A0A077Z887_TRITR Loading...

DUF3651 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z887, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 787 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	23.3	Very low	40.3	Very low	237 Å²	237	79.4 Å²	79.4	100%	1.167	43%	0.429	S	S	*	.				0	151.1	0	-77.6	175.5	165.4	0	0	108.5
2	L	25.6	Very low	41	Very low	148 Å²	148	84.3 Å²	84.3	78%	0.775	44%	0.443	S	S	*	.			trans	56.2	86.5	164.3	-62.3	169.7	0	0	0	117.8
3	T	26.6	Very low	41.3	Very low	127 Å²	127	86.4 Å²	86.4	78%	0.779	45%	0.447	S	S	*	.				13.9	114.8	129.8	50.6	0	0	0	0	119
4	N	33.7	Very low	41.2	Very low	97 Å²	97	83.3 Å²	83.3	52%	0.519	45%	0.447	S	S	.	.			trans	-122.4	104.3	170.1	-72.4	-15.8	0	0	0	111.9	S57	N4-S57 VanDerWaalsContact C-OG 3.24Å; N4-S57 VanDerWaalsContact CA-OG 3.25Å; N4-S57 WeakPolarHBondContact CA-OG 3.39Å; N4-S57 WeakPolarHBondContact OD1-CB 3.44Å
5	C	36.7	Very low	41.1	Very low	47 Å²	47	85.7 Å²	85.7	32%	0.318	47%	0.469	S	S	.	.	S	Bend	trans	-148.4	178.7	166.4	-93.1	0	0	0	0	110.1	L19 S57	C5-L19 HydrophobicContact CB-CD1 3.79Å; C5-L19 HydrophobicContact CB-CD2 3.96Å; C5-L19 HydrophobicContact CB-CG 3.91Å; C5-S57 PolarHBondContact N-OG 3.34Å; C5-S57 PolarHBondContact O-OG 2.94Å
6	F	45.8	Very low	40.8	Very low	8 Å²	8	85.6 Å²	85.6	4%	0.035	47%	0.466	C	S	.	.			trans	-83.6	137.4	167.7	-70.3	-80.3	0	0	0	111.1	S55 F61 C63 V81 V100	F6-S55 WeakPolarHBondContact CA-O 3.45Å; F6-F61 HydrophobicContact CE1-CB 4.21Å; F6-F61 HydrophobicContact CE2-CD1 4.33Å; F6-F61 HydrophobicContact CZ-CB 3.66Å; F6-F61 AromaticContact CZ-CD1 3.88Å; F6-F61 HydrophobicContact CZ-CD1 3.88Å; F6-F61 AromaticContact CZ-CG 3.85Å; F6-F61 HydrophobicContact CZ-CG 3.85Å; F6-C63 VanDerWaalsContact CE1-SG 3.54Å; F6-V81 HydrophobicContact CZ-CG1 3.92Å; F6-V100 HydrophobicContact CD2-CG2 4.24Å; F6-V100 HydrophobicContact CE2-CG1 4.31Å; F6-V100 HydrophobicContact CE2-CG2 4.37Å
7	A	45.6	Very low	40.8	Very low	16 Å²	16	85.1 Å²	85.1	13%	0.132	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	133.3	176.2	0	0	0	0	0	110.2	T17 S55	A7-T17 HydrophobicContact CB-CG2 3.42Å; A7-T17 VanDerWaalsContact CB-CG2 3.42Å; A7-S55 PolarHBondContact N-O 2.91Å; A7-S55 PolarHBondContact O-N 3.35Å
8	V	52.1	Low	40.9	Very low	2 Å²	2	83.5 Å²	83.5	1%	0.012	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	125.6	166	170.9	0	0	0	0	109.2	L10 V18 L20 L51 A53 I54 F66	V8-L10 HydrophobicContact CG1-CD2 4.11Å; V8-V18 PolarHBondContact N-O 3.16Å; V8-V18 VanDerWaalsContact N-O 3.11Å; V8-V18 PolarHBondContact O-N 2.99Å; V8-L20 HydrophobicContact CB-CD1 4.08Å; V8-L20 HydrophobicContact CG2-CD1 3.61Å; V8-L51 HydrophobicContact CG1-CD2 4.24Å; V8-A53 WeakPolarHBondContact CA-O 3.1Å; V8-I54 HydrophobicContact CG2-CG1 4.21Å; V8-F66 HydrophobicContact CG1-CZ 3.79Å; V8-F66 HydrophobicContact CG2-CE1 4.36Å; V8-F66 HydrophobicContact CG2-CZ 3.96Å
9	T	53.9	Low	40.9	Very low	49 Å²	49	83.8 Å²	83.8	30%	0.301	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	125.7	-176.9	-47.1	0	0	0	0	110.5	D52 A53	T9-D52 PolarHBondContact O-N 3.45Å; T9-A53 PolarHBondContact N-O 3.07Å
10	L	52.3	Low	41.1	Very low	27 Å²	27	81.4 Å²	81.4	14%	0.141	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	125.1	179.1	-57.9	-169.2	0	0	0	111.8	V8 K12 G14 V18 V49 R50 L51	V8-L10 HydrophobicContact CG1-CD2 4.11Å; L10-K12 VanDerWaalsContact C-N 3.27Å; L10-K12 PolarHBondContact O-N 3.21Å; L10-K12 VanDerWaalsContact O-N 3.16Å; L10-G14 VanDerWaalsContact O-O 3.1Å; L10-V18 HydrophobicContact CD1-CG2 3.52Å; L10-V18 HydrophobicContact CG-CG2 3.93Å; L10-V49 HydrophobicContact CD1-CG1 3.86Å; L10-V49 HydrophobicContact CD2-CG1 3.68Å; L10-V49 HydrophobicContact CG-CG1 4.3Å; L10-R50 WeakPolarHBondContact CA-O 3.22Å; L10-L51 HydrophobicContact CD2-CD2 3.42Å; L10-L51 VanDerWaalsContact CD2-CD2 3.42Å
11	Q	47.5	Very low	41	Very low	115 Å²	115	81.1 Å²	81.1	54%	0.537	45%	0.447	S	S	.	.	G	3₁₀ helix	trans	-67.1	-21.9	-170.2	-149.7	-178.7	6.5	0	0	115	R50 D52	Q11-R50 HydrophobicContact CB-CB 4.49Å; Q11-R50 PolarHBondContact N-O 3.06Å; Q11-R50 VanDerWaalsContact OE1-CD 3.24Å; Q11-R50 VanDerWaalsContact OE1-NE 3.16Å; Q11-D52 VanDerWaalsContact CB-OD2 3.25Å; Q11-D52 WeakPolarHBondContact CB-OD2 3.12Å; Q11-D52 WeakPolarHBondContact CG-OD2 3.3Å
12	K	49.6	Very low	41.9	Very low	139 Å²	139	70.3 Å²	70.3	60%	0.604	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-96.3	1	-161.2	-141.9	178.6	-175	179.6	0	116.1	L10	L10-K12 VanDerWaalsContact C-N 3.27Å; L10-K12 PolarHBondContact O-N 3.21Å; L10-K12 VanDerWaalsContact O-N 3.16Å
13	F	44.2	Very low	42.6	Very low	111 Å²	111	71.8 Å²	71.8	49%	0.487	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-128.5	18.7	-177.5	-78.1	-96.1	0	0	0	113.4	I16 Y47	F13-I16 HydrophobicContact CB-CB 4.22Å; F13-I16 HydrophobicContact CB-CD1 3.52Å; F13-I16 HydrophobicContact CB-CG1 3.74Å; F13-I16 HydrophobicContact CD1-CD1 4.11Å; F13-I16 HydrophobicContact CG-CD1 4.06Å; F13-Y47 AromaticContact CE2-CE2 3.55Å; F13-Y47 HydrophobicContact CE2-CE2 3.55Å; F13-Y47 AromaticContact CE2-CZ 3.51Å; F13-Y47 WeakPolarHBondContact CE2-OH 3.39Å; F13-Y47 HydrophobicContact CZ-CE1 4.2Å; F13-Y47 HydrophobicContact CZ-CE2 4.07Å; F13-Y47 AromaticContact CZ-CZ 3.54Å; F13-Y47 WeakPolarHBondContact CZ-OH 3.46Å
14	G	40.3	Very low	43.6	Very low	43 Å²	43	67.3 Å²	67.3	44%	0.443	36%	0.361	S	S	.	.	S	Bend	trans	67.4	-159.5	-158.2	0	0	0	0	0	110.4	L10 I16	L10-G14 VanDerWaalsContact O-O 3.1Å; G14-I16 PolarHBondContact O-N 2.83Å
15	P	39	Very low	44.1	Very low	120 Å²	120	69.5 Å²	69.5	78%	0.779	37%	0.368	S	S	*	.	S	Bend	trans	-77.9	58.2	-175.7	34.2	-36.9	0	0	0	112.7	T17	P15-T17 PolarHBondContact O-N 3.07Å
16	I	36.4	Very low	44.5	Very low	84 Å²	84	73.2 Å²	73.2	43%	0.431	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	99.4	164	-63.9	-166.5	0	0	0	108	F13 G14 V18	F13-I16 HydrophobicContact CB-CB 4.22Å; F13-I16 HydrophobicContact CB-CD1 3.52Å; F13-I16 HydrophobicContact CB-CG1 3.74Å; F13-I16 HydrophobicContact CD1-CD1 4.11Å; F13-I16 HydrophobicContact CG-CD1 4.06Å; G14-I16 PolarHBondContact O-N 2.83Å; I16-V18 HydrophobicContact CG2-CG2 4.16Å; I16-V18 PolarHBondContact O-N 3.37Å
17	T	40.4	Very low	44.7	Very low	76 Å²	76	73.2 Å²	73.2	47%	0.466	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	104.4	163.2	-65.5	0	0	0	0	108.9	A7 P15 L19	A7-T17 HydrophobicContact CB-CG2 3.42Å; A7-T17 VanDerWaalsContact CB-CG2 3.42Å; P15-T17 PolarHBondContact O-N 3.07Å; T17-L19 HydrophobicContact CG2-CD1 4.34Å; T17-L19 PolarHBondContact O-N 3.39Å
18	V	43.5	Very low	44.9	Very low	57 Å²	57	80.4 Å²	80.4	35%	0.345	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	111.3	167	177.2	0	0	0	0	107.6	V8 L10 I16 L20	V8-V18 PolarHBondContact N-O 3.16Å; V8-V18 VanDerWaalsContact N-O 3.11Å; V8-V18 PolarHBondContact O-N 2.99Å; L10-V18 HydrophobicContact CD1-CG2 3.52Å; L10-V18 HydrophobicContact CG-CG2 3.93Å; I16-V18 HydrophobicContact CG2-CG2 4.16Å; I16-V18 PolarHBondContact O-N 3.37Å; V18-L20 PolarHBondContact O-N 3.3Å; V18-L20 VanDerWaalsContact O-N 3.16Å
19	L	40.3	Very low	45.1	Very low	89 Å²	89	80.9 Å²	80.9	47%	0.466	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	100.8	176.7	-145.7	83.2	0	0	0	108.7	C5 T17 V21	C5-L19 HydrophobicContact CB-CD1 3.79Å; C5-L19 HydrophobicContact CB-CD2 3.96Å; C5-L19 HydrophobicContact CB-CG 3.91Å; T17-L19 HydrophobicContact CG2-CD1 4.34Å; T17-L19 PolarHBondContact O-N 3.39Å; L19-V21 PolarHBondContact O-N 3.22Å
20	L	44.9	Very low	45.3	Very low	35 Å²	35	79.5 Å²	79.5	18%	0.183	40%	0.403	C	S	.	.			trans	-81.9	100.5	-176.4	-112.1	155.9	0	0	0	109.9	V8 V18 C22 V41 F79	V8-L20 HydrophobicContact CB-CD1 4.08Å; V8-L20 HydrophobicContact CG2-CD1 3.61Å; V18-L20 PolarHBondContact O-N 3.3Å; V18-L20 VanDerWaalsContact O-N 3.16Å; L20-C22 VanDerWaalsContact C-N 3.28Å; L20-C22 PolarHBondContact O-N 3.1Å; L20-V41 HydrophobicContact CD1-CG1 4.26Å; L20-V41 HydrophobicContact CD1-CG2 3.71Å; L20-V41 HydrophobicContact CD2-CG2 4.44Å; L20-F79 HydrophobicContact CD1-CE1 4.5Å
21	V	38.6	Very low	45.7	Very low	76 Å²	76	79 Å²	79	46%	0.461	40%	0.401	S	S	.	.			trans	-74.2	76.9	-176.3	-177.1	0	0	0	0	111	L19 R23 S98	L19-V21 PolarHBondContact O-N 3.22Å; V21-R23 HydrophobicContact CG1-CG 4.45Å; V21-R23 PolarHBondContact O-N 2.88Å; V21-S98 VanDerWaalsContact CG1-CB 3.45Å; V21-S98 VanDerWaalsContact CG1-OG 3.28Å; V21-S98 WeakPolarHBondContact CG1-OG 3.34Å; V21-S98 WeakPolarHBondContact CG2-OG 3.24Å
22	C	42.7	Very low	46.2	Very low	11 Å²	11	73.8 Å²	73.8	7%	0.074	38%	0.377	C	S	.	.			trans	-77.3	84.6	176.7	-62.2	0	0	0	0	111.2	L20 L24 V39 V100	L20-C22 VanDerWaalsContact C-N 3.28Å; L20-C22 PolarHBondContact O-N 3.1Å; C22-L24 HydrophobicContact CB-CG 4.48Å; C22-L24 PolarHBondContact O-N 2.98Å; C22-V39 HydrophobicContact CB-CG2 4.46Å; C22-V39 VanDerWaalsContact SG-CG1 3.53Å; C22-V100 HydrophobicContact CB-CG2 4.4Å; C22-V100 WeakPolarHBondContact O-CG2 3.4Å
23	R	39.9	Very low	46.9	Very low	178 Å²	178	68.2 Å²	68.2	67%	0.672	35%	0.354	S	S	*	.			trans	-66.7	78.6	169.5	-74.2	-164.5	-171.7	-178.2	5	111.5	V21 H25	V21-R23 HydrophobicContact CG1-CG 4.45Å; V21-R23 PolarHBondContact O-N 2.88Å; R23-H25 VanDerWaalsContact C-N 3.28Å; R23-H25 PolarHBondContact O-N 2.87Å
24	L	47.9	Very low	47.9	Very low	33 Å²	33	64.1 Å²	64.1	17%	0.173	34%	0.341	C	S	.	.			trans	-75	81.2	168.6	-64.2	177.5	0	0	0	109.1	C22 M27 A37 F61 V81 V100	C22-L24 HydrophobicContact CB-CG 4.48Å; C22-L24 PolarHBondContact O-N 2.98Å; L24-M27 HydrophobicContact CB-CG 3.79Å; L24-M27 HydrophobicContact CD1-CE 4.49Å; L24-A37 HydrophobicContact CD1-CB 4.48Å; L24-A37 HydrophobicContact CD2-CB 3.5Å; L24-F61 HydrophobicContact CD1-CE1 4.25Å; L24-V81 HydrophobicContact CD1-CG1 4.48Å; L24-V100 HydrophobicContact CB-CG1 4.4Å; L24-V100 HydrophobicContact CD1-CG1 4.08Å; L24-V100 HydrophobicContact CG-CG1 4.4Å
25	H	43.7	Very low	49	Very low	143 Å²	143	65.7 Å²	65.7	66%	0.662	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	138	174.9	-91.1	-80.7	0	0	0	111.4	R23 M27	R23-H25 VanDerWaalsContact C-N 3.28Å; R23-H25 PolarHBondContact O-N 2.87Å; H25-M27 PolarHBondContact O-N 2.81Å
26	D	46.4	Very low	50.4	Low	125 Å²	125	63.1 Å²	63.1	67%	0.668	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	49.7	172.9	-65.8	-44.7	0	0	0	116.5	R28	D26-R28 PolarHBondContact O-N 2.85Å
27	M	49.6	Very low	51.6	Low	8 Å²	8	60.2 Å²	60.2	4%	0.039	31%	0.309	C	S	.	.			trans	-75.7	54.5	162.2	-66.7	-70.5	-86.3	0	0	111.7	L24 H25 I29 K35 F83 G102 D103	L24-M27 HydrophobicContact CB-CG 3.79Å; L24-M27 HydrophobicContact CD1-CE 4.49Å; H25-M27 PolarHBondContact O-N 2.81Å; M27-I29 HydrophobicContact CB-CD1 3.82Å; M27-I29 HydrophobicContact CE-CD1 3.66Å; M27-I29 HydrophobicContact CG-CD1 4.44Å; M27-I29 PolarHBondContact O-N 3.34Å; M27-I29 HydrophobicContact SD-CD1 3.94Å; M27-K35 HydrophobicContact CE-CB 4.2Å; M27-K35 HydrophobicContact CE-CD 4.29Å; M27-K35 HydrophobicContact CE-CG 4.22Å; M27-K35 HydrophobicContact SD-CD 3.77Å; M27-K35 HydrophobicContact SD-CG 4.28Å; M27-F83 HydrophobicContact CE-CB 3.76Å; M27-G102 VanDerWaalsContact O-CA 3.32Å; M27-G102 WeakPolarHBondContact O-CA 3.5Å; M27-D103 PolarHBondContact O-N 3.15Å
28	R	49.6	Very low	53	Low	167 Å²	167	62.2 Å²	62.2	63%	0.63	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.9	102.2	168.8	-73.3	-164.9	154.8	161.8	1.2	109.6	D26 D103 V105	D26-R28 PolarHBondContact O-N 2.85Å; R28-D103 HydrophobicContact CG-CB 4.13Å; R28-D103 IonicContact CZ-OD2 2.8Å; R28-D103 IonicContact NE-OD2 3.89Å; R28-D103 PolarHBondContact NE-OD2 3.42Å; R28-D103 IonicContact NH2-OD2 2.72Å; R28-D103 PolarHBondContact NH2-OD2 2.71Å; R28-D103 VanDerWaalsContact NH2-OD2 3.17Å; R28-V105 HydrophobicContact CB-CG2 4.11Å
29	I	56.9	Low	54.1	Low	13 Å²	13	60.2 Å²	60.2	7%	0.067	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	141.7	-167.1	-62.1	151.8	0	0	0	109.6	M27 I33 K35 F83 D103 V105	M27-I29 HydrophobicContact CB-CD1 3.82Å; M27-I29 HydrophobicContact CE-CD1 3.66Å; M27-I29 HydrophobicContact CG-CD1 4.44Å; M27-I29 PolarHBondContact O-N 3.34Å; M27-I29 HydrophobicContact SD-CD1 3.94Å; I29-I33 HydrophobicContact CG2-CB 4.19Å; I29-I33 VanDerWaalsContact CG2-O 3.24Å; I29-I33 WeakPolarHBondContact CG2-O 3.46Å; I29-K35 HydrophobicContact CD1-CB 3.64Å; I29-K35 HydrophobicContact CD1-CD 3.94Å; I29-K35 HydrophobicContact CD1-CG 4.36Å; I29-K35 HydrophobicContact CG1-CB 4.05Å; I29-K35 HydrophobicContact CG1-CD 3.97Å; I29-F83 HydrophobicContact CB-CD1 4.36Å; I29-F83 HydrophobicContact CB-CE1 4.46Å; I29-F83 HydrophobicContact CD1-CB 4.3Å; I29-F83 HydrophobicContact CD1-CD1 3.47Å; I29-F83 VanDerWaalsContact CD1-CD1 3.47Å; I29-F83 HydrophobicContact CD1-CE1 4.2Å; I29-F83 HydrophobicContact CD1-CG 4.27Å; I29-D103 PolarHBondContact N-O 3.08Å; I29-D103 VanDerWaalsContact N-O 3.15Å; I29-D103 VanDerWaalsContact O-O 3.12Å; I29-V105 PolarHBondContact O-N 3.18Å
30	S	57.5	Low	55.6	Low	20 Å²	20	64.6 Å²	64.6	14%	0.14	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	135.4	175.3	-72.2	0	0	0	0	111.5	G32 I33 V105 P108	S30-G32 PolarHBondContact O-N 3.11Å; S30-I33 PolarHBondContact O-N 2.97Å; S30-V105 WeakPolarHBondContact CA-O 3.45Å; S30-P108 WeakPolarHBondContact OG-CD 3.24Å
31	I	60.5	Low	56.9	Low	17 Å²	17	63.5 Å²	63.5	9%	0.087	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	125.4	174.4	-65.3	164.3	0	0	0	109.8	G85 Q88 V105 N107 P113	I31-G85 WeakPolarHBondContact CA-O 3.26Å; I31-Q88 HydrophobicContact CD1-CB 3.51Å; I31-Q88 HydrophobicContact CD1-CG 3.87Å; I31-V105 PolarHBondContact N-O 3.44Å; I31-V105 VanDerWaalsContact N-O 3.1Å; I31-N107 WeakPolarHBondContact O-CB 3.21Å; I31-N107 PolarHBondContact O-ND2 3.31Å; I31-P113 HydrophobicContact CG2-CG 4.13Å
32	G	59.1	Low	58.8	Low	4 Å²	4	65 Å²	65	4%	0.041	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.5	21.3	-175.1	0	0	0	0	0	115.7	S30 G85 L207	S30-G32 PolarHBondContact O-N 3.11Å; G32-G85 PolarHBondContact N-O 3.32Å; G32-L207 CarbonylContact C-O 3.54Å; G32-L207 WeakPolarHBondContact CA-O 3.33Å; G32-L207 CarbonylContact O-C 3.52Å; G32-L207 PolarHBondContact O-N 2.04Å; G32-L207 VanDerWaalsContact O-O 3.08Å
33	I	63.4	Low	60.6	Low	22 Å²	22	64.6 Å²	64.6	11%	0.113	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-116.4	131.7	157.7	-54	-170	0	0	0	106.8	I29 S30 L84 Y109 E204 L206	I29-I33 HydrophobicContact CG2-CB 4.19Å; I29-I33 VanDerWaalsContact CG2-O 3.24Å; I29-I33 WeakPolarHBondContact CG2-O 3.46Å; S30-I33 PolarHBondContact O-N 2.97Å; I33-L84 WeakPolarHBondContact O-CD1 3.44Å; I33-Y109 HydrophobicContact CD1-CE2 4.48Å; I33-E204 HydrophobicContact CG2-CB 4.26Å; I33-L206 HydrophobicContact CD1-CD2 3.69Å; I33-L206 HydrophobicContact CG1-CD2 3.76Å
34	A	64.9	Low	62.3	Low	26 Å²	26	61.2 Å²	61.2	22%	0.215	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	129.1	173.2	0	0	0	0	0	109.7	F83 L84 L207	A34-F83 VanDerWaalsContact CA-O 3.26Å; A34-F83 WeakPolarHBondContact CA-O 3.24Å; A34-L84 HydrophobicContact CB-CB 4.2Å; A34-L84 HydrophobicContact CB-CD1 4.05Å; A34-L207 HydrophobicContact CB-CD1 3.63Å
35	K	64.3	Low	63.5	Low	75 Å²	75	61.4 Å²	61.4	33%	0.326	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	124.7	173.7	-175.6	177	171.4	-167.6	0	109.2	M27 I29 A82 F83	M27-K35 HydrophobicContact CE-CB 4.2Å; M27-K35 HydrophobicContact CE-CD 4.29Å; M27-K35 HydrophobicContact CE-CG 4.22Å; M27-K35 HydrophobicContact SD-CD 3.77Å; M27-K35 HydrophobicContact SD-CG 4.28Å; I29-K35 HydrophobicContact CD1-CB 3.64Å; I29-K35 HydrophobicContact CD1-CD 3.94Å; I29-K35 HydrophobicContact CD1-CG 4.36Å; I29-K35 HydrophobicContact CG1-CB 4.05Å; I29-K35 HydrophobicContact CG1-CD 3.97Å; K35-A82 WeakPolarHBondContact O-CA 3.5Å; K35-F83 PolarHBondContact N-O 3.38Å; K35-F83 PolarHBondContact O-N 3.31Å
36	S	67	Low	65.3	Low	67 Å²	67	59.8 Å²	59.8	47%	0.469	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	153.5	171.8	60.4	0	0	0	0	112	V81	S36-V81 CarbonylContact C-O 3.58Å; S36-V81 WeakPolarHBondContact CA-O 3.42Å
37	A	62.3	Low	66.9	Low	22 Å²	22	57.6 Å²	57.6	18%	0.182	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	135.4	171	0	0	0	0	0	109.4	L24 V81	L24-A37 HydrophobicContact CD1-CB 4.48Å; L24-A37 HydrophobicContact CD2-CB 3.5Å; A37-V81 PolarHBondContact N-O 3.14Å; A37-V81 PolarHBondContact O-N 3.16Å
38	K	70.8	Confident	68.3	Low	119 Å²	119	58.7 Å²	58.7	52%	0.517	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	114.9	-176.6	-165	151.9	-176	158.5	0	110.6	E67 T78 E80	K38-E67 WeakPolarHBondContact CE-OE1 3.2Å; K38-E67 IonicContact NZ-OE1 3.21Å; K38-E67 PolarHBondContact NZ-OE1 2.9Å; K38-T78 WeakPolarHBondContact CE-OG1 3.36Å; K38-T78 HydrophobicContact CG-CG2 4.41Å; K38-E80 HydrophobicContact CB-CG 4.26Å; K38-E80 HydrophobicContact CD-CG 4.2Å; K38-E80 HydrophobicContact CG-CG 4.11Å
39	V	66.7	Low	69.6	Low	14 Å²	14	51.3 Å²	51.3	9%	0.085	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	133.4	179.7	176.8	0	0	0	0	109.4	C22 T78 F79 V81	C22-V39 HydrophobicContact CB-CG2 4.46Å; C22-V39 VanDerWaalsContact SG-CG1 3.53Å; V39-T78 CarbonylContact O-C 3.44Å; V39-T78 WeakPolarHBondContact O-CA 3.36Å; V39-T78 WeakPolarHBondContact O-CB 3.41Å; V39-F79 HydrophobicContact CB-CD1 4.1Å; V39-F79 HydrophobicContact CB-CE1 3.79Å; V39-F79 HydrophobicContact CB-CE2 4.23Å; V39-F79 HydrophobicContact CB-CG 4.46Å; V39-F79 HydrophobicContact CB-CZ 3.87Å; V39-F79 HydrophobicContact CG1-CD1 4.16Å; V39-F79 HydrophobicContact CG1-CE1 3.45Å; V39-F79 VanDerWaalsContact CG1-CE1 3.45Å; V39-F79 HydrophobicContact CG1-CZ 3.67Å; V39-F79 HydrophobicContact CG2-CE2 4.4Å; V39-F79 HydrophobicContact CG2-CZ 4.28Å; V39-F79 PolarHBondContact N-O 2.83Å; V39-F79 PolarHBondContact O-N 2.87Å; V39-V81 HydrophobicContact CG2-CB 4.39Å; V39-V81 HydrophobicContact CG2-CG2 3.66Å
40	R	70.7	Confident	70.6	Confident	182 Å²	182	56.1 Å²	56.1	69%	0.687	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.2	125.5	175.4	-169.2	172.6	-175.7	-177.3	-0.5	110.9	S76 T78	R40-S76 PolarHBondContact NE-OG 2.89Å; R40-S76 VanDerWaalsContact NE-OG 3.13Å; R40-S76 PolarHBondContact NH2-OG 2.95Å; R40-T78 HydrophobicContact CB-CG2 3.99Å; R40-T78 HydrophobicContact CG-CG2 3.97Å
41	V	73.1	Confident	71.3	Confident	12 Å²	12	55.4 Å²	55.4	7%	0.073	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	130.3	173.5	-175.3	0	0	0	0	107.9	L20 L51 F66 L71 S76 T77 F79	L20-V41 HydrophobicContact CD1-CG1 4.26Å; L20-V41 HydrophobicContact CD1-CG2 3.71Å; L20-V41 HydrophobicContact CD2-CG2 4.44Å; V41-L51 HydrophobicContact CG1-CD1 4.37Å; V41-F66 HydrophobicContact CG2-CE1 4.37Å; V41-L71 HydrophobicContact CG1-CD1 4.07Å; V41-S76 CarbonylContact O-C 3.49Å; V41-S76 WeakPolarHBondContact O-CA 3.48Å; V41-S76 VanDerWaalsContact O-CB 3.25Å; V41-S76 WeakPolarHBondContact O-CB 3.25Å; V41-T77 HydrophobicContact CB-CG2 3.97Å; V41-T77 PolarHBondContact N-O 3Å; V41-T77 PolarHBondContact O-N 3.21Å; V41-T77 VanDerWaalsContact O-O 3.11Å; V41-F79 HydrophobicContact CG2-CD1 3.83Å; V41-F79 HydrophobicContact CG2-CE1 3.55Å
42	H	77.6	Confident	71.6	Confident	106 Å²	106	57.7 Å²	57.7	49%	0.491	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	146.6	175.9	169.3	57.7	0	0	0	109.2	P44 G74 G75	H42-P44 VanDerWaalsContact O-CD 3.24Å; H42-P44 WeakPolarHBondContact O-CD 3.46Å; H42-G74 PolarHBondContact CE1-O 2.84Å; H42-G74 PolarHBondContact ND1-O 3.2Å; H42-G75 WeakPolarHBondContact CA-O 3.23Å; H42-G75 PolarHBondContact ND1-O 3.07Å
43	N	80.6	Confident	71.9	Confident	4 Å²	4	59.7 Å²	59.7	2%	0.021	32%	0.318	C	S	.	.			trans	-98	100.8	170.2	179.8	17.6	0	0	0	110.1	T45 Y47 V49 L71 E72 G74 G75	N43-T45 PolarHBondContact O-N 3.1Å; N43-T45 WeakPolarHBondContact OD1-CB 3.21Å; N43-T45 WeakPolarHBondContact OD1-CG2 3.41Å; N43-T45 PolarHBondContact OD1-N 3.06Å; N43-T45 PolarHBondContact OD1-OG1 3.16Å; N43-Y47 PolarHBondContact ND2-O 2.86Å; N43-V49 WeakPolarHBondContact OD1-CG2 3.49Å; N43-L71 HydrophobicContact CB-CB 3.65Å; N43-L71 HydrophobicContact CB-CD1 3.96Å; N43-L71 HydrophobicContact CB-CG 4.46Å; N43-L71 PolarHBondContact ND2-O 3.35Å; N43-E72 PolarHBondContact ND2-O 2.6Å; N43-E72 VanDerWaalsContact ND2-O 3.1Å; N43-G74 WeakPolarHBondContact O-CA 3.29Å; N43-G74 PolarHBondContact O-N 2.79Å; N43-G75 PolarHBondContact N-O 2.83Å
44	P	74.8	Confident	72	Confident	107 Å²	107	60.5 Å²	60.5	70%	0.695	32%	0.322	S	S	*	.			trans	-80.8	3.1	177.8	35.9	-38.2	0	0	0	113.3	H42	H42-P44 VanDerWaalsContact O-CD 3.24Å; H42-P44 WeakPolarHBondContact O-CD 3.46Å
45	T	74.4	Confident	71.7	Confident	36 Å²	36	62.2 Å²	62.2	22%	0.221	33%	0.333	C	S	.	.	S	Bend	trans	-95.4	163.4	-173.2	84.9	0	0	0	0	112.3	N43 Y47 V49 P73	N43-T45 PolarHBondContact O-N 3.1Å; N43-T45 WeakPolarHBondContact OD1-CB 3.21Å; N43-T45 WeakPolarHBondContact OD1-CG2 3.41Å; N43-T45 PolarHBondContact OD1-N 3.06Å; N43-T45 PolarHBondContact OD1-OG1 3.16Å; T45-Y47 VanDerWaalsContact CB-CZ 3.45Å; T45-Y47 HydrophobicContact CG2-CE1 4.42Å; T45-Y47 HydrophobicContact CG2-CE2 4.07Å; T45-Y47 WeakPolarHBondContact CG2-OH 3.25Å; T45-Y47 PolarHBondContact O-N 2.87Å; T45-Y47 VanDerWaalsContact OG1-CD2 3.3Å; T45-Y47 WeakPolarHBondContact OG1-CD2 3.4Å; T45-Y47 WeakPolarHBondContact OG1-CE2 3.28Å; T45-Y47 VanDerWaalsContact OG1-CZ 3.32Å; T45-Y47 PolarHBondContact OG1-N 2.98Å; T45-Y47 PolarHBondContact OG1-O 2.96Å; T45-Y47 VanDerWaalsContact OG1-O 3.07Å; T45-V49 HydrophobicContact CG2-CG2 4.43Å; T45-P73 WeakPolarHBondContact O-CA 3.25Å; T45-P73 WeakPolarHBondContact O-CB 3.41Å
46	S	81.6	Confident	71.1	Confident	110 Å²	110	60.6 Å²	60.6	77%	0.769	34%	0.337	S	S	*	.	S	Bend	trans	-81.6	9.1	179.7	52.9	0	0	0	0	114.7
47	Y	80.4	Confident	70.3	Confident	78 Å²	78	59.6 Å²	59.6	31%	0.306	33%	0.33	S	S	.	.	S	Bend	trans	-140.2	157.2	-176.9	48.3	-97.4	0	0	0	111.6	F13 N43 T45 V49	F13-Y47 AromaticContact CE2-CE2 3.55Å; F13-Y47 HydrophobicContact CE2-CE2 3.55Å; F13-Y47 AromaticContact CE2-CZ 3.51Å; F13-Y47 WeakPolarHBondContact CE2-OH 3.39Å; F13-Y47 HydrophobicContact CZ-CE1 4.2Å; F13-Y47 HydrophobicContact CZ-CE2 4.07Å; F13-Y47 AromaticContact CZ-CZ 3.54Å; F13-Y47 WeakPolarHBondContact CZ-OH 3.46Å; N43-Y47 PolarHBondContact ND2-O 2.86Å; T45-Y47 VanDerWaalsContact CB-CZ 3.45Å; T45-Y47 HydrophobicContact CG2-CE1 4.42Å; T45-Y47 HydrophobicContact CG2-CE2 4.07Å; T45-Y47 WeakPolarHBondContact CG2-OH 3.25Å; T45-Y47 PolarHBondContact O-N 2.87Å; T45-Y47 VanDerWaalsContact OG1-CD2 3.3Å; T45-Y47 WeakPolarHBondContact OG1-CD2 3.4Å; T45-Y47 WeakPolarHBondContact OG1-CE2 3.28Å; T45-Y47 VanDerWaalsContact OG1-CZ 3.32Å; T45-Y47 PolarHBondContact OG1-N 2.98Å; T45-Y47 PolarHBondContact OG1-O 2.96Å; T45-Y47 VanDerWaalsContact OG1-O 3.07Å; Y47-V49 HydrophobicContact CD2-CG2 3.94Å; Y47-V49 HydrophobicContact CE2-CG2 3.69Å; Y47-V49 PolarHBondContact O-N 2.9Å
48	A	78.8	Confident	69.9	Low	31 Å²	31	60.9 Å²	60.9	26%	0.256	34%	0.336	S	S	.	.			trans	-61.1	127.8	174.8	0	0	0	0	0	111.9	V70 L71	A48-V70 HydrophobicContact CB-CG1 4.31Å; A48-L71 CarbonylContact C-O 3.55Å; A48-L71 VanDerWaalsContact CA-O 3.29Å; A48-L71 WeakPolarHBondContact CA-O 2.76Å
49	V	75.4	Confident	69.5	Low	13 Å²	13	59.6 Å²	59.6	8%	0.079	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	128.8	179.7	168.9	0	0	0	0	109.7	L10 N43 T45 Y47 L51 V70 L71	L10-V49 HydrophobicContact CD1-CG1 3.86Å; L10-V49 HydrophobicContact CD2-CG1 3.68Å; L10-V49 HydrophobicContact CG-CG1 4.3Å; N43-V49 WeakPolarHBondContact OD1-CG2 3.49Å; T45-V49 HydrophobicContact CG2-CG2 4.43Å; Y47-V49 HydrophobicContact CD2-CG2 3.94Å; Y47-V49 HydrophobicContact CE2-CG2 3.69Å; Y47-V49 PolarHBondContact O-N 2.9Å; V49-L51 HydrophobicContact CG1-CD2 3.98Å; V49-V70 WeakPolarHBondContact O-CA 3.12Å; V49-L71 PolarHBondContact N-O 3.01Å; V49-L71 PolarHBondContact O-N 3.13Å
50	R	77.8	Confident	69.3	Low	114 Å²	114	60.8 Å²	60.8	43%	0.43	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	130.1	175.6	176.1	167.3	159.2	157.9	-4.6	111.4	L10 Q11 D52 K69 V70	L10-R50 WeakPolarHBondContact CA-O 3.22Å; Q11-R50 HydrophobicContact CB-CB 4.49Å; Q11-R50 PolarHBondContact N-O 3.06Å; Q11-R50 VanDerWaalsContact OE1-CD 3.24Å; Q11-R50 VanDerWaalsContact OE1-NE 3.16Å; R50-D52 IonicContact CZ-OD1 2.98Å; R50-D52 VanDerWaalsContact CZ-OD1 3.28Å; R50-D52 IonicContact NE-OD1 2.72Å; R50-D52 PolarHBondContact NE-OD1 2.86Å; R50-D52 IonicContact NH2-OD1 3.27Å; R50-D52 PolarHBondContact NH2-OD1 2.9Å; R50-K69 WeakPolarHBondContact CA-O 3.19Å; R50-V70 HydrophobicContact CB-CG2 4.36Å; R50-V70 HydrophobicContact CG-CG2 4.34Å
51	L	73	Confident	69	Low	4 Å²	4	53 Å²	53	2%	0.021	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	110.2	177.8	-40.5	178	0	0	0	108.6	V8 L10 V41 V49 F66 K69 L71 T77	V8-L51 HydrophobicContact CG1-CD2 4.24Å; L10-L51 HydrophobicContact CD2-CD2 3.42Å; L10-L51 VanDerWaalsContact CD2-CD2 3.42Å; V41-L51 HydrophobicContact CG1-CD1 4.37Å; V49-L51 HydrophobicContact CG1-CD2 3.98Å; L51-F66 HydrophobicContact CB-CD2 3.71Å; L51-F66 HydrophobicContact CB-CE1 4.4Å; L51-F66 HydrophobicContact CB-CE2 3.38Å; L51-F66 HydrophobicContact CB-CG 4.35Å; L51-F66 HydrophobicContact CB-CZ 3.75Å; L51-F66 HydrophobicContact CD1-CD1 3.69Å; L51-F66 HydrophobicContact CD1-CD2 4.09Å; L51-F66 HydrophobicContact CD1-CE1 3.73Å; L51-F66 HydrophobicContact CD1-CE2 4.14Å; L51-F66 HydrophobicContact CD1-CG 3.86Å; L51-F66 HydrophobicContact CD1-CZ 3.94Å; L51-F66 HydrophobicContact CG-CE2 4.39Å; L51-F66 HydrophobicContact CG-CZ 4.42Å; L51-K69 PolarHBondContact N-O 2.78Å; L51-L71 HydrophobicContact CD1-CD1 4.18Å; L51-L71 HydrophobicContact CD1-CG 4.41Å; L51-L71 HydrophobicContact CD2-CD1 4.45Å; L51-T77 HydrophobicContact CD1-CG2 3.64Å
52	D	67.7	Low	68.7	Low	65 Å²	65	57.5 Å²	57.5	35%	0.348	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	-40.6	-177.4	-79.7	-42	0	0	0	113.2	T9 Q11 R50	T9-D52 PolarHBondContact O-N 3.45Å; Q11-D52 VanDerWaalsContact CB-OD2 3.25Å; Q11-D52 WeakPolarHBondContact CB-OD2 3.12Å; Q11-D52 WeakPolarHBondContact CG-OD2 3.3Å; R50-D52 IonicContact CZ-OD1 2.98Å; R50-D52 VanDerWaalsContact CZ-OD1 3.28Å; R50-D52 IonicContact NE-OD1 2.72Å; R50-D52 PolarHBondContact NE-OD1 2.86Å; R50-D52 IonicContact NH2-OD1 3.27Å; R50-D52 PolarHBondContact NH2-OD1 2.9Å
53	A	65.2	Low	68.1	Low	46 Å²	46	54.7 Å²	54.7	38%	0.38	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	155.3	-174.1	0	0	0	0	0	113.2	V8 T9	V8-A53 WeakPolarHBondContact CA-O 3.1Å; T9-A53 PolarHBondContact N-O 3.07Å
54	I	65.9	Low	67.6	Low	39 Å²	39	57 Å²	57	20%	0.2	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	130	165.6	-54.4	157.5	0	0	0	106.5	V8 C63 S64 F66 F79	V8-I54 HydrophobicContact CG2-CG1 4.21Å; I54-C63 HydrophobicContact CB-CB 4.44Å; I54-C63 HydrophobicContact CD1-CB 4.25Å; I54-C63 HydrophobicContact CG2-CB 3.93Å; I54-S64 WeakPolarHBondContact CD1-O 3.38Å; I54-F66 HydrophobicContact CD1-CD1 4.03Å; I54-F66 HydrophobicContact CD1-CD2 4.37Å; I54-F66 HydrophobicContact CD1-CE1 3.67Å; I54-F66 HydrophobicContact CD1-CE2 4.04Å; I54-F66 HydrophobicContact CD1-CG 4.37Å; I54-F66 HydrophobicContact CD1-CZ 3.69Å; I54-F66 HydrophobicContact CG1-CD1 4.42Å; I54-F66 HydrophobicContact CG1-CD2 4.44Å; I54-F66 HydrophobicContact CG1-CE1 3.61Å; I54-F66 HydrophobicContact CG1-CE2 3.64Å; I54-F66 HydrophobicContact CG1-CZ 3.17Å; I54-F79 HydrophobicContact CD1-CB 4.16Å; I54-F79 HydrophobicContact CD1-CD1 4.35Å; I54-F79 HydrophobicContact CD1-CD2 3.63Å; I54-F79 HydrophobicContact CD1-CE2 3.99Å; I54-F79 HydrophobicContact CD1-CG 3.82Å; I54-F79 HydrophobicContact CG2-CE2 4.2Å
55	S	56.6	Low	67.6	Low	62 Å²	62	60.3 Å²	60.3	43%	0.434	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	134.2	168	56.4	0	0	0	0	111.2	F6 A7	F6-S55 WeakPolarHBondContact CA-O 3.45Å; A7-S55 PolarHBondContact N-O 2.91Å; A7-S55 PolarHBondContact O-N 3.35Å
56	G	53.7	Low	67.6	Low	41 Å²	41	59.5 Å²	59.5	42%	0.423	34%	0.339	S	S	.	.			trans	-103.2	148.2	170.5	0	0	0	0	0	110.3
57	S	50.1	Low	67.5	Low	46 Å²	46	59.7 Å²	59.7	32%	0.322	33%	0.328	S	S	.	.	S	Bend	trans	-97.3	6.2	-175.9	43.3	0	0	0	0	114	N4 C5	N4-S57 VanDerWaalsContact C-OG 3.24Å; N4-S57 VanDerWaalsContact CA-OG 3.25Å; N4-S57 WeakPolarHBondContact CA-OG 3.39Å; N4-S57 WeakPolarHBondContact OD1-CB 3.44Å; C5-S57 PolarHBondContact N-OG 3.34Å; C5-S57 PolarHBondContact O-OG 2.94Å
58	T	53	Low	67.4	Low	49 Å²	49	60.5 Å²	60.5	30%	0.301	34%	0.338	S	S	.	.	S	Bend	trans	-142.3	132.4	-169.9	44.9	0	0	0	0	110.7	H60 F61	T58-H60 PolarHBondContact O-N 3.45Å; T58-H60 VanDerWaalsContact O-N 3.12Å; T58-F61 PolarHBondContact O-N 2.95Å; T58-F61 VanDerWaalsContact OG1-CD2 3.25Å; T58-F61 WeakPolarHBondContact OG1-CD2 3.49Å
59	V	63.3	Low	67.4	Low	93 Å²	93	64.8 Å²	64.8	56%	0.564	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-14.7	-179.3	-62.2	0	0	0	0	114	F61 F86	V59-F61 VanDerWaalsContact C-N 3.32Å; V59-F86 HydrophobicContact CB-CE2 4.29Å; V59-F86 HydrophobicContact CG2-CD2 4.1Å; V59-F86 HydrophobicContact CG2-CE2 4.04Å
60	H	61.9	Low	67.8	Low	38 Å²	38	67.7 Å²	67.7	18%	0.176	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-6.1	178.8	-51.6	-42.2	0	0	0	114	T58 F83 L84 F86	T58-H60 PolarHBondContact O-N 3.45Å; T58-H60 VanDerWaalsContact O-N 3.12Å; H60-F83 HydrophobicContact CB-CD2 4.01Å; H60-F83 HydrophobicContact CB-CE2 3.66Å; H60-F83 HydrophobicContact CB-CZ 4.46Å; H60-F83 CarbonylContact O-C 3.53Å; H60-F83 VanDerWaalsContact O-CA 3.31Å; H60-F83 WeakPolarHBondContact O-CA 3.31Å; H60-F83 WeakPolarHBondContact O-CD2 3.47Å; H60-L84 PolarHBondContact O-N 2.96Å; H60-F86 AromaticContact CE1-CD2 3.58Å; H60-F86 AromaticContact CE1-CG 3.9Å; H60-F86 AromaticContact ND1-CD2 3.24Å; H60-F86 WeakPolarHBondContact ND1-CD2 3.13Å; H60-F86 AromaticContact ND1-CE2 3.9Å; H60-F86 AromaticContact ND1-CG 3.52Å
61	F	64.2	Low	68	Low	20 Å²	20	62.6 Å²	62.6	9%	0.088	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	128.9	-178.8	-70.2	-96.8	0	0	0	111.9	F6 L24 T58 V59 V81 A82 F83 V100	F6-F61 HydrophobicContact CE1-CB 4.21Å; F6-F61 HydrophobicContact CE2-CD1 4.33Å; F6-F61 HydrophobicContact CZ-CB 3.66Å; F6-F61 AromaticContact CZ-CD1 3.88Å; F6-F61 HydrophobicContact CZ-CD1 3.88Å; F6-F61 AromaticContact CZ-CG 3.85Å; F6-F61 HydrophobicContact CZ-CG 3.85Å; L24-F61 HydrophobicContact CD1-CE1 4.25Å; T58-F61 PolarHBondContact O-N 2.95Å; T58-F61 VanDerWaalsContact OG1-CD2 3.25Å; T58-F61 WeakPolarHBondContact OG1-CD2 3.49Å; V59-F61 VanDerWaalsContact C-N 3.32Å; F61-V81 HydrophobicContact CD1-CG1 3.71Å; F61-V81 HydrophobicContact CE1-CG1 4.47Å; F61-A82 WeakPolarHBondContact CA-O 3.25Å; F61-F83 HydrophobicContact CD1-CB 4.04Å; F61-F83 AromaticContact CD1-CD2 3.91Å; F61-F83 HydrophobicContact CD1-CD2 3.91Å; F61-F83 HydrophobicContact CD1-CG 4.48Å; F61-F83 AromaticContact CD2-CD2 3.73Å; F61-F83 HydrophobicContact CD2-CD2 3.73Å; F61-F83 HydrophobicContact CD2-CE2 4.18Å; F61-F83 HydrophobicContact CE1-CB 3.93Å; F61-F83 AromaticContact CE1-CD2 3.6Å; F61-F83 HydrophobicContact CE1-CD2 3.6Å; F61-F83 HydrophobicContact CE1-CG 4.17Å; F61-F83 AromaticContact CE2-CD2 3.42Å; F61-F83 HydrophobicContact CE2-CD2 3.42Å; F61-F83 VanDerWaalsContact CE2-CD2 3.42Å; F61-F83 AromaticContact CE2-CE2 3.65Å; F61-F83 HydrophobicContact CE2-CE2 3.65Å; F61-F83 HydrophobicContact CG-CD2 4Å; F61-F83 AromaticContact CZ-CD2 3.36Å; F61-F83 HydrophobicContact CZ-CD2 3.36Å; F61-F83 AromaticContact CZ-CE2 3.85Å; F61-F83 HydrophobicContact CZ-CE2 3.85Å; F61-F83 HydrophobicContact CZ-CG 4.27Å; F61-V100 HydrophobicContact CE1-CG1 3.99Å; F61-V100 HydrophobicContact CZ-CG1 3.88Å
62	H	66.4	Low	68.6	Low	105 Å²	105	67.9 Å²	67.9	49%	0.486	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	143.5	175.1	-53.9	-75	0	0	0	109.9	V81 A82	H62-V81 CarbonylContact O-C 3.58Å; H62-V81 WeakPolarHBondContact O-CA 3.32Å; H62-A82 PolarHBondContact N-O 2.77Å; H62-A82 PolarHBondContact O-N 3.25Å
63	C	65.2	Low	69.4	Low	48 Å²	48	68 Å²	68	32%	0.324	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	144	-179.8	-60.4	0	0	0	0	111.1	F6 I54 F79 E80	F6-C63 VanDerWaalsContact CE1-SG 3.54Å; I54-C63 HydrophobicContact CB-CB 4.44Å; I54-C63 HydrophobicContact CD1-CB 4.25Å; I54-C63 HydrophobicContact CG2-CB 3.93Å; C63-F79 HydrophobicContact CB-CD2 4.31Å; C63-F79 HydrophobicContact CB-CE2 4.42Å; C63-E80 CarbonylContact C-O 3.52Å; C63-E80 VanDerWaalsContact CA-O 3.31Å; C63-E80 WeakPolarHBondContact CA-O 3.31Å
64	S	70.5	Confident	70.1	Confident	51 Å²	51	68.2 Å²	68.2	36%	0.357	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-71.9	169.1	163	79.8	0	0	0	0	110.6	I54 E80	I54-S64 WeakPolarHBondContact CD1-O 3.38Å; S64-E80 PolarHBondContact N-O 2.78Å; S64-E80 PolarHBondContact OG-N 3.17Å
65	F	74	Confident	70.9	Confident	178 Å²	178	67.4 Å²	67.4	78%	0.781	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-67.3	158.9	160.9	-56.1	-72.9	0	0	0	110.8
66	F	75.7	Confident	72	Confident	18 Å²	18	66.5 Å²	66.5	8%	0.079	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-65.6	142.7	168.1	-51.5	-74.3	0	0	0	110.9	V8 V41 L51 I54 N68 T77 F79	V8-F66 HydrophobicContact CG1-CZ 3.79Å; V8-F66 HydrophobicContact CG2-CE1 4.36Å; V8-F66 HydrophobicContact CG2-CZ 3.96Å; V41-F66 HydrophobicContact CG2-CE1 4.37Å; L51-F66 HydrophobicContact CB-CD2 3.71Å; L51-F66 HydrophobicContact CB-CE1 4.4Å; L51-F66 HydrophobicContact CB-CE2 3.38Å; L51-F66 HydrophobicContact CB-CG 4.35Å; L51-F66 HydrophobicContact CB-CZ 3.75Å; L51-F66 HydrophobicContact CD1-CD1 3.69Å; L51-F66 HydrophobicContact CD1-CD2 4.09Å; L51-F66 HydrophobicContact CD1-CE1 3.73Å; L51-F66 HydrophobicContact CD1-CE2 4.14Å; L51-F66 HydrophobicContact CD1-CG 3.86Å; L51-F66 HydrophobicContact CD1-CZ 3.94Å; L51-F66 HydrophobicContact CG-CE2 4.39Å; L51-F66 HydrophobicContact CG-CZ 4.42Å; I54-F66 HydrophobicContact CD1-CD1 4.03Å; I54-F66 HydrophobicContact CD1-CD2 4.37Å; I54-F66 HydrophobicContact CD1-CE1 3.67Å; I54-F66 HydrophobicContact CD1-CE2 4.04Å; I54-F66 HydrophobicContact CD1-CG 4.37Å; I54-F66 HydrophobicContact CD1-CZ 3.69Å; I54-F66 HydrophobicContact CG1-CD1 4.42Å; I54-F66 HydrophobicContact CG1-CD2 4.44Å; I54-F66 HydrophobicContact CG1-CE1 3.61Å; I54-F66 HydrophobicContact CG1-CE2 3.64Å; I54-F66 HydrophobicContact CG1-CZ 3.17Å; F66-N68 WeakPolarHBondContact CB-O 3.15Å; F66-T77 HydrophobicContact CB-CG2 4.47Å; F66-T77 HydrophobicContact CD1-CG2 4.28Å; F66-F79 HydrophobicContact CD1-CB 4.11Å; F66-F79 AromaticContact CD1-CD1 3.78Å; F66-F79 HydrophobicContact CD1-CD1 3.78Å; F66-F79 HydrophobicContact CD1-CG 4.19Å; F66-F79 AromaticContact CE1-CD1 3.74Å; F66-F79 HydrophobicContact CE1-CD1 3.74Å; F66-F79 HydrophobicContact CE1-CE1 4.05Å; F66-F79 HydrophobicContact CE1-CG 4.34Å
67	E	79	Confident	73.3	Confident	114 Å²	114	64.7 Å²	64.7	53%	0.533	36%	0.36	S	S	.	.	S	Bend	trans	-60	-51.8	169.7	-67.3	166.7	160	0	0	111.1	K38 T78	K38-E67 WeakPolarHBondContact CE-OE1 3.2Å; K38-E67 IonicContact NZ-OE1 3.21Å; K38-E67 PolarHBondContact NZ-OE1 2.9Å; E67-T78 PolarHBondContact N-O 2.86Å; E67-T78 VanDerWaalsContact N-O 3.07Å; E67-T78 PolarHBondContact OE1-OG1 2.82Å; E67-T78 VanDerWaalsContact OE1-OG1 3.05Å; E67-T78 PolarHBondContact OE2-N 2.86Å; E67-T78 PolarHBondContact OE2-OG1 2.89Å
68	N	78.8	Confident	74.7	Confident	96 Å²	96	63.5 Å²	63.5	51%	0.513	35%	0.351	S	S	.	.			trans	-114.9	127.2	173.1	-70.6	-52.6	0	0	0	110.6	F66 T77	F66-N68 WeakPolarHBondContact CB-O 3.15Å; N68-T77 PolarHBondContact N-OG1 3.23Å; N68-T77 PolarHBondContact O-OG1 3.12Å
69	K	79.1	Confident	75.7	Confident	120 Å²	120	61.3 Å²	61.3	52%	0.522	34%	0.338	S	S	.	.	S	Bend	trans	-86.2	-14.5	177.9	-64.9	-172.9	-179.7	-176.4	0	114.3	R50 L51	R50-K69 WeakPolarHBondContact CA-O 3.19Å; L51-K69 PolarHBondContact N-O 2.78Å
70	V	82.7	Confident	76	Confident	74 Å²	74	60.7 Å²	60.7	45%	0.448	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	132.6	174.7	-176.9	0	0	0	0	108	A48 V49 R50	A48-V70 HydrophobicContact CB-CG1 4.31Å; V49-V70 WeakPolarHBondContact O-CA 3.12Å; R50-V70 HydrophobicContact CB-CG2 4.36Å; R50-V70 HydrophobicContact CG-CG2 4.34Å
71	L	81.7	Confident	76.2	Confident	7 Å²	7	58.9 Å²	58.9	4%	0.037	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	114.8	177.4	-67.2	-179	0	0	0	109.3	V41 N43 A48 V49 L51 T77	V41-L71 HydrophobicContact CG1-CD1 4.07Å; N43-L71 HydrophobicContact CB-CB 3.65Å; N43-L71 HydrophobicContact CB-CD1 3.96Å; N43-L71 HydrophobicContact CB-CG 4.46Å; N43-L71 PolarHBondContact ND2-O 3.35Å; A48-L71 CarbonylContact C-O 3.55Å; A48-L71 VanDerWaalsContact CA-O 3.29Å; A48-L71 WeakPolarHBondContact CA-O 2.76Å; V49-L71 PolarHBondContact N-O 3.01Å; V49-L71 PolarHBondContact O-N 3.13Å; L51-L71 HydrophobicContact CD1-CD1 4.18Å; L51-L71 HydrophobicContact CD1-CG 4.41Å; L51-L71 HydrophobicContact CD2-CD1 4.45Å; L71-T77 HydrophobicContact CD1-CG2 4.21Å; L71-T77 HydrophobicContact CD2-CG2 3.9Å; L71-T77 HydrophobicContact CG-CG2 4.33Å
72	E	85.6	Confident	76.4	Confident	116 Å²	116	59.4 Å²	59.4	54%	0.542	33%	0.328	S	S	.	.			trans	-62.7	165.1	167.9	-66.8	-48.1	128.1	0	0	112	N43 G74 G75	N43-E72 PolarHBondContact ND2-O 2.6Å; N43-E72 VanDerWaalsContact ND2-O 3.1Å; E72-G74 PolarHBondContact O-N 2.74Å; E72-G75 WeakPolarHBondContact O-CA 3.4Å; E72-G75 PolarHBondContact O-N 3.05Å
73	P	84.3	Confident	76.5	Confident	68 Å²	68	54.6 Å²	54.6	44%	0.442	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	128.1	177	-26.7	35.4	0	0	0	111.9	T45 G75	T45-P73 WeakPolarHBondContact O-CA 3.25Å; T45-P73 WeakPolarHBondContact O-CB 3.41Å; P73-G75 PolarHBondContact O-N 3.28Å
74	G	80.6	Confident	76.6	Confident	49 Å²	49	53 Å²	53	51%	0.505	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.2	-5.3	-175.5	0	0	0	0	0	115.5	H42 N43 E72	H42-G74 PolarHBondContact CE1-O 2.84Å; H42-G74 PolarHBondContact ND1-O 3.2Å; N43-G74 WeakPolarHBondContact O-CA 3.29Å; N43-G74 PolarHBondContact O-N 2.79Å; E72-G74 PolarHBondContact O-N 2.74Å
75	G	81.8	Confident	76.2	Confident	23 Å²	23	50.8 Å²	50.8	24%	0.237	28%	0.279	C	S	.	.			trans	-65.2	168	-177.8	0	0	0	0	0	114.1	H42 N43 E72 P73	H42-G75 WeakPolarHBondContact CA-O 3.23Å; H42-G75 PolarHBondContact ND1-O 3.07Å; N43-G75 PolarHBondContact N-O 2.83Å; E72-G75 WeakPolarHBondContact O-CA 3.4Å; E72-G75 PolarHBondContact O-N 3.05Å; P73-G75 PolarHBondContact O-N 3.28Å
76	S	81.4	Confident	75.5	Confident	43 Å²	43	43.1 Å²	43.1	30%	0.301	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	144.7	170.4	71.8	0	0	0	0	112.9	R40 V41	R40-S76 PolarHBondContact NE-OG 2.89Å; R40-S76 VanDerWaalsContact NE-OG 3.13Å; R40-S76 PolarHBondContact NH2-OG 2.95Å; V41-S76 CarbonylContact O-C 3.49Å; V41-S76 WeakPolarHBondContact O-CA 3.48Å; V41-S76 VanDerWaalsContact O-CB 3.25Å; V41-S76 WeakPolarHBondContact O-CB 3.25Å
77	T	80.5	Confident	74.7	Confident	2 Å²	2	46.7 Å²	46.7	1%	0.012	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	168.2	171.8	-172.5	0	0	0	0	109.1	V41 L51 F66 N68 L71	V41-T77 HydrophobicContact CB-CG2 3.97Å; V41-T77 PolarHBondContact N-O 3Å; V41-T77 PolarHBondContact O-N 3.21Å; V41-T77 VanDerWaalsContact O-O 3.11Å; L51-T77 HydrophobicContact CD1-CG2 3.64Å; F66-T77 HydrophobicContact CB-CG2 4.47Å; F66-T77 HydrophobicContact CD1-CG2 4.28Å; N68-T77 PolarHBondContact N-OG1 3.23Å; N68-T77 PolarHBondContact O-OG1 3.12Å; L71-T77 HydrophobicContact CD1-CG2 4.21Å; L71-T77 HydrophobicContact CD2-CG2 3.9Å; L71-T77 HydrophobicContact CG-CG2 4.33Å
78	T	78.7	Confident	73.4	Confident	21 Å²	21	47.7 Å²	47.7	13%	0.129	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	164.6	166.1	66.5	0	0	0	0	112.6	K38 V39 R40 E67	K38-T78 WeakPolarHBondContact CE-OG1 3.36Å; K38-T78 HydrophobicContact CG-CG2 4.41Å; V39-T78 CarbonylContact O-C 3.44Å; V39-T78 WeakPolarHBondContact O-CA 3.36Å; V39-T78 WeakPolarHBondContact O-CB 3.41Å; R40-T78 HydrophobicContact CB-CG2 3.99Å; R40-T78 HydrophobicContact CG-CG2 3.97Å; E67-T78 PolarHBondContact N-O 2.86Å; E67-T78 VanDerWaalsContact N-O 3.07Å; E67-T78 PolarHBondContact OE1-OG1 2.82Å; E67-T78 VanDerWaalsContact OE1-OG1 3.05Å; E67-T78 PolarHBondContact OE2-N 2.86Å; E67-T78 PolarHBondContact OE2-OG1 2.89Å
79	F	75.3	Confident	71.8	Confident	3 Å²	3	49.1 Å²	49.1	1%	0.013	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	157.9	166.7	69.3	-83.8	0	0	0	108.4	L20 V39 V41 I54 C63 F66 V81	L20-F79 HydrophobicContact CD1-CE1 4.5Å; V39-F79 HydrophobicContact CB-CD1 4.1Å; V39-F79 HydrophobicContact CB-CE1 3.79Å; V39-F79 HydrophobicContact CB-CE2 4.23Å; V39-F79 HydrophobicContact CB-CG 4.46Å; V39-F79 HydrophobicContact CB-CZ 3.87Å; V39-F79 HydrophobicContact CG1-CD1 4.16Å; V39-F79 HydrophobicContact CG1-CE1 3.45Å; V39-F79 VanDerWaalsContact CG1-CE1 3.45Å; V39-F79 HydrophobicContact CG1-CZ 3.67Å; V39-F79 HydrophobicContact CG2-CE2 4.4Å; V39-F79 HydrophobicContact CG2-CZ 4.28Å; V39-F79 PolarHBondContact N-O 2.83Å; V39-F79 PolarHBondContact O-N 2.87Å; V41-F79 HydrophobicContact CG2-CD1 3.83Å; V41-F79 HydrophobicContact CG2-CE1 3.55Å; I54-F79 HydrophobicContact CD1-CB 4.16Å; I54-F79 HydrophobicContact CD1-CD1 4.35Å; I54-F79 HydrophobicContact CD1-CD2 3.63Å; I54-F79 HydrophobicContact CD1-CE2 3.99Å; I54-F79 HydrophobicContact CD1-CG 3.82Å; I54-F79 HydrophobicContact CG2-CE2 4.2Å; C63-F79 HydrophobicContact CB-CD2 4.31Å; C63-F79 HydrophobicContact CB-CE2 4.42Å; F66-F79 HydrophobicContact CD1-CB 4.11Å; F66-F79 AromaticContact CD1-CD1 3.78Å; F66-F79 HydrophobicContact CD1-CD1 3.78Å; F66-F79 HydrophobicContact CD1-CG 4.19Å; F66-F79 AromaticContact CE1-CD1 3.74Å; F66-F79 HydrophobicContact CE1-CD1 3.74Å; F66-F79 HydrophobicContact CE1-CE1 4.05Å; F66-F79 HydrophobicContact CE1-CG 4.34Å; F79-V81 HydrophobicContact CD2-CG2 3.89Å; F79-V81 HydrophobicContact CE2-CG2 3.41Å; F79-V81 VanDerWaalsContact CE2-CG2 3.41Å; F79-V81 HydrophobicContact CZ-CG2 4.33Å
80	E	69.7	Low	69.9	Low	80 Å²	80	49.5 Å²	49.5	37%	0.374	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	144.4	178	-64.9	-168.1	-174.7	0	0	111.6	K38 C63 S64	K38-E80 HydrophobicContact CB-CG 4.26Å; K38-E80 HydrophobicContact CD-CG 4.2Å; K38-E80 HydrophobicContact CG-CG 4.11Å; C63-E80 CarbonylContact C-O 3.52Å; C63-E80 VanDerWaalsContact CA-O 3.31Å; C63-E80 WeakPolarHBondContact CA-O 3.31Å; S64-E80 PolarHBondContact N-O 2.78Å; S64-E80 PolarHBondContact OG-N 3.17Å
81	V	66.1	Low	67.8	Low	1 Å²	1	48 Å²	48	1%	0.006	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	115.8	175.1	179.4	0	0	0	0	108.2	F6 L24 S36 A37 V39 F61 H62 F79	F6-V81 HydrophobicContact CZ-CG1 3.92Å; L24-V81 HydrophobicContact CD1-CG1 4.48Å; S36-V81 CarbonylContact C-O 3.58Å; S36-V81 WeakPolarHBondContact CA-O 3.42Å; A37-V81 PolarHBondContact N-O 3.14Å; A37-V81 PolarHBondContact O-N 3.16Å; V39-V81 HydrophobicContact CG2-CB 4.39Å; V39-V81 HydrophobicContact CG2-CG2 3.66Å; F61-V81 HydrophobicContact CD1-CG1 3.71Å; F61-V81 HydrophobicContact CE1-CG1 4.47Å; H62-V81 CarbonylContact O-C 3.58Å; H62-V81 WeakPolarHBondContact O-CA 3.32Å; F79-V81 HydrophobicContact CD2-CG2 3.89Å; F79-V81 HydrophobicContact CE2-CG2 3.41Å; F79-V81 VanDerWaalsContact CE2-CG2 3.41Å; F79-V81 HydrophobicContact CZ-CG2 4.33Å
82	A	67.9	Low	65.4	Low	31 Å²	31	54.1 Å²	54.1	26%	0.256	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	124.3	174	0	0	0	0	0	110.3	K35 F61 H62	K35-A82 WeakPolarHBondContact O-CA 3.5Å; F61-A82 WeakPolarHBondContact CA-O 3.25Å; H62-A82 PolarHBondContact N-O 2.77Å; H62-A82 PolarHBondContact O-N 3.25Å
83	F	68.4	Low	63	Low	3 Å²	3	50.7 Å²	50.7	1%	0.013	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	132.8	168.3	178	-100	0	0	0	110.4	M27 I29 A34 K35 H60 F61	M27-F83 HydrophobicContact CE-CB 3.76Å; I29-F83 HydrophobicContact CB-CD1 4.36Å; I29-F83 HydrophobicContact CB-CE1 4.46Å; I29-F83 HydrophobicContact CD1-CB 4.3Å; I29-F83 HydrophobicContact CD1-CD1 3.47Å; I29-F83 VanDerWaalsContact CD1-CD1 3.47Å; I29-F83 HydrophobicContact CD1-CE1 4.2Å; I29-F83 HydrophobicContact CD1-CG 4.27Å; A34-F83 VanDerWaalsContact CA-O 3.26Å; A34-F83 WeakPolarHBondContact CA-O 3.24Å; K35-F83 PolarHBondContact N-O 3.38Å; K35-F83 PolarHBondContact O-N 3.31Å; H60-F83 HydrophobicContact CB-CD2 4.01Å; H60-F83 HydrophobicContact CB-CE2 3.66Å; H60-F83 HydrophobicContact CB-CZ 4.46Å; H60-F83 CarbonylContact O-C 3.53Å; H60-F83 VanDerWaalsContact O-CA 3.31Å; H60-F83 WeakPolarHBondContact O-CA 3.31Å; H60-F83 WeakPolarHBondContact O-CD2 3.47Å; F61-F83 HydrophobicContact CD1-CB 4.04Å; F61-F83 AromaticContact CD1-CD2 3.91Å; F61-F83 HydrophobicContact CD1-CD2 3.91Å; F61-F83 HydrophobicContact CD1-CG 4.48Å; F61-F83 AromaticContact CD2-CD2 3.73Å; F61-F83 HydrophobicContact CD2-CD2 3.73Å; F61-F83 HydrophobicContact CD2-CE2 4.18Å; F61-F83 HydrophobicContact CE1-CB 3.93Å; F61-F83 AromaticContact CE1-CD2 3.6Å; F61-F83 HydrophobicContact CE1-CD2 3.6Å; F61-F83 HydrophobicContact CE1-CG 4.17Å; F61-F83 AromaticContact CE2-CD2 3.42Å; F61-F83 HydrophobicContact CE2-CD2 3.42Å; F61-F83 VanDerWaalsContact CE2-CD2 3.42Å; F61-F83 AromaticContact CE2-CE2 3.65Å; F61-F83 HydrophobicContact CE2-CE2 3.65Å; F61-F83 HydrophobicContact CG-CD2 4Å; F61-F83 AromaticContact CZ-CD2 3.36Å; F61-F83 HydrophobicContact CZ-CD2 3.36Å; F61-F83 AromaticContact CZ-CE2 3.85Å; F61-F83 HydrophobicContact CZ-CE2 3.85Å; F61-F83 HydrophobicContact CZ-CG 4.27Å
84	L	67.3	Low	60.3	Low	16 Å²	16	52 Å²	52	8%	0.084	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	98.5	172.2	-178.1	57.2	0	0	0	109.1	I33 A34 H60 F86 L207	I33-L84 WeakPolarHBondContact O-CD1 3.44Å; A34-L84 HydrophobicContact CB-CB 4.2Å; A34-L84 HydrophobicContact CB-CD1 4.05Å; H60-L84 PolarHBondContact O-N 2.96Å; L84-F86 HydrophobicContact CB-CE1 4.18Å; L84-F86 HydrophobicContact CD2-CE1 3.71Å; L84-F86 HydrophobicContact CG-CD1 4.09Å; L84-F86 HydrophobicContact CG-CE1 3.59Å; L84-F86 WeakPolarHBondContact O-CD1 3.48Å; L84-F86 WeakPolarHBondContact O-CE1 3.16Å; L84-F86 PolarHBondContact O-N 3.34Å; L84-L207 HydrophobicContact CD1-CB 4.35Å; L84-L207 HydrophobicContact CD2-CB 4.32Å; L84-L207 HydrophobicContact CD2-CD1 4.44Å
85	G	61.7	Low	57.7	Low	4 Å²	4	59.3 Å²	59.3	4%	0.041	32%	0.323	C	S	.	.			trans	-69.8	125.1	-180	0	0	0	0	0	111.9	I31 G32	I31-G85 WeakPolarHBondContact CA-O 3.26Å; G32-G85 PolarHBondContact N-O 3.32Å
86	F	59.5	Low	55.1	Low	16 Å²	16	67.2 Å²	67.2	7%	0.07	35%	0.351	C	S	.	.			trans	-99.9	-19.1	-178.8	-59.2	-27.5	0	0	0	114	V59 H60 L84 L115 P209	V59-F86 HydrophobicContact CB-CE2 4.29Å; V59-F86 HydrophobicContact CG2-CD2 4.1Å; V59-F86 HydrophobicContact CG2-CE2 4.04Å; H60-F86 AromaticContact CE1-CD2 3.58Å; H60-F86 AromaticContact CE1-CG 3.9Å; H60-F86 AromaticContact ND1-CD2 3.24Å; H60-F86 WeakPolarHBondContact ND1-CD2 3.13Å; H60-F86 AromaticContact ND1-CE2 3.9Å; H60-F86 AromaticContact ND1-CG 3.52Å; L84-F86 HydrophobicContact CB-CE1 4.18Å; L84-F86 HydrophobicContact CD2-CE1 3.71Å; L84-F86 HydrophobicContact CG-CD1 4.09Å; L84-F86 HydrophobicContact CG-CE1 3.59Å; L84-F86 WeakPolarHBondContact O-CD1 3.48Å; L84-F86 WeakPolarHBondContact O-CE1 3.16Å; L84-F86 PolarHBondContact O-N 3.34Å; F86-L115 HydrophobicContact CB-CD1 3.78Å; F86-L115 WeakPolarHBondContact O-CD1 3.47Å; F86-P209 HydrophobicContact CD1-CB 3.85Å; F86-P209 HydrophobicContact CD1-CG 3.64Å; F86-P209 HydrophobicContact CE1-CB 3.61Å; F86-P209 HydrophobicContact CE1-CG 3.91Å; F86-P209 HydrophobicContact CG-CG 4.47Å; F86-P209 HydrophobicContact CZ-CB 4.35Å
87	H	57.7	Low	52.7	Low	93 Å²	93	73.7 Å²	73.7	43%	0.431	38%	0.376	S	S	.	.	S	Bend	trans	-130.1	153.5	-174.5	-67.3	-20.8	0	0	0	111.7	E89 L115	H87-E89 PolarHBondContact O-N 2.68Å; H87-L115 VanDerWaalsContact CE1-CD1 3.43Å; H87-L115 WeakPolarHBondContact CE1-CD1 3.36Å
88	Q	51.8	Low	50.3	Low	135 Å²	135	75.5 Å²	75.5	63%	0.631	39%	0.389	S	S	*	.	S	Bend	trans	-90	45.2	178.5	-155	174	-10.1	0	0	111.5	I31 G104	I31-Q88 HydrophobicContact CD1-CB 3.51Å; I31-Q88 HydrophobicContact CD1-CG 3.87Å; Q88-G104 WeakPolarHBondContact CG-O 3.33Å
89	E	46.3	Very low	48.3	Very low	127 Å²	127	79.2 Å²	79.2	59%	0.593	41%	0.408	S	S	*	.	S	Bend	trans	-122.2	146.9	-179.2	-66.6	174.4	-171	0	0	107.3	H87 A91	H87-E89 PolarHBondContact O-N 2.68Å; E89-A91 PolarHBondContact O-N 3.07Å
90	H	38.5	Very low	46.7	Very low	127 Å²	127	80.1 Å²	80.1	59%	0.588	41%	0.414	S	S	*	.	B	Isolated β-bridge	trans	-64.5	123.7	169.1	-76.1	79.5	0	0	0	107.4	I92 D103	H90-I92 HydrophobicContact CB-CD1 4.1Å; H90-I92 HydrophobicContact CB-CG1 3.54Å; H90-I92 PolarHBondContact O-N 2.83Å; H90-D103 IonicContact CD2-OD1 3.57Å; H90-D103 PolarHBondContact CD2-OD1 3.41Å; H90-D103 IonicContact CG-OD1 3.28Å; H90-D103 IonicContact NE2-OD1 2.79Å
91	A	38.2	Very low	45.3	Very low	42 Å²	42	77.6 Å²	77.6	35%	0.347	41%	0.409	S	S	.	.			trans	-75.6	66.9	170.7	0	0	0	0	0	109.6	E89 P93	E89-A91 PolarHBondContact O-N 3.07Å; A91-P93 VanDerWaalsContact O-CD 3.23Å; A91-P93 WeakPolarHBondContact O-CD 3.17Å
92	I	32.3	Very low	43.9	Very low	137 Å²	137	77.8 Å²	77.8	70%	0.703	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-70	116.4	-178.4	-52.8	178.7	0	0	0	108.9	H90 A94	H90-I92 HydrophobicContact CB-CD1 4.1Å; H90-I92 HydrophobicContact CB-CG1 3.54Å; H90-I92 PolarHBondContact O-N 2.83Å; I92-A94 PolarHBondContact O-N 2.93Å
93	P	35.1	Very low	42.6	Very low	43 Å²	43	78.3 Å²	78.3	28%	0.279	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-69.4	130.1	168.8	-14.7	32.1	0	0	0	108.7	A91 N99 V100	A91-P93 VanDerWaalsContact O-CD 3.23Å; A91-P93 WeakPolarHBondContact O-CD 3.17Å; P93-N99 HydrophobicContact CG-CB 4.44Å; P93-V100 WeakPolarHBondContact CG-O 3.43Å
94	A	27.6	Very low	41.5	Very low	95 Å²	95	78.8 Å²	78.8	79%	0.785	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-62.9	145.1	175.5	0	0	0	0	0	110.9	I92 F96	I92-A94 PolarHBondContact O-N 2.93Å; A94-F96 PolarHBondContact O-N 3.02Å; A94-F96 VanDerWaalsContact O-N 3.1Å
95	F	25.9	Very low	40.6	Very low	204 Å²	204	80.9 Å²	80.9	90%	0.895	43%	0.429	S	S	*	.	S	Bend	trans	-34.8	108.7	-179.1	-70.7	-103.2	0	0	0	114.6
96	F	28.3	Very low	40.4	Very low	189 Å²	189	84.3 Å²	84.3	83%	0.829	45%	0.452	S	S	*	.	S	Bend		-165.9	175.1	123.6	-98.5	-66.2	0	0	0	108.5	A94 S98	A94-F96 PolarHBondContact O-N 3.02Å; A94-F96 VanDerWaalsContact O-N 3.1Å; F96-S98 PolarHBondContact O-N 3.18Å
97	H	29.8	Very low	40.7	Very low	178 Å²	178	83.9 Å²	83.9	82%	0.824	45%	0.451	S	S	*	.	S	Bend	trans	-58.9	128.9	-163.5	-88.5	77.7	0	0	0	114.8
98	S	29.6	Very low	41.4	Very low	40 Å²	40	82.1 Å²	82.1	28%	0.28	45%	0.448	S	S	.	.			trans	83.9	123.4	169.6	79.4	0	0	0	0	117	V21 F96	V21-S98 VanDerWaalsContact CG1-CB 3.45Å; V21-S98 VanDerWaalsContact CG1-OG 3.28Å; V21-S98 WeakPolarHBondContact CG1-OG 3.34Å; V21-S98 WeakPolarHBondContact CG2-OG 3.24Å; F96-S98 PolarHBondContact O-N 3.18Å
99	N	38.4	Very low	42.7	Very low	99 Å²	99	76.2 Å²	76.2	53%	0.529	42%	0.42	S	S	.	.			trans	-115.6	139.1	-160.3	-53.9	7.5	0	0	0	111.7	P93	P93-N99 HydrophobicContact CG-CB 4.44Å
100	V	40.6	Very low	44.2	Very low	23 Å²	23	76 Å²	76	14%	0.139	41%	0.414	C	S	.	.			trans	-110.7	129.2	152.4	-162	0	0	0	0	106.8	F6 C22 L24 F61 P93	F6-V100 HydrophobicContact CD2-CG2 4.24Å; F6-V100 HydrophobicContact CE2-CG1 4.31Å; F6-V100 HydrophobicContact CE2-CG2 4.37Å; C22-V100 HydrophobicContact CB-CG2 4.4Å; C22-V100 WeakPolarHBondContact O-CG2 3.4Å; L24-V100 HydrophobicContact CB-CG1 4.4Å; L24-V100 HydrophobicContact CD1-CG1 4.08Å; L24-V100 HydrophobicContact CG-CG1 4.4Å; F61-V100 HydrophobicContact CE1-CG1 3.99Å; F61-V100 HydrophobicContact CZ-CG1 3.88Å; P93-V100 WeakPolarHBondContact CG-O 3.43Å
101	G	39.4	Very low	46.2	Very low	26 Å²	26	70.5 Å²	70.5	27%	0.268	39%	0.388	S	S	.	.			trans	-156.1	161.1	-178.3	0	0	0	0	0	112
102	G	37.8	Very low	47.9	Very low	6 Å²	6	73.9 Å²	73.9	6%	0.062	40%	0.397	C	S	.	.			trans	-153.8	138.6	177.3	0	0	0	0	0	110.8	M27	M27-G102 VanDerWaalsContact O-CA 3.32Å; M27-G102 WeakPolarHBondContact O-CA 3.5Å
103	D	41.2	Very low	50	Low	41 Å²	41	68.9 Å²	68.9	22%	0.219	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	123.1	178.7	-59.5	-22.3	0	0	0	109.2	M27 R28 I29 H90 V105	M27-D103 PolarHBondContact O-N 3.15Å; R28-D103 HydrophobicContact CG-CB 4.13Å; R28-D103 IonicContact CZ-OD2 2.8Å; R28-D103 IonicContact NE-OD2 3.89Å; R28-D103 PolarHBondContact NE-OD2 3.42Å; R28-D103 IonicContact NH2-OD2 2.72Å; R28-D103 PolarHBondContact NH2-OD2 2.71Å; R28-D103 VanDerWaalsContact NH2-OD2 3.17Å; I29-D103 PolarHBondContact N-O 3.08Å; I29-D103 VanDerWaalsContact N-O 3.15Å; I29-D103 VanDerWaalsContact O-O 3.12Å; H90-D103 IonicContact CD2-OD1 3.57Å; H90-D103 PolarHBondContact CD2-OD1 3.41Å; H90-D103 IonicContact CG-OD1 3.28Å; H90-D103 IonicContact NE2-OD1 2.79Å; D103-V105 HydrophobicContact CB-CG2 4.49Å; D103-V105 PolarHBondContact O-N 2.87Å; D103-V105 VanDerWaalsContact O-N 3.08Å
104	G	44.4	Very low	52	Low	13 Å²	13	67 Å²	67	13%	0.134	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	92.2	170.2	0	0	0	0	0	111.2	Q88	Q88-G104 WeakPolarHBondContact CG-O 3.33Å
105	V	48.9	Very low	54.2	Low	61 Å²	61	63.8 Å²	63.8	37%	0.37	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	151.9	178.9	-173.6	0	0	0	0	110.3	R28 I29 S30 I31 D103 N107	R28-V105 HydrophobicContact CB-CG2 4.11Å; I29-V105 PolarHBondContact O-N 3.18Å; S30-V105 WeakPolarHBondContact CA-O 3.45Å; I31-V105 PolarHBondContact N-O 3.44Å; I31-V105 VanDerWaalsContact N-O 3.1Å; D103-V105 HydrophobicContact CB-CG2 4.49Å; D103-V105 PolarHBondContact O-N 2.87Å; D103-V105 VanDerWaalsContact O-N 3.08Å; V105-N107 PolarHBondContact O-N 3.36Å
106	S	57.5	Low	56.1	Low	75 Å²	75	55 Å²	55	52%	0.524	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-56.1	126	172.2	-174.7	0	0	0	0	110.8
107	N	64.8	Low	58.4	Low	7 Å²	7	46.8 Å²	46.8	4%	0.037	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-69.5	124.5	-178.9	-174.9	-43.2	0	0	0	110.5	I31 V105 Y109 R110	I31-N107 WeakPolarHBondContact O-CB 3.21Å; I31-N107 PolarHBondContact O-ND2 3.31Å; V105-N107 PolarHBondContact O-N 3.36Å; N107-Y109 PolarHBondContact O-N 3.07Å; N107-Y109 WeakPolarHBondContact OD1-CA 3.47Å; N107-Y109 WeakPolarHBondContact OD1-CB 3.39Å; N107-Y109 WeakPolarHBondContact OD1-CD2 3.28Å; N107-Y109 PolarHBondContact OD1-N 2.96Å; N107-R110 WeakPolarHBondContact O-CA 3.46Å; N107-R110 PolarHBondContact O-N 2.93Å
108	P	73.3	Confident	60.7	Low	56 Å²	56	44.2 Å²	44.2	36%	0.364	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-24.3	-177.5	28.2	-36.4	0	0	0	112.7	S30 R110 Y132 P134	S30-P108 WeakPolarHBondContact OG-CD 3.24Å; P108-R110 VanDerWaalsContact C-N 3.28Å; P108-Y132 WeakPolarHBondContact O-CD1 3.41Å; P108-P134 HydrophobicContact CB-CB 4.29Å; P108-P134 HydrophobicContact CB-CG 4.23Å
109	Y	79.7	Confident	63.2	Low	11 Å²	11	42.7 Å²	42.7	4%	0.043	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	1.4	172.4	-50.8	-75.4	0	0	0	113.4	I33 N107 L111 M131 Y132 P134 Y135 L139 L206	I33-Y109 HydrophobicContact CD1-CE2 4.48Å; N107-Y109 PolarHBondContact O-N 3.07Å; N107-Y109 WeakPolarHBondContact OD1-CA 3.47Å; N107-Y109 WeakPolarHBondContact OD1-CB 3.39Å; N107-Y109 WeakPolarHBondContact OD1-CD2 3.28Å; N107-Y109 PolarHBondContact OD1-N 2.96Å; Y109-L111 PolarHBondContact O-N 2.8Å; Y109-M131 HydrophobicContact CD1-CE 3.47Å; Y109-M131 VanDerWaalsContact CD1-CE 3.47Å; Y109-M131 HydrophobicContact CE1-CE 4.08Å; Y109-M131 HydrophobicContact CG-CE 3.77Å; Y109-Y132 WeakPolarHBondContact CA-O 3.3Å; Y109-Y132 PolarHBondContact O-N 3.5Å; Y109-P134 HydrophobicContact CD1-CG 4.04Å; Y109-P134 HydrophobicContact CE1-CG 3.95Å; Y109-Y135 AromaticContact CE1-CE2 3.86Å; Y109-Y135 HydrophobicContact CE1-CE2 3.86Å; Y109-Y135 PolarHBondContact OH-OH 3.31Å; Y109-L139 HydrophobicContact CD1-CD2 3.96Å; Y109-L139 HydrophobicContact CE1-CD2 3.72Å; Y109-L206 HydrophobicContact CD1-CD1 4.49Å; Y109-L206 HydrophobicContact CD2-CD1 3.57Å; Y109-L206 HydrophobicContact CD2-CD2 3.83Å; Y109-L206 HydrophobicContact CD2-CG 4.38Å; Y109-L206 HydrophobicContact CE2-CD1 3.82Å; Y109-L206 HydrophobicContact CE2-CD2 3.62Å; Y109-L206 HydrophobicContact CE2-CG 4.37Å; Y109-L206 HydrophobicContact CG-CD1 3.94Å
110	R	77.8	Confident	65.4	Low	123 Å²	123	38.8 Å²	38.8	46%	0.464	21%	0.214	S	C	.	.			trans	55.1	21.3	179.3	-51.1	-175.8	-168	-157.2	1.1	114.9	N107 P108 Y132 E315	N107-R110 WeakPolarHBondContact O-CA 3.46Å; N107-R110 PolarHBondContact O-N 2.93Å; P108-R110 VanDerWaalsContact C-N 3.28Å; R110-Y132 HydrophobicContact CG-CD1 4.12Å; R110-Y132 HydrophobicContact CG-CG 4.05Å; R110-E315 IonicContact NH2-OE2 2.62Å
111	L	79.3	Confident	67.6	Low	11 Å²	11	40.8 Å²	40.8	6%	0.058	22%	0.224	C	C	.	.			trans	-60.2	138.3	175.4	-61.2	-178.8	0	0	0	110.4	Y109 E130 M131 L206 I208	Y109-L111 PolarHBondContact O-N 2.8Å; L111-E130 WeakPolarHBondContact CD2-O 3.45Å; L111-M131 HydrophobicContact CD2-CB 3.78Å; L111-M131 HydrophobicContact CD2-CG 3.82Å; L111-L206 HydrophobicContact CD1-CB 3.84Å; L111-L206 HydrophobicContact CD1-CD1 3.89Å; L111-L206 HydrophobicContact CD1-CG 4.45Å; L111-I208 HydrophobicContact CB-CD1 4.45Å; L111-I208 HydrophobicContact CB-CG1 4.36Å; L111-I208 HydrophobicContact CD1-CD1 4.32Å; L111-I208 HydrophobicContact CD1-CG1 4.07Å; L111-I208 HydrophobicContact CD2-CD1 4.11Å
112	Q	75.3	Confident	69.7	Low	113 Å²	113	46 Å²	46	53%	0.528	25%	0.246	S	C	.	.			trans	-115.5	131.4	-178.8	-64.5	-170.1	-28.3	0	0	111.7	F114 I208	Q112-F114 WeakPolarHBondContact O-CD2 3.46Å; Q112-I208 VanDerWaalsContact O-CG2 3.3Å; Q112-I208 WeakPolarHBondContact O-CG2 3.46Å
113	P	76.4	Confident	71.7	Confident	32 Å²	32	46.4 Å²	46.4	21%	0.208	25%	0.249	C	C	.	.			trans	-76.9	158.8	-179.7	35.6	-38.8	0	0	0	112.3	I31 L115 R127 P209	I31-P113 HydrophobicContact CG2-CG 4.13Å; P113-L115 HydrophobicContact CB-CD1 3.79Å; P113-L115 HydrophobicContact CB-CD2 4.34Å; P113-L115 HydrophobicContact CB-CG 3.81Å; P113-L115 HydrophobicContact CG-CD1 3.75Å; P113-L115 HydrophobicContact CG-CG 4.19Å; P113-R127 PolarHBondContact O-NH1 3.13Å; P113-P209 HydrophobicContact CB-CG 3.58Å
114	F	76.9	Confident	73.8	Confident	4 Å²	4	45.5 Å²	45.5	2%	0.018	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	68	-173.3	-74.5	-135.7	0	0	0	110	Q112 R127 V129 A180 I208 P209 V210 E211	Q112-F114 WeakPolarHBondContact O-CD2 3.46Å; F114-R127 HydrophobicContact CD1-CB 4.38Å; F114-R127 HydrophobicContact CE1-CB 3.62Å; F114-R127 HydrophobicContact CE1-CG 4.09Å; F114-R127 HydrophobicContact CZ-CB 3.89Å; F114-R127 HydrophobicContact CZ-CG 3.91Å; F114-V129 HydrophobicContact CZ-CG2 4.33Å; F114-A180 HydrophobicContact CE1-CB 3.74Å; F114-A180 HydrophobicContact CZ-CB 3.86Å; F114-I208 HydrophobicContact CD2-CG2 3.83Å; F114-I208 HydrophobicContact CE2-CG2 4.07Å; F114-P209 PolarHBondContact N-O 3.22Å; F114-V210 HydrophobicContact CB-CB 4.24Å; F114-V210 HydrophobicContact CB-CG1 4.08Å; F114-V210 HydrophobicContact CB-CG2 4.06Å; F114-V210 HydrophobicContact CG-CG2 4.29Å; F114-E211 PolarHBondContact O-N 2.8Å
115	L	73.1	Confident	75.5	Confident	27 Å²	27	45.3 Å²	45.3	14%	0.141	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	139.1	-163.3	-55.6	171.2	0	0	0	114.5	F86 H87 P113 N117 P209 E211	F86-L115 HydrophobicContact CB-CD1 3.78Å; F86-L115 WeakPolarHBondContact O-CD1 3.47Å; H87-L115 VanDerWaalsContact CE1-CD1 3.43Å; H87-L115 WeakPolarHBondContact CE1-CD1 3.36Å; P113-L115 HydrophobicContact CB-CD1 3.79Å; P113-L115 HydrophobicContact CB-CD2 4.34Å; P113-L115 HydrophobicContact CB-CG 3.81Å; P113-L115 HydrophobicContact CG-CD1 3.75Å; P113-L115 HydrophobicContact CG-CG 4.19Å; L115-N117 VanDerWaalsContact C-N 3.29Å; L115-N117 PolarHBondContact O-N 2.95Å; L115-N117 PolarHBondContact O-ND2 2.85Å; L115-P209 HydrophobicContact CD2-CB 4.19Å; L115-P209 HydrophobicContact CD2-CG 4.07Å; L115-E211 HydrophobicContact CD2-CB 4.1Å; L115-E211 HydrophobicContact CD2-CG 3.8Å
116	G	66.8	Low	77.2	Confident	20 Å²	20	44.6 Å²	44.6	21%	0.206	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	66.8	24	165.9	0	0	0	0	0	115.4	E211 K225	G116-E211 PolarHBondContact N-O 2.83Å; G116-E211 VanDerWaalsContact N-O 3.07Å; G116-K225 WeakPolarHBondContact O-CD 3.32Å; G116-K225 WeakPolarHBondContact O-CE 3.42Å; G116-K225 PolarHBondContact O-NZ 3.43Å
117	N	74.5	Confident	78.4	Confident	16 Å²	16	45.1 Å²	45.1	9%	0.086	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	150.1	176.3	-55.3	-70	0	0	0	110.1	L115 L125 V212 E213	L115-N117 VanDerWaalsContact C-N 3.29Å; L115-N117 PolarHBondContact O-N 2.95Å; L115-N117 PolarHBondContact O-ND2 2.85Å; N117-L125 HydrophobicContact CB-CD2 3.68Å; N117-V212 WeakPolarHBondContact O-CA 3.28Å; N117-E213 PolarHBondContact O-N 3.31Å
118	R	78.3	Confident	79.4	Confident	125 Å²	125	49.4 Å²	49.4	47%	0.472	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	134.4	177.2	-77.8	179	170.4	-154	-13.1	110.2	E213 F221	R118-E213 WeakPolarHBondContact CA-O 3.05Å; R118-E213 HydrophobicContact CG-CB 4Å; R118-E213 HydrophobicContact CG-CG 4.1Å; R118-E213 WeakPolarHBondContact CG-OE2 3.47Å; R118-E213 IonicContact CZ-OE1 3.73Å; R118-E213 VanDerWaalsContact CZ-OE1 3.28Å; R118-E213 IonicContact CZ-OE2 3.99Å; R118-E213 VanDerWaalsContact CZ-OE2 3.3Å; R118-E213 IonicContact NE-OE1 3.43Å; R118-E213 PolarHBondContact NE-OE1 3.36Å; R118-E213 IonicContact NE-OE2 3.17Å; R118-E213 PolarHBondContact NE-OE2 3.24Å; R118-E213 IonicContact NH2-OE1 2.86Å; R118-E213 PolarHBondContact NH2-OE1 3Å; R118-E213 IonicContact NH2-OE2 2.74Å; R118-E213 PolarHBondContact NH2-OE2 2.77Å; R118-E213 VanDerWaalsContact NH2-OE2 3.07Å; R118-F221 HydrophobicContact CB-CD1 4.23Å; R118-F221 HydrophobicContact CB-CE1 4.49Å
119	I	83.2	Confident	80.1	Confident	8 Å²	8	46.9 Å²	46.9	4%	0.041	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	153.4	170.7	63.9	-179.8	0	0	0	110.7	L125 V182 V212 E213 V214 T215	I119-L125 HydrophobicContact CG2-CB 3.87Å; I119-V182 HydrophobicContact CD1-CG1 4.21Å; I119-V212 HydrophobicContact CD1-CG1 3.85Å; I119-V212 HydrophobicContact CG1-CG1 3.75Å; I119-V212 HydrophobicContact CG2-CG1 4.21Å; I119-E213 PolarHBondContact N-O 3.47Å; I119-V214 HydrophobicContact CD1-CG2 4.12Å; I119-V214 HydrophobicContact CG1-CB 4.44Å; I119-V214 HydrophobicContact CG1-CG1 4.37Å; I119-V214 HydrophobicContact CG1-CG2 3.94Å; I119-V214 WeakPolarHBondContact O-CA 3.4Å; I119-T215 PolarHBondContact O-N 2.89Å
120	S	84.9	Confident	80.5	Confident	17 Å²	17	50.1 Å²	50.1	12%	0.119	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	160.3	169	67.2	0	0	0	0	111.2	N122 G123 T215	S120-N122 PolarHBondContact O-N 3.49Å; S120-G123 WeakPolarHBondContact O-CA 3.31Å; S120-G123 PolarHBondContact O-N 3.12Å; S120-T215 CarbonylContact C-O 3.56Å; S120-T215 VanDerWaalsContact CA-O 3.31Å; S120-T215 WeakPolarHBondContact CA-O 3.45Å
121	L	85.7	Confident	81	Confident	65 Å²	65	44.2 Å²	44.2	34%	0.34	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51	137.6	160	-168.8	70.2	0	0	0	109.6	G123 G184 V187 T215	L121-G123 PolarHBondContact O-N 3.25Å; L121-G184 CarbonylContact C-O 3.57Å; L121-G184 WeakPolarHBondContact CA-O 3.49Å; L121-V187 HydrophobicContact CD1-CG2 4.08Å; L121-T215 PolarHBondContact N-O 3.14Å
122	N	83.8	Confident	81.3	Confident	135 Å²	135	44.9 Å²	44.9	72%	0.722	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.8	1.8	-171.2	-55.8	-42.5	0	0	0	116	S120 G184	S120-N122 PolarHBondContact O-N 3.49Å; N122-G184 PolarHBondContact N-O 3.04Å
123	G	80.2	Confident	81.9	Confident	14 Å²	14	39.5 Å²	39.5	14%	0.144	20%	0.2	C	C	.	.			trans	-74.3	165.5	170.2	0	0	0	0	0	112.1	S120 L121 G184	S120-G123 WeakPolarHBondContact O-CA 3.31Å; S120-G123 PolarHBondContact O-N 3.12Å; L121-G123 PolarHBondContact O-N 3.25Å; G123-G184 PolarHBondContact O-N 2.89Å
124	S	84.7	Confident	82	Confident	22 Å²	22	39.6 Å²	39.6	15%	0.154	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	134.8	170.7	72.3	0	0	0	0	113.3	R181 V182	S124-R181 PolarHBondContact OG-NE 2.88Å; S124-R181 VanDerWaalsContact OG-NE 3.15Å; S124-R181 PolarHBondContact OG-NH2 3.43Å; S124-V182 CarbonylContact C-O 3.57Å; S124-V182 WeakPolarHBondContact CA-O 3.4Å; S124-V182 VanDerWaalsContact CB-O 3.28Å; S124-V182 WeakPolarHBondContact CB-O 3.26Å
125	L	80.7	Confident	82.3	Confident	10 Å²	10	41.9 Å²	41.9	5%	0.052	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	134.9	172.5	173.5	63.8	0	0	0	109.2	N117 I119 R181 V182 V212 M223	N117-L125 HydrophobicContact CB-CD2 3.68Å; I119-L125 HydrophobicContact CG2-CB 3.87Å; L125-R181 CarbonylContact O-C 3.55Å; L125-R181 VanDerWaalsContact O-CA 3.25Å; L125-R181 WeakPolarHBondContact O-CA 3.33Å; L125-V182 PolarHBondContact N-O 2.86Å; L125-V182 PolarHBondContact O-N 2.93Å; L125-V212 HydrophobicContact CD2-CG2 4.09Å; L125-M223 HydrophobicContact CD1-CB 3.9Å; L125-M223 HydrophobicContact CD1-CG 4.06Å; L125-M223 VanDerWaalsContact CD1-O 3.26Å; L125-M223 WeakPolarHBondContact CD1-O 3.4Å
126	S	85.1	Confident	82.5	Confident	46 Å²	46	44.6 Å²	44.6	32%	0.322	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	132.7	176.4	56.7	0	0	0	0	112	A180	S126-A180 WeakPolarHBondContact CA-O 3.35Å
127	R	82	Confident	83.4	Confident	85 Å²	85	47.6 Å²	47.6	32%	0.321	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	141.8	178.8	175.7	-176.1	-177.3	-165	6.2	111.3	P113 F114 N179 A180	P113-R127 PolarHBondContact O-NH1 3.13Å; F114-R127 HydrophobicContact CD1-CB 4.38Å; F114-R127 HydrophobicContact CE1-CB 3.62Å; F114-R127 HydrophobicContact CE1-CG 4.09Å; F114-R127 HydrophobicContact CZ-CB 3.89Å; F114-R127 HydrophobicContact CZ-CG 3.91Å; R127-N179 PolarHBondContact N-OD1 2.71Å; R127-A180 PolarHBondContact N-O 2.86Å; R127-A180 PolarHBondContact O-N 3.11Å
128	W	85.8	Confident	84.1	Confident	98 Å²	98	50.9 Å²	50.9	37%	0.371	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	132.1	177.2	-71.6	101.1	0	0	0	112.8	E130 P156 R176 N179	W128-E130 HydrophobicContact CB-CG 4.35Å; W128-E130 PolarHBondContact O-N 3.48Å; W128-P156 HydrophobicContact CH2-CG 3.99Å; W128-P156 HydrophobicContact CZ3-CG 3.82Å; W128-R176 HydrophobicContact CB-CG 4.34Å; W128-R176 HydrophobicContact CD2-CG 4.31Å; W128-R176 HydrophobicContact CE3-CB 4Å; W128-R176 HydrophobicContact CE3-CG 4.21Å; W128-R176 HydrophobicContact CG-CG 4.37Å; W128-R176 HydrophobicContact CZ3-CB 4.47Å; W128-N179 HydrophobicContact CD2-CB 4.2Å; W128-N179 HydrophobicContact CE3-CB 3.98Å; W128-N179 HydrophobicContact CH2-CB 4Å; W128-N179 HydrophobicContact CZ2-CB 4.23Å; W128-N179 HydrophobicContact CZ3-CB 3.87Å
129	V	87.8	Confident	84.6	Confident	2 Å²	2	45 Å²	45	1%	0.012	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	105.3	162.8	-179.5	0	0	0	0	107.7	F114 M144 L177 A178 A180 I194 L196 I208	F114-V129 HydrophobicContact CZ-CG2 4.33Å; V129-M144 HydrophobicContact CB-CE 4.48Å; V129-M144 HydrophobicContact CG1-CE 3.87Å; V129-L177 HydrophobicContact CG1-CD1 4.5Å; V129-L177 PolarHBondContact O-N 2.93Å; V129-A178 PolarHBondContact N-O 3.04Å; V129-A180 HydrophobicContact CG2-CB 3.96Å; V129-I194 HydrophobicContact CG2-CD1 3.79Å; V129-L196 HydrophobicContact CG1-CD2 4.44Å; V129-I208 HydrophobicContact CG1-CD1 3.64Å; V129-I208 HydrophobicContact CG2-CD1 4.45Å
130	E	87.4	Confident	84.9	Confident	79 Å²	79	50.1 Å²	50.1	37%	0.369	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	132.2	174.9	-73.5	-172.9	-171.6	0	0	110.4	L111 W128 T174 K175 R176	L111-E130 WeakPolarHBondContact CD2-O 3.45Å; W128-E130 HydrophobicContact CB-CG 4.35Å; W128-E130 PolarHBondContact O-N 3.48Å; E130-T174 HydrophobicContact CB-CG2 3.92Å; E130-K175 WeakPolarHBondContact CA-O 3.33Å; E130-R176 HydrophobicContact CG-CG 3.61Å; E130-R176 IonicContact OE1-CZ 3.3Å; E130-R176 IonicContact OE1-NE 2.71Å; E130-R176 PolarHBondContact OE1-NE 3.01Å; E130-R176 IonicContact OE1-NH2 3.42Å; E130-R176 PolarHBondContact OE1-NH2 2.81Å
131	M	88.5	Confident	85.1	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	130.2	-178.9	-173.5	177.4	-177.3	0	0	110.5	Y109 L111 L139 V141 I169 T174 K175 L177 L196 T198 L206	Y109-M131 HydrophobicContact CD1-CE 3.47Å; Y109-M131 VanDerWaalsContact CD1-CE 3.47Å; Y109-M131 HydrophobicContact CE1-CE 4.08Å; Y109-M131 HydrophobicContact CG-CE 3.77Å; L111-M131 HydrophobicContact CD2-CB 3.78Å; L111-M131 HydrophobicContact CD2-CG 3.82Å; M131-L139 HydrophobicContact CE-CD2 3.83Å; M131-V141 HydrophobicContact SD-CG2 3.88Å; M131-I169 HydrophobicContact CB-CD1 3.82Å; M131-I169 HydrophobicContact CG-CD1 3.69Å; M131-I169 HydrophobicContact SD-CD1 3.64Å; M131-T174 CarbonylContact O-C 3.6Å; M131-T174 VanDerWaalsContact O-CA 3.32Å; M131-T174 WeakPolarHBondContact O-CA 3.32Å; M131-K175 PolarHBondContact N-O 2.74Å; M131-K175 PolarHBondContact O-N 3.11Å; M131-L177 HydrophobicContact CB-CD1 3.7Å; M131-L177 HydrophobicContact CB-CG 4.35Å; M131-L177 HydrophobicContact CG-CD1 4.48Å; M131-L177 HydrophobicContact SD-CD1 4Å; M131-L196 HydrophobicContact SD-CD2 4.01Å; M131-T198 HydrophobicContact CE-CG2 3.99Å; M131-L206 HydrophobicContact CE-CD1 3.49Å; M131-L206 VanDerWaalsContact CE-CD1 3.49Å
132	Y	85.5	Confident	85.2	Confident	24 Å²	24	50.5 Å²	50.5	9%	0.094	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	142.1	174.2	177	-97.6	0	0	0	110.8	P108 Y109 R110 P134 F172 R173	P108-Y132 WeakPolarHBondContact O-CD1 3.41Å; Y109-Y132 WeakPolarHBondContact CA-O 3.3Å; Y109-Y132 PolarHBondContact O-N 3.5Å; R110-Y132 HydrophobicContact CG-CD1 4.12Å; R110-Y132 HydrophobicContact CG-CG 4.05Å; Y132-P134 HydrophobicContact CD1-CB 4.36Å; Y132-P134 HydrophobicContact CE1-CB 4.15Å; Y132-P134 WeakPolarHBondContact O-CD 3.33Å; Y132-F172 VanDerWaalsContact CE2-C 3.49Å; Y132-F172 WeakPolarHBondContact CE2-O 3.21Å; Y132-R173 WeakPolarHBondContact CA-O 3.42Å
133	N	88.3	Confident	85.4	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.243	C	C	.	.			trans	-96.7	110.7	172	177	5	0	0	0	110.3	Y135 V137 L139 I169 P170 F172 R173	N133-Y135 PolarHBondContact O-N 3.3Å; N133-Y135 WeakPolarHBondContact OD1-CB 3.11Å; N133-Y135 WeakPolarHBondContact OD1-CD2 3.32Å; N133-Y135 PolarHBondContact OD1-N 3.47Å; N133-V137 PolarHBondContact ND2-O 3.18Å; N133-L139 HydrophobicContact CB-CB 4.18Å; N133-L139 HydrophobicContact CB-CD2 4.44Å; N133-L139 WeakPolarHBondContact ND2-CB 3.43Å; N133-L139 PolarHBondContact ND2-N 2.95Å; N133-I169 HydrophobicContact CB-CB 4.09Å; N133-I169 HydrophobicContact CB-CG2 3.59Å; N133-I169 PolarHBondContact ND2-O 3.39Å; N133-P170 WeakPolarHBondContact CB-O 3.49Å; N133-P170 PolarHBondContact ND2-O 2.89Å; N133-F172 WeakPolarHBondContact O-CA 3.34Å; N133-F172 PolarHBondContact O-N 2.93Å; N133-F172 VanDerWaalsContact O-N 3.07Å; N133-R173 PolarHBondContact N-O 3.1Å
134	P	79.9	Confident	85.8	Confident	35 Å²	35	48.3 Å²	48.3	23%	0.227	24%	0.244	C	C	.	.			trans	-80.6	5	179.6	34.7	-37.4	0	0	0	114.4	P108 Y109 Y132 F172	P108-P134 HydrophobicContact CB-CB 4.29Å; P108-P134 HydrophobicContact CB-CG 4.23Å; Y109-P134 HydrophobicContact CD1-CG 4.04Å; Y109-P134 HydrophobicContact CE1-CG 3.95Å; Y132-P134 HydrophobicContact CD1-CB 4.36Å; Y132-P134 HydrophobicContact CE1-CB 4.15Å; Y132-P134 WeakPolarHBondContact O-CD 3.33Å; P134-F172 WeakPolarHBondContact O-CE1 3.39Å
135	Y	83.3	Confident	86	Confident	52 Å²	52	51 Å²	51	20%	0.204	25%	0.251	C	S	.	.	S	Bend	trans	-110.3	155.4	-172.5	-52.9	-62.5	0	0	0	113.2	Y109 N133 V137 L139 P171 R200	Y109-Y135 AromaticContact CE1-CE2 3.86Å; Y109-Y135 HydrophobicContact CE1-CE2 3.86Å; Y109-Y135 PolarHBondContact OH-OH 3.31Å; N133-Y135 PolarHBondContact O-N 3.3Å; N133-Y135 WeakPolarHBondContact OD1-CB 3.11Å; N133-Y135 WeakPolarHBondContact OD1-CD2 3.32Å; N133-Y135 PolarHBondContact OD1-N 3.47Å; Y135-V137 PolarHBondContact O-N 2.92Å; Y135-L139 HydrophobicContact CD2-CD1 4.39Å; Y135-L139 HydrophobicContact CD2-CD2 4.46Å; Y135-L139 HydrophobicContact CE2-CD1 4.38Å; Y135-L139 HydrophobicContact CE2-CD2 4.47Å; Y135-P171 VanDerWaalsContact O-CA 3.3Å; Y135-P171 WeakPolarHBondContact O-CA 3.01Å; Y135-P171 WeakPolarHBondContact O-CB 3.46Å; Y135-R200 VanDerWaalsContact CD1-NH1 3.32Å
136	P	75.9	Confident	86.4	Confident	84 Å²	84	52.4 Å²	52.4	55%	0.545	26%	0.262	S	S	.	.	S	Bend	trans	-74.4	-2.8	173.6	31.8	-36.9	0	0	0	114.2	P171 F172	P136-P171 VanDerWaalsContact O-CG 3.3Å; P136-P171 WeakPolarHBondContact O-CG 3.27Å; P136-F172 HydrophobicContact CB-CE2 3.92Å; P136-F172 HydrophobicContact CB-CZ 3.96Å
137	V	86.9	Confident	86.5	Confident	82 Å²	82	52.5 Å²	52.5	50%	0.497	26%	0.263	S	S	.	.	S	Bend	trans	-112	150.7	176.2	-65.9	0	0	0	0	110.3	N133 Y135	N133-V137 PolarHBondContact ND2-O 3.18Å; Y135-V137 PolarHBondContact O-N 2.92Å
138	P	87.8	Confident	86.6	Confident	86 Å²	86	50.8 Å²	50.8	56%	0.558	26%	0.26	S	S	*	.			trans	-56.1	140.3	172	-21.8	32.9	0	0	0	111.1	I169	P138-I169 WeakPolarHBondContact CA-O 3.25Å
139	L	89.5	Confident	86.6	Confident	2 Å²	2	51.3 Å²	51.3	1%	0.01	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	126.4	177.5	-179.5	67	0	0	0	108.1	Y109 M131 N133 Y135 I169 T198 R200	Y109-L139 HydrophobicContact CD1-CD2 3.96Å; Y109-L139 HydrophobicContact CE1-CD2 3.72Å; M131-L139 HydrophobicContact CE-CD2 3.83Å; N133-L139 HydrophobicContact CB-CB 4.18Å; N133-L139 HydrophobicContact CB-CD2 4.44Å; N133-L139 WeakPolarHBondContact ND2-CB 3.43Å; N133-L139 PolarHBondContact ND2-N 2.95Å; Y135-L139 HydrophobicContact CD2-CD1 4.39Å; Y135-L139 HydrophobicContact CD2-CD2 4.46Å; Y135-L139 HydrophobicContact CE2-CD1 4.38Å; Y135-L139 HydrophobicContact CE2-CD2 4.47Å; L139-I169 PolarHBondContact N-O 3.16Å; L139-I169 PolarHBondContact O-N 2.92Å; L139-T198 HydrophobicContact CD1-CG2 3.85Å; L139-T198 HydrophobicContact CD2-CG2 4.18Å; L139-T198 HydrophobicContact CG-CG2 4Å; L139-R200 HydrophobicContact CD1-CG 3.7Å
140	R	90	Very high	86.4	Confident	115 Å²	115	51.7 Å²	51.7	43%	0.434	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	128.8	179.3	178.8	176.7	51	148.6	3.5	110	I142 W167 N168 T198 D199	R140-I142 HydrophobicContact CG-CG2 4.32Å; R140-W167 WeakPolarHBondContact CA-O 3.41Å; R140-W167 HydrophobicContact CG-CB 4.37Å; R140-N168 WeakPolarHBondContact CB-OD1 3.32Å; R140-N168 WeakPolarHBondContact CD-OD1 3.32Å; R140-N168 VanDerWaalsContact CG-OD1 3.24Å; R140-N168 WeakPolarHBondContact CG-OD1 3.31Å; R140-T198 CarbonylContact O-C 3.57Å; R140-T198 VanDerWaalsContact O-CA 3.25Å; R140-T198 WeakPolarHBondContact O-CA 3.29Å; R140-D199 HydrophobicContact CB-CB 4.3Å; R140-D199 VanDerWaalsContact CB-OD2 3.3Å; R140-D199 WeakPolarHBondContact CB-OD2 3.36Å; R140-D199 IonicContact CZ-OD2 3.93Å; R140-D199 PolarHBondContact N-OD1 3.11Å; R140-D199 IonicContact NE-OD2 2.85Å; R140-D199 PolarHBondContact NE-OD2 2.83Å; R140-D199 IonicContact NH2-OD2 3.89Å; R140-D199 PolarHBondContact O-N 2.98Å
141	V	89	Confident	86.5	Confident	2 Å²	2	48 Å²	48	1%	0.012	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	127.2	165.9	178.5	0	0	0	0	107.6	M131 E143 W167 I169 L177 K197	M131-V141 HydrophobicContact SD-CG2 3.88Å; V141-E143 WeakPolarHBondContact CG1-O 3.45Å; V141-W167 HydrophobicContact CB-CB 4.44Å; V141-W167 HydrophobicContact CB-CE3 3.78Å; V141-W167 HydrophobicContact CB-CZ3 4.43Å; V141-W167 HydrophobicContact CG1-CE3 3.79Å; V141-W167 HydrophobicContact CG1-CZ3 3.98Å; V141-W167 PolarHBondContact N-O 3.22Å; V141-W167 VanDerWaalsContact N-O 3.1Å; V141-W167 VanDerWaalsContact O-CB 3.26Å; V141-W167 WeakPolarHBondContact O-CB 3.16Å; V141-I169 HydrophobicContact CG2-CD1 4.24Å; V141-L177 HydrophobicContact CG2-CD1 3.9Å; V141-L177 HydrophobicContact CG2-CD2 4.38Å; V141-K197 CarbonylContact C-O 3.53Å; V141-K197 WeakPolarHBondContact CA-O 3.28Å
142	I	87.6	Confident	86.6	Confident	88 Å²	88	52 Å²	52	45%	0.451	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	-18	-179.5	62.4	172.7	0	0	0	112.6	R140 K197 T198 D199	R140-I142 HydrophobicContact CG-CG2 4.32Å; I142-K197 HydrophobicContact CD1-CD 3.98Å; I142-K197 HydrophobicContact CD1-CG 4.03Å; I142-K197 HydrophobicContact CG1-CB 4.02Å; I142-K197 HydrophobicContact CG1-CD 4.22Å; I142-K197 HydrophobicContact CG1-CG 4.03Å; I142-K197 PolarHBondContact N-O 2.86Å; I142-T198 WeakPolarHBondContact CD1-O 3.25Å; I142-D199 HydrophobicContact CG2-CB 3.79Å
143	E	86.9	Confident	86.9	Confident	70 Å²	70	53 Å²	53	33%	0.327	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	137.9	-176	-157	-172.9	139.1	0	0	109.1	V141 Y145 L196 K197	V141-E143 WeakPolarHBondContact CG1-O 3.45Å; E143-Y145 WeakPolarHBondContact OE1-CD1 3.47Å; E143-Y145 VanDerWaalsContact OE1-CE1 3.32Å; E143-Y145 WeakPolarHBondContact OE1-CE1 3.39Å; E143-L196 WeakPolarHBondContact O-CA 3.46Å; E143-K197 HydrophobicContact CB-CB 3.63Å; E143-K197 HydrophobicContact CB-CD 4.35Å; E143-K197 PolarHBondContact N-O 2.89Å; E143-K197 PolarHBondContact O-N 2.95Å; E143-K197 WeakPolarHBondContact OE2-CD 3.12Å; E143-K197 IonicContact OE2-NZ 2.78Å
144	M	88.9	Confident	86.9	Confident	33 Å²	33	56.4 Å²	56.4	16%	0.163	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	127.2	167.3	-178.9	-174.7	-81.7	0	0	109.1	V129 L153 W167 L177 A178 I194 R195 L196	V129-M144 HydrophobicContact CB-CE 4.48Å; V129-M144 HydrophobicContact CG1-CE 3.87Å; M144-L153 HydrophobicContact CG-CD1 3.92Å; M144-L153 HydrophobicContact SD-CD1 4.21Å; M144-W167 HydrophobicContact CB-CH2 4.12Å; M144-W167 HydrophobicContact CB-CZ3 4.29Å; M144-W167 HydrophobicContact CE-CZ3 4.25Å; M144-W167 HydrophobicContact SD-CH2 4.33Å; M144-W167 HydrophobicContact SD-CZ3 4.37Å; M144-L177 HydrophobicContact CE-CB 3.75Å; M144-L177 HydrophobicContact CE-CD1 3.76Å; M144-L177 HydrophobicContact CE-CG 4.44Å; M144-A178 HydrophobicContact SD-CB 3.76Å; M144-I194 HydrophobicContact CG-CG2 3.89Å; M144-I194 HydrophobicContact SD-CG2 4.37Å; M144-R195 VanDerWaalsContact CA-O 3.28Å; M144-R195 WeakPolarHBondContact CA-O 3.3Å; M144-L196 HydrophobicContact CE-CD1 4.45Å; M144-L196 HydrophobicContact CE-CD2 3.5Å; M144-L196 HydrophobicContact CE-CG 3.74Å; M144-L196 HydrophobicContact CG-CG 4.4Å
145	Y	89.1	Confident	87.1	Confident	79 Å²	79	58.8 Å²	58.8	31%	0.31	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	159.7	175.8	72.9	-105.4	0	0	0	112.4	E143 F193 I194 R195	E143-Y145 WeakPolarHBondContact OE1-CD1 3.47Å; E143-Y145 VanDerWaalsContact OE1-CE1 3.32Å; E143-Y145 WeakPolarHBondContact OE1-CE1 3.39Å; Y145-F193 AromaticContact CE2-CE2 3.95Å; Y145-F193 HydrophobicContact CE2-CE2 3.95Å; Y145-I194 CarbonylContact O-C 3.58Å; Y145-I194 WeakPolarHBondContact O-CA 3.5Å; Y145-R195 HydrophobicContact CD1-CB 4.18Å; Y145-R195 HydrophobicContact CD2-CB 4.44Å; Y145-R195 HydrophobicContact CE1-CB 3.86Å; Y145-R195 VanDerWaalsContact CE1-CD 3.5Å; Y145-R195 HydrophobicContact CE1-CG 4.16Å; Y145-R195 HydrophobicContact CE2-CB 4.11Å; Y145-R195 HydrophobicContact CG-CB 4.47Å; Y145-R195 VanDerWaalsContact CZ-CD 3.47Å; Y145-R195 PolarHBondContact N-O 3.1Å; Y145-R195 VanDerWaalsContact N-O 3.11Å; Y145-R195 PolarHBondContact O-N 2.78Å; Y145-R195 WeakPolarHBondContact OH-CD 3.48Å; Y145-R195 PolarHBondContact OH-NH1 2.95Å
146	S	89.4	Confident	86.8	Confident	39 Å²	39	57.5 Å²	57.5	27%	0.273	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	146.8	172.8	48.1	0	0	0	0	111.7	L151 F193	S146-L151 WeakPolarHBondContact CB-O 3.47Å; S146-L151 PolarHBondContact OG-O 2.85Å; S146-F193 WeakPolarHBondContact CA-O 3.4Å
147	S	87.2	Confident	86.5	Confident	48 Å²	48	59.6 Å²	59.6	34%	0.336	33%	0.326	S	S	.	.	S	Bend	trans	-88.6	-1.5	-174.2	78.3	0	0	0	0	115.7	A192 F193	S147-A192 WeakPolarHBondContact OG-CA 3.32Å; S147-F193 VanDerWaalsContact CB-CE1 3.4Å; S147-F193 VanDerWaalsContact CB-CZ 3.47Å; S147-F193 PolarHBondContact N-O 2.69Å; S147-F193 WeakPolarHBondContact OG-CD1 3.45Å; S147-F193 PolarHBondContact OG-N 2.77Å
148	D	84.3	Confident	85.3	Confident	49 Å²	49	61.7 Å²	61.7	26%	0.262	34%	0.335	S	S	.	.	S	Bend	trans	-148.4	140.9	-170.5	-176.3	-81.5	0	0	0	110.2	S150 L151 A192	D148-S150 PolarHBondContact O-N 2.9Å; D148-S150 VanDerWaalsContact OD1-CB 3.29Å; D148-S150 WeakPolarHBondContact OD1-CB 3.28Å; D148-S150 PolarHBondContact OD1-N 2.82Å; D148-S150 PolarHBondContact OD1-OG 2.87Å; D148-L151 PolarHBondContact O-N 2.86Å; D148-A192 HydrophobicContact CB-CB 3.65Å
149	S	86	Confident	84	Confident	109 Å²	109	58 Å²	58	76%	0.762	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-12.1	-174.1	56.2	0	0	0	0	114.7	L151 H152	S149-L151 VanDerWaalsContact C-N 3.33Å; S149-H152 PolarHBondContact O-CE1 3.02Å
150	S	84.3	Confident	82.6	Confident	10 Å²	10	61.2 Å²	61.2	7%	0.07	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-9.1	170	69.6	0	0	0	0	113.8	D148 V182 I183 T190	D148-S150 PolarHBondContact O-N 2.9Å; D148-S150 VanDerWaalsContact OD1-CB 3.29Å; D148-S150 WeakPolarHBondContact OD1-CB 3.28Å; D148-S150 PolarHBondContact OD1-N 2.82Å; D148-S150 PolarHBondContact OD1-OG 2.87Å; S150-V182 CarbonylContact O-C 3.34Å; S150-V182 VanDerWaalsContact O-CA 3.29Å; S150-V182 WeakPolarHBondContact O-CA 3.45Å; S150-I183 PolarHBondContact O-N 3.34Å; S150-T190 WeakPolarHBondContact OG-CG2 3.44Å
151	L	88.6	Confident	81.1	Confident	1 Å²	1	63 Å²	63	1%	0.005	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	101.4	-179.8	172.6	60.4	0	0	0	110.5	S146 D148 S149 A180 V182 A192 I194 V210	S146-L151 WeakPolarHBondContact CB-O 3.47Å; S146-L151 PolarHBondContact OG-O 2.85Å; D148-L151 PolarHBondContact O-N 2.86Å; S149-L151 VanDerWaalsContact C-N 3.33Å; L151-A180 HydrophobicContact CD1-CB 4.25Å; L151-V182 HydrophobicContact CD1-CG2 3.75Å; L151-A192 HydrophobicContact CD2-CB 3.88Å; L151-I194 HydrophobicContact CD2-CG1 3.94Å; L151-V210 HydrophobicContact CD1-CG1 4.5Å; L151-V210 HydrophobicContact CD2-CB 4.22Å; L151-V210 HydrophobicContact CD2-CG1 4.41Å; L151-V210 HydrophobicContact CD2-CG2 3.83Å
152	H	90.8	Very high	80	Confident	85 Å²	85	67 Å²	67	39%	0.394	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	158.1	176.5	-51.9	-72	0	0	0	111.7	S149 A180 R181	S149-H152 PolarHBondContact O-CE1 3.02Å; H152-A180 WeakPolarHBondContact O-CA 3.43Å; H152-R181 PolarHBondContact N-O 3.21Å; H152-R181 PolarHBondContact O-N 3.23Å
153	L	90.6	Very high	78.9	Confident	45 Å²	45	70 Å²	70	24%	0.236	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	99.2	179.8	-62.5	175.3	0	0	0	109.8	M144 A178 A180 I194	M144-L153 HydrophobicContact CG-CD1 3.92Å; M144-L153 HydrophobicContact SD-CD1 4.21Å; L153-A178 HydrophobicContact CB-CB 4.43Å; L153-A180 HydrophobicContact CD2-CB 3.74Å; L153-I194 HydrophobicContact CD1-CG2 4.19Å; L153-I194 HydrophobicContact CD2-CD1 3.96Å; L153-I194 HydrophobicContact CD2-CG1 4.19Å; L153-I194 HydrophobicContact CD2-CG2 4.2Å
154	D	88.8	Confident	77.8	Confident	70 Å²	70	70.3 Å²	70.3	37%	0.374	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	123.5	180	-50.4	-49.2	0	0	0	110.1	A178 N179	D154-A178 CarbonylContact O-C 3.59Å; D154-A178 WeakPolarHBondContact O-CA 3.44Å; D154-N179 HydrophobicContact CB-CB 4.23Å; D154-N179 PolarHBondContact N-O 2.75Å; D154-N179 PolarHBondContact O-N 2.87Å; D154-N179 PolarHBondContact OD2-ND2 3.11Å
155	L	84.6	Confident	77	Confident	86 Å²	86	71.3 Å²	71.3	45%	0.45	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-85.7	145	173.1	-67.6	175.7	0	0	0	111.3	F166 W167 A178	L155-F166 HydrophobicContact CD2-CE1 4.4Å; L155-W167 HydrophobicContact CD1-CZ2 4.17Å; L155-W167 HydrophobicContact CD2-CH2 3.66Å; L155-W167 HydrophobicContact CD2-CZ2 3.74Å; L155-A178 HydrophobicContact CD2-CB 4.15Å
156	P	76.1	Confident	76.7	Confident	25 Å²	25	68.8 Å²	68.8	16%	0.162	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-57.7	143.5	172	-24.9	35.3	0	0	0	112.4	W128 D158 C159 F166	W128-P156 HydrophobicContact CH2-CG 3.99Å; W128-P156 HydrophobicContact CZ3-CG 3.82Å; P156-D158 PolarHBondContact O-N 2.87Å; P156-D158 VanDerWaalsContact O-N 3.16Å; P156-C159 WeakPolarHBondContact O-CB 3.46Å; P156-C159 PolarHBondContact O-N 2.95Å; P156-F166 HydrophobicContact CB-CE2 4.24Å; P156-F166 HydrophobicContact CB-CZ 4.44Å; P156-F166 HydrophobicContact CG-CE2 3.89Å; P156-F166 HydrophobicContact CG-CZ 3.66Å
157	V	69.7	Low	76.5	Confident	127 Å²	127	69.6 Å²	69.6	77%	0.77	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-54.9	-36.9	179.4	-175.6	0	0	0	0	111.6	C159 A160	V157-C159 PolarHBondContact O-N 3.48Å; V157-C159 VanDerWaalsContact O-N 3.13Å; V157-A160 VanDerWaalsContact O-CB 3.27Å; V157-A160 WeakPolarHBondContact O-CB 3.34Å; V157-A160 PolarHBondContact O-N 2.97Å
158	D	63.1	Low	76.6	Confident	127 Å²	127	70.1 Å²	70.1	68%	0.679	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-59	-25	178	-51.6	-45.3	0	0	0	113.7	P156 A160 N161	P156-D158 PolarHBondContact O-N 2.87Å; P156-D158 VanDerWaalsContact O-N 3.16Å; D158-A160 PolarHBondContact O-N 2.88Å; D158-N161 PolarHBondContact O-N 2.92Å
159	C	60.7	Low	76.8	Confident	7 Å²	7	67.8 Å²	67.8	5%	0.047	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-64.3	-26.6	176.4	-175.4	0	0	0	0	112.3	P156 V157 N161 N162 K163 F166	P156-C159 WeakPolarHBondContact O-CB 3.46Å; P156-C159 PolarHBondContact O-N 2.95Å; V157-C159 PolarHBondContact O-N 3.48Å; V157-C159 VanDerWaalsContact O-N 3.13Å; C159-N161 VanDerWaalsContact C-N 3.26Å; C159-N161 PolarHBondContact O-N 3.02Å; C159-N162 PolarHBondContact O-N 2.84Å; C159-K163 WeakPolarHBondContact O-CG 3.44Å; C159-K163 PolarHBondContact O-N 3.07Å; C159-F166 HydrophobicContact CB-CB 4.18Å; C159-F166 HydrophobicContact CB-CD1 3.92Å; C159-F166 HydrophobicContact CB-CD2 3.84Å; C159-F166 HydrophobicContact CB-CE1 4.36Å; C159-F166 HydrophobicContact CB-CE2 4.29Å; C159-F166 HydrophobicContact CB-CG 3.66Å; C159-F166 WeakPolarHBondContact SG-CD1 3.32Å; C159-F166 VanDerWaalsContact SG-CG 3.52Å
160	A	58.9	Low	76.9	Confident	70 Å²	70	65.2 Å²	65.2	58%	0.579	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-60.5	-36.9	-179.6	0	0	0	0	0	112.3	V157 D158	V157-A160 VanDerWaalsContact O-CB 3.27Å; V157-A160 WeakPolarHBondContact O-CB 3.34Å; V157-A160 PolarHBondContact O-N 2.97Å; D158-A160 PolarHBondContact O-N 2.88Å
161	N	59.5	Low	77	Confident	152 Å²	152	67 Å²	67	81%	0.813	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-21.5	-174.4	-66.7	-17.8	0	0	0	113.6	D158 C159	D158-N161 PolarHBondContact O-N 2.92Å; C159-N161 VanDerWaalsContact C-N 3.26Å; C159-N161 PolarHBondContact O-N 3.02Å
162	N	65.6	Low	76.6	Confident	88 Å²	88	70.2 Å²	70.2	47%	0.471	39%	0.392	S	S	.	.			trans	-151.5	63.9	-178.4	-158.9	-20.3	0	0	0	113	C159 A164 S165 F166	C159-N162 PolarHBondContact O-N 2.84Å; N162-A164 PolarHBondContact O-N 2.83Å; N162-A164 VanDerWaalsContact O-N 3.12Å; N162-S165 PolarHBondContact ND2-OG 2.81Å; N162-S165 PolarHBondContact O-N 2.56Å; N162-S165 PolarHBondContact O-OG 2.88Å; N162-S165 PolarHBondContact OD1-N 2.89Å; N162-S165 PolarHBondContact OD1-OG 3.06Å; N162-F166 PolarHBondContact O-N 3.27Å
163	K	63.9	Low	76.1	Confident	150 Å²	150	74.2 Å²	74.2	65%	0.652	40%	0.404	S	S	*	.	H	α-helix	trans	-49.8	-38.5	-177.6	-64.1	-177.9	179.3	-178.6	0	113.6	C159 W167	C159-K163 WeakPolarHBondContact O-CG 3.44Å; C159-K163 PolarHBondContact O-N 3.07Å; K163-W167 VanDerWaalsContact O-CD1 3.29Å
164	A	63.5	Low	75.8	Confident	77 Å²	77	75.4 Å²	75.4	64%	0.636	41%	0.413	S	S	*	.	H	α-helix	trans	-74	-34.7	-176.1	0	0	0	0	0	113.7	N162 N168	N162-A164 PolarHBondContact O-N 2.83Å; N162-A164 VanDerWaalsContact O-N 3.12Å; A164-N168 PolarHBondContact O-ND2 3.15Å
165	S	73.5	Confident	75.7	Confident	53 Å²	53	74.7 Å²	74.7	37%	0.371	41%	0.407	S	S	.	.	H	α-helix	trans	-87.3	-20.9	177.1	77	0	0	0	0	113.2	N162 W167 N168 K175	N162-S165 PolarHBondContact ND2-OG 2.81Å; N162-S165 PolarHBondContact O-N 2.56Å; N162-S165 PolarHBondContact O-OG 2.88Å; N162-S165 PolarHBondContact OD1-N 2.89Å; N162-S165 PolarHBondContact OD1-OG 3.06Å; S165-W167 VanDerWaalsContact C-N 3.32Å; S165-W167 PolarHBondContact O-N 3.2Å; S165-N168 PolarHBondContact O-N 3.02Å; S165-K175 PolarHBondContact O-NZ 3.09Å
166	F	81	Confident	75.9	Confident	26 Å²	26	76.9 Å²	76.9	11%	0.114	41%	0.409	C	S	.	.	H	α-helix	trans	-62.3	-37.6	-179.5	-176.5	-92.7	0	0	0	112.5	L155 P156 C159 N162 N168 K175 L177	L155-F166 HydrophobicContact CD2-CE1 4.4Å; P156-F166 HydrophobicContact CB-CE2 4.24Å; P156-F166 HydrophobicContact CB-CZ 4.44Å; P156-F166 HydrophobicContact CG-CE2 3.89Å; P156-F166 HydrophobicContact CG-CZ 3.66Å; C159-F166 HydrophobicContact CB-CB 4.18Å; C159-F166 HydrophobicContact CB-CD1 3.92Å; C159-F166 HydrophobicContact CB-CD2 3.84Å; C159-F166 HydrophobicContact CB-CE1 4.36Å; C159-F166 HydrophobicContact CB-CE2 4.29Å; C159-F166 HydrophobicContact CB-CG 3.66Å; C159-F166 WeakPolarHBondContact SG-CD1 3.32Å; C159-F166 VanDerWaalsContact SG-CG 3.52Å; N162-F166 PolarHBondContact O-N 3.27Å; F166-N168 VanDerWaalsContact C-N 3.33Å; F166-N168 PolarHBondContact O-N 2.79Å; F166-K175 VanDerWaalsContact O-CE 3.23Å; F166-K175 WeakPolarHBondContact O-CE 3.47Å; F166-K175 PolarHBondContact O-NZ 3.38Å; F166-L177 WeakPolarHBondContact CE1-O 3.46Å; F166-L177 VanDerWaalsContact CZ-O 3.28Å; F166-L177 WeakPolarHBondContact CZ-O 3.29Å
167	W	86.2	Confident	76.5	Confident	56 Å²	56	75.7 Å²	75.7	21%	0.212	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-4	179.3	-62.8	109.1	0	0	0	115.6	R140 V141 M144 L155 K163 S165 L177	R140-W167 WeakPolarHBondContact CA-O 3.41Å; R140-W167 HydrophobicContact CG-CB 4.37Å; V141-W167 HydrophobicContact CB-CB 4.44Å; V141-W167 HydrophobicContact CB-CE3 3.78Å; V141-W167 HydrophobicContact CB-CZ3 4.43Å; V141-W167 HydrophobicContact CG1-CE3 3.79Å; V141-W167 HydrophobicContact CG1-CZ3 3.98Å; V141-W167 PolarHBondContact N-O 3.22Å; V141-W167 VanDerWaalsContact N-O 3.1Å; V141-W167 VanDerWaalsContact O-CB 3.26Å; V141-W167 WeakPolarHBondContact O-CB 3.16Å; M144-W167 HydrophobicContact CB-CH2 4.12Å; M144-W167 HydrophobicContact CB-CZ3 4.29Å; M144-W167 HydrophobicContact CE-CZ3 4.25Å; M144-W167 HydrophobicContact SD-CH2 4.33Å; M144-W167 HydrophobicContact SD-CZ3 4.37Å; L155-W167 HydrophobicContact CD1-CZ2 4.17Å; L155-W167 HydrophobicContact CD2-CH2 3.66Å; L155-W167 HydrophobicContact CD2-CZ2 3.74Å; K163-W167 VanDerWaalsContact O-CD1 3.29Å; S165-W167 VanDerWaalsContact C-N 3.32Å; S165-W167 PolarHBondContact O-N 3.2Å; W167-L177 HydrophobicContact CE3-CD2 4.27Å; W167-L177 HydrophobicContact CZ3-CB 4.21Å
168	N	88.9	Confident	77.4	Confident	60 Å²	60	69.6 Å²	69.6	32%	0.321	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	121	178.6	-65.2	-16.3	0	0	0	111.6	R140 A164 S165 F166 K175	R140-N168 WeakPolarHBondContact CB-OD1 3.32Å; R140-N168 WeakPolarHBondContact CD-OD1 3.32Å; R140-N168 VanDerWaalsContact CG-OD1 3.24Å; R140-N168 WeakPolarHBondContact CG-OD1 3.31Å; A164-N168 PolarHBondContact O-ND2 3.15Å; S165-N168 PolarHBondContact O-N 3.02Å; F166-N168 VanDerWaalsContact C-N 3.33Å; F166-N168 PolarHBondContact O-N 2.79Å; N168-K175 WeakPolarHBondContact O-CD 3.35Å; N168-K175 PolarHBondContact O-NZ 2.95Å
169	I	89.4	Confident	78.7	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	114.1	176.1	-47.8	178.6	0	0	0	108.8	M131 N133 P138 L139 V141 R173 K175 L177	M131-I169 HydrophobicContact CB-CD1 3.82Å; M131-I169 HydrophobicContact CG-CD1 3.69Å; M131-I169 HydrophobicContact SD-CD1 3.64Å; N133-I169 HydrophobicContact CB-CB 4.09Å; N133-I169 HydrophobicContact CB-CG2 3.59Å; N133-I169 PolarHBondContact ND2-O 3.39Å; P138-I169 WeakPolarHBondContact CA-O 3.25Å; L139-I169 PolarHBondContact N-O 3.16Å; L139-I169 PolarHBondContact O-N 2.92Å; V141-I169 HydrophobicContact CG2-CD1 4.24Å; I169-R173 VanDerWaalsContact CG2-O 3.3Å; I169-R173 WeakPolarHBondContact CG2-O 3.44Å; I169-K175 HydrophobicContact CG1-CB 4.22Å; I169-K175 HydrophobicContact CG1-CD 4.4Å; I169-K175 HydrophobicContact CG2-CB 4.08Å; I169-L177 HydrophobicContact CD1-CD2 4.28Å; I169-L177 HydrophobicContact CG1-CD2 4.38Å
170	P	87.1	Confident	80	Confident	55 Å²	55	64.4 Å²	64.4	36%	0.357	34%	0.337	S	S	.	.			trans	-62.4	156.3	-179.4	-22.6	33.6	0	0	0	113.1	N133 F172 R173	N133-P170 WeakPolarHBondContact CB-O 3.49Å; N133-P170 PolarHBondContact ND2-O 2.89Å; P170-F172 PolarHBondContact O-N 2.85Å; P170-R173 HydrophobicContact CB-CB 4.41Å; P170-R173 HydrophobicContact CB-CG 4.34Å; P170-R173 PolarHBondContact O-N 3.24Å
171	P	85.7	Confident	81.4	Confident	46 Å²	46	65.7 Å²	65.7	30%	0.299	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.9	132	176.1	-29.4	35.1	0	0	0	113.4	Y135 P136 R173	Y135-P171 VanDerWaalsContact O-CA 3.3Å; Y135-P171 WeakPolarHBondContact O-CA 3.01Å; Y135-P171 WeakPolarHBondContact O-CB 3.46Å; P136-P171 VanDerWaalsContact O-CG 3.3Å; P136-P171 WeakPolarHBondContact O-CG 3.27Å; P171-R173 PolarHBondContact O-N 2.91Å; P171-R173 VanDerWaalsContact O-N 3.12Å
172	F	81	Confident	82.8	Confident	69 Å²	69	58.5 Å²	58.5	30%	0.303	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.6	28.8	176.6	-48.9	-67.2	0	0	0	115.4	Y132 N133 P134 P136 P170 H318	Y132-F172 VanDerWaalsContact CE2-C 3.49Å; Y132-F172 WeakPolarHBondContact CE2-O 3.21Å; N133-F172 WeakPolarHBondContact O-CA 3.34Å; N133-F172 PolarHBondContact O-N 2.93Å; N133-F172 VanDerWaalsContact O-N 3.07Å; P134-F172 WeakPolarHBondContact O-CE1 3.39Å; P136-F172 HydrophobicContact CB-CE2 3.92Å; P136-F172 HydrophobicContact CB-CZ 3.96Å; P170-F172 PolarHBondContact O-N 2.85Å; F172-H318 AromaticContact CE2-CD2 3.97Å; F172-H318 AromaticContact CE2-NE2 3.27Å; F172-H318 VanDerWaalsContact CE2-NE2 3.27Å; F172-H318 WeakPolarHBondContact CE2-NE2 3.42Å; F172-H318 AromaticContact CZ-NE2 3.73Å
173	R	80.5	Confident	83.8	Confident	170 Å²	170	56.8 Å²	56.8	64%	0.642	28%	0.278	S	S	*	.			trans	-120.2	151.8	175.5	-65	-163.9	-177.2	-160.7	0.5	112.6	Y132 N133 I169 P170 P171	Y132-R173 WeakPolarHBondContact CA-O 3.42Å; N133-R173 PolarHBondContact N-O 3.1Å; I169-R173 VanDerWaalsContact CG2-O 3.3Å; I169-R173 WeakPolarHBondContact CG2-O 3.44Å; P170-R173 HydrophobicContact CB-CB 4.41Å; P170-R173 HydrophobicContact CB-CG 4.34Å; P170-R173 PolarHBondContact O-N 3.24Å; P171-R173 PolarHBondContact O-N 2.91Å; P171-R173 VanDerWaalsContact O-N 3.12Å
174	T	83.2	Confident	84.8	Confident	70 Å²	70	49.7 Å²	49.7	43%	0.429	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	142.8	165.3	-49.5	0	0	0	0	110.3	E130 M131	E130-T174 HydrophobicContact CB-CG2 3.92Å; M131-T174 CarbonylContact O-C 3.6Å; M131-T174 VanDerWaalsContact O-CA 3.32Å; M131-T174 WeakPolarHBondContact O-CA 3.32Å
175	K	87.9	Confident	85.8	Confident	54 Å²	54	49.6 Å²	49.6	24%	0.235	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	144.4	172.8	-161.5	177.8	-167.7	177.2	0	110.7	E130 M131 S165 F166 N168 I169	E130-K175 WeakPolarHBondContact CA-O 3.33Å; M131-K175 PolarHBondContact N-O 2.74Å; M131-K175 PolarHBondContact O-N 3.11Å; S165-K175 PolarHBondContact O-NZ 3.09Å; F166-K175 VanDerWaalsContact O-CE 3.23Å; F166-K175 WeakPolarHBondContact O-CE 3.47Å; F166-K175 PolarHBondContact O-NZ 3.38Å; N168-K175 WeakPolarHBondContact O-CD 3.35Å; N168-K175 PolarHBondContact O-NZ 2.95Å; I169-K175 HydrophobicContact CG1-CB 4.22Å; I169-K175 HydrophobicContact CG1-CD 4.4Å; I169-K175 HydrophobicContact CG2-CB 4.08Å
176	R	88	Confident	86.3	Confident	132 Å²	132	56.4 Å²	56.4	50%	0.498	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	130.7	166.7	-75.8	175.3	-179.7	176.5	0.4	109.2	W128 E130	W128-R176 HydrophobicContact CB-CG 4.34Å; W128-R176 HydrophobicContact CD2-CG 4.31Å; W128-R176 HydrophobicContact CE3-CB 4Å; W128-R176 HydrophobicContact CE3-CG 4.21Å; W128-R176 HydrophobicContact CG-CG 4.37Å; W128-R176 HydrophobicContact CZ3-CB 4.47Å; E130-R176 HydrophobicContact CG-CG 3.61Å; E130-R176 IonicContact OE1-CZ 3.3Å; E130-R176 IonicContact OE1-NE 2.71Å; E130-R176 PolarHBondContact OE1-NE 3.01Å; E130-R176 IonicContact OE1-NH2 3.42Å; E130-R176 PolarHBondContact OE1-NH2 2.81Å
177	L	89.1	Confident	86.5	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	-58.7	-177	-60.2	178.4	0	0	0	111.3	V129 M131 V141 M144 F166 W167 I169 L196	V129-L177 HydrophobicContact CG1-CD1 4.5Å; V129-L177 PolarHBondContact O-N 2.93Å; M131-L177 HydrophobicContact CB-CD1 3.7Å; M131-L177 HydrophobicContact CB-CG 4.35Å; M131-L177 HydrophobicContact CG-CD1 4.48Å; M131-L177 HydrophobicContact SD-CD1 4Å; V141-L177 HydrophobicContact CG2-CD1 3.9Å; V141-L177 HydrophobicContact CG2-CD2 4.38Å; M144-L177 HydrophobicContact CE-CB 3.75Å; M144-L177 HydrophobicContact CE-CD1 3.76Å; M144-L177 HydrophobicContact CE-CG 4.44Å; F166-L177 WeakPolarHBondContact CE1-O 3.46Å; F166-L177 VanDerWaalsContact CZ-O 3.28Å; F166-L177 WeakPolarHBondContact CZ-O 3.29Å; W167-L177 HydrophobicContact CE3-CD2 4.27Å; W167-L177 HydrophobicContact CZ3-CB 4.21Å; I169-L177 HydrophobicContact CD1-CD2 4.28Å; I169-L177 HydrophobicContact CG1-CD2 4.38Å; L177-L196 HydrophobicContact CD1-CD2 3.82Å
178	A	89.2	Confident	86.2	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	158.1	177.8	0	0	0	0	0	110.4	V129 M144 L153 D154 L155	V129-A178 PolarHBondContact N-O 3.04Å; M144-A178 HydrophobicContact SD-CB 3.76Å; L153-A178 HydrophobicContact CB-CB 4.43Å; D154-A178 CarbonylContact O-C 3.59Å; D154-A178 WeakPolarHBondContact O-CA 3.44Å; L155-A178 HydrophobicContact CD2-CB 4.15Å
179	N	89.1	Confident	85.7	Confident	24 Å²	24	65.7 Å²	65.7	13%	0.128	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	110	164.8	171.3	66.5	0	0	0	108.1	R127 W128 D154	R127-N179 PolarHBondContact N-OD1 2.71Å; W128-N179 HydrophobicContact CD2-CB 4.2Å; W128-N179 HydrophobicContact CE3-CB 3.98Å; W128-N179 HydrophobicContact CH2-CB 4Å; W128-N179 HydrophobicContact CZ2-CB 4.23Å; W128-N179 HydrophobicContact CZ3-CB 3.87Å; D154-N179 HydrophobicContact CB-CB 4.23Å; D154-N179 PolarHBondContact N-O 2.75Å; D154-N179 PolarHBondContact O-N 2.87Å; D154-N179 PolarHBondContact OD2-ND2 3.11Å
180	A	88.9	Confident	84.9	Confident	1 Å²	1	66.3 Å²	66.3	1%	0.008	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	126.4	178.9	0	0	0	0	0	109.8	F114 S126 R127 V129 L151 H152 L153 I194	F114-A180 HydrophobicContact CE1-CB 3.74Å; F114-A180 HydrophobicContact CZ-CB 3.86Å; S126-A180 WeakPolarHBondContact CA-O 3.35Å; R127-A180 PolarHBondContact N-O 2.86Å; R127-A180 PolarHBondContact O-N 3.11Å; V129-A180 HydrophobicContact CG2-CB 3.96Å; L151-A180 HydrophobicContact CD1-CB 4.25Å; H152-A180 WeakPolarHBondContact O-CA 3.43Å; L153-A180 HydrophobicContact CD2-CB 3.74Å; A180-I194 HydrophobicContact CB-CD1 3.58Å
181	R	89.3	Confident	84.7	Confident	96 Å²	96	68.1 Å²	68.1	36%	0.362	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	114.9	-172.5	-173.1	178.3	-175.9	-165.7	-2.2	111.6	S124 L125 H152 I183	S124-R181 PolarHBondContact OG-NE 2.88Å; S124-R181 VanDerWaalsContact OG-NE 3.15Å; S124-R181 PolarHBondContact OG-NH2 3.43Å; L125-R181 CarbonylContact O-C 3.55Å; L125-R181 VanDerWaalsContact O-CA 3.25Å; L125-R181 WeakPolarHBondContact O-CA 3.33Å; H152-R181 PolarHBondContact N-O 3.21Å; H152-R181 PolarHBondContact O-N 3.23Å; R181-I183 HydrophobicContact CG-CG1 4.43Å
182	V	87.4	Confident	84.6	Confident	2 Å²	2	66.3 Å²	66.3	1%	0.012	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	131.9	173.2	-179.2	0	0	0	0	109.5	I119 S124 L125 S150 L151 V210 V212	I119-V182 HydrophobicContact CD1-CG1 4.21Å; S124-V182 CarbonylContact C-O 3.57Å; S124-V182 WeakPolarHBondContact CA-O 3.4Å; S124-V182 VanDerWaalsContact CB-O 3.28Å; S124-V182 WeakPolarHBondContact CB-O 3.26Å; L125-V182 PolarHBondContact N-O 2.86Å; L125-V182 PolarHBondContact O-N 2.93Å; S150-V182 CarbonylContact O-C 3.34Å; S150-V182 VanDerWaalsContact O-CA 3.29Å; S150-V182 WeakPolarHBondContact O-CA 3.45Å; L151-V182 HydrophobicContact CD1-CG2 3.75Å; V182-V210 HydrophobicContact CG2-CG1 3.7Å; V182-V212 HydrophobicContact CB-CG2 4.35Å; V182-V212 HydrophobicContact CG1-CB 4.18Å; V182-V212 HydrophobicContact CG1-CG1 4.29Å; V182-V212 HydrophobicContact CG1-CG2 4.16Å; V182-V212 HydrophobicContact CG2-CG2 4.09Å
183	I	87.8	Confident	84.8	Confident	52 Å²	52	66.7 Å²	66.7	27%	0.267	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	121.8	177.8	-58.1	-177	0	0	0	109.9	S150 R181 S185	S150-I183 PolarHBondContact O-N 3.34Å; R181-I183 HydrophobicContact CG-CG1 4.43Å; I183-S185 VanDerWaalsContact C-N 3.26Å; I183-S185 PolarHBondContact O-N 2.84Å
184	G	84.7	Confident	85.1	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.289	C	S	.	.			trans	-77.1	65.5	-177.8	0	0	0	0	0	113.1	L121 N122 G123 R186	L121-G184 CarbonylContact C-O 3.57Å; L121-G184 WeakPolarHBondContact CA-O 3.49Å; N122-G184 PolarHBondContact N-O 3.04Å; G123-G184 PolarHBondContact O-N 2.89Å; G184-R186 PolarHBondContact O-N 2.87Å
185	S	83.6	Confident	85.3	Confident	75 Å²	75	59.3 Å²	59.3	52%	0.524	28%	0.284	S	S	.	.			trans	-75.4	-18.8	-174.3	63.2	0	0	0	0	114.9	I183	I183-S185 VanDerWaalsContact C-N 3.26Å; I183-S185 PolarHBondContact O-N 2.84Å
186	R	84.9	Confident	85.4	Confident	197 Å²	197	56.7 Å²	56.7	74%	0.743	27%	0.273	S	S	*	.	S	Bend	trans	-145.6	148.2	178.1	-61.2	-173.4	-177.9	-164.3	0.8	110.3	G184 K188 V214	G184-R186 PolarHBondContact O-N 2.87Å; R186-K188 PolarHBondContact O-N 3.33Å; R186-V214 WeakPolarHBondContact O-CB 3.45Å; R186-V214 VanDerWaalsContact O-CG1 3.28Å; R186-V214 WeakPolarHBondContact O-CG1 3.31Å
187	V	85	Confident	85.4	Confident	92 Å²	92	55.1 Å²	55.1	56%	0.558	27%	0.269	S	S	*	.	S	Bend	trans	-69.8	96.8	173.4	-175	0	0	0	0	109.1	L121 V214 A216	L121-V187 HydrophobicContact CD1-CG2 4.08Å; V187-V214 WeakPolarHBondContact CG1-O 3.32Å; V187-A216 HydrophobicContact CG2-CB 3.75Å
188	K	79.9	Confident	85.3	Confident	135 Å²	135	55.5 Å²	55.5	59%	0.587	27%	0.272	S	S	*	.	S	Bend	trans	-161.2	153.1	-179.8	-167.1	-166.6	168	-167.2	0	108.3	R186 T190 V214	R186-K188 PolarHBondContact O-N 3.33Å; K188-T190 PolarHBondContact O-N 3.07Å; K188-V214 WeakPolarHBondContact O-CB 3.45Å; K188-V214 WeakPolarHBondContact O-CG2 3.41Å; K188-V214 PolarHBondContact O-N 2.82Å
189	N	78.2	Confident	85.2	Confident	109 Å²	109	58.5 Å²	58.5	58%	0.583	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74	115.3	161.5	-68.1	-6.4	0	0	0	108.8
190	T	73.5	Confident	85	Confident	14 Å²	14	60.8 Å²	60.8	9%	0.086	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	110.2	173.5	-68.1	0	0	0	0	108.7	S150 K188 A192 E211 V212	S150-T190 WeakPolarHBondContact OG-CG2 3.44Å; K188-T190 PolarHBondContact O-N 3.07Å; T190-A192 HydrophobicContact CG2-CB 4.38Å; T190-E211 WeakPolarHBondContact O-CA 3Å; T190-V212 PolarHBondContact N-O 3.05Å; T190-V212 PolarHBondContact O-N 2.9Å
191	S	80.9	Confident	83.8	Confident	92 Å²	92	68 Å²	68	64%	0.643	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.7	111.9	168.5	58	0	0	0	0	109.2	V210	S191-V210 WeakPolarHBondContact CA-O 3.1Å
192	A	83.8	Confident	82.7	Confident	9 Å²	9	68.6 Å²	68.6	7%	0.074	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	174.7	-176.5	0	0	0	0	0	110.8	S147 D148 L151 T190 V210	S147-A192 WeakPolarHBondContact OG-CA 3.32Å; D148-A192 HydrophobicContact CB-CB 3.65Å; L151-A192 HydrophobicContact CD2-CB 3.88Å; T190-A192 HydrophobicContact CG2-CB 4.38Å; A192-V210 HydrophobicContact CB-CB 4.35Å; A192-V210 PolarHBondContact N-O 3.45Å; A192-V210 PolarHBondContact O-N 3.33Å
193	F	85.2	Confident	81.6	Confident	76 Å²	76	69.8 Å²	69.8	33%	0.333	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	154	170.8	58.8	-95.4	0	0	0	112	Y145 S146 S147 R195 L207 I208	Y145-F193 AromaticContact CE2-CE2 3.95Å; Y145-F193 HydrophobicContact CE2-CE2 3.95Å; S146-F193 WeakPolarHBondContact CA-O 3.4Å; S147-F193 VanDerWaalsContact CB-CE1 3.4Å; S147-F193 VanDerWaalsContact CB-CZ 3.47Å; S147-F193 PolarHBondContact N-O 2.69Å; S147-F193 WeakPolarHBondContact OG-CD1 3.45Å; S147-F193 PolarHBondContact OG-N 2.77Å; F193-R195 HydrophobicContact CD2-CB 4.29Å; F193-R195 HydrophobicContact CE2-CB 4.31Å; F193-L207 HydrophobicContact CD2-CD2 3.49Å; F193-L207 VanDerWaalsContact CD2-CD2 3.49Å; F193-L207 HydrophobicContact CE2-CD2 3.87Å; F193-L207 HydrophobicContact CG-CD2 4.15Å; F193-I208 CarbonylContact C-O 3.54Å; F193-I208 VanDerWaalsContact CA-O 3.28Å; F193-I208 WeakPolarHBondContact CA-O 3.07Å
194	I	88.2	Confident	80.7	Confident	0 Å²	0	72.1 Å²	72.1	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	117.9	164.8	-49.8	169.5	0	0	0	106.8	V129 M144 Y145 L151 L153 A180 L196 L207 I208 V210	V129-I194 HydrophobicContact CG2-CD1 3.79Å; M144-I194 HydrophobicContact CG-CG2 3.89Å; M144-I194 HydrophobicContact SD-CG2 4.37Å; Y145-I194 CarbonylContact O-C 3.58Å; Y145-I194 WeakPolarHBondContact O-CA 3.5Å; L151-I194 HydrophobicContact CD2-CG1 3.94Å; L153-I194 HydrophobicContact CD1-CG2 4.19Å; L153-I194 HydrophobicContact CD2-CD1 3.96Å; L153-I194 HydrophobicContact CD2-CG1 4.19Å; L153-I194 HydrophobicContact CD2-CG2 4.2Å; A180-I194 HydrophobicContact CB-CD1 3.58Å; I194-L196 HydrophobicContact CG2-CD1 4.11Å; I194-L207 WeakPolarHBondContact O-CA 3.18Å; I194-I208 HydrophobicContact CB-CB 4.19Å; I194-I208 PolarHBondContact N-O 3.26Å; I194-I208 PolarHBondContact O-N 3.34Å; I194-V210 HydrophobicContact CD1-CG2 4.32Å; I194-V210 HydrophobicContact CG1-CG2 4.1Å
195	R	87.5	Confident	80.3	Confident	85 Å²	85	74.2 Å²	74.2	32%	0.321	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	139.3	172.4	-168.6	174.8	-178.2	174.3	-0.4	109.7	M144 Y145 F193 P205 L206 L207	M144-R195 VanDerWaalsContact CA-O 3.28Å; M144-R195 WeakPolarHBondContact CA-O 3.3Å; Y145-R195 HydrophobicContact CD1-CB 4.18Å; Y145-R195 HydrophobicContact CD2-CB 4.44Å; Y145-R195 HydrophobicContact CE1-CB 3.86Å; Y145-R195 VanDerWaalsContact CE1-CD 3.5Å; Y145-R195 HydrophobicContact CE1-CG 4.16Å; Y145-R195 HydrophobicContact CE2-CB 4.11Å; Y145-R195 HydrophobicContact CG-CB 4.47Å; Y145-R195 VanDerWaalsContact CZ-CD 3.47Å; Y145-R195 PolarHBondContact N-O 3.1Å; Y145-R195 VanDerWaalsContact N-O 3.11Å; Y145-R195 PolarHBondContact O-N 2.78Å; Y145-R195 WeakPolarHBondContact OH-CD 3.48Å; Y145-R195 PolarHBondContact OH-NH1 2.95Å; F193-R195 HydrophobicContact CD2-CB 4.29Å; F193-R195 HydrophobicContact CE2-CB 4.31Å; R195-P205 HydrophobicContact CG-CB 4.19Å; R195-P205 VanDerWaalsContact NE-CB 3.3Å; R195-L206 CarbonylContact C-O 3.38Å; R195-L206 WeakPolarHBondContact CA-O 3.28Å; R195-L207 HydrophobicContact CB-CD2 3.79Å; R195-L207 HydrophobicContact CG-CD2 3.76Å
196	L	89.3	Confident	80.2	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	141.8	170.4	-59.7	81.8	0	0	0	109.3	V129 M131 E143 M144 L177 I194 L206 I208	V129-L196 HydrophobicContact CG1-CD2 4.44Å; M131-L196 HydrophobicContact SD-CD2 4.01Å; E143-L196 WeakPolarHBondContact O-CA 3.46Å; M144-L196 HydrophobicContact CE-CD1 4.45Å; M144-L196 HydrophobicContact CE-CD2 3.5Å; M144-L196 HydrophobicContact CE-CG 3.74Å; M144-L196 HydrophobicContact CG-CG 4.4Å; L177-L196 HydrophobicContact CD1-CD2 3.82Å; I194-L196 HydrophobicContact CG2-CD1 4.11Å; L196-L206 HydrophobicContact CB-CB 4.31Å; L196-L206 PolarHBondContact N-O 3.07Å; L196-L206 PolarHBondContact O-N 3.44Å; L196-I208 HydrophobicContact CD1-CD1 3.72Å; L196-I208 HydrophobicContact CD1-CG1 3.83Å
197	K	87.5	Confident	80	Confident	98 Å²	98	62.7 Å²	62.7	43%	0.426	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	141.3	172.2	-162.8	-179.8	178.4	179.9	0	109.5	V141 I142 E143	V141-K197 CarbonylContact C-O 3.53Å; V141-K197 WeakPolarHBondContact CA-O 3.28Å; I142-K197 HydrophobicContact CD1-CD 3.98Å; I142-K197 HydrophobicContact CD1-CG 4.03Å; I142-K197 HydrophobicContact CG1-CB 4.02Å; I142-K197 HydrophobicContact CG1-CD 4.22Å; I142-K197 HydrophobicContact CG1-CG 4.03Å; I142-K197 PolarHBondContact N-O 2.86Å; E143-K197 HydrophobicContact CB-CB 3.63Å; E143-K197 HydrophobicContact CB-CD 4.35Å; E143-K197 PolarHBondContact N-O 2.89Å; E143-K197 PolarHBondContact O-N 2.95Å; E143-K197 WeakPolarHBondContact OE2-CD 3.12Å; E143-K197 IonicContact OE2-NZ 2.78Å
198	T	87.9	Confident	80	Confident	8 Å²	8	58.6 Å²	58.6	5%	0.049	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	165.6	178.1	52.3	0	0	0	0	112	M131 L139 R140 I142 R200 A203	M131-T198 HydrophobicContact CE-CG2 3.99Å; L139-T198 HydrophobicContact CD1-CG2 3.85Å; L139-T198 HydrophobicContact CD2-CG2 4.18Å; L139-T198 HydrophobicContact CG-CG2 4Å; R140-T198 CarbonylContact O-C 3.57Å; R140-T198 VanDerWaalsContact O-CA 3.25Å; R140-T198 WeakPolarHBondContact O-CA 3.29Å; I142-T198 WeakPolarHBondContact CD1-O 3.25Å; T198-R200 PolarHBondContact O-N 3.36Å; T198-A203 WeakPolarHBondContact OG1-CB 3.4Å
199	D	87.1	Confident	80	Confident	64 Å²	64	52.4 Å²	52.4	34%	0.342	28%	0.278	S	S	.	.	S	Bend	trans	-72.7	-8.2	173	62.1	-18.1	0	0	0	114.7	R140 I142	R140-D199 HydrophobicContact CB-CB 4.3Å; R140-D199 VanDerWaalsContact CB-OD2 3.3Å; R140-D199 WeakPolarHBondContact CB-OD2 3.36Å; R140-D199 IonicContact CZ-OD2 3.93Å; R140-D199 PolarHBondContact N-OD1 3.11Å; R140-D199 IonicContact NE-OD2 2.85Å; R140-D199 PolarHBondContact NE-OD2 2.83Å; R140-D199 IonicContact NH2-OD2 3.89Å; R140-D199 PolarHBondContact O-N 2.98Å; I142-D199 HydrophobicContact CG2-CB 3.79Å
200	R	83.6	Confident	80.2	Confident	72 Å²	72	47.2 Å²	47.2	27%	0.272	25%	0.251	S	S	.	.			trans	-68.3	125	167.8	-73.1	-168.4	72.8	112.9	5.4	111.9	Y135 L139 T198 D202 A203	Y135-R200 VanDerWaalsContact CD1-NH1 3.32Å; L139-R200 HydrophobicContact CD1-CG 3.7Å; T198-R200 PolarHBondContact O-N 3.36Å; R200-D202 VanDerWaalsContact C-N 3.33Å; R200-D202 WeakPolarHBondContact CB-OD1 3.42Å; R200-D202 IonicContact CZ-OD1 3.09Å; R200-D202 IonicContact CZ-OD2 3.94Å; R200-D202 IonicContact NE-OD1 2.76Å; R200-D202 PolarHBondContact NE-OD1 2.84Å; R200-D202 IonicContact NE-OD2 3.17Å; R200-D202 VanDerWaalsContact NH2-CG 3.3Å; R200-D202 IonicContact NH2-OD1 2.71Å; R200-D202 PolarHBondContact NH2-OD1 2.69Å; R200-D202 VanDerWaalsContact NH2-OD1 3.1Å; R200-D202 IonicContact NH2-OD2 3.28Å; R200-D202 PolarHBondContact NH2-OD2 2.64Å; R200-A203 HydrophobicContact CB-CB 3.98Å
201	T	63.9	Low	80.5	Confident	151 Å²	151	49.6 Å²	49.6	93%	0.926	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-17.6	176.6	49	0	0	0	0	114.1
202	D	66.1	Low	80.5	Confident	109 Å²	109	45.4 Å²	45.4	58%	0.583	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.7	6.1	179.5	67.6	-38.9	0	0	0	113.8	R200	R200-D202 VanDerWaalsContact C-N 3.33Å; R200-D202 WeakPolarHBondContact CB-OD1 3.42Å; R200-D202 IonicContact CZ-OD1 3.09Å; R200-D202 IonicContact CZ-OD2 3.94Å; R200-D202 IonicContact NE-OD1 2.76Å; R200-D202 PolarHBondContact NE-OD1 2.84Å; R200-D202 IonicContact NE-OD2 3.17Å; R200-D202 VanDerWaalsContact NH2-CG 3.3Å; R200-D202 IonicContact NH2-OD1 2.71Å; R200-D202 PolarHBondContact NH2-OD1 2.69Å; R200-D202 VanDerWaalsContact NH2-OD1 3.1Å; R200-D202 IonicContact NH2-OD2 3.28Å; R200-D202 PolarHBondContact NH2-OD2 2.64Å
203	A	64.7	Low	80.5	Confident	27 Å²	27	47.9 Å²	47.9	22%	0.223	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-101.7	119.2	-178.5	0	0	0	0	0	112	T198 R200	T198-A203 WeakPolarHBondContact OG1-CB 3.4Å; R200-A203 HydrophobicContact CB-CB 3.98Å
204	E	69.1	Low	80.6	Confident	102 Å²	102	44.4 Å²	44.4	48%	0.477	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-58.7	149.3	163.9	-72.2	-179.6	149.7	0	0	110.7	I33 L206	I33-E204 HydrophobicContact CG2-CB 4.26Å; E204-L206 PolarHBondContact O-N 2.75Å
205	P	75.7	Confident	80.4	Confident	44 Å²	44	45.2 Å²	45.2	29%	0.286	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-61.9	129.2	178.2	26.9	-35.5	0	0	0	111.3	R195	R195-P205 HydrophobicContact CG-CB 4.19Å; R195-P205 VanDerWaalsContact NE-CB 3.3Å
206	L	82.8	Confident	80.3	Confident	3 Å²	3	44.2 Å²	44.2	2%	0.016	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	138.9	-179.7	-47	176.6	0	0	0	109.1	I33 Y109 L111 M131 R195 L196 E204	I33-L206 HydrophobicContact CD1-CD2 3.69Å; I33-L206 HydrophobicContact CG1-CD2 3.76Å; Y109-L206 HydrophobicContact CD1-CD1 4.49Å; Y109-L206 HydrophobicContact CD2-CD1 3.57Å; Y109-L206 HydrophobicContact CD2-CD2 3.83Å; Y109-L206 HydrophobicContact CD2-CG 4.38Å; Y109-L206 HydrophobicContact CE2-CD1 3.82Å; Y109-L206 HydrophobicContact CE2-CD2 3.62Å; Y109-L206 HydrophobicContact CE2-CG 4.37Å; Y109-L206 HydrophobicContact CG-CD1 3.94Å; L111-L206 HydrophobicContact CD1-CB 3.84Å; L111-L206 HydrophobicContact CD1-CD1 3.89Å; L111-L206 HydrophobicContact CD1-CG 4.45Å; M131-L206 HydrophobicContact CE-CD1 3.49Å; M131-L206 VanDerWaalsContact CE-CD1 3.49Å; R195-L206 CarbonylContact C-O 3.38Å; R195-L206 WeakPolarHBondContact CA-O 3.28Å; L196-L206 HydrophobicContact CB-CB 4.31Å; L196-L206 PolarHBondContact N-O 3.07Å; L196-L206 PolarHBondContact O-N 3.44Å; E204-L206 PolarHBondContact O-N 2.75Å
207	L	80.8	Confident	80	Confident	27 Å²	27	50.1 Å²	50.1	14%	0.141	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	107.4	-173.5	-69.9	169.5	0	0	0	110	G32 A34 L84 F193 I194 R195 P209	G32-L207 CarbonylContact C-O 3.54Å; G32-L207 WeakPolarHBondContact CA-O 3.33Å; G32-L207 CarbonylContact O-C 3.52Å; G32-L207 PolarHBondContact O-N 2.04Å; G32-L207 VanDerWaalsContact O-O 3.08Å; A34-L207 HydrophobicContact CB-CD1 3.63Å; L84-L207 HydrophobicContact CD1-CB 4.35Å; L84-L207 HydrophobicContact CD2-CB 4.32Å; L84-L207 HydrophobicContact CD2-CD1 4.44Å; F193-L207 HydrophobicContact CD2-CD2 3.49Å; F193-L207 VanDerWaalsContact CD2-CD2 3.49Å; F193-L207 HydrophobicContact CE2-CD2 3.87Å; F193-L207 HydrophobicContact CG-CD2 4.15Å; I194-L207 WeakPolarHBondContact O-CA 3.18Å; R195-L207 HydrophobicContact CB-CD2 3.79Å; R195-L207 HydrophobicContact CG-CD2 3.76Å; L207-P209 VanDerWaalsContact O-CD 3.25Å; L207-P209 WeakPolarHBondContact O-CD 3.38Å
208	I	83.8	Confident	79.6	Confident	5 Å²	5	50 Å²	50	3%	0.026	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	110.6	173.7	-49.8	177.9	0	0	0	107.9	L111 Q112 F114 V129 F193 I194 L196	L111-I208 HydrophobicContact CB-CD1 4.45Å; L111-I208 HydrophobicContact CB-CG1 4.36Å; L111-I208 HydrophobicContact CD1-CD1 4.32Å; L111-I208 HydrophobicContact CD1-CG1 4.07Å; L111-I208 HydrophobicContact CD2-CD1 4.11Å; Q112-I208 VanDerWaalsContact O-CG2 3.3Å; Q112-I208 WeakPolarHBondContact O-CG2 3.46Å; F114-I208 HydrophobicContact CD2-CG2 3.83Å; F114-I208 HydrophobicContact CE2-CG2 4.07Å; V129-I208 HydrophobicContact CG1-CD1 3.64Å; V129-I208 HydrophobicContact CG2-CD1 4.45Å; F193-I208 CarbonylContact C-O 3.54Å; F193-I208 VanDerWaalsContact CA-O 3.28Å; F193-I208 WeakPolarHBondContact CA-O 3.07Å; I194-I208 HydrophobicContact CB-CB 4.19Å; I194-I208 PolarHBondContact N-O 3.26Å; I194-I208 PolarHBondContact O-N 3.34Å; L196-I208 HydrophobicContact CD1-CD1 3.72Å; L196-I208 HydrophobicContact CD1-CG1 3.83Å
209	P	79.7	Confident	79.1	Confident	6 Å²	6	50.1 Å²	50.1	4%	0.039	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	145	177.5	32.4	-37.3	0	0	0	111	F86 P113 F114 L115 L207	F86-P209 HydrophobicContact CD1-CB 3.85Å; F86-P209 HydrophobicContact CD1-CG 3.64Å; F86-P209 HydrophobicContact CE1-CB 3.61Å; F86-P209 HydrophobicContact CE1-CG 3.91Å; F86-P209 HydrophobicContact CG-CG 4.47Å; F86-P209 HydrophobicContact CZ-CB 4.35Å; P113-P209 HydrophobicContact CB-CG 3.58Å; F114-P209 PolarHBondContact N-O 3.22Å; L115-P209 HydrophobicContact CD2-CB 4.19Å; L115-P209 HydrophobicContact CD2-CG 4.07Å; L207-P209 VanDerWaalsContact O-CD 3.25Å; L207-P209 WeakPolarHBondContact O-CD 3.38Å
210	V	83.2	Confident	78.6	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	109.4	-178.3	-175.8	0	0	0	0	108.5	F114 L151 V182 S191 A192 I194 V212	F114-V210 HydrophobicContact CB-CB 4.24Å; F114-V210 HydrophobicContact CB-CG1 4.08Å; F114-V210 HydrophobicContact CB-CG2 4.06Å; F114-V210 HydrophobicContact CG-CG2 4.29Å; L151-V210 HydrophobicContact CD1-CG1 4.5Å; L151-V210 HydrophobicContact CD2-CB 4.22Å; L151-V210 HydrophobicContact CD2-CG1 4.41Å; L151-V210 HydrophobicContact CD2-CG2 3.83Å; V182-V210 HydrophobicContact CG2-CG1 3.7Å; S191-V210 WeakPolarHBondContact CA-O 3.1Å; A192-V210 HydrophobicContact CB-CB 4.35Å; A192-V210 PolarHBondContact N-O 3.45Å; A192-V210 PolarHBondContact O-N 3.33Å; I194-V210 HydrophobicContact CD1-CG2 4.32Å; I194-V210 HydrophobicContact CG1-CG2 4.1Å; V210-V212 HydrophobicContact CG1-CG2 4.14Å
211	E	80.2	Confident	78.2	Confident	63 Å²	63	45.4 Å²	45.4	29%	0.294	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	110.8	177.7	-65.4	-177.9	159.6	0	0	109.1	F114 L115 G116 T190	F114-E211 PolarHBondContact O-N 2.8Å; L115-E211 HydrophobicContact CD2-CB 4.1Å; L115-E211 HydrophobicContact CD2-CG 3.8Å; G116-E211 PolarHBondContact N-O 2.83Å; G116-E211 VanDerWaalsContact N-O 3.07Å; T190-E211 WeakPolarHBondContact O-CA 3Å
212	V	80.5	Confident	78.5	Confident	4 Å²	4	39.6 Å²	39.6	2%	0.024	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	127.3	-179.5	-176	0	0	0	0	109.9	N117 I119 L125 V182 T190 V210	N117-V212 WeakPolarHBondContact O-CA 3.28Å; I119-V212 HydrophobicContact CD1-CG1 3.85Å; I119-V212 HydrophobicContact CG1-CG1 3.75Å; I119-V212 HydrophobicContact CG2-CG1 4.21Å; L125-V212 HydrophobicContact CD2-CG2 4.09Å; V182-V212 HydrophobicContact CB-CG2 4.35Å; V182-V212 HydrophobicContact CG1-CB 4.18Å; V182-V212 HydrophobicContact CG1-CG1 4.29Å; V182-V212 HydrophobicContact CG1-CG2 4.16Å; V182-V212 HydrophobicContact CG2-CG2 4.09Å; T190-V212 PolarHBondContact N-O 3.05Å; T190-V212 PolarHBondContact O-N 2.9Å; V210-V212 HydrophobicContact CG1-CG2 4.14Å
213	E	84.5	Confident	78.6	Confident	61 Å²	61	36 Å²	36	29%	0.285	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	118.9	175.9	172.6	175.2	-172.1	0	0	109.2	N117 R118 I119	N117-E213 PolarHBondContact O-N 3.31Å; R118-E213 WeakPolarHBondContact CA-O 3.05Å; R118-E213 HydrophobicContact CG-CB 4Å; R118-E213 HydrophobicContact CG-CG 4.1Å; R118-E213 WeakPolarHBondContact CG-OE2 3.47Å; R118-E213 IonicContact CZ-OE1 3.73Å; R118-E213 VanDerWaalsContact CZ-OE1 3.28Å; R118-E213 IonicContact CZ-OE2 3.99Å; R118-E213 VanDerWaalsContact CZ-OE2 3.3Å; R118-E213 IonicContact NE-OE1 3.43Å; R118-E213 PolarHBondContact NE-OE1 3.36Å; R118-E213 IonicContact NE-OE2 3.17Å; R118-E213 PolarHBondContact NE-OE2 3.24Å; R118-E213 IonicContact NH2-OE1 2.86Å; R118-E213 PolarHBondContact NH2-OE1 3Å; R118-E213 IonicContact NH2-OE2 2.74Å; R118-E213 PolarHBondContact NH2-OE2 2.77Å; R118-E213 VanDerWaalsContact NH2-OE2 3.07Å; I119-E213 PolarHBondContact N-O 3.47Å
214	V	86.1	Confident	78.6	Confident	4 Å²	4	36.5 Å²	36.5	2%	0.024	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	114.5	179	-171.1	0	0	0	0	109.5	I119 R186 V187 K188	I119-V214 HydrophobicContact CD1-CG2 4.12Å; I119-V214 HydrophobicContact CG1-CB 4.44Å; I119-V214 HydrophobicContact CG1-CG1 4.37Å; I119-V214 HydrophobicContact CG1-CG2 3.94Å; I119-V214 WeakPolarHBondContact O-CA 3.4Å; R186-V214 WeakPolarHBondContact O-CB 3.45Å; R186-V214 VanDerWaalsContact O-CG1 3.28Å; R186-V214 WeakPolarHBondContact O-CG1 3.31Å; V187-V214 WeakPolarHBondContact CG1-O 3.32Å; K188-V214 WeakPolarHBondContact O-CB 3.45Å; K188-V214 WeakPolarHBondContact O-CG2 3.41Å; K188-V214 PolarHBondContact O-N 2.82Å
215	T	84.9	Confident	78.3	Confident	16 Å²	16	38.1 Å²	38.1	10%	0.098	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	151.5	-179.8	-179.2	0	0	0	0	112.1	I119 S120 L121 E217 F221	I119-T215 PolarHBondContact O-N 2.89Å; S120-T215 CarbonylContact C-O 3.56Å; S120-T215 VanDerWaalsContact CA-O 3.31Å; S120-T215 WeakPolarHBondContact CA-O 3.45Å; L121-T215 PolarHBondContact N-O 3.14Å; T215-E217 HydrophobicContact CG2-CB 4.32Å; T215-E217 WeakPolarHBondContact OG1-CB 3.39Å; T215-E217 VanDerWaalsContact OG1-CG 3.28Å; T215-E217 WeakPolarHBondContact OG1-CG 3.35Å; T215-E217 PolarHBondContact OG1-N 2.92Å; T215-E217 VanDerWaalsContact OG1-N 3.13Å; T215-E217 PolarHBondContact OG1-OE2 3.34Å; T215-F221 HydrophobicContact CG2-CE1 3.38Å; T215-F221 HydrophobicContact CG2-CZ 3.5Å; T215-F221 VanDerWaalsContact CG2-CZ 3.5Å
216	A	84.7	Confident	77.8	Confident	65 Å²	65	37.2 Å²	37.2	54%	0.537	21%	0.205	S	C	.	.			trans	-90.7	-1.5	170.6	0	0	0	0	0	113.3	V187	V187-A216 HydrophobicContact CG2-CB 3.75Å
217	E	83.3	Confident	76.9	Confident	123 Å²	123	37.1 Å²	37.1	58%	0.575	21%	0.205	S	C	*	.			trans	-63.6	140	177.8	-65.9	162	140.7	0	0	111.5	T215 F221	T215-E217 HydrophobicContact CG2-CB 4.32Å; T215-E217 WeakPolarHBondContact OG1-CB 3.39Å; T215-E217 VanDerWaalsContact OG1-CG 3.28Å; T215-E217 WeakPolarHBondContact OG1-CG 3.35Å; T215-E217 PolarHBondContact OG1-N 2.92Å; T215-E217 VanDerWaalsContact OG1-N 3.13Å; T215-E217 PolarHBondContact OG1-OE2 3.34Å; E217-F221 VanDerWaalsContact O-CE2 3.31Å; E217-F221 WeakPolarHBondContact O-CE2 3.44Å; E217-F221 WeakPolarHBondContact O-CZ 3.35Å
218	T	79.9	Confident	76	Confident	97 Å²	97	39.1 Å²	39.1	60%	0.595	22%	0.215	S	C	*	.			trans	-82.9	141	170	51.1	0	0	0	0	110.3	T248	T218-T248 WeakPolarHBondContact CA-OG1 3.43Å; T218-T248 WeakPolarHBondContact CG2-O 3.45Å
219	G	77.5	Confident	74.9	Confident	9 Å²	9	39.4 Å²	39.4	9%	0.093	22%	0.216	C	C	.	.	S	Bend	trans	175.7	-165	-169.2	0	0	0	0	0	113.9	T248	G219-T248 PolarHBondContact N-OG1 3.44Å; G219-T248 PolarHBondContact O-N 2.82Å; G219-T248 PolarHBondContact O-OG1 3.35Å
220	I	75.7	Confident	73.6	Confident	18 Å²	18	40.1 Å²	40.1	9%	0.092	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	106.3	175.6	-60.1	166.5	0	0	0	107.4	P222 V245 F246 F249 V253 F291 V298	I220-P222 VanDerWaalsContact O-CD 3.32Å; I220-P222 WeakPolarHBondContact O-CD 3.39Å; I220-V245 HydrophobicContact CG2-CB 3.98Å; I220-V245 HydrophobicContact CG2-CG1 4.37Å; I220-V245 HydrophobicContact CG2-CG2 4.45Å; I220-F246 CarbonylContact C-O 3.55Å; I220-F246 VanDerWaalsContact CA-O 3.32Å; I220-F246 WeakPolarHBondContact CA-O 3.47Å; I220-F249 HydrophobicContact CD1-CE2 4.41Å; I220-F249 HydrophobicContact CG1-CD2 4.37Å; I220-F249 HydrophobicContact CG1-CE2 4.03Å; I220-V253 HydrophobicContact CD1-CG1 3.89Å; I220-V253 HydrophobicContact CD1-CG2 4.39Å; I220-F291 HydrophobicContact CD1-CD1 3.75Å; I220-F291 HydrophobicContact CD1-CD2 3.54Å; I220-F291 HydrophobicContact CD1-CE1 3.75Å; I220-F291 HydrophobicContact CD1-CE2 3.57Å; I220-F291 HydrophobicContact CD1-CG 3.63Å; I220-F291 HydrophobicContact CD1-CZ 3.68Å; I220-F291 HydrophobicContact CG2-CE1 4.43Å; I220-F291 HydrophobicContact CG2-CE2 4.48Å; I220-F291 HydrophobicContact CG2-CZ 3.94Å; I220-V298 HydrophobicContact CB-CG2 3.98Å; I220-V298 HydrophobicContact CG2-CG2 4.11Å
221	F	75.1	Confident	72.1	Confident	20 Å²	20	43.7 Å²	43.7	9%	0.088	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	107.2	-171.7	-71.2	-83.3	0	0	0	110.9	R118 T215 E217 F246 T248	R118-F221 HydrophobicContact CB-CD1 4.23Å; R118-F221 HydrophobicContact CB-CE1 4.49Å; T215-F221 HydrophobicContact CG2-CE1 3.38Å; T215-F221 HydrophobicContact CG2-CZ 3.5Å; T215-F221 VanDerWaalsContact CG2-CZ 3.5Å; E217-F221 VanDerWaalsContact O-CE2 3.31Å; E217-F221 WeakPolarHBondContact O-CE2 3.44Å; E217-F221 WeakPolarHBondContact O-CZ 3.35Å; F221-F246 HydrophobicContact CB-CB 4.44Å; F221-F246 PolarHBondContact N-O 2.97Å; F221-F246 PolarHBondContact O-N 2.98Å; F221-T248 HydrophobicContact CD2-CG2 4.06Å; F221-T248 HydrophobicContact CE2-CG2 4.45Å; F221-T248 WeakPolarHBondContact CE2-OG1 3.4Å
222	P	71.3	Confident	70.7	Confident	28 Å²	28	41.3 Å²	41.3	18%	0.182	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	141.9	172.8	29.7	-33.3	0	0	0	111.9	I220 V224 V245 V298 F300	I220-P222 VanDerWaalsContact O-CD 3.32Å; I220-P222 WeakPolarHBondContact O-CD 3.39Å; P222-V224 PolarHBondContact O-N 3.28Å; P222-V245 HydrophobicContact CB-CG1 4.15Å; P222-V298 HydrophobicContact CG-CG1 4.23Å; P222-F300 HydrophobicContact CB-CE1 3.43Å; P222-F300 VanDerWaalsContact CB-CE1 3.43Å; P222-F300 HydrophobicContact CB-CZ 3.76Å; P222-F300 HydrophobicContact CG-CE1 3.91Å; P222-F300 HydrophobicContact CG-CZ 4.25Å
223	M	66.8	Low	69.3	Low	34 Å²	34	42.7 Å²	42.7	17%	0.167	25%	0.252	C	S	.	.	S	Bend	trans	-65.3	-14.8	171	-78.6	-164.4	175	0	0	113.9	L125 N244 F246	L125-M223 HydrophobicContact CD1-CB 3.9Å; L125-M223 HydrophobicContact CD1-CG 4.06Å; L125-M223 VanDerWaalsContact CD1-O 3.26Å; L125-M223 WeakPolarHBondContact CD1-O 3.4Å; M223-N244 HydrophobicContact CB-CB 4.25Å; M223-N244 HydrophobicContact CG-CB 3.94Å; M223-N244 PolarHBondContact N-O 2.91Å; M223-N244 HydrophobicContact SD-CB 3.79Å; M223-F246 HydrophobicContact CE-CE2 3.46Å; M223-F246 VanDerWaalsContact CE-CE2 3.46Å; M223-F246 HydrophobicContact CE-CZ 3.38Å; M223-F246 HydrophobicContact CG-CD2 4.48Å; M223-F246 HydrophobicContact CG-CE2 3.87Å
224	V	66.1	Low	67.6	Low	38 Å²	38	41.7 Å²	41.7	23%	0.23	25%	0.247	C	C	.	.			trans	-133	132.4	-176.2	-65.7	0	0	0	0	112.1	P222 A226 F241 V243	P222-V224 PolarHBondContact O-N 3.28Å; V224-A226 VanDerWaalsContact C-N 3.29Å; V224-A226 PolarHBondContact O-N 2.58Å; V224-F241 HydrophobicContact CG1-CZ 4.46Å; V224-F241 HydrophobicContact CG2-CE1 4.16Å; V224-V243 HydrophobicContact CG2-CG1 4.31Å
225	K	62.4	Low	66	Low	135 Å²	135	44.4 Å²	44.4	59%	0.587	27%	0.266	S	S	*	.	S	Bend	trans	-71.5	-22.5	174.6	-157.2	-171.4	-157.9	158.5	0	113.6	G116 P301	G116-K225 WeakPolarHBondContact O-CD 3.32Å; G116-K225 WeakPolarHBondContact O-CE 3.42Å; G116-K225 PolarHBondContact O-NZ 3.43Å; K225-P301 VanDerWaalsContact O-CD 3.3Å; K225-P301 WeakPolarHBondContact O-CD 3.38Å
226	A	63.8	Low	64.4	Low	26 Å²	26	45.1 Å²	45.1	22%	0.215	28%	0.277	C	S	.	.	S	Bend	trans	-149.9	149.9	-177.6	0	0	0	0	0	110.1	V224 P301	V224-A226 VanDerWaalsContact C-N 3.29Å; V224-A226 PolarHBondContact O-N 2.58Å; A226-P301 WeakPolarHBondContact CA-O 3.32Å; A226-P301 HydrophobicContact CB-CG 3.94Å; A226-P301 WeakPolarHBondContact CB-O 3.5Å
227	V	65.3	Low	62.8	Low	1 Å²	1	48.2 Å²	48.2	1%	0.006	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	105	172.7	174.8	0	0	0	0	108	F229 F241 V243 F300 P301 I302 R303	V227-F229 HydrophobicContact CG1-CD2 4.32Å; V227-F229 HydrophobicContact CG1-CE2 3.78Å; V227-F229 HydrophobicContact CG1-CZ 4.02Å; V227-F241 HydrophobicContact CG1-CB 3.91Å; V227-F241 HydrophobicContact CG1-CD1 3.92Å; V227-F241 HydrophobicContact CG1-CD2 4.09Å; V227-F241 HydrophobicContact CG1-CE1 4.5Å; V227-F241 HydrophobicContact CG1-CG 3.71Å; V227-F241 HydrophobicContact CG2-CD1 4.34Å; V227-F241 HydrophobicContact CG2-CE1 4.49Å; V227-V243 HydrophobicContact CG2-CG2 3.63Å; V227-F300 HydrophobicContact CG2-CB 4.48Å; V227-P301 PolarHBondContact N-O 2.79Å; V227-I302 HydrophobicContact CB-CG1 4.25Å; V227-I302 CarbonylContact O-C 3.6Å; V227-I302 WeakPolarHBondContact O-CA 3.32Å; V227-R303 PolarHBondContact O-N 2.9Å
228	D	60.8	Low	61.3	Low	68 Å²	68	44.3 Å²	44.3	36%	0.364	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	112.8	179.7	-167.1	-4.5	0	0	0	110.6	G230 R303	D228-G230 PolarHBondContact O-N 3.39Å; D228-G230 WeakPolarHBondContact OD1-CA 3.44Å; D228-G230 PolarHBondContact OD1-N 3.39Å; D228-R303 WeakPolarHBondContact CA-O 3.45Å; D228-R303 HydrophobicContact CB-CB 4.25Å
229	F	60.7	Low	60	Low	11 Å²	11	46.6 Å²	46.6	5%	0.048	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	-8.9	173.8	-69	-84.5	0	0	0	112.8	V227 V232 R239 F241 F262 I302 R303	V227-F229 HydrophobicContact CG1-CD2 4.32Å; V227-F229 HydrophobicContact CG1-CE2 3.78Å; V227-F229 HydrophobicContact CG1-CZ 4.02Å; F229-V232 HydrophobicContact CB-CG2 3.83Å; F229-R239 HydrophobicContact CD1-CB 4.18Å; F229-R239 PolarHBondContact O-NH1 3.4Å; F229-F241 HydrophobicContact CE1-CB 4.21Å; F229-F262 HydrophobicContact CD2-CB 4.41Å; F229-F262 HydrophobicContact CE1-CB 4.44Å; F229-F262 HydrophobicContact CE2-CB 4.27Å; F229-F262 HydrophobicContact CZ-CB 4.29Å; F229-I302 HydrophobicContact CD2-CG2 3.82Å; F229-I302 HydrophobicContact CE2-CD1 4.17Å; F229-I302 HydrophobicContact CE2-CG1 4.25Å; F229-I302 HydrophobicContact CE2-CG2 3.79Å; F229-R303 PolarHBondContact N-O 3.35Å
230	G	53.9	Low	59.1	Low	22 Å²	22	53.3 Å²	53.3	23%	0.227	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	68	-148.4	-175.9	0	0	0	0	0	112.2	D228 V232 N305	D228-G230 PolarHBondContact O-N 3.39Å; D228-G230 WeakPolarHBondContact OD1-CA 3.44Å; D228-G230 PolarHBondContact OD1-N 3.39Å; G230-V232 PolarHBondContact O-N 3.37Å; G230-N305 PolarHBondContact O-N 3.3Å
231	S	50.5	Low	58.3	Low	74 Å²	74	56.2 Å²	56.2	52%	0.517	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	115.2	172	-61.9	0	0	0	0	111.2	N305	S231-N305 CarbonylContact C-O 3.54Å; S231-N305 VanDerWaalsContact CA-O 3.31Å; S231-N305 WeakPolarHBondContact CA-O 3.41Å
232	V	50.6	Low	57.7	Low	13 Å²	13	61.9 Å²	61.9	8%	0.079	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	123.1	175	-174.7	0	0	0	0	109.3	F229 G230 F262 P264 N305 V307	F229-V232 HydrophobicContact CB-CG2 3.83Å; G230-V232 PolarHBondContact O-N 3.37Å; V232-F262 HydrophobicContact CB-CD1 4.42Å; V232-F262 HydrophobicContact CB-CE1 4.17Å; V232-F262 HydrophobicContact CG1-CD1 4.13Å; V232-F262 HydrophobicContact CG1-CE1 4.08Å; V232-F262 HydrophobicContact CG2-CD1 4.33Å; V232-F262 HydrophobicContact CG2-CE1 4.45Å; V232-P264 HydrophobicContact CG1-CG 3.9Å; V232-N305 PolarHBondContact N-O 2.88Å; V232-V307 PolarHBondContact O-N 3.15Å; V232-V307 VanDerWaalsContact O-N 3.14Å
233	A	51	Low	57.5	Low	34 Å²	34	62.4 Å²	62.4	28%	0.281	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	146.5	170.8	0	0	0	0	0	110.4	S235 G236 V307	A233-S235 PolarHBondContact O-N 2.82Å; A233-G236 WeakPolarHBondContact O-CA 3.34Å; A233-G236 PolarHBondContact O-N 2.94Å; A233-V307 WeakPolarHBondContact CA-O 3.31Å
234	Q	50.4	Low	57.6	Low	40 Å²	40	65.3 Å²	65.3	19%	0.187	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-33.2	-174.8	-164.3	-174.9	9.6	0	0	113.4	G236 P264 Y273	Q234-G236 PolarHBondContact O-N 3.34Å; Q234-P264 HydrophobicContact CB-CB 4.27Å; Q234-P264 HydrophobicContact CG-CB 3.88Å; Q234-Y273 VanDerWaalsContact OE1-CZ 3.28Å; Q234-Y273 PolarHBondContact OE1-OH 2.88Å
235	S	51	Low	58	Low	60 Å²	60	65.7 Å²	65.7	42%	0.42	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	13	174.7	70.1	0	0	0	0	114.1	A233 P337	A233-S235 PolarHBondContact O-N 2.82Å; S235-P337 WeakPolarHBondContact CB-O 3.45Å
236	G	52.1	Low	58.6	Low	32 Å²	32	63.6 Å²	63.6	33%	0.33	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-79.1	138.3	-177.7	0	0	0	0	0	112	A233 Q234 S238	A233-G236 WeakPolarHBondContact O-CA 3.34Å; A233-G236 PolarHBondContact O-N 2.94Å; Q234-G236 PolarHBondContact O-N 3.34Å; G236-S238 PolarHBondContact O-N 3.42Å
237	T	50.7	Low	59.3	Low	130 Å²	130	65.5 Å²	65.5	80%	0.798	36%	0.358	S	S	*	.	P	Polyproline II helix	trans	-59.4	134.6	163.9	49.9	0	0	0	0	109.5	R239	T237-R239 PolarHBondContact O-N 2.96Å; T237-R239 VanDerWaalsContact O-N 3.13Å
238	S	51.5	Low	60	Low	40 Å²	40	67.3 Å²	67.3	28%	0.28	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-48.7	121.9	176.3	-177.4	0	0	0	0	110.2	G236 F262	G236-S238 PolarHBondContact O-N 3.42Å; S238-F262 PolarHBondContact OG-N 2.86Å
239	R	52.9	Low	60.9	Low	146 Å²	146	66.6 Å²	66.6	55%	0.551	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-78.1	149.3	170.2	-74.9	-178.1	171.7	165.3	-1.3	109.4	F229 T237	F229-R239 HydrophobicContact CD1-CB 4.18Å; F229-R239 PolarHBondContact O-NH1 3.4Å; T237-R239 PolarHBondContact O-N 2.96Å; T237-R239 VanDerWaalsContact O-N 3.13Å
240	W	57.6	Low	61.7	Low	150 Å²	150	72.2 Å²	72.2	57%	0.568	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-97.8	150.4	168.8	-51.6	110.7	0	0	0	108.9	R259 T261	W240-R259 HydrophobicContact CE3-CG 4.27Å; W240-R259 HydrophobicContact CH2-CG 4.19Å; W240-R259 HydrophobicContact CZ3-CG 3.5Å; W240-R259 VanDerWaalsContact CZ3-CG 3.5Å; W240-T261 HydrophobicContact CE3-CG2 4.47Å; W240-T261 HydrophobicContact CH2-CG2 3.58Å; W240-T261 HydrophobicContact CZ3-CG2 3.39Å
241	F	59.9	Low	62.9	Low	79 Å²	79	78.3 Å²	78.3	35%	0.346	43%	0.426	S	S	.	.			trans	-138.5	116	174.3	-168.5	-69.2	0	0	0	108.2	V224 V227 F229 V243	V224-F241 HydrophobicContact CG1-CZ 4.46Å; V224-F241 HydrophobicContact CG2-CE1 4.16Å; V227-F241 HydrophobicContact CG1-CB 3.91Å; V227-F241 HydrophobicContact CG1-CD1 3.92Å; V227-F241 HydrophobicContact CG1-CD2 4.09Å; V227-F241 HydrophobicContact CG1-CE1 4.5Å; V227-F241 HydrophobicContact CG1-CG 3.71Å; V227-F241 HydrophobicContact CG2-CD1 4.34Å; V227-F241 HydrophobicContact CG2-CE1 4.49Å; F229-F241 HydrophobicContact CE1-CB 4.21Å; F241-V243 HydrophobicContact CD1-CG2 3.98Å; F241-V243 HydrophobicContact CE1-CG2 4.46Å; F241-V243 PolarHBondContact O-N 2.82Å
242	D	63.1	Low	64.2	Low	139 Å²	139	79.9 Å²	79.9	74%	0.743	43%	0.434	S	S	*	.			trans	-82.8	112	-177.3	-58.7	-49.2	0	0	0	110.3	N244	D242-N244 PolarHBondContact O-N 2.93Å
243	V	66.1	Low	65.4	Low	39 Å²	39	80.6 Å²	80.6	24%	0.236	44%	0.439	C	S	.	.			trans	-92.6	91.3	-179.1	-175	0	0	0	0	109.7	V224 V227 F241 V245 F300	V224-V243 HydrophobicContact CG2-CG1 4.31Å; V227-V243 HydrophobicContact CG2-CG2 3.63Å; F241-V243 HydrophobicContact CD1-CG2 3.98Å; F241-V243 HydrophobicContact CE1-CG2 4.46Å; F241-V243 PolarHBondContact O-N 2.82Å; V243-V245 HydrophobicContact CG1-CG1 4.33Å; V243-V245 PolarHBondContact O-N 2.8Å; V243-F300 HydrophobicContact CG1-CD1 4.3Å; V243-F300 HydrophobicContact CG1-CE1 3.56Å; V243-F300 HydrophobicContact CG1-CE2 4.39Å; V243-F300 HydrophobicContact CG1-CZ 3.62Å
244	N	69.9	Low	66.2	Low	95 Å²	95	89 Å²	89	51%	0.508	46%	0.463	S	S	.	.			trans	-66.7	125.2	174.2	-69	-28.2	0	0	0	110.8	M223 D242	M223-N244 HydrophobicContact CB-CB 4.25Å; M223-N244 HydrophobicContact CG-CB 3.94Å; M223-N244 PolarHBondContact N-O 2.91Å; M223-N244 HydrophobicContact SD-CB 3.79Å; D242-N244 PolarHBondContact O-N 2.93Å
245	V	73.5	Confident	66.9	Low	46 Å²	46	90.3 Å²	90.3	28%	0.279	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	138.4	175.1	-66.3	0	0	0	0	110.4	I220 P222 V243 L289 F300	I220-V245 HydrophobicContact CG2-CB 3.98Å; I220-V245 HydrophobicContact CG2-CG1 4.37Å; I220-V245 HydrophobicContact CG2-CG2 4.45Å; P222-V245 HydrophobicContact CB-CG1 4.15Å; V243-V245 HydrophobicContact CG1-CG1 4.33Å; V243-V245 PolarHBondContact O-N 2.8Å; V245-L289 HydrophobicContact CG1-CD1 4.49Å; V245-F300 HydrophobicContact CG1-CZ 4.31Å
246	F	75.8	Confident	67.3	Low	90 Å²	90	91.3 Å²	91.3	40%	0.395	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	127.5	172.2	-67.5	-72.2	0	0	0	110.3	I220 F221 M223	I220-F246 CarbonylContact C-O 3.55Å; I220-F246 VanDerWaalsContact CA-O 3.32Å; I220-F246 WeakPolarHBondContact CA-O 3.47Å; F221-F246 HydrophobicContact CB-CB 4.44Å; F221-F246 PolarHBondContact N-O 2.97Å; F221-F246 PolarHBondContact O-N 2.98Å; M223-F246 HydrophobicContact CE-CE2 3.46Å; M223-F246 VanDerWaalsContact CE-CE2 3.46Å; M223-F246 HydrophobicContact CE-CZ 3.38Å; M223-F246 HydrophobicContact CG-CD2 4.48Å; M223-F246 HydrophobicContact CG-CE2 3.87Å
247	N	78.9	Confident	67.3	Low	66 Å²	66	97.3 Å²	97.3	35%	0.353	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	128.7	165.4	179.7	28.8	0	0	0	109.4	F249 E251 V253	N247-F249 WeakPolarHBondContact OD1-CB 3.25Å; N247-F249 WeakPolarHBondContact OD1-CD2 3.29Å; N247-F249 PolarHBondContact OD1-N 3.45Å; N247-E251 PolarHBondContact ND2-O 2.89Å; N247-V253 WeakPolarHBondContact OD1-CG2 3.18Å
248	T	79.4	Confident	67.4	Low	39 Å²	39	93.8 Å²	93.8	24%	0.239	49%	0.486	C	S	.	.			trans	-119.8	10.5	171.2	65	0	0	0	0	113.5	T218 G219 F221	T218-T248 WeakPolarHBondContact CA-OG1 3.43Å; T218-T248 WeakPolarHBondContact CG2-O 3.45Å; G219-T248 PolarHBondContact N-OG1 3.44Å; G219-T248 PolarHBondContact O-N 2.82Å; G219-T248 PolarHBondContact O-OG1 3.35Å; F221-T248 HydrophobicContact CD2-CG2 4.06Å; F221-T248 HydrophobicContact CE2-CG2 4.45Å; F221-T248 WeakPolarHBondContact CE2-OG1 3.4Å
249	F	78.6	Confident	67.4	Low	54 Å²	54	101 Å²	101	24%	0.237	51%	0.507	C	S	.	.	S	Bend	trans	-70.3	152.6	163.1	-62.6	-65.8	0	0	0	110.8	I220 N247 E251 V253 L295	I220-F249 HydrophobicContact CD1-CE2 4.41Å; I220-F249 HydrophobicContact CG1-CD2 4.37Å; I220-F249 HydrophobicContact CG1-CE2 4.03Å; N247-F249 WeakPolarHBondContact OD1-CB 3.25Å; N247-F249 WeakPolarHBondContact OD1-CD2 3.29Å; N247-F249 PolarHBondContact OD1-N 3.45Å; F249-E251 PolarHBondContact O-N 3.01Å; F249-V253 HydrophobicContact CD2-CG2 3.79Å; F249-L295 HydrophobicContact CD2-CD2 4.24Å; F249-L295 HydrophobicContact CE1-CD2 4.45Å; F249-L295 HydrophobicContact CE2-CD2 3.78Å; F249-L295 HydrophobicContact CZ-CD2 3.9Å
250	S	78.6	Confident	67.4	Low	129 Å²	129	96.9 Å²	96.9	90%	0.902	50%	0.495	S	S	*	.	S	Bend	trans	-67.5	-17.2	172.8	49.1	0	0	0	0	113.6
251	E	79.5	Confident	67.1	Low	149 Å²	149	93.9 Å²	93.9	70%	0.696	49%	0.494	S	S	*	.	S	Bend	trans	-104.8	149	179.7	-67	-176.3	-177.6	0	0	111.8	N247 F249 V253	N247-E251 PolarHBondContact ND2-O 2.89Å; F249-E251 PolarHBondContact O-N 3.01Å; E251-V253 PolarHBondContact O-N 2.95Å
252	P	78	Confident	66.5	Low	107 Å²	107	91.1 Å²	91.1	70%	0.695	48%	0.482	S	S	*	.	P	Polyproline II helix	trans	-70.9	118.4	176.1	29.1	-34	0	0	0	111.3
253	V	74	Confident	66	Low	29 Å²	29	87 Å²	87	18%	0.176	46%	0.464	C	S	.	.	P	Polyproline II helix	trans	-84.8	122	177.1	-179.9	0	0	0	0	111.5	I220 N247 F249 E251 V255 F291 L295	I220-V253 HydrophobicContact CD1-CG1 3.89Å; I220-V253 HydrophobicContact CD1-CG2 4.39Å; N247-V253 WeakPolarHBondContact OD1-CG2 3.18Å; F249-V253 HydrophobicContact CD2-CG2 3.79Å; E251-V253 PolarHBondContact O-N 2.95Å; V253-V255 PolarHBondContact O-N 3.15Å; V253-F291 HydrophobicContact CG1-CB 3.84Å; V253-F291 HydrophobicContact CG1-CD1 3.52Å; V253-F291 HydrophobicContact CG1-CE1 4.41Å; V253-F291 HydrophobicContact CG1-CG 3.9Å; V253-L295 HydrophobicContact CB-CD1 4.24Å; V253-L295 HydrophobicContact CG1-CD1 3.68Å; V253-L295 HydrophobicContact CG2-CD1 3.62Å
254	W	69.6	Low	65.3	Low	209 Å²	209	85.4 Å²	85.4	79%	0.792	46%	0.455	S	S	*	.	P	Polyproline II helix	trans	-72.5	117.5	169.1	-64.6	96.8	0	0	0	111.2
255	V	63.4	Low	64.4	Low	69 Å²	69	84 Å²	84	42%	0.418	46%	0.456	S	S	.	.	B	Isolated β-bridge	trans	-99.9	119.3	178	-171.9	0	0	0	0	109.6	V253 L257 F291	V253-V255 PolarHBondContact O-N 3.15Å; V255-L257 PolarHBondContact O-N 3.01Å; V255-F291 HydrophobicContact CB-CD1 4.41Å; V255-F291 HydrophobicContact CB-CE1 4.2Å; V255-F291 HydrophobicContact CG1-CD1 4.41Å; V255-F291 HydrophobicContact CG1-CE1 3.84Å; V255-F291 HydrophobicContact CG2-CD1 4.07Å; V255-F291 HydrophobicContact CG2-CE1 3.8Å
256	T	60.4	Low	63.4	Low	81 Å²	81	86.6 Å²	86.6	50%	0.497	48%	0.476	S	S	.	.			trans	-74.6	112.1	168.3	53.4	0	0	0	0	108.9	A258 T290	T256-A258 PolarHBondContact O-N 2.91Å; T256-T290 PolarHBondContact OG1-O 2.97Å; T256-T290 PolarHBondContact OG1-OG1 3.19Å
257	L	51.8	Low	62.2	Low	157 Å²	157	85.3 Å²	85.3	82%	0.822	48%	0.479	S	S	*	.			trans	-78.7	83.9	-167.9	-159.7	151.8	0	0	0	111.3	V255 R259	V255-L257 PolarHBondContact O-N 3.01Å; L257-R259 PolarHBondContact O-N 2.84Å; L257-R259 VanDerWaalsContact O-N 3.09Å
258	A	52.7	Low	60.7	Low	57 Å²	57	83.4 Å²	83.4	47%	0.471	47%	0.47	S	S	.	.			trans	-70.3	99.6	176.7	0	0	0	0	0	111	T256 L260 L289	T256-A258 PolarHBondContact O-N 2.91Å; A258-L260 PolarHBondContact O-N 3.43Å; A258-L289 HydrophobicContact CB-CD2 4.1Å
259	R	51.6	Low	59.2	Low	191 Å²	191	90.2 Å²	90.2	72%	0.721	50%	0.499	S	S	*	.			trans	-68.9	94.5	172.3	175.6	175.2	-85.9	-179.5	-4.8	110	W240 L257 T261	W240-R259 HydrophobicContact CE3-CG 4.27Å; W240-R259 HydrophobicContact CH2-CG 4.19Å; W240-R259 HydrophobicContact CZ3-CG 3.5Å; W240-R259 VanDerWaalsContact CZ3-CG 3.5Å; L257-R259 PolarHBondContact O-N 2.84Å; L257-R259 VanDerWaalsContact O-N 3.09Å; R259-T261 PolarHBondContact O-N 3.1Å
260	L	53.1	Low	57.7	Low	59 Å²	59	95 Å²	95	31%	0.309	53%	0.527	S	S	.	.			trans	-71.8	119.1	175.9	-62.1	175.4	0	0	0	110.8	A258 P287	A258-L260 PolarHBondContact O-N 3.43Å; L260-P287 HydrophobicContact CD1-CB 4.08Å; L260-P287 HydrophobicContact CD1-CG 3.88Å; L260-P287 HydrophobicContact CD2-CB 3.59Å; L260-P287 HydrophobicContact CD2-CG 4.14Å
261	T	50.4	Low	55.9	Low	88 Å²	88	97.1 Å²	97.1	54%	0.54	52%	0.523	S	S	.	.			trans	-109.7	141.5	167.1	46.2	0	0	0	0	109.9	W240 R259	W240-T261 HydrophobicContact CE3-CG2 4.47Å; W240-T261 HydrophobicContact CH2-CG2 3.58Å; W240-T261 HydrophobicContact CZ3-CG2 3.39Å; R259-T261 PolarHBondContact O-N 3.1Å
262	F	48.9	Very low	54.4	Low	20 Å²	20	92.3 Å²	92.3	9%	0.088	51%	0.505	C	S	.	.			trans	-112	106.1	164.8	-179.9	-111.5	0	0	0	108.4	F229 V232 S238 P264 L283 T304 L306	F229-F262 HydrophobicContact CD2-CB 4.41Å; F229-F262 HydrophobicContact CE1-CB 4.44Å; F229-F262 HydrophobicContact CE2-CB 4.27Å; F229-F262 HydrophobicContact CZ-CB 4.29Å; V232-F262 HydrophobicContact CB-CD1 4.42Å; V232-F262 HydrophobicContact CB-CE1 4.17Å; V232-F262 HydrophobicContact CG1-CD1 4.13Å; V232-F262 HydrophobicContact CG1-CE1 4.08Å; V232-F262 HydrophobicContact CG2-CD1 4.33Å; V232-F262 HydrophobicContact CG2-CE1 4.45Å; S238-F262 PolarHBondContact OG-N 2.86Å; F262-P264 HydrophobicContact CD1-CG 4.25Å; F262-P264 HydrophobicContact CE1-CB 4.47Å; F262-P264 HydrophobicContact CE1-CG 3.86Å; F262-L283 HydrophobicContact CE2-CD2 4.12Å; F262-T304 HydrophobicContact CE1-CG2 4.18Å; F262-T304 WeakPolarHBondContact CE1-OG1 3.43Å; F262-T304 HydrophobicContact CE2-CG2 3.97Å; F262-T304 HydrophobicContact CZ-CG2 3.74Å; F262-L306 HydrophobicContact CE1-CD2 4.25Å; F262-L306 HydrophobicContact CZ-CD2 4.12Å
263	S	52.7	Low	52.3	Low	53 Å²	53	90.5 Å²	90.5	37%	0.371	49%	0.485	S	S	.	.			trans	-101.6	110.5	171.8	-178.8	0	0	0	0	109	A265 S266	S263-A265 PolarHBondContact O-N 3.49Å; S263-S266 PolarHBondContact O-OG 3.06Å; S263-S266 VanDerWaalsContact O-OG 3.05Å
264	P	51.6	Low	50.3	Low	6 Å²	6	94.8 Å²	94.8	4%	0.039	51%	0.511	C	S	.	.	S	Bend	trans	-62	-30.1	175.8	-22.3	33.1	0	0	0	112.6	V232 Q234 F262 S266 S267	V232-P264 HydrophobicContact CG1-CG 3.9Å; Q234-P264 HydrophobicContact CB-CB 4.27Å; Q234-P264 HydrophobicContact CG-CB 3.88Å; F262-P264 HydrophobicContact CD1-CG 4.25Å; F262-P264 HydrophobicContact CE1-CB 4.47Å; F262-P264 HydrophobicContact CE1-CG 3.86Å; P264-S266 PolarHBondContact O-N 3.42Å; P264-S267 PolarHBondContact O-N 3.46Å
265	A	50.8	Low	48.4	Very low	65 Å²	65	86.8 Å²	86.8	54%	0.537	49%	0.493	S	S	.	.	G	3₁₀ helix	trans	-63.1	-39.9	-176.7	0	0	0	0	0	112.7	S263 S267 C268	S263-A265 PolarHBondContact O-N 3.49Å; A265-S267 PolarHBondContact O-N 2.99Å; A265-C268 PolarHBondContact O-N 2.89Å
266	S	51.7	Low	46.6	Very low	100 Å²	100	93.3 Å²	93.3	70%	0.699	52%	0.517	S	S	*	.	G	3₁₀ helix	trans	-73.4	-8.7	179.3	48	0	0	0	0	114.3	S263 P264	S263-S266 PolarHBondContact O-OG 3.06Å; S263-S266 VanDerWaalsContact O-OG 3.05Å; P264-S266 PolarHBondContact O-N 3.42Å
267	S	51	Low	44.9	Very low	64 Å²	64	93.9 Å²	93.9	45%	0.448	52%	0.524	S	S	.	.	G	3₁₀ helix	trans	-98.6	-0.7	177.1	-167.1	0	0	0	0	113.4	P264 A265	P264-S267 PolarHBondContact O-N 3.46Å; A265-S267 PolarHBondContact O-N 2.99Å
268	C	47.6	Very low	43.9	Very low	25 Å²	25	91.4 Å²	91.4	17%	0.169	51%	0.511	C	S	.	.			trans	-130.4	89.7	-173.9	-87.6	0	0	0	0	110.3	A265 D270 C272	A265-C268 PolarHBondContact O-N 2.89Å; C268-D270 PolarHBondContact O-N 3.2Å; C268-D270 VanDerWaalsContact O-N 3.07Å; C268-C272 HydrophobicContact CB-CB 3.77Å; C268-C272 WeakPolarHBondContact CB-SG 3.39Å; C268-C272 WeakPolarHBondContact SG-CB 3.32Å; C268-C272 CovalentContact SG-SG 2.04Å; C268-C272 PolarHBondContact SG-SG 2.87Å
269	Q	47.2	Very low	43	Very low	182 Å²	182	93 Å²	93	85%	0.85	52%	0.524	S	S	*	.			trans	-76	90.8	168.9	-71.1	176.9	-22.1	0	0	109.2	Q271	Q269-Q271 PolarHBondContact O-N 2.94Å
270	D	46.9	Very low	42.2	Very low	155 Å²	155	89.5 Å²	89.5	83%	0.829	52%	0.519	S	S	*	.	S	Bend	trans	56.6	-25.6	170.6	-57.9	-30.8	0	0	0	119.7	C268 C272	C268-D270 PolarHBondContact O-N 3.2Å; C268-D270 VanDerWaalsContact O-N 3.07Å; D270-C272 PolarHBondContact O-N 3.46Å
271	Q	41.8	Very low	41.3	Very low	174 Å²	174	93.9 Å²	93.9	81%	0.813	54%	0.542	S	S	*	.			trans	-86.7	-0.7	-171.3	-62.6	-162.6	-8	0	0	115.8	Q269 Y273	Q269-Q271 PolarHBondContact O-N 2.94Å; Q271-Y273 PolarHBondContact O-N 3.48Å
272	C	46.4	Very low	40.6	Very low	47 Å²	47	92.3 Å²	92.3	32%	0.318	54%	0.543	S	S	.	.			trans	-75.6	14.5	-176.4	-65.7	0	0	0	0	115.3	C268 D270	C268-C272 HydrophobicContact CB-CB 3.77Å; C268-C272 WeakPolarHBondContact CB-SG 3.39Å; C268-C272 WeakPolarHBondContact SG-CB 3.32Å; C268-C272 CovalentContact SG-SG 2.04Å; C268-C272 PolarHBondContact SG-SG 2.87Å; D270-C272 PolarHBondContact O-N 3.46Å
273	Y	34.7	Very low	40.1	Very low	69 Å²	69	95 Å²	95	27%	0.271	56%	0.558	S	S	.	*			trans	-125.8	51.4	-176.7	-69.1	-61.2	0	0	0	113.6	Q234 Q271 L443	Q234-Y273 VanDerWaalsContact OE1-CZ 3.28Å; Q234-Y273 PolarHBondContact OE1-OH 2.88Å; Q271-Y273 PolarHBondContact O-N 3.48Å; Y273-L443 HydrophobicContact CD1-CD1 3.68Å; Y273-L443 HydrophobicContact CE1-CD1 3.47Å; Y273-L443 VanDerWaalsContact CE1-CD1 3.47Å; Y273-L443 HydrophobicContact CE1-CG 4.48Å
274	V	32.4	Very low	39.4	Very low	119 Å²	119	97 Å²	97	72%	0.721	56%	0.562	S	S	*	*	S	Bend	trans	-129.9	139.8	159.9	-171.6	0	0	0	0	108.4
275	G	28.8	Very low	39	Very low	42 Å²	42	100 Å²	100	43%	0.433	58%	0.58	S	S	.	*			trans	-72	162.7	-178.5	0	0	0	0	0	113.9
276	F	26.5	Very low	38.7	Very low	206 Å²	206	105 Å²	105	90%	0.904	59%	0.585	S	S	*	*	S	Bend	trans	82.8	121	180	-57.4	-80.2	0	0	0	117.2
277	S	25.4	Very low	38.7	Very low	93 Å²	93	101.3 Å²	101.3	65%	0.65	56%	0.558	S	S	*	*			trans	58.3	83.1	167.5	-155.4	0	0	0	0	118.9
278	L	30.7	Very low	38.4	Very low	105 Å²	105	100.3 Å²	100.3	55%	0.55	55%	0.554	S	S	.	*			trans	-92.5	82.5	140.1	-88.5	89.9	0	0	0	109.9	L280 W308	L278-L280 HydrophobicContact CG-CB 4.43Å; L278-W308 HydrophobicContact CD1-CZ2 4.16Å
279	A	32.2	Very low	38.6	Very low	90 Å²	90	100.4 Å²	100.4	74%	0.744	55%	0.553	S	S	*	*			trans	-77.7	1.3	146.8	0	0	0	0	0	111.6	L281	A279-L281 PolarHBondContact O-N 2.98Å; A279-L281 VanDerWaalsContact O-N 3.12Å
280	L	35.9	Very low	38.7	Very low	117 Å²	117	94.7 Å²	94.7	61%	0.613	53%	0.53	S	S	*	.			trans	-74.8	101	178.7	-72.8	98.4	0	0	0	111.7	L278	L278-L280 HydrophobicContact CG-CB 4.43Å
281	L	33.1	Very low	39	Very low	151 Å²	151	88.3 Å²	88.3	79%	0.791	50%	0.495	S	S	*	.			trans	51.6	98.6	131.2	-65.2	157.5	0	0	0	116.4	A279 L283	A279-L281 PolarHBondContact O-N 2.98Å; A279-L281 VanDerWaalsContact O-N 3.12Å; L281-L283 PolarHBondContact O-N 3.24Å
282	G	35.6	Very low	39.6	Very low	56 Å²	56	82.7 Å²	82.7	58%	0.577	48%	0.479	S	S	*	.			trans	-56.1	123.9	163	0	0	0	0	0	110.9	Q284	G282-Q284 PolarHBondContact O-N 2.84Å
283	L	38.7	Very low	39.8	Very low	76 Å²	76	86.6 Å²	86.6	40%	0.398	51%	0.507	S	S	.	.			trans	-71.7	88.3	-168.6	-165.2	82	0	0	0	111.7	F262 L281 V285 T304	F262-L283 HydrophobicContact CE2-CD2 4.12Å; L281-L283 PolarHBondContact O-N 3.24Å; L283-V285 VanDerWaalsContact C-N 3.27Å; L283-V285 HydrophobicContact CD2-CG2 3.85Å; L283-V285 HydrophobicContact CG-CG2 4.05Å; L283-V285 PolarHBondContact O-N 3.16Å; L283-T304 HydrophobicContact CB-CG2 4.21Å
284	Q	38.4	Very low	41.1	Very low	94 Å²	94	94.9 Å²	94.9	44%	0.439	54%	0.537	S	S	.	.			trans	-77	72.3	-178.9	-166.5	-172.8	77.6	0	0	112.4	G282 R286 P301	G282-Q284 PolarHBondContact O-N 2.84Å; Q284-R286 VanDerWaalsContact OE1-NE 3.11Å; Q284-P301 HydrophobicContact CG-CB 4.16Å
285	V	42.4	Very low	42.5	Very low	69 Å²	69	91.8 Å²	91.8	42%	0.418	52%	0.516	S	S	.	.			trans	-64.9	139.7	166.9	-172.7	0	0	0	0	109	L283 P287 I302	L283-V285 VanDerWaalsContact C-N 3.27Å; L283-V285 HydrophobicContact CD2-CG2 3.85Å; L283-V285 HydrophobicContact CG-CG2 4.05Å; L283-V285 PolarHBondContact O-N 3.16Å; V285-P287 WeakPolarHBondContact O-CD 3.36Å; V285-I302 HydrophobicContact CB-CB 4.32Å; V285-I302 HydrophobicContact CB-CD1 4.21Å; V285-I302 HydrophobicContact CG1-CD1 4.43Å; V285-I302 WeakPolarHBondContact O-CB 3.39Å; V285-I302 PolarHBondContact O-N 2.87Å
286	R	45.4	Very low	44.1	Very low	172 Å²	172	93.8 Å²	93.8	65%	0.649	52%	0.522	S	S	*	.			trans	-117.4	76.8	179.9	-65	-175	-174.7	179.2	2.7	112	Q284 V299 F300	Q284-R286 VanDerWaalsContact OE1-NE 3.11Å; R286-V299 HydrophobicContact CB-CG1 4.22Å; R286-F300 WeakPolarHBondContact CA-O 3.35Å
287	P	51.7	Low	45.8	Very low	22 Å²	22	92.8 Å²	92.8	14%	0.143	51%	0.512	C	S	.	.			trans	-60.3	145.7	168.6	28.7	-38.3	0	0	0	111.5	L260 V285 F300 I302	L260-P287 HydrophobicContact CD1-CB 4.08Å; L260-P287 HydrophobicContact CD1-CG 3.88Å; L260-P287 HydrophobicContact CD2-CB 3.59Å; L260-P287 HydrophobicContact CD2-CG 4.14Å; V285-P287 WeakPolarHBondContact O-CD 3.36Å; P287-F300 WeakPolarHBondContact CD-O 3.44Å; P287-F300 HydrophobicContact CG-CB 4.33Å; P287-F300 PolarHBondContact O-N 2.9Å; P287-I302 HydrophobicContact CG-CD1 3.71Å; P287-I302 HydrophobicContact CG-CG1 3.84Å
288	A	44.3	Very low	47.6	Very low	43 Å²	43	89.5 Å²	89.5	36%	0.355	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	134	173.1	0	0	0	0	0	109.3	V298 V299	A288-V298 WeakPolarHBondContact CA-O 3.46Å; A288-V299 HydrophobicContact CB-CG2 3.94Å
289	L	51.7	Low	49.2	Very low	27 Å²	27	88.5 Å²	88.5	14%	0.141	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	121.5	166.2	-68.9	-180	0	0	0	108.9	V245 A258 F291 V298 F300	V245-L289 HydrophobicContact CG1-CD1 4.49Å; A258-L289 HydrophobicContact CB-CD2 4.1Å; L289-F291 HydrophobicContact CB-CE1 4.23Å; L289-F291 HydrophobicContact CB-CE2 3.84Å; L289-F291 HydrophobicContact CB-CZ 3.53Å; L289-F291 HydrophobicContact CD1-CZ 4.08Å; L289-F291 HydrophobicContact CG-CZ 4.47Å; L289-F291 WeakPolarHBondContact O-CE2 3.39Å; L289-V298 PolarHBondContact N-O 3.07Å; L289-V298 PolarHBondContact O-N 3.03Å; L289-F300 HydrophobicContact CD1-CE2 3.84Å; L289-F300 HydrophobicContact CD1-CZ 4.36Å; L289-F300 HydrophobicContact CG-CE2 3.98Å
290	T	49.2	Very low	50.6	Low	62 Å²	62	84.6 Å²	84.6	38%	0.38	45%	0.452	S	S	.	.			trans	-94.5	117.7	171.9	41.3	0	0	0	0	110.2	T256 R297	T256-T290 PolarHBondContact OG1-O 2.97Å; T256-T290 PolarHBondContact OG1-OG1 3.19Å; T290-R297 HydrophobicContact CG2-CG 4.48Å
291	F	53.2	Low	51.7	Low	20 Å²	20	80.7 Å²	80.7	9%	0.088	43%	0.434	C	S	.	.	B	Isolated β-bridge	trans	-95.8	176.2	170.5	-49.8	-77.3	0	0	0	109.3	I220 V253 V255 L289 L295 V298	I220-F291 HydrophobicContact CD1-CD1 3.75Å; I220-F291 HydrophobicContact CD1-CD2 3.54Å; I220-F291 HydrophobicContact CD1-CE1 3.75Å; I220-F291 HydrophobicContact CD1-CE2 3.57Å; I220-F291 HydrophobicContact CD1-CG 3.63Å; I220-F291 HydrophobicContact CD1-CZ 3.68Å; I220-F291 HydrophobicContact CG2-CE1 4.43Å; I220-F291 HydrophobicContact CG2-CE2 4.48Å; I220-F291 HydrophobicContact CG2-CZ 3.94Å; V253-F291 HydrophobicContact CG1-CB 3.84Å; V253-F291 HydrophobicContact CG1-CD1 3.52Å; V253-F291 HydrophobicContact CG1-CE1 4.41Å; V253-F291 HydrophobicContact CG1-CG 3.9Å; V255-F291 HydrophobicContact CB-CD1 4.41Å; V255-F291 HydrophobicContact CB-CE1 4.2Å; V255-F291 HydrophobicContact CG1-CD1 4.41Å; V255-F291 HydrophobicContact CG1-CE1 3.84Å; V255-F291 HydrophobicContact CG2-CD1 4.07Å; V255-F291 HydrophobicContact CG2-CE1 3.8Å; L289-F291 HydrophobicContact CB-CE1 4.23Å; L289-F291 HydrophobicContact CB-CE2 3.84Å; L289-F291 HydrophobicContact CB-CZ 3.53Å; L289-F291 HydrophobicContact CD1-CZ 4.08Å; L289-F291 HydrophobicContact CG-CZ 4.47Å; L289-F291 WeakPolarHBondContact O-CE2 3.39Å; F291-L295 HydrophobicContact CB-CB 4.13Å; F291-L295 HydrophobicContact CB-CD1 4.24Å; F291-V298 HydrophobicContact CE2-CB 4.04Å; F291-V298 HydrophobicContact CE2-CG2 3.8Å; F291-V298 HydrophobicContact CZ-CB 4.47Å; F291-V298 HydrophobicContact CZ-CG2 4.32Å
292	A	54.3	Low	52.9	Low	57 Å²	57	74.1 Å²	74.1	47%	0.471	40%	0.4	S	S	.	.	S	Bend	trans	-54.4	151.9	177.8	0	0	0	0	0	112.3	R294 L295	A292-R294 PolarHBondContact O-N 3.01Å; A292-L295 PolarHBondContact O-N 3.39Å; A292-L295 VanDerWaalsContact O-N 3.11Å
293	S	52.3	Low	54	Low	129 Å²	129	77.8 Å²	77.8	90%	0.902	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	8.4	-154.7	57.5	0	0	0	0	118.6
294	R	61.3	Low	54.5	Low	242 Å²	242	74.3 Å²	74.3	91%	0.913	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.7	0.7	177.6	-60.7	-175.4	-179.2	-176.3	-0	114.1	A292	A292-R294 PolarHBondContact O-N 3.01Å
295	L	61.8	Low	55	Low	54 Å²	54	74.1 Å²	74.1	28%	0.283	38%	0.38	S	S	.	.	S	Bend	trans	-110.4	149.3	-173.5	-64.8	175.1	0	0	0	112.9	F249 V253 F291 A292	F249-L295 HydrophobicContact CD2-CD2 4.24Å; F249-L295 HydrophobicContact CE1-CD2 4.45Å; F249-L295 HydrophobicContact CE2-CD2 3.78Å; F249-L295 HydrophobicContact CZ-CD2 3.9Å; V253-L295 HydrophobicContact CB-CD1 4.24Å; V253-L295 HydrophobicContact CG1-CD1 3.68Å; V253-L295 HydrophobicContact CG2-CD1 3.62Å; F291-L295 HydrophobicContact CB-CB 4.13Å; F291-L295 HydrophobicContact CB-CD1 4.24Å; A292-L295 PolarHBondContact O-N 3.39Å; A292-L295 VanDerWaalsContact O-N 3.11Å
296	P	61.5	Low	55.4	Low	84 Å²	84	75.2 Å²	75.2	55%	0.545	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-64.9	138.2	179.7	26.4	-34.3	0	0	0	111.8
297	R	63.4	Low	55.8	Low	185 Å²	185	70.3 Å²	70.3	70%	0.698	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-74	129.7	175.4	-65.1	179.3	179.9	178.2	-1.6	110.1	T290	T290-R297 HydrophobicContact CG2-CG 4.48Å
298	V	62.9	Low	56.3	Low	25 Å²	25	74 Å²	74	15%	0.152	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	119.9	172.4	-178.3	0	0	0	0	108.5	I220 P222 A288 L289 F291 F300	I220-V298 HydrophobicContact CB-CG2 3.98Å; I220-V298 HydrophobicContact CG2-CG2 4.11Å; P222-V298 HydrophobicContact CG-CG1 4.23Å; A288-V298 WeakPolarHBondContact CA-O 3.46Å; L289-V298 PolarHBondContact N-O 3.07Å; L289-V298 PolarHBondContact O-N 3.03Å; F291-V298 HydrophobicContact CE2-CB 4.04Å; F291-V298 HydrophobicContact CE2-CG2 3.8Å; F291-V298 HydrophobicContact CZ-CB 4.47Å; F291-V298 HydrophobicContact CZ-CG2 4.32Å; V298-F300 HydrophobicContact CB-CE2 4.23Å; V298-F300 HydrophobicContact CG1-CD2 4.37Å; V298-F300 HydrophobicContact CG1-CE1 4.26Å; V298-F300 HydrophobicContact CG1-CE2 3.58Å; V298-F300 HydrophobicContact CG1-CZ 3.52Å
299	V	63.3	Low	57.5	Low	83 Å²	83	72.3 Å²	72.3	50%	0.503	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	132	-176	-174	0	0	0	0	109.8	R286 A288	R286-V299 HydrophobicContact CB-CG1 4.22Å; A288-V299 HydrophobicContact CB-CG2 3.94Å
300	F	61.4	Low	58.7	Low	8 Å²	8	75.7 Å²	75.7	4%	0.035	38%	0.379	C	S	.	.			trans	-114.8	127.8	-178.9	-60.4	-93	0	0	0	110.1	P222 V227 V243 V245 R286 P287 L289 V298 I302	P222-F300 HydrophobicContact CB-CE1 3.43Å; P222-F300 VanDerWaalsContact CB-CE1 3.43Å; P222-F300 HydrophobicContact CB-CZ 3.76Å; P222-F300 HydrophobicContact CG-CE1 3.91Å; P222-F300 HydrophobicContact CG-CZ 4.25Å; V227-F300 HydrophobicContact CG2-CB 4.48Å; V243-F300 HydrophobicContact CG1-CD1 4.3Å; V243-F300 HydrophobicContact CG1-CE1 3.56Å; V243-F300 HydrophobicContact CG1-CE2 4.39Å; V243-F300 HydrophobicContact CG1-CZ 3.62Å; V245-F300 HydrophobicContact CG1-CZ 4.31Å; R286-F300 WeakPolarHBondContact CA-O 3.35Å; P287-F300 WeakPolarHBondContact CD-O 3.44Å; P287-F300 HydrophobicContact CG-CB 4.33Å; P287-F300 PolarHBondContact O-N 2.9Å; L289-F300 HydrophobicContact CD1-CE2 3.84Å; L289-F300 HydrophobicContact CD1-CZ 4.36Å; L289-F300 HydrophobicContact CG-CE2 3.98Å; V298-F300 HydrophobicContact CB-CE2 4.23Å; V298-F300 HydrophobicContact CG1-CD2 4.37Å; V298-F300 HydrophobicContact CG1-CE1 4.26Å; V298-F300 HydrophobicContact CG1-CE2 3.58Å; V298-F300 HydrophobicContact CG1-CZ 3.52Å; F300-I302 PolarHBondContact O-N 2.84Å
301	P	60	Low	60.5	Low	36 Å²	36	72.8 Å²	72.8	23%	0.234	36%	0.362	C	S	.	.			trans	-71.6	121.6	160.8	29.1	-30.4	0	0	0	109.5	K225 A226 V227 Q284	K225-P301 VanDerWaalsContact O-CD 3.3Å; K225-P301 WeakPolarHBondContact O-CD 3.38Å; A226-P301 WeakPolarHBondContact CA-O 3.32Å; A226-P301 HydrophobicContact CB-CG 3.94Å; A226-P301 WeakPolarHBondContact CB-O 3.5Å; V227-P301 PolarHBondContact N-O 2.79Å; Q284-P301 HydrophobicContact CG-CB 4.16Å
302	I	58.6	Low	62.2	Low	13 Å²	13	72 Å²	72	7%	0.067	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	142.5	160.9	-71.7	172	0	0	0	108.6	V227 F229 V285 P287 F300	V227-I302 HydrophobicContact CB-CG1 4.25Å; V227-I302 CarbonylContact O-C 3.6Å; V227-I302 WeakPolarHBondContact O-CA 3.32Å; F229-I302 HydrophobicContact CD2-CG2 3.82Å; F229-I302 HydrophobicContact CE2-CD1 4.17Å; F229-I302 HydrophobicContact CE2-CG1 4.25Å; F229-I302 HydrophobicContact CE2-CG2 3.79Å; V285-I302 HydrophobicContact CB-CB 4.32Å; V285-I302 HydrophobicContact CB-CD1 4.21Å; V285-I302 HydrophobicContact CG1-CD1 4.43Å; V285-I302 WeakPolarHBondContact O-CB 3.39Å; V285-I302 PolarHBondContact O-N 2.87Å; P287-I302 HydrophobicContact CG-CD1 3.71Å; P287-I302 HydrophobicContact CG-CG1 3.84Å; F300-I302 PolarHBondContact O-N 2.84Å
303	R	58.3	Low	63.6	Low	132 Å²	132	78.4 Å²	78.4	50%	0.498	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	143.8	164.6	-70.8	178.6	169.1	178.7	-7.7	108.8	V227 D228 F229	V227-R303 PolarHBondContact O-N 2.9Å; D228-R303 WeakPolarHBondContact CA-O 3.45Å; D228-R303 HydrophobicContact CB-CB 4.25Å; F229-R303 PolarHBondContact N-O 3.35Å
304	T	49.4	Very low	65.1	Low	3 Å²	3	75.1 Å²	75.1	2%	0.018	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	137.1	177.2	-177.1	0	0	0	0	108.4	F262 L283	F262-T304 HydrophobicContact CE1-CG2 4.18Å; F262-T304 WeakPolarHBondContact CE1-OG1 3.43Å; F262-T304 HydrophobicContact CE2-CG2 3.97Å; F262-T304 HydrophobicContact CZ-CG2 3.74Å; L283-T304 HydrophobicContact CB-CG2 4.21Å
305	N	49	Very low	65.8	Low	91 Å²	91	68.8 Å²	68.8	49%	0.487	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	113.6	176.3	-70.5	-37.7	0	0	0	108	G230 S231 V232 V307	G230-N305 PolarHBondContact O-N 3.3Å; S231-N305 CarbonylContact C-O 3.54Å; S231-N305 VanDerWaalsContact CA-O 3.31Å; S231-N305 WeakPolarHBondContact CA-O 3.41Å; V232-N305 PolarHBondContact N-O 2.88Å; N305-V307 PolarHBondContact O-N 2.86Å
306	L	50.4	Low	66.9	Low	91 Å²	91	68 Å²	68	48%	0.476	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	130	173.3	-66.8	177	0	0	0	109.3	F262	F262-L306 HydrophobicContact CE1-CD2 4.25Å; F262-L306 HydrophobicContact CZ-CD2 4.12Å
307	V	54	Low	68.2	Low	70 Å²	70	64.3 Å²	64.3	42%	0.424	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	135.6	177.6	175.6	0	0	0	0	109.9	V232 A233 N305	V232-V307 PolarHBondContact O-N 3.15Å; V232-V307 VanDerWaalsContact O-N 3.14Å; A233-V307 WeakPolarHBondContact CA-O 3.31Å; N305-V307 PolarHBondContact O-N 2.86Å
308	W	62.9	Low	69.5	Low	99 Å²	99	59.4 Å²	59.4	38%	0.375	29%	0.285	S	S	.	.			trans	-53.9	132.1	178.8	-70.6	97.9	0	0	0	111.6	L278 R310 T444	L278-W308 HydrophobicContact CD1-CZ2 4.16Å; W308-R310 PolarHBondContact O-N 3.43Å; W308-R310 VanDerWaalsContact O-N 3.15Å; W308-T444 HydrophobicContact CB-CG2 4.11Å; W308-T444 HydrophobicContact CE3-CG2 4.39Å
309	P	68.2	Low	70.9	Confident	8 Å²	8	58.9 Å²	58.9	5%	0.052	28%	0.281	C	S	.	.			trans	-73.5	109.3	-175.3	30.4	-35.1	0	0	0	110.5	P337 L443 T444	P309-P337 HydrophobicContact CB-CB 4.27Å; P309-P337 HydrophobicContact CB-CG 3.82Å; P309-P337 HydrophobicContact CG-CG 4.39Å; P309-L443 HydrophobicContact CG-CD2 3.97Å; P309-L443 HydrophobicContact CG-CG 4.39Å; P309-T444 WeakPolarHBondContact O-CG2 3.27Å
310	R	76.7	Confident	72.4	Confident	97 Å²	97	58.5 Å²	58.5	37%	0.366	28%	0.28	S	S	.	.			trans	-69.7	136	-177.4	-60.8	-167	73.8	161.7	5.2	112.7	W308 V312 E447 M448	W308-R310 PolarHBondContact O-N 3.43Å; W308-R310 VanDerWaalsContact O-N 3.15Å; R310-V312 VanDerWaalsContact C-N 3.28Å; R310-V312 VanDerWaalsContact CB-O 3.32Å; R310-V312 WeakPolarHBondContact CB-O 3.48Å; R310-E447 WeakPolarHBondContact CA-OE1 3.34Å; R310-E447 WeakPolarHBondContact CA-OE2 3.42Å; R310-E447 WeakPolarHBondContact CB-OE2 3.43Å; R310-E447 IonicContact NE-OE2 3.62Å; R310-E447 PolarHBondContact NE-OE2 2.98Å; R310-M448 PolarHBondContact NH2-O 3.44Å
311	L	88.4	Confident	73.8	Confident	2 Å²	2	60.9 Å²	60.9	1%	0.01	29%	0.293	C	S	.	.	S	Bend	trans	-68.9	-28.3	171.8	-88.4	60.3	0	0	0	112.2	I334 R335 V342 I344 I439 N441 L443 E447	L311-I334 HydrophobicContact CB-CG2 4.29Å; L311-I334 WeakPolarHBondContact O-CA 3.4Å; L311-R335 PolarHBondContact O-N 3.4Å; L311-V342 HydrophobicContact CD2-CG1 4.26Å; L311-I344 HydrophobicContact CD2-CD1 3.57Å; L311-I344 HydrophobicContact CD2-CG1 3.69Å; L311-I344 HydrophobicContact CD2-CG2 4.33Å; L311-I344 HydrophobicContact CG-CD1 4.26Å; L311-I439 HydrophobicContact CD2-CG2 4.1Å; L311-N441 HydrophobicContact CD2-CB 3.56Å; L311-N441 VanDerWaalsContact CD2-CG 3.44Å; L311-L443 HydrophobicContact CD1-CB 4.33Å; L311-L443 HydrophobicContact CD1-CD2 3.96Å; L311-E447 PolarHBondContact N-OE1 2.85Å; L311-E447 PolarHBondContact N-OE2 3.09Å
312	V	89	Confident	75.4	Confident	4 Å²	4	59.5 Å²	59.5	2%	0.024	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-114.8	137.1	179.3	167.1	0	0	0	0	110.3	R310 Q314 L332 I334 I439 L449	R310-V312 VanDerWaalsContact C-N 3.28Å; R310-V312 VanDerWaalsContact CB-O 3.32Å; R310-V312 WeakPolarHBondContact CB-O 3.48Å; V312-Q314 HydrophobicContact CG1-CB 3.91Å; V312-Q314 WeakPolarHBondContact CG1-O 3.27Å; V312-L332 HydrophobicContact CG1-CD1 3.64Å; V312-L332 HydrophobicContact CG2-CD1 4.12Å; V312-L332 HydrophobicContact CG2-CD2 4.28Å; V312-L332 HydrophobicContact CG2-CG 4.22Å; V312-I334 HydrophobicContact CG2-CD1 4.18Å; V312-I334 HydrophobicContact CG2-CG1 3.91Å; V312-I439 HydrophobicContact CG2-CD1 3.57Å; V312-L449 HydrophobicContact CG1-CD1 4.33Å; V312-L449 HydrophobicContact CG1-CD2 4.21Å
313	K	82.5	Confident	76.9	Confident	191 Å²	191	59.5 Å²	59.5	83%	0.83	29%	0.285	S	S	*	.	S	Bend	trans	-79.5	-31.4	177.9	-173.4	178.2	176.8	-175.2	0	113.2
314	Q	83.4	Confident	78.4	Confident	59 Å²	59	55.6 Å²	55.6	28%	0.276	28%	0.276	S	S	.	.			trans	-70.3	127.7	177.3	-69.8	85.6	-27.7	0	0	111	V312 V316 V317 L449	V312-Q314 HydrophobicContact CG1-CB 3.91Å; V312-Q314 WeakPolarHBondContact CG1-O 3.27Å; Q314-V316 VanDerWaalsContact C-N 3.34Å; Q314-V317 HydrophobicContact CB-CG2 4.35Å; Q314-L449 HydrophobicContact CB-CD1 4.36Å; Q314-L449 VanDerWaalsContact O-CD1 3.31Å; Q314-L449 WeakPolarHBondContact O-CD1 3.47Å
315	E	77.7	Confident	80.2	Confident	109 Å²	109	58.5 Å²	58.5	51%	0.509	31%	0.307	S	S	.	.	S	Bend	trans	-78.1	-24.8	170.6	-57.4	-171.4	142.3	0	0	111.9	R110	R110-E315 IonicContact NH2-OE2 2.62Å
316	V	83.9	Confident	82.1	Confident	37 Å²	37	58.7 Å²	58.7	22%	0.224	31%	0.308	C	S	.	.			trans	-154	151.5	-178.1	57.2	0	0	0	0	109.2	Q314 H318 P450 Y452	Q314-V316 VanDerWaalsContact C-N 3.34Å; V316-H318 WeakPolarHBondContact CG2-NE2 3.35Å; V316-P450 HydrophobicContact CG2-CB 4.31Å; V316-Y452 HydrophobicContact CG2-CD2 3.53Å; V316-Y452 HydrophobicContact CG2-CE2 3.59Å
317	V	89.4	Confident	84.1	Confident	8 Å²	8	59 Å²	59	5%	0.048	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	123.2	171.3	173	0	0	0	0	110.4	Q314 F319 V330 L332 L449 P450 L451 Y452	Q314-V317 HydrophobicContact CB-CG2 4.35Å; V317-F319 HydrophobicContact CG1-CD2 4.17Å; V317-F319 HydrophobicContact CG1-CE2 3.85Å; V317-F319 HydrophobicContact CG1-CZ 4.35Å; V317-V330 HydrophobicContact CG1-CB 4.14Å; V317-V330 HydrophobicContact CG1-CG1 3.88Å; V317-V330 HydrophobicContact CG1-CG2 4.19Å; V317-L332 HydrophobicContact CG2-CD1 4.33Å; V317-L449 HydrophobicContact CG2-CD1 4.31Å; V317-L449 HydrophobicContact CG2-CD2 4.01Å; V317-L449 HydrophobicContact CG2-CG 4.34Å; V317-P450 PolarHBondContact N-O 2.93Å; V317-L451 HydrophobicContact CB-CD2 3.74Å; V317-L451 HydrophobicContact CG1-CD2 4.24Å; V317-L451 HydrophobicContact CG2-CD2 4.24Å; V317-L451 CarbonylContact O-C 3.54Å; V317-L451 WeakPolarHBondContact O-CA 3.31Å; V317-Y452 PolarHBondContact O-N 2.72Å
318	H	89.6	Confident	86	Confident	81 Å²	81	56.4 Å²	56.4	38%	0.375	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	124.3	168.7	-66.5	-85.1	0	0	0	109.5	F172 V316 Y452	F172-H318 AromaticContact CE2-CD2 3.97Å; F172-H318 AromaticContact CE2-NE2 3.27Å; F172-H318 VanDerWaalsContact CE2-NE2 3.27Å; F172-H318 WeakPolarHBondContact CE2-NE2 3.42Å; F172-H318 AromaticContact CZ-NE2 3.73Å; V316-H318 WeakPolarHBondContact CG2-NE2 3.35Å; H318-Y452 WeakPolarHBondContact CA-O 3.44Å; H318-Y452 AromaticContact CE1-CD2 3.57Å; H318-Y452 AromaticContact CE1-CG 3.93Å
319	F	93.8	Very high	87.5	Confident	15 Å²	15	54.9 Å²	54.9	7%	0.066	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-79.9	147.8	169.4	-73.8	-93.8	0	0	0	110.3	V317 V330 F373 V423 F425 L451 Y452	V317-F319 HydrophobicContact CG1-CD2 4.17Å; V317-F319 HydrophobicContact CG1-CE2 3.85Å; V317-F319 HydrophobicContact CG1-CZ 4.35Å; F319-V330 HydrophobicContact CD1-CB 4.46Å; F319-V330 HydrophobicContact CD1-CG2 3.63Å; F319-V330 HydrophobicContact CE1-CB 4.01Å; F319-V330 HydrophobicContact CE1-CG2 3.68Å; F319-V330 HydrophobicContact CG-CG2 4.18Å; F319-V330 HydrophobicContact CZ-CB 4.33Å; F319-V330 HydrophobicContact CZ-CG2 4.26Å; F319-F373 HydrophobicContact CD2-CD1 4.09Å; F319-F373 AromaticContact CD2-CE1 3.78Å; F319-F373 HydrophobicContact CD2-CE1 3.78Å; F319-F373 AromaticContact CE2-CD1 3.74Å; F319-F373 HydrophobicContact CE2-CD1 3.74Å; F319-F373 AromaticContact CE2-CE1 3.9Å; F319-F373 HydrophobicContact CE2-CE1 3.9Å; F319-F373 HydrophobicContact CZ-CD1 4.43Å; F319-V423 WeakPolarHBondContact CE1-O 3.46Å; F319-V423 HydrophobicContact CZ-CB 4Å; F319-V423 HydrophobicContact CZ-CG1 3.79Å; F319-F425 HydrophobicContact CB-CB 3.98Å; F319-F425 HydrophobicContact CB-CD1 4.14Å; F319-F425 HydrophobicContact CB-CG 4.24Å; F319-F425 HydrophobicContact CD1-CB 3.36Å; F319-F425 HydrophobicContact CD1-CG 4.46Å; F319-F425 HydrophobicContact CD2-CB 3.94Å; F319-F425 HydrophobicContact CE1-CB 3.75Å; F319-F425 HydrophobicContact CE2-CB 4.28Å; F319-F425 HydrophobicContact CG-CB 3.46Å; F319-F425 VanDerWaalsContact CG-CB 3.46Å; F319-F425 HydrophobicContact CG-CG 4.16Å; F319-F425 HydrophobicContact CZ-CB 4.19Å; F319-L451 HydrophobicContact CE2-CB 4.41Å; F319-L451 HydrophobicContact CE2-CD1 4.37Å; F319-L451 HydrophobicContact CE2-CD2 4.4Å; F319-Y452 PolarHBondContact N-O 2.81Å
320	P	93.6	Very high	88.6	Confident	75 Å²	75	56.1 Å²	56.1	49%	0.487	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-64.2	158.3	172.4	30.1	-35.7	0	0	0	110.7	T322	P320-T322 PolarHBondContact O-N 2.93Å; P320-T322 VanDerWaalsContact O-N 3.14Å; P320-T322 PolarHBondContact O-OG1 2.9Å
321	L	91	Very high	89.4	Confident	58 Å²	58	56.7 Å²	56.7	30%	0.304	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-58	120.5	174.3	-162.3	76.1	0	0	0	109	R454 A456 E513	L321-R454 HydrophobicContact CD1-CB 3.88Å; L321-R454 HydrophobicContact CD1-CG 3.68Å; L321-A456 HydrophobicContact CD2-CB 3.79Å; L321-A456 HydrophobicContact CG-CB 3.71Å; L321-E513 HydrophobicContact CD2-CB 3.6Å
322	T	92.7	Very high	89.5	Confident	7 Å²	7	56.7 Å²	56.7	4%	0.043	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	125.2	-165.1	-61.1	0	0	0	0	109.5	P320 V324 S328 P427 R454 G455 A456	P320-T322 PolarHBondContact O-N 2.93Å; P320-T322 VanDerWaalsContact O-N 3.14Å; P320-T322 PolarHBondContact O-OG1 2.9Å; T322-V324 PolarHBondContact O-N 2.82Å; T322-S328 VanDerWaalsContact OG1-CB 3.24Å; T322-S328 WeakPolarHBondContact OG1-CB 3.42Å; T322-S328 PolarHBondContact OG1-OG 2.64Å; T322-P427 HydrophobicContact CG2-CG 3.81Å; T322-P427 VanDerWaalsContact O-CG 3.23Å; T322-P427 WeakPolarHBondContact O-CG 3.47Å; T322-R454 PolarHBondContact N-O 2.85Å; T322-R454 VanDerWaalsContact N-O 3.12Å; T322-G455 CarbonylContact O-C 3.58Å; T322-G455 VanDerWaalsContact O-CA 3.24Å; T322-G455 WeakPolarHBondContact O-CA 3.39Å; T322-A456 PolarHBondContact O-N 3Å
323	A	90.8	Very high	89.8	Confident	12 Å²	12	60.3 Å²	60.3	10%	0.099	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	136.5	179.1	0	0	0	0	0	112	G325 N326 L458	A323-G325 PolarHBondContact O-N 3.43Å; A323-N326 HydrophobicContact CB-CB 4.18Å; A323-N326 WeakPolarHBondContact O-CA 3.35Å; A323-N326 WeakPolarHBondContact O-CB 3.17Å; A323-N326 PolarHBondContact O-N 3.09Å; A323-L458 HydrophobicContact CB-CD1 3.79Å; A323-L458 HydrophobicContact CB-CD2 3.98Å; A323-L458 HydrophobicContact CB-CG 3.9Å
324	V	90.4	Very high	90.3	Very high	50 Å²	50	51.2 Å²	51.2	30%	0.303	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	131.6	176.6	170.2	0	0	0	0	110.3	T322 N326 P427 S428 D429 Y430	T322-V324 PolarHBondContact O-N 2.82Å; V324-N326 VanDerWaalsContact C-N 3.27Å; V324-N326 PolarHBondContact O-N 2.77Å; V324-P427 WeakPolarHBondContact CA-O 3.49Å; V324-P427 HydrophobicContact CG2-CB 4.24Å; V324-S428 WeakPolarHBondContact CG1-O 3.26Å; V324-D429 WeakPolarHBondContact CG2-O 3.46Å; V324-Y430 HydrophobicContact CB-CD1 4.49Å; V324-Y430 HydrophobicContact CB-CE1 3.91Å; V324-Y430 HydrophobicContact CG2-CD1 3.49Å; V324-Y430 VanDerWaalsContact CG2-CD1 3.49Å; V324-Y430 HydrophobicContact CG2-CE1 3.37Å; V324-Y430 HydrophobicContact CG2-CG 4.36Å
325	G	86.5	Confident	90.7	Very high	65 Å²	65	54.1 Å²	54.1	67%	0.67	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.8	-6	-173.3	0	0	0	0	0	115.6	A323 P427	A323-G325 PolarHBondContact O-N 3.43Å; G325-P427 PolarHBondContact N-O 3.17Å
326	N	90	Very high	91.3	Very high	95 Å²	95	49 Å²	49	51%	0.508	27%	0.267	S	S	.	.	S	Bend	trans	-102.1	-177.4	164.5	-161.5	0.8	0	0	0	109.8	A323 V324	A323-N326 HydrophobicContact CB-CB 4.18Å; A323-N326 WeakPolarHBondContact O-CA 3.35Å; A323-N326 WeakPolarHBondContact O-CB 3.17Å; A323-N326 PolarHBondContact O-N 3.09Å; V324-N326 VanDerWaalsContact C-N 3.27Å; V324-N326 PolarHBondContact O-N 2.77Å
327	F	92.2	Very high	91.3	Very high	98 Å²	98	48.1 Å²	48.1	43%	0.43	26%	0.262	S	S	.	.			trans	-137.7	156.9	177.2	70.7	-87.4	0	0	0	112.6	L329 R376 F425 L426	F327-L329 HydrophobicContact CD2-CD2 3.97Å; F327-L329 HydrophobicContact CD2-CG 4.04Å; F327-L329 HydrophobicContact CE2-CD1 4.1Å; F327-L329 HydrophobicContact CE2-CD2 4.02Å; F327-L329 HydrophobicContact CE2-CG 3.87Å; F327-R376 VanDerWaalsContact CG-NH2 3.27Å; F327-F425 VanDerWaalsContact CA-O 3.26Å; F327-F425 WeakPolarHBondContact CA-O 3.43Å; F327-F425 WeakPolarHBondContact CB-O 3.22Å; F327-L426 HydrophobicContact CB-CD1 4.28Å; F327-L426 HydrophobicContact CB-CG 3.91Å
328	S	94	Very high	90.6	Very high	15 Å²	15	48.2 Å²	48.2	11%	0.105	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	161.7	166.2	56.8	0	0	0	0	111.1	T322 G424 F425	T322-S328 VanDerWaalsContact OG1-CB 3.24Å; T322-S328 WeakPolarHBondContact OG1-CB 3.42Å; T322-S328 PolarHBondContact OG1-OG 2.64Å; S328-G424 CarbonylContact O-C 3.59Å; S328-G424 VanDerWaalsContact O-CA 3.22Å; S328-G424 WeakPolarHBondContact O-CA 3.29Å; S328-F425 PolarHBondContact N-O 2.96Å; S328-F425 PolarHBondContact O-N 3.44Å
329	L	92.9	Very high	90.1	Very high	67 Å²	67	48.3 Å²	48.3	35%	0.351	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	142.7	179.5	-61.4	179.5	0	0	0	110.1	F327 R376 V423	F327-L329 HydrophobicContact CD2-CD2 3.97Å; F327-L329 HydrophobicContact CD2-CG 4.04Å; F327-L329 HydrophobicContact CE2-CD1 4.1Å; F327-L329 HydrophobicContact CE2-CD2 4.02Å; F327-L329 HydrophobicContact CE2-CG 3.87Å; L329-R376 HydrophobicContact CD2-CB 4.3Å; L329-R376 HydrophobicContact CD2-CG 3.76Å; L329-V423 CarbonylContact C-O 3.54Å; L329-V423 WeakPolarHBondContact CA-O 3.46Å
330	V	92.8	Very high	89.6	Confident	34 Å²	34	52.7 Å²	52.7	21%	0.206	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	135	168.6	177	0	0	0	0	108.9	V317 F319 V423	V317-V330 HydrophobicContact CG1-CB 4.14Å; V317-V330 HydrophobicContact CG1-CG1 3.88Å; V317-V330 HydrophobicContact CG1-CG2 4.19Å; F319-V330 HydrophobicContact CD1-CB 4.46Å; F319-V330 HydrophobicContact CD1-CG2 3.63Å; F319-V330 HydrophobicContact CE1-CB 4.01Å; F319-V330 HydrophobicContact CE1-CG2 3.68Å; F319-V330 HydrophobicContact CG-CG2 4.18Å; F319-V330 HydrophobicContact CZ-CB 4.33Å; F319-V330 HydrophobicContact CZ-CG2 4.26Å; V330-V423 PolarHBondContact N-O 2.78Å; V330-V423 PolarHBondContact O-N 3.14Å
331	H	92.2	Very high	89.1	Confident	109 Å²	109	52.6 Å²	52.6	51%	0.505	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	111.9	173.8	-77.3	-90.8	0	0	0	110.8	S420 L421	H331-S420 PolarHBondContact ND1-OG 2.85Å; H331-S420 VanDerWaalsContact ND1-OG 3.09Å; H331-L421 CarbonylContact C-O 3.5Å; H331-L421 WeakPolarHBondContact CA-O 3.26Å
332	L	92.1	Very high	89	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.005	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	114.2	174	-173.4	64	0	0	0	109.2	V312 V317 I334 L421 V423 L437 L449	V312-L332 HydrophobicContact CG1-CD1 3.64Å; V312-L332 HydrophobicContact CG2-CD1 4.12Å; V312-L332 HydrophobicContact CG2-CD2 4.28Å; V312-L332 HydrophobicContact CG2-CG 4.22Å; V317-L332 HydrophobicContact CG2-CD1 4.33Å; L332-I334 HydrophobicContact CD2-CD1 4.41Å; L332-I334 HydrophobicContact CG-CG1 4.34Å; L332-L421 HydrophobicContact CB-CB 4.5Å; L332-L421 PolarHBondContact N-O 2.93Å; L332-L421 PolarHBondContact O-N 3.01Å; L332-V423 HydrophobicContact CB-CG2 4.02Å; L332-V423 HydrophobicContact CD2-CG2 4.21Å; L332-L437 HydrophobicContact CD2-CD1 4.28Å; L332-L449 HydrophobicContact CD1-CD2 3.57Å; L332-L449 HydrophobicContact CD2-CD2 3.76Å; L332-L449 HydrophobicContact CG-CD2 4.34Å
333	L	93.3	Very high	88.8	Confident	81 Å²	81	51 Å²	51	42%	0.424	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	109.9	177.6	-177	66.1	0	0	0	109.8	K418	L333-K418 HydrophobicContact CD1-CB 4.22Å
334	I	93.5	Very high	88.9	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	139.1	172.1	-54.6	-158.5	0	0	0	109	L311 V312 L332 I344 I346 F411 L413 K418 L419 L421	L311-I334 HydrophobicContact CB-CG2 4.29Å; L311-I334 WeakPolarHBondContact O-CA 3.4Å; V312-I334 HydrophobicContact CG2-CD1 4.18Å; V312-I334 HydrophobicContact CG2-CG1 3.91Å; L332-I334 HydrophobicContact CD2-CD1 4.41Å; L332-I334 HydrophobicContact CG-CG1 4.34Å; I334-I344 HydrophobicContact CG2-CD1 3.88Å; I334-I346 HydrophobicContact CD1-CD1 3.46Å; I334-I346 VanDerWaalsContact CD1-CD1 3.46Å; I334-I346 HydrophobicContact CD1-CG1 4.42Å; I334-F411 HydrophobicContact CD1-CZ 4.39Å; I334-L413 HydrophobicContact CG2-CD1 3.87Å; I334-K418 CarbonylContact O-C 3.45Å; I334-K418 WeakPolarHBondContact O-CA 3.49Å; I334-L419 PolarHBondContact N-O 2.9Å; I334-L419 PolarHBondContact O-N 3.49Å; I334-L421 HydrophobicContact CD1-CD1 3.61Å; I334-L421 HydrophobicContact CG1-CD1 4.09Å
335	R	92.6	Very high	88.9	Confident	120 Å²	120	50.3 Å²	50.3	45%	0.453	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	142.5	175.6	176.7	178.2	177.9	-165.9	-1.8	109.4	L311 P337 M417 K418	L311-R335 PolarHBondContact O-N 3.4Å; R335-P337 VanDerWaalsContact O-CD 3.31Å; R335-P337 WeakPolarHBondContact O-CD 3.3Å; R335-M417 WeakPolarHBondContact CA-O 3.44Å; R335-K418 HydrophobicContact CB-CG 4.31Å; R335-K418 HydrophobicContact CG-CG 4.13Å
336	N	90.6	Very high	89.2	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.248	C	C	.	.			trans	-82.1	114.3	158.6	-178.4	-7.4	0	0	0	109	S338 H340 V342 L413 R414 A416 M417	N336-S338 PolarHBondContact OD1-N 2.72Å; N336-S338 PolarHBondContact OD1-OG 2.98Å; N336-H340 PolarHBondContact ND2-O 3.42Å; N336-V342 PolarHBondContact ND2-N 2.95Å; N336-V342 WeakPolarHBondContact OD1-CG2 3.32Å; N336-L413 HydrophobicContact CB-CB 3.91Å; N336-L413 PolarHBondContact ND2-O 2.85Å; N336-R414 WeakPolarHBondContact CB-O 3.26Å; N336-R414 PolarHBondContact ND2-O 2.89Å; N336-R414 VanDerWaalsContact ND2-O 3.15Å; N336-A416 VanDerWaalsContact O-CA 3.29Å; N336-A416 WeakPolarHBondContact O-CA 3.46Å; N336-A416 PolarHBondContact O-N 2.82Å; N336-M417 PolarHBondContact N-O 2.79Å
337	P	82.6	Confident	89.1	Confident	20 Å²	20	43.7 Å²	43.7	13%	0.13	23%	0.229	C	C	.	.			trans	-87.5	-10.1	179.8	36	-34.5	0	0	0	113.2	S235 P309 R335 L443	S235-P337 WeakPolarHBondContact CB-O 3.45Å; P309-P337 HydrophobicContact CB-CB 4.27Å; P309-P337 HydrophobicContact CB-CG 3.82Å; P309-P337 HydrophobicContact CG-CG 4.39Å; R335-P337 VanDerWaalsContact O-CD 3.31Å; R335-P337 WeakPolarHBondContact O-CD 3.3Å; P337-L443 HydrophobicContact CG-CD2 3.64Å
338	S	74.7	Confident	89	Confident	10 Å²	10	39.6 Å²	39.6	7%	0.07	21%	0.212	C	C	.	.	S	Bend	trans	-95	171.1	-171.4	78.9	0	0	0	0	113.5	N336 H340	N336-S338 PolarHBondContact OD1-N 2.72Å; N336-S338 PolarHBondContact OD1-OG 2.98Å; S338-H340 VanDerWaalsContact C-N 3.3Å; S338-H340 PolarHBondContact OG-N 3.27Å; S338-H340 PolarHBondContact OG-O 2.81Å
339	S	79.2	Confident	88.5	Confident	82 Å²	82	38.9 Å²	38.9	57%	0.573	21%	0.207	S	C	*	.	S	Bend	trans	-79.3	-6.4	171	52.6	0	0	0	0	114.2	P415	S339-P415 WeakPolarHBondContact O-CG 3.4Å
340	H	83.1	Confident	87.9	Confident	107 Å²	107	36.6 Å²	36.6	50%	0.495	20%	0.198	S	C	.	.	S	Bend	trans	-114.7	156.3	-174	-63.1	119.7	0	0	0	111.2	N336 S338 V342	N336-H340 PolarHBondContact ND2-O 3.42Å; S338-H340 VanDerWaalsContact C-N 3.3Å; S338-H340 PolarHBondContact OG-N 3.27Å; S338-H340 PolarHBondContact OG-O 2.81Å; H340-V342 PolarHBondContact O-N 3.3Å
341	P	84.9	Confident	87.3	Confident	73 Å²	73	38 Å²	38	47%	0.474	20%	0.204	S	C	.	.			trans	-66.9	133.2	173.2	28.1	-34	0	0	0	110.8	N442	P341-N442 PolarHBondContact O-ND2 2.83Å
342	V	87.4	Confident	86.6	Confident	2 Å²	2	36.2 Å²	36.2	1%	0.012	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	121.5	-179.5	179.2	0	0	0	0	109.5	L311 N336 H340 I344 L413 N441 N442 L443	L311-V342 HydrophobicContact CD2-CG1 4.26Å; N336-V342 PolarHBondContact ND2-N 2.95Å; N336-V342 WeakPolarHBondContact OD1-CG2 3.32Å; H340-V342 PolarHBondContact O-N 3.3Å; V342-I344 HydrophobicContact CG1-CD1 4.13Å; V342-I344 HydrophobicContact CG1-CG1 3.74Å; V342-L413 PolarHBondContact N-O 3.26Å; V342-L413 PolarHBondContact O-N 3.12Å; V342-N441 HydrophobicContact CG1-CB 4.11Å; V342-N442 VanDerWaalsContact CA-OD1 3.25Å; V342-N442 WeakPolarHBondContact CA-OD1 3.45Å; V342-N442 WeakPolarHBondContact CG1-OD1 3.27Å; V342-L443 HydrophobicContact CG1-CB 4.19Å; V342-L443 HydrophobicContact CG2-CB 4.09Å; V342-L443 HydrophobicContact CG2-CD1 4.46Å; V342-L443 HydrophobicContact CG2-CD2 4.32Å
343	A	89.1	Confident	85.7	Confident	29 Å²	29	41 Å²	41	24%	0.24	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	130.5	168.1	0	0	0	0	0	108.8	F412 N441 N442	A343-F412 HydrophobicContact CB-CD1 3.97Å; A343-F412 HydrophobicContact CB-CE1 3.62Å; A343-F412 HydrophobicContact CB-CZ 4.25Å; A343-N441 WeakPolarHBondContact O-CA 3.46Å; A343-N441 VanDerWaalsContact O-CB 3.29Å; A343-N441 WeakPolarHBondContact O-CB 3.48Å; A343-N442 PolarHBondContact N-OD1 3.39Å; A343-N442 PolarHBondContact O-N 3.14Å; A343-N442 PolarHBondContact O-OD1 3.07Å
344	I	92.5	Very high	84.5	Confident	4 Å²	4	42.5 Å²	42.5	2%	0.021	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	135.4	-174.6	-58.2	175.3	0	0	0	108.6	L311 I334 V342 I346 S410 F411 L413 I439 N441	L311-I344 HydrophobicContact CD2-CD1 3.57Å; L311-I344 HydrophobicContact CD2-CG1 3.69Å; L311-I344 HydrophobicContact CD2-CG2 4.33Å; L311-I344 HydrophobicContact CG-CD1 4.26Å; I334-I344 HydrophobicContact CG2-CD1 3.88Å; V342-I344 HydrophobicContact CG1-CD1 4.13Å; V342-I344 HydrophobicContact CG1-CG1 3.74Å; I344-I346 HydrophobicContact CG2-CG1 4.17Å; I344-S410 CarbonylContact O-C 3.53Å; I344-S410 WeakPolarHBondContact O-CA 3.3Å; I344-S410 WeakPolarHBondContact O-CB 3.49Å; I344-F411 HydrophobicContact CB-CD2 4.11Å; I344-F411 HydrophobicContact CB-CE2 3.66Å; I344-F411 HydrophobicContact CB-CZ 4.16Å; I344-F411 HydrophobicContact CD1-CE2 3.87Å; I344-F411 HydrophobicContact CG1-CE2 4.27Å; I344-F411 HydrophobicContact CG2-CE2 3.84Å; I344-F411 HydrophobicContact CG2-CZ 3.85Å; I344-F411 PolarHBondContact N-O 3.38Å; I344-F411 PolarHBondContact O-N 2.96Å; I344-L413 HydrophobicContact CD1-CB 4.37Å; I344-L413 HydrophobicContact CD1-CD1 3.67Å; I344-L413 HydrophobicContact CD1-CG 3.94Å; I344-I439 HydrophobicContact CG2-CG2 3.94Å; I344-N441 HydrophobicContact CG1-CB 4.23Å
345	Q	91	Very high	83.4	Confident	45 Å²	45	43.7 Å²	43.7	21%	0.21	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	123.4	172.9	167.6	170.6	63.8	0	0	109.2	I347 L409 S410 I439 R440	Q345-I347 HydrophobicContact CG-CD1 4Å; Q345-I347 HydrophobicContact CG-CG1 3.79Å; Q345-L409 CarbonylContact C-O 3.45Å; Q345-L409 WeakPolarHBondContact CA-O 3.48Å; Q345-S410 WeakPolarHBondContact CB-OG 3.17Å; Q345-S410 WeakPolarHBondContact CG-OG 3.42Å; Q345-I439 CarbonylContact O-C 3.6Å; Q345-R440 HydrophobicContact CB-CB 4.41Å; Q345-R440 PolarHBondContact N-O 2.86Å; Q345-R440 PolarHBondContact O-N 2.86Å
346	I	92.5	Very high	82.3	Confident	0 Å²	0	42 Å²	42	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	125	-179.7	-48	175.6	0	0	0	109.5	I334 I344 L375 T408 L409 F411 L421 L437 L438 I439	I334-I346 HydrophobicContact CD1-CD1 3.46Å; I334-I346 VanDerWaalsContact CD1-CD1 3.46Å; I334-I346 HydrophobicContact CD1-CG1 4.42Å; I344-I346 HydrophobicContact CG2-CG1 4.17Å; I346-L375 HydrophobicContact CB-CD1 4.2Å; I346-L375 HydrophobicContact CG2-CD1 3.85Å; I346-L375 HydrophobicContact CG2-CD2 4.16Å; I346-T408 WeakPolarHBondContact O-CA 3.3Å; I346-T408 WeakPolarHBondContact O-CB 3.23Å; I346-L409 HydrophobicContact CB-CB 4.29Å; I346-L409 HydrophobicContact CD1-CB 4.34Å; I346-L409 PolarHBondContact N-O 2.8Å; I346-L409 PolarHBondContact O-N 2.72Å; I346-F411 HydrophobicContact CD1-CE1 4.23Å; I346-F411 HydrophobicContact CD1-CZ 4.1Å; I346-L421 HydrophobicContact CD1-CD1 3.27Å; I346-L437 HydrophobicContact CG2-CB 4.34Å; I346-L437 HydrophobicContact CG2-CD1 4.43Å; I346-L438 WeakPolarHBondContact CA-O 3.34Å; I346-I439 HydrophobicContact CG1-CG1 4.45Å; I346-I439 HydrophobicContact CG1-CG2 4.48Å; I346-I439 HydrophobicContact CG2-CG1 4.35Å
347	I	88.6	Confident	81.1	Confident	21 Å²	21	45 Å²	45	11%	0.108	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	122.2	-175	-43.4	179.8	0	0	0	107.9	Q345 I351 Y352 T408 L438	Q345-I347 HydrophobicContact CG-CD1 4Å; Q345-I347 HydrophobicContact CG-CG1 3.79Å; I347-I351 HydrophobicContact CG2-CD1 4Å; I347-I351 HydrophobicContact CG2-CG1 3.63Å; I347-Y352 HydrophobicContact CB-CD2 4.48Å; I347-Y352 HydrophobicContact CD1-CD2 4.24Å; I347-Y352 HydrophobicContact CD1-CE2 4.37Å; I347-Y352 HydrophobicContact CG2-CD2 4.15Å; I347-T408 HydrophobicContact CG1-CG2 4.06Å; I347-T408 HydrophobicContact CG2-CG2 4.3Å; I347-L438 HydrophobicContact CB-CB 4.43Å; I347-L438 PolarHBondContact N-O 2.73Å; I347-L438 WeakPolarHBondContact O-CD1 3.5Å; I347-L438 PolarHBondContact O-N 2.81Å
348	P	88.8	Confident	80.3	Confident	11 Å²	11	44.6 Å²	44.6	7%	0.071	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	141.7	166.2	-20.7	34.2	0	0	0	110.6	A350 I351 Y352 L375 L437	P348-A350 HydrophobicContact CB-CB 4.41Å; P348-A350 PolarHBondContact O-N 2.94Å; P348-A350 VanDerWaalsContact O-N 3.07Å; P348-I351 WeakPolarHBondContact O-CG1 3.38Å; P348-I351 PolarHBondContact O-N 2.78Å; P348-Y352 PolarHBondContact O-N 3.28Å; P348-L375 HydrophobicContact CG-CD1 3.83Å; P348-L375 HydrophobicContact CG-CG 3.99Å; P348-L437 HydrophobicContact CB-CD2 4.2Å; P348-L437 HydrophobicContact CG-CD2 4.22Å
349	L	83.5	Confident	79.8	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.005	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-48.8	-38.3	173.4	-179.3	64.7	0	0	0	111.9	I351 Y352 T355 L358 M359 L366 L436 L438	L349-I351 PolarHBondContact O-N 3.25Å; L349-Y352 WeakPolarHBondContact O-CB 3.48Å; L349-Y352 PolarHBondContact O-N 3.41Å; L349-T355 HydrophobicContact CD1-CG2 3.96Å; L349-T355 HydrophobicContact CG-CG2 4.32Å; L349-L358 HydrophobicContact CD1-CD2 3.92Å; L349-M359 HydrophobicContact CD2-SD 3.93Å; L349-L366 HydrophobicContact CD2-CD1 4.19Å; L349-L436 HydrophobicContact CB-CB 4.19Å; L349-L436 WeakPolarHBondContact CB-O 3.13Å; L349-L436 HydrophobicContact CD2-CB 4.37Å; L349-L436 HydrophobicContact CD2-CD1 4.46Å; L349-L436 HydrophobicContact CD2-CG 4.26Å; L349-L436 PolarHBondContact N-O 3.02Å; L349-L438 HydrophobicContact CB-CD1 4.05Å; L349-L438 HydrophobicContact CD1-CD1 4.28Å
350	A	81	Confident	79.1	Confident	19 Å²	19	51.1 Å²	51.1	16%	0.157	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-59.1	-9.7	179.4	0	0	0	0	0	116.6	P348 V370	P348-A350 HydrophobicContact CB-CB 4.41Å; P348-A350 PolarHBondContact O-N 2.94Å; P348-A350 VanDerWaalsContact O-N 3.07Å; A350-V370 HydrophobicContact CB-CB 4.03Å; A350-V370 HydrophobicContact CB-CG1 4.01Å; A350-V370 HydrophobicContact CB-CG2 3.81Å; A350-V370 WeakPolarHBondContact O-CG1 3.24Å
351	I	79.9	Confident	77.9	Confident	64 Å²	64	52 Å²	52	33%	0.328	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-129.1	10.8	172.1	66.3	172.2	0	0	0	112.2	I347 P348 L349 F407 T408	I347-I351 HydrophobicContact CG2-CD1 4Å; I347-I351 HydrophobicContact CG2-CG1 3.63Å; P348-I351 WeakPolarHBondContact O-CG1 3.38Å; P348-I351 PolarHBondContact O-N 2.78Å; L349-I351 PolarHBondContact O-N 3.25Å; I351-F407 HydrophobicContact CD1-CB 3.48Å; I351-F407 VanDerWaalsContact CD1-CB 3.48Å; I351-T408 HydrophobicContact CD1-CG2 4.05Å
352	Y	77.7	Confident	76.6	Confident	70 Å²	70	51.7 Å²	51.7	28%	0.275	28%	0.281	S	S	.	.			trans	-83.8	126.9	-175.9	-169.4	-94.1	0	0	0	110.5	I347 P348 L349 N354 T355 L358 L438	I347-Y352 HydrophobicContact CB-CD2 4.48Å; I347-Y352 HydrophobicContact CD1-CD2 4.24Å; I347-Y352 HydrophobicContact CD1-CE2 4.37Å; I347-Y352 HydrophobicContact CG2-CD2 4.15Å; P348-Y352 PolarHBondContact O-N 3.28Å; L349-Y352 WeakPolarHBondContact O-CB 3.48Å; L349-Y352 PolarHBondContact O-N 3.41Å; Y352-N354 PolarHBondContact O-N 3.28Å; Y352-T355 WeakPolarHBondContact O-CG2 3.26Å; Y352-L358 HydrophobicContact CE1-CD1 4.32Å; Y352-L438 HydrophobicContact CD1-CD2 4.29Å; Y352-L438 HydrophobicContact CD2-CD1 4.32Å; Y352-L438 HydrophobicContact CD2-CD2 3.74Å; Y352-L438 HydrophobicContact CD2-CG 4.46Å; Y352-L438 HydrophobicContact CE1-CD2 4.29Å; Y352-L438 HydrophobicContact CE2-CD2 3.75Å; Y352-L438 HydrophobicContact CG-CD1 4.35Å; Y352-L438 HydrophobicContact CG-CD2 4.02Å
353	P	73.6	Confident	74.9	Confident	102 Å²	102	56.1 Å²	56.1	66%	0.662	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	134.4	-178.3	27.4	-34.4	0	0	0	111.2
354	N	69	Low	73	Confident	112 Å²	112	63 Å²	63	60%	0.599	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	62.4	-178.4	-168	7.3	0	0	0	114	Y352 T356	Y352-N354 PolarHBondContact O-N 3.28Å; N354-T356 PolarHBondContact O-N 2.84Å; N354-T356 VanDerWaalsContact O-N 3.16Å; N354-T356 PolarHBondContact OD1-OG1 3.42Å
355	T	69.5	Low	71.3	Confident	26 Å²	26	72.7 Å²	72.7	16%	0.16	38%	0.382	C	S	.	.	H	α-helix	trans	-51.8	-34.3	174.2	54.9	0	0	0	0	113.2	L349 Y352 A357 L358 M359	L349-T355 HydrophobicContact CD1-CG2 3.96Å; L349-T355 HydrophobicContact CG-CG2 4.32Å; Y352-T355 WeakPolarHBondContact O-CG2 3.26Å; T355-A357 VanDerWaalsContact C-N 3.31Å; T355-A357 PolarHBondContact O-N 2.94Å; T355-A357 VanDerWaalsContact O-N 3.15Å; T355-L358 PolarHBondContact O-N 3.44Å; T355-M359 VanDerWaalsContact O-CG 3.27Å; T355-M359 WeakPolarHBondContact O-CG 3.28Å; T355-M359 PolarHBondContact O-N 2.82Å
356	T	69.5	Low	69.9	Low	85 Å²	85	71.4 Å²	71.4	52%	0.521	38%	0.376	S	S	.	.	H	α-helix	trans	-54.8	-38	-170.9	74.4	0	0	0	0	114.8	N354 L358 K360	N354-T356 PolarHBondContact O-N 2.84Å; N354-T356 VanDerWaalsContact O-N 3.16Å; N354-T356 PolarHBondContact OD1-OG1 3.42Å; T356-L358 VanDerWaalsContact C-N 3.33Å; T356-K360 WeakPolarHBondContact O-CG 3.19Å; T356-K360 PolarHBondContact O-N 2.97Å
357	A	66.1	Low	68.2	Low	61 Å²	61	73.7 Å²	73.7	50%	0.504	39%	0.39	S	S	.	.	H	α-helix	trans	-70.6	-31.6	179.2	0	0	0	0	0	112.2	T355	T355-A357 VanDerWaalsContact C-N 3.31Å; T355-A357 PolarHBondContact O-N 2.94Å; T355-A357 VanDerWaalsContact O-N 3.15Å
358	L	64.2	Low	66.6	Low	13 Å²	13	76.6 Å²	76.6	7%	0.068	41%	0.406	C	S	.	.	H	α-helix	trans	-85.9	-33.4	-178.4	-158.5	126.3	0	0	0	111.8	L349 Y352 T355 T356 K360 L361 L436 L438 M448	L349-L358 HydrophobicContact CD1-CD2 3.92Å; Y352-L358 HydrophobicContact CE1-CD1 4.32Å; T355-L358 PolarHBondContact O-N 3.44Å; T356-L358 VanDerWaalsContact C-N 3.33Å; L358-K360 VanDerWaalsContact C-N 3.26Å; L358-K360 PolarHBondContact O-N 3.4Å; L358-L361 WeakPolarHBondContact O-CB 3.47Å; L358-L361 PolarHBondContact O-N 2.8Å; L358-L361 VanDerWaalsContact O-N 3.09Å; L358-L436 HydrophobicContact CD2-CD1 3.5Å; L358-L436 VanDerWaalsContact CD2-CD1 3.5Å; L358-L438 HydrophobicContact CD1-CD2 3.49Å; L358-L438 VanDerWaalsContact CD1-CD2 3.49Å; L358-L438 HydrophobicContact CD2-CD2 3.98Å; L358-L438 HydrophobicContact CG-CD2 4.4Å; L358-M448 HydrophobicContact CD1-CE 3.82Å; L358-M448 HydrophobicContact CD1-SD 4.24Å; L358-M448 HydrophobicContact CD2-SD 4.1Å; L358-M448 HydrophobicContact CG-CE 4.25Å; L358-M448 HydrophobicContact CG-SD 4.22Å
359	M	65.6	Low	65	Low	45 Å²	45	80.3 Å²	80.3	22%	0.222	43%	0.425	C	S	.	.	H	α-helix	trans	-60.3	-34.6	172	-66.1	-72.5	-84.4	0	0	111.8	L349 T355 L361 F362 L366	L349-M359 HydrophobicContact CD2-SD 3.93Å; T355-M359 VanDerWaalsContact O-CG 3.27Å; T355-M359 WeakPolarHBondContact O-CG 3.28Å; T355-M359 PolarHBondContact O-N 2.82Å; M359-L361 PolarHBondContact O-N 2.91Å; M359-L361 VanDerWaalsContact O-N 3.11Å; M359-F362 CarbonylContact O-C 3.56Å; M359-F362 PolarHBondContact O-N 2.99Å; M359-F362 VanDerWaalsContact O-O 3.12Å; M359-L366 HydrophobicContact CE-CB 3.64Å; M359-L366 WeakPolarHBondContact CE-O 3.34Å; M359-L366 HydrophobicContact SD-CB 3.66Å; M359-L366 HydrophobicContact SD-CD1 3.69Å; M359-L366 HydrophobicContact SD-CG 4.33Å
360	K	64.4	Low	63.8	Low	183 Å²	183	83.9 Å²	83.9	80%	0.796	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-16.3	174.3	-75.1	177.6	179.3	-178.8	0	114.6	T356 L358	T356-K360 WeakPolarHBondContact O-CG 3.19Å; T356-K360 PolarHBondContact O-N 2.97Å; L358-K360 VanDerWaalsContact C-N 3.26Å; L358-K360 PolarHBondContact O-N 3.4Å
361	L	57.8	Low	63.5	Low	125 Å²	125	87.8 Å²	87.8	65%	0.654	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-13.1	172.7	-64.6	166.2	0	0	0	112.9	L358 M359 M448	L358-L361 WeakPolarHBondContact O-CB 3.47Å; L358-L361 PolarHBondContact O-N 2.8Å; L358-L361 VanDerWaalsContact O-N 3.09Å; M359-L361 PolarHBondContact O-N 2.91Å; M359-L361 VanDerWaalsContact O-N 3.11Å; L361-M448 HydrophobicContact CD1-CE 4.43Å
362	F	57.1	Low	63.9	Low	67 Å²	67	85.3 Å²	85.3	29%	0.294	45%	0.452	S	S	.	.	S	Bend	trans	-130.1	85.1	-175.1	-74.8	-93.1	0	0	0	110.6	M359 D364 L366 L436 M448 P450	M359-F362 CarbonylContact O-C 3.56Å; M359-F362 PolarHBondContact O-N 2.99Å; M359-F362 VanDerWaalsContact O-O 3.12Å; F362-D364 PolarHBondContact O-N 3.48Å; F362-D364 VanDerWaalsContact O-N 3.11Å; F362-L366 HydrophobicContact CB-CD1 3.47Å; F362-L366 VanDerWaalsContact CB-CD1 3.47Å; F362-L366 HydrophobicContact CB-CG 4.15Å; F362-L366 HydrophobicContact CG-CD1 4.02Å; F362-L436 HydrophobicContact CD1-CD2 4.22Å; F362-L436 HydrophobicContact CD2-CD1 3.85Å; F362-L436 HydrophobicContact CE1-CD2 4.07Å; F362-L436 HydrophobicContact CE2-CD1 3.94Å; F362-L436 HydrophobicContact CG-CD1 4.25Å; F362-L436 HydrophobicContact CZ-CD1 4.38Å; F362-L436 HydrophobicContact CZ-CD2 4.28Å; F362-M448 HydrophobicContact CE2-SD 3.61Å; F362-M448 HydrophobicContact CZ-CB 4.39Å; F362-M448 HydrophobicContact CZ-SD 4.21Å; F362-P450 HydrophobicContact CE1-CG 4.26Å
363	S	51.3	Low	64.4	Low	96 Å²	96	82.6 Å²	82.6	67%	0.671	44%	0.441	S	S	*	.			trans	-43.3	109	-175.3	40.1	0	0	0	0	115	R365	S363-R365 WeakPolarHBondContact O-CB 3.44Å; S363-R365 WeakPolarHBondContact O-CG 3.15Å; S363-R365 PolarHBondContact O-N 3.5Å
364	D	50	Low	65.2	Low	173 Å²	173	78 Å²	78	93%	0.925	41%	0.411	S	S	*	.	S	Bend	trans	43.9	4.6	163	-61.9	1.9	0	0	0	119.6	F362	F362-D364 PolarHBondContact O-N 3.48Å; F362-D364 VanDerWaalsContact O-N 3.11Å
365	R	56	Low	66.2	Low	207 Å²	207	72.9 Å²	72.9	78%	0.781	38%	0.384	S	S	*	.			trans	-106.1	6	-172.3	-69.9	177.1	178.7	-170.1	1.2	113.8	S363 S434	S363-R365 WeakPolarHBondContact O-CB 3.44Å; S363-R365 WeakPolarHBondContact O-CG 3.15Å; S363-R365 PolarHBondContact O-N 3.5Å; R365-S434 WeakPolarHBondContact O-CB 3.36Å; R365-S434 PolarHBondContact O-OG 3.01Å
366	L	61.9	Low	67	Low	19 Å²	19	73.1 Å²	73.1	10%	0.099	38%	0.382	C	S	.	.			trans	-100.2	125.9	174.2	-67.2	177.7	0	0	0	109	L349 M359 F362 S434 L436	L349-L366 HydrophobicContact CD2-CD1 4.19Å; M359-L366 HydrophobicContact CE-CB 3.64Å; M359-L366 WeakPolarHBondContact CE-O 3.34Å; M359-L366 HydrophobicContact SD-CB 3.66Å; M359-L366 HydrophobicContact SD-CD1 3.69Å; M359-L366 HydrophobicContact SD-CG 4.33Å; F362-L366 HydrophobicContact CB-CD1 3.47Å; F362-L366 VanDerWaalsContact CB-CD1 3.47Å; F362-L366 HydrophobicContact CB-CG 4.15Å; F362-L366 HydrophobicContact CG-CD1 4.02Å; L366-S434 WeakPolarHBondContact CA-OG 3.41Å; L366-L436 HydrophobicContact CD1-CD1 3.72Å; L366-L436 HydrophobicContact CD1-CD2 4.23Å; L366-L436 HydrophobicContact CD1-CG 3.77Å; L366-L436 HydrophobicContact CD2-CD2 4.13Å; L366-L436 HydrophobicContact CD2-CG 4.16Å
367	T	57.4	Low	67.6	Low	47 Å²	47	69.4 Å²	69.4	29%	0.288	36%	0.359	S	S	.	.			trans	-98.5	121.6	176.7	55	0	0	0	0	109.8	D369 S434	T367-D369 PolarHBondContact O-N 3.25Å; T367-S434 PolarHBondContact N-OG 2.75Å
368	D	54.5	Low	68.3	Low	83 Å²	83	66.8 Å²	66.8	44%	0.444	34%	0.337	S	S	.	.			trans	-77.2	28.9	-177.7	-144.5	9.8	0	0	0	113.1	V370	D368-V370 VanDerWaalsContact C-N 3.26Å; D368-V370 WeakPolarHBondContact O-CG2 3.45Å; D368-V370 PolarHBondContact O-N 3.21Å
369	D	55.3	Low	68.7	Low	88 Å²	88	70.1 Å²	70.1	47%	0.471	35%	0.352	S	S	.	.			trans	-80.1	80.7	176.4	-78	-39.4	0	0	0	109.5	T367 M372 R433	T367-D369 PolarHBondContact O-N 3.25Å; D369-M372 HydrophobicContact CB-SD 4.21Å; D369-M372 WeakPolarHBondContact O-CG 3.46Å; D369-R433 IonicContact OD2-CZ 2.79Å; D369-R433 IonicContact OD2-NH1 3.5Å; D369-R433 PolarHBondContact OD2-NH1 2.83Å; D369-R433 IonicContact OD2-NH2 3.11Å; D369-R433 PolarHBondContact OD2-NH2 2.91Å
370	V	58.1	Low	69.1	Low	76 Å²	76	71.6 Å²	71.6	46%	0.461	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.5	137.5	-176.5	161.1	0	0	0	0	113.4	A350 D368	A350-V370 HydrophobicContact CB-CB 4.03Å; A350-V370 HydrophobicContact CB-CG1 4.01Å; A350-V370 HydrophobicContact CB-CG2 3.81Å; A350-V370 WeakPolarHBondContact O-CG1 3.24Å; D368-V370 VanDerWaalsContact C-N 3.26Å; D368-V370 WeakPolarHBondContact O-CG2 3.45Å; D368-V370 PolarHBondContact O-N 3.21Å
371	L	74.5	Confident	69.6	Low	102 Å²	102	66.8 Å²	66.8	53%	0.534	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.8	-3.8	178.8	-55.9	173.3	0	0	0	119.5	F373	L371-F373 PolarHBondContact O-N 2.79Å
372	M	87.7	Confident	70.1	Confident	11 Å²	11	67.8 Å²	67.8	5%	0.054	34%	0.344	C	S	.	.	S	Bend	trans	-62.2	-29.6	173.7	-58.2	-174.6	84.6	0	0	113.2	D369 F425 L426 P427 S428 R433	D369-M372 HydrophobicContact CB-SD 4.21Å; D369-M372 WeakPolarHBondContact O-CG 3.46Å; M372-F425 HydrophobicContact CB-CD2 4.49Å; M372-F425 HydrophobicContact CB-CE2 4.23Å; M372-F425 HydrophobicContact CE-CE2 4.38Å; M372-F425 CarbonylContact O-C 3.5Å; M372-F425 WeakPolarHBondContact O-CA 3.36Å; M372-F425 WeakPolarHBondContact O-CD2 3.49Å; M372-L426 PolarHBondContact O-N 2.62Å; M372-P427 HydrophobicContact CE-CB 4.47Å; M372-S428 VanDerWaalsContact CE-OG 3.24Å; M372-S428 WeakPolarHBondContact CE-OG 3.4Å; M372-R433 HydrophobicContact CE-CB 4.3Å; M372-R433 HydrophobicContact CE-CG 3.69Å; M372-R433 HydrophobicContact SD-CB 4.04Å; M372-R433 HydrophobicContact SD-CG 3.73Å
373	F	89.6	Confident	70.6	Confident	13 Å²	13	65.8 Å²	65.8	6%	0.057	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	131.4	175.4	-59.2	-86.9	0	0	0	110.2	F319 L371 G424 F425 R433 S435 L451	F319-F373 HydrophobicContact CD2-CD1 4.09Å; F319-F373 AromaticContact CD2-CE1 3.78Å; F319-F373 HydrophobicContact CD2-CE1 3.78Å; F319-F373 AromaticContact CE2-CD1 3.74Å; F319-F373 HydrophobicContact CE2-CD1 3.74Å; F319-F373 AromaticContact CE2-CE1 3.9Å; F319-F373 HydrophobicContact CE2-CE1 3.9Å; F319-F373 HydrophobicContact CZ-CD1 4.43Å; L371-F373 PolarHBondContact O-N 2.79Å; F373-G424 CarbonylContact C-O 3.55Å; F373-G424 WeakPolarHBondContact CA-O 3.46Å; F373-F425 HydrophobicContact CD1-CB 4.26Å; F373-F425 AromaticContact CD1-CD2 3.68Å; F373-F425 HydrophobicContact CD1-CD2 3.68Å; F373-F425 HydrophobicContact CD1-CG 4.37Å; F373-F425 HydrophobicContact CE1-CB 4.33Å; F373-F425 AromaticContact CE1-CD2 3.35Å; F373-F425 HydrophobicContact CE1-CD2 3.35Å; F373-F425 AromaticContact CE1-CE2 3.91Å; F373-F425 HydrophobicContact CE1-CE2 3.91Å; F373-F425 HydrophobicContact CE1-CG 4.08Å; F373-F425 HydrophobicContact CE2-CD2 4.25Å; F373-F425 HydrophobicContact CE2-CE2 4.21Å; F373-F425 HydrophobicContact CG-CD2 4.27Å; F373-F425 AromaticContact CZ-CD2 3.68Å; F373-F425 HydrophobicContact CZ-CD2 3.68Å; F373-F425 AromaticContact CZ-CE2 3.74Å; F373-F425 HydrophobicContact CZ-CE2 3.74Å; F373-R433 HydrophobicContact CE2-CB 4.45Å; F373-S435 VanDerWaalsContact CD2-CB 3.41Å; F373-L451 HydrophobicContact CB-CD1 3.63Å; F373-L451 HydrophobicContact CD1-CB 3.79Å; F373-L451 HydrophobicContact CD1-CD1 3.59Å; F373-L451 HydrophobicContact CD1-CG 4.37Å; F373-L451 HydrophobicContact CE1-CB 3.76Å; F373-L451 HydrophobicContact CE1-CD1 4.41Å; F373-L451 HydrophobicContact CG-CB 4.29Å; F373-L451 HydrophobicContact CG-CD1 3.72Å; F373-L451 HydrophobicContact CZ-CB 4.26Å
374	S	89.1	Confident	71.6	Confident	5 Å²	5	67.2 Å²	67.2	4%	0.035	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	147	-167.8	57.3	0	0	0	0	113	R376 V423 G424 L426	S374-R376 WeakPolarHBondContact OG-CD 3.45Å; S374-R376 PolarHBondContact OG-NE 3.49Å; S374-V423 CarbonylContact O-C 3.35Å; S374-V423 WeakPolarHBondContact O-CA 3.38Å; S374-V423 WeakPolarHBondContact O-CG1 3.38Å; S374-G424 PolarHBondContact N-O 2.92Å; S374-G424 PolarHBondContact O-N 3.12Å; S374-G424 PolarHBondContact OG-O 3.13Å; S374-L426 WeakPolarHBondContact OG-CD1 3.43Å
375	L	89.8	Confident	72.6	Confident	5 Å²	5	68.6 Å²	68.6	3%	0.026	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	98.8	173.9	-64.4	176.7	0	0	0	109.1	I346 P348 D377 S378 Y381 L409 V423 L437	I346-L375 HydrophobicContact CB-CD1 4.2Å; I346-L375 HydrophobicContact CG2-CD1 3.85Å; I346-L375 HydrophobicContact CG2-CD2 4.16Å; P348-L375 HydrophobicContact CG-CD1 3.83Å; P348-L375 HydrophobicContact CG-CG 3.99Å; L375-D377 VanDerWaalsContact C-N 3.29Å; L375-D377 PolarHBondContact O-N 2.89Å; L375-S378 VanDerWaalsContact O-CB 3.27Å; L375-S378 WeakPolarHBondContact O-CB 3.25Å; L375-S378 PolarHBondContact O-N 2.84Å; L375-S378 VanDerWaalsContact O-N 3.14Å; L375-S378 PolarHBondContact O-OG 3.39Å; L375-Y381 WeakPolarHBondContact O-CD2 3.34Å; L375-L409 HydrophobicContact CB-CD1 4Å; L375-L409 HydrophobicContact CB-CD2 4.41Å; L375-L409 HydrophobicContact CB-CG 3.98Å; L375-L409 HydrophobicContact CD1-CD1 4.34Å; L375-L409 HydrophobicContact CD1-CG 3.95Å; L375-L409 HydrophobicContact CD2-CD1 4.25Å; L375-L409 HydrophobicContact CG-CD1 4.42Å; L375-L409 HydrophobicContact CG-CG 4.43Å; L375-V423 HydrophobicContact CD2-CG1 4.4Å; L375-V423 HydrophobicContact CD2-CG2 4.24Å; L375-L437 HydrophobicContact CD2-CD1 4.05Å; L375-L437 HydrophobicContact CD2-CD2 4.06Å
376	R	86.9	Confident	73.8	Confident	32 Å²	32	64.9 Å²	64.9	12%	0.121	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-1.4	-166.9	-62.5	-70	-138	168	9.5	114.8	F327 L329 S374 Y381 R422	F327-R376 VanDerWaalsContact CG-NH2 3.27Å; L329-R376 HydrophobicContact CD2-CB 4.3Å; L329-R376 HydrophobicContact CD2-CG 3.76Å; S374-R376 WeakPolarHBondContact OG-CD 3.45Å; S374-R376 PolarHBondContact OG-NE 3.49Å; R376-Y381 VanDerWaalsContact NH1-CE1 3.25Å; R376-R422 HydrophobicContact CB-CB 4.01Å; R376-R422 WeakPolarHBondContact CB-O 3.07Å; R376-R422 PolarHBondContact N-O 3Å; R376-R422 PolarHBondContact O-NH2 3.26Å
377	D	82.2	Confident	74.8	Confident	6 Å²	6	65 Å²	65	3%	0.032	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	12	166.3	-69.8	-62.1	0	0	0	113	L375 S387 V389 L409 R422	L375-D377 VanDerWaalsContact C-N 3.29Å; L375-D377 PolarHBondContact O-N 2.89Å; D377-S387 PolarHBondContact OD1-OG 3.05Å; D377-V389 HydrophobicContact CB-CB 4.3Å; D377-V389 HydrophobicContact CB-CG1 4.47Å; D377-V389 HydrophobicContact CB-CG2 4.04Å; D377-L409 VanDerWaalsContact C-CD2 3.49Å; D377-L409 HydrophobicContact CB-CD1 4.37Å; D377-L409 HydrophobicContact CB-CD2 4.43Å; D377-L409 WeakPolarHBondContact O-CD2 3.34Å; D377-R422 IonicContact OD1-CZ 2.77Å; D377-R422 VanDerWaalsContact OD1-CZ 3.27Å; D377-R422 IonicContact OD1-NE 3.62Å; D377-R422 PolarHBondContact OD1-NE 3.27Å; D377-R422 IonicContact OD1-NH2 2.64Å; D377-R422 PolarHBondContact OD1-NH2 2.72Å; D377-R422 VanDerWaalsContact OD2-CB 3.31Å; D377-R422 WeakPolarHBondContact OD2-CB 3.13Å; D377-R422 WeakPolarHBondContact OD2-CG 3.38Å; D377-R422 PolarHBondContact OD2-N 3.03Å; D377-R422 IonicContact OD2-NE 3.27Å; D377-R422 PolarHBondContact OD2-NE 2.85Å
378	S	79.6	Confident	76.3	Confident	6 Å²	6	65 Å²	65	4%	0.042	33%	0.334	C	S	.	.	S	Bend	trans	-83.6	163.2	174.4	65.7	0	0	0	0	111.5	L375 L380 Y381 R406 L409	L375-S378 VanDerWaalsContact O-CB 3.27Å; L375-S378 WeakPolarHBondContact O-CB 3.25Å; L375-S378 PolarHBondContact O-N 2.84Å; L375-S378 VanDerWaalsContact O-N 3.14Å; L375-S378 PolarHBondContact O-OG 3.39Å; S378-L380 PolarHBondContact O-N 2.71Å; S378-Y381 PolarHBondContact O-N 3Å; S378-Y381 VanDerWaalsContact O-N 3.13Å; S378-R406 WeakPolarHBondContact CB-O 3.48Å; S378-L409 VanDerWaalsContact CA-CD2 3.49Å
379	E	72.8	Confident	77.9	Confident	83 Å²	83	61.2 Å²	61.2	39%	0.388	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-58.5	-22.4	-179	-69	-175.8	-171.5	0	0	113.3	Y381 R393 R406	E379-Y381 VanDerWaalsContact C-N 3.32Å; E379-Y381 PolarHBondContact O-N 3.09Å; E379-R393 VanDerWaalsContact CD-NH2 3.29Å; E379-R393 IonicContact OE1-CZ 3.88Å; E379-R393 IonicContact OE1-NE 3.54Å; E379-R393 PolarHBondContact OE1-NE 2.76Å; E379-R393 IonicContact OE1-NH2 3.64Å; E379-R393 PolarHBondContact OE1-NH2 3.33Å; E379-R393 IonicContact OE2-NH2 3.1Å; E379-R406 HydrophobicContact CB-CB 4.36Å; E379-R406 HydrophobicContact CB-CG 4.46Å; E379-R406 VanDerWaalsContact OE2-CD 3.27Å; E379-R406 WeakPolarHBondContact OE2-CD 3.3Å; E379-R406 VanDerWaalsContact OE2-CG 3.26Å; E379-R406 WeakPolarHBondContact OE2-CG 3.45Å; E379-R406 IonicContact OE2-CZ 3.3Å; E379-R406 IonicContact OE2-NE 3.09Å; E379-R406 PolarHBondContact OE2-NE 2.9Å
380	L	75.1	Confident	79.4	Confident	76 Å²	76	59.4 Å²	59.4	40%	0.398	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-74.2	-14.7	179.4	-72.3	108.3	0	0	0	115.1	S378 R406 F407	S378-L380 PolarHBondContact O-N 2.71Å; L380-R406 HydrophobicContact CD1-CB 3.93Å; L380-F407 HydrophobicContact CD1-CB 4.15Å; L380-F407 HydrophobicContact CD1-CD1 3.45Å; L380-F407 VanDerWaalsContact CD1-CD1 3.45Å; L380-F407 HydrophobicContact CD1-CD2 4.25Å; L380-F407 HydrophobicContact CD1-CE1 3.85Å; L380-F407 HydrophobicContact CD1-CG 3.67Å; L380-F407 HydrophobicContact CD1-CZ 4.39Å; L380-F407 HydrophobicContact CD2-CD1 3.78Å; L380-F407 HydrophobicContact CD2-CE1 3.33Å; L380-F407 HydrophobicContact CD2-CZ 3.89Å; L380-F407 HydrophobicContact CG-CD1 4.27Å; L380-F407 HydrophobicContact CG-CE1 4.24Å
381	Y	73.7	Confident	80.9	Confident	82 Å²	82	62.3 Å²	62.3	32%	0.322	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-123.8	18.9	-170.5	-66.4	-65	0	0	0	114.2	L375 R376 S378 E379	L375-Y381 WeakPolarHBondContact O-CD2 3.34Å; R376-Y381 VanDerWaalsContact NH1-CE1 3.25Å; S378-Y381 PolarHBondContact O-N 3Å; S378-Y381 VanDerWaalsContact O-N 3.13Å; E379-Y381 VanDerWaalsContact C-N 3.32Å; E379-Y381 PolarHBondContact O-N 3.09Å
382	N	69.8	Low	81.7	Confident	146 Å²	146	57.7 Å²	57.7	78%	0.781	29%	0.285	S	S	*	.			trans	45	76.9	-176.1	-71.5	-8.5	0	0	0	111.6	K384	N382-K384 PolarHBondContact O-N 2.74Å
383	A	68.1	Low	81.8	Confident	26 Å²	26	57.8 Å²	57.8	22%	0.215	29%	0.285	C	S	.	.			trans	-47.9	133.7	176.1	0	0	0	0	0	110.7	P390	A383-P390 HydrophobicContact CB-CG 3.77Å
384	K	72.2	Confident	81.8	Confident	125 Å²	125	64.2 Å²	64.2	54%	0.543	31%	0.309	S	S	.	.			trans	-51.4	146.3	177.1	-87.2	-171.1	152.8	-139.5	0	110.2	N382 D386 S387	N382-K384 PolarHBondContact O-N 2.74Å; K384-D386 IonicContact NZ-OD2 2.69Å; K384-D386 PolarHBondContact O-N 2.69Å; K384-S387 WeakPolarHBondContact O-CA 3.4Å; K384-S387 WeakPolarHBondContact O-CB 3.38Å; K384-S387 PolarHBondContact O-N 3.06Å
385	Q	70.7	Confident	81.8	Confident	202 Å²	202	66.7 Å²	66.7	94%	0.944	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-34	177.3	-61.5	-176.9	8.1	0	0	112	S387	Q385-S387 PolarHBondContact O-N 3.46Å
386	D	80.4	Confident	81.7	Confident	130 Å²	130	67.1 Å²	67.1	70%	0.695	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-16.3	174.3	-33.1	-52.9	0	0	0	114.3	K384 P388	K384-D386 IonicContact NZ-OD2 2.69Å; K384-D386 PolarHBondContact O-N 2.69Å; D386-P388 WeakPolarHBondContact O-CD 3.4Å
387	S	83.6	Confident	81.8	Confident	20 Å²	20	67.3 Å²	67.3	14%	0.14	32%	0.324	C	S	.	.			trans	-77.3	119.4	-174.4	-165.5	0	0	0	0	109.8	D377 K384 Q385 V389 P390	D377-S387 PolarHBondContact OD1-OG 3.05Å; K384-S387 WeakPolarHBondContact O-CA 3.4Å; K384-S387 WeakPolarHBondContact O-CB 3.38Å; K384-S387 PolarHBondContact O-N 3.06Å; Q385-S387 PolarHBondContact O-N 3.46Å; S387-V389 PolarHBondContact O-N 2.95Å; S387-V389 WeakPolarHBondContact OG-CG2 3.31Å; S387-P390 WeakPolarHBondContact O-CD 3.12Å
388	P	87.9	Confident	82.2	Confident	49 Å²	49	73.7 Å²	73.7	32%	0.318	36%	0.359	S	S	.	.	S	Bend	trans	-74.1	-8.7	177.7	32.4	-37.3	0	0	0	112.4	D386 R391 L392 L419	D386-P388 WeakPolarHBondContact O-CD 3.4Å; P388-R391 WeakPolarHBondContact O-CB 3.41Å; P388-R391 PolarHBondContact O-N 3.16Å; P388-L392 HydrophobicContact CB-CD1 4.21Å; P388-L392 HydrophobicContact CG-CD1 4.44Å; P388-L392 WeakPolarHBondContact O-CG 3.31Å; P388-L392 PolarHBondContact O-N 3.18Å; P388-L419 HydrophobicContact CG-CD1 3.51Å
389	V	88.9	Confident	82.4	Confident	2 Å²	2	79 Å²	79	1%	0.012	39%	0.385	C	S	.	.	H	α-helix	trans	-56.8	-46.7	-174.2	-176.2	0	0	0	0	112.7	D377 S387 R391 L392 R393 L409 L419 L421	D377-V389 HydrophobicContact CB-CB 4.3Å; D377-V389 HydrophobicContact CB-CG1 4.47Å; D377-V389 HydrophobicContact CB-CG2 4.04Å; S387-V389 PolarHBondContact O-N 2.95Å; S387-V389 WeakPolarHBondContact OG-CG2 3.31Å; V389-R391 PolarHBondContact O-N 3.13Å; V389-L392 PolarHBondContact O-N 3.12Å; V389-R393 WeakPolarHBondContact O-CB 3.39Å; V389-R393 PolarHBondContact O-N 3.26Å; V389-L409 HydrophobicContact CG1-CD2 4.17Å; V389-L419 HydrophobicContact CG2-CD1 4.14Å; V389-L419 HydrophobicContact CG2-CD2 4.38Å; V389-L421 HydrophobicContact CG2-CD2 3.4Å
390	P	87.5	Confident	82.8	Confident	50 Å²	50	78.9 Å²	78.9	33%	0.325	39%	0.39	S	S	.	.	H	α-helix	trans	-68.5	-14.6	178	-19	34.7	0	0	0	113.8	A383 S387 R394	A383-P390 HydrophobicContact CB-CG 3.77Å; S387-P390 WeakPolarHBondContact O-CD 3.12Å; P390-R394 PolarHBondContact O-NE 3.03Å; P390-R394 PolarHBondContact O-NH2 3.15Å
391	R	88.9	Confident	83.2	Confident	138 Å²	138	78.7 Å²	78.7	52%	0.521	41%	0.406	S	S	.	.	H	α-helix	trans	-84.7	-51.3	170.5	-161.2	-170.4	74	-149.1	-1.7	110.5	P388 V389 R393 R394 E395	P388-R391 WeakPolarHBondContact O-CB 3.41Å; P388-R391 PolarHBondContact O-N 3.16Å; V389-R391 PolarHBondContact O-N 3.13Å; R391-R393 PolarHBondContact O-N 3.38Å; R391-R394 PolarHBondContact O-N 3.32Å; R391-R394 VanDerWaalsContact O-N 3.09Å; R391-E395 IonicContact CZ-OE1 2.98Å; R391-E395 IonicContact NE-OE1 2.71Å; R391-E395 PolarHBondContact NE-OE1 2.89Å; R391-E395 IonicContact NH2-OE1 3.7Å; R391-E395 WeakPolarHBondContact O-CG 3.42Å; R391-E395 PolarHBondContact O-N 3.49Å
392	L	91.5	Very high	83.6	Confident	5 Å²	5	78.7 Å²	78.7	3%	0.026	42%	0.415	C	S	.	.	H	α-helix	trans	-62.6	-27.4	179.2	-62	170.8	0	0	0	113.1	P388 V389 L396 F411 L413 M417 L419	P388-L392 HydrophobicContact CB-CD1 4.21Å; P388-L392 HydrophobicContact CG-CD1 4.44Å; P388-L392 WeakPolarHBondContact O-CG 3.31Å; P388-L392 PolarHBondContact O-N 3.18Å; V389-L392 PolarHBondContact O-N 3.12Å; L392-L396 PolarHBondContact O-N 3.43Å; L392-L396 VanDerWaalsContact O-N 3.12Å; L392-F411 HydrophobicContact CB-CB 3.7Å; L392-L413 HydrophobicContact CD1-CD2 4.49Å; L392-M417 HydrophobicContact CD1-CE 3.9Å; L392-M417 HydrophobicContact CD2-CE 4.06Å; L392-L419 HydrophobicContact CD1-CD1 4.44Å; L392-L419 HydrophobicContact CD1-CD2 4.12Å
393	R	89.6	Confident	84.3	Confident	13 Å²	13	77.8 Å²	77.8	5%	0.049	42%	0.415	C	S	.	.	H	α-helix	trans	-66.7	-49.3	171.4	-178.5	174.7	156.7	91.4	10.9	111.6	E379 V389 R391 E395 L396 E397 I404 P405 T408	E379-R393 VanDerWaalsContact CD-NH2 3.29Å; E379-R393 IonicContact OE1-CZ 3.88Å; E379-R393 IonicContact OE1-NE 3.54Å; E379-R393 PolarHBondContact OE1-NE 2.76Å; E379-R393 IonicContact OE1-NH2 3.64Å; E379-R393 PolarHBondContact OE1-NH2 3.33Å; E379-R393 IonicContact OE2-NH2 3.1Å; V389-R393 WeakPolarHBondContact O-CB 3.39Å; V389-R393 PolarHBondContact O-N 3.26Å; R391-R393 PolarHBondContact O-N 3.38Å; R393-E395 PolarHBondContact O-N 3.48Å; R393-L396 CarbonylContact O-C 3.59Å; R393-L396 WeakPolarHBondContact O-CA 3.24Å; R393-L396 WeakPolarHBondContact O-CB 3.48Å; R393-L396 PolarHBondContact O-N 3.33Å; R393-L396 VanDerWaalsContact O-N 3.09Å; R393-E397 IonicContact CZ-OE1 2.73Å; R393-E397 IonicContact NH2-OE1 3.4Å; R393-E397 WeakPolarHBondContact O-CG 3.43Å; R393-E397 PolarHBondContact O-N 3.4Å; R393-I404 HydrophobicContact CG-CD1 3.84Å; R393-I404 PolarHBondContact NH1-O 3.37Å; R393-I404 PolarHBondContact NH2-O 3.15Å; R393-P405 PolarHBondContact NH1-O 3.06Å; R393-P405 VanDerWaalsContact NH1-O 3.13Å; R393-T408 PolarHBondContact NH1-O 3.43Å
394	R	88.8	Confident	85.1	Confident	147 Å²	147	77.3 Å²	77.3	56%	0.555	41%	0.408	S	S	*	.	H	α-helix	trans	-64.5	-37.4	173.9	-76.6	177	-73.3	157.1	-4.4	112.7	P390 R391 L396 E397 N398	P390-R394 PolarHBondContact O-NE 3.03Å; P390-R394 PolarHBondContact O-NH2 3.15Å; R391-R394 PolarHBondContact O-N 3.32Å; R391-R394 VanDerWaalsContact O-N 3.09Å; R394-L396 PolarHBondContact O-N 2.96Å; R394-E397 PolarHBondContact O-N 2.85Å; R394-N398 WeakPolarHBondContact O-CB 3.22Å; R394-N398 VanDerWaalsContact O-CG 3.26Å; R394-N398 PolarHBondContact O-N 3.28Å
395	E	89.5	Confident	85.8	Confident	58 Å²	58	74.9 Å²	74.9	27%	0.271	41%	0.406	S	S	.	.	H	α-helix	trans	-56.9	-39.2	170.9	-70.5	173.5	-127.3	0	0	110.8	R391 R393 I399 R414	R391-E395 IonicContact CZ-OE1 2.98Å; R391-E395 IonicContact NE-OE1 2.71Å; R391-E395 PolarHBondContact NE-OE1 2.89Å; R391-E395 IonicContact NH2-OE1 3.7Å; R391-E395 WeakPolarHBondContact O-CG 3.42Å; R391-E395 PolarHBondContact O-N 3.49Å; R393-E395 PolarHBondContact O-N 3.48Å; E395-I399 VanDerWaalsContact O-CD1 3.26Å; E395-I399 WeakPolarHBondContact O-CD1 3.43Å; E395-I399 VanDerWaalsContact O-CG1 3.29Å; E395-I399 WeakPolarHBondContact O-CG1 3.49Å; E395-R414 IonicContact OE2-NH2 3.63Å
396	L	87.7	Confident	86.4	Confident	13 Å²	13	73 Å²	73	7%	0.068	39%	0.39	C	S	.	.	H	α-helix	trans	-75.1	-41.7	175.2	176.3	64.4	0	0	0	113.4	L392 R393 R394 N398 I399 V400 I404 S410 F412	L392-L396 PolarHBondContact O-N 3.43Å; L392-L396 VanDerWaalsContact O-N 3.12Å; R393-L396 CarbonylContact O-C 3.59Å; R393-L396 WeakPolarHBondContact O-CA 3.24Å; R393-L396 WeakPolarHBondContact O-CB 3.48Å; R393-L396 PolarHBondContact O-N 3.33Å; R393-L396 VanDerWaalsContact O-N 3.09Å; R394-L396 PolarHBondContact O-N 2.96Å; L396-N398 VanDerWaalsContact C-N 3.31Å; L396-N398 PolarHBondContact O-N 3.05Å; L396-I399 PolarHBondContact O-N 3.02Å; L396-V400 HydrophobicContact CD1-CG2 3.55Å; L396-V400 HydrophobicContact CG-CG2 4.16Å; L396-V400 WeakPolarHBondContact O-CG2 3.31Å; L396-V400 PolarHBondContact O-N 3.2Å; L396-I404 HydrophobicContact CB-CD1 4.15Å; L396-I404 HydrophobicContact CD2-CD1 3.65Å; L396-I404 HydrophobicContact CG-CD1 3.88Å; L396-S410 VanDerWaalsContact CD2-C 3.48Å; L396-F412 HydrophobicContact CB-CD2 4.19Å; L396-F412 HydrophobicContact CD1-CD2 3.55Å; L396-F412 HydrophobicContact CD1-CE2 3.26Å; L396-F412 HydrophobicContact CD1-CG 4.44Å; L396-F412 HydrophobicContact CD1-CZ 3.97Å; L396-F412 HydrophobicContact CG-CD2 4.45Å; L396-F412 HydrophobicContact CG-CE2 4.49Å
397	E	89.2	Confident	86.5	Confident	36 Å²	36	72.2 Å²	72.2	17%	0.168	38%	0.38	C	S	.	.	H	α-helix	trans	-60.4	-41	179.1	-72.1	174.7	139.3	0	0	111.7	R393 R394 I399 V400 G401 I404	R393-E397 IonicContact CZ-OE1 2.73Å; R393-E397 IonicContact NH2-OE1 3.4Å; R393-E397 WeakPolarHBondContact O-CG 3.43Å; R393-E397 PolarHBondContact O-N 3.4Å; R394-E397 PolarHBondContact O-N 2.85Å; E397-I399 VanDerWaalsContact C-N 3.25Å; E397-I399 PolarHBondContact O-N 3.34Å; E397-V400 PolarHBondContact O-N 2.87Å; E397-G401 PolarHBondContact O-N 2.78Å; E397-I404 HydrophobicContact CG-CB 4.34Å; E397-I404 HydrophobicContact CG-CD1 3.42Å; E397-I404 VanDerWaalsContact CG-CD1 3.42Å; E397-I404 HydrophobicContact CG-CG1 3.66Å; E397-I404 PolarHBondContact OE1-N 2.79Å
398	N	89.5	Confident	86.7	Confident	141 Å²	141	71.5 Å²	71.5	75%	0.754	38%	0.376	S	S	*	.	H	α-helix	trans	-64.3	-26.7	174.9	-69.6	-4.8	0	0	0	113.4	R394 L396	R394-N398 WeakPolarHBondContact O-CB 3.22Å; R394-N398 VanDerWaalsContact O-CG 3.26Å; R394-N398 PolarHBondContact O-N 3.28Å; L396-N398 VanDerWaalsContact C-N 3.31Å; L396-N398 PolarHBondContact O-N 3.05Å
399	I	83.8	Confident	86.9	Confident	116 Å²	116	69.2 Å²	69.2	60%	0.595	36%	0.361	S	S	*	.	H	α-helix	trans	-86.9	-35.4	179.7	-68.1	166.8	0	0	0	111.5	E395 L396 E397 F412	E395-I399 VanDerWaalsContact O-CD1 3.26Å; E395-I399 WeakPolarHBondContact O-CD1 3.43Å; E395-I399 VanDerWaalsContact O-CG1 3.29Å; E395-I399 WeakPolarHBondContact O-CG1 3.49Å; L396-I399 PolarHBondContact O-N 3.02Å; E397-I399 VanDerWaalsContact C-N 3.25Å; E397-I399 PolarHBondContact O-N 3.34Å; I399-F412 HydrophobicContact CB-CE2 4.08Å; I399-F412 HydrophobicContact CD1-CD2 3.79Å; I399-F412 HydrophobicContact CD1-CE2 3.6Å; I399-F412 HydrophobicContact CG1-CE2 4.45Å; I399-F412 HydrophobicContact CG2-CE2 3.8Å; I399-F412 HydrophobicContact CG2-CZ 4.21Å
400	V	82.1	Confident	87	Confident	82 Å²	82	69.3 Å²	69.3	50%	0.497	36%	0.361	S	S	.	.	H	α-helix	trans	-88.7	-23.1	-177.5	-176.8	0	0	0	0	112.2	L396 E397 T402	L396-V400 HydrophobicContact CD1-CG2 3.55Å; L396-V400 HydrophobicContact CG-CG2 4.16Å; L396-V400 WeakPolarHBondContact O-CG2 3.31Å; L396-V400 PolarHBondContact O-N 3.2Å; E397-V400 PolarHBondContact O-N 2.87Å; V400-T402 VanDerWaalsContact C-N 3.26Å; V400-T402 HydrophobicContact CG1-CG2 4.43Å; V400-T402 WeakPolarHBondContact CG1-OG1 3.4Å; V400-T402 PolarHBondContact O-N 3.13Å
401	G	83.8	Confident	87.2	Confident	71 Å²	71	67 Å²	67	73%	0.732	35%	0.346	S	S	*	.	S	Bend	trans	74.6	13.1	-177.9	0	0	0	0	0	114.2	E397	E397-G401 PolarHBondContact O-N 2.78Å
402	T	82.4	Confident	87.2	Confident	83 Å²	83	63 Å²	63	51%	0.509	33%	0.333	S	S	.	.	S	Bend	trans	-136.5	141.7	-178.1	68	0	0	0	0	111.4	V400 I404	V400-T402 VanDerWaalsContact C-N 3.26Å; V400-T402 HydrophobicContact CG1-CG2 4.43Å; V400-T402 WeakPolarHBondContact CG1-OG1 3.4Å; V400-T402 PolarHBondContact O-N 3.13Å; T402-I404 PolarHBondContact O-N 3.41Å
403	T	84.8	Confident	87.2	Confident	126 Å²	126	62.8 Å²	62.8	77%	0.773	33%	0.332	S	S	*	.	P	Polyproline II helix	trans	-63.1	129.5	172.7	55	0	0	0	0	111.8
404	I	85	Confident	87.3	Confident	16 Å²	16	70.1 Å²	70.1	8%	0.082	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-79.1	141.3	178.2	-62.9	158	0	0	0	109.3	R393 L396 E397 T402 R406 T408 S410	R393-I404 HydrophobicContact CG-CD1 3.84Å; R393-I404 PolarHBondContact NH1-O 3.37Å; R393-I404 PolarHBondContact NH2-O 3.15Å; L396-I404 HydrophobicContact CB-CD1 4.15Å; L396-I404 HydrophobicContact CD2-CD1 3.65Å; L396-I404 HydrophobicContact CG-CD1 3.88Å; E397-I404 HydrophobicContact CG-CB 4.34Å; E397-I404 HydrophobicContact CG-CD1 3.42Å; E397-I404 VanDerWaalsContact CG-CD1 3.42Å; E397-I404 HydrophobicContact CG-CG1 3.66Å; E397-I404 PolarHBondContact OE1-N 2.79Å; T402-I404 PolarHBondContact O-N 3.41Å; I404-R406 PolarHBondContact O-N 3.38Å; I404-T408 WeakPolarHBondContact CG2-OG1 3.39Å; I404-S410 WeakPolarHBondContact CG2-OG 3.27Å
405	P	85.3	Confident	87.3	Confident	75 Å²	75	66.1 Å²	66.1	49%	0.487	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-55	129	175.8	-26.4	35	0	0	0	112.5	R393 F407 T408	R393-P405 PolarHBondContact NH1-O 3.06Å; R393-P405 VanDerWaalsContact NH1-O 3.13Å; P405-F407 VanDerWaalsContact C-N 3.25Å; P405-F407 PolarHBondContact O-N 3.47Å; P405-T408 HydrophobicContact CB-CG2 4.15Å; P405-T408 PolarHBondContact O-N 2.89Å; P405-T408 PolarHBondContact O-OG1 2.91Å
406	R	84.9	Confident	87.2	Confident	162 Å²	162	66.2 Å²	66.2	61%	0.611	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-34.8	-173.7	-66.7	-160.9	159.7	139.8	4.6	114.2	S378 E379 L380 I404 T408	S378-R406 WeakPolarHBondContact CB-O 3.48Å; E379-R406 HydrophobicContact CB-CB 4.36Å; E379-R406 HydrophobicContact CB-CG 4.46Å; E379-R406 VanDerWaalsContact OE2-CD 3.27Å; E379-R406 WeakPolarHBondContact OE2-CD 3.3Å; E379-R406 VanDerWaalsContact OE2-CG 3.26Å; E379-R406 WeakPolarHBondContact OE2-CG 3.45Å; E379-R406 IonicContact OE2-CZ 3.3Å; E379-R406 IonicContact OE2-NE 3.09Å; E379-R406 PolarHBondContact OE2-NE 2.9Å; L380-R406 HydrophobicContact CD1-CB 3.93Å; I404-R406 PolarHBondContact O-N 3.38Å; R406-T408 PolarHBondContact O-N 3.35Å
407	F	82.2	Confident	87.4	Confident	113 Å²	113	68 Å²	68	50%	0.496	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-4.8	-179.5	-54	-96.3	0	0	0	113.9	I351 L380 P405	I351-F407 HydrophobicContact CD1-CB 3.48Å; I351-F407 VanDerWaalsContact CD1-CB 3.48Å; L380-F407 HydrophobicContact CD1-CB 4.15Å; L380-F407 HydrophobicContact CD1-CD1 3.45Å; L380-F407 VanDerWaalsContact CD1-CD1 3.45Å; L380-F407 HydrophobicContact CD1-CD2 4.25Å; L380-F407 HydrophobicContact CD1-CE1 3.85Å; L380-F407 HydrophobicContact CD1-CG 3.67Å; L380-F407 HydrophobicContact CD1-CZ 4.39Å; L380-F407 HydrophobicContact CD2-CD1 3.78Å; L380-F407 HydrophobicContact CD2-CE1 3.33Å; L380-F407 HydrophobicContact CD2-CZ 3.89Å; L380-F407 HydrophobicContact CG-CD1 4.27Å; L380-F407 HydrophobicContact CG-CE1 4.24Å; P405-F407 VanDerWaalsContact C-N 3.25Å; P405-F407 PolarHBondContact O-N 3.47Å
408	T	88.2	Confident	87.6	Confident	6 Å²	6	72.8 Å²	72.8	4%	0.037	39%	0.391	C	S	.	.	S	Bend	trans	-111.4	146.9	-179.9	67.3	0	0	0	0	111.4	I346 I347 I351 R393 I404 P405 R406	I346-T408 WeakPolarHBondContact O-CA 3.3Å; I346-T408 WeakPolarHBondContact O-CB 3.23Å; I347-T408 HydrophobicContact CG1-CG2 4.06Å; I347-T408 HydrophobicContact CG2-CG2 4.3Å; I351-T408 HydrophobicContact CD1-CG2 4.05Å; R393-T408 PolarHBondContact NH1-O 3.43Å; I404-T408 WeakPolarHBondContact CG2-OG1 3.39Å; P405-T408 HydrophobicContact CB-CG2 4.15Å; P405-T408 PolarHBondContact O-N 2.89Å; P405-T408 PolarHBondContact O-OG1 2.91Å; R406-T408 PolarHBondContact O-N 3.35Å
409	L	90.9	Very high	87.7	Confident	1 Å²	1	66.3 Å²	66.3	1%	0.005	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	111.6	167.9	-54.3	-176.8	0	0	0	108	Q345 I346 L375 D377 S378 V389 F411 L421	Q345-L409 CarbonylContact C-O 3.45Å; Q345-L409 WeakPolarHBondContact CA-O 3.48Å; I346-L409 HydrophobicContact CB-CB 4.29Å; I346-L409 HydrophobicContact CD1-CB 4.34Å; I346-L409 PolarHBondContact N-O 2.8Å; I346-L409 PolarHBondContact O-N 2.72Å; L375-L409 HydrophobicContact CB-CD1 4Å; L375-L409 HydrophobicContact CB-CD2 4.41Å; L375-L409 HydrophobicContact CB-CG 3.98Å; L375-L409 HydrophobicContact CD1-CD1 4.34Å; L375-L409 HydrophobicContact CD1-CG 3.95Å; L375-L409 HydrophobicContact CD2-CD1 4.25Å; L375-L409 HydrophobicContact CG-CD1 4.42Å; L375-L409 HydrophobicContact CG-CG 4.43Å; D377-L409 VanDerWaalsContact C-CD2 3.49Å; D377-L409 HydrophobicContact CB-CD1 4.37Å; D377-L409 HydrophobicContact CB-CD2 4.43Å; D377-L409 WeakPolarHBondContact O-CD2 3.34Å; S378-L409 VanDerWaalsContact CA-CD2 3.49Å; V389-L409 HydrophobicContact CG1-CD2 4.17Å; L409-F411 HydrophobicContact CB-CD1 4.45Å; L409-F411 HydrophobicContact CB-CE1 4.01Å; L409-L421 HydrophobicContact CD1-CD1 4.02Å; L409-L421 HydrophobicContact CD1-CD2 4.15Å; L409-L421 HydrophobicContact CD1-CG 4.5Å
410	S	91.1	Very high	88.1	Confident	4 Å²	4	63.5 Å²	63.5	3%	0.028	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	137.2	173.5	-40.2	0	0	0	0	110.9	I344 Q345 L396 I404	I344-S410 CarbonylContact O-C 3.53Å; I344-S410 WeakPolarHBondContact O-CA 3.3Å; I344-S410 WeakPolarHBondContact O-CB 3.49Å; Q345-S410 WeakPolarHBondContact CB-OG 3.17Å; Q345-S410 WeakPolarHBondContact CG-OG 3.42Å; L396-S410 VanDerWaalsContact CD2-C 3.48Å; I404-S410 WeakPolarHBondContact CG2-OG 3.27Å
411	F	91.4	Very high	88.6	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.9	161.7	-172.9	45	-97.5	0	0	0	111.1	I334 I344 I346 L392 L409 L413 L419 L421	I334-F411 HydrophobicContact CD1-CZ 4.39Å; I344-F411 HydrophobicContact CB-CD2 4.11Å; I344-F411 HydrophobicContact CB-CE2 3.66Å; I344-F411 HydrophobicContact CB-CZ 4.16Å; I344-F411 HydrophobicContact CD1-CE2 3.87Å; I344-F411 HydrophobicContact CG1-CE2 4.27Å; I344-F411 HydrophobicContact CG2-CE2 3.84Å; I344-F411 HydrophobicContact CG2-CZ 3.85Å; I344-F411 PolarHBondContact N-O 3.38Å; I344-F411 PolarHBondContact O-N 2.96Å; I346-F411 HydrophobicContact CD1-CE1 4.23Å; I346-F411 HydrophobicContact CD1-CZ 4.1Å; L392-F411 HydrophobicContact CB-CB 3.7Å; L409-F411 HydrophobicContact CB-CD1 4.45Å; L409-F411 HydrophobicContact CB-CE1 4.01Å; F411-L413 HydrophobicContact CD2-CD2 4.04Å; F411-L413 HydrophobicContact CD2-CG 3.94Å; F411-L413 HydrophobicContact CE2-CD1 4.18Å; F411-L413 HydrophobicContact CE2-CD2 4.24Å; F411-L413 HydrophobicContact CE2-CG 3.94Å; F411-L419 HydrophobicContact CD1-CD2 4.05Å; F411-L419 HydrophobicContact CD2-CD2 3.78Å; F411-L419 HydrophobicContact CE1-CD2 3.88Å; F411-L419 HydrophobicContact CE2-CD2 3.59Å; F411-L419 HydrophobicContact CG-CD2 4.02Å; F411-L419 HydrophobicContact CZ-CD2 3.66Å; F411-L421 HydrophobicContact CE1-CD1 4Å; F411-L421 HydrophobicContact CE1-CD2 4.44Å; F411-L421 HydrophobicContact CZ-CD1 3.92Å
412	F	89	Confident	88.9	Confident	56 Å²	56	58.1 Å²	58.1	25%	0.246	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	140.3	164.2	-83.1	-72.1	0	0	0	111.3	A343 L396 I399	A343-F412 HydrophobicContact CB-CD1 3.97Å; A343-F412 HydrophobicContact CB-CE1 3.62Å; A343-F412 HydrophobicContact CB-CZ 4.25Å; L396-F412 HydrophobicContact CB-CD2 4.19Å; L396-F412 HydrophobicContact CD1-CD2 3.55Å; L396-F412 HydrophobicContact CD1-CE2 3.26Å; L396-F412 HydrophobicContact CD1-CG 4.44Å; L396-F412 HydrophobicContact CD1-CZ 3.97Å; L396-F412 HydrophobicContact CG-CD2 4.45Å; L396-F412 HydrophobicContact CG-CE2 4.49Å; I399-F412 HydrophobicContact CB-CE2 4.08Å; I399-F412 HydrophobicContact CD1-CD2 3.79Å; I399-F412 HydrophobicContact CD1-CE2 3.6Å; I399-F412 HydrophobicContact CG1-CE2 4.45Å; I399-F412 HydrophobicContact CG2-CE2 3.8Å; I399-F412 HydrophobicContact CG2-CZ 4.21Å
413	L	92.5	Very high	89.4	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	125.8	163.3	-66.2	-173.3	0	0	0	110.6	I334 N336 V342 I344 L392 F411 M417 L419	I334-L413 HydrophobicContact CG2-CD1 3.87Å; N336-L413 HydrophobicContact CB-CB 3.91Å; N336-L413 PolarHBondContact ND2-O 2.85Å; V342-L413 PolarHBondContact N-O 3.26Å; V342-L413 PolarHBondContact O-N 3.12Å; I344-L413 HydrophobicContact CD1-CB 4.37Å; I344-L413 HydrophobicContact CD1-CD1 3.67Å; I344-L413 HydrophobicContact CD1-CG 3.94Å; L392-L413 HydrophobicContact CD1-CD2 4.49Å; F411-L413 HydrophobicContact CD2-CD2 4.04Å; F411-L413 HydrophobicContact CD2-CG 3.94Å; F411-L413 HydrophobicContact CE2-CD1 4.18Å; F411-L413 HydrophobicContact CE2-CD2 4.24Å; F411-L413 HydrophobicContact CE2-CG 3.94Å; L413-M417 HydrophobicContact CB-CB 4.36Å; L413-M417 HydrophobicContact CD2-CE 3.95Å; L413-M417 HydrophobicContact CD2-CG 4.1Å; L413-M417 HydrophobicContact CD2-SD 3.82Å; L413-L419 HydrophobicContact CD1-CB 4.32Å; L413-L419 HydrophobicContact CD2-CB 3.9Å; L413-L419 HydrophobicContact CD2-CD2 4.04Å
414	R	91.9	Very high	89.8	Confident	167 Å²	167	48.2 Å²	48.2	63%	0.63	24%	0.236	S	C	*	.			trans	-66.2	161.9	173.6	-58.4	-176.5	-168.5	-175.1	3.4	110.7	N336 E395 A416 M417	N336-R414 WeakPolarHBondContact CB-O 3.26Å; N336-R414 PolarHBondContact ND2-O 2.89Å; N336-R414 VanDerWaalsContact ND2-O 3.15Å; E395-R414 IonicContact OE2-NH2 3.63Å; R414-A416 PolarHBondContact O-N 3.49Å; R414-M417 HydrophobicContact CB-CB 4.31Å; R414-M417 HydrophobicContact CB-SD 4.25Å; R414-M417 HydrophobicContact CG-SD 4.36Å; R414-M417 WeakPolarHBondContact O-CB 3.29Å; R414-M417 PolarHBondContact O-N 3.18Å
415	P	88.4	Confident	90.2	Very high	63 Å²	63	47.5 Å²	47.5	41%	0.409	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.8	139.2	176.1	-30.1	37.5	0	0	0	112.6	S339 M417	S339-P415 WeakPolarHBondContact O-CG 3.4Å; P415-M417 PolarHBondContact O-N 2.84Å
416	A	86.7	Confident	90.6	Very high	59 Å²	59	46.7 Å²	46.7	49%	0.488	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	57	-4.6	-174.2	0	0	0	0	0	117.8	N336 R414	N336-A416 VanDerWaalsContact O-CA 3.29Å; N336-A416 WeakPolarHBondContact O-CA 3.46Å; N336-A416 PolarHBondContact O-N 2.82Å; R414-A416 PolarHBondContact O-N 3.49Å
417	M	92.1	Very high	90.9	Very high	51 Å²	51	39.2 Å²	39.2	25%	0.251	20%	0.196	S	C	.	.			trans	-62.5	147.8	-177.7	-171	177.1	172.2	0	0	112.1	R335 N336 L392 L413 R414 P415	R335-M417 WeakPolarHBondContact CA-O 3.44Å; N336-M417 PolarHBondContact N-O 2.79Å; L392-M417 HydrophobicContact CD1-CE 3.9Å; L392-M417 HydrophobicContact CD2-CE 4.06Å; L413-M417 HydrophobicContact CB-CB 4.36Å; L413-M417 HydrophobicContact CD2-CE 3.95Å; L413-M417 HydrophobicContact CD2-CG 4.1Å; L413-M417 HydrophobicContact CD2-SD 3.82Å; R414-M417 HydrophobicContact CB-CB 4.31Å; R414-M417 HydrophobicContact CB-SD 4.25Å; R414-M417 HydrophobicContact CG-SD 4.36Å; R414-M417 WeakPolarHBondContact O-CB 3.29Å; R414-M417 PolarHBondContact O-N 3.18Å; P415-M417 PolarHBondContact O-N 2.84Å
418	K	92.8	Very high	91.3	Very high	136 Å²	136	38 Å²	38	59%	0.591	20%	0.201	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-122.9	148.1	178.3	-59.1	171.1	-168.5	164	0	110	L333 I334 R335	L333-K418 HydrophobicContact CD1-CB 4.22Å; I334-K418 CarbonylContact O-C 3.45Å; I334-K418 WeakPolarHBondContact O-CA 3.49Å; R335-K418 HydrophobicContact CB-CG 4.31Å; R335-K418 HydrophobicContact CG-CG 4.13Å
419	L	92.9	Very high	91.4	Very high	6 Å²	6	39.3 Å²	39.3	3%	0.031	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	127.1	178.2	177.4	56.6	0	0	0	109.7	I334 P388 V389 L392 F411 L413 L421	I334-L419 PolarHBondContact N-O 2.9Å; I334-L419 PolarHBondContact O-N 3.49Å; P388-L419 HydrophobicContact CG-CD1 3.51Å; V389-L419 HydrophobicContact CG2-CD1 4.14Å; V389-L419 HydrophobicContact CG2-CD2 4.38Å; L392-L419 HydrophobicContact CD1-CD1 4.44Å; L392-L419 HydrophobicContact CD1-CD2 4.12Å; F411-L419 HydrophobicContact CD1-CD2 4.05Å; F411-L419 HydrophobicContact CD2-CD2 3.78Å; F411-L419 HydrophobicContact CE1-CD2 3.88Å; F411-L419 HydrophobicContact CE2-CD2 3.59Å; F411-L419 HydrophobicContact CG-CD2 4.02Å; F411-L419 HydrophobicContact CZ-CD2 3.66Å; L413-L419 HydrophobicContact CD1-CB 4.32Å; L413-L419 HydrophobicContact CD2-CB 3.9Å; L413-L419 HydrophobicContact CD2-CD2 4.04Å; L419-L421 HydrophobicContact CD1-CD2 4.18Å; L419-L421 HydrophobicContact CD2-CD2 3.83Å; L419-L421 HydrophobicContact CD2-CG 4.42Å; L419-L421 HydrophobicContact CG-CD2 3.71Å; L419-L421 HydrophobicContact CG-CG 4.11Å
420	S	91.9	Very high	91.3	Very high	57 Å²	57	44.4 Å²	44.4	40%	0.399	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	124.1	174.1	-173.8	0	0	0	0	109.1	H331	H331-S420 PolarHBondContact ND1-OG 2.85Å; H331-S420 VanDerWaalsContact ND1-OG 3.09Å
421	L	91.6	Very high	91.2	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.005	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	141.7	-178.3	-61	179.5	0	0	0	110.9	H331 L332 I334 I346 V389 L409 F411 L419	H331-L421 CarbonylContact C-O 3.5Å; H331-L421 WeakPolarHBondContact CA-O 3.26Å; L332-L421 HydrophobicContact CB-CB 4.5Å; L332-L421 PolarHBondContact N-O 2.93Å; L332-L421 PolarHBondContact O-N 3.01Å; I334-L421 HydrophobicContact CD1-CD1 3.61Å; I334-L421 HydrophobicContact CG1-CD1 4.09Å; I346-L421 HydrophobicContact CD1-CD1 3.27Å; V389-L421 HydrophobicContact CG2-CD2 3.4Å; L409-L421 HydrophobicContact CD1-CD1 4.02Å; L409-L421 HydrophobicContact CD1-CD2 4.15Å; L409-L421 HydrophobicContact CD1-CG 4.5Å; F411-L421 HydrophobicContact CE1-CD1 4Å; F411-L421 HydrophobicContact CE1-CD2 4.44Å; F411-L421 HydrophobicContact CZ-CD1 3.92Å; L419-L421 HydrophobicContact CD1-CD2 4.18Å; L419-L421 HydrophobicContact CD2-CD2 3.83Å; L419-L421 HydrophobicContact CD2-CG 4.42Å; L419-L421 HydrophobicContact CG-CD2 3.71Å; L419-L421 HydrophobicContact CG-CG 4.11Å
422	R	91.7	Very high	91	Very high	38 Å²	38	55.5 Å²	55.5	14%	0.143	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	109.3	177.7	-61.3	176.9	-65	138	5.4	109.7	R376 D377	R376-R422 HydrophobicContact CB-CB 4.01Å; R376-R422 WeakPolarHBondContact CB-O 3.07Å; R376-R422 PolarHBondContact N-O 3Å; R376-R422 PolarHBondContact O-NH2 3.26Å; D377-R422 IonicContact OD1-CZ 2.77Å; D377-R422 VanDerWaalsContact OD1-CZ 3.27Å; D377-R422 IonicContact OD1-NE 3.62Å; D377-R422 PolarHBondContact OD1-NE 3.27Å; D377-R422 IonicContact OD1-NH2 2.64Å; D377-R422 PolarHBondContact OD1-NH2 2.72Å; D377-R422 VanDerWaalsContact OD2-CB 3.31Å; D377-R422 WeakPolarHBondContact OD2-CB 3.13Å; D377-R422 WeakPolarHBondContact OD2-CG 3.38Å; D377-R422 PolarHBondContact OD2-N 3.03Å; D377-R422 IonicContact OD2-NE 3.27Å; D377-R422 PolarHBondContact OD2-NE 2.85Å
423	V	92	Very high	90.8	Very high	2 Å²	2	54.5 Å²	54.5	1%	0.012	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	137.4	165.1	-164.4	0	0	0	0	107.3	F319 L329 V330 L332 S374 L375 L437 L451	F319-V423 WeakPolarHBondContact CE1-O 3.46Å; F319-V423 HydrophobicContact CZ-CB 4Å; F319-V423 HydrophobicContact CZ-CG1 3.79Å; L329-V423 CarbonylContact C-O 3.54Å; L329-V423 WeakPolarHBondContact CA-O 3.46Å; V330-V423 PolarHBondContact N-O 2.78Å; V330-V423 PolarHBondContact O-N 3.14Å; L332-V423 HydrophobicContact CB-CG2 4.02Å; L332-V423 HydrophobicContact CD2-CG2 4.21Å; S374-V423 CarbonylContact O-C 3.35Å; S374-V423 WeakPolarHBondContact O-CA 3.38Å; S374-V423 WeakPolarHBondContact O-CG1 3.38Å; L375-V423 HydrophobicContact CD2-CG1 4.4Å; L375-V423 HydrophobicContact CD2-CG2 4.24Å; V423-L437 HydrophobicContact CG1-CD1 4.05Å; V423-L437 HydrophobicContact CG2-CD1 3.89Å; V423-L451 HydrophobicContact CG1-CD1 4.06Å
424	G	92.5	Very high	90.5	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	149	-179.4	0	0	0	0	0	113.1	S328 F373 S374	S328-G424 CarbonylContact O-C 3.59Å; S328-G424 VanDerWaalsContact O-CA 3.22Å; S328-G424 WeakPolarHBondContact O-CA 3.29Å; F373-G424 CarbonylContact C-O 3.55Å; F373-G424 WeakPolarHBondContact CA-O 3.46Å; S374-G424 PolarHBondContact N-O 2.92Å; S374-G424 PolarHBondContact O-N 3.12Å; S374-G424 PolarHBondContact OG-O 3.13Å
425	F	94.2	Very high	90.2	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	130.5	173.9	174.5	-114.6	0	0	0	110.4	F319 F327 S328 M372 F373 P427 R433 R454	F319-F425 HydrophobicContact CB-CB 3.98Å; F319-F425 HydrophobicContact CB-CD1 4.14Å; F319-F425 HydrophobicContact CB-CG 4.24Å; F319-F425 HydrophobicContact CD1-CB 3.36Å; F319-F425 HydrophobicContact CD1-CG 4.46Å; F319-F425 HydrophobicContact CD2-CB 3.94Å; F319-F425 HydrophobicContact CE1-CB 3.75Å; F319-F425 HydrophobicContact CE2-CB 4.28Å; F319-F425 HydrophobicContact CG-CB 3.46Å; F319-F425 VanDerWaalsContact CG-CB 3.46Å; F319-F425 HydrophobicContact CG-CG 4.16Å; F319-F425 HydrophobicContact CZ-CB 4.19Å; F327-F425 VanDerWaalsContact CA-O 3.26Å; F327-F425 WeakPolarHBondContact CA-O 3.43Å; F327-F425 WeakPolarHBondContact CB-O 3.22Å; S328-F425 PolarHBondContact N-O 2.96Å; S328-F425 PolarHBondContact O-N 3.44Å; M372-F425 HydrophobicContact CB-CD2 4.49Å; M372-F425 HydrophobicContact CB-CE2 4.23Å; M372-F425 HydrophobicContact CE-CE2 4.38Å; M372-F425 CarbonylContact O-C 3.5Å; M372-F425 WeakPolarHBondContact O-CA 3.36Å; M372-F425 WeakPolarHBondContact O-CD2 3.49Å; F373-F425 HydrophobicContact CD1-CB 4.26Å; F373-F425 AromaticContact CD1-CD2 3.68Å; F373-F425 HydrophobicContact CD1-CD2 3.68Å; F373-F425 HydrophobicContact CD1-CG 4.37Å; F373-F425 HydrophobicContact CE1-CB 4.33Å; F373-F425 AromaticContact CE1-CD2 3.35Å; F373-F425 HydrophobicContact CE1-CD2 3.35Å; F373-F425 AromaticContact CE1-CE2 3.91Å; F373-F425 HydrophobicContact CE1-CE2 3.91Å; F373-F425 HydrophobicContact CE1-CG 4.08Å; F373-F425 HydrophobicContact CE2-CD2 4.25Å; F373-F425 HydrophobicContact CE2-CE2 4.21Å; F373-F425 HydrophobicContact CG-CD2 4.27Å; F373-F425 AromaticContact CZ-CD2 3.68Å; F373-F425 HydrophobicContact CZ-CD2 3.68Å; F373-F425 AromaticContact CZ-CE2 3.74Å; F373-F425 HydrophobicContact CZ-CE2 3.74Å; F425-P427 HydrophobicContact CD1-CG 4.3Å; F425-P427 HydrophobicContact CE1-CB 3.77Å; F425-P427 HydrophobicContact CE1-CG 3.72Å; F425-P427 HydrophobicContact CZ-CB 3.73Å; F425-P427 HydrophobicContact CZ-CG 4.2Å; F425-R433 HydrophobicContact CE2-CB 4.4Å; F425-R454 VanDerWaalsContact CE1-N 3.34Å
426	L	92.9	Very high	90	Very high	58 Å²	58	44.4 Å²	44.4	30%	0.304	23%	0.233	S	C	.	.			trans	-127.6	93.8	-177.7	-67.6	77.6	0	0	0	108.5	F327 M372 S374 S428	F327-L426 HydrophobicContact CB-CD1 4.28Å; F327-L426 HydrophobicContact CB-CG 3.91Å; M372-L426 PolarHBondContact O-N 2.62Å; S374-L426 WeakPolarHBondContact OG-CD1 3.43Å; L426-S428 PolarHBondContact O-N 3.22Å
427	P	92.2	Very high	90.1	Very high	5 Å²	5	41.7 Å²	41.7	3%	0.032	21%	0.21	C	C	.	.			trans	-74	127.3	178.7	24	-26.7	0	0	0	112.2	T322 V324 G325 M372 F425	T322-P427 HydrophobicContact CG2-CG 3.81Å; T322-P427 VanDerWaalsContact O-CG 3.23Å; T322-P427 WeakPolarHBondContact O-CG 3.47Å; V324-P427 WeakPolarHBondContact CA-O 3.49Å; V324-P427 HydrophobicContact CG2-CB 4.24Å; G325-P427 PolarHBondContact N-O 3.17Å; M372-P427 HydrophobicContact CE-CB 4.47Å; F425-P427 HydrophobicContact CD1-CG 4.3Å; F425-P427 HydrophobicContact CE1-CB 3.77Å; F425-P427 HydrophobicContact CE1-CG 3.72Å; F425-P427 HydrophobicContact CZ-CB 3.73Å; F425-P427 HydrophobicContact CZ-CG 4.2Å
428	S	89.7	Confident	89.9	Confident	87 Å²	87	39.3 Å²	39.3	61%	0.608	20%	0.199	S	C	*	.	S	Bend	trans	-84.6	-24.1	165.1	47.3	0	0	0	0	112.6	V324 M372 L426	V324-S428 WeakPolarHBondContact CG1-O 3.26Å; M372-S428 VanDerWaalsContact CE-OG 3.24Å; M372-S428 WeakPolarHBondContact CE-OG 3.4Å; L426-S428 PolarHBondContact O-N 3.22Å
429	D	90.3	Very high	89.8	Confident	34 Å²	34	32.9 Å²	32.9	18%	0.182	17%	0.171	C	C	.	.	S	Bend	trans	-140.7	174.7	-177.1	67.2	66.3	0	0	0	112.2	V324 Q431 R433 G455	V324-D429 WeakPolarHBondContact CG2-O 3.46Å; D429-Q431 WeakPolarHBondContact OD1-CA 3.23Å; D429-Q431 WeakPolarHBondContact OD1-CB 3.42Å; D429-Q431 PolarHBondContact OD1-N 3.46Å; D429-R433 IonicContact OD1-NE 3.28Å; D429-R433 PolarHBondContact OD1-NE 3.12Å; D429-R433 IonicContact OD2-CZ 3.14Å; D429-R433 VanDerWaalsContact OD2-CZ 3.25Å; D429-R433 IonicContact OD2-NE 3.07Å; D429-R433 PolarHBondContact OD2-NE 3.5Å; D429-R433 IonicContact OD2-NH2 2.68Å; D429-R433 PolarHBondContact OD2-NH2 2.89Å; D429-G455 VanDerWaalsContact O-CA 3.31Å; D429-G455 WeakPolarHBondContact O-CA 3.45Å
430	Y	90.4	Very high	89.5	Confident	108 Å²	108	40 Å²	40	42%	0.424	20%	0.197	S	C	.	.	S	Bend	trans	-91.4	4.8	-175	-49.2	-65.6	0	0	0	114.9	V324 R454 A456 K457	V324-Y430 HydrophobicContact CB-CD1 4.49Å; V324-Y430 HydrophobicContact CB-CE1 3.91Å; V324-Y430 HydrophobicContact CG2-CD1 3.49Å; V324-Y430 VanDerWaalsContact CG2-CD1 3.49Å; V324-Y430 HydrophobicContact CG2-CE1 3.37Å; V324-Y430 HydrophobicContact CG2-CG 4.36Å; Y430-R454 PolarHBondContact O-NE 3.13Å; Y430-R454 PolarHBondContact O-NH2 3.4Å; Y430-A456 WeakPolarHBondContact CE1-O 3.24Å; Y430-K457 HydrophobicContact CD1-CB 4.1Å; Y430-K457 HydrophobicContact CE1-CB 4.1Å; Y430-K457 HydrophobicContact CE1-CG 4.21Å
431	Q	88.1	Confident	89.2	Confident	128 Å²	128	37.8 Å²	37.8	60%	0.598	18%	0.181	S	C	*	.	S	Bend	trans	-80.8	162.8	-176.1	-58.8	-62.9	-7.8	0	0	112	D429 R433 R454	D429-Q431 WeakPolarHBondContact OD1-CA 3.23Å; D429-Q431 WeakPolarHBondContact OD1-CB 3.42Å; D429-Q431 PolarHBondContact OD1-N 3.46Å; Q431-R433 PolarHBondContact O-N 3.06Å; Q431-R454 WeakPolarHBondContact O-CA 3.38Å; Q431-R454 WeakPolarHBondContact O-CG 3.48Å
432	L	86.7	Confident	88.6	Confident	110 Å²	110	42.6 Å²	42.6	58%	0.576	21%	0.207	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-73.3	119.4	164.6	178.3	63.1	0	0	0	108.5	R454	L432-R454 HydrophobicContact CD1-CB 4.31Å
433	R	86.2	Confident	87.7	Confident	35 Å²	35	41.5 Å²	41.5	13%	0.132	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	149.9	-178	-59.7	-56	-151.1	140.4	9.8	110.6	D369 M372 F373 F425 D429 Q431 Y452 G453	D369-R433 IonicContact OD2-CZ 2.79Å; D369-R433 IonicContact OD2-NH1 3.5Å; D369-R433 PolarHBondContact OD2-NH1 2.83Å; D369-R433 IonicContact OD2-NH2 3.11Å; D369-R433 PolarHBondContact OD2-NH2 2.91Å; M372-R433 HydrophobicContact CE-CB 4.3Å; M372-R433 HydrophobicContact CE-CG 3.69Å; M372-R433 HydrophobicContact SD-CB 4.04Å; M372-R433 HydrophobicContact SD-CG 3.73Å; F373-R433 HydrophobicContact CE2-CB 4.45Å; F425-R433 HydrophobicContact CE2-CB 4.4Å; D429-R433 IonicContact OD1-NE 3.28Å; D429-R433 PolarHBondContact OD1-NE 3.12Å; D429-R433 IonicContact OD2-CZ 3.14Å; D429-R433 VanDerWaalsContact OD2-CZ 3.25Å; D429-R433 IonicContact OD2-NE 3.07Å; D429-R433 PolarHBondContact OD2-NE 3.5Å; D429-R433 IonicContact OD2-NH2 2.68Å; D429-R433 PolarHBondContact OD2-NH2 2.89Å; Q431-R433 PolarHBondContact O-N 3.06Å; R433-Y452 WeakPolarHBondContact O-CA 3.24Å; R433-G453 PolarHBondContact N-O 3.37Å; R433-G453 PolarHBondContact O-N 3.09Å; R433-G453 VanDerWaalsContact O-O 3.13Å
434	S	85	Confident	86.6	Confident	5 Å²	5	42.9 Å²	42.9	4%	0.035	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	146.8	-167.4	51.8	0	0	0	0	110.8	R365 L366 T367 L451	R365-S434 WeakPolarHBondContact O-CB 3.36Å; R365-S434 PolarHBondContact O-OG 3.01Å; L366-S434 WeakPolarHBondContact CA-OG 3.41Å; T367-S434 PolarHBondContact N-OG 2.75Å; S434-L451 VanDerWaalsContact CA-O 3.31Å; S434-L451 WeakPolarHBondContact CA-O 3.4Å
435	S	86	Confident	85.9	Confident	12 Å²	12	44.8 Å²	44.8	8%	0.084	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	178.7	176.9	-159.9	0	0	0	0	110.6	F373 L451	F373-S435 VanDerWaalsContact CD2-CB 3.41Å; S435-L451 PolarHBondContact N-O 3.39Å; S435-L451 PolarHBondContact O-N 3.09Å
436	L	85.1	Confident	85.1	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	142.9	173.5	-55.5	175.9	0	0	0	110.4	L349 L358 F362 L366 L438 P450	L349-L436 HydrophobicContact CB-CB 4.19Å; L349-L436 WeakPolarHBondContact CB-O 3.13Å; L349-L436 HydrophobicContact CD2-CB 4.37Å; L349-L436 HydrophobicContact CD2-CD1 4.46Å; L349-L436 HydrophobicContact CD2-CG 4.26Å; L349-L436 PolarHBondContact N-O 3.02Å; L358-L436 HydrophobicContact CD2-CD1 3.5Å; L358-L436 VanDerWaalsContact CD2-CD1 3.5Å; F362-L436 HydrophobicContact CD1-CD2 4.22Å; F362-L436 HydrophobicContact CD2-CD1 3.85Å; F362-L436 HydrophobicContact CE1-CD2 4.07Å; F362-L436 HydrophobicContact CE2-CD1 3.94Å; F362-L436 HydrophobicContact CG-CD1 4.25Å; F362-L436 HydrophobicContact CZ-CD1 4.38Å; F362-L436 HydrophobicContact CZ-CD2 4.28Å; L366-L436 HydrophobicContact CD1-CD1 3.72Å; L366-L436 HydrophobicContact CD1-CD2 4.23Å; L366-L436 HydrophobicContact CD1-CG 3.77Å; L366-L436 HydrophobicContact CD2-CD2 4.13Å; L366-L436 HydrophobicContact CD2-CG 4.16Å; L436-L438 HydrophobicContact CB-CD1 4.47Å; L436-P450 HydrophobicContact CD2-CB 4.03Å; L436-P450 HydrophobicContact CD2-CG 3.92Å
437	L	88.8	Confident	84.4	Confident	2 Å²	2	46 Å²	46	1%	0.01	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	131.3	154.1	-61.7	-178.4	0	0	0	109.1	L332 I346 P348 L375 V423 L449 L451	L332-L437 HydrophobicContact CD2-CD1 4.28Å; I346-L437 HydrophobicContact CG2-CB 4.34Å; I346-L437 HydrophobicContact CG2-CD1 4.43Å; P348-L437 HydrophobicContact CB-CD2 4.2Å; P348-L437 HydrophobicContact CG-CD2 4.22Å; L375-L437 HydrophobicContact CD2-CD1 4.05Å; L375-L437 HydrophobicContact CD2-CD2 4.06Å; V423-L437 HydrophobicContact CG1-CD1 4.05Å; V423-L437 HydrophobicContact CG2-CD1 3.89Å; L437-L449 HydrophobicContact CB-CB 4.38Å; L437-L449 HydrophobicContact CD1-CD2 4.5Å; L437-L449 PolarHBondContact N-O 3.24Å; L437-L449 PolarHBondContact O-N 2.85Å; L437-L451 HydrophobicContact CD1-CD1 4.25Å; L437-L451 HydrophobicContact CD1-CD2 4.12Å; L437-L451 HydrophobicContact CD2-CD1 4.01Å; L437-L451 HydrophobicContact CG-CD1 3.79Å; L437-L451 HydrophobicContact CG-CD2 4.09Å; L437-L451 HydrophobicContact CG-CG 4.07Å
438	L	86.6	Confident	83.9	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.005	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	118.3	175.4	-64.3	96.9	0	0	0	108.4	I346 I347 L349 Y352 L358 L436 L446	I346-L438 WeakPolarHBondContact CA-O 3.34Å; I347-L438 HydrophobicContact CB-CB 4.43Å; I347-L438 PolarHBondContact N-O 2.73Å; I347-L438 WeakPolarHBondContact O-CD1 3.5Å; I347-L438 PolarHBondContact O-N 2.81Å; L349-L438 HydrophobicContact CB-CD1 4.05Å; L349-L438 HydrophobicContact CD1-CD1 4.28Å; Y352-L438 HydrophobicContact CD1-CD2 4.29Å; Y352-L438 HydrophobicContact CD2-CD1 4.32Å; Y352-L438 HydrophobicContact CD2-CD2 3.74Å; Y352-L438 HydrophobicContact CD2-CG 4.46Å; Y352-L438 HydrophobicContact CE1-CD2 4.29Å; Y352-L438 HydrophobicContact CE2-CD2 3.75Å; Y352-L438 HydrophobicContact CG-CD1 4.35Å; Y352-L438 HydrophobicContact CG-CD2 4.02Å; L358-L438 HydrophobicContact CD1-CD2 3.49Å; L358-L438 VanDerWaalsContact CD1-CD2 3.49Å; L358-L438 HydrophobicContact CD2-CD2 3.98Å; L358-L438 HydrophobicContact CG-CD2 4.4Å; L436-L438 HydrophobicContact CB-CD1 4.47Å; L438-L446 HydrophobicContact CB-CD1 4.01Å; L438-L446 HydrophobicContact CD2-CD1 4.4Å
439	I	90.3	Very high	83.7	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	81.7	-175.6	-53.6	178.4	0	0	0	107.7	L311 V312 I344 Q345 I346 N441 E447 L449	L311-I439 HydrophobicContact CD2-CG2 4.1Å; V312-I439 HydrophobicContact CG2-CD1 3.57Å; I344-I439 HydrophobicContact CG2-CG2 3.94Å; Q345-I439 CarbonylContact O-C 3.6Å; I346-I439 HydrophobicContact CG1-CG1 4.45Å; I346-I439 HydrophobicContact CG1-CG2 4.48Å; I346-I439 HydrophobicContact CG2-CG1 4.35Å; I439-N441 PolarHBondContact O-ND2 3.06Å; I439-N441 VanDerWaalsContact O-ND2 3.16Å; I439-E447 HydrophobicContact CB-CB 4.17Å; I439-E447 PolarHBondContact N-O 3.4Å; I439-E447 PolarHBondContact O-N 2.75Å; I439-L449 HydrophobicContact CD1-CB 4.5Å
440	R	86.7	Confident	83.5	Confident	156 Å²	156	43.2 Å²	43.2	59%	0.589	22%	0.216	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-71.7	132.8	175.4	-174.1	-174.9	-177.8	-164.6	2.4	109.2	Q345 G445 L446	Q345-R440 HydrophobicContact CB-CB 4.41Å; Q345-R440 PolarHBondContact N-O 2.86Å; Q345-R440 PolarHBondContact O-N 2.86Å; R440-G445 WeakPolarHBondContact CA-O 2.8Å; R440-L446 HydrophobicContact CB-CD1 4.42Å
441	N	85.6	Confident	83.4	Confident	10 Å²	10	38 Å²	38	5%	0.053	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	162.2	-178.6	72.1	90.5	0	0	0	112.2	L311 V342 A343 I344 I439 L443 T444 G445	L311-N441 HydrophobicContact CD2-CB 3.56Å; L311-N441 VanDerWaalsContact CD2-CG 3.44Å; V342-N441 HydrophobicContact CG1-CB 4.11Å; A343-N441 WeakPolarHBondContact O-CA 3.46Å; A343-N441 VanDerWaalsContact O-CB 3.29Å; A343-N441 WeakPolarHBondContact O-CB 3.48Å; I344-N441 HydrophobicContact CG1-CB 4.23Å; I439-N441 PolarHBondContact O-ND2 3.06Å; I439-N441 VanDerWaalsContact O-ND2 3.16Å; N441-L443 VanDerWaalsContact C-N 3.34Å; N441-L443 PolarHBondContact O-N 2.98Å; N441-L443 WeakPolarHBondContact OD1-CA 3.17Å; N441-L443 WeakPolarHBondContact OD1-CB 3.46Å; N441-L443 PolarHBondContact OD1-N 2.84Å; N441-T444 PolarHBondContact ND2-OG1 3.42Å; N441-T444 PolarHBondContact OD1-N 2.65Å; N441-T444 PolarHBondContact OD1-OG1 3.13Å; N441-G445 PolarHBondContact N-O 3.32Å; N441-G445 CarbonylContact O-C 3.34Å; N441-G445 WeakPolarHBondContact O-CA 3.5Å; N441-G445 PolarHBondContact O-N 3.2Å
442	N	80.4	Confident	83.5	Confident	102 Å²	102	35.2 Å²	35.2	55%	0.545	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	5.4	-178.6	67.5	-43.9	0	0	0	115.2	P341 V342 A343	P341-N442 PolarHBondContact O-ND2 2.83Å; V342-N442 VanDerWaalsContact CA-OD1 3.25Å; V342-N442 WeakPolarHBondContact CA-OD1 3.45Å; V342-N442 WeakPolarHBondContact CG1-OD1 3.27Å; A343-N442 PolarHBondContact N-OD1 3.39Å; A343-N442 PolarHBondContact O-N 3.14Å; A343-N442 PolarHBondContact O-OD1 3.07Å
443	L	71.1	Confident	83.7	Confident	16 Å²	16	30 Å²	30	8%	0.084	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-44.8	179.2	-169.3	73.4	0	0	0	112.7	Y273 P309 L311 P337 V342 N441	Y273-L443 HydrophobicContact CD1-CD1 3.68Å; Y273-L443 HydrophobicContact CE1-CD1 3.47Å; Y273-L443 VanDerWaalsContact CE1-CD1 3.47Å; Y273-L443 HydrophobicContact CE1-CG 4.48Å; P309-L443 HydrophobicContact CG-CD2 3.97Å; P309-L443 HydrophobicContact CG-CG 4.39Å; L311-L443 HydrophobicContact CD1-CB 4.33Å; L311-L443 HydrophobicContact CD1-CD2 3.96Å; P337-L443 HydrophobicContact CG-CD2 3.64Å; V342-L443 HydrophobicContact CG1-CB 4.19Å; V342-L443 HydrophobicContact CG2-CB 4.09Å; V342-L443 HydrophobicContact CG2-CD1 4.46Å; V342-L443 HydrophobicContact CG2-CD2 4.32Å; N441-L443 VanDerWaalsContact C-N 3.34Å; N441-L443 PolarHBondContact O-N 2.98Å; N441-L443 WeakPolarHBondContact OD1-CA 3.17Å; N441-L443 WeakPolarHBondContact OD1-CB 3.46Å; N441-L443 PolarHBondContact OD1-N 2.84Å
444	T	70.8	Confident	83.9	Confident	30 Å²	30	32.4 Å²	32.4	18%	0.184	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.5	3.1	-179.2	56.4	0	0	0	0	112.9	W308 P309 N441 L446 E447	W308-T444 HydrophobicContact CB-CG2 4.11Å; W308-T444 HydrophobicContact CE3-CG2 4.39Å; P309-T444 WeakPolarHBondContact O-CG2 3.27Å; N441-T444 PolarHBondContact ND2-OG1 3.42Å; N441-T444 PolarHBondContact OD1-N 2.65Å; N441-T444 PolarHBondContact OD1-OG1 3.13Å; T444-L446 PolarHBondContact O-N 2.9Å; T444-E447 PolarHBondContact OG1-OE1 3.33Å
445	G	76.1	Confident	84.2	Confident	41 Å²	41	32.2 Å²	32.2	42%	0.423	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	76.8	-68	180	0	0	0	0	0	112.6	R440 N441	R440-G445 WeakPolarHBondContact CA-O 2.8Å; N441-G445 PolarHBondContact N-O 3.32Å; N441-G445 CarbonylContact O-C 3.34Å; N441-G445 WeakPolarHBondContact O-CA 3.5Å; N441-G445 PolarHBondContact O-N 3.2Å
446	L	77.4	Confident	84.5	Confident	66 Å²	66	31.6 Å²	31.6	35%	0.346	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	112	-178.8	178.6	59.9	0	0	0	111	L438 R440 T444 M448	L438-L446 HydrophobicContact CB-CD1 4.01Å; L438-L446 HydrophobicContact CD2-CD1 4.4Å; R440-L446 HydrophobicContact CB-CD1 4.42Å; T444-L446 PolarHBondContact O-N 2.9Å; L446-M448 HydrophobicContact CD2-CE 3.72Å; L446-M448 HydrophobicContact CG-CE 4.21Å; L446-M448 HydrophobicContact CG-CG 4.43Å
447	E	79.4	Confident	84.5	Confident	16 Å²	16	35.8 Å²	35.8	8%	0.075	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	143.6	165.3	-83	177	-117	0	0	110.7	R310 L311 I439 T444	R310-E447 WeakPolarHBondContact CA-OE1 3.34Å; R310-E447 WeakPolarHBondContact CA-OE2 3.42Å; R310-E447 WeakPolarHBondContact CB-OE2 3.43Å; R310-E447 IonicContact NE-OE2 3.62Å; R310-E447 PolarHBondContact NE-OE2 2.98Å; L311-E447 PolarHBondContact N-OE1 2.85Å; L311-E447 PolarHBondContact N-OE2 3.09Å; I439-E447 HydrophobicContact CB-CB 4.17Å; I439-E447 PolarHBondContact N-O 3.4Å; I439-E447 PolarHBondContact O-N 2.75Å; T444-E447 PolarHBondContact OG1-OE1 3.33Å
448	M	80.3	Confident	84.2	Confident	46 Å²	46	39.9 Å²	39.9	23%	0.227	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	134.5	175	-56.1	-178.8	-156.7	0	0	109.3	R310 L358 L361 F362 L446	R310-M448 PolarHBondContact NH2-O 3.44Å; L358-M448 HydrophobicContact CD1-CE 3.82Å; L358-M448 HydrophobicContact CD1-SD 4.24Å; L358-M448 HydrophobicContact CD2-SD 4.1Å; L358-M448 HydrophobicContact CG-CE 4.25Å; L358-M448 HydrophobicContact CG-SD 4.22Å; L361-M448 HydrophobicContact CD1-CE 4.43Å; F362-M448 HydrophobicContact CE2-SD 3.61Å; F362-M448 HydrophobicContact CZ-CB 4.39Å; F362-M448 HydrophobicContact CZ-SD 4.21Å; L446-M448 HydrophobicContact CD2-CE 3.72Å; L446-M448 HydrophobicContact CG-CE 4.21Å; L446-M448 HydrophobicContact CG-CG 4.43Å
449	L	86.6	Confident	83.9	Confident	1 Å²	1	40.9 Å²	40.9	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	106.8	-177.9	177.9	65.7	0	0	0	110	V312 Q314 V317 L332 L437 I439 L451	V312-L449 HydrophobicContact CG1-CD1 4.33Å; V312-L449 HydrophobicContact CG1-CD2 4.21Å; Q314-L449 HydrophobicContact CB-CD1 4.36Å; Q314-L449 VanDerWaalsContact O-CD1 3.31Å; Q314-L449 WeakPolarHBondContact O-CD1 3.47Å; V317-L449 HydrophobicContact CG2-CD1 4.31Å; V317-L449 HydrophobicContact CG2-CD2 4.01Å; V317-L449 HydrophobicContact CG2-CG 4.34Å; L332-L449 HydrophobicContact CD1-CD2 3.57Å; L332-L449 HydrophobicContact CD2-CD2 3.76Å; L332-L449 HydrophobicContact CG-CD2 4.34Å; L437-L449 HydrophobicContact CB-CB 4.38Å; L437-L449 HydrophobicContact CD1-CD2 4.5Å; L437-L449 PolarHBondContact N-O 3.24Å; L437-L449 PolarHBondContact O-N 2.85Å; I439-L449 HydrophobicContact CD1-CB 4.5Å; L449-L451 HydrophobicContact CG-CD2 4.5Å
450	P	86	Confident	83.3	Confident	21 Å²	21	41.7 Å²	41.7	14%	0.136	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	134.5	174.9	-22.1	34.1	0	0	0	112.6	V316 V317 F362 L436 Y452	V316-P450 HydrophobicContact CG2-CB 4.31Å; V317-P450 PolarHBondContact N-O 2.93Å; F362-P450 HydrophobicContact CE1-CG 4.26Å; L436-P450 HydrophobicContact CD2-CB 4.03Å; L436-P450 HydrophobicContact CD2-CG 3.92Å; P450-Y452 HydrophobicContact CB-CE2 3.91Å
451	L	88.3	Confident	82.8	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	140.2	171.6	-53.2	-172.8	0	0	0	109.4	V317 F319 F373 V423 S434 S435 L437 L449	V317-L451 HydrophobicContact CB-CD2 3.74Å; V317-L451 HydrophobicContact CG1-CD2 4.24Å; V317-L451 HydrophobicContact CG2-CD2 4.24Å; V317-L451 CarbonylContact O-C 3.54Å; V317-L451 WeakPolarHBondContact O-CA 3.31Å; F319-L451 HydrophobicContact CE2-CB 4.41Å; F319-L451 HydrophobicContact CE2-CD1 4.37Å; F319-L451 HydrophobicContact CE2-CD2 4.4Å; F373-L451 HydrophobicContact CB-CD1 3.63Å; F373-L451 HydrophobicContact CD1-CB 3.79Å; F373-L451 HydrophobicContact CD1-CD1 3.59Å; F373-L451 HydrophobicContact CD1-CG 4.37Å; F373-L451 HydrophobicContact CE1-CB 3.76Å; F373-L451 HydrophobicContact CE1-CD1 4.41Å; F373-L451 HydrophobicContact CG-CB 4.29Å; F373-L451 HydrophobicContact CG-CD1 3.72Å; F373-L451 HydrophobicContact CZ-CB 4.26Å; V423-L451 HydrophobicContact CG1-CD1 4.06Å; S434-L451 VanDerWaalsContact CA-O 3.31Å; S434-L451 WeakPolarHBondContact CA-O 3.4Å; S435-L451 PolarHBondContact N-O 3.39Å; S435-L451 PolarHBondContact O-N 3.09Å; L437-L451 HydrophobicContact CD1-CD1 4.25Å; L437-L451 HydrophobicContact CD1-CD2 4.12Å; L437-L451 HydrophobicContact CD2-CD1 4.01Å; L437-L451 HydrophobicContact CG-CD1 3.79Å; L437-L451 HydrophobicContact CG-CD2 4.09Å; L437-L451 HydrophobicContact CG-CG 4.07Å; L449-L451 HydrophobicContact CG-CD2 4.5Å
452	Y	89.9	Confident	82.3	Confident	68 Å²	68	38.2 Å²	38.2	27%	0.267	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	136.9	171	-64.4	-84.8	0	0	0	110.4	V316 V317 H318 F319 R433 P450	V316-Y452 HydrophobicContact CG2-CD2 3.53Å; V316-Y452 HydrophobicContact CG2-CE2 3.59Å; V317-Y452 PolarHBondContact O-N 2.72Å; H318-Y452 WeakPolarHBondContact CA-O 3.44Å; H318-Y452 AromaticContact CE1-CD2 3.57Å; H318-Y452 AromaticContact CE1-CG 3.93Å; F319-Y452 PolarHBondContact N-O 2.81Å; R433-Y452 WeakPolarHBondContact O-CA 3.24Å; P450-Y452 HydrophobicContact CB-CE2 3.91Å
453	G	90.5	Very high	81.9	Confident	2 Å²	2	35.3 Å²	35.3	2%	0.021	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	154.1	176.4	0	0	0	0	0	110.8	R433	R433-G453 PolarHBondContact N-O 3.37Å; R433-G453 PolarHBondContact O-N 3.09Å; R433-G453 VanDerWaalsContact O-O 3.13Å
454	R	91.4	Very high	81.9	Confident	85 Å²	85	42.3 Å²	42.3	32%	0.321	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	137.5	178.5	176.7	167.8	179.1	-103.5	-25.2	111.3	L321 T322 F425 Y430 Q431 L432 E513	L321-R454 HydrophobicContact CD1-CB 3.88Å; L321-R454 HydrophobicContact CD1-CG 3.68Å; T322-R454 PolarHBondContact N-O 2.85Å; T322-R454 VanDerWaalsContact N-O 3.12Å; F425-R454 VanDerWaalsContact CE1-N 3.34Å; Y430-R454 PolarHBondContact O-NE 3.13Å; Y430-R454 PolarHBondContact O-NH2 3.4Å; Q431-R454 WeakPolarHBondContact O-CA 3.38Å; Q431-R454 WeakPolarHBondContact O-CG 3.48Å; L432-R454 HydrophobicContact CD1-CB 4.31Å; R454-E513 IonicContact CZ-OE1 3.58Å; R454-E513 IonicContact CZ-OE2 2.69Å; R454-E513 IonicContact NH1-OE1 2.78Å; R454-E513 PolarHBondContact NH1-OE1 3.05Å; R454-E513 VanDerWaalsContact NH2-CD 3.3Å; R454-E513 IonicContact NH2-OE1 3.35Å; R454-E513 PolarHBondContact NH2-OE1 3.42Å; R454-E513 IonicContact NH2-OE2 3.67Å; R454-E513 PolarHBondContact NH2-OE2 2.81Å; R454-E513 VanDerWaalsContact NH2-OE2 3.09Å
455	G	91.7	Very high	81.9	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	137.7	173.5	0	0	0	0	0	112.8	T322 D429	T322-G455 CarbonylContact O-C 3.58Å; T322-G455 VanDerWaalsContact O-CA 3.24Å; T322-G455 WeakPolarHBondContact O-CA 3.39Å; D429-G455 VanDerWaalsContact O-CA 3.31Å; D429-G455 WeakPolarHBondContact O-CA 3.45Å
456	A	90.8	Very high	81.6	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	132.7	173.9	0	0	0	0	0	110.4	L321 T322 Y430 E513 M514	L321-A456 HydrophobicContact CD2-CB 3.79Å; L321-A456 HydrophobicContact CG-CB 3.71Å; T322-A456 PolarHBondContact O-N 3Å; Y430-A456 WeakPolarHBondContact CE1-O 3.24Å; A456-E513 HydrophobicContact CB-CB 4.45Å; A456-M514 HydrophobicContact CB-CB 4.33Å
457	K	86.5	Confident	80.9	Confident	87 Å²	87	45 Å²	45	38%	0.378	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-73.3	131.8	166.3	-161.4	-173.8	-170	-168.3	0	110.5	Y430 E459 G512 E513	Y430-K457 HydrophobicContact CD1-CB 4.1Å; Y430-K457 HydrophobicContact CE1-CB 4.1Å; Y430-K457 HydrophobicContact CE1-CG 4.21Å; K457-E459 WeakPolarHBondContact CE-OE2 3.18Å; K457-E459 IonicContact NZ-OE2 2.64Å; K457-E459 PolarHBondContact NZ-OE2 2.88Å; K457-G512 CarbonylContact O-C 3.5Å; K457-G512 WeakPolarHBondContact O-CA 3.1Å; K457-E513 PolarHBondContact N-OE2 3.02Å; K457-E513 PolarHBondContact O-N 3.4Å
458	L	81.8	Confident	80.1	Confident	88 Å²	88	53.8 Å²	53.8	46%	0.461	28%	0.277	S	S	.	.			trans	-105	121.2	168.9	-59	-171	0	0	0	109.2	A323 M514 L516	A323-L458 HydrophobicContact CB-CD1 3.79Å; A323-L458 HydrophobicContact CB-CD2 3.98Å; A323-L458 HydrophobicContact CB-CG 3.9Å; L458-M514 HydrophobicContact CD2-CB 3.65Å; L458-M514 HydrophobicContact CD2-CG 4.35Å; L458-L516 HydrophobicContact CB-CD2 4.36Å; L458-L516 HydrophobicContact CD1-CD2 4.36Å; L458-L516 HydrophobicContact CD2-CD2 4.03Å; L458-L516 HydrophobicContact CG-CD2 4.49Å
459	E	80.2	Confident	79.3	Confident	23 Å²	23	53.8 Å²	53.8	11%	0.107	28%	0.281	C	S	.	.			trans	-152.6	128.3	-177.3	-168.4	-178.5	156	0	0	110.9	K457 K461 L466 N510 S511 G512	K457-E459 WeakPolarHBondContact CE-OE2 3.18Å; K457-E459 IonicContact NZ-OE2 2.64Å; K457-E459 PolarHBondContact NZ-OE2 2.88Å; E459-K461 WeakPolarHBondContact OE1-CE 3.42Å; E459-K461 IonicContact OE1-NZ 2.81Å; E459-L466 WeakPolarHBondContact OE1-CD2 3.16Å; E459-L466 WeakPolarHBondContact OE1-CG 3.08Å; E459-N510 PolarHBondContact O-OD1 3.32Å; E459-S511 WeakPolarHBondContact CG-OG 3.34Å; E459-S511 PolarHBondContact O-N 3.44Å; E459-S511 PolarHBondContact O-OG 3.02Å; E459-G512 PolarHBondContact O-N 3.08Å
460	L	78	Confident	78.2	Confident	18 Å²	18	61.7 Å²	61.7	9%	0.094	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	109.5	179.8	-167.9	81.4	0	0	0	109.3	P467 N510 L516 V518 V543 F549 L582	L460-P467 WeakPolarHBondContact O-CD 3.5Å; L460-P467 WeakPolarHBondContact O-CG 3.08Å; L460-N510 HydrophobicContact CD1-CB 4.22Å; L460-L516 HydrophobicContact CB-CD1 3.94Å; L460-L516 HydrophobicContact CD1-CD1 3.82Å; L460-L516 HydrophobicContact CG-CD1 4.47Å; L460-V518 HydrophobicContact CD2-CG2 4.4Å; L460-V543 HydrophobicContact CD1-CG1 4.41Å; L460-F549 HydrophobicContact CD1-CE1 3.99Å; L460-F549 HydrophobicContact CD2-CE1 4.22Å; L460-F549 HydrophobicContact CD2-CZ 4.18Å; L460-F549 HydrophobicContact CG-CE1 4.36Å; L460-L582 HydrophobicContact CD2-CD2 4.06Å
461	K	76.9	Confident	77.1	Confident	55 Å²	55	67.2 Å²	67.2	24%	0.239	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	151.9	177.3	-67.6	177.2	-171.4	-179	0	110.7	E459 V465 L466 G508 Q509 S511	E459-K461 WeakPolarHBondContact OE1-CE 3.42Å; E459-K461 IonicContact OE1-NZ 2.81Å; K461-V465 VanDerWaalsContact CA-O 3.32Å; K461-V465 WeakPolarHBondContact CA-O 3.48Å; K461-L466 HydrophobicContact CD-CD1 4.36Å; K461-L466 HydrophobicContact CG-CD1 4.45Å; K461-L466 HydrophobicContact CG-CG 4.37Å; K461-G508 CarbonylContact O-C 3.54Å; K461-G508 WeakPolarHBondContact O-CA 3.2Å; K461-Q509 PolarHBondContact N-O 3.02Å; K461-Q509 PolarHBondContact O-N 2.83Å; K461-S511 WeakPolarHBondContact CE-OG 3.45Å
462	I	74.4	Confident	76	Confident	38 Å²	38	71.1 Å²	71.1	20%	0.195	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	114	169.8	-62.4	176.4	0	0	0	107	N464 V465 I473 F506 L582	I462-N464 PolarHBondContact O-N 3.25Å; I462-V465 PolarHBondContact N-O 3.04Å; I462-V465 VanDerWaalsContact O-CB 3.32Å; I462-V465 WeakPolarHBondContact O-CB 3.32Å; I462-V465 PolarHBondContact O-N 3.35Å; I462-I473 HydrophobicContact CG2-CD1 3.68Å; I462-F506 HydrophobicContact CD1-CE2 4.3Å; I462-F506 HydrophobicContact CG2-CB 4.16Å; I462-F506 HydrophobicContact CG2-CD2 3.61Å; I462-F506 HydrophobicContact CG2-CE2 4.21Å; I462-F506 HydrophobicContact CG2-CG 4.12Å; I462-L582 HydrophobicContact CD1-CD2 4.43Å
463	G	72.1	Confident	74.8	Confident	40 Å²	40	70.3 Å²	70.3	41%	0.412	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.9	-132.8	-158	0	0	0	0	0	110.4	V465 S507	G463-V465 VanDerWaalsContact C-N 3.27Å; G463-V465 PolarHBondContact O-N 2.95Å; G463-S507 PolarHBondContact N-O 2.73Å
464	N	70	Confident	73.6	Confident	164 Å²	164	77.4 Å²	77.4	88%	0.877	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	4.7	176.2	-64.2	-9.8	0	0	0	113.4	I462	I462-N464 PolarHBondContact O-N 3.25Å
465	V	71.1	Confident	72.4	Confident	46 Å²	46	76 Å²	76	28%	0.279	40%	0.4	S	S	.	.	B	Isolated β-bridge	trans	-102.3	131.6	-164.7	-174.8	0	0	0	0	111.1	K461 I462 G463 S469 H471	K461-V465 VanDerWaalsContact CA-O 3.32Å; K461-V465 WeakPolarHBondContact CA-O 3.48Å; I462-V465 PolarHBondContact N-O 3.04Å; I462-V465 VanDerWaalsContact O-CB 3.32Å; I462-V465 WeakPolarHBondContact O-CB 3.32Å; I462-V465 PolarHBondContact O-N 3.35Å; G463-V465 VanDerWaalsContact C-N 3.27Å; G463-V465 PolarHBondContact O-N 2.95Å; V465-S469 WeakPolarHBondContact CG1-OG 3.4Å; V465-H471 HydrophobicContact CG1-CB 3.92Å; V465-H471 HydrophobicContact CG2-CB 4.47Å
466	L	70	Confident	71	Confident	80 Å²	80	82 Å²	82	42%	0.419	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-78.7	150.6	172.4	-80.7	82.1	0	0	0	111.3	E459 K461 S469	E459-L466 WeakPolarHBondContact OE1-CD2 3.16Å; E459-L466 WeakPolarHBondContact OE1-CG 3.08Å; K461-L466 HydrophobicContact CD-CD1 4.36Å; K461-L466 HydrophobicContact CG-CD1 4.45Å; K461-L466 HydrophobicContact CG-CG 4.37Å; L466-S469 PolarHBondContact O-N 3.11Å; L466-S469 PolarHBondContact O-OG 3.47Å
467	P	63.2	Low	69.8	Low	66 Å²	66	85.9 Å²	85.9	43%	0.429	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	151.8	169.8	-21.6	34.1	0	0	0	111.5	L460 S469	L460-P467 WeakPolarHBondContact O-CD 3.5Å; L460-P467 WeakPolarHBondContact O-CG 3.08Å; P467-S469 PolarHBondContact O-N 3.45Å
468	Q	63.4	Low	68.7	Low	202 Å²	202	85.2 Å²	85.2	94%	0.944	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.1	1.6	-179.3	-55.9	-178.9	-17.9	0	0	116.4
469	S	63.2	Low	67.9	Low	46 Å²	46	88 Å²	88	32%	0.322	46%	0.457	S	S	.	.			trans	-72.4	148	167.1	67.5	0	0	0	0	111.2	V465 L466 P467 H471	V465-S469 WeakPolarHBondContact CG1-OG 3.4Å; L466-S469 PolarHBondContact O-N 3.11Å; L466-S469 PolarHBondContact O-OG 3.47Å; P467-S469 PolarHBondContact O-N 3.45Å; S469-H471 PolarHBondContact O-N 2.79Å
470	N	62.9	Low	67.1	Low	166 Å²	166	93.3 Å²	93.3	89%	0.888	48%	0.48	S	S	*	.	S	Bend	trans	-73	11.2	-178	-72.6	-20.3	0	0	0	114.2	L472	N470-L472 PolarHBondContact O-N 3.28Å
471	H	63.7	Low	66.3	Low	137 Å²	137	94.8 Å²	94.8	63%	0.634	49%	0.486	S	S	*	.			trans	-81.4	108.2	179.9	-63.9	-66.3	0	0	0	110.9	V465 S469	V465-H471 HydrophobicContact CG1-CB 3.92Å; V465-H471 HydrophobicContact CG2-CB 4.47Å; S469-H471 PolarHBondContact O-N 2.79Å
472	L	64.9	Low	65.5	Low	83 Å²	83	95.3 Å²	95.3	44%	0.435	49%	0.491	S	S	.	.			trans	-67.2	131.1	171.7	-66.2	171.9	0	0	0	110.5	N470 L474 I577 T579	N470-L472 PolarHBondContact O-N 3.28Å; L472-L474 PolarHBondContact O-N 2.81Å; L472-L474 VanDerWaalsContact O-N 3.08Å; L472-I577 HydrophobicContact CD1-CG2 3.9Å; L472-T579 HydrophobicContact CD2-CG2 4.01Å
473	I	63.7	Low	64.3	Low	51 Å²	51	98.6 Å²	98.6	26%	0.262	51%	0.509	S	S	.	.			trans	-72.6	100.1	166	-56.8	174.7	0	0	0	107.2	I462 F475	I462-I473 HydrophobicContact CG2-CD1 3.68Å; I473-F475 HydrophobicContact CG2-CE1 3.98Å; I473-F475 HydrophobicContact CG2-CE2 4.02Å; I473-F475 HydrophobicContact CG2-CZ 3.57Å
474	L	66.1	Low	63.3	Low	151 Å²	151	101.6 Å²	101.6	79%	0.791	52%	0.515	S	S	*	.			trans	-84	137.8	178.8	-158	82.3	0	0	0	110.4	L472	L472-L474 PolarHBondContact O-N 2.81Å; L472-L474 VanDerWaalsContact O-N 3.08Å
475	F	65.3	Low	62.1	Low	55 Å²	55	96.3 Å²	96.3	24%	0.241	49%	0.491	C	S	.	.			trans	-115.4	112.1	173.7	-59	-77.1	0	0	0	109.5	I473 F504 W580	I473-F475 HydrophobicContact CG2-CE1 3.98Å; I473-F475 HydrophobicContact CG2-CE2 4.02Å; I473-F475 HydrophobicContact CG2-CZ 3.57Å; F475-F504 HydrophobicContact CB-CD1 4.33Å; F475-F504 HydrophobicContact CB-CD2 4.39Å; F475-F504 HydrophobicContact CB-CE1 4.03Å; F475-F504 HydrophobicContact CB-CE2 4.08Å; F475-F504 HydrophobicContact CB-CZ 3.89Å; F475-F504 HydrophobicContact CD1-CB 3.75Å; F475-F504 AromaticContact CD1-CD1 3.61Å; F475-F504 HydrophobicContact CD1-CD1 3.61Å; F475-F504 HydrophobicContact CD1-CD2 4Å; F475-F504 HydrophobicContact CD1-CE1 4.16Å; F475-F504 AromaticContact CD1-CG 3.51Å; F475-F504 HydrophobicContact CD1-CG 3.51Å; F475-F504 HydrophobicContact CE1-CB 3.72Å; F475-F504 HydrophobicContact CE1-CD1 4.4Å; F475-F504 HydrophobicContact CE1-CG 4.04Å; F475-F504 HydrophobicContact CG-CD1 4.36Å; F475-F504 HydrophobicContact CG-CD2 4.29Å; F475-F504 HydrophobicContact CG-CE2 4.47Å; F475-F504 HydrophobicContact CG-CG 4.23Å; F475-W580 AromaticContact CE2-CZ2 3.81Å; F475-W580 HydrophobicContact CE2-CZ2 3.81Å; F475-W580 HydrophobicContact CZ-CZ2 4.09Å
476	E	63	Low	60.9	Low	125 Å²	125	99.9 Å²	99.9	58%	0.584	51%	0.508	S	S	*	.			trans	-84.5	114.4	178.9	-163.1	-174.4	130.4	0	0	110.7	Q478	E476-Q478 HydrophobicContact CG-CG 4.12Å; E476-Q478 PolarHBondContact O-N 3.24Å; E476-Q478 WeakPolarHBondContact OE1-CG 3.49Å; E476-Q478 PolarHBondContact OE1-NE2 3.02Å
477	I	65.2	Low	59.8	Low	82 Å²	82	103 Å²	103	42%	0.421	52%	0.524	S	S	.	.			trans	-91.1	87.5	174.8	-54	179.1	0	0	0	108.2	H481 L482 F504 F555	I477-H481 HydrophobicContact CG2-CB 4.34Å; I477-L482 HydrophobicContact CG2-CD2 3.67Å; I477-L482 HydrophobicContact CG2-CG 4.34Å; I477-F504 HydrophobicContact CG1-CZ 4.26Å; I477-F555 HydrophobicContact CD1-CD1 4.49Å; I477-F555 HydrophobicContact CD1-CE1 4.34Å
478	Q	64.7	Low	58.8	Low	74 Å²	74	105.2 Å²	105.2	35%	0.346	53%	0.531	S	S	.	.			trans	-71.3	153.5	171.8	-66.7	-178.4	-10.5	0	0	111.1	E476 K480 H481	E476-Q478 HydrophobicContact CG-CG 4.12Å; E476-Q478 PolarHBondContact O-N 3.24Å; E476-Q478 WeakPolarHBondContact OE1-CG 3.49Å; E476-Q478 PolarHBondContact OE1-NE2 3.02Å; Q478-K480 HydrophobicContact CB-CD 4.37Å; Q478-K480 HydrophobicContact CB-CG 4.17Å; Q478-K480 PolarHBondContact O-N 3.24Å; Q478-K480 VanDerWaalsContact O-N 3.13Å; Q478-H481 PolarHBondContact N-ND1 2.84Å; Q478-H481 VanDerWaalsContact O-CB 3.31Å; Q478-H481 WeakPolarHBondContact O-CB 3.46Å; Q478-H481 PolarHBondContact O-N 2.85Å
479	E	64.4	Low	57.9	Low	146 Å²	146	103.2 Å²	103.2	68%	0.682	52%	0.522	S	S	*	.	G	3₁₀ helix	trans	-55.3	-33.3	-177	-170.8	167.7	-151.6	0	0	113.3	H481 L482 L483	E479-H481 PolarHBondContact O-N 3.33Å; E479-H481 VanDerWaalsContact O-N 3.08Å; E479-L482 WeakPolarHBondContact O-CA 3.1Å; E479-L482 WeakPolarHBondContact O-CB 3.47Å; E479-L482 PolarHBondContact O-N 2.71Å; E479-L483 HydrophobicContact CG-CD1 4.14Å; E479-L483 HydrophobicContact CG-CG 4.33Å; E479-L483 WeakPolarHBondContact O-CG 3.09Å; E479-L483 PolarHBondContact O-N 2.98Å; E479-L483 VanDerWaalsContact O-N 3.15Å
480	K	63.1	Low	57.1	Low	135 Å²	135	107.2 Å²	107.2	59%	0.587	55%	0.545	S	S	*	.	G	3₁₀ helix	trans	-59.3	-15.6	172.1	79.8	-164.8	-170.4	-164	0	115.2	Q478	Q478-K480 HydrophobicContact CB-CD 4.37Å; Q478-K480 HydrophobicContact CB-CG 4.17Å; Q478-K480 PolarHBondContact O-N 3.24Å; Q478-K480 VanDerWaalsContact O-N 3.13Å
481	H	60.8	Low	55.8	Low	48 Å²	48	107.9 Å²	107.9	22%	0.222	54%	0.54	C	S	.	.	G	3₁₀ helix	trans	-91.7	-0.9	173.9	-52.1	153.2	0	0	0	112.7	I477 Q478 E479 Y557	I477-H481 HydrophobicContact CG2-CB 4.34Å; Q478-H481 PolarHBondContact N-ND1 2.84Å; Q478-H481 VanDerWaalsContact O-CB 3.31Å; Q478-H481 WeakPolarHBondContact O-CB 3.46Å; Q478-H481 PolarHBondContact O-N 2.85Å; E479-H481 PolarHBondContact O-N 3.33Å; E479-H481 VanDerWaalsContact O-N 3.08Å; H481-Y557 PolarHBondContact O-OH 3.05Å
482	L	59.4	Low	54.8	Low	66 Å²	66	109.5 Å²	109.5	35%	0.346	55%	0.552	S	S	.	*	T	Hydrogen-bonded Turn	trans	-115.8	-16.5	177.6	-44.8	-179.5	0	0	0	112.1	I477 E479 D484 Y557	I477-L482 HydrophobicContact CG2-CD2 3.67Å; I477-L482 HydrophobicContact CG2-CG 4.34Å; E479-L482 WeakPolarHBondContact O-CA 3.1Å; E479-L482 WeakPolarHBondContact O-CB 3.47Å; E479-L482 PolarHBondContact O-N 2.71Å; L482-D484 VanDerWaalsContact C-N 3.34Å; L482-D484 PolarHBondContact O-N 3.02Å; L482-Y557 HydrophobicContact CD2-CE2 3.89Å; L482-Y557 WeakPolarHBondContact CD2-OH 3.37Å
483	L	50.4	Low	53.2	Low	107 Å²	107	110.4 Å²	110.4	56%	0.56	56%	0.561	S	S	*	*			trans	-79.5	72.3	-174.7	-80.8	167.5	0	0	0	112.8	E479	E479-L483 HydrophobicContact CG-CD1 4.14Å; E479-L483 HydrophobicContact CG-CG 4.33Å; E479-L483 WeakPolarHBondContact O-CG 3.09Å; E479-L483 PolarHBondContact O-N 2.98Å; E479-L483 VanDerWaalsContact O-N 3.15Å
484	D	50.4	Low	52.1	Low	103 Å²	103	117.8 Å²	117.8	55%	0.551	59%	0.587	S	S	*	*			trans	-121.2	22.1	171.5	-131.2	-10.1	0	0	0	111.5	L482 F500	L482-D484 VanDerWaalsContact C-N 3.34Å; L482-D484 PolarHBondContact O-N 3.02Å; D484-F500 HydrophobicContact CB-CD1 4.47Å; D484-F500 HydrophobicContact CB-CE1 3.89Å
485	C	45	Very low	50.6	Low	54 Å²	54	117.8 Å²	117.8	37%	0.365	59%	0.587	S	S	.	*			trans	-91.6	-18.2	-168.9	-73.3	0	0	0	0	115.6
486	D	46.1	Very low	49.3	Very low	121 Å²	121	119 Å²	119	65%	0.647	60%	0.601	S	S	*	*	S	Bend	trans	-93.8	-15	-165.1	-67.8	-27.3	0	0	0	114.8
487	I	46.9	Very low	48.2	Very low	145 Å²	145	118 Å²	118	74%	0.744	60%	0.599	S	S	*	*	S	Bend	trans	-87.7	-14.3	-172.9	-62.9	176.3	0	0	0	112.8
488	L	42.7	Very low	47.3	Very low	112 Å²	112	117.4 Å²	117.4	59%	0.586	59%	0.591	S	S	*	*			trans	-114.3	6.6	-168.7	-85.1	165.7	0	0	0	115.9	T490 W498	L488-T490 PolarHBondContact O-N 3.46Å; L488-W498 HydrophobicContact CB-CH2 4.08Å; L488-W498 HydrophobicContact CD1-CH2 3.8Å; L488-W498 HydrophobicContact CD1-CZ3 3.9Å
489	Q	44.7	Very low	46.6	Very low	161 Å²	161	118.7 Å²	118.7	75%	0.752	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.1	-15.5	-176	-66.4	-163.8	13.3	0	0	115.1
490	T	45	Very low	46.1	Very low	130 Å²	130	112.7 Å²	112.7	80%	0.798	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	-13.6	-166.9	-8.4	0	0	0	0	115.9	L488	L488-T490 PolarHBondContact O-N 3.46Å
491	K	37.4	Very low	45.8	Very low	180 Å²	180	109.2 Å²	109.2	78%	0.783	56%	0.562	S	S	*	*	S	Bend	trans	-146.4	137.7	-177.2	-71.7	-168.4	178.2	179.3	0	115.5
492	L	40.9	Very low	45.9	Very low	170 Å²	170	108.9 Å²	108.9	89%	0.89	56%	0.56	S	S	*	*			trans	73.7	122.2	169.6	-89.2	70.7	0	0	0	118.7
493	T	32.1	Very low	46	Very low	102 Å²	102	108.7 Å²	108.7	63%	0.626	56%	0.564	S	S	*	*			trans	-78.7	165.8	171.6	-33.9	0	0	0	0	111.5
494	Y	39.6	Very low	46.8	Very low	207 Å²	207	105.2 Å²	105.2	81%	0.812	54%	0.544	S	S	*	.	S	Bend	trans	79.8	123	169.5	-41.3	-65.6	0	0	0	116.6
495	L	35.3	Very low	47.5	Very low	151 Å²	151	104.5 Å²	104.5	79%	0.791	55%	0.547	S	S	*	.			trans	37.4	77.5	177.6	-80.4	94	0	0	0	116.7	I497	L495-I497 VanDerWaalsContact C-N 3.35Å; L495-I497 HydrophobicContact CB-CG1 4.49Å; L495-I497 HydrophobicContact CD2-CD1 4.37Å; L495-I497 PolarHBondContact O-N 2.84Å
496	C	38.3	Very low	48.6	Very low	79 Å²	79	103.1 Å²	103.1	53%	0.534	54%	0.536	S	S	.	.			trans	-73.6	84.9	166.9	-129.1	0	0	0	0	111	W498	C496-W498 PolarHBondContact O-N 2.94Å; C496-W498 VanDerWaalsContact SG-CZ2 3.51Å; C496-W498 PolarHBondContact SG-NE1 3.01Å
497	I	40.2	Very low	49.6	Very low	106 Å²	106	98.9 Å²	98.9	54%	0.544	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	94.4	172.7	-57.5	177.5	0	0	0	108.4	L495 L499 V558	L495-I497 VanDerWaalsContact C-N 3.35Å; L495-I497 HydrophobicContact CB-CG1 4.49Å; L495-I497 HydrophobicContact CD2-CD1 4.37Å; L495-I497 PolarHBondContact O-N 2.84Å; I497-L499 PolarHBondContact O-N 3.34Å; I497-V558 HydrophobicContact CG2-CG1 3.76Å
498	W	46.3	Very low	50.9	Low	68 Å²	68	92 Å²	92	26%	0.258	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	107.6	178.1	-61.9	90.4	0	0	0	110.7	L488 C496 F500 V558 L559	L488-W498 HydrophobicContact CB-CH2 4.08Å; L488-W498 HydrophobicContact CD1-CH2 3.8Å; L488-W498 HydrophobicContact CD1-CZ3 3.9Å; C496-W498 PolarHBondContact O-N 2.94Å; C496-W498 VanDerWaalsContact SG-CZ2 3.51Å; C496-W498 PolarHBondContact SG-NE1 3.01Å; W498-F500 HydrophobicContact CB-CD2 3.79Å; W498-F500 HydrophobicContact CB-CE2 3.31Å; W498-F500 HydrophobicContact CB-CZ 4Å; W498-F500 HydrophobicContact CD2-CZ 4.47Å; W498-F500 HydrophobicContact CE3-CZ 4.4Å; W498-F500 HydrophobicContact CG-CE2 4.05Å; W498-F500 HydrophobicContact CG-CZ 4.33Å; W498-V558 WeakPolarHBondContact O-CA 3.41Å; W498-L559 PolarHBondContact O-N 3.01Å; W498-L559 VanDerWaalsContact O-N 3.15Å
499	L	48.6	Very low	52.4	Low	102 Å²	102	89.6 Å²	89.6	53%	0.534	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	96.1	166.9	-178.9	73.3	0	0	0	109	I497 V501 Y556 V558	I497-L499 PolarHBondContact O-N 3.34Å; L499-V501 HydrophobicContact CG-CG2 4.44Å; L499-Y556 HydrophobicContact CD1-CD1 4.14Å; L499-Y556 HydrophobicContact CD2-CD1 4.34Å; L499-Y556 HydrophobicContact CG-CD1 4.39Å; L499-V558 HydrophobicContact CD1-CG2 3.69Å
500	F	55.5	Low	54.2	Low	20 Å²	20	82 Å²	82	9%	0.088	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	147.4	174.6	-64.4	-94.1	0	0	0	110.7	D484 W498 Y556 Y557 L559	D484-F500 HydrophobicContact CB-CD1 4.47Å; D484-F500 HydrophobicContact CB-CE1 3.89Å; W498-F500 HydrophobicContact CB-CD2 3.79Å; W498-F500 HydrophobicContact CB-CE2 3.31Å; W498-F500 HydrophobicContact CB-CZ 4Å; W498-F500 HydrophobicContact CD2-CZ 4.47Å; W498-F500 HydrophobicContact CE3-CZ 4.4Å; W498-F500 HydrophobicContact CG-CE2 4.05Å; W498-F500 HydrophobicContact CG-CZ 4.33Å; F500-Y556 WeakPolarHBondContact O-CA 3.18Å; F500-Y557 HydrophobicContact CB-CD1 3.78Å; F500-Y557 HydrophobicContact CB-CD2 3.86Å; F500-Y557 HydrophobicContact CB-CE1 3.31Å; F500-Y557 HydrophobicContact CB-CE2 3.4Å; F500-Y557 HydrophobicContact CB-CG 4.04Å; F500-Y557 WeakPolarHBondContact CB-OH 3.22Å; F500-Y557 HydrophobicContact CD1-CE2 4.27Å; F500-Y557 WeakPolarHBondContact CD1-OH 3.5Å; F500-Y557 AromaticContact CD2-CD2 3.82Å; F500-Y557 HydrophobicContact CD2-CD2 3.82Å; F500-Y557 AromaticContact CD2-CE2 3.32Å; F500-Y557 HydrophobicContact CD2-CE2 3.32Å; F500-Y557 AromaticContact CD2-CZ 3.89Å; F500-Y557 HydrophobicContact CE2-CE2 4.07Å; F500-Y557 HydrophobicContact CG-CD2 4.16Å; F500-Y557 HydrophobicContact CG-CE1 4.2Å; F500-Y557 AromaticContact CG-CE2 3.44Å; F500-Y557 HydrophobicContact CG-CE2 3.44Å; F500-Y557 VanDerWaalsContact CG-CE2 3.44Å; F500-Y557 AromaticContact CG-CZ 3.45Å; F500-Y557 VanDerWaalsContact CG-CZ 3.45Å; F500-Y557 WeakPolarHBondContact CG-OH 3.47Å; F500-Y557 PolarHBondContact N-O 3.5Å; F500-Y557 PolarHBondContact O-N 2.89Å; F500-Y557 VanDerWaalsContact O-N 3.12Å; F500-L559 HydrophobicContact CD2-CD1 4.31Å; F500-L559 HydrophobicContact CE2-CB 4.38Å; F500-L559 HydrophobicContact CE2-CD1 3.84Å
501	V	56.2	Low	55.8	Low	61 Å²	61	77.5 Å²	77.5	37%	0.37	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	84.7	-174.9	-169.8	0	0	0	0	111.2	L499 R554 F555 Y556	L499-V501 HydrophobicContact CG-CG2 4.44Å; V501-R554 HydrophobicContact CG1-CB 3.95Å; V501-R554 HydrophobicContact CG1-CG 4.01Å; V501-F555 WeakPolarHBondContact CA-O 3.43Å; V501-Y556 HydrophobicContact CB-CD1 4.49Å; V501-Y556 HydrophobicContact CB-CE1 4.46Å; V501-Y556 HydrophobicContact CG1-CD1 4.18Å; V501-Y556 HydrophobicContact CG1-CE1 3.87Å; V501-Y556 HydrophobicContact CG2-CD1 3.64Å; V501-Y556 HydrophobicContact CG2-CE1 3.67Å
502	Q	63.3	Low	57.8	Low	41 Å²	41	69 Å²	69	19%	0.192	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	130.7	178.2	-175.1	62.5	2.9	0	0	110.7	F504 R554 F555 Y557	Q502-F504 HydrophobicContact CB-CE2 4.24Å; Q502-F504 HydrophobicContact CG-CD2 4.06Å; Q502-F504 HydrophobicContact CG-CE1 4.34Å; Q502-F504 HydrophobicContact CG-CE2 3.46Å; Q502-F504 VanDerWaalsContact CG-CE2 3.46Å; Q502-F504 HydrophobicContact CG-CZ 3.63Å; Q502-R554 CarbonylContact O-C 3.52Å; Q502-R554 WeakPolarHBondContact O-CA 3.39Å; Q502-F555 PolarHBondContact N-O 2.87Å; Q502-F555 PolarHBondContact O-N 3.15Å; Q502-Y557 HydrophobicContact CB-CE1 4.49Å
503	C	61.5	Low	59.8	Low	63 Å²	63	64.2 Å²	64.2	43%	0.426	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	118.4	176	-64.2	0	0	0	0	110.7	T553	C503-T553 WeakPolarHBondContact CA-O 3.31Å
504	F	66.3	Low	62.2	Low	33 Å²	33	63 Å²	63	15%	0.145	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	137.4	168.4	-64.9	-79.5	0	0	0	110	F475 I477 Q502 S552 T553	F475-F504 HydrophobicContact CB-CD1 4.33Å; F475-F504 HydrophobicContact CB-CD2 4.39Å; F475-F504 HydrophobicContact CB-CE1 4.03Å; F475-F504 HydrophobicContact CB-CE2 4.08Å; F475-F504 HydrophobicContact CB-CZ 3.89Å; F475-F504 HydrophobicContact CD1-CB 3.75Å; F475-F504 AromaticContact CD1-CD1 3.61Å; F475-F504 HydrophobicContact CD1-CD1 3.61Å; F475-F504 HydrophobicContact CD1-CD2 4Å; F475-F504 HydrophobicContact CD1-CE1 4.16Å; F475-F504 AromaticContact CD1-CG 3.51Å; F475-F504 HydrophobicContact CD1-CG 3.51Å; F475-F504 HydrophobicContact CE1-CB 3.72Å; F475-F504 HydrophobicContact CE1-CD1 4.4Å; F475-F504 HydrophobicContact CE1-CG 4.04Å; F475-F504 HydrophobicContact CG-CD1 4.36Å; F475-F504 HydrophobicContact CG-CD2 4.29Å; F475-F504 HydrophobicContact CG-CE2 4.47Å; F475-F504 HydrophobicContact CG-CG 4.23Å; I477-F504 HydrophobicContact CG1-CZ 4.26Å; Q502-F504 HydrophobicContact CB-CE2 4.24Å; Q502-F504 HydrophobicContact CG-CD2 4.06Å; Q502-F504 HydrophobicContact CG-CE1 4.34Å; Q502-F504 HydrophobicContact CG-CE2 3.46Å; Q502-F504 VanDerWaalsContact CG-CE2 3.46Å; Q502-F504 HydrophobicContact CG-CZ 3.63Å; F504-S552 CarbonylContact O-C 3.58Å; F504-S552 WeakPolarHBondContact O-CA 3.32Å; F504-T553 PolarHBondContact N-O 2.89Å; F504-T553 PolarHBondContact O-N 3.41Å; F504-T553 PolarHBondContact O-OG1 3.34Å; F504-T553 VanDerWaalsContact O-OG1 3.1Å
505	S	64.8	Low	64.1	Low	88 Å²	88	56.1 Å²	56.1	62%	0.615	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.4	143.2	172.7	57.5	0	0	0	0	111.7	V551	S505-V551 CarbonylContact C-O 3.52Å; S505-V551 VanDerWaalsContact CA-O 3.27Å; S505-V551 WeakPolarHBondContact CA-O 3.34Å
506	F	68.6	Low	66	Low	26 Å²	26	50.4 Å²	50.4	11%	0.114	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	136.8	168.5	59.4	-97.3	0	0	0	110.5	I462 F550 V551 T553	I462-F506 HydrophobicContact CD1-CE2 4.3Å; I462-F506 HydrophobicContact CG2-CB 4.16Å; I462-F506 HydrophobicContact CG2-CD2 3.61Å; I462-F506 HydrophobicContact CG2-CE2 4.21Å; I462-F506 HydrophobicContact CG2-CG 4.12Å; F506-F550 WeakPolarHBondContact O-CA 3.45Å; F506-V551 HydrophobicContact CD1-CB 4.22Å; F506-V551 HydrophobicContact CD2-CB 3.95Å; F506-V551 HydrophobicContact CD2-CG2 4.19Å; F506-V551 HydrophobicContact CE1-CB 3.8Å; F506-V551 HydrophobicContact CE1-CG1 3.8Å; F506-V551 HydrophobicContact CE2-CB 3.52Å; F506-V551 HydrophobicContact CE2-CG1 4.16Å; F506-V551 HydrophobicContact CE2-CG2 3.56Å; F506-V551 HydrophobicContact CG-CB 4.31Å; F506-V551 HydrophobicContact CZ-CB 3.45Å; F506-V551 VanDerWaalsContact CZ-CB 3.45Å; F506-V551 HydrophobicContact CZ-CG1 3.57Å; F506-V551 HydrophobicContact CZ-CG2 3.84Å; F506-V551 PolarHBondContact N-O 2.87Å; F506-V551 PolarHBondContact O-N 2.87Å; F506-T553 HydrophobicContact CE1-CG2 4Å
507	S	68.4	Low	67.8	Low	31 Å²	31	54 Å²	54	22%	0.217	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	121.4	171.4	-169.1	0	0	0	0	108.7	G463 H548 F549	G463-S507 PolarHBondContact N-O 2.73Å; S507-H548 PolarHBondContact OG-ND1 2.92Å; S507-F549 CarbonylContact C-O 3.59Å; S507-F549 WeakPolarHBondContact CA-O 3.39Å
508	G	72.3	Confident	69.4	Low	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	143.3	164.4	0	0	0	0	0	110.6	K461 H548 F549	K461-G508 CarbonylContact O-C 3.54Å; K461-G508 WeakPolarHBondContact O-CA 3.2Å; G508-H548 WeakPolarHBondContact O-CA 3.35Å; G508-F549 VanDerWaalsContact CA-CE1 3.42Å; G508-F549 PolarHBondContact N-O 2.79Å; G508-F549 WeakPolarHBondContact O-CD1 3.2Å; G508-F549 PolarHBondContact O-N 3.08Å
509	Q	75.8	Confident	70.7	Confident	62 Å²	62	51 Å²	51	29%	0.29	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	126.6	-179.2	-172.4	-172.4	51	0	0	109.6	K461 S511 H548	K461-Q509 PolarHBondContact N-O 3.02Å; K461-Q509 PolarHBondContact O-N 2.83Å; Q509-S511 PolarHBondContact O-N 2.79Å; Q509-H548 PolarHBondContact NE2-CE1 3.17Å; Q509-H548 PolarHBondContact NE2-NE2 2.92Å; Q509-H548 VanDerWaalsContact NE2-NE2 3.11Å
510	N	81.2	Confident	71.8	Confident	2 Å²	2	50 Å²	50	1%	0.011	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	115.4	166.3	-176	1.6	0	0	0	109.1	E459 L460 G512 M514 L516 V543 A544	E459-N510 PolarHBondContact O-OD1 3.32Å; L460-N510 HydrophobicContact CD1-CB 4.22Å; N510-G512 PolarHBondContact OD1-N 2.85Å; N510-G512 PolarHBondContact OD1-O 2.92Å; N510-M514 PolarHBondContact ND2-O 2.72Å; N510-L516 HydrophobicContact CB-CD1 4.49Å; N510-L516 PolarHBondContact ND2-N 3.24Å; N510-L516 WeakPolarHBondContact OD1-CD1 3.41Å; N510-V543 HydrophobicContact CB-CB 4.38Å; N510-V543 HydrophobicContact CB-CG1 3.71Å; N510-V543 PolarHBondContact ND2-O 3.5Å; N510-A544 WeakPolarHBondContact CB-O 3.46Å
511	S	78.8	Confident	72.7	Confident	36 Å²	36	50 Å²	50	25%	0.252	27%	0.273	S	S	.	.			trans	-114.2	4.7	178.1	56.5	0	0	0	0	112.4	E459 K461 Q509	E459-S511 WeakPolarHBondContact CG-OG 3.34Å; E459-S511 PolarHBondContact O-N 3.44Å; E459-S511 PolarHBondContact O-OG 3.02Å; K461-S511 WeakPolarHBondContact CE-OG 3.45Å; Q509-S511 PolarHBondContact O-N 2.79Å
512	G	80	Confident	73.5	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.266	C	S	.	.	S	Bend	trans	-85.8	160.3	168.9	0	0	0	0	0	112	K457 E459 N510 M514 N545	K457-G512 CarbonylContact O-C 3.5Å; K457-G512 WeakPolarHBondContact O-CA 3.1Å; E459-G512 PolarHBondContact O-N 3.08Å; N510-G512 PolarHBondContact OD1-N 2.85Å; N510-G512 PolarHBondContact OD1-O 2.92Å; G512-M514 PolarHBondContact O-N 3Å; G512-M514 VanDerWaalsContact O-N 3.13Å; G512-N545 PolarHBondContact O-ND2 2.86Å
513	E	83.6	Confident	74	Confident	71 Å²	71	47.4 Å²	47.4	33%	0.332	26%	0.261	S	S	.	.	S	Bend	trans	-78.1	5.9	-172.9	-58.1	173.3	99	0	0	114.1	L321 R454 A456 K457	L321-E513 HydrophobicContact CD2-CB 3.6Å; R454-E513 IonicContact CZ-OE1 3.58Å; R454-E513 IonicContact CZ-OE2 2.69Å; R454-E513 IonicContact NH1-OE1 2.78Å; R454-E513 PolarHBondContact NH1-OE1 3.05Å; R454-E513 VanDerWaalsContact NH2-CD 3.3Å; R454-E513 IonicContact NH2-OE1 3.35Å; R454-E513 PolarHBondContact NH2-OE1 3.42Å; R454-E513 IonicContact NH2-OE2 3.67Å; R454-E513 PolarHBondContact NH2-OE2 2.81Å; R454-E513 VanDerWaalsContact NH2-OE2 3.09Å; A456-E513 HydrophobicContact CB-CB 4.45Å; K457-E513 PolarHBondContact N-OE2 3.02Å; K457-E513 PolarHBondContact O-N 3.4Å
514	M	80.9	Confident	74.5	Confident	77 Å²	77	47.8 Å²	47.8	38%	0.379	26%	0.258	S	S	.	.	S	Bend	trans	-136.5	142.8	-174	-164.7	70.1	-174.9	0	0	109.9	A456 L458 N510 G512	A456-M514 HydrophobicContact CB-CB 4.33Å; L458-M514 HydrophobicContact CD2-CB 3.65Å; L458-M514 HydrophobicContact CD2-CG 4.35Å; N510-M514 PolarHBondContact ND2-O 2.72Å; G512-M514 PolarHBondContact O-N 3Å; G512-M514 VanDerWaalsContact O-N 3.13Å
515	P	80.4	Confident	74.9	Confident	61 Å²	61	49.2 Å²	49.2	40%	0.396	28%	0.282	S	S	.	.			trans	-57.1	142	171.8	23.9	-35.2	0	0	0	111.9	L542	P515-L542 HydrophobicContact CB-CD2 4.4Å
516	L	75.7	Confident	75.5	Confident	32 Å²	32	52.2 Å²	52.2	17%	0.168	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	149.8	-179.3	-68.3	175.5	0	0	0	110.5	L458 L460 N510 V543	L458-L516 HydrophobicContact CB-CD2 4.36Å; L458-L516 HydrophobicContact CD1-CD2 4.36Å; L458-L516 HydrophobicContact CD2-CD2 4.03Å; L458-L516 HydrophobicContact CG-CD2 4.49Å; L460-L516 HydrophobicContact CB-CD1 3.94Å; L460-L516 HydrophobicContact CD1-CD1 3.82Å; L460-L516 HydrophobicContact CG-CD1 4.47Å; N510-L516 HydrophobicContact CB-CD1 4.49Å; N510-L516 PolarHBondContact ND2-N 3.24Å; N510-L516 WeakPolarHBondContact OD1-CD1 3.41Å; L516-V543 PolarHBondContact N-O 3.15Å; L516-V543 PolarHBondContact O-N 3.2Å
517	Y	74.7	Confident	76	Confident	154 Å²	154	54.2 Å²	54.2	60%	0.604	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.6	119.2	174.1	-68.5	-96.7	0	0	0	109.4	T519 L542	Y517-T519 PolarHBondContact O-N 3.1Å; Y517-L542 HydrophobicContact CD1-CB 4.09Å; Y517-L542 HydrophobicContact CD1-CG 4.16Å; Y517-L542 HydrophobicContact CE1-CB 3.89Å; Y517-L542 HydrophobicContact CE1-CD1 3.66Å; Y517-L542 HydrophobicContact CE1-CG 3.63Å; Y517-L542 HydrophobicContact CE2-CG 4.49Å; Y517-L542 WeakPolarHBondContact OH-CD1 3.47Å
518	V	74.5	Confident	76.2	Confident	16 Å²	16	54.5 Å²	54.5	10%	0.097	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	108.2	173.3	-179.4	0	0	0	0	107.8	L460 I521 N540 V541 V543 F549	L460-V518 HydrophobicContact CD2-CG2 4.4Å; V518-I521 HydrophobicContact CG1-CD1 4.19Å; V518-I521 HydrophobicContact CG1-CG1 3.86Å; V518-N540 WeakPolarHBondContact O-CA 3.49Å; V518-V541 PolarHBondContact N-O 2.75Å; V518-V541 PolarHBondContact O-N 3.42Å; V518-V543 HydrophobicContact CG2-CG2 3.96Å; V518-F549 HydrophobicContact CG2-CE2 4.17Å; V518-F549 HydrophobicContact CG2-CZ 4.02Å
519	T	73.3	Confident	76.4	Confident	96 Å²	96	60.1 Å²	60.1	59%	0.589	33%	0.325	S	S	*	.			trans	-96.9	-18.6	-173.1	54.9	0	0	0	0	114.6	Y517	Y517-T519 PolarHBondContact O-N 3.1Å
520	N	72	Confident	76.4	Confident	81 Å²	81	58.5 Å²	58.5	43%	0.433	32%	0.318	S	S	.	.			trans	-158.8	149.3	176.9	-167.1	-2.6	0	0	0	109.8	F538	N520-F538 WeakPolarHBondContact OD1-CE2 3.13Å; N520-F538 WeakPolarHBondContact OD1-CZ 3.42Å
521	I	74.6	Confident	76	Confident	19 Å²	19	65.7 Å²	65.7	10%	0.097	35%	0.345	C	S	.	.			trans	-130.6	111.8	170.6	-54.2	178.7	0	0	0	107.3	V518 C528 V535 F538 V551	V518-I521 HydrophobicContact CG1-CD1 4.19Å; V518-I521 HydrophobicContact CG1-CG1 3.86Å; I521-C528 PolarHBondContact O-N 3.42Å; I521-C528 VanDerWaalsContact O-N 3.13Å; I521-V535 HydrophobicContact CB-CG2 4.35Å; I521-V535 HydrophobicContact CD1-CG1 4.29Å; I521-V535 HydrophobicContact CG2-CG1 4.46Å; I521-V535 HydrophobicContact CG2-CG2 3.8Å; I521-F538 HydrophobicContact CB-CE2 4.5Å; I521-V551 HydrophobicContact CD1-CG1 4.06Å; I521-V551 HydrophobicContact CD1-CG2 3.9Å
522	S	73.4	Confident	75.4	Confident	34 Å²	34	65.5 Å²	65.5	24%	0.238	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	136.1	-175.2	59.8	0	0	0	0	112.6	Y526	S522-Y526 CarbonylContact C-O 3.57Å; S522-Y526 WeakPolarHBondContact CA-O 3.47Å
523	I	72.9	Confident	75	Confident	14 Å²	14	68.9 Å²	68.9	7%	0.072	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	115.2	176.9	-54.8	177.3	0	0	0	108.1	G525 Y526 N530 F533 V535 W580	I523-G525 PolarHBondContact O-N 2.85Å; I523-Y526 PolarHBondContact N-O 3.22Å; I523-Y526 PolarHBondContact O-N 3.13Å; I523-Y526 VanDerWaalsContact O-N 3.08Å; I523-N530 HydrophobicContact CB-CB 3.89Å; I523-N530 HydrophobicContact CG2-CB 3.86Å; I523-N530 WeakPolarHBondContact O-CB 3.47Å; I523-N530 PolarHBondContact O-ND2 2.8Å; I523-F533 HydrophobicContact CD1-CB 3.71Å; I523-F533 HydrophobicContact CG2-CB 4.38Å; I523-V535 HydrophobicContact CD1-CG2 4.02Å; I523-V535 HydrophobicContact CG1-CG2 4.3Å; I523-W580 HydrophobicContact CG1-CZ3 4.46Å
524	N	72.7	Confident	74.3	Confident	71 Å²	71	71.2 Å²	71.2	38%	0.38	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.5	40.6	-173.7	-80.6	-25.6	0	0	0	112.8	Y526 N530 Q578	N524-Y526 VanDerWaalsContact C-N 3.34Å; N524-Y526 WeakPolarHBondContact O-CD2 3.27Å; N524-Y526 PolarHBondContact O-N 2.69Å; N524-N530 WeakPolarHBondContact CB-ND2 3.06Å; N524-Q578 PolarHBondContact ND2-OE1 3.31Å
525	G	75.2	Confident	73.7	Confident	63 Å²	63	67.8 Å²	67.8	65%	0.649	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.2	-10.5	-179.7	0	0	0	0	0	116.3	I523	I523-G525 PolarHBondContact O-N 2.85Å
526	Y	77.2	Confident	72.9	Confident	150 Å²	150	65.9 Å²	65.9	59%	0.588	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.3	129.6	177.8	-69.6	-105.9	0	0	0	110.2	S522 I523 N524 N530	S522-Y526 CarbonylContact C-O 3.57Å; S522-Y526 WeakPolarHBondContact CA-O 3.47Å; I523-Y526 PolarHBondContact N-O 3.22Å; I523-Y526 PolarHBondContact O-N 3.13Å; I523-Y526 VanDerWaalsContact O-N 3.08Å; N524-Y526 VanDerWaalsContact C-N 3.34Å; N524-Y526 WeakPolarHBondContact O-CD2 3.27Å; N524-Y526 PolarHBondContact O-N 2.69Å; Y526-N530 WeakPolarHBondContact CD2-ND2 3.45Å
527	P	78.6	Confident	72.2	Confident	69 Å²	69	70.8 Å²	70.8	45%	0.448	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	147.3	179	29.4	-35.1	0	0	0	111.1	Q529	P527-Q529 PolarHBondContact O-N 3.08Å
528	C	71.9	Confident	71.4	Confident	37 Å²	37	67.9 Å²	67.9	25%	0.25	36%	0.36	C	S	.	.	S	Bend	trans	64.9	-43	175.6	-43.6	0	0	0	0	116.8	I521 R534 V535 F538	I521-C528 PolarHBondContact O-N 3.42Å; I521-C528 VanDerWaalsContact O-N 3.13Å; C528-R534 CarbonylContact O-C 3.54Å; C528-R534 WeakPolarHBondContact O-CA 3.41Å; C528-V535 PolarHBondContact O-N 3.12Å; C528-F538 HydrophobicContact CB-CD2 4.17Å; C528-F538 HydrophobicContact CB-CE2 4.46Å; C528-F538 HydrophobicContact CB-CG 4.41Å; C528-F538 VanDerWaalsContact SG-CD1 3.55Å; C528-F538 WeakPolarHBondContact SG-CD2 3.45Å; C528-F538 VanDerWaalsContact SG-CE1 3.57Å; C528-F538 WeakPolarHBondContact SG-CE2 3.5Å; C528-F538 WeakPolarHBondContact SG-CG 3.44Å; C528-F538 VanDerWaalsContact SG-CZ 3.51Å
529	Q	76.7	Confident	70.6	Confident	117 Å²	117	69 Å²	69	55%	0.547	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	144.8	-169.2	63.4	-175.9	13	0	0	113.4	P527 F533 R534	P527-Q529 PolarHBondContact O-N 3.08Å; Q529-F533 CarbonylContact C-O 3.56Å; Q529-F533 VanDerWaalsContact CA-O 3.22Å; Q529-F533 WeakPolarHBondContact CA-O 3.32Å; Q529-F533 WeakPolarHBondContact CB-O 3.42Å; Q529-R534 HydrophobicContact CB-CB 4.11Å; Q529-R534 HydrophobicContact CB-CG 4.21Å
530	N	76.5	Confident	69.9	Low	28 Å²	28	70.6 Å²	70.6	15%	0.15	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	145.8	171	-155.6	-8.1	0	0	0	111.8	I523 N524 Y526 G532 F533	I523-N530 HydrophobicContact CB-CB 3.89Å; I523-N530 HydrophobicContact CG2-CB 3.86Å; I523-N530 WeakPolarHBondContact O-CB 3.47Å; I523-N530 PolarHBondContact O-ND2 2.8Å; N524-N530 WeakPolarHBondContact CB-ND2 3.06Å; Y526-N530 WeakPolarHBondContact CD2-ND2 3.45Å; N530-G532 VanDerWaalsContact C-N 3.31Å; N530-G532 PolarHBondContact O-N 2.95Å; N530-G532 VanDerWaalsContact O-N 3.12Å; N530-F533 PolarHBondContact N-O 3.23Å; N530-F533 WeakPolarHBondContact O-CB 3.49Å; N530-F533 PolarHBondContact O-N 3.01Å
531	R	71.4	Confident	69.5	Low	153 Å²	153	69.3 Å²	69.3	58%	0.577	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	42.7	47	172.1	-60.6	-176.7	-175.1	-178.1	-1.4	115.5	F533	R531-F533 VanDerWaalsContact C-N 3.31Å; R531-F533 WeakPolarHBondContact O-CD2 3.21Å; R531-F533 PolarHBondContact O-N 3.13Å
532	G	67.9	Low	68.7	Low	33 Å²	33	72.2 Å²	72.2	34%	0.34	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.7	-8.8	179.9	0	0	0	0	0	115.3	N530 F555 Y556	N530-G532 VanDerWaalsContact C-N 3.31Å; N530-G532 PolarHBondContact O-N 2.95Å; N530-G532 VanDerWaalsContact O-N 3.12Å; G532-F555 WeakPolarHBondContact O-CA 3.49Å; G532-Y556 WeakPolarHBondContact O-CD2 3.46Å; G532-Y556 PolarHBondContact O-N 3.08Å
533	F	70.9	Confident	68.1	Low	71 Å²	71	70.6 Å²	70.6	31%	0.311	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	140.1	171.5	-60	-94.7	0	0	0	111	I523 Q529 N530 R531 R554 F555	I523-F533 HydrophobicContact CD1-CB 3.71Å; I523-F533 HydrophobicContact CG2-CB 4.38Å; Q529-F533 CarbonylContact C-O 3.56Å; Q529-F533 VanDerWaalsContact CA-O 3.22Å; Q529-F533 WeakPolarHBondContact CA-O 3.32Å; Q529-F533 WeakPolarHBondContact CB-O 3.42Å; N530-F533 PolarHBondContact N-O 3.23Å; N530-F533 WeakPolarHBondContact O-CB 3.49Å; N530-F533 PolarHBondContact O-N 3.01Å; R531-F533 VanDerWaalsContact C-N 3.31Å; R531-F533 WeakPolarHBondContact O-CD2 3.21Å; R531-F533 PolarHBondContact O-N 3.13Å; F533-R554 CarbonylContact C-O 3.59Å; F533-R554 WeakPolarHBondContact CA-O 3.45Å; F533-F555 HydrophobicContact CD1-CB 4.33Å; F533-F555 AromaticContact CD1-CD2 3.77Å; F533-F555 HydrophobicContact CD1-CD2 3.77Å; F533-F555 HydrophobicContact CD1-CG 4.46Å; F533-F555 HydrophobicContact CD2-CD2 4.1Å; F533-F555 HydrophobicContact CD2-CE2 4.33Å; F533-F555 HydrophobicContact CE1-CB 4.35Å; F533-F555 AromaticContact CE1-CD2 3.5Å; F533-F555 HydrophobicContact CE1-CD2 3.5Å; F533-F555 VanDerWaalsContact CE1-CD2 3.5Å; F533-F555 HydrophobicContact CE1-CE2 4.11Å; F533-F555 HydrophobicContact CE1-CG 4.16Å; F533-F555 AromaticContact CE2-CD2 3.84Å; F533-F555 HydrophobicContact CE2-CD2 3.84Å; F533-F555 AromaticContact CE2-CE2 3.77Å; F533-F555 HydrophobicContact CE2-CE2 3.77Å; F533-F555 HydrophobicContact CG-CD2 4.07Å; F533-F555 AromaticContact CZ-CD2 3.53Å; F533-F555 HydrophobicContact CZ-CD2 3.53Å; F533-F555 AromaticContact CZ-CE2 3.65Å; F533-F555 HydrophobicContact CZ-CE2 3.65Å; F533-F555 HydrophobicContact CZ-CG 4.49Å
534	R	68.1	Low	67.4	Low	119 Å²	119	71.6 Å²	71.6	45%	0.449	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	127.9	175.5	177.7	176.2	176.5	-176.5	3.7	111.3	C528 Q529 A536 T553 R554 Y556	C528-R534 CarbonylContact O-C 3.54Å; C528-R534 WeakPolarHBondContact O-CA 3.41Å; Q529-R534 HydrophobicContact CB-CB 4.11Å; Q529-R534 HydrophobicContact CB-CG 4.21Å; R534-A536 PolarHBondContact O-N 2.86Å; R534-T553 CarbonylContact O-C 3.56Å; R534-T553 WeakPolarHBondContact O-CA 3.11Å; R534-R554 PolarHBondContact N-O 3.31Å; R534-R554 PolarHBondContact O-N 2.89Å; R534-Y556 HydrophobicContact CB-CE2 3.98Å
535	V	70	Confident	66.6	Low	5 Å²	5	72.1 Å²	72.1	3%	0.03	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	125	168.8	-174.6	0	0	0	0	109.4	I521 I523 C528 V551	I521-V535 HydrophobicContact CB-CG2 4.35Å; I521-V535 HydrophobicContact CD1-CG1 4.29Å; I521-V535 HydrophobicContact CG2-CG1 4.46Å; I521-V535 HydrophobicContact CG2-CG2 3.8Å; I523-V535 HydrophobicContact CD1-CG2 4.02Å; I523-V535 HydrophobicContact CG1-CG2 4.3Å; C528-V535 PolarHBondContact O-N 3.12Å; V535-V551 HydrophobicContact CG1-CG1 3.73Å
536	A	61.8	Low	65.3	Low	22 Å²	22	74.1 Å²	74.1	18%	0.182	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	150.4	163.6	0	0	0	0	0	109.2	R534 S552	R534-A536 PolarHBondContact O-N 2.86Å; A536-S552 PolarHBondContact N-O 2.85Å
537	N	62.2	Low	63.8	Low	135 Å²	135	71.4 Å²	71.4	72%	0.722	39%	0.387	S	S	*	.	S	Bend	trans	59.9	48.2	-170	-54.9	-9.3	0	0	0	113.1
538	F	57.1	Low	62.6	Low	92 Å²	92	72.6 Å²	72.6	40%	0.404	39%	0.386	S	S	.	.			trans	-75.5	122.5	170.6	-174	-88.1	0	0	0	110.8	N520 I521 C528	N520-F538 WeakPolarHBondContact OD1-CE2 3.13Å; N520-F538 WeakPolarHBondContact OD1-CZ 3.42Å; I521-F538 HydrophobicContact CB-CE2 4.5Å; C528-F538 HydrophobicContact CB-CD2 4.17Å; C528-F538 HydrophobicContact CB-CE2 4.46Å; C528-F538 HydrophobicContact CB-CG 4.41Å; C528-F538 VanDerWaalsContact SG-CD1 3.55Å; C528-F538 WeakPolarHBondContact SG-CD2 3.45Å; C528-F538 VanDerWaalsContact SG-CE1 3.57Å; C528-F538 WeakPolarHBondContact SG-CE2 3.5Å; C528-F538 WeakPolarHBondContact SG-CG 3.44Å; C528-F538 VanDerWaalsContact SG-CZ 3.51Å
539	G	58.1	Low	61.6	Low	39 Å²	39	71.8 Å²	71.8	40%	0.402	38%	0.379	S	S	.	.	S	Bend	trans	172.9	174.5	178.2	0	0	0	0	0	111.5	V541	G539-V541 PolarHBondContact O-N 2.8Å
540	N	59.5	Low	60.3	Low	130 Å²	130	72.8 Å²	72.8	70%	0.695	38%	0.381	S	S	*	.			trans	-72.4	107.1	176.6	-73.5	-21.2	0	0	0	110.4	V518	V518-N540 WeakPolarHBondContact O-CA 3.49Å
541	V	62.3	Low	59.2	Low	54 Å²	54	71.8 Å²	71.8	33%	0.327	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	122.2	178.5	-177.8	0	0	0	0	110.3	V518 G539 V543 F549	V518-V541 PolarHBondContact N-O 2.75Å; V518-V541 PolarHBondContact O-N 3.42Å; G539-V541 PolarHBondContact O-N 2.8Å; V541-V543 HydrophobicContact CG1-CG2 4.09Å; V541-F549 HydrophobicContact CG1-CB 4.21Å
542	L	58.2	Low	58.2	Low	80 Å²	80	66 Å²	66	42%	0.419	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	114	168.2	-168	170.7	0	0	0	108.3	P515 Y517 A544	P515-L542 HydrophobicContact CB-CD2 4.4Å; Y517-L542 HydrophobicContact CD1-CB 4.09Å; Y517-L542 HydrophobicContact CD1-CG 4.16Å; Y517-L542 HydrophobicContact CE1-CB 3.89Å; Y517-L542 HydrophobicContact CE1-CD1 3.66Å; Y517-L542 HydrophobicContact CE1-CG 3.63Å; Y517-L542 HydrophobicContact CE2-CG 4.49Å; Y517-L542 WeakPolarHBondContact OH-CD1 3.47Å; L542-A544 HydrophobicContact CD2-CB 4.15Å
543	V	61.1	Low	57.3	Low	0 Å²	0	64.6 Å²	64.6	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	94.2	176.3	-165.9	0	0	0	0	108.3	L460 N510 L516 V518 V541 M547 F549	L460-V543 HydrophobicContact CD1-CG1 4.41Å; N510-V543 HydrophobicContact CB-CB 4.38Å; N510-V543 HydrophobicContact CB-CG1 3.71Å; N510-V543 PolarHBondContact ND2-O 3.5Å; L516-V543 PolarHBondContact N-O 3.15Å; L516-V543 PolarHBondContact O-N 3.2Å; V518-V543 HydrophobicContact CG2-CG2 3.96Å; V541-V543 HydrophobicContact CG1-CG2 4.09Å; V543-M547 HydrophobicContact CG1-CB 4.24Å; V543-M547 WeakPolarHBondContact CG1-O 3.46Å; V543-F549 HydrophobicContact CB-CD1 4.3Å; V543-F549 HydrophobicContact CG1-CD1 3.72Å; V543-F549 HydrophobicContact CG1-CE1 4.32Å; V543-F549 HydrophobicContact CG2-CB 4.22Å; V543-F549 HydrophobicContact CG2-CD1 3.51Å; V543-F549 HydrophobicContact CG2-CD2 4.44Å; V543-F549 HydrophobicContact CG2-CE1 3.92Å; V543-F549 HydrophobicContact CG2-CG 3.82Å
544	A	57.6	Low	56.4	Low	35 Å²	35	66.4 Å²	66.4	29%	0.289	35%	0.349	S	S	.	.			trans	-64.5	167.6	173.5	0	0	0	0	0	111.2	N510 L542 M547	N510-A544 WeakPolarHBondContact CB-O 3.46Å; L542-A544 HydrophobicContact CD2-CB 4.15Å; A544-M547 HydrophobicContact CB-CB 4.1Å; A544-M547 HydrophobicContact CB-SD 4.33Å; A544-M547 WeakPolarHBondContact O-CA 3.47Å; A544-M547 WeakPolarHBondContact O-CB 3.38Å; A544-M547 PolarHBondContact O-N 2.76Å
545	N	57.1	Low	55.8	Low	83 Å²	83	63 Å²	63	44%	0.444	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	128.2	167.5	177.5	-8.1	0	0	0	108.8	G512	G512-N545 PolarHBondContact O-ND2 2.86Å
546	P	47.3	Very low	55	Low	104 Å²	104	66 Å²	66	68%	0.675	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	cis	-95.8	97.8	-8	33.1	-27.6	0	0	0	110.6
547	M	45.6	Very low	54.5	Low	94 Å²	94	66.4 Å²	66.4	46%	0.463	35%	0.345	S	S	.	.			trans	-110.6	132	177.3	-163	173.9	-173.7	0	0	110.9	V543 A544	V543-M547 HydrophobicContact CG1-CB 4.24Å; V543-M547 WeakPolarHBondContact CG1-O 3.46Å; A544-M547 HydrophobicContact CB-CB 4.1Å; A544-M547 HydrophobicContact CB-SD 4.33Å; A544-M547 WeakPolarHBondContact O-CA 3.47Å; A544-M547 WeakPolarHBondContact O-CB 3.38Å; A544-M547 PolarHBondContact O-N 2.76Å
548	H	53.8	Low	53.8	Low	94 Å²	94	63.9 Å²	63.9	44%	0.435	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	130.1	166.2	-72.5	-99.7	0	0	0	109	S507 G508 Q509 F550	S507-H548 PolarHBondContact OG-ND1 2.92Å; G508-H548 WeakPolarHBondContact O-CA 3.35Å; Q509-H548 PolarHBondContact NE2-CE1 3.17Å; Q509-H548 PolarHBondContact NE2-NE2 2.92Å; Q509-H548 VanDerWaalsContact NE2-NE2 3.11Å; H548-F550 HydrophobicContact CB-CE2 4.49Å
549	F	49.9	Very low	53.4	Low	20 Å²	20	64 Å²	64	9%	0.088	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	138.9	168.4	75.6	-73.3	0	0	0	109.7	L460 S507 G508 V518 V541 V543 V551	L460-F549 HydrophobicContact CD1-CE1 3.99Å; L460-F549 HydrophobicContact CD2-CE1 4.22Å; L460-F549 HydrophobicContact CD2-CZ 4.18Å; L460-F549 HydrophobicContact CG-CE1 4.36Å; S507-F549 CarbonylContact C-O 3.59Å; S507-F549 WeakPolarHBondContact CA-O 3.39Å; G508-F549 VanDerWaalsContact CA-CE1 3.42Å; G508-F549 PolarHBondContact N-O 2.79Å; G508-F549 WeakPolarHBondContact O-CD1 3.2Å; G508-F549 PolarHBondContact O-N 3.08Å; V518-F549 HydrophobicContact CG2-CE2 4.17Å; V518-F549 HydrophobicContact CG2-CZ 4.02Å; V541-F549 HydrophobicContact CG1-CB 4.21Å; V543-F549 HydrophobicContact CB-CD1 4.3Å; V543-F549 HydrophobicContact CG1-CD1 3.72Å; V543-F549 HydrophobicContact CG1-CE1 4.32Å; V543-F549 HydrophobicContact CG2-CB 4.22Å; V543-F549 HydrophobicContact CG2-CD1 3.51Å; V543-F549 HydrophobicContact CG2-CD2 4.44Å; V543-F549 HydrophobicContact CG2-CE1 3.92Å; V543-F549 HydrophobicContact CG2-CG 3.82Å; F549-V551 HydrophobicContact CD2-CG2 3.72Å; F549-V551 HydrophobicContact CE2-CG2 3.41Å; F549-V551 VanDerWaalsContact CE2-CG2 3.41Å; F549-V551 HydrophobicContact CZ-CG2 4.45Å
550	F	50.9	Low	52.6	Low	138 Å²	138	67.6 Å²	67.6	61%	0.605	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.8	115.2	-179.9	-66.6	-86.9	0	0	0	109.7	F506 H548	F506-F550 WeakPolarHBondContact O-CA 3.45Å; H548-F550 HydrophobicContact CB-CE2 4.49Å
551	V	53.2	Low	51.7	Low	6 Å²	6	71.5 Å²	71.5	4%	0.036	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	127.8	168.4	-174.6	0	0	0	0	107.5	S505 F506 I521 V535 F549 T553	S505-V551 CarbonylContact C-O 3.52Å; S505-V551 VanDerWaalsContact CA-O 3.27Å; S505-V551 WeakPolarHBondContact CA-O 3.34Å; F506-V551 HydrophobicContact CD1-CB 4.22Å; F506-V551 HydrophobicContact CD2-CB 3.95Å; F506-V551 HydrophobicContact CD2-CG2 4.19Å; F506-V551 HydrophobicContact CE1-CB 3.8Å; F506-V551 HydrophobicContact CE1-CG1 3.8Å; F506-V551 HydrophobicContact CE2-CB 3.52Å; F506-V551 HydrophobicContact CE2-CG1 4.16Å; F506-V551 HydrophobicContact CE2-CG2 3.56Å; F506-V551 HydrophobicContact CG-CB 4.31Å; F506-V551 HydrophobicContact CZ-CB 3.45Å; F506-V551 VanDerWaalsContact CZ-CB 3.45Å; F506-V551 HydrophobicContact CZ-CG1 3.57Å; F506-V551 HydrophobicContact CZ-CG2 3.84Å; F506-V551 PolarHBondContact N-O 2.87Å; F506-V551 PolarHBondContact O-N 2.87Å; I521-V551 HydrophobicContact CD1-CG1 4.06Å; I521-V551 HydrophobicContact CD1-CG2 3.9Å; V535-V551 HydrophobicContact CG1-CG1 3.73Å; F549-V551 HydrophobicContact CD2-CG2 3.72Å; F549-V551 HydrophobicContact CE2-CG2 3.41Å; F549-V551 VanDerWaalsContact CE2-CG2 3.41Å; F549-V551 HydrophobicContact CZ-CG2 4.45Å; V551-T553 HydrophobicContact CG1-CG2 4.48Å
552	S	48.8	Very low	50.4	Low	31 Å²	31	71.9 Å²	71.9	22%	0.217	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	142.6	171.9	177.5	0	0	0	0	109.4	F504 A536	F504-S552 CarbonylContact O-C 3.58Å; F504-S552 WeakPolarHBondContact O-CA 3.32Å; A536-S552 PolarHBondContact N-O 2.85Å
553	T	49.6	Very low	49.5	Very low	4 Å²	4	74 Å²	74	3%	0.025	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	125.5	179.1	51.8	0	0	0	0	109.3	C503 F504 F506 R534 V551 W580	C503-T553 WeakPolarHBondContact CA-O 3.31Å; F504-T553 PolarHBondContact N-O 2.89Å; F504-T553 PolarHBondContact O-N 3.41Å; F504-T553 PolarHBondContact O-OG1 3.34Å; F504-T553 VanDerWaalsContact O-OG1 3.1Å; F506-T553 HydrophobicContact CE1-CG2 4Å; R534-T553 CarbonylContact O-C 3.56Å; R534-T553 WeakPolarHBondContact O-CA 3.11Å; V551-T553 HydrophobicContact CG1-CG2 4.48Å; T553-W580 HydrophobicContact CG2-CH2 4.46Å
554	R	51.9	Low	48.2	Very low	110 Å²	110	79 Å²	79	42%	0.415	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	126.1	176.2	-72.6	-177.9	175.2	177.3	0.5	109.3	V501 Q502 F533 R534 Y556	V501-R554 HydrophobicContact CG1-CB 3.95Å; V501-R554 HydrophobicContact CG1-CG 4.01Å; Q502-R554 CarbonylContact O-C 3.52Å; Q502-R554 WeakPolarHBondContact O-CA 3.39Å; F533-R554 CarbonylContact C-O 3.59Å; F533-R554 WeakPolarHBondContact CA-O 3.45Å; R534-R554 PolarHBondContact N-O 3.31Å; R534-R554 PolarHBondContact O-N 2.89Å; R554-Y556 HydrophobicContact CB-CE2 3.95Å
555	F	55.2	Low	47.2	Very low	46 Å²	46	81.1 Å²	81.1	20%	0.202	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	117.7	169.9	179.7	-113.9	0	0	0	109.3	I477 V501 Q502 G532 F533 Y557	I477-F555 HydrophobicContact CD1-CD1 4.49Å; I477-F555 HydrophobicContact CD1-CE1 4.34Å; V501-F555 WeakPolarHBondContact CA-O 3.43Å; Q502-F555 PolarHBondContact N-O 2.87Å; Q502-F555 PolarHBondContact O-N 3.15Å; G532-F555 WeakPolarHBondContact O-CA 3.49Å; F533-F555 HydrophobicContact CD1-CB 4.33Å; F533-F555 AromaticContact CD1-CD2 3.77Å; F533-F555 HydrophobicContact CD1-CD2 3.77Å; F533-F555 HydrophobicContact CD1-CG 4.46Å; F533-F555 HydrophobicContact CD2-CD2 4.1Å; F533-F555 HydrophobicContact CD2-CE2 4.33Å; F533-F555 HydrophobicContact CE1-CB 4.35Å; F533-F555 AromaticContact CE1-CD2 3.5Å; F533-F555 HydrophobicContact CE1-CD2 3.5Å; F533-F555 VanDerWaalsContact CE1-CD2 3.5Å; F533-F555 HydrophobicContact CE1-CE2 4.11Å; F533-F555 HydrophobicContact CE1-CG 4.16Å; F533-F555 AromaticContact CE2-CD2 3.84Å; F533-F555 HydrophobicContact CE2-CD2 3.84Å; F533-F555 AromaticContact CE2-CE2 3.77Å; F533-F555 HydrophobicContact CE2-CE2 3.77Å; F533-F555 HydrophobicContact CG-CD2 4.07Å; F533-F555 AromaticContact CZ-CD2 3.53Å; F533-F555 HydrophobicContact CZ-CD2 3.53Å; F533-F555 AromaticContact CZ-CE2 3.65Å; F533-F555 HydrophobicContact CZ-CE2 3.65Å; F533-F555 HydrophobicContact CZ-CG 4.49Å; F555-Y557 AromaticContact CD1-CD1 3.74Å; F555-Y557 HydrophobicContact CD1-CD1 3.74Å; F555-Y557 HydrophobicContact CD1-CG 4.49Å; F555-Y557 AromaticContact CE1-CD1 3.81Å; F555-Y557 HydrophobicContact CE1-CD1 3.81Å; F555-Y557 HydrophobicContact CE1-CG 4.13Å
556	Y	53.4	Low	46	Very low	69 Å²	69	85.1 Å²	85.1	27%	0.271	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	116.5	178	-66.5	-89.6	0	0	0	109.4	L499 F500 V501 G532 R534 R554	L499-Y556 HydrophobicContact CD1-CD1 4.14Å; L499-Y556 HydrophobicContact CD2-CD1 4.34Å; L499-Y556 HydrophobicContact CG-CD1 4.39Å; F500-Y556 WeakPolarHBondContact O-CA 3.18Å; V501-Y556 HydrophobicContact CB-CD1 4.49Å; V501-Y556 HydrophobicContact CB-CE1 4.46Å; V501-Y556 HydrophobicContact CG1-CD1 4.18Å; V501-Y556 HydrophobicContact CG1-CE1 3.87Å; V501-Y556 HydrophobicContact CG2-CD1 3.64Å; V501-Y556 HydrophobicContact CG2-CE1 3.67Å; G532-Y556 WeakPolarHBondContact O-CD2 3.46Å; G532-Y556 PolarHBondContact O-N 3.08Å; R534-Y556 HydrophobicContact CB-CE2 3.98Å; R554-Y556 HydrophobicContact CB-CE2 3.95Å
557	Y	52.5	Low	45.3	Very low	31 Å²	31	86.4 Å²	86.4	12%	0.122	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	140	171.7	61.7	-81.8	0	0	0	111.3	H481 L482 F500 Q502 F555 L559	H481-Y557 PolarHBondContact O-OH 3.05Å; L482-Y557 HydrophobicContact CD2-CE2 3.89Å; L482-Y557 WeakPolarHBondContact CD2-OH 3.37Å; F500-Y557 HydrophobicContact CB-CD1 3.78Å; F500-Y557 HydrophobicContact CB-CD2 3.86Å; F500-Y557 HydrophobicContact CB-CE1 3.31Å; F500-Y557 HydrophobicContact CB-CE2 3.4Å; F500-Y557 HydrophobicContact CB-CG 4.04Å; F500-Y557 WeakPolarHBondContact CB-OH 3.22Å; F500-Y557 HydrophobicContact CD1-CE2 4.27Å; F500-Y557 WeakPolarHBondContact CD1-OH 3.5Å; F500-Y557 AromaticContact CD2-CD2 3.82Å; F500-Y557 HydrophobicContact CD2-CD2 3.82Å; F500-Y557 AromaticContact CD2-CE2 3.32Å; F500-Y557 HydrophobicContact CD2-CE2 3.32Å; F500-Y557 AromaticContact CD2-CZ 3.89Å; F500-Y557 HydrophobicContact CE2-CE2 4.07Å; F500-Y557 HydrophobicContact CG-CD2 4.16Å; F500-Y557 HydrophobicContact CG-CE1 4.2Å; F500-Y557 AromaticContact CG-CE2 3.44Å; F500-Y557 HydrophobicContact CG-CE2 3.44Å; F500-Y557 VanDerWaalsContact CG-CE2 3.44Å; F500-Y557 AromaticContact CG-CZ 3.45Å; F500-Y557 VanDerWaalsContact CG-CZ 3.45Å; F500-Y557 WeakPolarHBondContact CG-OH 3.47Å; F500-Y557 PolarHBondContact N-O 3.5Å; F500-Y557 PolarHBondContact O-N 2.89Å; F500-Y557 VanDerWaalsContact O-N 3.12Å; Q502-Y557 HydrophobicContact CB-CE1 4.49Å; F555-Y557 AromaticContact CD1-CD1 3.74Å; F555-Y557 HydrophobicContact CD1-CD1 3.74Å; F555-Y557 HydrophobicContact CD1-CG 4.49Å; F555-Y557 AromaticContact CE1-CD1 3.81Å; F555-Y557 HydrophobicContact CE1-CD1 3.81Å; F555-Y557 HydrophobicContact CE1-CG 4.13Å; Y557-L559 HydrophobicContact CD2-CD1 4.14Å; Y557-L559 HydrophobicContact CD2-CG 4.2Å; Y557-L559 HydrophobicContact CE2-CD1 4Å
558	V	46.6	Very low	44.7	Very low	82 Å²	82	90.4 Å²	90.4	50%	0.497	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	108.7	-179.4	-178.9	0	0	0	0	108.2	I497 W498 L499 V560	I497-V558 HydrophobicContact CG2-CG1 3.76Å; W498-V558 WeakPolarHBondContact O-CA 3.41Å; L499-V558 HydrophobicContact CD1-CG2 3.69Å; V558-V560 HydrophobicContact CG1-CG2 3.99Å
559	L	48.1	Very low	43.9	Very low	95 Å²	95	91.7 Å²	91.7	50%	0.497	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	100	173.9	-79.3	169.9	0	0	0	109.7	W498 F500 Y557 R561	W498-L559 PolarHBondContact O-N 3.01Å; W498-L559 VanDerWaalsContact O-N 3.15Å; F500-L559 HydrophobicContact CD2-CD1 4.31Å; F500-L559 HydrophobicContact CE2-CB 4.38Å; F500-L559 HydrophobicContact CE2-CD1 3.84Å; Y557-L559 HydrophobicContact CD2-CD1 4.14Å; Y557-L559 HydrophobicContact CD2-CG 4.2Å; Y557-L559 HydrophobicContact CE2-CD1 4Å; L559-R561 PolarHBondContact O-N 2.92Å
560	V	42.7	Very low	43	Very low	114 Å²	114	101.4 Å²	101.4	69%	0.691	56%	0.555	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-82.8	100	171.7	-175.8	0	0	0	0	108.6	V558 G562	V558-V560 HydrophobicContact CG1-CG2 3.99Å; V560-G562 PolarHBondContact O-N 3.39Å
561	R	40.2	Very low	42.1	Very low	211 Å²	211	102.8 Å²	102.8	80%	0.796	57%	0.568	S	S	*	*			trans	-77.8	109.8	174.6	-163	169.1	-172.1	145.5	-0.3	109.4	L559	L559-R561 PolarHBondContact O-N 2.92Å
562	G	34.2	Very low	41.2	Very low	62 Å²	62	107.7 Å²	107.7	64%	0.639	60%	0.599	S	S	*	*			trans	-61.2	159.4	175.8	0	0	0	0	0	112.8	V560	V560-G562 PolarHBondContact O-N 3.39Å
563	S	39.6	Very low	40.5	Very low	124 Å²	124	114.9 Å²	114.9	87%	0.867	63%	0.634	S	S	*	*			trans	-62	158.2	-178.6	-163.8	0	0	0	0	112.8	A565	S563-A565 PolarHBondContact O-N 2.77Å
564	A	33.7	Very low	39.7	Very low	106 Å²	106	118.8 Å²	118.8	88%	0.876	66%	0.662	S	S	*	*	S	Bend	trans	-73.2	89.7	-166.4	0	0	0	0	0	114.2
565	A	37.4	Very low	38.7	Very low	80 Å²	80	121.7 Å²	121.7	66%	0.661	68%	0.678	S	S	*	*	S	Bend	trans	-152.1	138.5	152.8	0	0	0	0	0	110.4	S563	S563-A565 PolarHBondContact O-N 2.77Å
566	N	31	Very low	37.9	Very low	166 Å²	166	128 Å²	128	89%	0.888	71%	0.705	S	S	*	*			trans	57.4	66.4	165.8	-57.4	-15.6	0	0	0	118
567	C	32.9	Very low	36.9	Very low	132 Å²	132	130.9 Å²	130.9	89%	0.892	72%	0.724	S	S	*	*			trans	-89.8	95.3	160	-98	0	0	0	0	111.4
568	H	33.2	Very low	36.3	Very low	177 Å²	177	134.1 Å²	134.1	82%	0.819	74%	0.741	S	S	*	*			trans	-92.1	129.8	168.2	-128.2	-77.7	0	0	0	109.8	R570	H568-R570 VanDerWaalsContact C-N 3.3Å; H568-R570 PolarHBondContact O-N 3.24Å
569	P	36.3	Very low	35.6	Very low	122 Å²	122	134.8 Å²	134.8	79%	0.792	75%	0.745	S	S	*	*	S	Bend	trans	-83.9	57.2	-164.8	34.1	-38.6	0	0	0	114
570	R	31.4	Very low	35.1	Very low	224 Å²	224	134.2 Å²	134.2	85%	0.845	74%	0.736	S	S	*	*			trans	-148.3	91	175.3	-71.8	-169.6	177.8	162.4	0.2	113.4	H568	H568-R570 VanDerWaalsContact C-N 3.3Å; H568-R570 PolarHBondContact O-N 3.24Å
571	L	31.8	Very low	34.7	Very low	167 Å²	167	133.7 Å²	133.7	87%	0.874	74%	0.737	S	S	*	*			trans	-158.8	121.5	157.6	-106.1	147.8	0	0	0	108.8
572	P	35.5	Very low	34.5	Very low	108 Å²	108	127.3 Å²	127.3	70%	0.701	72%	0.718	S	S	*	*			trans	-81.2	139.3	-175.1	31.4	-34.2	0	0	0	112.2	S574	P572-S574 PolarHBondContact O-N 2.88Å
573	L	34	Very low	34.5	Very low	182 Å²	182	129.6 Å²	129.6	95%	0.953	72%	0.724	S	S	*	*			trans	-61.8	127.7	162	-91.9	79.5	0	0	0	108.8
574	S	31.9	Very low	34.3	Very low	86 Å²	86	129.3 Å²	129.3	60%	0.601	72%	0.717	S	S	*	*			trans	-143	147	175.3	56.2	0	0	0	0	111.2	P572	P572-S574 PolarHBondContact O-N 2.88Å
575	F	32	Very low	34.1	Very low	172 Å²	172	134.8 Å²	134.8	75%	0.754	72%	0.721	S	S	*	*			trans	63.3	94.9	173	-53.8	-74.6	0	0	0	118.7
576	F	37.8	Very low	33.9	Very low	177 Å²	177	134 Å²	134	78%	0.776	72%	0.721	S	S	*	*				-142	108.1	120.4	-96.4	-71.1	0	0	0	110.3
577	I	31.2	Very low	34.1	Very low	130 Å²	130	136.7 Å²	136.7	67%	0.667	72%	0.718	S	S	*	*			trans	-116.8	114	169.5	-57.7	172.9	0	0	0	106.5	L472	L472-I577 HydrophobicContact CD1-CG2 3.9Å
578	Q	41.6	Very low	34.1	Very low	99 Å²	99	136.3 Å²	136.3	46%	0.463	71%	0.714	S	S	.	*			trans	-144.5	149.2	169.2	-71.5	-152.8	-67.6	0	0	111.9	N524	N524-Q578 PolarHBondContact ND2-OE1 3.31Å
579	T	31.3	Very low	34.3	Very low	97 Å²	97	135.6 Å²	135.6	60%	0.595	72%	0.717	S	S	*	*			trans	-88.7	145.1	-164.5	-38.6	0	0	0	0	112.7	L472	L472-T579 HydrophobicContact CD2-CG2 4.01Å
580	W	36.6	Very low	34.1	Very low	82 Å²	82	138.8 Å²	138.8	31%	0.311	72%	0.721	S	S	.	*			trans	-82.3	136.6	171.5	-68.6	85.4	0	0	0	111.1	F475 I523 T553	F475-W580 AromaticContact CE2-CZ2 3.81Å; F475-W580 HydrophobicContact CE2-CZ2 3.81Å; F475-W580 HydrophobicContact CZ-CZ2 4.09Å; I523-W580 HydrophobicContact CG1-CZ3 4.46Å; T553-W580 HydrophobicContact CG2-CH2 4.46Å
581	C	34.2	Very low	34.1	Very low	104 Å²	104	136.8 Å²	136.8	70%	0.703	72%	0.723	S	S	*	*			trans	-125.9	118.1	170.1	-70.7	0	0	0	0	109.9
582	L	36.1	Very low	33.9	Very low	77 Å²	77	136.6 Å²	136.6	40%	0.403	72%	0.723	S	S	.	*			trans	-103.5	120.4	171.9	-168.5	77.3	0	0	0	108.4	L460 I462	L460-L582 HydrophobicContact CD2-CD2 4.06Å; I462-L582 HydrophobicContact CD1-CD2 4.43Å
583	S	34.2	Very low	33.7	Very low	109 Å²	109	139.1 Å²	139.1	76%	0.762	73%	0.729	S	S	*	*			trans	-105.4	115.7	-179.4	-176.7	0	0	0	0	110.9
584	T	36.8	Very low	33.4	Very low	118 Å²	118	133.7 Å²	133.7	72%	0.724	72%	0.717	S	S	*	*			trans	-95.3	140.4	163.2	47.4	0	0	0	0	109.1	G586	T584-G586 PolarHBondContact O-N 3.43Å
585	K	29.8	Very low	33.5	Very low	221 Å²	221	137.4 Å²	137.4	96%	0.961	73%	0.729	S	S	*	*	S	Bend	trans	-70.9	101.1	178.4	-79.9	-173.7	172.5	-176.4	0	110.5
586	G	33.2	Very low	33.6	Very low	63 Å²	63	134.4 Å²	134.4	65%	0.649	73%	0.725	S	S	*	*	S	Bend	trans	-176.9	101.7	172.6	0	0	0	0	0	113.9	T584	T584-G586 PolarHBondContact O-N 3.43Å
587	R	35.2	Very low	33.5	Very low	223 Å²	223	130.9 Å²	130.9	84%	0.842	73%	0.728	S	S	*	*			trans	64.7	126.4	179	-60.5	-176.9	178.2	172.2	-0.7	116.4
588	P	31.4	Very low	33.9	Very low	124 Å²	124	128.6 Å²	128.6	81%	0.805	72%	0.724	S	S	*	*			trans	-93.2	115.9	160.9	33.7	-24.8	0	0	0	109.9
589	D	37.9	Very low	33.9	Very low	162 Å²	162	131.5 Å²	131.5	87%	0.866	74%	0.738	S	S	*	*			trans	-144.3	147.6	160.3	-95.3	-50.7	0	0	0	109.3
590	Q	32	Very low	34.4	Very low	190 Å²	190	132.6 Å²	132.6	89%	0.888	74%	0.74	S	S	*	*			trans	-96.1	137.8	-167.4	-59	177.7	6	0	0	111.8
591	M	31.2	Very low	34.6	Very low	181 Å²	181	131.1 Å²	131.1	89%	0.892	75%	0.75	S	S	*	*			trans	-145.2	110.5	152.9	-152.5	171.5	-172.2	0	0	110.3
592	L	27.5	Very low	35	Very low	164 Å²	164	130.6 Å²	130.6	86%	0.859	74%	0.743	S	S	*	*			trans	-122.4	91.7	-175.5	-174.5	85.9	0	0	0	110.3
593	L	31.2	Very low	35.3	Very low	161 Å²	161	132.1 Å²	132.1	84%	0.843	75%	0.751	S	S	*	*			trans	-139.6	130.4	161.6	-74.6	95.8	0	0	0	108
594	G	28.7	Very low	35.7	Very low	67 Å²	67	130.4 Å²	130.4	69%	0.691	74%	0.735	S	S	*	*			cis	163.9	161.4	-7.8	0	0	0	0	0	110
595	L	32.9	Very low	35.9	Very low	165 Å²	165	130 Å²	130	86%	0.864	73%	0.728	S	S	*	*			trans	178	118.2	148.6	-99.4	161.7	0	0	0	111.9
596	T	34.4	Very low	36.4	Very low	109 Å²	109	125 Å²	125	67%	0.669	71%	0.711	S	S	*	*			trans	35.9	102	155.3	54.7	0	0	0	0	119.7	S598	T596-S598 VanDerWaalsContact C-N 3.31Å; T596-S598 PolarHBondContact O-N 2.84Å; T596-S598 VanDerWaalsContact O-N 3.08Å
597	A	35.9	Very low	36.7	Very low	102 Å²	102	127.4 Å²	127.4	84%	0.843	71%	0.708	S	S	*	*			trans	-83.4	56.1	173.6	0	0	0	0	0	114.2
598	S	39	Very low	36.8	Very low	83 Å²	83	126.3 Å²	126.3	58%	0.58	70%	0.704	S	S	*	*			trans	-110.5	157	166.6	58.7	0	0	0	0	110.6	T596 L600	T596-S598 VanDerWaalsContact C-N 3.31Å; T596-S598 PolarHBondContact O-N 2.84Å; T596-S598 VanDerWaalsContact O-N 3.08Å; S598-L600 PolarHBondContact O-N 3.12Å
599	Q	43.1	Very low	37.1	Very low	160 Å²	160	127.5 Å²	127.5	75%	0.748	69%	0.693	S	S	*	*	S	Bend	trans	64.9	-10.9	-174.9	-50.6	-58.2	-16.2	0	0	118.3	G601	Q599-G601 PolarHBondContact O-N 3.05Å; Q599-G601 VanDerWaalsContact O-N 3.15Å
600	L	41.8	Very low	37.3	Very low	120 Å²	120	126.1 Å²	126.1	63%	0.628	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	-10.8	-179.6	-97.8	162.6	0	0	0	115.9	S598	S598-L600 PolarHBondContact O-N 3.12Å
601	G	40.2	Very low	37.7	Very low	51 Å²	51	128 Å²	128	53%	0.526	68%	0.68	S	S	.	*	H	α-helix	trans	-67.7	-34.8	-179.1	0	0	0	0	0	114.6	Q599 I605	Q599-G601 PolarHBondContact O-N 3.05Å; Q599-G601 VanDerWaalsContact O-N 3.15Å; G601-I605 WeakPolarHBondContact O-CG1 3.47Å
602	T	43.4	Very low	38.4	Very low	92 Å²	92	122.1 Å²	122.1	56%	0.564	66%	0.66	S	S	*	*	H	α-helix	trans	-76.9	-34.5	-166.2	-35.4	0	0	0	0	113.2
603	I	40.9	Very low	39.1	Very low	110 Å²	110	121.3 Å²	121.3	56%	0.564	65%	0.646	S	S	*	*	H	α-helix	trans	-83.7	-31.9	-173	-63.2	174.7	0	0	0	111.8	I605 L606 L607	I603-I605 VanDerWaalsContact C-N 3.27Å; I603-I605 PolarHBondContact O-N 2.82Å; I603-L606 PolarHBondContact O-N 2.99Å; I603-L607 HydrophobicContact CG2-CD1 4.37Å; I603-L607 PolarHBondContact O-N 3.17Å
604	V	43.6	Very low	39.9	Very low	72 Å²	72	118.4 Å²	118.4	44%	0.436	63%	0.634	S	S	.	*	H	α-helix	trans	-66.1	-31.2	175.9	179.3	0	0	0	0	111.5	R608	V604-R608 HydrophobicContact CG1-CG 4.48Å; V604-R608 WeakPolarHBondContact O-CB 3.35Å; V604-R608 PolarHBondContact O-N 3.33Å
605	I	41.7	Very low	40.9	Very low	111 Å²	111	117.1 Å²	117.1	57%	0.569	62%	0.621	S	S	*	*	H	α-helix	trans	-65.8	-44.9	175.5	-67.6	171.5	0	0	0	110.8	G601 I603 R608 R609	G601-I605 WeakPolarHBondContact O-CG1 3.47Å; I603-I605 VanDerWaalsContact C-N 3.27Å; I603-I605 PolarHBondContact O-N 2.82Å; I605-R608 PolarHBondContact O-N 3.34Å; I605-R609 WeakPolarHBondContact O-CB 3.39Å; I605-R609 PolarHBondContact O-N 3.25Å
606	L	39.5	Very low	41.9	Very low	114 Å²	114	113.1 Å²	113.1	60%	0.597	60%	0.603	S	S	*	*	H	α-helix	trans	-62.9	-44.7	178.7	-73	166	0	0	0	112.3	I603 R609 H610	I603-L606 PolarHBondContact O-N 2.99Å; L606-R609 PolarHBondContact O-N 3.34Å; L606-H610 PolarHBondContact O-N 3.33Å
607	L	40	Very low	42.8	Very low	115 Å²	115	110.3 Å²	110.3	60%	0.602	59%	0.588	S	S	*	*	H	α-helix	trans	-75.6	-27.1	-178.9	-72.2	170.5	0	0	0	113.9	I603	I603-L607 HydrophobicContact CG2-CD1 4.37Å; I603-L607 PolarHBondContact O-N 3.17Å
608	R	35.9	Very low	43.8	Very low	199 Å²	199	114.5 Å²	114.5	75%	0.751	58%	0.582	S	S	*	*	H	α-helix	trans	-73.3	-37.3	167.4	-77.8	-175.1	169.6	-179.3	-2.8	112	V604 I605 H610 R611	V604-R608 HydrophobicContact CG1-CG 4.48Å; V604-R608 WeakPolarHBondContact O-CB 3.35Å; V604-R608 PolarHBondContact O-N 3.33Å; I605-R608 PolarHBondContact O-N 3.34Å; R608-H610 VanDerWaalsContact C-N 3.28Å; R608-H610 PolarHBondContact O-N 3.02Å; R608-R611 PolarHBondContact O-N 3.3Å
609	R	37.7	Very low	45	Very low	150 Å²	150	115.5 Å²	115.5	57%	0.566	58%	0.584	S	S	*	*	H	α-helix	trans	-61	-34.3	178.9	-170.1	167.3	-179.6	155.2	-3.4	112.2	I605 L606 R611 A612 W613	I605-R609 WeakPolarHBondContact O-CB 3.39Å; I605-R609 PolarHBondContact O-N 3.25Å; L606-R609 PolarHBondContact O-N 3.34Å; R609-R611 VanDerWaalsContact C-N 3.29Å; R609-R611 PolarHBondContact O-N 3.15Å; R609-A612 PolarHBondContact O-N 3.27Å; R609-A612 VanDerWaalsContact O-N 3.17Å; R609-W613 WeakPolarHBondContact O-CB 3.43Å; R609-W613 PolarHBondContact O-N 3.08Å
610	H	42.9	Very low	46.1	Very low	132 Å²	132	110 Å²	110	61%	0.611	57%	0.566	S	S	*	*	H	α-helix	trans	-63.5	-25.8	-178.9	-153.7	-50	0	0	0	114.7	L606 R608	L606-H610 PolarHBondContact O-N 3.33Å; R608-H610 VanDerWaalsContact C-N 3.28Å; R608-H610 PolarHBondContact O-N 3.02Å
611	R	41	Very low	47.3	Very low	230 Å²	230	106.6 Å²	106.6	87%	0.868	55%	0.552	S	S	*	*	H	α-helix	trans	-82.4	-29.7	175.5	-150.8	176.9	-160	179.1	5.8	112.7	R608 R609	R608-R611 PolarHBondContact O-N 3.3Å; R609-R611 VanDerWaalsContact C-N 3.29Å; R609-R611 PolarHBondContact O-N 3.15Å
612	A	44.7	Very low	49	Very low	58 Å²	58	108 Å²	108	48%	0.479	55%	0.553	S	S	.	*	H	α-helix	trans	-70.6	-44.9	168.2	0	0	0	0	0	110.9	R609 V614 G615 T616	R609-A612 PolarHBondContact O-N 3.27Å; R609-A612 VanDerWaalsContact O-N 3.17Å; A612-V614 VanDerWaalsContact C-N 3.3Å; A612-V614 PolarHBondContact O-N 2.85Å; A612-G615 CarbonylContact O-C 3.5Å; A612-G615 WeakPolarHBondContact O-CA 3.44Å; A612-G615 PolarHBondContact O-N 2.89Å; A612-T616 PolarHBondContact O-N 3.22Å; A612-T616 PolarHBondContact O-OG1 3.37Å; A612-T616 VanDerWaalsContact O-OG1 3.08Å
613	W	42.5	Very low	50.6	Low	147 Å²	147	105.9 Å²	105.9	56%	0.557	54%	0.542	S	S	*	.	H	α-helix	trans	-62	-28.2	-175	-118.4	52.5	0	0	0	114.3	R609 G615 T616 C617	R609-W613 WeakPolarHBondContact O-CB 3.43Å; R609-W613 PolarHBondContact O-N 3.08Å; W613-G615 VanDerWaalsContact C-N 3.31Å; W613-G615 PolarHBondContact O-N 2.96Å; W613-T616 PolarHBondContact O-N 2.94Å; W613-C617 WeakPolarHBondContact O-CA 3.48Å; W613-C617 WeakPolarHBondContact O-CB 3.2Å; W613-C617 PolarHBondContact O-N 3.42Å; W613-C617 PolarHBondContact O-SG 2.95Å
614	V	48.2	Very low	52.3	Low	99 Å²	99	104.8 Å²	104.8	60%	0.6	54%	0.541	S	S	*	.	H	α-helix	trans	-67.9	-33.3	171.7	176.2	0	0	0	0	111.5	A612 R618	A612-V614 VanDerWaalsContact C-N 3.3Å; A612-V614 PolarHBondContact O-N 2.85Å; V614-R618 WeakPolarHBondContact O-CB 3.35Å; V614-R618 PolarHBondContact O-N 2.76Å
615	G	50.8	Low	54.1	Low	41 Å²	41	106.7 Å²	106.7	42%	0.423	55%	0.547	S	S	.	.	H	α-helix	trans	-71.9	-51	169.6	0	0	0	0	0	112	A612 W613 C617 R618 V619	A612-G615 CarbonylContact O-C 3.5Å; A612-G615 WeakPolarHBondContact O-CA 3.44Å; A612-G615 PolarHBondContact O-N 2.89Å; W613-G615 VanDerWaalsContact C-N 3.31Å; W613-G615 PolarHBondContact O-N 2.96Å; G615-C617 PolarHBondContact O-N 3.34Å; G615-R618 PolarHBondContact O-N 3.04Å; G615-R618 VanDerWaalsContact O-N 3.12Å; G615-V619 WeakPolarHBondContact O-CG2 3.48Å; G615-V619 PolarHBondContact O-N 3.48Å
616	T	53.7	Low	55.9	Low	80 Å²	80	104.4 Å²	104.4	49%	0.491	54%	0.541	S	S	.	.	H	α-helix	trans	-63.7	-38	-178.2	-40.2	0	0	0	0	112.4	A612 W613 A620	A612-T616 PolarHBondContact O-N 3.22Å; A612-T616 PolarHBondContact O-OG1 3.37Å; A612-T616 VanDerWaalsContact O-OG1 3.08Å; W613-T616 PolarHBondContact O-N 2.94Å; T616-A620 WeakPolarHBondContact O-CB 3.11Å; T616-A620 PolarHBondContact O-N 3.12Å
617	C	53	Low	58	Low	51 Å²	51	105.7 Å²	105.7	35%	0.345	54%	0.542	S	S	.	.	H	α-helix	trans	-72.2	-29.5	174.1	-71.3	0	0	0	0	112.7	W613 G615 A620 S621	W613-C617 WeakPolarHBondContact O-CA 3.48Å; W613-C617 WeakPolarHBondContact O-CB 3.2Å; W613-C617 PolarHBondContact O-N 3.42Å; W613-C617 PolarHBondContact O-SG 2.95Å; G615-C617 PolarHBondContact O-N 3.34Å; C617-A620 PolarHBondContact O-N 2.84Å; C617-S621 VanDerWaalsContact O-CB 3.32Å; C617-S621 WeakPolarHBondContact O-CB 3.34Å; C617-S621 PolarHBondContact O-N 3.49Å; C617-S621 PolarHBondContact O-OG 3.29Å
618	R	57.4	Low	60	Low	190 Å²	190	103 Å²	103	72%	0.717	53%	0.533	S	S	*	.	H	α-helix	trans	-69.6	-43.1	173	-161.9	175.3	-162.1	174.2	5.4	111	V614 G615 S621 C622	V614-R618 WeakPolarHBondContact O-CB 3.35Å; V614-R618 PolarHBondContact O-N 2.76Å; G615-R618 PolarHBondContact O-N 3.04Å; G615-R618 VanDerWaalsContact O-N 3.12Å; R618-S621 WeakPolarHBondContact CA-OG 3.38Å; R618-S621 PolarHBondContact O-N 2.77Å; R618-S621 PolarHBondContact O-OG 3.31Å; R618-C622 WeakPolarHBondContact O-CB 3.48Å; R618-C622 PolarHBondContact O-N 3.37Å; R618-C622 PolarHBondContact O-SG 2.69Å
619	V	64.1	Low	62.4	Low	104 Å²	104	100 Å²	100	63%	0.63	53%	0.526	S	S	*	.	H	α-helix	trans	-62.5	-44.7	171.1	174.2	0	0	0	0	110.7	G615 C622 S623	G615-V619 WeakPolarHBondContact O-CG2 3.48Å; G615-V619 PolarHBondContact O-N 3.48Å; V619-C622 PolarHBondContact O-N 3.46Å; V619-S623 WeakPolarHBondContact O-CB 3.41Å; V619-S623 PolarHBondContact O-N 3.49Å; V619-S623 PolarHBondContact O-OG 3.04Å
620	A	66.2	Low	64.8	Low	43 Å²	43	97.3 Å²	97.3	36%	0.355	52%	0.522	S	S	.	.	H	α-helix	trans	-62.4	-46.3	177.1	0	0	0	0	0	111.5	T616 C617 C622 S623 T624	T616-A620 WeakPolarHBondContact O-CB 3.11Å; T616-A620 PolarHBondContact O-N 3.12Å; C617-A620 PolarHBondContact O-N 2.84Å; A620-C622 VanDerWaalsContact C-N 3.34Å; A620-C622 PolarHBondContact O-N 2.95Å; A620-S623 WeakPolarHBondContact CA-OG 3.5Å; A620-S623 CarbonylContact O-C 3.59Å; A620-S623 PolarHBondContact O-N 3.27Å; A620-S623 VanDerWaalsContact O-N 3.11Å; A620-S623 PolarHBondContact O-OG 3.27Å; A620-T624 PolarHBondContact O-N 3.33Å; A620-T624 PolarHBondContact O-OG1 2.9Å
621	S	66.8	Low	66.8	Low	50 Å²	50	96.2 Å²	96.2	35%	0.35	52%	0.518	S	S	.	.	H	α-helix	trans	-63.6	-37.9	176.7	60.6	0	0	0	0	112.6	C617 R618 S623 T624 I625	C617-S621 VanDerWaalsContact O-CB 3.32Å; C617-S621 WeakPolarHBondContact O-CB 3.34Å; C617-S621 PolarHBondContact O-N 3.49Å; C617-S621 PolarHBondContact O-OG 3.29Å; R618-S621 WeakPolarHBondContact CA-OG 3.38Å; R618-S621 PolarHBondContact O-N 2.77Å; R618-S621 PolarHBondContact O-OG 3.31Å; S621-S623 VanDerWaalsContact C-N 3.35Å; S621-T624 WeakPolarHBondContact CA-OG1 3.21Å; S621-T624 PolarHBondContact O-OG1 3.43Å; S621-I625 WeakPolarHBondContact O-CB 3.39Å; S621-I625 WeakPolarHBondContact O-CD1 3.32Å; S621-I625 WeakPolarHBondContact O-CG1 3.19Å; S621-I625 PolarHBondContact O-N 2.83Å
622	C	75.4	Confident	69.1	Low	80 Å²	80	90.4 Å²	90.4	54%	0.541	50%	0.503	S	S	.	.	H	α-helix	trans	-66.1	-38.6	172.9	-71.6	0	0	0	0	111.3	R618 V619 A620 S626	R618-C622 WeakPolarHBondContact O-CB 3.48Å; R618-C622 PolarHBondContact O-N 3.37Å; R618-C622 PolarHBondContact O-SG 2.69Å; V619-C622 PolarHBondContact O-N 3.46Å; A620-C622 VanDerWaalsContact C-N 3.34Å; A620-C622 PolarHBondContact O-N 2.95Å; C622-S626 WeakPolarHBondContact O-CB 3.44Å; C622-S626 PolarHBondContact O-N 3.48Å
623	S	76.2	Confident	71.1	Confident	48 Å²	48	90.3 Å²	90.3	34%	0.336	50%	0.499	S	S	.	.	H	α-helix	trans	-67.8	-41.6	175	72.4	0	0	0	0	112.8	V619 A620 S621 S626 F627	V619-S623 WeakPolarHBondContact O-CB 3.41Å; V619-S623 PolarHBondContact O-N 3.49Å; V619-S623 PolarHBondContact O-OG 3.04Å; A620-S623 WeakPolarHBondContact CA-OG 3.5Å; A620-S623 CarbonylContact O-C 3.59Å; A620-S623 PolarHBondContact O-N 3.27Å; A620-S623 VanDerWaalsContact O-N 3.11Å; A620-S623 PolarHBondContact O-OG 3.27Å; S621-S623 VanDerWaalsContact C-N 3.35Å; S623-S626 PolarHBondContact O-N 2.93Å; S623-F627 WeakPolarHBondContact O-CB 3.43Å; S623-F627 VanDerWaalsContact O-CD2 3.27Å; S623-F627 WeakPolarHBondContact O-CD2 3.39Å; S623-F627 PolarHBondContact O-N 2.78Å
624	T	77	Confident	73.2	Confident	87 Å²	87	87.3 Å²	87.3	53%	0.534	50%	0.496	S	S	.	.	H	α-helix	trans	-70.8	-36.6	178.6	53.8	0	0	0	0	111.9	A620 S621 F627 S628	A620-T624 PolarHBondContact O-N 3.33Å; A620-T624 PolarHBondContact O-OG1 2.9Å; S621-T624 WeakPolarHBondContact CA-OG1 3.21Å; S621-T624 PolarHBondContact O-OG1 3.43Å; T624-F627 PolarHBondContact O-N 3.23Å; T624-S628 WeakPolarHBondContact O-CB 3.27Å; T624-S628 PolarHBondContact O-N 2.8Å; T624-S628 PolarHBondContact O-OG 3.11Å; T624-S628 VanDerWaalsContact O-OG 3.06Å
625	I	80.7	Confident	75	Confident	111 Å²	111	87.5 Å²	87.5	57%	0.569	49%	0.493	S	S	*	.	H	α-helix	trans	-64	-42.5	170.6	-68.8	165.7	0	0	0	110.5	S621 S628 F629	S621-I625 WeakPolarHBondContact O-CB 3.39Å; S621-I625 WeakPolarHBondContact O-CD1 3.32Å; S621-I625 WeakPolarHBondContact O-CG1 3.19Å; S621-I625 PolarHBondContact O-N 2.83Å; I625-S628 WeakPolarHBondContact CA-OG 3.39Å; I625-S628 PolarHBondContact O-N 3.28Å; I625-S628 PolarHBondContact O-OG 3.48Å; I625-F629 VanDerWaalsContact O-CB 3.28Å; I625-F629 WeakPolarHBondContact O-CB 3.49Å; I625-F629 PolarHBondContact O-N 2.85Å
626	S	79.9	Confident	76.6	Confident	64 Å²	64	87.7 Å²	87.7	45%	0.448	49%	0.491	S	S	.	.	H	α-helix	trans	-66.2	-41.1	176.7	-175.4	0	0	0	0	112.4	C622 S623 F629 L630	C622-S626 WeakPolarHBondContact O-CB 3.44Å; C622-S626 PolarHBondContact O-N 3.48Å; S623-S626 PolarHBondContact O-N 2.93Å; S626-F629 PolarHBondContact O-N 3.48Å; S626-L630 WeakPolarHBondContact O-CB 3.33Å; S626-L630 VanDerWaalsContact O-CG 3.29Å; S626-L630 WeakPolarHBondContact O-CG 3.46Å; S626-L630 PolarHBondContact O-N 3.06Å
627	F	83.7	Confident	78.1	Confident	140 Å²	140	86.5 Å²	86.5	61%	0.614	49%	0.486	S	S	*	.	H	α-helix	trans	-68.9	-38.2	174.7	-89.2	-68.6	0	0	0	112.4	S623 T624 L630 M631	S623-F627 WeakPolarHBondContact O-CB 3.43Å; S623-F627 VanDerWaalsContact O-CD2 3.27Å; S623-F627 WeakPolarHBondContact O-CD2 3.39Å; S623-F627 PolarHBondContact O-N 2.78Å; T624-F627 PolarHBondContact O-N 3.23Å; F627-L630 PolarHBondContact O-N 2.77Å; F627-M631 WeakPolarHBondContact O-CB 3.38Å; F627-M631 WeakPolarHBondContact O-CG 3.34Å; F627-M631 PolarHBondContact O-N 2.87Å
628	S	81.6	Confident	79.5	Confident	59 Å²	59	86.8 Å²	86.8	41%	0.413	49%	0.492	S	S	.	.	H	α-helix	trans	-68.3	-38	174.2	61	0	0	0	0	111.8	T624 I625 M631 I632	T624-S628 WeakPolarHBondContact O-CB 3.27Å; T624-S628 PolarHBondContact O-N 2.8Å; T624-S628 PolarHBondContact O-OG 3.11Å; T624-S628 VanDerWaalsContact O-OG 3.06Å; I625-S628 WeakPolarHBondContact CA-OG 3.39Å; I625-S628 PolarHBondContact O-N 3.28Å; I625-S628 PolarHBondContact O-OG 3.48Å; S628-M631 PolarHBondContact O-N 2.99Å; S628-I632 WeakPolarHBondContact O-CB 3.36Å; S628-I632 WeakPolarHBondContact O-CD1 3.24Å; S628-I632 VanDerWaalsContact O-CG1 3.24Å; S628-I632 WeakPolarHBondContact O-CG1 3.28Å; S628-I632 PolarHBondContact O-N 2.98Å
629	F	87.5	Confident	80.7	Confident	137 Å²	137	85.4 Å²	85.4	60%	0.601	49%	0.488	S	S	*	.	H	α-helix	trans	-65.8	-44.5	174.6	-168.1	-95.2	0	0	0	111.1	I625 S626 M631 I632 C633	I625-F629 VanDerWaalsContact O-CB 3.28Å; I625-F629 WeakPolarHBondContact O-CB 3.49Å; I625-F629 PolarHBondContact O-N 2.85Å; S626-F629 PolarHBondContact O-N 3.48Å; F629-M631 PolarHBondContact O-N 2.91Å; F629-I632 PolarHBondContact O-N 3.41Å; F629-C633 PolarHBondContact O-N 3.46Å; F629-C633 PolarHBondContact O-SG 3.25Å
630	L	87	Confident	81.5	Confident	92 Å²	92	86.2 Å²	86.2	48%	0.482	49%	0.488	S	S	.	.	H	α-helix	trans	-60.8	-42.2	173.1	-76.3	169.2	0	0	0	112.4	S626 F627 I632 C633 V634	S626-L630 WeakPolarHBondContact O-CB 3.33Å; S626-L630 VanDerWaalsContact O-CG 3.29Å; S626-L630 WeakPolarHBondContact O-CG 3.46Å; S626-L630 PolarHBondContact O-N 3.06Å; F627-L630 PolarHBondContact O-N 2.77Å; L630-I632 PolarHBondContact O-N 2.88Å; L630-C633 PolarHBondContact O-N 3.46Å; L630-V634 WeakPolarHBondContact O-CB 3.5Å; L630-V634 WeakPolarHBondContact O-CG2 3.22Å; L630-V634 PolarHBondContact O-N 3.48Å
631	M	86.5	Confident	82.2	Confident	109 Å²	109	90.7 Å²	90.7	54%	0.537	50%	0.501	S	S	.	.	H	α-helix	trans	-62.8	-39.9	174.1	-79.3	-64.2	-60.5	0	0	112.3	F627 S628 F629 V634 I635	F627-M631 WeakPolarHBondContact O-CB 3.38Å; F627-M631 WeakPolarHBondContact O-CG 3.34Å; F627-M631 PolarHBondContact O-N 2.87Å; S628-M631 PolarHBondContact O-N 2.99Å; F629-M631 PolarHBondContact O-N 2.91Å; M631-V634 PolarHBondContact O-N 3.49Å; M631-I635 HydrophobicContact CE-CD1 4.37Å; M631-I635 WeakPolarHBondContact O-CB 3.39Å; M631-I635 WeakPolarHBondContact O-CD1 3.29Å; M631-I635 VanDerWaalsContact O-CG1 3.22Å; M631-I635 WeakPolarHBondContact O-CG1 3.46Å; M631-I635 PolarHBondContact O-N 2.83Å
632	I	88.2	Confident	82.7	Confident	108 Å²	108	89.4 Å²	89.4	55%	0.554	50%	0.496	S	S	*	.	H	α-helix	trans	-64.7	-41.6	174.1	-70.1	163	0	0	0	110.5	S628 F629 L630 I635 A636	S628-I632 WeakPolarHBondContact O-CB 3.36Å; S628-I632 WeakPolarHBondContact O-CD1 3.24Å; S628-I632 VanDerWaalsContact O-CG1 3.24Å; S628-I632 WeakPolarHBondContact O-CG1 3.28Å; S628-I632 PolarHBondContact O-N 2.98Å; F629-I632 PolarHBondContact O-N 3.41Å; L630-I632 PolarHBondContact O-N 2.88Å; I632-I635 PolarHBondContact O-N 2.86Å; I632-A636 VanDerWaalsContact O-CB 3.25Å; I632-A636 WeakPolarHBondContact O-CB 3.32Å; I632-A636 PolarHBondContact O-N 3.31Å
633	C	87	Confident	82.8	Confident	56 Å²	56	89.9 Å²	89.9	38%	0.378	49%	0.493	S	S	.	.	H	α-helix	trans	-62.6	-43	174.1	-68.7	0	0	0	0	112.4	F629 L630 A636 S637	F629-C633 PolarHBondContact O-N 3.46Å; F629-C633 PolarHBondContact O-SG 3.25Å; L630-C633 PolarHBondContact O-N 3.46Å; C633-A636 PolarHBondContact O-N 3.21Å; C633-S637 PolarHBondContact O-N 3.38Å; C633-S637 PolarHBondContact O-OG 3.08Å; C633-S637 VanDerWaalsContact O-OG 3.08Å
634	V	87.2	Confident	82.8	Confident	84 Å²	84	96.4 Å²	96.4	51%	0.509	51%	0.511	S	S	.	.	H	α-helix	trans	-65.8	-41.3	177.3	168.7	0	0	0	0	111.5	L630 M631 S637 A638	L630-V634 WeakPolarHBondContact O-CB 3.5Å; L630-V634 WeakPolarHBondContact O-CG2 3.22Å; L630-V634 PolarHBondContact O-N 3.48Å; M631-V634 PolarHBondContact O-N 3.49Å; V634-S637 WeakPolarHBondContact CA-OG 3.2Å; V634-S637 PolarHBondContact O-OG 2.89Å; V634-S637 VanDerWaalsContact O-OG 3.07Å; V634-A638 WeakPolarHBondContact O-CB 3.28Å; V634-A638 PolarHBondContact O-N 3.49Å
635	I	84.9	Confident	82.5	Confident	103 Å²	103	95.6 Å²	95.6	53%	0.528	51%	0.508	S	S	.	.	H	α-helix	trans	-66.3	-40.2	174.8	-69.3	164.6	0	0	0	110.5	M631 I632 A638 Y639	M631-I635 HydrophobicContact CE-CD1 4.37Å; M631-I635 WeakPolarHBondContact O-CB 3.39Å; M631-I635 WeakPolarHBondContact O-CD1 3.29Å; M631-I635 VanDerWaalsContact O-CG1 3.22Å; M631-I635 WeakPolarHBondContact O-CG1 3.46Å; M631-I635 PolarHBondContact O-N 2.83Å; I632-I635 PolarHBondContact O-N 2.86Å; I635-A638 PolarHBondContact O-N 2.85Å; I635-Y639 WeakPolarHBondContact O-CB 3.46Å; I635-Y639 PolarHBondContact O-N 2.94Å
636	A	85.3	Confident	82	Confident	46 Å²	46	94.6 Å²	94.6	38%	0.38	50%	0.503	S	S	.	.	H	α-helix	trans	-67.3	-41.7	177.2	0	0	0	0	0	112.4	I632 C633 Y639 L640	I632-A636 VanDerWaalsContact O-CB 3.25Å; I632-A636 WeakPolarHBondContact O-CB 3.32Å; I632-A636 PolarHBondContact O-N 3.31Å; C633-A636 PolarHBondContact O-N 3.21Å; A636-Y639 PolarHBondContact O-N 2.88Å; A636-L640 WeakPolarHBondContact O-CB 3.25Å; A636-L640 VanDerWaalsContact O-CG 3.28Å; A636-L640 WeakPolarHBondContact O-CG 3.44Å; A636-L640 PolarHBondContact O-N 3.45Å
637	S	85.4	Confident	81.5	Confident	54 Å²	54	96.5 Å²	96.5	38%	0.378	51%	0.505	S	S	.	.	H	α-helix	trans	-67.2	-42.4	174.2	55.4	0	0	0	0	111.5	C633 V634 Y639 L640 E641	C633-S637 PolarHBondContact O-N 3.38Å; C633-S637 PolarHBondContact O-OG 3.08Å; C633-S637 VanDerWaalsContact O-OG 3.08Å; V634-S637 WeakPolarHBondContact CA-OG 3.2Å; V634-S637 PolarHBondContact O-OG 2.89Å; V634-S637 VanDerWaalsContact O-OG 3.07Å; S637-Y639 VanDerWaalsContact C-N 3.29Å; S637-Y639 PolarHBondContact O-N 2.85Å; S637-L640 PolarHBondContact O-N 3.07Å; S637-E641 WeakPolarHBondContact O-CB 3.37Å; S637-E641 WeakPolarHBondContact O-CG 3.47Å; S637-E641 PolarHBondContact O-N 3.33Å
638	A	82.5	Confident	80.8	Confident	57 Å²	57	93.1 Å²	93.1	47%	0.471	50%	0.498	S	S	.	.	H	α-helix	trans	-63.9	-32.7	174.7	0	0	0	0	0	112.8	V634 I635 G642	V634-A638 WeakPolarHBondContact O-CB 3.28Å; V634-A638 PolarHBondContact O-N 3.49Å; I635-A638 PolarHBondContact O-N 2.85Å; A638-G642 WeakPolarHBondContact O-CA 3.38Å; A638-G642 PolarHBondContact O-N 3.22Å
639	Y	82.5	Confident	80	Confident	162 Å²	162	92.9 Å²	92.9	64%	0.635	50%	0.5	S	S	*	.	H	α-helix	trans	-69.1	-45.9	172.3	-165.5	-77.2	0	0	0	111.1	I635 A636 S637 G642 D643	I635-Y639 WeakPolarHBondContact O-CB 3.46Å; I635-Y639 PolarHBondContact O-N 2.94Å; A636-Y639 PolarHBondContact O-N 2.88Å; S637-Y639 VanDerWaalsContact C-N 3.29Å; S637-Y639 PolarHBondContact O-N 2.85Å; Y639-G642 PolarHBondContact O-N 3.38Å; Y639-D643 WeakPolarHBondContact O-CB 3.32Å; Y639-D643 PolarHBondContact O-N 2.88Å
640	L	81.2	Confident	78.9	Confident	121 Å²	121	93.2 Å²	93.2	63%	0.634	50%	0.501	S	S	*	.	H	α-helix	trans	-67.6	-36.8	179	-71.1	167.2	0	0	0	113.1	A636 S637 R644	A636-L640 WeakPolarHBondContact O-CB 3.25Å; A636-L640 VanDerWaalsContact O-CG 3.28Å; A636-L640 WeakPolarHBondContact O-CG 3.44Å; A636-L640 PolarHBondContact O-N 3.45Å; S637-L640 PolarHBondContact O-N 3.07Å; L640-R644 WeakPolarHBondContact O-CB 3.19Å; L640-R644 PolarHBondContact O-N 3.38Å
641	E	79.7	Confident	77.8	Confident	137 Å²	137	96.1 Å²	96.1	64%	0.64	51%	0.506	S	S	*	.	H	α-helix	trans	-71.6	-34.9	171.9	-70.7	179.2	146.7	0	0	111.2	S637 S645	S637-E641 WeakPolarHBondContact O-CB 3.37Å; S637-E641 WeakPolarHBondContact O-CG 3.47Å; S637-E641 PolarHBondContact O-N 3.33Å; E641-S645 VanDerWaalsContact O-CB 3.23Å; E641-S645 WeakPolarHBondContact O-CB 3.38Å; E641-S645 PolarHBondContact O-N 2.84Å; E641-S645 PolarHBondContact O-OG 2.8Å
642	G	77.2	Confident	76.6	Confident	23 Å²	23	97.2 Å²	97.2	24%	0.237	51%	0.509	C	S	.	.	H	α-helix	trans	-61.7	-54.3	171.7	0	0	0	0	0	111.9	A638 Y639 R644 S645 I646	A638-G642 WeakPolarHBondContact O-CA 3.38Å; A638-G642 PolarHBondContact O-N 3.22Å; Y639-G642 PolarHBondContact O-N 3.38Å; G642-R644 VanDerWaalsContact C-N 3.33Å; G642-R644 PolarHBondContact O-N 3.25Å; G642-S645 WeakPolarHBondContact O-CA 3.49Å; G642-S645 WeakPolarHBondContact O-CB 3.5Å; G642-S645 PolarHBondContact O-N 3.43Å; G642-S645 PolarHBondContact O-OG 2.84Å; G642-I646 VanDerWaalsContact O-CG1 3.3Å; G642-I646 WeakPolarHBondContact O-CG1 3.23Å; G642-I646 PolarHBondContact O-N 2.87Å
643	D	77.5	Confident	75	Confident	90 Å²	90	95.1 Å²	95.1	48%	0.481	51%	0.508	S	S	.	.	H	α-helix	trans	-59.4	-43.7	179.1	-145.9	25	0	0	0	110.8	Y639 S645 I646 E647	Y639-D643 WeakPolarHBondContact O-CB 3.32Å; Y639-D643 PolarHBondContact O-N 2.88Å; D643-S645 PolarHBondContact O-N 2.83Å; D643-I646 PolarHBondContact O-N 3.24Å; D643-E647 PolarHBondContact O-N 2.68Å
644	R	75.7	Confident	73.5	Confident	185 Å²	185	100.1 Å²	100.1	70%	0.698	53%	0.526	S	S	*	.	H	α-helix	trans	-65	-35.5	173.6	-171.8	175.1	-176.3	170.1	2.1	113.1	L640 G642 I646 C648	L640-R644 WeakPolarHBondContact O-CB 3.19Å; L640-R644 PolarHBondContact O-N 3.38Å; G642-R644 VanDerWaalsContact C-N 3.33Å; G642-R644 PolarHBondContact O-N 3.25Å; R644-I646 VanDerWaalsContact C-N 3.35Å; R644-C648 WeakPolarHBondContact O-CB 3.25Å; R644-C648 PolarHBondContact O-N 2.8Å; R644-C648 PolarHBondContact O-SG 3.43Å; R644-C648 VanDerWaalsContact O-SG 3.39Å
645	S	71.5	Confident	71.9	Confident	70 Å²	70	104.3 Å²	104.3	49%	0.49	54%	0.54	S	S	.	.	H	α-helix	trans	-69.5	-35.2	175.2	78.1	0	0	0	0	111.7	E641 G642 D643 A649	E641-S645 VanDerWaalsContact O-CB 3.23Å; E641-S645 WeakPolarHBondContact O-CB 3.38Å; E641-S645 PolarHBondContact O-N 2.84Å; E641-S645 PolarHBondContact O-OG 2.8Å; G642-S645 WeakPolarHBondContact O-CA 3.49Å; G642-S645 WeakPolarHBondContact O-CB 3.5Å; G642-S645 PolarHBondContact O-N 3.43Å; G642-S645 PolarHBondContact O-OG 2.84Å; D643-S645 PolarHBondContact O-N 2.83Å; S645-A649 VanDerWaalsContact O-CB 3.25Å; S645-A649 WeakPolarHBondContact O-CB 3.35Å; S645-A649 PolarHBondContact O-N 3.03Å
646	I	69.9	Low	70.1	Confident	89 Å²	89	106.5 Å²	106.5	46%	0.456	55%	0.548	S	S	.	.	H	α-helix	trans	-70.7	-45.3	176	-69.5	165	0	0	0	110.1	G642 D643 R644 C648 A649 F650	G642-I646 VanDerWaalsContact O-CG1 3.3Å; G642-I646 WeakPolarHBondContact O-CG1 3.23Å; G642-I646 PolarHBondContact O-N 2.87Å; D643-I646 PolarHBondContact O-N 3.24Å; R644-I646 VanDerWaalsContact C-N 3.35Å; I646-C648 PolarHBondContact O-N 3.41Å; I646-A649 PolarHBondContact O-N 2.97Å; I646-F650 HydrophobicContact CG2-CD2 3.68Å; I646-F650 HydrophobicContact CG2-CE2 3.73Å; I646-F650 WeakPolarHBondContact O-CD2 3.42Å; I646-F650 PolarHBondContact O-N 3Å
647	E	69.3	Low	68.1	Low	105 Å²	105	112.4 Å²	112.4	49%	0.491	57%	0.567	S	S	.	*	H	α-helix	trans	-63.9	-40.8	176.2	-158.5	-164.7	157	0	0	111.7	D643 F650 R651	D643-E647 PolarHBondContact O-N 2.68Å; E647-F650 PolarHBondContact O-N 2.91Å; E647-R651 WeakPolarHBondContact O-CG 3.3Å; E647-R651 PolarHBondContact O-N 3.05Å; E647-R651 IonicContact OE1-CZ 3.37Å; E647-R651 IonicContact OE1-NE 3.27Å; E647-R651 PolarHBondContact OE1-NE 3.46Å; E647-R651 IonicContact OE1-NH2 2.67Å; E647-R651 PolarHBondContact OE1-NH2 2.99Å
648	C	69.6	Low	65.7	Low	68 Å²	68	115.6 Å²	115.6	46%	0.459	59%	0.587	S	S	.	*	H	α-helix	trans	-63.7	-41.3	172.4	-77.1	0	0	0	0	112.4	R644 I646 R651 Q652	R644-C648 WeakPolarHBondContact O-CB 3.25Å; R644-C648 PolarHBondContact O-N 2.8Å; R644-C648 PolarHBondContact O-SG 3.43Å; R644-C648 VanDerWaalsContact O-SG 3.39Å; I646-C648 PolarHBondContact O-N 3.41Å; C648-R651 PolarHBondContact O-N 3.39Å; C648-Q652 WeakPolarHBondContact O-CB 3.4Å; C648-Q652 WeakPolarHBondContact O-CG 3.47Å; C648-Q652 PolarHBondContact O-N 3.22Å
649	A	65.1	Low	63.6	Low	55 Å²	55	118.9 Å²	118.9	46%	0.455	60%	0.601	S	S	.	*	H	α-helix	trans	-66.1	-39	176.7	0	0	0	0	0	112.3	S645 I646 Q652 A653	S645-A649 VanDerWaalsContact O-CB 3.25Å; S645-A649 WeakPolarHBondContact O-CB 3.35Å; S645-A649 PolarHBondContact O-N 3.03Å; I646-A649 PolarHBondContact O-N 2.97Å; A649-Q652 PolarHBondContact O-N 2.67Å; A649-A653 WeakPolarHBondContact O-CB 3.42Å; A649-A653 PolarHBondContact O-N 3.49Å
650	F	64.5	Low	61.5	Low	143 Å²	143	117.2 Å²	117.2	63%	0.627	61%	0.61	S	S	*	*	H	α-helix	trans	-63.7	-46.4	173.6	-91	-69.6	0	0	0	111.7	I646 E647 Q652 A653 E654	I646-F650 HydrophobicContact CG2-CD2 3.68Å; I646-F650 HydrophobicContact CG2-CE2 3.73Å; I646-F650 WeakPolarHBondContact O-CD2 3.42Å; I646-F650 PolarHBondContact O-N 3Å; E647-F650 PolarHBondContact O-N 2.91Å; F650-Q652 VanDerWaalsContact C-N 3.33Å; F650-Q652 PolarHBondContact O-N 3.27Å; F650-A653 PolarHBondContact O-N 2.94Å; F650-A653 VanDerWaalsContact O-N 3.14Å; F650-E654 VanDerWaalsContact O-CB 3.31Å; F650-E654 WeakPolarHBondContact O-CB 3.35Å; F650-E654 PolarHBondContact O-N 3.41Å
651	R	63.3	Low	59.3	Low	153 Å²	153	117.1 Å²	117.1	58%	0.577	61%	0.614	S	S	*	*	H	α-helix	trans	-61.8	-39.4	175.9	-68.6	-176.7	-168.7	-144.3	6.7	112.5	E647 C648 A653 E654 E655	E647-R651 WeakPolarHBondContact O-CG 3.3Å; E647-R651 PolarHBondContact O-N 3.05Å; E647-R651 IonicContact OE1-CZ 3.37Å; E647-R651 IonicContact OE1-NE 3.27Å; E647-R651 PolarHBondContact OE1-NE 3.46Å; E647-R651 IonicContact OE1-NH2 2.67Å; E647-R651 PolarHBondContact OE1-NH2 2.99Å; C648-R651 PolarHBondContact O-N 3.39Å; R651-A653 VanDerWaalsContact C-N 3.33Å; R651-A653 PolarHBondContact O-N 2.83Å; R651-E654 PolarHBondContact O-N 3.32Å; R651-E655 WeakPolarHBondContact O-CG 3.5Å; R651-E655 PolarHBondContact O-N 3.45Å
652	Q	61.4	Low	57	Low	132 Å²	132	117.8 Å²	117.8	62%	0.617	62%	0.621	S	S	*	*	H	α-helix	trans	-69.6	-26.4	175.5	-74	-175	-34.6	0	0	113.7	C648 A649 F650 Q656	C648-Q652 WeakPolarHBondContact O-CB 3.4Å; C648-Q652 WeakPolarHBondContact O-CG 3.47Å; C648-Q652 PolarHBondContact O-N 3.22Å; A649-Q652 PolarHBondContact O-N 2.67Å; F650-Q652 VanDerWaalsContact C-N 3.33Å; F650-Q652 PolarHBondContact O-N 3.27Å; Q652-Q656 WeakPolarHBondContact O-CG 3.31Å
653	A	54.5	Low	55.1	Low	64 Å²	64	122.7 Å²	122.7	53%	0.529	64%	0.642	S	S	.	*	H	α-helix	trans	-77.7	-36.4	170.7	0	0	0	0	0	112.1	A649 F650 R651 E655 Q656	A649-A653 WeakPolarHBondContact O-CB 3.42Å; A649-A653 PolarHBondContact O-N 3.49Å; F650-A653 PolarHBondContact O-N 2.94Å; F650-A653 VanDerWaalsContact O-N 3.14Å; R651-A653 VanDerWaalsContact C-N 3.33Å; R651-A653 PolarHBondContact O-N 2.83Å; A653-E655 VanDerWaalsContact C-N 3.34Å; A653-Q656 PolarHBondContact O-N 3.42Å
654	E	54.7	Low	53.2	Low	162 Å²	162	124.5 Å²	124.5	76%	0.757	66%	0.656	S	S	*	*	H	α-helix	trans	-71.5	-26.6	179.9	-165.1	165.1	-142	0	0	112.5	F650 R651 Q656	F650-E654 VanDerWaalsContact O-CB 3.31Å; F650-E654 WeakPolarHBondContact O-CB 3.35Å; F650-E654 PolarHBondContact O-N 3.41Å; R651-E654 PolarHBondContact O-N 3.32Å; E654-Q656 VanDerWaalsContact C-N 3.29Å; E654-Q656 PolarHBondContact O-N 2.84Å
655	E	53.7	Low	51.1	Low	171 Å²	171	122.2 Å²	122.2	80%	0.799	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.5	-9.5	170.8	-75.9	-175.9	155.7	0	0	114.6	R651 A653	R651-E655 WeakPolarHBondContact O-CG 3.5Å; R651-E655 PolarHBondContact O-N 3.45Å; A653-E655 VanDerWaalsContact C-N 3.34Å
656	Q	46.9	Very low	49.6	Very low	150 Å²	150	125.9 Å²	125.9	70%	0.701	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.7	-17.8	-168.8	-75.9	-167.5	-4.6	0	0	117.6	Q652 A653 E654	Q652-Q656 WeakPolarHBondContact O-CG 3.31Å; A653-Q656 PolarHBondContact O-N 3.42Å; E654-Q656 VanDerWaalsContact C-N 3.29Å; E654-Q656 PolarHBondContact O-N 2.84Å
657	H	43.3	Very low	47.9	Very low	169 Å²	169	125.1 Å²	125.1	78%	0.782	67%	0.674	S	S	*	*	S	Bend	trans	-142.5	131.8	176.9	-80.3	-50	0	0	0	115.1
658	P	36.3	Very low	46.5	Very low	121 Å²	121	128 Å²	128	79%	0.786	69%	0.687	S	S	*	*			trans	-86.5	155.7	-174	34.7	-36.6	0	0	0	115
659	V	38.4	Very low	45	Very low	127 Å²	127	131.5 Å²	131.5	77%	0.77	70%	0.697	S	S	*	*			trans	-80.2	144.7	-175.2	176.6	0	0	0	0	113.6	V661	V659-V661 HydrophobicContact CG1-CG2 4.2Å
660	P	37.6	Very low	43.7	Very low	127 Å²	127	136.7 Å²	136.7	83%	0.825	71%	0.709	S	S	*	*			trans	-129	139.5	140.5	32.6	-19	0	0	0	114.6
661	V	35.4	Very low	42.5	Very low	119 Å²	119	134.1 Å²	134.1	72%	0.721	72%	0.715	S	S	*	*			trans	-79.8	158.6	-166.6	170.2	0	0	0	0	115.1	V659	V659-V661 HydrophobicContact CG1-CG2 4.2Å
662	L	32	Very low	41.3	Very low	150 Å²	150	131.4 Å²	131.4	79%	0.785	72%	0.724	S	S	*	*			trans	74.5	158	164.7	-110.5	55.6	0	0	0	116.7
663	N	36.2	Very low	40.3	Very low	127 Å²	127	130.9 Å²	130.9	68%	0.679	73%	0.732	S	S	*	*			cis	-146.4	164.8	12.1	-159	0.1	0	0	0	113.6
664	V	37.5	Very low	39.3	Very low	128 Å²	128	137.1 Å²	137.1	78%	0.776	75%	0.748	S	S	*	*			trans	-116.1	116.7	176	176.3	0	0	0	0	109.9
665	N	32.8	Very low	38.4	Very low	136 Å²	136	135 Å²	135	73%	0.727	75%	0.746	S	S	*	*			trans	-169.9	139.7	165.1	-113.3	-18.9	0	0	0	114
666	L	39.2	Very low	37.6	Very low	147 Å²	147	132.9 Å²	132.9	77%	0.77	74%	0.74	S	S	*	*			trans	60.9	152.3	160.8	-77.7	78.1	0	0	0	119.4
667	S	33.8	Very low	37.1	Very low	74 Å²	74	131.9 Å²	131.9	52%	0.517	74%	0.739	S	S	.	*			cis	-167.1	159.1	-25	54.9	0	0	0	0	111.6
668	E	39.9	Very low	36.8	Very low	165 Å²	165	132 Å²	132	77%	0.771	74%	0.74	S	S	*	*			trans	62.1	150.2	147.4	-72.1	148.9	175.3	0	0	119.8
669	E	39.3	Very low	36.5	Very low	142 Å²	142	132.8 Å²	132.8	66%	0.664	74%	0.737	S	S	*	*			cis	-162.8	-170.2	-20.2	-119.8	-168.8	137.4	0	0	106.2
670	K	38.3	Very low	36.2	Very low	163 Å²	163	133.8 Å²	133.8	71%	0.709	74%	0.736	S	S	*	*			cis	-156.5	176.7	5.5	-134.7	165	176.8	70.8	0	105.4
671	A	38.6	Very low	36	Very low	90 Å²	90	131.8 Å²	131.8	74%	0.744	73%	0.731	S	S	*	*			cis	-155.5	168.4	0.3	0	0	0	0	0	108.9
672	A	38.1	Very low	35.9	Very low	95 Å²	95	131.6 Å²	131.6	79%	0.785	74%	0.735	S	S	*	*			trans	-156.6	161.2	165.7	0	0	0	0	0	111.5
673	P	39.4	Very low	36.1	Very low	121 Å²	121	133.2 Å²	133.2	79%	0.786	74%	0.735	S	S	*	*			trans	-126.7	145.3	141.7	8.3	14.3	0	0	0	111.3
674	K	34.8	Very low	36.3	Very low	196 Å²	196	134.2 Å²	134.2	85%	0.852	74%	0.739	S	S	*	*				75.5	139.6	50.6	-77.8	-164.3	174	-173.6	0	114.8
675	V	35	Very low	36.4	Very low	118 Å²	118	133.2 Å²	133.2	72%	0.715	74%	0.735	S	S	*	*			cis	-170.9	-176.7	-19.2	86.3	0	0	0	0	110.4
676	D	36.9	Very low	36.7	Very low	125 Å²	125	131.1 Å²	131.1	67%	0.668	73%	0.731	S	S	*	*			trans	88	119.8	157.2	-78.8	-19.4	0	0	0	125.3
677	N	36	Very low	36.6	Very low	130 Å²	130	132.7 Å²	132.7	70%	0.695	74%	0.735	S	S	*	*				88.8	136.9	123.3	-67.3	-25.5	0	0	0	127.4
678	E	38.1	Very low	36.6	Very low	171 Å²	171	133.4 Å²	133.4	80%	0.799	75%	0.745	S	S	*	*			trans	63.5	158.5	152.7	-70.9	-166.2	130.3	0	0	121.9
679	L	30.1	Very low	36.3	Very low	138 Å²	138	130.2 Å²	130.2	72%	0.723	74%	0.741	S	S	*	*			cis	-168.5	171	-35.1	-162.8	67.9	0	0	0	109.4
680	I	32.2	Very low	35.9	Very low	147 Å²	147	130.7 Å²	130.7	75%	0.754	75%	0.747	S	S	*	*			trans	78.2	91.3	159.6	-49.1	-172.3	0	0	0	120.6
681	A	31.9	Very low	35.5	Very low	85 Å²	85	130.4 Å²	130.4	70%	0.702	75%	0.752	S	S	*	*				70.9	136.9	120.1	0	0	0	0	0	126.4
682	S	33.5	Very low	35.2	Very low	115 Å²	115	129.7 Å²	129.7	80%	0.804	75%	0.754	S	S	*	*			trans	79.8	147.4	149.4	87.5	0	0	0	0	118.4
683	K	35.8	Very low	34.7	Very low	184 Å²	184	130.6 Å²	130.6	80%	0.8	75%	0.754	S	S	*	*			cis	-153.6	122.3	-4.4	-144.4	174.1	-178.9	177.2	0	112.2
684	I	41.2	Very low	34.5	Very low	149 Å²	149	128.9 Å²	128.9	76%	0.764	74%	0.743	S	S	*	*			trans	22.9	134.3	135.2	-49.4	167	0	0	0	118.4
685	P	40.9	Very low	34.2	Very low	106 Å²	106	128 Å²	128	69%	0.688	74%	0.739	S	S	*	*			cis	-108	-126.2	-13.1	26	-2.4	0	0	0	108.9
686	S	38.9	Very low	33.9	Very low	93 Å²	93	132.4 Å²	132.4	65%	0.65	74%	0.743	S	S	*	*			cis	-164.8	153.4	-8.6	22.5	0	0	0	0	107.5
687	E	36.6	Very low	33.6	Very low	179 Å²	179	134.8 Å²	134.8	84%	0.836	75%	0.75	S	S	*	*			cis	-157.6	-165.4	-13.6	-123.8	162.5	98.1	0	0	110.1
688	A	34	Very low	33.2	Very low	90 Å²	90	138.6 Å²	138.6	74%	0.744	76%	0.755	S	S	*	*			trans	-93.9	164.7	-176.4	0	0	0	0	0	112.9
689	S	32.3	Very low	32.8	Very low	98 Å²	98	136.9 Å²	136.9	69%	0.685	75%	0.751	S	S	*	*			cis	-150.7	136.1	23.3	50.9	0	0	0	0	111.8
690	L	30.9	Very low	33	Very low	151 Å²	151	138.4 Å²	138.4	79%	0.791	76%	0.759	S	S	*	*				57.4	129.4	101	-56.5	164.4	0	0	0	114.6
691	I	30.8	Very low	32.9	Very low	158 Å²	158	139.5 Å²	139.5	81%	0.81	77%	0.766	S	S	*	*			cis	-153.3	158	5.5	-99.6	150.7	0	0	0	108.5
692	G	31.2	Very low	32.8	Very low	75 Å²	75	139.5 Å²	139.5	77%	0.773	77%	0.766	S	S	*	*			trans	97.7	91.1	144.7	0	0	0	0	0	118.2
693	S	28	Very low	32.9	Very low	113 Å²	113	139.2 Å²	139.2	79%	0.79	76%	0.764	S	S	*	*			trans	-160	176.2	168.7	76.4	0	0	0	0	108.7
694	P	36.5	Very low	32.7	Very low	86 Å²	86	136.4 Å²	136.4	56%	0.558	77%	0.768	S	S	*	*			cis	-137.5	-160.1	-38.8	30.2	-8	0	0	0	111.2
695	K	28.5	Very low	32.5	Very low	176 Å²	176	132.5 Å²	132.5	77%	0.765	77%	0.765	S	S	*	*			trans	70.2	163.7	161.1	-59.9	154.4	-176.1	165.9	0	114.6
696	R	27.7	Very low	32.4	Very low	211 Å²	211	134.4 Å²	134.4	80%	0.796	77%	0.768	S	S	*	*			cis	-154.7	125	-20.8	-112.8	171.6	176.6	177.5	-2.4	102.9
697	Q	29.7	Very low	32.4	Very low	175 Å²	175	134.8 Å²	134.8	82%	0.818	77%	0.771	S	S	*	*				59.4	129.9	70.4	-162.8	177.6	14.2	0	0	114.6
698	R	28.8	Very low	32.6	Very low	211 Å²	211	134.4 Å²	134.4	80%	0.796	77%	0.769	S	S	*	*			trans	82.5	145	-176.3	-54.1	-165.4	-167.1	149.2	0.1	116.3
699	D	29.3	Very low	32.8	Very low	134 Å²	134	136.6 Å²	136.6	72%	0.717	77%	0.767	S	S	*	*			cis	-166.4	143.6	-23.7	-94.5	-29.5	0	0	0	106.3
700	L	34.8	Very low	33.3	Very low	171 Å²	171	138.4 Å²	138.4	90%	0.895	77%	0.769	S	S	*	*			trans	-175.2	116.3	153	-106.7	155.2	0	0	0	111.2
701	N	28.9	Very low	33.8	Very low	169 Å²	169	137.6 Å²	137.6	90%	0.904	77%	0.765	S	S	*	*			trans	-96.9	125.6	168.6	-76.3	-41.5	0	0	0	109.5
702	A	31.3	Very low	34.3	Very low	85 Å²	85	136.9 Å²	136.9	70%	0.702	76%	0.763	S	S	*	*			trans	-154.6	134.6	165.1	0	0	0	0	0	110.8
703	S	35	Very low	34.7	Very low	109 Å²	109	137.2 Å²	137.2	76%	0.762	76%	0.758	S	S	*	*			trans	45.8	113	171	50.5	0	0	0	0	117.6
704	S	32.3	Very low	35.2	Very low	126 Å²	126	139.1 Å²	139.1	88%	0.881	76%	0.758	S	S	*	*			cis	51.8	107.4	46.3	85.7	0	0	0	0	114.3
705	G	36.2	Very low	35.1	Very low	67 Å²	67	144 Å²	144	69%	0.691	77%	0.771	S	S	*	*			trans	173	-45.8	175.2	0	0	0	0	0	117.5
706	L	38.4	Very low	35.3	Very low	145 Å²	145	143 Å²	143	76%	0.759	77%	0.774	S	S	*	*	S	Bend	trans	-112.8	-12.7	-161.1	-80.3	162.6	0	0	0	117.4	Q708	L706-Q708 VanDerWaalsContact C-N 3.35Å; L706-Q708 PolarHBondContact O-N 3.23Å
707	S	39.1	Very low	35.7	Very low	101 Å²	101	139.1 Å²	139.1	71%	0.706	77%	0.773	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	-7.9	-172.9	52.8	0	0	0	0	115.8
708	Q	40	Very low	35.9	Very low	172 Å²	172	138.3 Å²	138.3	80%	0.804	77%	0.774	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.5	-12.4	-178	-75.9	-177.7	-32.7	0	0	114.8	L706	L706-Q708 VanDerWaalsContact C-N 3.35Å; L706-Q708 PolarHBondContact O-N 3.23Å
709	L	39.4	Very low	36.1	Very low	136 Å²	136	136.8 Å²	136.8	71%	0.712	78%	0.78	S	S	*	*	S	Bend	trans	-88.8	-22.5	-175.8	-79.1	165.5	0	0	0	114.9
710	L	42.8	Very low	36.3	Very low	136 Å²	136	135.5 Å²	135.5	71%	0.712	78%	0.782	S	S	*	*	S	Bend	trans	-83.5	-21.1	-175.1	-90.2	159	0	0	0	115
711	N	40	Very low	36.3	Very low	134 Å²	134	133.3 Å²	133.3	72%	0.717	78%	0.778	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.5	-14.6	-174.5	-75.3	-33.5	0	0	0	114.8
712	N	41.6	Very low	36.4	Very low	143 Å²	143	132 Å²	132	77%	0.765	78%	0.78	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.7	-6.7	-178.4	-77	-11.8	0	0	0	114.3
713	A	40.5	Very low	36.4	Very low	81 Å²	81	132.6 Å²	132.6	67%	0.669	79%	0.785	S	S	*	*	S	Bend	trans	-87.4	-9.7	-170.5	0	0	0	0	0	115.5
714	I	37.8	Very low	36.3	Very low	154 Å²	154	137.6 Å²	137.6	79%	0.79	79%	0.793	S	S	*	*	S	Bend	trans	-107.2	-0.2	-165.4	-64.1	176.9	0	0	0	113.1
715	F	35.3	Very low	36.1	Very low	189 Å²	189	141.4 Å²	141.4	83%	0.829	79%	0.794	S	S	*	*	S	Bend	trans	-102.9	-1.5	-164.4	-136.9	-92.9	0	0	0	117.2
716	N	32.8	Very low	35.8	Very low	155 Å²	155	141.9 Å²	141.9	83%	0.829	80%	0.799	S	S	*	*	S	Bend	trans	-132.7	33.8	-163.6	-93.6	-29.4	0	0	0	116.1
717	V	35	Very low	35.3	Very low	128 Å²	128	141.4 Å²	141.4	78%	0.776	80%	0.802	S	S	*	*	S	Bend	trans	-129.8	125	179.1	179.1	0	0	0	0	112.1
718	L	34.5	Very low	35	Very low	159 Å²	159	141.2 Å²	141.2	83%	0.832	81%	0.807	S	S	*	*			trans	69.6	67.4	168.3	-65.8	166.7	0	0	0	118.7
719	L	34	Very low	34.4	Very low	179 Å²	179	138 Å²	138	94%	0.937	81%	0.81	S	S	*	*			trans	-83.8	115.2	144.6	-86.7	166.6	0	0	0	110.5
720	S	33.2	Very low	33.9	Very low	107 Å²	107	141.1 Å²	141.1	75%	0.748	82%	0.821	S	S	*	*			trans	179.9	136.8	145.4	52	0	0	0	0	111.9
721	P	34.7	Very low	33.1	Very low	125 Å²	125	142.7 Å²	142.7	81%	0.812	82%	0.822	S	S	*	*			trans	-100	155	178.8	37.6	-33.2	0	0	0	113.6
722	C	31.2	Very low	32.6	Very low	141 Å²	141	140.9 Å²	140.9	95%	0.953	83%	0.825	S	S	*	*			trans	-142.2	145.5	157.6	-100.8	0	0	0	0	110.8
723	A	29.5	Very low	31.9	Very low	98 Å²	98	140.2 Å²	140.2	81%	0.81	82%	0.818	S	S	*	*			trans	-111.1	161	-168.8	0	0	0	0	0	112.7
724	K	33	Very low	31.2	Very low	214 Å²	214	145.4 Å²	145.4	93%	0.93	82%	0.821	S	S	*	*			trans	-143.1	145.1	153.6	-108.8	167.6	-175.2	176.2	0	110.3
725	K	28.2	Very low	30.8	Very low	205 Å²	205	145.9 Å²	145.9	89%	0.891	82%	0.82	S	S	*	*			trans	-87.4	155.8	-175.9	-62.2	175.4	179.1	176.8	0	111
726	G	31.2	Very low	30.2	Very low	77 Å²	77	142.2 Å²	142.2	79%	0.794	82%	0.818	S	S	*	*			trans	-161.6	120.1	163.3	0	0	0	0	0	109.3
727	T	28.1	Very low	30	Very low	135 Å²	135	141 Å²	141	83%	0.828	82%	0.816	S	S	*	*			trans	-138.3	116	-167.1	47.9	0	0	0	0	112.9
728	A	31.1	Very low	29.5	Very low	97 Å²	97	139.9 Å²	139.9	80%	0.802	82%	0.82	S	S	*	*			trans	-161	126.3	154.9	0	0	0	0	0	105.7
729	A	27.4	Very low	29.1	Very low	105 Å²	105	137.8 Å²	137.8	87%	0.868	82%	0.818	S	S	*	*			cis	73.2	83	13	0	0	0	0	0	115.2
730	E	29.6	Very low	28.7	Very low	201 Å²	201	134.5 Å²	134.5	94%	0.939	81%	0.81	S	S	*	*			trans	-131	154.7	158.8	-172.6	163.4	-163	0	0	109.1
731	K	26	Very low	28.6	Very low	169 Å²	169	135 Å²	135	74%	0.735	81%	0.814	S	S	*	*			trans	-143.4	120.1	-160.8	-158.6	-168.7	-178.7	-121.8	0	110.6	E733	K731-E733 IonicContact NZ-OE2 3.25Å; K731-E733 PolarHBondContact NZ-OE2 3.48Å
732	A	29.6	Very low	28.4	Very low	96 Å²	96	136 Å²	136	79%	0.793	81%	0.813	S	S	*	*			trans	-156.2	120.5	161.6	0	0	0	0	0	105.6
733	E	26.3	Very low	28.4	Very low	129 Å²	129	137.4 Å²	137.4	60%	0.603	81%	0.811	S	S	*	*			cis	76.2	136.8	19.8	-133.7	177	151.8	0	0	115.3	K731	K731-E733 IonicContact NZ-OE2 3.25Å; K731-E733 PolarHBondContact NZ-OE2 3.48Å
734	Y	26.8	Very low	28.2	Very low	190 Å²	190	137.8 Å²	137.8	75%	0.745	81%	0.806	S	S	*	*			trans	78.9	115.7	175.3	-93.7	-93.9	0	0	0	122.4
735	E	28.5	Very low	28	Very low	165 Å²	165	135.8 Å²	135.8	77%	0.771	80%	0.804	S	S	*	*			trans	98.3	139.1	130.8	-136.7	141.8	-114.3	0	0	121.9
736	S	23.7	Very low	28.3	Very low	111 Å²	111	131.5 Å²	131.5	78%	0.776	80%	0.797	S	S	*	*			trans	-105.7	123.5	-179	55.3	0	0	0	0	110.6
737	V	28.3	Very low	28.1	Very low	131 Å²	131	132.8 Å²	132.8	79%	0.794	80%	0.8	S	S	*	*			trans	-124.3	128.4	166.9	-179.8	0	0	0	0	108.9
738	A	23.8	Very low	28.2	Very low	104 Å²	104	131.1 Å²	131.1	86%	0.86	80%	0.8	S	S	*	*			trans	-94	127.5	168.3	0	0	0	0	0	109.1
739	S	27.5	Very low	28	Very low	114 Å²	114	131.9 Å²	131.9	80%	0.797	80%	0.8	S	S	*	*			trans	-140.3	147.9	165.4	60.1	0	0	0	0	110.9
740	S	25.8	Very low	28.2	Very low	110 Å²	110	134 Å²	134	77%	0.769	80%	0.802	S	S	*	*			trans	-80.9	145.4	175.4	48.5	0	0	0	0	111.5
741	S	31.2	Very low	28	Very low	118 Å²	118	129 Å²	129	83%	0.825	79%	0.789	S	S	*	*			trans	-139.7	102.9	153.9	60.5	0	0	0	0	108.5
742	D	28.9	Very low	28.3	Very low	147 Å²	147	125.8 Å²	125.8	79%	0.786	79%	0.787	S	S	*	*			trans	-66.3	149.1	159.1	-65.2	-72.9	0	0	0	109
743	D	31.1	Very low	28.5	Very low	169 Å²	169	128 Å²	128	90%	0.904	79%	0.786	S	S	*	*			trans	-153	146.5	150.1	-130.2	-29.4	0	0	0	111
744	C	25.6	Very low	28.7	Very low	106 Å²	106	129.4 Å²	129.4	72%	0.716	79%	0.793	S	S	*	*			trans	-117.7	145.3	-160.1	-76.9	0	0	0	0	113.9
745	I	30.1	Very low	28.8	Very low	172 Å²	172	128.8 Å²	128.8	88%	0.882	80%	0.796	S	S	*	*			trans	-133.9	122.8	152.2	-57.1	-177	0	0	0	108.5
746	P	32.9	Very low	29	Very low	115 Å²	115	125.7 Å²	125.7	75%	0.747	80%	0.799	S	S	*	*			trans	-109.2	-166.6	-170.4	42.6	-37.7	0	0	0	114.4
747	A	28.1	Very low	29.5	Very low	104 Å²	104	126.2 Å²	126.2	86%	0.86	80%	0.8	S	S	*	*			trans	82	148.2	171.7	0	0	0	0	0	116.8
748	A	31	Very low	29.5	Very low	100 Å²	100	128.5 Å²	128.5	83%	0.826	80%	0.802	S	S	*	*			cis	-132.6	149.8	4.3	0	0	0	0	0	113.2
749	S	25.9	Very low	29.8	Very low	114 Å²	114	133.7 Å²	133.7	80%	0.797	81%	0.805	S	S	*	*			trans	-138.5	134.8	168.3	56.2	0	0	0	0	108.8
750	V	31.2	Very low	29.9	Very low	150 Å²	150	134.1 Å²	134.1	91%	0.909	80%	0.803	S	S	*	*			trans	-117.8	138.2	171.7	-179.8	0	0	0	0	108
751	S	26.9	Very low	30.2	Very low	96 Å²	96	135.6 Å²	135.6	67%	0.671	81%	0.807	S	S	*	*			trans	-144.5	162.1	-172.5	56.9	0	0	0	0	110.6
752	S	31.8	Very low	30.2	Very low	100 Å²	100	133.6 Å²	133.6	70%	0.699	80%	0.798	S	S	*	*			trans	74.1	146	164.3	-63.4	0	0	0	0	116.3
753	D	33	Very low	30.2	Very low	143 Å²	143	132.3 Å²	132.3	77%	0.765	80%	0.8	S	S	*	*			cis	-147.4	-145.4	-16.6	-122.2	-73.7	0	0	0	108.5
754	E	30.2	Very low	30.3	Very low	159 Å²	159	129.6 Å²	129.6	74%	0.743	79%	0.79	S	S	*	*			cis	-152.6	-124.6	9.1	-152.5	-121.6	77.9	0	0	110.7
755	H	30.4	Very low	30.6	Very low	176 Å²	176	131.4 Å²	131.4	82%	0.815	79%	0.793	S	S	*	*			trans	-142.6	130.7	-177.2	-114.3	48	0	0	0	113.5
756	A	31.3	Very low	30.7	Very low	101 Å²	101	135.2 Å²	135.2	84%	0.835	80%	0.796	S	S	*	*			trans	-163	146.9	157.8	0	0	0	0	0	111.6
757	P	34.4	Very low	30.5	Very low	122 Å²	122	139 Å²	139	79%	0.792	80%	0.801	S	S	*	*			trans	-106.7	155.1	-172.3	39.3	-34.7	0	0	0	116.5
758	E	28.5	Very low	30.6	Very low	179 Å²	179	139.3 Å²	139.3	84%	0.836	80%	0.797	S	S	*	*			trans	32.5	115.1	142.9	-168.7	169.9	-137.8	0	0	120.7
759	K	31	Very low	30.7	Very low	213 Å²	213	141.1 Å²	141.1	93%	0.926	80%	0.797	S	S	*	*			trans	-154.9	151.4	140.4	-124.2	168.8	-172.8	173.4	0	114.1
760	T	28.7	Very low	30.7	Very low	123 Å²	123	143 Å²	143	76%	0.755	79%	0.794	S	S	*	*			trans	-105.5	124.4	-165.8	-47.3	0	0	0	0	113.1
761	T	32.8	Very low	30.7	Very low	140 Å²	140	145.5 Å²	145.5	86%	0.859	79%	0.792	S	S	*	*			trans	-176.5	151.9	149.9	31.4	0	0	0	0	108.3
762	A	29.8	Very low	30.7	Very low	77 Å²	77	151 Å²	151	64%	0.636	80%	0.798	S	S	*	*			cis	154.2	128.5	-21.3	0	0	0	0	0	106.1
763	S	29.9	Very low	30.6	Very low	119 Å²	119	151.3 Å²	151.3	83%	0.832	80%	0.801	S	S	*	*			trans	66.8	160.4	176.4	85.9	0	0	0	0	116
764	T	33.4	Very low	30.3	Very low	113 Å²	113	153.9 Å²	153.9	69%	0.693	81%	0.805	S	S	*	*			cis	-141.9	150.7	2.3	-46.1	0	0	0	0	112.4
765	N	30.5	Very low	30.2	Very low	144 Å²	144	152.1 Å²	152.1	77%	0.77	81%	0.805	S	S	*	*			trans	-8.4	142.2	164.6	-65.1	-60.8	0	0	0	121
766	R	34.1	Very low	29.9	Very low	252 Å²	252	151 Å²	151	95%	0.951	80%	0.804	S	S	*	*				-151.7	159.2	112.7	-111.3	165.9	-172.1	179.3	2.2	113.5
767	K	28.6	Very low	29.8	Very low	195 Å²	195	152.3 Å²	152.3	85%	0.848	80%	0.8	S	S	*	*			trans	-86.8	174	-156	-60.8	175.6	175.6	179.1	0	114.5
768	S	29.2	Very low	29.4	Very low	110 Å²	110	153.5 Å²	153.5	77%	0.769	79%	0.793	S	S	*	*			trans	94.9	137.8	159.5	82.1	0	0	0	0	116.1
769	T	32.5	Very low	29.3	Very low	137 Å²	137	153.7 Å²	153.7	84%	0.84	79%	0.794	S	S	*	*			cis	-150.9	147.7	-7.9	-5.3	0	0	0	0	110.7
770	E	27.4	Very low	29.1	Very low	155 Å²	155	150.7 Å²	150.7	72%	0.724	78%	0.784	S	S	*	*			trans	-78.7	136.9	176.7	-173.9	-177.4	168.5	0	0	111.5	R772	E770-R772 HydrophobicContact CG-CB 4.49Å; E770-R772 WeakPolarHBondContact OE1-CD 3.5Å
771	K	29.6	Very low	29	Very low	201 Å²	201	151.3 Å²	151.3	87%	0.874	79%	0.787	S	S	*	*			trans	-140.6	103	165.1	-142.4	173.5	-170.4	178.1	0	110.7
772	R	27	Very low	28.7	Very low	211 Å²	211	153.7 Å²	153.7	80%	0.796	79%	0.788	S	S	*	*			trans	-101.4	90.9	-165.4	-173.9	175.1	179.5	179	0.5	111.9	E770 K774	E770-R772 HydrophobicContact CG-CB 4.49Å; E770-R772 WeakPolarHBondContact OE1-CD 3.5Å; R772-K774 PolarHBondContact O-N 3.03Å; R772-K774 VanDerWaalsContact O-N 3.15Å
773	S	30.9	Very low	28.4	Very low	108 Å²	108	154.2 Å²	154.2	76%	0.755	79%	0.793	S	S	*	*			trans	-72	100.9	178.5	-42.2	0	0	0	0	111.7	V775	S773-V775 PolarHBondContact O-N 3.14Å
774	K	25.1	Very low	28.3	Very low	196 Å²	196	155.3 Å²	155.3	85%	0.852	79%	0.794	S	S	*	*			trans	-68.2	126.5	157.1	-81.3	-174.6	175.3	-177.9	0	108.2	R772	R772-K774 PolarHBondContact O-N 3.03Å; R772-K774 VanDerWaalsContact O-N 3.15Å
775	V	28.5	Very low	27.7	Very low	123 Å²	123	155.2 Å²	155.2	75%	0.745	80%	0.797	S	S	*	*			trans	-114.2	119.6	160.2	179.8	0	0	0	0	107	S773 V777	S773-V775 PolarHBondContact O-N 3.14Å; V775-V777 HydrophobicContact CG1-CG2 4.27Å
776	I	24.9	Very low	27.4	Very low	153 Å²	153	156.2 Å²	156.2	79%	0.785	80%	0.801	S	S	*	*			trans	-87.2	126.5	172.5	-60.1	169.5	0	0	0	106.3
777	V	28.8	Very low	27.2	Very low	127 Å²	127	156 Å²	156	77%	0.77	82%	0.818	S	S	*	*			trans	-114.8	126.5	165.8	-177.3	0	0	0	0	106.2	V775	V775-V777 HydrophobicContact CG1-CG2 4.27Å
778	K	26.3	Very low	27.1	Very low	148 Å²	148	154.1 Å²	154.1	64%	0.643	82%	0.817	S	S	*	*			trans	-61.5	141.5	176	-81.5	176.4	150.9	-162	0	110.4	E780	K778-E780 IonicContact NZ-OE1 3.63Å; K778-E780 PolarHBondContact NZ-OE1 3.42Å; K778-E780 IonicContact NZ-OE2 3.97Å
779	E	25.4	Very low	27	Very low	182 Å²	182	156.4 Å²	156.4	85%	0.85	82%	0.819	S	S	*	*			trans	-70.9	129.3	143.2	-67.1	173.5	116.2	0	0	107.4
780	E	27.1	Very low	26.7	Very low	151 Å²	151	157.5 Å²	157.5	71%	0.706	82%	0.818	S	S	*	*			trans	-130.8	97.9	166.8	-149	136	-112	0	0	106	K778	K778-E780 IonicContact NZ-OE1 3.63Å; K778-E780 PolarHBondContact NZ-OE1 3.42Å; K778-E780 IonicContact NZ-OE2 3.97Å
781	V	26.1	Very low	26.6	Very low	135 Å²	135	157.6 Å²	157.6	82%	0.818	82%	0.823	S	S	*	*			trans	-87	108.3	-177.6	174.6	0	0	0	0	107.8
782	E	27.1	Very low	26.5	Very low	191 Å²	191	154.9 Å²	154.9	89%	0.893	82%	0.82	S	S	*	*			trans	-143.3	122.1	162.6	-136.1	163.5	-138.1	0	0	110.8
783	A	24.3	Very low	26.4	Very low	88 Å²	88	151.2 Å²	151.2	73%	0.727	82%	0.822	S	S	*	*			trans	-97.3	138.6	169.4	0	0	0	0	0	108.5
784	T	26.5	Very low	26.1	Very low	142 Å²	142	154.3 Å²	154.3	87%	0.871	83%	0.827	S	S	*	*			trans	-162.3	151.3	147.4	-79.3	0	0	0	0	108.4
785	C	20.9	Very low	26.2	Very low	110 Å²	110	151.1 Å²	151.1	74%	0.743	83%	0.825	S	S	*	*			trans	-74	150.4	-179.6	-57.8	0	0	0	0	111.7
786	L	25.1	Very low	26	Very low	165 Å²	165	153.4 Å²	153.4	86%	0.864	83%	0.831	S	S	*	*				178.8	140	113.5	-93.7	160.7	0	0	0	111.5
787	L	29.3	Very low	26.1	Very low	249 Å²	249	153.5 Å²	153.5	100%	1.304	84%	0.835	S	S	*	*			trans	65.5	0	177.7	-61.4	171.5	0	0	0	116.3

Retrieved 787 of 787 residues in 244.7 ms (Link to these results)

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