R410-D435 PolarHBondContact NE-OD2 3.06Å; R410-D435 IonicContact NH2-OD2 3.57Å; R410-D435 PolarHBondContact NH2-OD2 3.3Å; R413-D435 IonicContact NH1-OD1 2.65Å; R413-D435 PolarHBondContact NH1-OD1 3.34Å; N431-D435 PolarHBondContact O-N 2.78Å; N432-D435 PolarHBondContact O-N 2.71Å; D435-F437 VanDerWaalsContact C-N 3.28Å; D435-F437 PolarHBondContact O-N 3.44Å; D435-L438 WeakPolarHBondContact O-CB 3.4Å; D435-L438 PolarHBondContact O-N 3.33Å; D435-L438 VanDerWaalsContact O-N 3.11Å; D435-E439 WeakPolarHBondContact O-CG 3.31Å; D435-E439 PolarHBondContact O-N 3.08Å
436	E	89.8	Confident	87.3	Confident	13 Å²	13	37.6 Å²	37.6	6%	0.061	20%	0.197	C	C	.	.	H	α-helix	trans	-63	-36.2	175.4	-71.7	179.2	-175.5	0	0	111.9	R156 R406 N432 Y434 E439 D440	R156-E436 HydrophobicContact CG-CB 4.37Å; R406-E436 IonicContact CZ-OE1 3.79Å; R406-E436 IonicContact NH1-OE1 3.82Å; R406-E436 IonicContact NH2-OE1 2.7Å; R406-E436 PolarHBondContact NH2-OE1 3.02Å; N432-E436 WeakPolarHBondContact O-CG 3.22Å; N432-E436 PolarHBondContact O-N 3.3Å; Y434-E436 VanDerWaalsContact C-N 3.32Å; Y434-E436 PolarHBondContact O-N 3.49Å; E436-E439 WeakPolarHBondContact O-CB 3.44Å; E436-E439 PolarHBondContact O-N 2.96Å; E436-D440 VanDerWaalsContact O-CG 3.28Å; E436-D440 PolarHBondContact O-N 3.36Å
437	F	93.2	Very high	88.2	Confident	3 Å²	3	36.8 Å²	36.8	1%	0.013	19%	0.193	C	C	.	.	H	α-helix	trans	-65.6	-37.7	172.1	169.6	-114.5	0	0	0	112.6	R156 F159 Y160 Q163 L417 D433 Y434 D435 E439 D440 L441	R156-F437 HydrophobicContact CB-CB 4.37Å; R156-F437 HydrophobicContact CG-CB 4.38Å; F159-F437 HydrophobicContact CB-CB 4.43Å; F159-F437 HydrophobicContact CB-CD1 3.45Å; F159-F437 VanDerWaalsContact CB-CD1 3.45Å; F159-F437 HydrophobicContact CB-CD2 4.33Å; F159-F437 HydrophobicContact CB-CE1 3.65Å; F159-F437 HydrophobicContact CB-CG 3.81Å; F159-F437 HydrophobicContact CB-CZ 4.21Å; F159-F437 HydrophobicContact CD2-CB 4.11Å; F159-F437 HydrophobicContact CD2-CD1 4.38Å; F159-F437 HydrophobicContact CD2-CG 4.39Å; F159-F437 HydrophobicContact CG-CD1 4.23Å; Y160-F437 HydrophobicContact CD2-CE2 4.16Å; Y160-F437 HydrophobicContact CD2-CZ 4.49Å; Y160-F437 HydrophobicContact CG-CE2 4.39Å; Q163-F437 HydrophobicContact CG-CE1 4.14Å; Q163-F437 HydrophobicContact CG-CZ 3.96Å; L417-F437 HydrophobicContact CD1-CD1 4.22Å; L417-F437 HydrophobicContact CD1-CE1 3.46Å; L417-F437 VanDerWaalsContact CD1-CE1 3.46Å; L417-F437 HydrophobicContact CD1-CZ 4.26Å; D433-F437 PolarHBondContact O-N 2.55Å; Y434-F437 HydrophobicContact CD2-CD1 4.43Å; Y434-F437 HydrophobicContact CE2-CD1 4.39Å; Y434-F437 WeakPolarHBondContact O-CB 3.36Å; Y434-F437 PolarHBondContact O-N 2.78Å; Y434-F437 VanDerWaalsContact O-N 3.12Å; D435-F437 VanDerWaalsContact C-N 3.28Å; D435-F437 PolarHBondContact O-N 3.44Å; F437-E439 VanDerWaalsContact C-N 3.33Å; F437-D440 WeakPolarHBondContact O-CB 3.46Å; F437-D440 PolarHBondContact O-N 2.9Å; F437-L441 HydrophobicContact CE1-CD1 3.91Å; F437-L441 HydrophobicContact CE2-CD1 4.21Å; F437-L441 HydrophobicContact CE2-CD2 4.26Å; F437-L441 HydrophobicContact CE2-CG 4.11Å; F437-L441 HydrophobicContact CZ-CD1 3.73Å; F437-L441 HydrophobicContact CZ-CD2 4.32Å; F437-L441 HydrophobicContact CZ-CG 4.12Å; F437-L441 PolarHBondContact O-N 2.99Å; F437-L441 VanDerWaalsContact O-N 3.13Å
438	L	93.1	Very high	88.8	Confident	10 Å²	10	34.4 Å²	34.4	5%	0.052	18%	0.175	C	C	.	.	H	α-helix	trans	-65.6	-39	174.1	-59.8	179.3	0	0	0	111.4	W415 L417 Y434 D435 D440 L441 E442	W415-L438 HydrophobicContact CH2-CB 3.78Å; W415-L438 HydrophobicContact CH2-CD2 3.57Å; W415-L438 HydrophobicContact CH2-CG 4.18Å; W415-L438 HydrophobicContact CZ2-CB 4.38Å; W415-L438 HydrophobicContact CZ3-CD2 3.57Å; L417-L438 HydrophobicContact CD1-CD2 3.69Å; L417-L438 HydrophobicContact CG-CD2 4.08Å; Y434-L438 HydrophobicContact CD1-CD1 4.06Å; Y434-L438 HydrophobicContact CD1-CG 4.31Å; Y434-L438 HydrophobicContact CE1-CD1 3.73Å; Y434-L438 HydrophobicContact CE1-CD2 4.07Å; Y434-L438 HydrophobicContact CE1-CG 4.06Å; Y434-L438 WeakPolarHBondContact O-CG 3.48Å; Y434-L438 PolarHBondContact O-N 3.08Å; D435-L438 WeakPolarHBondContact O-CB 3.4Å; D435-L438 PolarHBondContact O-N 3.33Å; D435-L438 VanDerWaalsContact O-N 3.11Å; L438-D440 VanDerWaalsContact C-N 3.33Å; L438-L441 PolarHBondContact O-N 3.18Å; L438-E442 PolarHBondContact O-N 3.19Å
439	E	91.4	Very high	89.2	Confident	4 Å²	4	30.2 Å²	30.2	2%	0.019	16%	0.164	C	C	.	.	H	α-helix	trans	-61.7	-41.9	173.5	-68.6	171.1	-173.7	0	0	111.4	R299 R409 D435 E436 F437 L441 E442 E443	R299-E439 IonicContact CZ-OE2 3.89Å; R299-E439 IonicContact NH2-OE2 3.31Å; R299-E439 PolarHBondContact NH2-OE2 2.86Å; R409-E439 VanDerWaalsContact NH2-CA 3.3Å; R409-E439 PolarHBondContact NH2-O 3.39Å; R409-E439 VanDerWaalsContact NH2-O 3.14Å; D435-E439 WeakPolarHBondContact O-CG 3.31Å; D435-E439 PolarHBondContact O-N 3.08Å; E436-E439 WeakPolarHBondContact O-CB 3.44Å; E436-E439 PolarHBondContact O-N 2.96Å; F437-E439 VanDerWaalsContact C-N 3.33Å; E439-L441 VanDerWaalsContact C-N 3.27Å; E439-L441 PolarHBondContact O-N 2.83Å; E439-E442 WeakPolarHBondContact O-CB 3.46Å; E439-E442 PolarHBondContact O-N 3.37Å; E439-E443 WeakPolarHBondContact O-CB 3.26Å; E439-E443 WeakPolarHBondContact O-CG 3.36Å; E439-E443 PolarHBondContact O-N 3.15Å
440	D	91.5	Very high	89.5	Confident	6 Å²	6	28.7 Å²	28.7	3%	0.032	15%	0.148	C	C	.	.	H	α-helix	trans	-60.8	-35.9	175.9	-72.8	-25.1	0	0	0	112	R156 K240 R299 E436 F437 L438 E443 D444 L447	R156-D440 IonicContact NH1-OD2 2.69Å; R156-D440 PolarHBondContact NH1-OD2 3.17Å; K240-D440 HydrophobicContact CD-CB 4.41Å; K240-D440 IonicContact NZ-OD1 3.69Å; K240-D440 PolarHBondContact NZ-OD1 2.86Å; R299-D440 IonicContact NH1-OD1 3.48Å; R299-D440 PolarHBondContact NH1-OD1 3.33Å; E436-D440 VanDerWaalsContact O-CG 3.28Å; E436-D440 PolarHBondContact O-N 3.36Å; F437-D440 WeakPolarHBondContact O-CB 3.46Å; F437-D440 PolarHBondContact O-N 2.9Å; L438-D440 VanDerWaalsContact C-N 3.33Å; D440-E443 PolarHBondContact O-N 2.78Å; D440-D444 WeakPolarHBondContact O-CB 3.25Å; D440-D444 PolarHBondContact O-N 2.98Å; D440-L447 HydrophobicContact CB-CD2 4.04Å
441	L	92	Very high	89.9	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-71.9	-37.7	174.7	-68.1	174.3	0	0	0	112.8	W415 L417 F437 L438 E439 E443 L447 R448 V451	W415-L441 HydrophobicContact CH2-CB 4.38Å; W415-L441 HydrophobicContact CH2-CD1 4.38Å; W415-L441 HydrophobicContact CZ3-CD1 4.44Å; L417-L441 HydrophobicContact CD1-CD1 3.68Å; L417-L441 HydrophobicContact CD2-CD1 4.26Å; F437-L441 HydrophobicContact CE1-CD1 3.91Å; F437-L441 HydrophobicContact CE2-CD1 4.21Å; F437-L441 HydrophobicContact CE2-CD2 4.26Å; F437-L441 HydrophobicContact CE2-CG 4.11Å; F437-L441 HydrophobicContact CZ-CD1 3.73Å; F437-L441 HydrophobicContact CZ-CD2 4.32Å; F437-L441 HydrophobicContact CZ-CG 4.12Å; F437-L441 PolarHBondContact O-N 2.99Å; F437-L441 VanDerWaalsContact O-N 3.13Å; L438-L441 PolarHBondContact O-N 3.18Å; E439-L441 VanDerWaalsContact C-N 3.27Å; E439-L441 PolarHBondContact O-N 2.83Å; L441-E443 PolarHBondContact O-N 2.88Å; L441-L447 HydrophobicContact CD2-CD2 3.9Å; L441-L447 HydrophobicContact CD2-CG 3.96Å; L441-R448 HydrophobicContact CD2-CB 4.47Å; L441-R448 VanDerWaalsContact O-CZ 3.25Å; L441-R448 PolarHBondContact O-NE 2.71Å; L441-R448 PolarHBondContact O-NH2 3.29Å; L441-V451 HydrophobicContact CD1-CG1 4.22Å; L441-V451 HydrophobicContact CD2-CB 4.27Å; L441-V451 HydrophobicContact CD2-CG2 3.82Å
442	E	90.9	Very high	90.2	Very high	9 Å²	9	27.3 Å²	27.3	4%	0.042	14%	0.14	C	C	.	.	H	α-helix	trans	-63	-33.5	173.2	-73.9	161.3	-165.7	0	0	111.5	R409 R413 W415 L438 E439 R448 P472 I474	R409-E442 IonicContact CZ-OE2 3.26Å; R409-E442 IonicContact NE-OE2 3.49Å; R409-E442 PolarHBondContact NE-OE2 2.71Å; R409-E442 IonicContact NH2-OE2 3.75Å; R409-E442 PolarHBondContact NH2-OE2 2.89Å; R413-E442 IonicContact CZ-OE1 3.42Å; R413-E442 VanDerWaalsContact CZ-OE1 3.29Å; R413-E442 IonicContact NE-OE1 2.79Å; R413-E442 PolarHBondContact NE-OE1 2.71Å; R413-E442 IonicContact NH2-OE1 3.48Å; R413-E442 PolarHBondContact NH2-OE1 2.86Å; R413-E442 IonicContact NH2-OE2 3.83Å; W415-E442 HydrophobicContact CZ2-CG 3.74Å; W415-E442 WeakPolarHBondContact CZ2-OE1 2.98Å; L438-E442 PolarHBondContact O-N 3.19Å; E439-E442 WeakPolarHBondContact O-CB 3.46Å; E439-E442 PolarHBondContact O-N 3.37Å; E442-R448 PolarHBondContact O-NH2 2.79Å; E442-P472 HydrophobicContact CB-CB 4.42Å; E442-I474 HydrophobicContact CG-CD1 4.39Å; E442-I474 HydrophobicContact CG-CG1 3.99Å
443	E	88.5	Confident	90.4	Very high	11 Å²	11	23.9 Å²	23.9	5%	0.051	12%	0.122	C	C	.	.	H	α-helix	trans	-86.6	-41.3	-175.9	-78.4	168.9	-153.4	0	0	114.2	K240 Y322 I326 R409 E439 D440 L441 P445 P472	K240-E443 IonicContact NZ-OE2 2.84Å; K240-E443 PolarHBondContact NZ-OE2 3.03Å; Y322-E443 WeakPolarHBondContact CE1-O 3.45Å; Y322-E443 VanDerWaalsContact OH-C 3.23Å; Y322-E443 WeakPolarHBondContact OH-CA 3.34Å; Y322-E443 WeakPolarHBondContact OH-CB 3.48Å; Y322-E443 PolarHBondContact OH-O 2.95Å; I326-E443 WeakPolarHBondContact CG1-O 3.22Å; R409-E443 IonicContact CZ-OE1 3.36Å; R409-E443 IonicContact NH1-OE1 3.3Å; R409-E443 PolarHBondContact NH1-OE1 2.8Å; R409-E443 IonicContact NH2-OE1 2.71Å; R409-E443 PolarHBondContact NH2-OE1 2.67Å; E439-E443 WeakPolarHBondContact O-CB 3.26Å; E439-E443 WeakPolarHBondContact O-CG 3.36Å; E439-E443 PolarHBondContact O-N 3.15Å; D440-E443 PolarHBondContact O-N 2.78Å; L441-E443 PolarHBondContact O-N 2.88Å; E443-P445 WeakPolarHBondContact O-CD 3.27Å; E443-P472 HydrophobicContact CG-CB 3.9Å; E443-P472 HydrophobicContact CG-CG 3.88Å
444	D	88.4	Confident	90.5	Very high	14 Å²	14	24.3 Å²	24.3	8%	0.075	12%	0.122	C	C	.	.			trans	-107.2	102.1	-172.3	-171.5	-18.1	0	0	0	111.4	D440 T446 L447 R448	D440-D444 WeakPolarHBondContact O-CB 3.25Å; D440-D444 PolarHBondContact O-N 2.98Å; D444-T446 PolarHBondContact O-N 3.28Å; D444-T446 WeakPolarHBondContact OD1-CA 3.24Å; D444-T446 WeakPolarHBondContact OD1-CB 3.46Å; D444-T446 PolarHBondContact OD1-N 2.75Å; D444-L447 HydrophobicContact CB-CB 3.81Å; D444-L447 PolarHBondContact O-N 3.41Å; D444-L447 PolarHBondContact OD1-N 2.88Å; D444-L447 VanDerWaalsContact OD1-N 3.13Å; D444-R448 WeakPolarHBondContact O-CB 3.23Å; D444-R448 PolarHBondContact O-N 3.31Å; D444-R448 VanDerWaalsContact O-N 3.07Å
445	P	87.7	Confident	90.4	Very high	36 Å²	36	28 Å²	28	23%	0.234	14%	0.136	C	C	.	.	H	α-helix	trans	-63.5	-26	177.9	27	-34.5	0	0	0	112.2	I326 E443 R448 Q449	I326-P445 HydrophobicContact CG1-CG 3.87Å; I326-P445 HydrophobicContact CG2-CG 4.41Å; E443-P445 WeakPolarHBondContact O-CD 3.27Å; P445-R448 PolarHBondContact O-N 3.34Å; P445-Q449 WeakPolarHBondContact O-CG 3.31Å; P445-Q449 PolarHBondContact O-N 3.31Å
446	T	87.4	Confident	90.3	Very high	43 Å²	43	28 Å²	28	26%	0.264	14%	0.136	S	C	.	.	H	α-helix	trans	-77.6	-40.2	-179.7	-42.2	0	0	0	0	112	D444 R448 Q449	D444-T446 PolarHBondContact O-N 3.28Å; D444-T446 WeakPolarHBondContact OD1-CA 3.24Å; D444-T446 WeakPolarHBondContact OD1-CB 3.46Å; D444-T446 PolarHBondContact OD1-N 2.75Å; T446-R448 PolarHBondContact O-N 2.95Å; T446-Q449 PolarHBondContact O-N 3.25Å
447	L	87.6	Confident	89.9	Confident	26 Å²	26	32.5 Å²	32.5	14%	0.136	17%	0.166	C	C	.	.	H	α-helix	trans	-58.7	-43	170.9	-170.9	73	0	0	0	110	Y160 D440 L441 D444 Q449 D450	Y160-L447 HydrophobicContact CD1-CD1 4.03Å; Y160-L447 HydrophobicContact CD2-CD1 3.51Å; Y160-L447 HydrophobicContact CD2-CG 3.93Å; Y160-L447 HydrophobicContact CE1-CD1 3.82Å; Y160-L447 HydrophobicContact CE2-CD1 3.29Å; Y160-L447 HydrophobicContact CE2-CG 3.76Å; Y160-L447 HydrophobicContact CG-CD1 3.88Å; Y160-L447 VanDerWaalsContact CZ-CD1 3.45Å; D440-L447 HydrophobicContact CB-CD2 4.04Å; L441-L447 HydrophobicContact CD2-CD2 3.9Å; L441-L447 HydrophobicContact CD2-CG 3.96Å; D444-L447 HydrophobicContact CB-CB 3.81Å; D444-L447 PolarHBondContact O-N 3.41Å; D444-L447 PolarHBondContact OD1-N 2.88Å; D444-L447 VanDerWaalsContact OD1-N 3.13Å; L447-Q449 PolarHBondContact O-N 2.99Å; L447-D450 PolarHBondContact O-N 3.28Å
448	R	91.2	Very high	89.5	Confident	16 Å²	16	37 Å²	37	6%	0.06	20%	0.198	C	C	.	.	H	α-helix	trans	-65.5	-33.9	-177.6	-160.6	-164.4	-60.1	151.8	6.9	114.3	L441 E442 D444 P445 T446 D450 V451 I453 E478	L441-R448 HydrophobicContact CD2-CB 4.47Å; L441-R448 VanDerWaalsContact O-CZ 3.25Å; L441-R448 PolarHBondContact O-NE 2.71Å; L441-R448 PolarHBondContact O-NH2 3.29Å; E442-R448 PolarHBondContact O-NH2 2.79Å; D444-R448 WeakPolarHBondContact O-CB 3.23Å; D444-R448 PolarHBondContact O-N 3.31Å; D444-R448 VanDerWaalsContact O-N 3.07Å; P445-R448 PolarHBondContact O-N 3.34Å; T446-R448 PolarHBondContact O-N 2.95Å; R448-D450 PolarHBondContact O-N 2.8Å; R448-V451 PolarHBondContact O-N 2.71Å; R448-I453 HydrophobicContact CG-CD1 3.35Å; R448-E478 WeakPolarHBondContact CD-OE2 3.24Å; R448-E478 IonicContact CZ-OE2 3.79Å; R448-E478 IonicContact NE-OE2 2.89Å; R448-E478 IonicContact NH1-OE1 2.77Å; R448-E478 IonicContact NH1-OE2 3.38Å; R448-E478 PolarHBondContact NH1-OE2 3.13Å
449	Q	89.7	Confident	88.9	Confident	133 Å²	133	39 Å²	39	62%	0.621	21%	0.21	S	C	*	.	H	α-helix	trans	-52.8	-32	177.5	-81.4	170.3	19.7	0	0	112.8	K167 P445 T446 L447 V451	K167-Q449 PolarHBondContact NZ-O 2.88Å; P445-Q449 WeakPolarHBondContact O-CG 3.31Å; P445-Q449 PolarHBondContact O-N 3.31Å; T446-Q449 PolarHBondContact O-N 3.25Å; L447-Q449 PolarHBondContact O-N 2.99Å; Q449-V451 VanDerWaalsContact C-N 3.35Å
450	D	88.7	Confident	88.1	Confident	30 Å²	30	47.2 Å²	47.2	16%	0.16	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	8.6	-178.7	-79.9	-40.5	0	0	0	114.1	Y160 L164 K167 K204 L447 R448	Y160-D450 HydrophobicContact CE2-CB 4.38Å; Y160-D450 PolarHBondContact OH-OD2 3.24Å; L164-D450 HydrophobicContact CD2-CB 3.68Å; K167-D450 VanDerWaalsContact CD-C 3.46Å; K167-D450 WeakPolarHBondContact CD-O 3.24Å; K204-D450 IonicContact NZ-OD1 3.9Å; K204-D450 PolarHBondContact NZ-OD1 3.05Å; K204-D450 IonicContact NZ-OD2 3.27Å; K204-D450 PolarHBondContact NZ-OD2 3.35Å; L447-D450 PolarHBondContact O-N 3.28Å; R448-D450 PolarHBondContact O-N 2.8Å
451	V	92.3	Very high	87.1	Confident	9 Å²	9	53.4 Å²	53.4	6%	0.055	28%	0.278	C	S	.	.	S	Bend	trans	-124.5	136.6	-177.3	-179.5	0	0	0	0	110.9	Y160 Q163 L417 L441 R448 Q449 I453	Y160-V451 HydrophobicContact CD2-CG2 4.09Å; Y160-V451 HydrophobicContact CE2-CG2 3.96Å; Q163-V451 HydrophobicContact CB-CB 4.33Å; Q163-V451 HydrophobicContact CB-CG1 3.92Å; Q163-V451 HydrophobicContact CB-CG2 3.76Å; Q163-V451 HydrophobicContact CG-CG1 3.78Å; Q163-V451 HydrophobicContact CG-CG2 4.24Å; L417-V451 HydrophobicContact CD2-CG1 3.65Å; L441-V451 HydrophobicContact CD1-CG1 4.22Å; L441-V451 HydrophobicContact CD2-CB 4.27Å; L441-V451 HydrophobicContact CD2-CG2 3.82Å; R448-V451 PolarHBondContact O-N 2.71Å; Q449-V451 VanDerWaalsContact C-N 3.35Å; V451-I453 HydrophobicContact CG1-CG1 4.36Å
452	N	92.1	Very high	86	Confident	48 Å²	48	55.4 Å²	55.4	26%	0.257	29%	0.29	S	S	.	.			trans	-89.6	120.9	171.9	-67.6	-16.3	0	0	0	109.4	Y454 L480	N452-Y454 HydrophobicContact CB-CE2 3.88Å; N452-Y454 WeakPolarHBondContact O-CE2 3.23Å; N452-L480 HydrophobicContact CB-CD1 4.14Å
453	I	92	Very high	85	Confident	3 Å²	3	63 Å²	63	2%	0.015	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	133.8	-177.7	-65.9	154	0	0	0	109.1	W415 L417 R448 V451 I474 I479 L480	W415-I453 HydrophobicContact CB-CG2 3.64Å; W415-I453 HydrophobicContact CD2-CG2 3.81Å; W415-I453 HydrophobicContact CE3-CG2 3.69Å; W415-I453 HydrophobicContact CG-CG2 3.8Å; L417-I453 HydrophobicContact CD2-CG1 4.03Å; R448-I453 HydrophobicContact CG-CD1 3.35Å; V451-I453 HydrophobicContact CG1-CG1 4.36Å; I453-I474 HydrophobicContact CD1-CD1 3.57Å; I453-I474 HydrophobicContact CD1-CG2 4.06Å; I453-I474 HydrophobicContact CG1-CD1 4.37Å; I453-I479 HydrophobicContact CG2-CG1 4.22Å; I453-L480 VanDerWaalsContact O-CB 3.31Å; I453-L480 WeakPolarHBondContact O-CB 3.42Å; I453-L480 PolarHBondContact O-N 2.82Å
454	Y	91.4	Very high	83.9	Confident	32 Å²	32	68.5 Å²	68.5	13%	0.125	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	143.2	-175.8	-60.2	-84.8	0	0	0	110.8	W415 K416 K418 N452 D456 L480 D482	W415-Y454 CarbonylContact C-O 3.57Å; W415-Y454 WeakPolarHBondContact CA-O 3.36Å; W415-Y454 VanDerWaalsContact CB-O 3.3Å; W415-Y454 WeakPolarHBondContact CB-O 3.49Å; K416-Y454 PolarHBondContact N-O 2.88Å; K416-Y454 PolarHBondContact O-N 2.98Å; K418-Y454 HydrophobicContact CB-CE2 4.18Å; K418-Y454 HydrophobicContact CD-CD2 4.06Å; K418-Y454 HydrophobicContact CD-CE1 4.19Å; K418-Y454 HydrophobicContact CD-CE2 3.52Å; K418-Y454 VanDerWaalsContact CE-CZ 3.5Å; K418-Y454 HydrophobicContact CG-CD2 3.77Å; K418-Y454 HydrophobicContact CG-CE2 3.58Å; N452-Y454 HydrophobicContact CB-CE2 3.88Å; N452-Y454 WeakPolarHBondContact O-CE2 3.23Å; Y454-D456 PolarHBondContact O-N 3.07Å; Y454-L480 CarbonylContact C-O 3.22Å; Y454-L480 WeakPolarHBondContact CA-O 3.41Å; Y454-L480 HydrophobicContact CD1-CB 4.14Å; Y454-L480 HydrophobicContact CE1-CB 4.34Å; Y454-L480 HydrophobicContact CE1-CD1 4.15Å; Y454-D482 WeakPolarHBondContact CD1-OD1 3.5Å
455	R	89.4	Confident	83	Confident	117 Å²	117	71.5 Å²	71.5	44%	0.442	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	133.8	172	-171.8	171.6	-177.8	168.1	0.5	109.6	P457 I479 L480	R455-P457 VanDerWaalsContact O-CD 3.26Å; R455-P457 WeakPolarHBondContact O-CD 3.43Å; R455-I479 HydrophobicContact CB-CG2 3.75Å; R455-I479 VanDerWaalsContact N-CG2 3.33Å; R455-L480 PolarHBondContact N-O 3.48Å
456	D	87.3	Confident	81.9	Confident	25 Å²	25	75 Å²	75	13%	0.134	40%	0.401	C	S	.	.			trans	-89.1	111.4	173.9	-167.6	26.2	0	0	0	110.7	I414 K416 Y454 S458 V459	I414-D456 PolarHBondContact O-N 2.87Å; K416-D456 HydrophobicContact CB-CB 4.25Å; K416-D456 HydrophobicContact CD-CB 4.24Å; K416-D456 VanDerWaalsContact CD-OD1 3.3Å; K416-D456 WeakPolarHBondContact CD-OD1 3.43Å; K416-D456 VanDerWaalsContact CE-OD1 3.3Å; K416-D456 WeakPolarHBondContact CE-OD1 3.43Å; K416-D456 HydrophobicContact CG-CB 4.08Å; K416-D456 IonicContact NZ-OD1 3.11Å; K416-D456 PolarHBondContact NZ-OD1 3.22Å; Y454-D456 PolarHBondContact O-N 3.07Å; D456-S458 PolarHBondContact O-N 3.37Å; D456-S458 PolarHBondContact OD1-OG 3.22Å; D456-S458 PolarHBondContact OD2-OG 2.89Å; D456-V459 HydrophobicContact CB-CG2 4.42Å; D456-V459 PolarHBondContact O-N 2.82Å; D456-V459 WeakPolarHBondContact OD2-CG2 3.42Å
457	P	83.1	Confident	80.8	Confident	108 Å²	108	78.4 Å²	78.4	70%	0.701	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-18.4	-178.7	27.2	-36.6	0	0	0	113.7	R455 V459	R455-P457 VanDerWaalsContact O-CD 3.26Å; R455-P457 WeakPolarHBondContact O-CD 3.43Å; P457-V459 VanDerWaalsContact C-N 3.3Å; P457-V459 PolarHBondContact O-N 2.82Å
458	S	83	Confident	79.5	Confident	97 Å²	97	78.1 Å²	78.1	68%	0.678	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-18.5	177.2	18	0	0	0	0	114.3	D456	D456-S458 PolarHBondContact O-N 3.37Å; D456-S458 PolarHBondContact OD1-OG 3.22Å; D456-S458 PolarHBondContact OD2-OG 2.89Å
459	V	80.9	Confident	78.1	Confident	51 Å²	51	82.2 Å²	82.2	31%	0.309	45%	0.45	S	S	.	.			trans	-106.8	118.9	-172.7	-176.8	0	0	0	0	109.8	I414 D456 P457	I414-V459 HydrophobicContact CG2-CG1 4.06Å; D456-V459 HydrophobicContact CB-CG2 4.42Å; D456-V459 PolarHBondContact O-N 2.82Å; D456-V459 WeakPolarHBondContact OD2-CG2 3.42Å; P457-V459 VanDerWaalsContact C-N 3.3Å; P457-V459 PolarHBondContact O-N 2.82Å
460	Q	75.1	Confident	77.3	Confident	177 Å²	177	81 Å²	81	83%	0.827	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-72.6	153.8	169.6	-66.5	-175.1	2.7	0	0	110.3	P462	Q460-P462 WeakPolarHBondContact O-CD 3.37Å
461	Q	70.5	Confident	76.8	Confident	137 Å²	137	80.9 Å²	80.9	64%	0.64	44%	0.443	S	S	*	.	P	Polyproline II helix	trans	-55.7	123.7	177.5	-87.8	176.6	-18.9	0	0	110.2
462	P	69.5	Low	76.4	Confident	42 Å²	42	80.8 Å²	80.8	27%	0.273	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-67.8	151.6	-177	28	-36.3	0	0	0	111.2	I414 Q460	I414-P462 VanDerWaalsContact CG2-CD 3.44Å; I414-P462 HydrophobicContact CG2-CG 4.22Å; Q460-P462 WeakPolarHBondContact O-CD 3.37Å
463	Q	68.6	Low	76.1	Confident	168 Å²	168	83 Å²	83	79%	0.785	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-69	142.2	171.7	-67.6	-163.8	-6.9	0	0	110.3	Q412 L465	Q412-Q463 PolarHBondContact NE2-O 3.14Å; Q463-L465 PolarHBondContact O-N 3.21Å
464	P	66.3	Low	75.8	Confident	127 Å²	127	83.4 Å²	83.4	83%	0.825	46%	0.463	S	S	*	.	P	Polyproline II helix	trans	-65.3	118.5	176.9	24.5	-30.8	0	0	0	110.2
465	L	70	Confident	75.5	Confident	77 Å²	77	84.1 Å²	84.1	40%	0.403	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-97.2	142.9	171.2	-68.6	165.3	0	0	0	109.1	I408 Q463 D467 A468	I408-L465 HydrophobicContact CG2-CD1 4.07Å; Q463-L465 PolarHBondContact O-N 3.21Å; L465-D467 VanDerWaalsContact C-N 3.33Å; L465-D467 PolarHBondContact O-N 3.37Å; L465-A468 HydrophobicContact CB-CB 3.93Å; L465-A468 WeakPolarHBondContact O-CB 3.45Å; L465-A468 PolarHBondContact O-N 3.48Å; L465-A468 VanDerWaalsContact O-N 3.12Å
466	P	64.5	Low	75.2	Confident	108 Å²	108	84 Å²	84	70%	0.701	48%	0.479	S	S	*	.	G	3₁₀ helix	trans	-54.6	-47.7	-179.1	-23	31.9	0	0	0	112.6	A468 S469	P466-A468 VanDerWaalsContact C-N 3.26Å; P466-A468 PolarHBondContact O-N 3.33Å; P466-S469 PolarHBondContact O-OG 3.39Å
467	D	64.7	Low	75.1	Confident	115 Å²	115	90.2 Å²	90.2	62%	0.615	51%	0.507	S	S	*	.	G	3₁₀ helix	trans	-74.9	-13.3	-177.3	-55.6	-23.2	0	0	0	113.3	L465 S469	L465-D467 VanDerWaalsContact C-N 3.33Å; L465-D467 PolarHBondContact O-N 3.37Å; D467-S469 VanDerWaalsContact C-N 3.3Å; D467-S469 PolarHBondContact O-N 3.12Å
468	A	59.6	Low	75.2	Confident	20 Å²	20	88.5 Å²	88.5	17%	0.165	49%	0.49	C	S	.	.	G	3₁₀ helix	trans	-76.2	-19.7	-179.2	0	0	0	0	0	112.9	I408 Q412 L465 P466 E470 M471	I408-A468 HydrophobicContact CG2-CB 4.25Å; Q412-A468 HydrophobicContact CG-CB 4.24Å; L465-A468 HydrophobicContact CB-CB 3.93Å; L465-A468 WeakPolarHBondContact O-CB 3.45Å; L465-A468 PolarHBondContact O-N 3.48Å; L465-A468 VanDerWaalsContact O-N 3.12Å; P466-A468 VanDerWaalsContact C-N 3.26Å; P466-A468 PolarHBondContact O-N 3.33Å; A468-E470 VanDerWaalsContact C-N 3.27Å; A468-E470 PolarHBondContact O-N 3.33Å; A468-M471 PolarHBondContact O-N 2.76Å
469	S	62	Low	75.4	Confident	103 Å²	103	85 Å²	85	72%	0.72	46%	0.463	S	S	*	.	G	3₁₀ helix	trans	-66.7	-25.2	-176.7	62.2	0	0	0	0	114.1	P466 D467	P466-S469 PolarHBondContact O-OG 3.39Å; D467-S469 VanDerWaalsContact C-N 3.3Å; D467-S469 PolarHBondContact O-N 3.12Å
470	E	71.5	Confident	75.6	Confident	106 Å²	106	86.2 Å²	86.2	50%	0.495	47%	0.468	S	S	.	.	G	3₁₀ helix	trans	-95.8	-3.5	179.7	-61	-172	173.7	0	0	113.4	A468	A468-E470 VanDerWaalsContact C-N 3.27Å; A468-E470 PolarHBondContact O-N 3.33Å
471	M	79.6	Confident	75.8	Confident	28 Å²	28	82.1 Å²	82.1	14%	0.138	46%	0.455	C	S	.	.	S	Bend	trans	-81.6	144.3	-175.7	-64.4	-169	179.1	0	0	112	Y404 D405 I408 R409 A468 C473	Y404-M471 HydrophobicContact CD1-CG 4.07Å; D405-M471 HydrophobicContact CB-CE 4.36Å; I408-M471 HydrophobicContact CB-CE 3.91Å; I408-M471 HydrophobicContact CB-SD 4.06Å; I408-M471 HydrophobicContact CD1-CE 3.94Å; I408-M471 HydrophobicContact CG2-CE 3.74Å; I408-M471 HydrophobicContact CG2-SD 3.61Å; R409-M471 HydrophobicContact CG-SD 3.99Å; A468-M471 PolarHBondContact O-N 2.76Å; M471-C473 PolarHBondContact O-N 3.24Å
472	P	84	Confident	75.6	Confident	8 Å²	8	79.6 Å²	79.6	5%	0.052	45%	0.445	C	S	.	.			trans	-56.4	124.4	169.5	-19.5	28.9	0	0	0	110.6	Y322 Y404 E442 E443	Y322-P472 HydrophobicContact CD1-CB 3.74Å; Y322-P472 HydrophobicContact CD1-CG 3.63Å; Y322-P472 HydrophobicContact CD2-CG 3.96Å; Y322-P472 HydrophobicContact CE1-CB 3.65Å; Y322-P472 HydrophobicContact CE1-CG 3.72Å; Y322-P472 HydrophobicContact CE2-CG 4.02Å; Y322-P472 HydrophobicContact CG-CB 4.39Å; Y322-P472 HydrophobicContact CG-CG 3.77Å; Y404-P472 HydrophobicContact CD2-CG 4.07Å; Y404-P472 HydrophobicContact CE2-CG 3.59Å; E442-P472 HydrophobicContact CB-CB 4.42Å; E443-P472 HydrophobicContact CG-CB 3.9Å; E443-P472 HydrophobicContact CG-CG 3.88Å
473	C	85.1	Confident	74.5	Confident	94 Å²	94	85.7 Å²	85.7	64%	0.635	47%	0.472	S	S	*	.			trans	-137.9	158.3	175.6	71.2	0	0	0	0	111.1	M471	M471-C473 PolarHBondContact O-N 3.24Å
474	I	85.5	Confident	73.3	Confident	12 Å²	12	80.8 Å²	80.8	6%	0.062	46%	0.457	C	S	.	.			trans	-84.2	125.4	175.8	-58.1	-167.9	0	0	0	108.3	W415 E442 I453 E478 I479	W415-I474 HydrophobicContact CD2-CD1 3.92Å; W415-I474 HydrophobicContact CE3-CD1 4.36Å; W415-I474 HydrophobicContact CH2-CD1 3.91Å; W415-I474 HydrophobicContact CZ2-CD1 3.46Å; W415-I474 VanDerWaalsContact CZ2-CD1 3.46Å; W415-I474 HydrophobicContact CZ2-CG1 4.24Å; W415-I474 HydrophobicContact CZ3-CD1 4.33Å; E442-I474 HydrophobicContact CG-CD1 4.39Å; E442-I474 HydrophobicContact CG-CG1 3.99Å; I453-I474 HydrophobicContact CD1-CD1 3.57Å; I453-I474 HydrophobicContact CD1-CG2 4.06Å; I453-I474 HydrophobicContact CG1-CD1 4.37Å; I474-E478 HydrophobicContact CG2-CB 4.1Å; I474-I479 HydrophobicContact CG2-CG1 4.14Å
475	P	85.3	Confident	72.1	Confident	46 Å²	46	82.4 Å²	82.4	30%	0.299	46%	0.457	S	S	.	.			trans	-67.4	136.8	179.8	30.5	-36.6	0	0	0	110.6	H477 E478	P475-H477 VanDerWaalsContact CB-CE1 3.5Å; P475-H477 WeakPolarHBondContact CB-CE1 3.44Å; P475-H477 WeakPolarHBondContact CB-ND1 3.35Å; P475-H477 WeakPolarHBondContact CG-CE1 3.47Å; P475-H477 WeakPolarHBondContact CG-ND1 3.5Å; P475-H477 PolarHBondContact O-N 3.18Å; P475-H477 PolarHBondContact O-ND1 2.92Å; P475-E478 WeakPolarHBondContact CD-OE2 3.43Å; P475-E478 HydrophobicContact CG-CB 4.46Å; P475-E478 VanDerWaalsContact CG-CD 3.41Å; P475-E478 HydrophobicContact CG-CG 4.05Å; P475-E478 WeakPolarHBondContact CG-OE1 3.31Å; P475-E478 PolarHBondContact O-N 3.46Å
476	L	83.5	Confident	70.6	Confident	116 Å²	116	87.1 Å²	87.1	61%	0.607	48%	0.477	S	S	*	.	G	3₁₀ helix	trans	-51.6	-33.2	-171.4	-68.1	172.8	0	0	0	114.5	I414 E478 I479	I414-L476 HydrophobicContact CD1-CD2 3.62Å; L476-E478 PolarHBondContact O-N 3.45Å; L476-I479 HydrophobicContact CD2-CD1 4.2Å; L476-I479 WeakPolarHBondContact O-CB 3.4Å; L476-I479 PolarHBondContact O-N 2.81Å; L476-I479 VanDerWaalsContact O-N 3.16Å
477	H	83.8	Confident	69.4	Low	154 Å²	154	88.2 Å²	88.2	71%	0.713	48%	0.477	S	S	*	.	G	3₁₀ helix	trans	-68	-16.6	-179.7	70.5	-23	0	0	0	115.1	P475	P475-H477 VanDerWaalsContact CB-CE1 3.5Å; P475-H477 WeakPolarHBondContact CB-CE1 3.44Å; P475-H477 WeakPolarHBondContact CB-ND1 3.35Å; P475-H477 WeakPolarHBondContact CG-CE1 3.47Å; P475-H477 WeakPolarHBondContact CG-ND1 3.5Å; P475-H477 PolarHBondContact O-N 3.18Å; P475-H477 PolarHBondContact O-ND1 2.92Å
478	E	85.9	Confident	68	Low	73 Å²	73	90.8 Å²	90.8	34%	0.341	49%	0.485	S	S	.	.	G	3₁₀ helix	trans	-88.2	-12.4	175.9	-75.2	168.8	-162.4	0	0	111.8	R448 I474 P475 L476 L480	R448-E478 WeakPolarHBondContact CD-OE2 3.24Å; R448-E478 IonicContact CZ-OE2 3.79Å; R448-E478 IonicContact NE-OE2 2.89Å; R448-E478 IonicContact NH1-OE1 2.77Å; R448-E478 IonicContact NH1-OE2 3.38Å; R448-E478 PolarHBondContact NH1-OE2 3.13Å; I474-E478 HydrophobicContact CG2-CB 4.1Å; P475-E478 WeakPolarHBondContact CD-OE2 3.43Å; P475-E478 HydrophobicContact CG-CB 4.46Å; P475-E478 VanDerWaalsContact CG-CD 3.41Å; P475-E478 HydrophobicContact CG-CG 4.05Å; P475-E478 WeakPolarHBondContact CG-OE1 3.31Å; P475-E478 PolarHBondContact O-N 3.46Å; L476-E478 PolarHBondContact O-N 3.45Å; E478-L480 PolarHBondContact O-N 3.17Å
479	I	87.7	Confident	66.9	Low	22 Å²	22	98.7 Å²	98.7	11%	0.113	52%	0.518	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	111.4	-178.6	-54.3	177.5	0	0	0	108.5	I414 W415 I453 R455 I474 L476	I414-I479 HydrophobicContact CD1-CD1 4.07Å; I414-I479 HydrophobicContact CG1-CD1 4.1Å; W415-I479 HydrophobicContact CB-CD1 4.26Å; W415-I479 HydrophobicContact CB-CG2 4.3Å; I453-I479 HydrophobicContact CG2-CG1 4.22Å; R455-I479 HydrophobicContact CB-CG2 3.75Å; R455-I479 VanDerWaalsContact N-CG2 3.33Å; I474-I479 HydrophobicContact CG2-CG1 4.14Å; L476-I479 HydrophobicContact CD2-CD1 4.2Å; L476-I479 WeakPolarHBondContact O-CB 3.4Å; L476-I479 PolarHBondContact O-N 2.81Å; L476-I479 VanDerWaalsContact O-N 3.16Å
480	L	85.7	Confident	65.7	Low	78 Å²	78	101.4 Å²	101.4	41%	0.408	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	132.1	175	-57.1	174.2	0	0	0	109.8	N452 I453 Y454 R455 E478	N452-L480 HydrophobicContact CB-CD1 4.14Å; I453-L480 VanDerWaalsContact O-CB 3.31Å; I453-L480 WeakPolarHBondContact O-CB 3.42Å; I453-L480 PolarHBondContact O-N 2.82Å; Y454-L480 CarbonylContact C-O 3.22Å; Y454-L480 WeakPolarHBondContact CA-O 3.41Å; Y454-L480 HydrophobicContact CD1-CB 4.14Å; Y454-L480 HydrophobicContact CE1-CB 4.34Å; Y454-L480 HydrophobicContact CE1-CD1 4.15Å; R455-L480 PolarHBondContact N-O 3.48Å; E478-L480 PolarHBondContact O-N 3.17Å
481	T	78.3	Confident	64.3	Low	91 Å²	91	101.5 Å²	101.5	56%	0.558	53%	0.532	S	S	*	.			trans	-75	133.4	160.3	37	0	0	0	0	108.4	M483	T481-M483 VanDerWaalsContact C-N 3.34Å; T481-M483 PolarHBondContact O-N 3.23Å
482	D	65.7	Low	62.6	Low	83 Å²	83	109.5 Å²	109.5	44%	0.444	57%	0.569	S	S	.	*			trans	-60.9	100.5	169.7	-92.4	-36.4	0	0	0	107.5	K418 Y454 S484	K418-D482 WeakPolarHBondContact CE-OD1 3.22Å; K418-D482 IonicContact NZ-OD1 2.72Å; K418-D482 PolarHBondContact NZ-OD1 3.13Å; Y454-D482 WeakPolarHBondContact CD1-OD1 3.5Å; D482-S484 PolarHBondContact O-N 3.05Å
483	M	46.2	Very low	61.1	Low	170 Å²	170	119 Å²	119	84%	0.837	63%	0.626	S	S	*	*			trans	-72.2	96.2	168.6	-66.1	-171.5	-60.5	0	0	107.2	T481 I485	T481-M483 VanDerWaalsContact C-N 3.34Å; T481-M483 PolarHBondContact O-N 3.23Å; M483-I485 PolarHBondContact O-N 3.25Å
484	S	43.7	Very low	59.9	Low	65 Å²	65	120.3 Å²	120.3	46%	0.455	63%	0.626	S	S	.	*			trans	-68.2	120.7	162.1	34.2	0	0	0	0	108.3	D482 Q486 D487	D482-S484 PolarHBondContact O-N 3.05Å; S484-Q486 PolarHBondContact O-N 2.83Å; S484-D487 PolarHBondContact O-N 3.32Å; S484-D487 PolarHBondContact OG-OD2 3.35Å
485	I	41.7	Very low	58.6	Low	162 Å²	162	126 Å²	126	83%	0.831	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.9	16.3	173.3	-56.1	164.4	0	0	0	111.5	M483	M483-I485 PolarHBondContact O-N 3.25Å
486	Q	39.6	Very low	57.1	Low	176 Å²	176	130.4 Å²	130.4	82%	0.822	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.9	-7.1	175.9	-67.2	-173.6	-3.4	0	0	113.1	S484	S484-Q486 PolarHBondContact O-N 2.83Å
487	D	39	Very low	55.6	Low	131 Å²	131	131.3 Å²	131.3	70%	0.701	68%	0.679	S	S	*	*			trans	-99.2	9.8	-176.6	-60.1	-40.6	0	0	0	114.7	S484 E489	S484-D487 PolarHBondContact O-N 3.32Å; S484-D487 PolarHBondContact OG-OD2 3.35Å; D487-E489 VanDerWaalsContact C-N 3.3Å; D487-E489 PolarHBondContact O-N 3.17Å
488	E	34.9	Very low	53.8	Low	168 Å²	168	129.9 Å²	129.9	79%	0.785	68%	0.677	S	S	*	*			trans	-85.9	78	162.2	-74.5	-171.8	174.2	0	0	109.1	M490	E488-M490 VanDerWaalsContact C-N 3.28Å; E488-M490 PolarHBondContact O-N 2.98Å
489	E	36.6	Very low	51.6	Low	186 Å²	186	133.7 Å²	133.7	87%	0.869	70%	0.7	S	S	*	*			trans	-60.4	97.5	158.2	-76.7	-169.9	162.3	0	0	107.8	D487 P491	D487-E489 VanDerWaalsContact C-N 3.3Å; D487-E489 PolarHBondContact O-N 3.17Å; E489-P491 WeakPolarHBondContact O-CD 3.35Å
490	M	37	Very low	49.1	Very low	160 Å²	160	141.6 Å²	141.6	79%	0.788	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-51.3	120.6	167.5	-82.4	-97.6	-50.6	0	0	108.7	E488 Q492	E488-M490 VanDerWaalsContact C-N 3.28Å; E488-M490 PolarHBondContact O-N 2.98Å; M490-Q492 PolarHBondContact O-N 3.03Å
491	P	42.6	Very low	46.3	Very low	109 Å²	109	146.5 Å²	146.5	71%	0.708	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-60.1	126.8	174.7	22.8	-30.2	0	0	0	108.6	E489 V493	E489-P491 WeakPolarHBondContact O-CD 3.35Å; P491-V493 PolarHBondContact O-N 3.35Å
492	Q	42.7	Very low	43.6	Very low	195 Å²	195	151.2 Å²	151.2	91%	0.911	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-59.8	121.5	173.9	-65.5	-178.8	4.7	0	0	108.1	M490	M490-Q492 PolarHBondContact O-N 3.03Å
493	V	53.5	Low	41.6	Very low	209 Å²	209	157.4 Å²	157.4	100%	1.267	82%	0.816	S	S	*	*			trans	-70.1	0	172.9	178.7	0	0	0	0	110.1	P491	P491-V493 PolarHBondContact O-N 3.35Å

Retrieved 493 of 493 residues in 568.5 ms (Link to these results)

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