A0A5K4F4W7_SCHMA Loading...

Threonylcarbamoyl-AMP synthase AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F4W7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 244 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.5	Very low	33.8	Very low	231 Å²	231	132.8 Å²	132.8	100%	1.138	71%	0.714	S	S	*	*				0	114.2	0	-73.9	-158.4	171	0	0	109.7
2	P	35.1	Very low	34.6	Very low	126 Å²	126	133.9 Å²	133.9	82%	0.818	71%	0.708	S	S	*	*			trans	-142.5	89.9	141.6	33.7	-15.7	0	0	0	110.9
3	S	40.4	Very low	35.1	Very low	84 Å²	84	128.5 Å²	128.5	59%	0.587	67%	0.673	S	S	*	*			trans	-125.5	-0	-177.1	54.8	0	0	0	0	115
4	K	34.5	Very low	35.7	Very low	188 Å²	188	122.7 Å²	122.7	82%	0.817	65%	0.647	S	S	*	*	S	Bend	trans	-103.7	-12.2	-178.4	-71	-171.2	174.9	-176	0	115.6
5	L	33.4	Very low	36.2	Very low	144 Å²	144	122.2 Å²	122.2	75%	0.754	65%	0.651	S	S	*	*	S	Bend	trans	-85.6	-35.4	178	-119.9	76.9	0	0	0	113.6	H7 L8	L5-H7 VanDerWaalsContact C-N 3.27Å; L5-H7 PolarHBondContact O-N 3.31Å; L5-L8 PolarHBondContact O-N 2.77Å
6	C	32.7	Very low	36.7	Very low	87 Å²	87	120.4 Å²	120.4	59%	0.588	64%	0.64	S	S	*	*	H	α-helix	trans	-63	-29.1	-174.4	-65.8	0	0	0	0	114.2	L8	C6-L8 VanDerWaalsContact C-N 3.34Å; C6-L8 PolarHBondContact O-N 2.83Å
7	H	27.9	Very low	37.8	Very low	136 Å²	136	113.8 Å²	113.8	63%	0.63	61%	0.605	S	S	*	*	H	α-helix	trans	-74.5	-17.6	-177.8	-79.9	-64.3	0	0	0	114.9	L5 T10	L5-H7 VanDerWaalsContact C-N 3.27Å; L5-H7 PolarHBondContact O-N 3.31Å; H7-T10 PolarHBondContact O-OG1 3.37Å
8	L	30.4	Very low	38.7	Very low	123 Å²	123	114.2 Å²	114.2	64%	0.644	61%	0.607	S	S	*	*	H	α-helix	trans	-80.5	-31.3	176.6	-87.2	157.6	0	0	0	112.4	L5 C6	L5-L8 PolarHBondContact O-N 2.77Å; C6-L8 VanDerWaalsContact C-N 3.34Å; C6-L8 PolarHBondContact O-N 2.83Å
9	L	33.4	Very low	39.8	Very low	124 Å²	124	114.2 Å²	114.2	65%	0.649	61%	0.607	S	S	*	*	H	α-helix	trans	-78.9	-24.2	179.8	-63.9	174.9	0	0	0	113
10	T	35.6	Very low	41.3	Very low	86 Å²	86	112.6 Å²	112.6	53%	0.528	60%	0.595	S	S	.	*	S	Bend	trans	-78.5	-21.5	-178.8	48.3	0	0	0	0	114.6	H7	H7-T10 PolarHBondContact O-OG1 3.37Å
11	N	36.1	Very low	42.7	Very low	132 Å²	132	109.7 Å²	109.7	71%	0.706	58%	0.579	S	S	*	*	S	Bend	trans	-91.9	-8	-170.7	-71.1	1.6	0	0	0	114.6
12	F	43.6	Very low	44.6	Very low	146 Å²	146	99.3 Å²	99.3	64%	0.64	53%	0.528	S	S	*	.	S	Bend	trans	-103	-11.7	179.6	-87.4	-83.4	0	0	0	114.6	P14	F12-P14 WeakPolarHBondContact O-CD 3.33Å
13	Y	40.6	Very low	46.4	Very low	64 Å²	64	94.7 Å²	94.7	25%	0.251	50%	0.496	S	S	.	.	S	Bend	trans	-92.3	116.2	173.7	-78.1	-91.5	0	0	0	109.4	T15 M17 N41 Y223	Y13-T15 PolarHBondContact O-N 2.8Å; Y13-M17 HydrophobicContact CD1-CB 4.27Å; Y13-M17 HydrophobicContact CD1-CE 3.82Å; Y13-M17 HydrophobicContact CE1-CE 4.14Å; Y13-N41 PolarHBondContact OH-ND2 2.94Å; Y13-Y223 WeakPolarHBondContact CE1-OH 3.42Å
14	P	43.1	Very low	48	Very low	47 Å²	47	91.3 Å²	91.3	31%	0.305	47%	0.472	S	S	.	.			trans	-56.4	135.3	164.7	24	-32.4	0	0	0	108.3	F12 I16 M17 A33	F12-P14 WeakPolarHBondContact O-CD 3.33Å; P14-I16 PolarHBondContact O-N 2.87Å; P14-M17 HydrophobicContact CG-CE 4.21Å; P14-M17 PolarHBondContact O-N 3.09Å; P14-A33 HydrophobicContact CG-CB 3.66Å
15	T	43.8	Very low	49.9	Very low	115 Å²	115	88.9 Å²	88.9	71%	0.706	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	-50.4	-23	-170.9	-28.6	0	0	0	0	114.1	Y13 M17 N18	Y13-T15 PolarHBondContact O-N 2.8Å; T15-M17 VanDerWaalsContact C-N 3.29Å; T15-M17 PolarHBondContact O-N 3.39Å; T15-N18 WeakPolarHBondContact O-CB 3.11Å; T15-N18 PolarHBondContact O-N 3.4Å; T15-N18 PolarHBondContact O-ND2 3.27Å
16	I	44.5	Very low	52	Low	93 Å²	93	85.9 Å²	85.9	48%	0.477	45%	0.447	S	S	.	.	G	3₁₀ helix	trans	-63.1	-28.6	177.8	-56.2	175	0	0	0	112.6	P14 N30	P14-I16 PolarHBondContact O-N 2.87Å; I16-N30 WeakPolarHBondContact CD1-OD1 3.47Å
17	M	55.7	Low	54	Low	8 Å²	8	81.8 Å²	81.8	4%	0.039	42%	0.419	C	S	.	.	G	3₁₀ helix	trans	-93.5	15.2	179.7	-63.7	-158.6	-56	0	0	114.8	Y13 P14 T15 N19 I22 A33 L37	Y13-M17 HydrophobicContact CD1-CB 4.27Å; Y13-M17 HydrophobicContact CD1-CE 3.82Å; Y13-M17 HydrophobicContact CE1-CE 4.14Å; P14-M17 HydrophobicContact CG-CE 4.21Å; P14-M17 PolarHBondContact O-N 3.09Å; T15-M17 VanDerWaalsContact C-N 3.29Å; T15-M17 PolarHBondContact O-N 3.39Å; M17-N19 PolarHBondContact O-N 2.97Å; M17-I22 HydrophobicContact CG-CD1 4.09Å; M17-I22 HydrophobicContact SD-CD1 4.31Å; M17-A33 HydrophobicContact CE-CB 3.95Å; M17-A33 VanDerWaalsContact CE-O 3.31Å; M17-A33 WeakPolarHBondContact CE-O 3.32Å; M17-A33 HydrophobicContact CG-CB 4.15Å; M17-A33 HydrophobicContact SD-CB 3.7Å; M17-L37 HydrophobicContact CE-CB 3.99Å; M17-L37 HydrophobicContact CE-CD1 3.9Å; M17-L37 HydrophobicContact SD-CB 4.24Å; M17-L37 HydrophobicContact SD-CD1 3.51Å; M17-L37 VanDerWaalsContact SD-CD1 3.51Å
18	N	53.9	Low	56.4	Low	121 Å²	121	78.6 Å²	78.6	65%	0.647	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-61.2	-25.4	167.6	-78.5	-17.8	0	0	0	112.2	T15	T15-N18 WeakPolarHBondContact O-CB 3.11Å; T15-N18 PolarHBondContact O-N 3.4Å; T15-N18 PolarHBondContact O-ND2 3.27Å
19	N	58.5	Low	58.9	Low	115 Å²	115	79.7 Å²	79.7	62%	0.615	42%	0.418	S	S	*	.	S	Bend	trans	-90	128.6	173.4	-76.7	-13.5	0	0	0	111.7	M17 I21	M17-N19 PolarHBondContact O-N 2.97Å; N19-I21 WeakPolarHBondContact CB-O 3.39Å; N19-I21 PolarHBondContact O-N 3.02Å
20	K	71	Confident	61.2	Low	82 Å²	82	75.5 Å²	75.5	36%	0.357	40%	0.396	S	S	.	.	S	Bend	trans	-71.3	-2.4	171.7	-60.1	-175.8	-177.4	-165.2	0	113.5	T221 Y223 F224	K20-T221 HydrophobicContact CD-CG2 3.83Å; K20-T221 HydrophobicContact CG-CG2 4.1Å; K20-T221 PolarHBondContact NZ-OG1 3.31Å; K20-Y223 CarbonylContact O-C 3.58Å; K20-Y223 WeakPolarHBondContact O-CA 3.23Å; K20-F224 PolarHBondContact O-N 3.05Å
21	I	71.1	Confident	63.7	Low	51 Å²	51	72.9 Å²	72.9	26%	0.262	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	129.3	171	-47.7	-176.4	0	0	0	108.2	N19 L208 F224 C226 L232	N19-I21 WeakPolarHBondContact CB-O 3.39Å; N19-I21 PolarHBondContact O-N 3.02Å; I21-L208 HydrophobicContact CD1-CD1 3.66Å; I21-L208 HydrophobicContact CD1-CG 4.01Å; I21-L208 HydrophobicContact CG1-CD1 3.65Å; I21-L208 HydrophobicContact CG1-CG 4.29Å; I21-F224 CarbonylContact C-O 3.57Å; I21-F224 VanDerWaalsContact CA-O 3.3Å; I21-F224 WeakPolarHBondContact CA-O 3.36Å; I21-F224 HydrophobicContact CG1-CB 4.25Å; I21-F224 HydrophobicContact CG2-CB 4.35Å; I21-C226 HydrophobicContact CG2-CB 4.21Å; I21-L232 HydrophobicContact CG2-CD1 4.48Å
22	I	72.4	Confident	66.2	Low	13 Å²	13	72.2 Å²	72.2	7%	0.067	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	133.8	176.7	-53	174.4	0	0	0	107.2	M17 D26 A27 I34 F224 L225 C226	M17-I22 HydrophobicContact CG-CD1 4.09Å; M17-I22 HydrophobicContact SD-CD1 4.31Å; I22-D26 HydrophobicContact CG2-CB 4.44Å; I22-A27 HydrophobicContact CG2-CB 3.9Å; I22-I34 HydrophobicContact CD1-CG1 4.38Å; I22-F224 PolarHBondContact N-O 3.2Å; I22-L225 HydrophobicContact CB-CD2 3.84Å; I22-L225 HydrophobicContact CG2-CD2 4.11Å; I22-L225 CarbonylContact O-C 3.47Å; I22-L225 VanDerWaalsContact O-CA 3.31Å; I22-L225 WeakPolarHBondContact O-CA 3.32Å; I22-C226 PolarHBondContact O-N 2.86Å
23	N	72.8	Confident	68.1	Low	29 Å²	29	65.6 Å²	65.6	16%	0.155	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	143.7	174	-160.3	-80.9	0	0	0	110	K25 D26 A27 C226 N228	N23-K25 PolarHBondContact O-N 2.88Å; N23-K25 PolarHBondContact OD1-N 2.85Å; N23-K25 VanDerWaalsContact OD1-N 3.16Å; N23-D26 HydrophobicContact CB-CB 4.24Å; N23-D26 WeakPolarHBondContact CB-OD2 3.02Å; N23-D26 CarbonylContact O-C 3.56Å; N23-D26 PolarHBondContact O-N 2.68Å; N23-D26 VanDerWaalsContact O-N 3.07Å; N23-A27 WeakPolarHBondContact O-CB 2.97Å; N23-A27 PolarHBondContact O-N 2.75Å; N23-C226 CarbonylContact C-O 3.53Å; N23-C226 WeakPolarHBondContact CA-O 3.49Å; N23-N228 PolarHBondContact ND2-ND2 2.76Å; N23-N228 PolarHBondContact ND2-OD1 3.44Å; N23-N228 WeakPolarHBondContact OD1-CB 3.23Å; N23-N228 PolarHBondContact OD1-ND2 3Å
24	V	72.7	Confident	70.3	Confident	14 Å²	14	62.7 Å²	62.7	9%	0.085	34%	0.336	C	S	.	.	H	α-helix	trans	-61.5	-28	178.8	171.7	0	0	0	0	112.8	S28 P48 F148 L225 C226 L227	V24-S28 PolarHBondContact O-N 3.18Å; V24-S28 VanDerWaalsContact O-N 3.08Å; V24-S28 PolarHBondContact O-OG 3.37Å; V24-P48 HydrophobicContact CG2-CG 3.53Å; V24-F148 HydrophobicContact CG1-CB 4.06Å; V24-F148 HydrophobicContact CG1-CD1 4.16Å; V24-F148 HydrophobicContact CG1-CD2 4.17Å; V24-F148 HydrophobicContact CG1-CG 3.85Å; V24-L225 HydrophobicContact CG2-CB 4.38Å; V24-C226 WeakPolarHBondContact CG2-O 3.35Å; V24-C226 PolarHBondContact N-O 3.12Å; V24-L227 HydrophobicContact CB-CD2 3.94Å; V24-L227 HydrophobicContact CG1-CD2 3.95Å; V24-L227 HydrophobicContact CG2-CD2 3.98Å; V24-L227 HydrophobicContact CG2-CG 4.25Å
25	K	74.2	Confident	72.6	Confident	136 Å²	136	60.6 Å²	60.6	59%	0.591	32%	0.322	S	S	*	.	H	α-helix	trans	-65.2	-51.1	172.1	-63.9	-167.2	-169.5	169	0	110.7	N23 A27 S28 L29 N228	N23-K25 PolarHBondContact O-N 2.88Å; N23-K25 PolarHBondContact OD1-N 2.85Å; N23-K25 VanDerWaalsContact OD1-N 3.16Å; K25-A27 VanDerWaalsContact C-N 3.3Å; K25-A27 PolarHBondContact O-N 3.18Å; K25-S28 WeakPolarHBondContact O-CB 3.41Å; K25-S28 PolarHBondContact O-N 2.98Å; K25-S28 VanDerWaalsContact O-N 3.16Å; K25-L29 PolarHBondContact O-N 3.03Å; K25-N228 HydrophobicContact CD-CB 4.46Å; K25-N228 WeakPolarHBondContact CD-ND2 3.45Å; K25-N228 HydrophobicContact CG-CB 4.47Å
26	D	77.2	Confident	74.6	Confident	82 Å²	82	58.4 Å²	58.4	44%	0.439	30%	0.304	S	S	.	.	H	α-helix	trans	-67.5	-33.3	179.4	-48.5	-26.9	0	0	0	111.3	I22 N23 S28 L29 N30	I22-D26 HydrophobicContact CG2-CB 4.44Å; N23-D26 HydrophobicContact CB-CB 4.24Å; N23-D26 WeakPolarHBondContact CB-OD2 3.02Å; N23-D26 CarbonylContact O-C 3.56Å; N23-D26 PolarHBondContact O-N 2.68Å; N23-D26 VanDerWaalsContact O-N 3.07Å; D26-S28 VanDerWaalsContact C-N 3.29Å; D26-S28 PolarHBondContact O-N 2.84Å; D26-L29 CarbonylContact O-C 3.43Å; D26-L29 WeakPolarHBondContact O-CB 3.46Å; D26-L29 PolarHBondContact O-N 2.99Å; D26-L29 VanDerWaalsContact O-N 3.13Å; D26-N30 WeakPolarHBondContact O-CB 3.39Å; D26-N30 PolarHBondContact O-N 2.72Å; D26-N30 PolarHBondContact O-ND2 3.31Å
27	A	76	Confident	76.6	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-63.9	-33.2	173.8	0	0	0	0	0	112.9	I22 N23 K25 L29 N30 L31 I34 F148 L225	I22-A27 HydrophobicContact CG2-CB 3.9Å; N23-A27 WeakPolarHBondContact O-CB 2.97Å; N23-A27 PolarHBondContact O-N 2.75Å; K25-A27 VanDerWaalsContact C-N 3.3Å; K25-A27 PolarHBondContact O-N 3.18Å; A27-L29 VanDerWaalsContact C-N 3.28Å; A27-N30 CarbonylContact O-C 3.45Å; A27-N30 VanDerWaalsContact O-C 3.29Å; A27-N30 PolarHBondContact O-N 3Å; A27-L31 WeakPolarHBondContact O-CA 3.48Å; A27-L31 PolarHBondContact O-N 3.29Å; A27-I34 HydrophobicContact CB-CD1 3.5Å; A27-I34 VanDerWaalsContact CB-CD1 3.5Å; A27-F148 HydrophobicContact CB-CE2 3.69Å; A27-F148 HydrophobicContact CB-CZ 3.7Å; A27-L225 HydrophobicContact CB-CD2 3.25Å
28	S	78.7	Confident	78.2	Confident	70 Å²	70	53.9 Å²	53.9	49%	0.49	28%	0.281	S	S	.	.	H	α-helix	trans	-69.6	-30	174.6	-57.2	0	0	0	0	111.4	V24 K25 D26	V24-S28 PolarHBondContact O-N 3.18Å; V24-S28 VanDerWaalsContact O-N 3.08Å; V24-S28 PolarHBondContact O-OG 3.37Å; K25-S28 WeakPolarHBondContact O-CB 3.41Å; K25-S28 PolarHBondContact O-N 2.98Å; K25-S28 VanDerWaalsContact O-N 3.16Å; D26-S28 VanDerWaalsContact C-N 3.29Å; D26-S28 PolarHBondContact O-N 2.84Å
29	L	81.8	Confident	79.7	Confident	146 Å²	146	49.7 Å²	49.7	76%	0.764	26%	0.261	S	S	*	.	H	α-helix	trans	-77.1	-26.9	170.6	-58.5	173.3	0	0	0	112.3	K25 D26 A27	K25-L29 PolarHBondContact O-N 3.03Å; D26-L29 CarbonylContact O-C 3.43Å; D26-L29 WeakPolarHBondContact O-CB 3.46Å; D26-L29 PolarHBondContact O-N 2.99Å; D26-L29 VanDerWaalsContact O-N 3.13Å; A27-L29 VanDerWaalsContact C-N 3.28Å
30	N	82.2	Confident	80.4	Confident	35 Å²	35	49.2 Å²	49.2	19%	0.187	26%	0.255	C	S	.	.	S	Bend	trans	-110.9	29.3	-175.1	-69.1	-75.1	0	0	0	113.4	I16 D26 A27 N32 A33 I34	I16-N30 WeakPolarHBondContact CD1-OD1 3.47Å; D26-N30 WeakPolarHBondContact O-CB 3.39Å; D26-N30 PolarHBondContact O-N 2.72Å; D26-N30 PolarHBondContact O-ND2 3.31Å; A27-N30 CarbonylContact O-C 3.45Å; A27-N30 VanDerWaalsContact O-C 3.29Å; A27-N30 PolarHBondContact O-N 3Å; N30-N32 VanDerWaalsContact C-N 3.29Å; N30-N32 PolarHBondContact O-N 2.83Å; N30-A33 WeakPolarHBondContact O-CB 2.93Å; N30-A33 PolarHBondContact O-N 2.79Å; N30-I34 PolarHBondContact O-N 2.82Å
31	L	88.6	Confident	80.2	Confident	32 Å²	32	48.5 Å²	48.5	17%	0.168	26%	0.255	C	S	.	.	H	α-helix	trans	-55.5	-45.4	-172.2	-167.5	66.3	0	0	0	111.7	A27 A33 I34 V35 F148 K151 L152 A155	A27-L31 WeakPolarHBondContact O-CA 3.48Å; A27-L31 PolarHBondContact O-N 3.29Å; L31-A33 VanDerWaalsContact C-N 3.29Å; L31-A33 PolarHBondContact O-N 3.29Å; L31-I34 PolarHBondContact O-N 3.21Å; L31-V35 HydrophobicContact CG-CG2 4.4Å; L31-V35 VanDerWaalsContact O-CG2 3.29Å; L31-V35 WeakPolarHBondContact O-CG2 3.04Å; L31-V35 PolarHBondContact O-N 3.37Å; L31-F148 HydrophobicContact CD1-CE2 3.99Å; L31-K151 HydrophobicContact CD2-CB 4.45Å; L31-L152 HydrophobicContact CD1-CB 4.06Å; L31-L152 HydrophobicContact CD1-CD1 3.92Å; L31-A155 HydrophobicContact CD2-CB 3.78Å; L31-A155 HydrophobicContact CG-CB 4.2Å
32	N	86.9	Confident	80.3	Confident	118 Å²	118	48.1 Å²	48.1	63%	0.631	25%	0.254	S	S	*	.	H	α-helix	trans	-59.3	-36.2	-179.9	-64.1	-3.9	0	0	0	113	N30 I34 V35 Q36	N30-N32 VanDerWaalsContact C-N 3.29Å; N30-N32 PolarHBondContact O-N 2.83Å; N32-I34 VanDerWaalsContact C-N 3.34Å; N32-V35 PolarHBondContact O-N 3.39Å; N32-Q36 WeakPolarHBondContact O-CB 3.39Å; N32-Q36 VanDerWaalsContact O-CG 3.29Å; N32-Q36 WeakPolarHBondContact O-CG 3.03Å; N32-Q36 PolarHBondContact O-N 3.14Å
33	A	84.2	Confident	80.8	Confident	7 Å²	7	47.6 Å²	47.6	6%	0.058	25%	0.252	C	S	.	.	H	α-helix	trans	-66.8	-38.5	177.1	0	0	0	0	0	111.3	P14 M17 N30 L31 Q36 L37	P14-A33 HydrophobicContact CG-CB 3.66Å; M17-A33 HydrophobicContact CE-CB 3.95Å; M17-A33 VanDerWaalsContact CE-O 3.31Å; M17-A33 WeakPolarHBondContact CE-O 3.32Å; M17-A33 HydrophobicContact CG-CB 4.15Å; M17-A33 HydrophobicContact SD-CB 3.7Å; N30-A33 WeakPolarHBondContact O-CB 2.93Å; N30-A33 PolarHBondContact O-N 2.79Å; L31-A33 VanDerWaalsContact C-N 3.29Å; L31-A33 PolarHBondContact O-N 3.29Å; A33-Q36 PolarHBondContact O-N 3.35Å; A33-L37 VanDerWaalsContact O-CB 3.29Å; A33-L37 WeakPolarHBondContact O-CB 3.4Å; A33-L37 PolarHBondContact O-N 3.42Å
34	I	87.9	Confident	81.5	Confident	2 Å²	2	46.2 Å²	46.2	1%	0.01	24%	0.244	C	C	.	.	H	α-helix	trans	-71.2	-38.4	177.4	-57.3	165.8	0	0	0	110.7	I22 A27 N30 L31 N32 L37 I38 V45 F148 L152 L225	I22-I34 HydrophobicContact CD1-CG1 4.38Å; A27-I34 HydrophobicContact CB-CD1 3.5Å; A27-I34 VanDerWaalsContact CB-CD1 3.5Å; N30-I34 PolarHBondContact O-N 2.82Å; L31-I34 PolarHBondContact O-N 3.21Å; N32-I34 VanDerWaalsContact C-N 3.34Å; I34-L37 PolarHBondContact O-N 2.88Å; I34-I38 HydrophobicContact CG2-CD1 3.94Å; I34-I38 WeakPolarHBondContact O-CG1 3.3Å; I34-I38 PolarHBondContact O-N 3.12Å; I34-V45 HydrophobicContact CG2-CG1 4.42Å; I34-F148 HydrophobicContact CD1-CZ 4.1Å; I34-L152 HydrophobicContact CB-CD1 4.19Å; I34-L152 HydrophobicContact CG2-CD1 3.73Å; I34-L152 HydrophobicContact CG2-CD2 4.16Å; I34-L225 HydrophobicContact CD1-CD1 4.25Å; I34-L225 HydrophobicContact CD1-CD2 3.69Å; I34-L225 HydrophobicContact CG2-CD1 4.04Å
35	V	90.5	Very high	82.3	Confident	3 Å²	3	45.6 Å²	45.6	2%	0.018	24%	0.241	C	C	.	.	H	α-helix	trans	-60.8	-47.8	173.3	173.1	0	0	0	0	110.6	L31 N32 I38 S39 L152 A155 L156 Q159	L31-V35 HydrophobicContact CG-CG2 4.4Å; L31-V35 VanDerWaalsContact O-CG2 3.29Å; L31-V35 WeakPolarHBondContact O-CG2 3.04Å; L31-V35 PolarHBondContact O-N 3.37Å; N32-V35 PolarHBondContact O-N 3.39Å; V35-I38 PolarHBondContact O-N 2.79Å; V35-S39 VanDerWaalsContact O-CB 3.3Å; V35-S39 WeakPolarHBondContact O-CB 3.46Å; V35-S39 PolarHBondContact O-N 2.93Å; V35-S39 PolarHBondContact O-OG 3.18Å; V35-L152 HydrophobicContact CG2-CD1 3.84Å; V35-A155 HydrophobicContact CG2-CB 3.64Å; V35-L156 HydrophobicContact CB-CD2 4.42Å; V35-L156 HydrophobicContact CG1-CD2 3.86Å; V35-L156 HydrophobicContact CG1-CG 4.09Å; V35-L156 HydrophobicContact CG2-CG 4.28Å; V35-Q159 HydrophobicContact CG1-CB 3.97Å; V35-Q159 HydrophobicContact CG1-CG 4.4Å
36	Q	86	Confident	83	Confident	70 Å²	70	39.2 Å²	39.2	33%	0.327	21%	0.213	S	C	.	.	H	α-helix	trans	-59.1	-47.6	174.8	-75.9	171.9	-14.9	0	0	111.8	N32 A33 I38 S39 Q40	N32-Q36 WeakPolarHBondContact O-CB 3.39Å; N32-Q36 VanDerWaalsContact O-CG 3.29Å; N32-Q36 WeakPolarHBondContact O-CG 3.03Å; N32-Q36 PolarHBondContact O-N 3.14Å; A33-Q36 PolarHBondContact O-N 3.35Å; Q36-I38 PolarHBondContact O-N 2.81Å; Q36-S39 PolarHBondContact O-N 2.73Å; Q36-S39 VanDerWaalsContact O-N 3.11Å; Q36-Q40 WeakPolarHBondContact O-CB 3.44Å; Q36-Q40 PolarHBondContact O-N 2.91Å
37	L	85.5	Confident	83.5	Confident	5 Å²	5	35.3 Å²	35.3	3%	0.026	19%	0.192	C	C	.	.	H	α-helix	trans	-56.7	-48.8	178.6	-179.1	159.8	0	0	0	112.6	M17 A33 I34 S39 G43 V45 Y223	M17-L37 HydrophobicContact CE-CB 3.99Å; M17-L37 HydrophobicContact CE-CD1 3.9Å; M17-L37 HydrophobicContact SD-CB 4.24Å; M17-L37 HydrophobicContact SD-CD1 3.51Å; M17-L37 VanDerWaalsContact SD-CD1 3.51Å; A33-L37 VanDerWaalsContact O-CB 3.29Å; A33-L37 WeakPolarHBondContact O-CB 3.4Å; A33-L37 PolarHBondContact O-N 3.42Å; I34-L37 PolarHBondContact O-N 2.88Å; L37-S39 VanDerWaalsContact C-N 3.25Å; L37-S39 PolarHBondContact O-N 2.8Å; L37-G43 WeakPolarHBondContact O-CA 3.49Å; L37-V45 HydrophobicContact CD2-CG1 3.64Å; L37-Y223 HydrophobicContact CD1-CD1 3.66Å; L37-Y223 HydrophobicContact CD1-CD2 3.62Å; L37-Y223 HydrophobicContact CD1-CE1 3.73Å; L37-Y223 HydrophobicContact CD1-CE2 3.67Å; L37-Y223 HydrophobicContact CD1-CG 3.59Å; L37-Y223 HydrophobicContact CD2-CD2 3.9Å; L37-Y223 HydrophobicContact CD2-CE2 4.27Å; L37-Y223 HydrophobicContact CD2-CG 4.38Å; L37-Y223 HydrophobicContact CG-CD2 4.11Å; L37-Y223 HydrophobicContact CG-CE2 4.06Å
38	I	89.6	Confident	83.8	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-65.7	-30.8	178.3	-69.1	169.4	0	0	0	111.5	I34 V35 Q36 V45 L152 L156 L190	I34-I38 HydrophobicContact CG2-CD1 3.94Å; I34-I38 WeakPolarHBondContact O-CG1 3.3Å; I34-I38 PolarHBondContact O-N 3.12Å; V35-I38 PolarHBondContact O-N 2.79Å; Q36-I38 PolarHBondContact O-N 2.81Å; I38-V45 HydrophobicContact CD1-CG1 4.03Å; I38-V45 HydrophobicContact CD1-CG2 3.76Å; I38-V45 HydrophobicContact CG1-CG1 3.78Å; I38-V45 HydrophobicContact CG1-CG2 4.09Å; I38-L152 HydrophobicContact CD1-CD1 4.17Å; I38-L152 HydrophobicContact CD1-CD2 3.95Å; I38-L152 HydrophobicContact CD1-CG 4.32Å; I38-L156 HydrophobicContact CB-CD2 4.08Å; I38-L156 HydrophobicContact CD1-CD1 4.24Å; I38-L156 HydrophobicContact CG2-CD1 4.03Å; I38-L156 HydrophobicContact CG2-CD2 3.82Å; I38-L190 HydrophobicContact CG2-CD2 3.81Å
39	S	84.9	Confident	84.2	Confident	34 Å²	34	33.2 Å²	33.2	24%	0.238	18%	0.176	C	C	.	.	H	α-helix	trans	-84.5	-41.9	-175.7	-57.3	0	0	0	0	113.8	V35 Q36 L37 L156 Q159	V35-S39 VanDerWaalsContact O-CB 3.3Å; V35-S39 WeakPolarHBondContact O-CB 3.46Å; V35-S39 PolarHBondContact O-N 2.93Å; V35-S39 PolarHBondContact O-OG 3.18Å; Q36-S39 PolarHBondContact O-N 2.73Å; Q36-S39 VanDerWaalsContact O-N 3.11Å; L37-S39 VanDerWaalsContact C-N 3.25Å; L37-S39 PolarHBondContact O-N 2.8Å; S39-L156 WeakPolarHBondContact OG-CD2 3.5Å; S39-Q159 PolarHBondContact OG-NE2 3.07Å
40	Q	74.3	Confident	84.3	Confident	104 Å²	104	28.6 Å²	28.6	49%	0.486	15%	0.152	S	C	.	.	H	α-helix	trans	-102.1	-28.8	-160.4	-66.3	179.1	-20.6	0	0	115.2	Q36	Q36-Q40 WeakPolarHBondContact O-CB 3.44Å; Q36-Q40 PolarHBondContact O-N 2.91Å
41	N	66.3	Low	84.3	Confident	67 Å²	67	30.3 Å²	30.3	36%	0.358	16%	0.164	S	C	.	.	S	Bend	trans	-137.6	76.2	-169.4	-67.7	-50.5	0	0	0	111.8	Y13 G43	Y13-N41 PolarHBondContact OH-ND2 2.94Å; N41-G43 VanDerWaalsContact O-CA 3.26Å; N41-G43 WeakPolarHBondContact O-CA 3.2Å; N41-G43 PolarHBondContact O-N 3.35Å
42	D	72.8	Confident	84	Confident	43 Å²	43	30.7 Å²	30.7	23%	0.23	17%	0.166	C	C	.	.			trans	35.6	40.1	178.5	81.5	-27.7	0	0	0	115.6	V44 E63 A64 R67	D42-V44 PolarHBondContact O-N 3.16Å; D42-V44 VanDerWaalsContact O-N 3.13Å; D42-E63 HydrophobicContact CB-CB 4.26Å; D42-E63 HydrophobicContact CB-CG 3.79Å; D42-A64 VanDerWaalsContact C-CB 3.49Å; D42-A64 HydrophobicContact CB-CB 4.47Å; D42-R67 IonicContact OD1-CZ 3.43Å; D42-R67 IonicContact OD1-NH1 2.74Å; D42-R67 PolarHBondContact OD1-NH1 3.18Å; D42-R67 IonicContact OD1-NH2 3.11Å; D42-R67 WeakPolarHBondContact OD2-CD 3.38Å; D42-R67 IonicContact OD2-CZ 3.46Å; D42-R67 IonicContact OD2-NE 3.73Å; D42-R67 IonicContact OD2-NH1 2.61Å; D42-R67 PolarHBondContact OD2-NH1 2.9Å
43	G	83.6	Confident	83.9	Confident	2 Å²	2	25.6 Å²	25.6	2%	0.021	14%	0.138	C	C	.	.			trans	-73.3	106.6	-153	0	0	0	0	0	114	L37 N41 C57	L37-G43 WeakPolarHBondContact O-CA 3.49Å; N41-G43 VanDerWaalsContact O-CA 3.26Å; N41-G43 WeakPolarHBondContact O-CA 3.2Å; N41-G43 PolarHBondContact O-N 3.35Å; G43-C57 WeakPolarHBondContact O-CA 3.33Å; G43-C57 VanDerWaalsContact O-CB 3.3Å; G43-C57 WeakPolarHBondContact O-CB 3.04Å
44	V	87.6	Confident	84.1	Confident	1 Å²	1	25.3 Å²	25.3	1%	0.006	14%	0.136	C	C	.	.			trans	-101.9	118.1	171.1	-176.8	0	0	0	0	110.2	D42 L55 A56 C57 A64 R67 I68 I71 V222 Y223	D42-V44 PolarHBondContact O-N 3.16Å; D42-V44 VanDerWaalsContact O-N 3.13Å; V44-L55 HydrophobicContact CG1-CB 4.37Å; V44-L55 HydrophobicContact CG1-CD2 4.35Å; V44-A56 WeakPolarHBondContact CA-O 3.3Å; V44-C57 HydrophobicContact CG2-CB 4.3Å; V44-A64 HydrophobicContact CG2-CB 4.36Å; V44-R67 HydrophobicContact CG2-CB 4.11Å; V44-R67 HydrophobicContact CG2-CG 3.86Å; V44-I68 HydrophobicContact CB-CG1 4.43Å; V44-I68 HydrophobicContact CG1-CD1 4.14Å; V44-I68 HydrophobicContact CG1-CG1 3.76Å; V44-I68 HydrophobicContact CG2-CD1 4.38Å; V44-I68 HydrophobicContact CG2-CG1 3.73Å; V44-I71 HydrophobicContact CB-CD1 4.42Å; V44-I71 HydrophobicContact CG1-CD1 3.98Å; V44-I71 HydrophobicContact CG2-CD1 4.41Å; V44-V222 HydrophobicContact CG1-CG1 4.46Å; V44-V222 HydrophobicContact CG1-CG2 4.2Å; V44-Y223 PolarHBondContact O-N 3.08Å; V44-Y223 VanDerWaalsContact O-N 3.17Å
45	V	88.8	Confident	84.2	Confident	1 Å²	1	25.6 Å²	25.6	1%	0.006	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	146.1	174.2	-65.9	0	0	0	0	110.7	I34 L37 I38 L47 L55 A56 Y223 L225	I34-V45 HydrophobicContact CG2-CG1 4.42Å; L37-V45 HydrophobicContact CD2-CG1 3.64Å; I38-V45 HydrophobicContact CD1-CG1 4.03Å; I38-V45 HydrophobicContact CD1-CG2 3.76Å; I38-V45 HydrophobicContact CG1-CG1 3.78Å; I38-V45 HydrophobicContact CG1-CG2 4.09Å; V45-L47 HydrophobicContact CB-CG 4.48Å; V45-L47 HydrophobicContact CG2-CD1 3.92Å; V45-L47 HydrophobicContact CG2-CD2 4.19Å; V45-L47 HydrophobicContact CG2-CG 3.8Å; V45-L55 CarbonylContact O-C 3.38Å; V45-L55 WeakPolarHBondContact O-CA 3.15Å; V45-A56 HydrophobicContact CG2-CB 4.13Å; V45-A56 WeakPolarHBondContact CG2-O 3.31Å; V45-A56 PolarHBondContact N-O 2.61Å; V45-A56 PolarHBondContact O-N 2.87Å; V45-Y223 CarbonylContact C-O 3.52Å; V45-Y223 VanDerWaalsContact CA-O 3.24Å; V45-Y223 WeakPolarHBondContact CA-O 3.32Å; V45-L225 HydrophobicContact CB-CD1 4.34Å; V45-L225 HydrophobicContact CG1-CD1 4.47Å
46	A	88.8	Confident	84.3	Confident	1 Å²	1	25.4 Å²	25.4	1%	0.008	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	115	164.3	0	0	0	0	0	108.6	G54 L55 V222 Y223 F224 L225	A46-G54 CarbonylContact C-O 3.57Å; A46-G54 WeakPolarHBondContact CA-O 3.5Å; A46-L55 HydrophobicContact CB-CD2 3.88Å; A46-V222 HydrophobicContact CB-CG1 3.89Å; A46-Y223 PolarHBondContact N-O 3.31Å; A46-F224 HydrophobicContact CB-CD1 3.33Å; A46-F224 HydrophobicContact CB-CE1 3.65Å; A46-F224 HydrophobicContact CB-CG 4.05Å; A46-L225 WeakPolarHBondContact O-CB 3.33Å; A46-L225 PolarHBondContact O-N 3.39Å
47	L	87.8	Confident	84.6	Confident	1 Å²	1	22.1 Å²	22.1	1%	0.005	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	143.4	-175.8	-66.2	166.7	0	0	0	110.9	V45 T49 Y53 G54 A56 F148 I149 L152 L190 L225	V45-L47 HydrophobicContact CB-CG 4.48Å; V45-L47 HydrophobicContact CG2-CD1 3.92Å; V45-L47 HydrophobicContact CG2-CD2 4.19Å; V45-L47 HydrophobicContact CG2-CG 3.8Å; L47-T49 PolarHBondContact O-N 3.11Å; L47-Y53 WeakPolarHBondContact O-CA 3.15Å; L47-Y53 WeakPolarHBondContact O-CD1 3.46Å; L47-G54 PolarHBondContact N-O 2.88Å; L47-G54 PolarHBondContact O-N 3.29Å; L47-A56 HydrophobicContact CD1-CB 3.75Å; L47-F148 HydrophobicContact CD2-CE1 3.76Å; L47-I149 HydrophobicContact CB-CD1 4.15Å; L47-I149 HydrophobicContact CB-CG1 4.4Å; L47-I149 HydrophobicContact CD1-CG1 4.43Å; L47-L152 HydrophobicContact CD1-CD2 4.17Å; L47-L152 HydrophobicContact CD2-CD2 3.79Å; L47-L190 HydrophobicContact CD1-CD1 4.04Å; L47-L225 HydrophobicContact CD2-CB 4.27Å; L47-L225 HydrophobicContact CD2-CD1 3.38Å; L47-L225 HydrophobicContact CD2-CG 4.42Å
48	P	83.6	Confident	85	Confident	6 Å²	6	22.1 Å²	22.1	4%	0.039	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	113	168.5	25.8	-15.6	0	0	0	108.6	V24 Y53 I149 L225 L227	V24-P48 HydrophobicContact CG2-CG 3.53Å; P48-Y53 HydrophobicContact CB-CD1 4.09Å; P48-Y53 HydrophobicContact CB-CE1 3.52Å; P48-Y53 HydrophobicContact CG-CE1 4.17Å; P48-I149 WeakPolarHBondContact O-CD1 3.48Å; P48-L225 WeakPolarHBondContact CD-O 3.26Å; P48-L225 WeakPolarHBondContact CG-O 3.36Å; P48-L227 HydrophobicContact CB-CD1 3.75Å; P48-L227 HydrophobicContact CB-CG 3.77Å; P48-L227 HydrophobicContact CG-CD1 4.26Å; P48-L227 HydrophobicContact CG-CD2 4.42Å; P48-L227 HydrophobicContact CG-CG 3.79Å
49	T	85.3	Confident	85.1	Confident	19 Å²	19	22.1 Å²	22.1	12%	0.117	12%	0.122	C	C	.	.			trans	-88.4	175	169.8	100.3	0	0	0	0	110.7	L47 T51 I52 I149 L192	L47-T49 PolarHBondContact O-N 3.11Å; T49-T51 PolarHBondContact O-N 3.23Å; T49-T51 VanDerWaalsContact O-N 3.09Å; T49-T51 PolarHBondContact OG1-N 3.46Å; T49-T51 PolarHBondContact OG1-OG1 3.16Å; T49-I52 WeakPolarHBondContact CG2-O 3.21Å; T49-I52 PolarHBondContact N-O 3.33Å; T49-I52 PolarHBondContact OG1-O 2.98Å; T49-I149 HydrophobicContact CG2-CD1 3.96Å; T49-L192 HydrophobicContact CG2-CD2 4.37Å
50	D	83.8	Confident	85.4	Confident	49 Å²	49	23.3 Å²	23.3	26%	0.262	12%	0.123	S	C	.	.	S	Bend	trans	-56.7	-0.1	163.3	58.5	-10	0	0	0	116.4	G110 P111 R142 P144 D145	D50-G110 VanDerWaalsContact OD2-O 3.11Å; D50-P111 WeakPolarHBondContact OD2-CA 3.43Å; D50-R142 IonicContact OD1-CZ 3.93Å; D50-R142 IonicContact OD1-NE 2.73Å; D50-R142 IonicContact OD1-NH2 3.62Å; D50-R142 PolarHBondContact OD1-NH2 3.45Å; D50-R142 IonicContact OD2-NH2 3.6Å; D50-P144 WeakPolarHBondContact OD2-CA 3.49Å; D50-D145 PolarHBondContact OD2-N 3.14Å
51	T	82.9	Confident	86.1	Confident	71 Å²	71	19.7 Å²	19.7	44%	0.436	11%	0.107	S	C	.	.	S	Bend	trans	-129.7	-65.9	176.2	51.5	0	0	0	0	112.1	T49 P111 R142	T49-T51 PolarHBondContact O-N 3.23Å; T49-T51 VanDerWaalsContact O-N 3.09Å; T49-T51 PolarHBondContact OG1-N 3.46Å; T49-T51 PolarHBondContact OG1-OG1 3.16Å; T51-P111 HydrophobicContact CG2-CB 3.52Å; T51-R142 PolarHBondContact OG1-NH2 3.21Å; T51-R142 VanDerWaalsContact OG1-NH2 3.16Å
52	I	83	Confident	87.1	Confident	40 Å²	40	19 Å²	19	21%	0.205	11%	0.105	C	C	.	.	S	Bend	trans	-143.7	174.3	-175.7	56.1	172.2	0	0	0	109.4	T49 S202	T49-I52 WeakPolarHBondContact CG2-O 3.21Å; T49-I52 PolarHBondContact N-O 3.33Å; T49-I52 PolarHBondContact OG1-O 2.98Å; I52-S202 WeakPolarHBondContact CD1-OG 3.25Å
53	Y	84.4	Confident	87.8	Confident	11 Å²	11	21.7 Å²	21.7	4%	0.043	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	139	169.1	-74.6	-80.7	0	0	0	110.9	L47 P48 A195 A203 I206 L225	L47-Y53 WeakPolarHBondContact O-CA 3.15Å; L47-Y53 WeakPolarHBondContact O-CD1 3.46Å; P48-Y53 HydrophobicContact CB-CD1 4.09Å; P48-Y53 HydrophobicContact CB-CE1 3.52Å; P48-Y53 HydrophobicContact CG-CE1 4.17Å; Y53-A195 VanDerWaalsContact C-CB 3.5Å; Y53-A195 WeakPolarHBondContact O-CB 3.37Å; Y53-A195 PolarHBondContact O-N 3.26Å; Y53-A203 PolarHBondContact N-O 3.14Å; Y53-I206 HydrophobicContact CD1-CD1 3.53Å; Y53-I206 HydrophobicContact CD1-CG1 3.97Å; Y53-I206 HydrophobicContact CD2-CD1 4.37Å; Y53-I206 HydrophobicContact CD2-CG1 4.09Å; Y53-I206 HydrophobicContact CE1-CD1 3.21Å; Y53-I206 HydrophobicContact CE1-CG1 3.98Å; Y53-I206 HydrophobicContact CE2-CD1 4.11Å; Y53-I206 HydrophobicContact CE2-CG1 4.09Å; Y53-I206 HydrophobicContact CG-CD1 4.11Å; Y53-I206 HydrophobicContact CG-CG1 4.03Å; Y53-L225 WeakPolarHBondContact CE1-O 3.46Å
54	G	87.5	Confident	88.1	Confident	2 Å²	2	21.6 Å²	21.6	2%	0.021	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	136.2	175	0	0	0	0	0	111.6	A46 L47 T193	A46-G54 CarbonylContact C-O 3.57Å; A46-G54 WeakPolarHBondContact CA-O 3.5Å; L47-G54 PolarHBondContact N-O 2.88Å; L47-G54 PolarHBondContact O-N 3.29Å; G54-T193 CarbonylContact C-O 3.46Å; G54-T193 WeakPolarHBondContact CA-O 3.46Å
55	L	90.2	Very high	88.2	Confident	7 Å²	7	21.6 Å²	21.6	4%	0.037	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	133.3	165.6	-62.9	178	0	0	0	109.1	V44 V45 A46 I68 I71 K72 L192 T193 A195 V222	V44-L55 HydrophobicContact CG1-CB 4.37Å; V44-L55 HydrophobicContact CG1-CD2 4.35Å; V45-L55 CarbonylContact O-C 3.38Å; V45-L55 WeakPolarHBondContact O-CA 3.15Å; A46-L55 HydrophobicContact CB-CD2 3.88Å; L55-I68 HydrophobicContact CB-CD1 4.4Å; L55-I71 HydrophobicContact CD1-CB 4.31Å; L55-I71 HydrophobicContact CD1-CG2 3.53Å; L55-K72 HydrophobicContact CD1-CD 4.16Å; L55-K72 VanDerWaalsContact CD1-CE 3.5Å; L55-K72 VanDerWaalsContact CD1-NZ 3.34Å; L55-L192 WeakPolarHBondContact O-CA 3.43Å; L55-T193 HydrophobicContact CB-CG2 4.07Å; L55-T193 PolarHBondContact N-O 3.46Å; L55-T193 PolarHBondContact O-N 3.16Å; L55-A195 HydrophobicContact CG-CB 4.26Å; L55-V222 HydrophobicContact CD2-CG1 3.69Å; L55-V222 HydrophobicContact CD2-CG2 4.47Å
56	A	93	Very high	88.1	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	150	-178.1	0	0	0	0	0	113.2	V44 V45 L47 L190 V191 L192	V44-A56 WeakPolarHBondContact CA-O 3.3Å; V45-A56 HydrophobicContact CG2-CB 4.13Å; V45-A56 WeakPolarHBondContact CG2-O 3.31Å; V45-A56 PolarHBondContact N-O 2.61Å; V45-A56 PolarHBondContact O-N 2.87Å; L47-A56 HydrophobicContact CD1-CB 3.75Å; A56-L190 HydrophobicContact CB-CB 4.24Å; A56-L190 HydrophobicContact CB-CD1 4.23Å; A56-V191 WeakPolarHBondContact CA-O 3.34Å; A56-V191 WeakPolarHBondContact CB-O 3Å; A56-L192 HydrophobicContact CB-CD1 3.94Å
57	C	93.5	Very high	88	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	164.9	172.4	70.2	0	0	0	0	110.3	G43 V44 V59 A64 I68 L190 V191	G43-C57 WeakPolarHBondContact O-CA 3.33Å; G43-C57 VanDerWaalsContact O-CB 3.3Å; G43-C57 WeakPolarHBondContact O-CB 3.04Å; V44-C57 HydrophobicContact CG2-CB 4.3Å; C57-V59 PolarHBondContact O-N 3.31Å; C57-A64 HydrophobicContact CB-CB 3.5Å; C57-A64 VanDerWaalsContact CB-CB 3.5Å; C57-I68 HydrophobicContact CB-CD1 3.9Å; C57-I68 VanDerWaalsContact SG-CD1 3.56Å; C57-L190 CarbonylContact O-C 3.56Å; C57-L190 WeakPolarHBondContact O-CA 3.33Å; C57-L190 WeakPolarHBondContact O-CD2 3.12Å; C57-V191 PolarHBondContact N-O 2.74Å; C57-V191 PolarHBondContact O-N 3.23Å
58	S	93.4	Very high	88	Confident	5 Å²	5	25.6 Å²	25.6	4%	0.035	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	132.4	172.7	178.2	0	0	0	0	111.4	F60 N61 H188	S58-F60 PolarHBondContact O-N 3.23Å; S58-F60 PolarHBondContact OG-N 2.6Å; S58-N61 PolarHBondContact O-N 3.33Å; S58-N61 VanDerWaalsContact O-N 3.14Å; S58-H188 PolarHBondContact OG-NE2 3.37Å
59	V	92.2	Very high	88.1	Confident	0 Å²	0	26 Å²	26	0%	0	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-17.1	172.6	75.4	0	0	0	0	112.7	C57 I82 W93 L127 R130 L132 P189 V191	C57-V59 PolarHBondContact O-N 3.31Å; V59-I82 HydrophobicContact CG2-CG2 4.25Å; V59-W93 HydrophobicContact CG1-CH2 4.02Å; V59-W93 HydrophobicContact CG1-CZ3 4.15Å; V59-L127 HydrophobicContact CG2-CD2 3.84Å; V59-R130 WeakPolarHBondContact O-CD 3.46Å; V59-L132 HydrophobicContact CG2-CD2 4.14Å; V59-P189 HydrophobicContact CB-CB 4.2Å; V59-P189 WeakPolarHBondContact CB-O 3.01Å; V59-P189 HydrophobicContact CG1-CB 3.83Å; V59-P189 HydrophobicContact CG1-CG 3.8Å; V59-P189 WeakPolarHBondContact CG1-O 3.49Å; V59-P189 PolarHBondContact N-O 3.22Å; V59-V191 HydrophobicContact CB-CG2 4.31Å; V59-V191 HydrophobicContact CG2-CG2 4.1Å
60	F	89.5	Confident	88.1	Confident	60 Å²	60	30.8 Å²	30.8	26%	0.263	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-4.7	177.3	-50.4	-105	0	0	0	112.5	S58 W93 S183 H188	S58-F60 PolarHBondContact O-N 3.23Å; S58-F60 PolarHBondContact OG-N 2.6Å; F60-W93 HydrophobicContact CE1-CH2 4.3Å; F60-W93 HydrophobicContact CE2-CH2 4.45Å; F60-W93 AromaticContact CZ-CH2 3.84Å; F60-W93 HydrophobicContact CZ-CH2 3.84Å; F60-W93 HydrophobicContact CZ-CZ2 4.18Å; F60-S183 WeakPolarHBondContact CE1-OG 3.34Å; F60-H188 AromaticContact CD2-CE1 3.36Å; F60-H188 WeakPolarHBondContact CD2-CE1 3.13Å; F60-H188 AromaticContact CD2-ND1 3.79Å; F60-H188 AromaticContact CD2-NE2 3.49Å; F60-H188 WeakPolarHBondContact CD2-NE2 3.36Å; F60-H188 HydrophobicContact CE2-CB 4.32Å; F60-H188 AromaticContact CE2-CD2 3.85Å; F60-H188 AromaticContact CE2-CE1 3.55Å; F60-H188 AromaticContact CE2-CG 3.65Å; F60-H188 AromaticContact CE2-ND1 3.46Å; F60-H188 WeakPolarHBondContact CE2-ND1 3.18Å; F60-H188 AromaticContact CE2-NE2 3.78Å
61	N	89	Confident	87.9	Confident	28 Å²	28	29.4 Å²	29.4	15%	0.15	14%	0.141	C	C	.	.			trans	-109.9	86.2	-177.4	-169.8	-35.3	0	0	0	110.5	S58 E63 A64 I65	S58-N61 PolarHBondContact O-N 3.33Å; S58-N61 VanDerWaalsContact O-N 3.14Å; N61-E63 VanDerWaalsContact C-N 3.28Å; N61-E63 PolarHBondContact O-N 3.04Å; N61-E63 PolarHBondContact OD1-N 3.07Å; N61-A64 HydrophobicContact CB-CB 3.96Å; N61-A64 WeakPolarHBondContact O-CB 3.24Å; N61-A64 PolarHBondContact O-N 3.19Å; N61-A64 WeakPolarHBondContact OD1-CB 3.34Å; N61-A64 PolarHBondContact OD1-N 3.44Å; N61-I65 WeakPolarHBondContact O-CG1 3.44Å; N61-I65 PolarHBondContact O-N 2.82Å; N61-I65 VanDerWaalsContact O-N 3.09Å
62	T	88.2	Confident	87.6	Confident	53 Å²	53	26.1 Å²	26.1	33%	0.325	12%	0.121	S	C	.	.	H	α-helix	trans	-55.9	-38.9	-177	-48.4	0	0	0	0	113	A64 I65 E66 L131	T62-A64 VanDerWaalsContact C-N 3.34Å; T62-A64 PolarHBondContact O-N 2.72Å; T62-I65 WeakPolarHBondContact O-CB 3.35Å; T62-I65 PolarHBondContact O-N 2.75Å; T62-I65 VanDerWaalsContact O-N 3.15Å; T62-E66 PolarHBondContact O-N 2.78Å; T62-L131 HydrophobicContact CG2-CB 4.48Å; T62-L131 HydrophobicContact CG2-CD1 4.04Å
63	E	88	Confident	87.4	Confident	99 Å²	99	27.1 Å²	27.1	46%	0.463	14%	0.141	S	C	.	.	H	α-helix	trans	-63.4	-39.8	176.9	-179.1	56.4	-146.4	0	0	111.6	D42 N61 I65 E66 R67 R70	D42-E63 HydrophobicContact CB-CB 4.26Å; D42-E63 HydrophobicContact CB-CG 3.79Å; N61-E63 VanDerWaalsContact C-N 3.28Å; N61-E63 PolarHBondContact O-N 3.04Å; N61-E63 PolarHBondContact OD1-N 3.07Å; E63-I65 VanDerWaalsContact C-N 3.33Å; E63-I65 PolarHBondContact O-N 2.71Å; E63-E66 PolarHBondContact O-N 3.31Å; E63-R67 VanDerWaalsContact O-CB 3.28Å; E63-R67 WeakPolarHBondContact O-CB 3.31Å; E63-R67 PolarHBondContact O-N 3.16Å; E63-R70 IonicContact OE1-CZ 3.74Å; E63-R70 IonicContact OE1-NH2 2.64Å; E63-R70 PolarHBondContact OE1-NH2 3.22Å
64	A	89.5	Confident	86.7	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-66.7	-34	174.6	0	0	0	0	0	112.4	D42 V44 C57 N61 T62 R67 I68	D42-A64 VanDerWaalsContact C-CB 3.49Å; D42-A64 HydrophobicContact CB-CB 4.47Å; V44-A64 HydrophobicContact CG2-CB 4.36Å; C57-A64 HydrophobicContact CB-CB 3.5Å; C57-A64 VanDerWaalsContact CB-CB 3.5Å; N61-A64 HydrophobicContact CB-CB 3.96Å; N61-A64 WeakPolarHBondContact O-CB 3.24Å; N61-A64 PolarHBondContact O-N 3.19Å; N61-A64 WeakPolarHBondContact OD1-CB 3.34Å; N61-A64 PolarHBondContact OD1-N 3.44Å; T62-A64 VanDerWaalsContact C-N 3.34Å; T62-A64 PolarHBondContact O-N 2.72Å; A64-R67 WeakPolarHBondContact O-CB 3.41Å; A64-R67 PolarHBondContact O-N 3.03Å; A64-I68 WeakPolarHBondContact O-CG1 3.39Å; A64-I68 PolarHBondContact O-N 3.44Å
65	I	90	Very high	86.1	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-65.4	-45.7	173.7	-59.3	174.6	0	0	0	110.2	N61 T62 E63 R67 I68 R69 M80 L132 V191	N61-I65 WeakPolarHBondContact O-CG1 3.44Å; N61-I65 PolarHBondContact O-N 2.82Å; N61-I65 VanDerWaalsContact O-N 3.09Å; T62-I65 WeakPolarHBondContact O-CB 3.35Å; T62-I65 PolarHBondContact O-N 2.75Å; T62-I65 VanDerWaalsContact O-N 3.15Å; E63-I65 VanDerWaalsContact C-N 3.33Å; E63-I65 PolarHBondContact O-N 2.71Å; I65-R67 VanDerWaalsContact C-N 3.32Å; I65-R67 PolarHBondContact O-N 2.8Å; I65-I68 PolarHBondContact O-N 2.76Å; I65-R69 PolarHBondContact O-N 2.84Å; I65-M80 HydrophobicContact CG2-CE 3.58Å; I65-L132 HydrophobicContact CD1-CD1 4.49Å; I65-L132 HydrophobicContact CG2-CD1 3.99Å; I65-V191 HydrophobicContact CD1-CG2 3.98Å; I65-V191 HydrophobicContact CG1-CG2 3.94Å
66	E	87.1	Confident	85.3	Confident	55 Å²	55	38.5 Å²	38.5	26%	0.257	20%	0.199	S	C	.	.	H	α-helix	trans	-63.8	-36.7	173.8	-72	-47.1	134.8	0	0	112.7	T62 E63 I68 R69 R70	T62-E66 PolarHBondContact O-N 2.78Å; E63-E66 PolarHBondContact O-N 3.31Å; E66-I68 VanDerWaalsContact C-N 3.35Å; E66-R69 WeakPolarHBondContact O-CB 3.39Å; E66-R69 PolarHBondContact O-N 3.34Å; E66-R69 WeakPolarHBondContact OE1-CD 3.49Å; E66-R69 IonicContact OE1-CZ 2.71Å; E66-R69 IonicContact OE1-NE 2.78Å; E66-R69 IonicContact OE1-NH1 3.76Å; E66-R69 PolarHBondContact OE1-NH1 3.17Å; E66-R69 VanDerWaalsContact OE2-CD 3.23Å; E66-R69 WeakPolarHBondContact OE2-CD 3.31Å; E66-R70 WeakPolarHBondContact O-CB 3.36Å; E66-R70 WeakPolarHBondContact O-CG 3.5Å; E66-R70 PolarHBondContact O-N 3.42Å; E66-R70 PolarHBondContact O-NE 2.91Å
67	R	86.4	Confident	84.3	Confident	32 Å²	32	43.7 Å²	43.7	12%	0.121	23%	0.232	C	C	.	.	H	α-helix	trans	-61.7	-41.6	172.6	-175.1	168.1	169.1	147.6	-15.9	111.4	D42 V44 E63 A64 I65 R70 I71 I220 T221	D42-R67 IonicContact OD1-CZ 3.43Å; D42-R67 IonicContact OD1-NH1 2.74Å; D42-R67 PolarHBondContact OD1-NH1 3.18Å; D42-R67 IonicContact OD1-NH2 3.11Å; D42-R67 WeakPolarHBondContact OD2-CD 3.38Å; D42-R67 IonicContact OD2-CZ 3.46Å; D42-R67 IonicContact OD2-NE 3.73Å; D42-R67 IonicContact OD2-NH1 2.61Å; D42-R67 PolarHBondContact OD2-NH1 2.9Å; V44-R67 HydrophobicContact CG2-CB 4.11Å; V44-R67 HydrophobicContact CG2-CG 3.86Å; E63-R67 VanDerWaalsContact O-CB 3.28Å; E63-R67 WeakPolarHBondContact O-CB 3.31Å; E63-R67 PolarHBondContact O-N 3.16Å; A64-R67 WeakPolarHBondContact O-CB 3.41Å; A64-R67 PolarHBondContact O-N 3.03Å; I65-R67 VanDerWaalsContact C-N 3.32Å; I65-R67 PolarHBondContact O-N 2.8Å; R67-R70 PolarHBondContact O-N 3.33Å; R67-I71 HydrophobicContact CG-CD1 4Å; R67-I71 WeakPolarHBondContact O-CB 3.22Å; R67-I71 WeakPolarHBondContact O-CD1 3.06Å; R67-I71 WeakPolarHBondContact O-CG1 3.28Å; R67-I71 PolarHBondContact O-N 2.8Å; R67-I220 HydrophobicContact CG-CG2 3.69Å; R67-T221 PolarHBondContact NH2-O 3.39Å
68	I	87	Confident	83.7	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-64.1	-44.4	171.9	-69	-176.7	0	0	0	111.5	V44 L55 C57 A64 I65 E66 R70 I71 K72 M80 T193	V44-I68 HydrophobicContact CB-CG1 4.43Å; V44-I68 HydrophobicContact CG1-CD1 4.14Å; V44-I68 HydrophobicContact CG1-CG1 3.76Å; V44-I68 HydrophobicContact CG2-CD1 4.38Å; V44-I68 HydrophobicContact CG2-CG1 3.73Å; L55-I68 HydrophobicContact CB-CD1 4.4Å; C57-I68 HydrophobicContact CB-CD1 3.9Å; C57-I68 VanDerWaalsContact SG-CD1 3.56Å; A64-I68 WeakPolarHBondContact O-CG1 3.39Å; A64-I68 PolarHBondContact O-N 3.44Å; I65-I68 PolarHBondContact O-N 2.76Å; E66-I68 VanDerWaalsContact C-N 3.35Å; I68-R70 VanDerWaalsContact C-N 3.33Å; I68-R70 PolarHBondContact O-N 2.8Å; I68-I71 PolarHBondContact O-N 3.16Å; I68-K72 HydrophobicContact CG2-CG 4.09Å; I68-K72 WeakPolarHBondContact O-CB 3.45Å; I68-K72 VanDerWaalsContact O-CG 3.22Å; I68-K72 WeakPolarHBondContact O-CG 3.39Å; I68-K72 PolarHBondContact O-N 3.08Å; I68-M80 HydrophobicContact CB-SD 4.41Å; I68-M80 HydrophobicContact CG2-CE 4.48Å; I68-M80 HydrophobicContact CG2-SD 3.53Å; I68-M80 VanDerWaalsContact CG2-SD 3.53Å; I68-T193 HydrophobicContact CG2-CG2 3.44Å; I68-T193 VanDerWaalsContact CG2-CG2 3.44Å
69	R	85.9	Confident	83.4	Confident	16 Å²	16	50.1 Å²	50.1	6%	0.06	27%	0.265	C	S	.	.	H	α-helix	trans	-54.7	-48.8	175.7	-74.1	170.6	165.6	131.2	-4.8	110.9	I65 E66 K72 G73 R74 M80 L131	I65-R69 PolarHBondContact O-N 2.84Å; E66-R69 WeakPolarHBondContact O-CB 3.39Å; E66-R69 PolarHBondContact O-N 3.34Å; E66-R69 WeakPolarHBondContact OE1-CD 3.49Å; E66-R69 IonicContact OE1-CZ 2.71Å; E66-R69 IonicContact OE1-NE 2.78Å; E66-R69 IonicContact OE1-NH1 3.76Å; E66-R69 PolarHBondContact OE1-NH1 3.17Å; E66-R69 VanDerWaalsContact OE2-CD 3.23Å; E66-R69 WeakPolarHBondContact OE2-CD 3.31Å; R69-K72 PolarHBondContact O-N 3.43Å; R69-G73 PolarHBondContact O-N 3.13Å; R69-R74 PolarHBondContact O-N 3.09Å; R69-R74 VanDerWaalsContact O-N 3.14Å; R69-M80 HydrophobicContact CG-CE 3.87Å; R69-L131 PolarHBondContact NH2-O 3.09Å; R69-L131 VanDerWaalsContact NH2-O 3.11Å
70	R	85.3	Confident	83.4	Confident	118 Å²	118	50.3 Å²	50.3	45%	0.445	27%	0.266	S	S	.	.	H	α-helix	trans	-59.1	-51.7	174.3	-72.7	179.4	-74.8	149.3	-9.7	112.8	E63 E66 R67 I68 K72 G73	E63-R70 IonicContact OE1-CZ 3.74Å; E63-R70 IonicContact OE1-NH2 2.64Å; E63-R70 PolarHBondContact OE1-NH2 3.22Å; E66-R70 WeakPolarHBondContact O-CB 3.36Å; E66-R70 WeakPolarHBondContact O-CG 3.5Å; E66-R70 PolarHBondContact O-N 3.42Å; E66-R70 PolarHBondContact O-NE 2.91Å; R67-R70 PolarHBondContact O-N 3.33Å; I68-R70 VanDerWaalsContact C-N 3.33Å; I68-R70 PolarHBondContact O-N 2.8Å; R70-K72 PolarHBondContact O-N 3.42Å; R70-G73 PolarHBondContact O-N 2.84Å; R70-G73 VanDerWaalsContact O-N 3.16Å
71	I	80.9	Confident	83.6	Confident	20 Å²	20	48.4 Å²	48.4	10%	0.103	26%	0.261	C	S	.	.	H	α-helix	trans	-57.1	-35.7	178.3	-66.9	157.8	0	0	0	111.8	V44 L55 R67 I68 L197 I220 V222	V44-I71 HydrophobicContact CB-CD1 4.42Å; V44-I71 HydrophobicContact CG1-CD1 3.98Å; V44-I71 HydrophobicContact CG2-CD1 4.41Å; L55-I71 HydrophobicContact CD1-CB 4.31Å; L55-I71 HydrophobicContact CD1-CG2 3.53Å; R67-I71 HydrophobicContact CG-CD1 4Å; R67-I71 WeakPolarHBondContact O-CB 3.22Å; R67-I71 WeakPolarHBondContact O-CD1 3.06Å; R67-I71 WeakPolarHBondContact O-CG1 3.28Å; R67-I71 PolarHBondContact O-N 2.8Å; I68-I71 PolarHBondContact O-N 3.16Å; I71-L197 WeakPolarHBondContact O-CD2 3.38Å; I71-I220 HydrophobicContact CD1-CG2 3.71Å; I71-I220 HydrophobicContact CG1-CB 4.44Å; I71-I220 HydrophobicContact CG1-CD1 4.03Å; I71-I220 HydrophobicContact CG1-CG2 3.68Å; I71-V222 HydrophobicContact CD1-CG2 3.7Å
72	K	76.6	Confident	83.9	Confident	2 Å²	2	47.1 Å²	47.1	1%	0.009	25%	0.254	C	S	.	.	H	α-helix	trans	-83.7	-12	-177	-63.3	-73.7	77.6	159.3	0	114.5	L55 I68 R69 R70 R74 T193 S194 N196 S198	L55-K72 HydrophobicContact CD1-CD 4.16Å; L55-K72 VanDerWaalsContact CD1-CE 3.5Å; L55-K72 VanDerWaalsContact CD1-NZ 3.34Å; I68-K72 HydrophobicContact CG2-CG 4.09Å; I68-K72 WeakPolarHBondContact O-CB 3.45Å; I68-K72 VanDerWaalsContact O-CG 3.22Å; I68-K72 WeakPolarHBondContact O-CG 3.39Å; I68-K72 PolarHBondContact O-N 3.08Å; R69-K72 PolarHBondContact O-N 3.43Å; R70-K72 PolarHBondContact O-N 3.42Å; K72-R74 HydrophobicContact CB-CB 4.25Å; K72-R74 HydrophobicContact CB-CG 3.6Å; K72-R74 HydrophobicContact CG-CG 4.48Å; K72-R74 PolarHBondContact O-N 3.01Å; K72-T193 HydrophobicContact CD-CG2 3.84Å; K72-T193 HydrophobicContact CG-CG2 4.03Å; K72-S194 PolarHBondContact NZ-O 3.08Å; K72-S194 VanDerWaalsContact NZ-O 3.07Å; K72-N196 VanDerWaalsContact CD-O 3.31Å; K72-N196 WeakPolarHBondContact CD-O 3.4Å; K72-N196 WeakPolarHBondContact CE-O 3.27Å; K72-N196 VanDerWaalsContact NZ-C 3.27Å; K72-N196 VanDerWaalsContact NZ-N 3.15Å; K72-N196 PolarHBondContact NZ-O 2.8Å; K72-S198 PolarHBondContact O-N 3.24Å; K72-S198 VanDerWaalsContact O-N 3.11Å
73	G	77.3	Confident	84.2	Confident	62 Å²	62	44.6 Å²	44.6	64%	0.639	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.1	39.5	-166.2	0	0	0	0	0	111.7	R69 R70	R69-G73 PolarHBondContact O-N 3.13Å; R70-G73 PolarHBondContact O-N 2.84Å; R70-G73 VanDerWaalsContact O-N 3.16Å
74	R	70.1	Confident	84.6	Confident	44 Å²	44	39.9 Å²	39.9	17%	0.166	22%	0.217	C	C	.	.			trans	-90.2	144.1	179.9	-80.7	174.5	175.6	-128.6	7.4	110.3	R69 K72 K78 P79 T193	R69-R74 PolarHBondContact O-N 3.09Å; R69-R74 VanDerWaalsContact O-N 3.14Å; K72-R74 HydrophobicContact CB-CB 4.25Å; K72-R74 HydrophobicContact CB-CG 3.6Å; K72-R74 HydrophobicContact CG-CG 4.48Å; K72-R74 PolarHBondContact O-N 3.01Å; R74-K78 HydrophobicContact CG-CB 4.47Å; R74-K78 HydrophobicContact CG-CD 4.22Å; R74-K78 PolarHBondContact NH1-O 3.25Å; R74-P79 PolarHBondContact NH1-O 2.64Å; R74-T193 PolarHBondContact NH2-OG1 3.21Å
75	S	75.2	Confident	84.9	Confident	66 Å²	66	40.4 Å²	40.4	46%	0.462	22%	0.219	S	C	.	.			trans	-62.2	146.9	157	60.6	0	0	0	0	109.7	T77 K78	S75-T77 WeakPolarHBondContact CB-OG1 3.16Å; S75-T77 PolarHBondContact O-N 3.32Å; S75-T77 VanDerWaalsContact O-N 3.09Å; S75-T77 PolarHBondContact OG-OG1 2.89Å; S75-K78 PolarHBondContact O-N 3.41Å
76	E	72.3	Confident	85.2	Confident	148 Å²	148	44.2 Å²	44.2	69%	0.692	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-29.4	175.2	-66.3	169.4	-165	0	0	112.4	K78	E76-K78 VanDerWaalsContact C-N 3.34Å; E76-K78 PolarHBondContact O-N 2.95Å
77	T	72.9	Confident	85.6	Confident	110 Å²	110	43.2 Å²	43.2	68%	0.675	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74	-9.7	178.5	58	0	0	0	0	115.4	S75 P79	S75-T77 WeakPolarHBondContact CB-OG1 3.16Å; S75-T77 PolarHBondContact O-N 3.32Å; S75-T77 VanDerWaalsContact O-N 3.09Å; S75-T77 PolarHBondContact OG-OG1 2.89Å; T77-P79 VanDerWaalsContact O-CD 3.3Å; T77-P79 WeakPolarHBondContact O-CD 3.3Å
78	K	81.5	Confident	86	Confident	82 Å²	82	44.9 Å²	44.9	36%	0.357	25%	0.251	S	S	.	.	S	Bend	trans	-89.9	109.3	-177.1	-175.7	165.8	173	171.9	0	111.2	R74 S75 E76 S198	R74-K78 HydrophobicContact CG-CB 4.47Å; R74-K78 HydrophobicContact CG-CD 4.22Å; R74-K78 PolarHBondContact NH1-O 3.25Å; S75-K78 PolarHBondContact O-N 3.41Å; E76-K78 VanDerWaalsContact C-N 3.34Å; E76-K78 PolarHBondContact O-N 2.95Å; K78-S198 PolarHBondContact NZ-OG 3.47Å
79	P	87.4	Confident	86.4	Confident	58 Å²	58	45.2 Å²	45.2	38%	0.377	25%	0.253	S	S	.	.			trans	-60.6	145.6	-170.2	21.2	-33.6	0	0	0	113.7	R74 T77 N133	R74-P79 PolarHBondContact NH1-O 2.64Å; T77-P79 VanDerWaalsContact O-CD 3.3Å; T77-P79 WeakPolarHBondContact O-CD 3.3Å; P79-N133 VanDerWaalsContact CA-OD1 3.28Å; P79-N133 WeakPolarHBondContact CA-OD1 3.46Å; P79-N133 HydrophobicContact CB-CB 4.26Å
80	M	91.3	Very high	86.8	Confident	4 Å²	4	44.5 Å²	44.5	2%	0.02	25%	0.25	C	S	.	.			trans	-109.7	146.8	169.4	-66.6	-174.8	-72.6	0	0	110.2	I65 I68 R69 L132 N133 V191 T193	I65-M80 HydrophobicContact CG2-CE 3.58Å; I68-M80 HydrophobicContact CB-SD 4.41Å; I68-M80 HydrophobicContact CG2-CE 4.48Å; I68-M80 HydrophobicContact CG2-SD 3.53Å; I68-M80 VanDerWaalsContact CG2-SD 3.53Å; R69-M80 HydrophobicContact CG-CE 3.87Å; M80-L132 HydrophobicContact CB-CD1 4.46Å; M80-L132 HydrophobicContact CE-CD1 4.18Å; M80-N133 PolarHBondContact N-OD1 3.11Å; M80-N133 PolarHBondContact O-ND2 3.2Å; M80-V191 HydrophobicContact CB-CG1 3.74Å; M80-V191 HydrophobicContact CE-CG1 3.96Å; M80-V191 HydrophobicContact CG-CG1 4.38Å; M80-V191 HydrophobicContact SD-CG1 3.84Å; M80-T193 HydrophobicContact SD-CG2 4.32Å
81	A	93.2	Very high	87.2	Confident	20 Å²	20	41.6 Å²	41.6	17%	0.165	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	159.2	173.1	0	0	0	0	0	110.1	T113 G140 L192	A81-T113 HydrophobicContact CB-CG2 4.12Å; A81-G140 CarbonylContact C-O 3.6Å; A81-G140 WeakPolarHBondContact CA-O 3.41Å; A81-G140 VanDerWaalsContact CB-O 3.24Å; A81-G140 WeakPolarHBondContact CB-O 3.4Å; A81-L192 PolarHBondContact O-N 3.47Å
82	I	95.3	Very high	87.8	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	152.3	162.6	62.8	165.1	0	0	0	110.7	V59 W93 L127 L132 V139 G140 I141 R142 P189 L190 V191	V59-I82 HydrophobicContact CG2-CG2 4.25Å; I82-W93 HydrophobicContact CD1-CB 3.83Å; I82-W93 HydrophobicContact CD1-CD2 4.33Å; I82-W93 HydrophobicContact CD1-CG 3.97Å; I82-L127 HydrophobicContact CD1-CD1 4.39Å; I82-L127 HydrophobicContact CD1-CD2 4.35Å; I82-L127 HydrophobicContact CG2-CD2 4.34Å; I82-L132 HydrophobicContact CG2-CD2 3.51Å; I82-V139 HydrophobicContact CG1-CG2 4.31Å; I82-G140 PolarHBondContact N-O 2.93Å; I82-I141 HydrophobicContact CD1-CD1 3.57Å; I82-I141 HydrophobicContact CG1-CD1 3.27Å; I82-R142 PolarHBondContact O-N 2.81Å; I82-P189 HydrophobicContact CB-CB 4.11Å; I82-P189 HydrophobicContact CD1-CB 4Å; I82-P189 HydrophobicContact CD1-CG 4.21Å; I82-L190 CarbonylContact C-O 3.51Å; I82-L190 VanDerWaalsContact CA-O 3.26Å; I82-L190 WeakPolarHBondContact CA-O 3.26Å; I82-V191 HydrophobicContact CG2-CG2 4.43Å
83	C	95.2	Very high	88.6	Confident	1 Å²	1	43.5 Å²	43.5	1%	0.007	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	130.7	-179.4	-174.7	0	0	0	0	109.2	R142 P144 I153 P189 L190 L192	C83-R142 CarbonylContact C-O 3.53Å; C83-R142 VanDerWaalsContact CA-O 3.26Å; C83-R142 WeakPolarHBondContact CA-O 3.49Å; C83-P144 WeakPolarHBondContact SG-CD 3.48Å; C83-I153 HydrophobicContact CB-CD1 4.26Å; C83-I153 VanDerWaalsContact SG-CD1 3.58Å; C83-P189 WeakPolarHBondContact O-CA 3.36Å; C83-L190 HydrophobicContact CB-CB 4.3Å; C83-L190 PolarHBondContact N-O 3.37Å; C83-L190 PolarHBondContact O-N 3.2Å; C83-L190 VanDerWaalsContact O-N 3.08Å; C83-L192 HydrophobicContact CB-CB 3.79Å; C83-L192 HydrophobicContact CB-CD2 3.77Å; C83-L192 HydrophobicContact CB-CG 4.39Å
84	L	96.2	Very high	89.3	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.226	C	C	.	.			trans	-119.6	164.5	177.7	-70	167.9	0	0	0	110.6	H89 I90 I141 R142 I143 P189	L84-H89 HydrophobicContact CD1-CB 4.21Å; L84-H89 HydrophobicContact CD2-CB 3.98Å; L84-I90 HydrophobicContact CD1-CB 4.41Å; L84-I90 HydrophobicContact CD1-CG1 3.77Å; L84-I141 HydrophobicContact CD1-CG2 4.15Å; L84-R142 PolarHBondContact N-O 3.5Å; L84-I143 HydrophobicContact CB-CD1 4.33Å; L84-I143 HydrophobicContact CB-CG1 3.96Å; L84-P189 HydrophobicContact CD2-CB 3.99Å; L84-P189 HydrophobicContact CD2-CG 3.78Å
85	D	95.8	Very high	90.4	Very high	10 Å²	10	40.3 Å²	40.3	5%	0.053	23%	0.228	C	C	.	.	S	Bend	trans	-89.9	-28	174.2	52.9	-19	0	0	0	113.7	H89 R150 I153	D85-H89 IonicContact OD1-CE1 3.22Å; D85-H89 PolarHBondContact OD1-CE1 2.86Å; D85-H89 VanDerWaalsContact OD1-CE1 3.24Å; D85-H89 IonicContact OD1-CG 3.39Å; D85-H89 IonicContact OD1-ND1 3.85Å; D85-H89 PolarHBondContact OD1-ND1 3.48Å; D85-H89 IonicContact OD2-CE1 2.69Å; D85-H89 PolarHBondContact OD2-CE1 2.76Å; D85-H89 IonicContact OD2-ND1 2.9Å; D85-R150 HydrophobicContact CB-CB 4.44Å; D85-R150 VanDerWaalsContact O-CZ 3.31Å; D85-R150 PolarHBondContact O-NE 3.37Å; D85-R150 PolarHBondContact O-NH2 3.33Å; D85-I153 HydrophobicContact CB-CB 3.9Å; D85-I153 HydrophobicContact CB-CG2 3.59Å
86	Q	95.4	Very high	91.3	Very high	81 Å²	81	39 Å²	39	38%	0.379	22%	0.217	S	C	.	.			trans	-150.3	151.3	-179	57.3	175.5	-1.4	0	0	114.2	S88 H89	Q86-S88 VanDerWaalsContact C-N 3.29Å; Q86-S88 VanDerWaalsContact CG-OG 3.32Å; Q86-S88 WeakPolarHBondContact CG-OG 3.47Å; Q86-S88 PolarHBondContact NE2-OG 2.89Å; Q86-S88 PolarHBondContact O-N 3.27Å; Q86-S88 PolarHBondContact OE1-OG 3Å; Q86-H89 HydrophobicContact CG-CB 4.43Å; Q86-H89 WeakPolarHBondContact CG-ND1 3.49Å; Q86-H89 PolarHBondContact NE2-CE1 3.13Å; Q86-H89 PolarHBondContact NE2-NE2 2.83Å; Q86-H89 PolarHBondContact O-N 3.44Å
87	V	96	Very high	92.3	Very high	33 Å²	33	40.5 Å²	40.5	20%	0.2	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-63.4	-33.9	-176.5	177.2	0	0	0	0	112	H89 I90 L104 L108 I143	V87-H89 PolarHBondContact O-N 2.98Å; V87-I90 HydrophobicContact CB-CD1 4.44Å; V87-I90 HydrophobicContact CG1-CD1 4.11Å; V87-I90 WeakPolarHBondContact O-CB 3.32Å; V87-I90 VanDerWaalsContact O-CG1 3.25Å; V87-I90 WeakPolarHBondContact O-CG1 3.29Å; V87-I90 PolarHBondContact O-N 2.95Å; V87-L104 HydrophobicContact CG1-CB 3.72Å; V87-L108 HydrophobicContact CG2-CB 3.97Å; V87-L108 WeakPolarHBondContact CG2-O 3.34Å; V87-I143 HydrophobicContact CB-CD1 4.35Å; V87-I143 HydrophobicContact CG2-CD1 3.77Å
88	S	94.5	Very high	93.2	Very high	67 Å²	67	41.8 Å²	41.8	47%	0.469	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-62.8	-20.7	177	48.2	0	0	0	0	114.3	Q86 S91	Q86-S88 VanDerWaalsContact C-N 3.29Å; Q86-S88 VanDerWaalsContact CG-OG 3.32Å; Q86-S88 WeakPolarHBondContact CG-OG 3.47Å; Q86-S88 PolarHBondContact NE2-OG 2.89Å; Q86-S88 PolarHBondContact O-N 3.27Å; Q86-S88 PolarHBondContact OE1-OG 3Å; S88-S91 PolarHBondContact O-OG 3.06Å
89	H	95.2	Very high	93.7	Very high	7 Å²	7	40.1 Å²	40.1	3%	0.032	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-78.5	-20.3	173.6	-71.4	157	0	0	0	112.9	L84 D85 Q86 V87 S91 H92 S185 G186	L84-H89 HydrophobicContact CD1-CB 4.21Å; L84-H89 HydrophobicContact CD2-CB 3.98Å; D85-H89 IonicContact OD1-CE1 3.22Å; D85-H89 PolarHBondContact OD1-CE1 2.86Å; D85-H89 VanDerWaalsContact OD1-CE1 3.24Å; D85-H89 IonicContact OD1-CG 3.39Å; D85-H89 IonicContact OD1-ND1 3.85Å; D85-H89 PolarHBondContact OD1-ND1 3.48Å; D85-H89 IonicContact OD2-CE1 2.69Å; D85-H89 PolarHBondContact OD2-CE1 2.76Å; D85-H89 IonicContact OD2-ND1 2.9Å; Q86-H89 HydrophobicContact CG-CB 4.43Å; Q86-H89 WeakPolarHBondContact CG-ND1 3.49Å; Q86-H89 PolarHBondContact NE2-CE1 3.13Å; Q86-H89 PolarHBondContact NE2-NE2 2.83Å; Q86-H89 PolarHBondContact O-N 3.44Å; V87-H89 PolarHBondContact O-N 2.98Å; H89-S91 VanDerWaalsContact C-N 3.3Å; H89-S91 PolarHBondContact O-N 3.47Å; H89-H92 WeakPolarHBondContact O-CB 3.09Å; H89-H92 PolarHBondContact O-N 3.4Å; H89-S185 PolarHBondContact CD2-O 3.3Å; H89-G186 WeakPolarHBondContact CB-O 3.47Å
90	I	95.1	Very high	94	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-58.5	-40.8	-172.5	-60.7	178.2	0	0	0	112.2	L84 V87 H92 W93 C94 T96 L104 L108 L116 I141 I143	L84-I90 HydrophobicContact CD1-CB 4.41Å; L84-I90 HydrophobicContact CD1-CG1 3.77Å; V87-I90 HydrophobicContact CB-CD1 4.44Å; V87-I90 HydrophobicContact CG1-CD1 4.11Å; V87-I90 WeakPolarHBondContact O-CB 3.32Å; V87-I90 VanDerWaalsContact O-CG1 3.25Å; V87-I90 WeakPolarHBondContact O-CG1 3.29Å; V87-I90 PolarHBondContact O-N 2.95Å; I90-H92 PolarHBondContact O-N 3.39Å; I90-H92 VanDerWaalsContact O-N 3.09Å; I90-W93 PolarHBondContact O-N 3.23Å; I90-C94 HydrophobicContact CG2-CB 4.35Å; I90-C94 PolarHBondContact O-N 2.93Å; I90-C94 VanDerWaalsContact O-N 3.11Å; I90-T96 HydrophobicContact CG2-CG2 3.9Å; I90-L104 HydrophobicContact CD1-CB 4.46Å; I90-L104 HydrophobicContact CD1-CD1 4.23Å; I90-L104 HydrophobicContact CG2-CD1 4.16Å; I90-L108 HydrophobicContact CD1-CD1 3.73Å; I90-L116 HydrophobicContact CG2-CD1 3.38Å; I90-I141 HydrophobicContact CD1-CG2 3.99Å; I90-I141 HydrophobicContact CG1-CG2 3.96Å; I90-I141 HydrophobicContact CG2-CG1 4.47Å; I90-I141 HydrophobicContact CG2-CG2 4.41Å; I90-I143 HydrophobicContact CD1-CD1 3.98Å; I90-I143 HydrophobicContact CG1-CD1 4.28Å
91	S	93.8	Very high	94.1	Very high	58 Å²	58	48.6 Å²	48.6	41%	0.406	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-64.7	-9.3	-179.9	54.4	0	0	0	0	114.8	S88 H89 T96	S88-S91 PolarHBondContact O-OG 3.06Å; H89-S91 VanDerWaalsContact C-N 3.3Å; H89-S91 PolarHBondContact O-N 3.47Å; S91-T96 WeakPolarHBondContact CB-OG1 3.44Å
92	H	92.6	Very high	94.1	Very high	62 Å²	62	49.1 Å²	49.1	29%	0.287	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-88.4	-19.1	172.4	-64.9	80.9	0	0	0	112.8	H89 I90 P126 S185	H89-H92 WeakPolarHBondContact O-CB 3.09Å; H89-H92 PolarHBondContact O-N 3.4Å; I90-H92 PolarHBondContact O-N 3.39Å; I90-H92 VanDerWaalsContact O-N 3.09Å; H92-P126 WeakPolarHBondContact O-CG 3.11Å; H92-S185 PolarHBondContact CD2-OG 2.73Å; H92-S185 WeakPolarHBondContact NE2-CB 3.46Å; H92-S185 PolarHBondContact NE2-OG 3.13Å
93	W	93.5	Very high	94	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.9	-8	-174	-59.1	94.4	0	0	0	113.5	V59 F60 I82 I90 P126 L127 G186 P189	V59-W93 HydrophobicContact CG1-CH2 4.02Å; V59-W93 HydrophobicContact CG1-CZ3 4.15Å; F60-W93 HydrophobicContact CE1-CH2 4.3Å; F60-W93 HydrophobicContact CE2-CH2 4.45Å; F60-W93 AromaticContact CZ-CH2 3.84Å; F60-W93 HydrophobicContact CZ-CH2 3.84Å; F60-W93 HydrophobicContact CZ-CZ2 4.18Å; I82-W93 HydrophobicContact CD1-CB 3.83Å; I82-W93 HydrophobicContact CD1-CD2 4.33Å; I82-W93 HydrophobicContact CD1-CG 3.97Å; I90-W93 PolarHBondContact O-N 3.23Å; W93-P126 HydrophobicContact CE3-CB 3.81Å; W93-P126 HydrophobicContact CE3-CG 4.49Å; W93-P126 HydrophobicContact CH2-CB 4.32Å; W93-P126 HydrophobicContact CZ3-CB 3.61Å; W93-L127 HydrophobicContact CE3-CD2 3.5Å; W93-L127 VanDerWaalsContact CE3-CD2 3.5Å; W93-L127 HydrophobicContact CE3-CG 3.98Å; W93-L127 HydrophobicContact CZ3-CD2 3.87Å; W93-G186 PolarHBondContact NE1-O 3.14Å; W93-P189 HydrophobicContact CD2-CG 3.6Å; W93-P189 HydrophobicContact CE3-CG 4.03Å; W93-P189 HydrophobicContact CG-CG 4.23Å; W93-P189 HydrophobicContact CH2-CG 3.74Å; W93-P189 HydrophobicContact CZ2-CG 3.29Å; W93-P189 HydrophobicContact CZ3-CG 4.08Å
94	C	92.3	Very high	94.1	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	30%	0.302	C	S	.	.	S	Bend	trans	-145.6	152.3	-176.6	-65.8	0	0	0	0	110.8	I90 T96 L116 F119 V139 I141	I90-C94 HydrophobicContact CG2-CB 4.35Å; I90-C94 PolarHBondContact O-N 2.93Å; I90-C94 VanDerWaalsContact O-N 3.11Å; C94-T96 HydrophobicContact CB-CG2 4.41Å; C94-T96 PolarHBondContact O-N 2.99Å; C94-L116 HydrophobicContact CB-CB 3.9Å; C94-L116 HydrophobicContact CB-CD1 4.11Å; C94-F119 VanDerWaalsContact C-CZ 3.5Å; C94-F119 VanDerWaalsContact O-CZ 3.23Å; C94-F119 WeakPolarHBondContact O-CZ 3.44Å; C94-V139 WeakPolarHBondContact SG-CG1 3.27Å; C94-I141 VanDerWaalsContact SG-CD1 3.57Å; C94-I141 VanDerWaalsContact SG-CG1 3.59Å
95	D	93.6	Very high	94	Very high	39 Å²	39	57.1 Å²	57.1	21%	0.209	33%	0.327	C	S	.	.			trans	-72.8	108.6	164.7	178.9	8.6	0	0	0	109.3	K97 P117 F119	D95-K97 WeakPolarHBondContact OD1-CB 3.45Å; D95-K97 PolarHBondContact OD1-N 3.4Å; D95-P117 HydrophobicContact CB-CG 4.22Å; D95-P117 PolarHBondContact N-O 3Å; D95-P117 WeakPolarHBondContact O-CG 3.44Å; D95-F119 HydrophobicContact CB-CD1 4.17Å; D95-F119 HydrophobicContact CB-CE1 4.44Å
96	T	93.9	Very high	94	Very high	38 Å²	38	62.9 Å²	62.9	23%	0.233	36%	0.358	C	S	.	.			trans	-103.1	6.4	174.7	61	0	0	0	0	113	I90 S91 C94 N98 I99 L104 L116	I90-T96 HydrophobicContact CG2-CG2 3.9Å; S91-T96 WeakPolarHBondContact CB-OG1 3.44Å; C94-T96 HydrophobicContact CB-CG2 4.41Å; C94-T96 PolarHBondContact O-N 2.99Å; T96-N98 VanDerWaalsContact C-N 3.25Å; T96-N98 PolarHBondContact O-N 2.91Å; T96-I99 WeakPolarHBondContact O-CB 3.29Å; T96-I99 PolarHBondContact O-N 3.06Å; T96-L104 HydrophobicContact CG2-CD1 3.99Å; T96-L116 HydrophobicContact CG2-CD1 4.43Å
97	K	92.6	Very high	93.9	Very high	180 Å²	180	62.7 Å²	62.7	78%	0.783	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-33.9	-171.7	-175.6	178.5	178	179.3	0	113.6	D95	D95-K97 WeakPolarHBondContact OD1-CB 3.45Å; D95-K97 PolarHBondContact OD1-N 3.4Å
98	N	92.3	Very high	93.9	Very high	136 Å²	136	61.3 Å²	61.3	73%	0.727	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	10.7	-179.1	-58.1	-47	0	0	0	113.1	T96	T96-N98 VanDerWaalsContact C-N 3.25Å; T96-N98 PolarHBondContact O-N 2.91Å
99	I	92.8	Very high	93.9	Very high	48 Å²	48	60.9 Å²	60.9	25%	0.246	35%	0.346	C	S	.	.	S	Bend	trans	-93.5	128.3	179	-55.3	-61.4	0	0	0	108.9	T96 T101 L103 L104 L116	T96-I99 WeakPolarHBondContact O-CB 3.29Å; T96-I99 PolarHBondContact O-N 3.06Å; I99-T101 PolarHBondContact O-N 3.28Å; I99-L103 HydrophobicContact CG2-CD2 4.34Å; I99-L104 HydrophobicContact CG2-CD1 4.21Å; I99-L104 HydrophobicContact CG2-CD2 4.15Å; I99-L104 HydrophobicContact CG2-CG 3.86Å; I99-L116 HydrophobicContact CD1-CD2 3.98Å; I99-L116 HydrophobicContact CG1-CD2 4.34Å
100	P	93.7	Very high	93.7	Very high	86 Å²	86	60.9 Å²	60.9	56%	0.558	35%	0.348	S	S	*	.	P	Polyproline II helix	trans	-55.8	135.8	177.2	-26.7	34.6	0	0	0	112.7	G102 L103	P100-G102 PolarHBondContact O-N 3.37Å; P100-L103 HydrophobicContact CB-CB 4.3Å; P100-L103 HydrophobicContact CG-CD2 4.3Å; P100-L103 WeakPolarHBondContact O-CB 3.48Å; P100-L103 PolarHBondContact O-N 3.48Å
101	T	92.4	Very high	93.4	Very high	153 Å²	153	65 Å²	65	94%	0.939	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	133.8	173.5	-49.3	0	0	0	0	110.3	I99 L103	I99-T101 PolarHBondContact O-N 3.28Å; T101-L103 PolarHBondContact O-N 3.06Å
102	G	93.5	Very high	93.2	Very high	31 Å²	31	65.1 Å²	65.1	32%	0.32	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.7	-38.6	-177.2	0	0	0	0	0	114.3	P100 L104 S105 D106	P100-G102 PolarHBondContact O-N 3.37Å; G102-L104 VanDerWaalsContact C-N 3.28Å; G102-L104 PolarHBondContact O-N 2.93Å; G102-S105 CarbonylContact O-C 3.58Å; G102-S105 WeakPolarHBondContact O-CA 3.32Å; G102-S105 WeakPolarHBondContact O-CB 3.43Å; G102-S105 PolarHBondContact O-N 3.46Å; G102-D106 PolarHBondContact O-N 3.07Å
103	L	94.4	Very high	93.2	Very high	73 Å²	73	65.3 Å²	65.3	38%	0.382	38%	0.378	S	S	.	.	H	α-helix	trans	-54.7	-38	-170.6	-179.5	63.1	0	0	0	114.5	I99 P100 T101 L107	I99-L103 HydrophobicContact CG2-CD2 4.34Å; P100-L103 HydrophobicContact CB-CB 4.3Å; P100-L103 HydrophobicContact CG-CD2 4.3Å; P100-L103 WeakPolarHBondContact O-CB 3.48Å; P100-L103 PolarHBondContact O-N 3.48Å; T101-L103 PolarHBondContact O-N 3.06Å; L103-L107 HydrophobicContact CD1-CD1 4.01Å; L103-L107 HydrophobicContact CD1-CG 4.39Å; L103-L107 HydrophobicContact CG-CD1 4.15Å; L103-L107 VanDerWaalsContact O-CG 3.28Å; L103-L107 WeakPolarHBondContact O-CG 3.39Å; L103-L107 PolarHBondContact O-N 2.91Å
104	L	95.6	Very high	93.2	Very high	22 Å²	22	66.2 Å²	66.2	12%	0.115	38%	0.384	C	S	.	.	H	α-helix	trans	-71	-33	176.7	-63.2	177.3	0	0	0	112.5	V87 I90 T96 I99 G102 L108 V114 L116	V87-L104 HydrophobicContact CG1-CB 3.72Å; I90-L104 HydrophobicContact CD1-CB 4.46Å; I90-L104 HydrophobicContact CD1-CD1 4.23Å; I90-L104 HydrophobicContact CG2-CD1 4.16Å; T96-L104 HydrophobicContact CG2-CD1 3.99Å; I99-L104 HydrophobicContact CG2-CD1 4.21Å; I99-L104 HydrophobicContact CG2-CD2 4.15Å; I99-L104 HydrophobicContact CG2-CG 3.86Å; G102-L104 VanDerWaalsContact C-N 3.28Å; G102-L104 PolarHBondContact O-N 2.93Å; L104-L108 VanDerWaalsContact O-CB 3.29Å; L104-L108 WeakPolarHBondContact O-CB 3.23Å; L104-L108 PolarHBondContact O-N 2.91Å; L104-V114 HydrophobicContact CD2-CG2 4.29Å; L104-L116 HydrophobicContact CD1-CD1 4.43Å; L104-L116 HydrophobicContact CD2-CD1 4.17Å; L104-L116 HydrophobicContact CD2-CD2 4.19Å
105	S	95.9	Very high	93.3	Very high	75 Å²	75	70.8 Å²	70.8	52%	0.524	41%	0.408	S	S	.	.	H	α-helix	trans	-74.9	-29.8	176	-53.8	0	0	0	0	112.5	G102 L107 L108	G102-S105 CarbonylContact O-C 3.58Å; G102-S105 WeakPolarHBondContact O-CA 3.32Å; G102-S105 WeakPolarHBondContact O-CB 3.43Å; G102-S105 PolarHBondContact O-N 3.46Å; S105-L107 VanDerWaalsContact C-N 3.3Å; S105-L108 VanDerWaalsContact O-O 3.11Å
106	D	94.9	Very high	93.3	Very high	131 Å²	131	69.3 Å²	69.3	70%	0.701	40%	0.4	S	S	*	.	H	α-helix	trans	-72.9	-25.7	175	-58.8	-31.5	0	0	0	112	G102	G102-D106 PolarHBondContact O-N 3.07Å
107	L	92.9	Very high	93.2	Very high	77 Å²	77	70 Å²	70	40%	0.403	41%	0.405	S	S	.	.	H	α-helix	trans	-98.6	-21.1	-179.2	-67.5	174.1	0	0	0	114.1	L103 S105 V112 V114	L103-L107 HydrophobicContact CD1-CD1 4.01Å; L103-L107 HydrophobicContact CD1-CG 4.39Å; L103-L107 HydrophobicContact CG-CD1 4.15Å; L103-L107 VanDerWaalsContact O-CG 3.28Å; L103-L107 WeakPolarHBondContact O-CG 3.39Å; L103-L107 PolarHBondContact O-N 2.91Å; S105-L107 VanDerWaalsContact C-N 3.3Å; L107-V112 HydrophobicContact CB-CG2 4.48Å; L107-V112 WeakPolarHBondContact O-CG2 3.3Å; L107-V114 HydrophobicContact CB-CG1 4.4Å; L107-V114 HydrophobicContact CD1-CG1 4.09Å
108	L	95.4	Very high	93.2	Very high	3 Å²	3	62.2 Å²	62.2	2%	0.016	37%	0.371	C	S	.	.			trans	-138.8	137.9	-172.5	-63.3	172.4	0	0	0	111.5	V87 I90 L104 S105 V112 V114 I143	V87-L108 HydrophobicContact CG2-CB 3.97Å; V87-L108 WeakPolarHBondContact CG2-O 3.34Å; I90-L108 HydrophobicContact CD1-CD1 3.73Å; L104-L108 VanDerWaalsContact O-CB 3.29Å; L104-L108 WeakPolarHBondContact O-CB 3.23Å; L104-L108 PolarHBondContact O-N 2.91Å; S105-L108 VanDerWaalsContact O-O 3.11Å; L108-V112 HydrophobicContact CD2-CG2 3.78Å; L108-V114 HydrophobicContact CD1-CG1 4.4Å; L108-V114 HydrophobicContact CD1-CG2 3.9Å; L108-I143 HydrophobicContact CB-CB 4.22Å; L108-I143 HydrophobicContact CB-CD1 4.18Å; L108-I143 HydrophobicContact CB-CG1 4.48Å; L108-I143 HydrophobicContact CD1-CD1 4.14Å; L108-I143 HydrophobicContact CD1-CG1 4.22Å; L108-I143 HydrophobicContact CD2-CB 4.28Å
109	P	95.6	Very high	93.2	Very high	59 Å²	59	58.3 Å²	58.3	38%	0.383	35%	0.347	S	S	.	.	S	Bend	cis	-72.7	154.3	5.3	31.4	-37.2	0	0	0	113.6	I143 D145	P109-I143 CarbonylContact C-O 3.57Å; P109-I143 WeakPolarHBondContact CA-O 3.41Å; P109-I143 HydrophobicContact CB-CB 4.43Å; P109-I143 HydrophobicContact CB-CG2 3.82Å; P109-I143 WeakPolarHBondContact CB-O 3.29Å; P109-D145 HydrophobicContact CB-CB 4.29Å
110	G	90.5	Very high	92.9	Very high	7 Å²	7	62 Å²	62	7%	0.072	38%	0.378	C	S	.	.	S	Bend	trans	162.6	-179.2	176.7	0	0	0	0	0	114.7	D50 V112 I143	D50-G110 VanDerWaalsContact OD2-O 3.11Å; G110-V112 PolarHBondContact O-N 3.44Å; G110-I143 PolarHBondContact N-O 3.32Å
111	P	90.2	Very high	92.6	Very high	86 Å²	86	60.6 Å²	60.6	56%	0.558	37%	0.365	S	S	*	.	S	Bend	trans	-70.9	3	-169.1	27.9	-35.8	0	0	0	115.1	D50 T51 R142	D50-P111 WeakPolarHBondContact OD2-CA 3.43Å; T51-P111 HydrophobicContact CG2-CB 3.52Å; P111-R142 VanDerWaalsContact C-NH2 3.3Å; P111-R142 VanDerWaalsContact CA-NH2 3.31Å; P111-R142 PolarHBondContact O-NH1 3.24Å; P111-R142 PolarHBondContact O-NH2 2.91Å
112	V	89.5	Confident	92	Very high	61 Å²	61	60.8 Å²	60.8	37%	0.37	35%	0.349	S	S	.	.			trans	-92.4	170	-174.3	-58.5	0	0	0	0	112.9	L107 L108 G110 R142	L107-V112 HydrophobicContact CB-CG2 4.48Å; L107-V112 WeakPolarHBondContact O-CG2 3.3Å; L108-V112 HydrophobicContact CD2-CG2 3.78Å; G110-V112 PolarHBondContact O-N 3.44Å; V112-R142 PolarHBondContact O-NH1 3.02Å
113	T	92.5	Very high	91.3	Very high	66 Å²	66	66.4 Å²	66.4	41%	0.405	37%	0.371	S	S	.	.			trans	-139.9	111.6	170.5	-63.8	0	0	0	0	107.7	A81 I141 R142	A81-T113 HydrophobicContact CB-CG2 4.12Å; T113-I141 CarbonylContact C-O 3.47Å; T113-I141 WeakPolarHBondContact CA-O 3.28Å; T113-R142 HydrophobicContact CG2-CB 4.46Å; T113-R142 PolarHBondContact OG1-NH1 3.48Å; T113-R142 VanDerWaalsContact OG1-NH1 3.13Å
114	V	92.6	Very high	90.6	Very high	19 Å²	19	69.2 Å²	69.2	12%	0.115	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	136.3	-175.4	-60	0	0	0	0	109.4	L104 L107 L108 L116 G140 I141	L104-V114 HydrophobicContact CD2-CG2 4.29Å; L107-V114 HydrophobicContact CB-CG1 4.4Å; L107-V114 HydrophobicContact CD1-CG1 4.09Å; L108-V114 HydrophobicContact CD1-CG1 4.4Å; L108-V114 HydrophobicContact CD1-CG2 3.9Å; V114-L116 HydrophobicContact CG2-CD1 4.07Å; V114-L116 HydrophobicContact CG2-CD2 4.38Å; V114-L116 HydrophobicContact CG2-CG 4Å; V114-G140 CarbonylContact O-C 3.29Å; V114-G140 WeakPolarHBondContact O-CA 3.44Å; V114-I141 HydrophobicContact CG2-CB 3.85Å; V114-I141 HydrophobicContact CG2-CG2 4.45Å; V114-I141 PolarHBondContact N-O 3Å; V114-I141 PolarHBondContact O-N 3.46Å
115	L	94.3	Very high	90.1	Very high	96 Å²	96	68.2 Å²	68.2	50%	0.503	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	99	-176.6	-175.9	60.5	0	0	0	109.6	R138	L115-R138 HydrophobicContact CD1-CB 3.63Å; L115-R138 VanDerWaalsContact CD2-CZ 3.44Å; L115-R138 HydrophobicContact CG-CB 3.89Å
116	L	94.3	Very high	89.7	Confident	9 Å²	9	65 Å²	65	5%	0.047	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	151.3	-172.3	-61	-178.7	0	0	0	111.8	I90 C94 T96 I99 L104 V114 R138 V139 I141	I90-L116 HydrophobicContact CG2-CD1 3.38Å; C94-L116 HydrophobicContact CB-CB 3.9Å; C94-L116 HydrophobicContact CB-CD1 4.11Å; T96-L116 HydrophobicContact CG2-CD1 4.43Å; I99-L116 HydrophobicContact CD1-CD2 3.98Å; I99-L116 HydrophobicContact CG1-CD2 4.34Å; L104-L116 HydrophobicContact CD1-CD1 4.43Å; L104-L116 HydrophobicContact CD2-CD1 4.17Å; L104-L116 HydrophobicContact CD2-CD2 4.19Å; V114-L116 HydrophobicContact CG2-CD1 4.07Å; V114-L116 HydrophobicContact CG2-CD2 4.38Å; V114-L116 HydrophobicContact CG2-CG 4Å; L116-R138 CarbonylContact O-C 3.57Å; L116-R138 WeakPolarHBondContact O-CA 3.32Å; L116-R138 WeakPolarHBondContact O-CB 3.26Å; L116-V139 PolarHBondContact N-O 3Å; L116-V139 PolarHBondContact O-N 2.82Å; L116-I141 HydrophobicContact CD1-CG1 4.05Å; L116-I141 HydrophobicContact CG-CG1 4.44Å
117	P	92.1	Very high	89.4	Confident	51 Å²	51	58.7 Å²	58.7	33%	0.331	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	144.5	173.9	29.2	-32.4	0	0	0	110.7	D95	D95-P117 HydrophobicContact CB-CG 4.22Å; D95-P117 PolarHBondContact N-O 3Å; D95-P117 WeakPolarHBondContact O-CG 3.44Å
118	R	92	Very high	88.9	Confident	18 Å²	18	55.9 Å²	55.9	7%	0.068	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-76.1	161.6	166.4	-61.5	172.6	76.7	143.1	7.2	109.2	S120 D125 L127 S128 L132 N133 D136 K137 V139	R118-S120 PolarHBondContact O-N 3.47Å; R118-D125 IonicContact CZ-OD2 3.62Å; R118-D125 IonicContact NE-OD1 2.72Å; R118-D125 IonicContact NE-OD2 3.46Å; R118-D125 PolarHBondContact NE-OD2 3.03Å; R118-D125 IonicContact NH2-OD1 2.64Å; R118-D125 IonicContact NH2-OD2 3.49Å; R118-D125 PolarHBondContact NH2-OD2 3.25Å; R118-L127 VanDerWaalsContact NH2-CB 3.28Å; R118-L127 PolarHBondContact NH2-O 3.1Å; R118-S128 PolarHBondContact NH2-OG 2.87Å; R118-L132 PolarHBondContact NH1-O 3.08Å; R118-L132 PolarHBondContact NH2-O 3.44Å; R118-L132 VanDerWaalsContact NH2-O 3.16Å; R118-N133 VanDerWaalsContact NH1-C 3.29Å; R118-N133 PolarHBondContact NH1-O 3.06Å; R118-D136 WeakPolarHBondContact CD-O 3.3Å; R118-K137 PolarHBondContact N-O 2.95Å; R118-V139 HydrophobicContact CG-CB 4.48Å; R118-V139 HydrophobicContact CG-CG1 4.29Å
119	F	92	Very high	88	Confident	54 Å²	54	59.2 Å²	59.2	24%	0.237	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-55.8	137.9	167.9	-59.1	-75.2	0	0	0	110.3	C94 D95 D121 D125	C94-F119 VanDerWaalsContact C-CZ 3.5Å; C94-F119 VanDerWaalsContact O-CZ 3.23Å; C94-F119 WeakPolarHBondContact O-CZ 3.44Å; D95-F119 HydrophobicContact CB-CD1 4.17Å; D95-F119 HydrophobicContact CB-CE1 4.44Å; F119-D121 VanDerWaalsContact C-N 3.32Å; F119-D125 HydrophobicContact CB-CB 4.25Å
120	S	87.2	Confident	87.3	Confident	126 Å²	126	57.6 Å²	57.6	88%	0.881	31%	0.314	S	S	*	.	S	Bend	trans	-68.8	-32.4	-177.1	50	0	0	0	0	112.6	R118	R118-S120 PolarHBondContact O-N 3.47Å
121	D	86.7	Confident	86.8	Confident	56 Å²	56	61.3 Å²	61.3	30%	0.299	33%	0.331	S	S	.	.	S	Bend	trans	-86.2	119	170.5	-177.8	3.2	0	0	0	110.5	F119 L123 Q124 D125	F119-D121 VanDerWaalsContact C-N 3.32Å; D121-L123 VanDerWaalsContact C-N 3.25Å; D121-L123 PolarHBondContact O-N 2.64Å; D121-L123 WeakPolarHBondContact OD1-CB 3.42Å; D121-L123 PolarHBondContact OD1-N 2.94Å; D121-Q124 HydrophobicContact CB-CB 4.26Å; D121-Q124 HydrophobicContact CB-CG 4.29Å; D121-Q124 PolarHBondContact O-N 3.23Å; D121-Q124 PolarHBondContact OD2-NE2 3.15Å; D121-D125 PolarHBondContact O-N 3.11Å
122	R	79.3	Confident	86.6	Confident	157 Å²	157	57.2 Å²	57.2	59%	0.592	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-23.7	177.7	-72.9	-176.5	170.9	-148.6	-11.9	113.5	Q124 D125 L134	R122-Q124 VanDerWaalsContact C-N 3.3Å; R122-D125 PolarHBondContact O-N 3.09Å; R122-L134 PolarHBondContact NH2-O 3.01Å
123	L	79	Confident	86.6	Confident	149 Å²	149	54.4 Å²	54.4	78%	0.78	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-28.8	176.2	-61	176.7	0	0	0	111.5	D121	D121-L123 VanDerWaalsContact C-N 3.25Å; D121-L123 PolarHBondContact O-N 2.64Å; D121-L123 WeakPolarHBondContact OD1-CB 3.42Å; D121-L123 PolarHBondContact OD1-N 2.94Å
124	Q	79.5	Confident	86.1	Confident	131 Å²	131	54.8 Å²	54.8	61%	0.612	29%	0.287	S	S	*	.	S	Bend	trans	-91.5	-6.4	176.6	-66	174.7	61.8	0	0	113.1	D121 R122 P126	D121-Q124 HydrophobicContact CB-CB 4.26Å; D121-Q124 HydrophobicContact CB-CG 4.29Å; D121-Q124 PolarHBondContact O-N 3.23Å; D121-Q124 PolarHBondContact OD2-NE2 3.15Å; R122-Q124 VanDerWaalsContact C-N 3.3Å; Q124-P126 VanDerWaalsContact O-CD 3.26Å; Q124-P126 WeakPolarHBondContact O-CD 3.43Å
125	D	86.3	Confident	85.6	Confident	2 Å²	2	57.3 Å²	57.3	1%	0.011	32%	0.316	C	S	.	.			trans	-90.2	107.3	-177.7	173.7	17.8	0	0	0	112.5	R118 F119 D121 R122 L127 S128	R118-D125 IonicContact CZ-OD2 3.62Å; R118-D125 IonicContact NE-OD1 2.72Å; R118-D125 IonicContact NE-OD2 3.46Å; R118-D125 PolarHBondContact NE-OD2 3.03Å; R118-D125 IonicContact NH2-OD1 2.64Å; R118-D125 IonicContact NH2-OD2 3.49Å; R118-D125 PolarHBondContact NH2-OD2 3.25Å; F119-D125 HydrophobicContact CB-CB 4.25Å; D121-D125 PolarHBondContact O-N 3.11Å; R122-D125 PolarHBondContact O-N 3.09Å; D125-L127 PolarHBondContact O-N 3.28Å; D125-L127 VanDerWaalsContact O-N 3.13Å; D125-L127 WeakPolarHBondContact OD1-CB 3.49Å; D125-L127 PolarHBondContact OD1-N 3.45Å; D125-S128 WeakPolarHBondContact O-CB 3.18Å; D125-S128 PolarHBondContact O-N 3.24Å; D125-S128 WeakPolarHBondContact OD2-CB 3.36Å; D125-S128 PolarHBondContact OD2-N 3.14Å; D125-S128 PolarHBondContact OD2-OG 2.86Å
126	P	87.5	Confident	85.3	Confident	6 Å²	6	55.2 Å²	55.2	4%	0.039	31%	0.306	C	S	.	.	H	α-helix	trans	-66.8	-19	-177.3	-20.6	36.3	0	0	0	113.2	H92 W93 Q124 T129 R130 I182	H92-P126 WeakPolarHBondContact O-CG 3.11Å; W93-P126 HydrophobicContact CE3-CB 3.81Å; W93-P126 HydrophobicContact CE3-CG 4.49Å; W93-P126 HydrophobicContact CH2-CB 4.32Å; W93-P126 HydrophobicContact CZ3-CB 3.61Å; Q124-P126 VanDerWaalsContact O-CD 3.26Å; Q124-P126 WeakPolarHBondContact O-CD 3.43Å; P126-T129 PolarHBondContact O-OG1 3.05Å; P126-T129 VanDerWaalsContact O-OG1 3.07Å; P126-R130 VanDerWaalsContact O-CD 3.27Å; P126-R130 WeakPolarHBondContact O-CD 3.24Å; P126-R130 WeakPolarHBondContact O-CG 3.26Å; P126-R130 PolarHBondContact O-NH1 3.48Å; P126-I182 HydrophobicContact CB-CG2 4.09Å; P126-I182 HydrophobicContact CG-CG2 3.87Å
127	L	88.3	Confident	85.1	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-81.7	-22.3	176.3	-61.7	-179.9	0	0	0	112.2	V59 I82 W93 R118 D125 R130 L132 V139	V59-L127 HydrophobicContact CG2-CD2 3.84Å; I82-L127 HydrophobicContact CD1-CD1 4.39Å; I82-L127 HydrophobicContact CD1-CD2 4.35Å; I82-L127 HydrophobicContact CG2-CD2 4.34Å; W93-L127 HydrophobicContact CE3-CD2 3.5Å; W93-L127 VanDerWaalsContact CE3-CD2 3.5Å; W93-L127 HydrophobicContact CE3-CG 3.98Å; W93-L127 HydrophobicContact CZ3-CD2 3.87Å; R118-L127 VanDerWaalsContact NH2-CB 3.28Å; R118-L127 PolarHBondContact NH2-O 3.1Å; D125-L127 PolarHBondContact O-N 3.28Å; D125-L127 VanDerWaalsContact O-N 3.13Å; D125-L127 WeakPolarHBondContact OD1-CB 3.49Å; D125-L127 PolarHBondContact OD1-N 3.45Å; L127-R130 PolarHBondContact O-N 2.85Å; L127-L132 HydrophobicContact CD2-CD2 4.02Å; L127-L132 PolarHBondContact O-N 2.83Å; L127-L132 VanDerWaalsContact O-N 3.15Å; L127-V139 HydrophobicContact CD1-CB 4Å; L127-V139 HydrophobicContact CD1-CG1 3.87Å; L127-V139 HydrophobicContact CD1-CG2 3.77Å
128	S	81.4	Confident	85	Confident	17 Å²	17	68 Å²	68	12%	0.119	35%	0.352	C	S	.	.	H	α-helix	trans	-72.3	-42	177	-80.8	0	0	0	0	111	R118 D125 R130 L131	R118-S128 PolarHBondContact NH2-OG 2.87Å; D125-S128 WeakPolarHBondContact O-CB 3.18Å; D125-S128 PolarHBondContact O-N 3.24Å; D125-S128 WeakPolarHBondContact OD2-CB 3.36Å; D125-S128 PolarHBondContact OD2-N 3.14Å; D125-S128 PolarHBondContact OD2-OG 2.86Å; S128-R130 PolarHBondContact O-N 2.91Å; S128-L131 PolarHBondContact O-N 3.49Å
129	T	77.7	Confident	85	Confident	74 Å²	74	67.2 Å²	67.2	45%	0.454	35%	0.349	S	S	.	.	H	α-helix	trans	-65.4	-21.3	175.4	57.3	0	0	0	0	113.4	P126	P126-T129 PolarHBondContact O-OG1 3.05Å; P126-T129 VanDerWaalsContact O-OG1 3.07Å
130	R	80.2	Confident	85.1	Confident	25 Å²	25	65.2 Å²	65.2	9%	0.094	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	13.5	-179.9	-66.4	168.5	179.6	71.1	3.7	113.8	V59 P126 L127 S128 L132	V59-R130 WeakPolarHBondContact O-CD 3.46Å; P126-R130 VanDerWaalsContact O-CD 3.27Å; P126-R130 WeakPolarHBondContact O-CD 3.24Å; P126-R130 WeakPolarHBondContact O-CG 3.26Å; P126-R130 PolarHBondContact O-NH1 3.48Å; L127-R130 PolarHBondContact O-N 2.85Å; S128-R130 PolarHBondContact O-N 2.91Å; R130-L132 PolarHBondContact O-N 2.73Å
131	L	80.9	Confident	85.5	Confident	84 Å²	84	59.2 Å²	59.2	44%	0.44	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.3	25.5	179.3	-48.5	-175.9	0	0	0	114.8	T62 R69 S128 L134	T62-L131 HydrophobicContact CG2-CB 4.48Å; T62-L131 HydrophobicContact CG2-CD1 4.04Å; R69-L131 PolarHBondContact NH2-O 3.09Å; R69-L131 VanDerWaalsContact NH2-O 3.11Å; S128-L131 PolarHBondContact O-N 3.49Å; L131-L134 HydrophobicContact CB-CD1 4.13Å; L131-L134 HydrophobicContact CD2-CD1 3.95Å; L131-L134 HydrophobicContact CD2-CD2 4.44Å
132	L	86.1	Confident	85.9	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.292	C	S	.	.	S	Bend	trans	-90.8	127.4	178.7	-165.9	69.1	0	0	0	110.2	V59 I65 M80 I82 R118 L127 R130 L134 V191	V59-L132 HydrophobicContact CG2-CD2 4.14Å; I65-L132 HydrophobicContact CD1-CD1 4.49Å; I65-L132 HydrophobicContact CG2-CD1 3.99Å; M80-L132 HydrophobicContact CB-CD1 4.46Å; M80-L132 HydrophobicContact CE-CD1 4.18Å; I82-L132 HydrophobicContact CG2-CD2 3.51Å; R118-L132 PolarHBondContact NH1-O 3.08Å; R118-L132 PolarHBondContact NH2-O 3.44Å; R118-L132 VanDerWaalsContact NH2-O 3.16Å; L127-L132 HydrophobicContact CD2-CD2 4.02Å; L127-L132 PolarHBondContact O-N 2.83Å; L127-L132 VanDerWaalsContact O-N 3.15Å; R130-L132 PolarHBondContact O-N 2.73Å; L132-L134 VanDerWaalsContact C-N 3.3Å; L132-L134 PolarHBondContact O-N 2.83Å; L132-V191 HydrophobicContact CD1-CG2 3.9Å; L132-V191 HydrophobicContact CD2-CG2 4.03Å
133	N	88.6	Confident	86.7	Confident	2 Å²	2	50.3 Å²	50.3	1%	0.011	26%	0.264	C	S	.	.	S	Bend	trans	52.1	38.6	172.4	-50.9	-16.8	0	0	0	114.4	P79 M80 R118 G135 D136	P79-N133 VanDerWaalsContact CA-OD1 3.28Å; P79-N133 WeakPolarHBondContact CA-OD1 3.46Å; P79-N133 HydrophobicContact CB-CB 4.26Å; M80-N133 PolarHBondContact N-OD1 3.11Å; M80-N133 PolarHBondContact O-ND2 3.2Å; R118-N133 VanDerWaalsContact NH1-C 3.29Å; R118-N133 PolarHBondContact NH1-O 3.06Å; N133-G135 PolarHBondContact O-N 2.7Å; N133-D136 HydrophobicContact CB-CB 4.06Å; N133-D136 PolarHBondContact O-N 2.96Å
134	L	81.6	Confident	87.4	Confident	75 Å²	75	43.2 Å²	43.2	39%	0.393	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-14.7	-165.4	-72.4	172.4	0	0	0	117.4	R122 L131 L132	R122-L134 PolarHBondContact NH2-O 3.01Å; L131-L134 HydrophobicContact CB-CD1 4.13Å; L131-L134 HydrophobicContact CD2-CD1 3.95Å; L131-L134 HydrophobicContact CD2-CD2 4.44Å; L132-L134 VanDerWaalsContact C-N 3.3Å; L132-L134 PolarHBondContact O-N 2.83Å
135	G	82.4	Confident	88	Confident	71 Å²	71	42.2 Å²	42.2	73%	0.732	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.1	-17.3	173.5	0	0	0	0	0	114.7	N133	N133-G135 PolarHBondContact O-N 2.7Å
136	D	87.9	Confident	88.2	Confident	52 Å²	52	43.1 Å²	43.1	28%	0.278	23%	0.232	S	C	.	.			trans	-84	132.6	-172.8	-63.7	-84.8	0	0	0	112.1	R118 N133 R138	R118-D136 WeakPolarHBondContact CD-O 3.3Å; N133-D136 HydrophobicContact CB-CB 4.06Å; N133-D136 PolarHBondContact O-N 2.96Å; D136-R138 WeakPolarHBondContact CB-O 3.35Å; D136-R138 PolarHBondContact O-N 2.93Å
137	K	89.8	Confident	88.3	Confident	184 Å²	184	45.2 Å²	45.2	80%	0.8	25%	0.254	S	S	*	.	S	Bend	trans	-78	-4.7	173.1	-60.7	-175.5	179.5	-177.2	0	113.7	R118	R118-K137 PolarHBondContact N-O 2.95Å
138	R	90.9	Very high	88.5	Confident	146 Å²	146	46 Å²	46	55%	0.551	26%	0.258	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.6	152.5	-173.8	-60.6	-179.3	-63.8	-178.2	-1.3	110.3	L115 L116 D136	L115-R138 HydrophobicContact CD1-CB 3.63Å; L115-R138 VanDerWaalsContact CD2-CZ 3.44Å; L115-R138 HydrophobicContact CG-CB 3.89Å; L116-R138 CarbonylContact O-C 3.57Å; L116-R138 WeakPolarHBondContact O-CA 3.32Å; L116-R138 WeakPolarHBondContact O-CB 3.26Å; D136-R138 WeakPolarHBondContact CB-O 3.35Å; D136-R138 PolarHBondContact O-N 2.93Å
139	V	92.1	Very high	89	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.006	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	139.8	174.2	57.8	0	0	0	0	110.1	I82 C94 L116 R118 L127 I141	I82-V139 HydrophobicContact CG1-CG2 4.31Å; C94-V139 WeakPolarHBondContact SG-CG1 3.27Å; L116-V139 PolarHBondContact N-O 3Å; L116-V139 PolarHBondContact O-N 2.82Å; R118-V139 HydrophobicContact CG-CB 4.48Å; R118-V139 HydrophobicContact CG-CG1 4.29Å; L127-V139 HydrophobicContact CD1-CB 4Å; L127-V139 HydrophobicContact CD1-CG1 3.87Å; L127-V139 HydrophobicContact CD1-CG2 3.77Å; V139-I141 HydrophobicContact CG1-CD1 3.95Å; V139-I141 HydrophobicContact CG1-CG1 4.45Å; V139-I141 HydrophobicContact CG2-CD1 4.2Å
140	G	94.6	Very high	89.8	Confident	12 Å²	12	46.3 Å²	46.3	12%	0.124	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	125.1	171.5	0	0	0	0	0	110	A81 I82 V114	A81-G140 CarbonylContact C-O 3.6Å; A81-G140 WeakPolarHBondContact CA-O 3.41Å; A81-G140 VanDerWaalsContact CB-O 3.24Å; A81-G140 WeakPolarHBondContact CB-O 3.4Å; I82-G140 PolarHBondContact N-O 2.93Å; V114-G140 CarbonylContact O-C 3.29Å; V114-G140 WeakPolarHBondContact O-CA 3.44Å
141	I	94.9	Very high	90.5	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	130.9	175.9	-56.2	-56.3	0	0	0	109	I82 L84 I90 C94 T113 V114 L116 V139	I82-I141 HydrophobicContact CD1-CD1 3.57Å; I82-I141 HydrophobicContact CG1-CD1 3.27Å; L84-I141 HydrophobicContact CD1-CG2 4.15Å; I90-I141 HydrophobicContact CD1-CG2 3.99Å; I90-I141 HydrophobicContact CG1-CG2 3.96Å; I90-I141 HydrophobicContact CG2-CG1 4.47Å; I90-I141 HydrophobicContact CG2-CG2 4.41Å; C94-I141 VanDerWaalsContact SG-CD1 3.57Å; C94-I141 VanDerWaalsContact SG-CG1 3.59Å; T113-I141 CarbonylContact C-O 3.47Å; T113-I141 WeakPolarHBondContact CA-O 3.28Å; V114-I141 HydrophobicContact CG2-CB 3.85Å; V114-I141 HydrophobicContact CG2-CG2 4.45Å; V114-I141 PolarHBondContact N-O 3Å; V114-I141 PolarHBondContact O-N 3.46Å; L116-I141 HydrophobicContact CD1-CG1 4.05Å; L116-I141 HydrophobicContact CG-CG1 4.44Å; V139-I141 HydrophobicContact CG1-CD1 3.95Å; V139-I141 HydrophobicContact CG1-CG1 4.45Å; V139-I141 HydrophobicContact CG2-CD1 4.2Å
142	R	95.2	Very high	91.1	Very high	24 Å²	24	48 Å²	48	9%	0.091	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	142.2	174.1	-169.1	174.1	-173.5	95.1	4.7	110.3	D50 T51 I82 C83 L84 P111 V112 T113 P144	D50-R142 IonicContact OD1-CZ 3.93Å; D50-R142 IonicContact OD1-NE 2.73Å; D50-R142 IonicContact OD1-NH2 3.62Å; D50-R142 PolarHBondContact OD1-NH2 3.45Å; D50-R142 IonicContact OD2-NH2 3.6Å; T51-R142 PolarHBondContact OG1-NH2 3.21Å; T51-R142 VanDerWaalsContact OG1-NH2 3.16Å; I82-R142 PolarHBondContact O-N 2.81Å; C83-R142 CarbonylContact C-O 3.53Å; C83-R142 VanDerWaalsContact CA-O 3.26Å; C83-R142 WeakPolarHBondContact CA-O 3.49Å; L84-R142 PolarHBondContact N-O 3.5Å; P111-R142 VanDerWaalsContact C-NH2 3.3Å; P111-R142 VanDerWaalsContact CA-NH2 3.31Å; P111-R142 PolarHBondContact O-NH1 3.24Å; P111-R142 PolarHBondContact O-NH2 2.91Å; V112-R142 PolarHBondContact O-NH1 3.02Å; T113-R142 HydrophobicContact CG2-CB 4.46Å; T113-R142 PolarHBondContact OG1-NH1 3.48Å; T113-R142 VanDerWaalsContact OG1-NH1 3.13Å; R142-P144 HydrophobicContact CG-CG 4.03Å
143	I	95.8	Very high	91.5	Very high	1 Å²	1	48 Å²	48	1%	0.005	25%	0.253	C	S	.	.			trans	-130	94	164.7	-57.9	176.9	0	0	0	105	L84 V87 I90 L108 P109 G110	L84-I143 HydrophobicContact CB-CD1 4.33Å; L84-I143 HydrophobicContact CB-CG1 3.96Å; V87-I143 HydrophobicContact CB-CD1 4.35Å; V87-I143 HydrophobicContact CG2-CD1 3.77Å; I90-I143 HydrophobicContact CD1-CD1 3.98Å; I90-I143 HydrophobicContact CG1-CD1 4.28Å; L108-I143 HydrophobicContact CB-CB 4.22Å; L108-I143 HydrophobicContact CB-CD1 4.18Å; L108-I143 HydrophobicContact CB-CG1 4.48Å; L108-I143 HydrophobicContact CD1-CD1 4.14Å; L108-I143 HydrophobicContact CD1-CG1 4.22Å; L108-I143 HydrophobicContact CD2-CB 4.28Å; P109-I143 CarbonylContact C-O 3.57Å; P109-I143 WeakPolarHBondContact CA-O 3.41Å; P109-I143 HydrophobicContact CB-CB 4.43Å; P109-I143 HydrophobicContact CB-CG2 3.82Å; P109-I143 WeakPolarHBondContact CB-O 3.29Å; G110-I143 PolarHBondContact N-O 3.32Å
144	P	93.3	Very high	91.8	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.265	C	S	.	.			trans	-61.6	141.9	-179.1	-22.4	33.9	0	0	0	110.6	D50 C83 R142 S146 I149 L192	D50-P144 WeakPolarHBondContact OD2-CA 3.49Å; C83-P144 WeakPolarHBondContact SG-CD 3.48Å; R142-P144 HydrophobicContact CG-CG 4.03Å; P144-S146 PolarHBondContact O-N 3.34Å; P144-I149 HydrophobicContact CB-CD1 4.26Å; P144-I149 HydrophobicContact CG-CD1 4.23Å; P144-I149 HydrophobicContact CG-CG2 4.28Å; P144-L192 HydrophobicContact CG-CD2 4.41Å
145	D	92.6	Very high	92.4	Very high	111 Å²	111	46.8 Å²	46.8	59%	0.594	25%	0.251	S	S	*	.	S	Bend	trans	-76.6	67.1	167.5	-168.7	25.5	0	0	0	110.7	D50 P109	D50-D145 PolarHBondContact OD2-N 3.14Å; P109-D145 HydrophobicContact CB-CB 4.29Å
146	S	90.4	Very high	92.9	Very high	21 Å²	21	43.4 Å²	43.4	15%	0.147	22%	0.217	C	C	.	.			trans	-136.1	104.5	-179.6	174.9	0	0	0	0	109	P144 F148 I149 R150	P144-S146 PolarHBondContact O-N 3.34Å; S146-F148 PolarHBondContact O-N 3.25Å; S146-F148 VanDerWaalsContact O-N 3.1Å; S146-I149 PolarHBondContact O-N 2.77Å; S146-I149 VanDerWaalsContact O-N 3.07Å; S146-I149 PolarHBondContact OG-N 2.88Å; S146-R150 WeakPolarHBondContact O-CG 3.46Å; S146-R150 PolarHBondContact O-N 2.84Å
147	G	90.8	Very high	93.1	Very high	49 Å²	49	41 Å²	41	51%	0.505	20%	0.204	S	C	.	.	H	α-helix	trans	-56.9	-25.6	178.6	0	0	0	0	0	113.7	K151	G147-K151 WeakPolarHBondContact O-CB 3.2Å; G147-K151 WeakPolarHBondContact O-CD 3.42Å; G147-K151 WeakPolarHBondContact O-CG 3.45Å; G147-K151 PolarHBondContact O-N 3.04Å
148	F	91.5	Very high	93.1	Very high	17 Å²	17	37.3 Å²	37.3	8%	0.075	19%	0.189	C	C	.	.	H	α-helix	trans	-72.4	-50	172.6	175.1	-106.1	0	0	0	112.2	V24 A27 L31 I34 L47 S146 R150 K151 L152 L225	V24-F148 HydrophobicContact CG1-CB 4.06Å; V24-F148 HydrophobicContact CG1-CD1 4.16Å; V24-F148 HydrophobicContact CG1-CD2 4.17Å; V24-F148 HydrophobicContact CG1-CG 3.85Å; A27-F148 HydrophobicContact CB-CE2 3.69Å; A27-F148 HydrophobicContact CB-CZ 3.7Å; L31-F148 HydrophobicContact CD1-CE2 3.99Å; I34-F148 HydrophobicContact CD1-CZ 4.1Å; L47-F148 HydrophobicContact CD2-CE1 3.76Å; S146-F148 PolarHBondContact O-N 3.25Å; S146-F148 VanDerWaalsContact O-N 3.1Å; F148-R150 VanDerWaalsContact C-N 3.35Å; F148-R150 PolarHBondContact O-N 2.86Å; F148-K151 PolarHBondContact O-N 3.19Å; F148-L152 HydrophobicContact CE1-CD2 4.45Å; F148-L152 WeakPolarHBondContact O-CB 3.14Å; F148-L152 PolarHBondContact O-N 2.93Å; F148-L225 HydrophobicContact CE1-CD1 4.15Å; F148-L225 HydrophobicContact CE1-CD2 4.39Å; F148-L225 HydrophobicContact CZ-CD1 4.22Å; F148-L225 HydrophobicContact CZ-CD2 4.08Å
149	I	92.9	Very high	93	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-62.5	-43.5	180	-66.3	177.8	0	0	0	110.7	L47 P48 T49 P144 S146 K151 L152 I153	L47-I149 HydrophobicContact CB-CD1 4.15Å; L47-I149 HydrophobicContact CB-CG1 4.4Å; L47-I149 HydrophobicContact CD1-CG1 4.43Å; P48-I149 WeakPolarHBondContact O-CD1 3.48Å; T49-I149 HydrophobicContact CG2-CD1 3.96Å; P144-I149 HydrophobicContact CB-CD1 4.26Å; P144-I149 HydrophobicContact CG-CD1 4.23Å; P144-I149 HydrophobicContact CG-CG2 4.28Å; S146-I149 PolarHBondContact O-N 2.77Å; S146-I149 VanDerWaalsContact O-N 3.07Å; S146-I149 PolarHBondContact OG-N 2.88Å; I149-K151 PolarHBondContact O-N 3.16Å; I149-L152 PolarHBondContact O-N 3.25Å; I149-I153 HydrophobicContact CG2-CD1 3.82Å; I149-I153 WeakPolarHBondContact O-CG1 3.45Å; I149-I153 PolarHBondContact O-N 2.99Å
150	R	94.2	Very high	92.7	Very high	96 Å²	96	34.1 Å²	34.1	36%	0.362	18%	0.183	S	C	.	.	H	α-helix	trans	-62.7	-42.1	178.8	-63.6	-178.8	65	-144	-8.7	111.8	D85 S146 F148 I153 S154	D85-R150 HydrophobicContact CB-CB 4.44Å; D85-R150 VanDerWaalsContact O-CZ 3.31Å; D85-R150 PolarHBondContact O-NE 3.37Å; D85-R150 PolarHBondContact O-NH2 3.33Å; S146-R150 WeakPolarHBondContact O-CG 3.46Å; S146-R150 PolarHBondContact O-N 2.84Å; F148-R150 VanDerWaalsContact C-N 3.35Å; F148-R150 PolarHBondContact O-N 2.86Å; R150-I153 PolarHBondContact O-N 3.02Å; R150-S154 PolarHBondContact O-N 3.15Å
151	K	93.8	Very high	92.3	Very high	144 Å²	144	36.9 Å²	36.9	63%	0.626	19%	0.19	S	C	*	.	H	α-helix	trans	-64.5	-40.3	173.3	-77.1	176.6	179.6	-172.8	0	113	L31 G147 F148 I149 I153 S154 A155	L31-K151 HydrophobicContact CD2-CB 4.45Å; G147-K151 WeakPolarHBondContact O-CB 3.2Å; G147-K151 WeakPolarHBondContact O-CD 3.42Å; G147-K151 WeakPolarHBondContact O-CG 3.45Å; G147-K151 PolarHBondContact O-N 3.04Å; F148-K151 PolarHBondContact O-N 3.19Å; I149-K151 PolarHBondContact O-N 3.16Å; K151-I153 VanDerWaalsContact C-N 3.35Å; K151-I153 PolarHBondContact O-N 2.93Å; K151-S154 PolarHBondContact O-N 3.26Å; K151-A155 WeakPolarHBondContact O-CB 3.18Å; K151-A155 PolarHBondContact O-N 2.88Å
152	L	93.8	Very high	91.7	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-61.7	-42.6	177.1	176.9	61.7	0	0	0	111.9	L31 I34 V35 I38 L47 F148 I149 A155 L156	L31-L152 HydrophobicContact CD1-CB 4.06Å; L31-L152 HydrophobicContact CD1-CD1 3.92Å; I34-L152 HydrophobicContact CB-CD1 4.19Å; I34-L152 HydrophobicContact CG2-CD1 3.73Å; I34-L152 HydrophobicContact CG2-CD2 4.16Å; V35-L152 HydrophobicContact CG2-CD1 3.84Å; I38-L152 HydrophobicContact CD1-CD1 4.17Å; I38-L152 HydrophobicContact CD1-CD2 3.95Å; I38-L152 HydrophobicContact CD1-CG 4.32Å; L47-L152 HydrophobicContact CD1-CD2 4.17Å; L47-L152 HydrophobicContact CD2-CD2 3.79Å; F148-L152 HydrophobicContact CE1-CD2 4.45Å; F148-L152 WeakPolarHBondContact O-CB 3.14Å; F148-L152 PolarHBondContact O-N 2.93Å; I149-L152 PolarHBondContact O-N 3.25Å; L152-A155 PolarHBondContact O-N 2.79Å; L152-L156 HydrophobicContact CD1-CD1 4.48Å; L152-L156 HydrophobicContact CG-CD1 4.31Å; L152-L156 WeakPolarHBondContact O-CD1 3.44Å; L152-L156 WeakPolarHBondContact O-CG 3.49Å; L152-L156 PolarHBondContact O-N 3.14Å
153	I	95	Very high	90.9	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-67.9	-40.6	176.4	-68.9	168.9	0	0	0	111.3	C83 D85 I149 R150 K151 L156 N157 H188 L190	C83-I153 HydrophobicContact CB-CD1 4.26Å; C83-I153 VanDerWaalsContact SG-CD1 3.58Å; D85-I153 HydrophobicContact CB-CB 3.9Å; D85-I153 HydrophobicContact CB-CG2 3.59Å; I149-I153 HydrophobicContact CG2-CD1 3.82Å; I149-I153 WeakPolarHBondContact O-CG1 3.45Å; I149-I153 PolarHBondContact O-N 2.99Å; R150-I153 PolarHBondContact O-N 3.02Å; K151-I153 VanDerWaalsContact C-N 3.35Å; K151-I153 PolarHBondContact O-N 2.93Å; I153-L156 PolarHBondContact O-N 2.81Å; I153-N157 VanDerWaalsContact O-CB 3.31Å; I153-N157 WeakPolarHBondContact O-CB 3.45Å; I153-N157 PolarHBondContact O-N 3.16Å; I153-H188 WeakPolarHBondContact CG2-O 3.36Å; I153-L190 HydrophobicContact CD1-CD1 4.19Å; I153-L190 HydrophobicContact CD1-CG 4.42Å; I153-L190 HydrophobicContact CG1-CD1 3.78Å; I153-L190 HydrophobicContact CG1-CG 3.99Å
154	S	94.4	Very high	89.7	Confident	39 Å²	39	43.8 Å²	43.8	27%	0.273	24%	0.242	S	C	.	.	H	α-helix	trans	-60.6	-44.7	172.8	-168.2	0	0	0	0	112.2	R150 K151 L156 N157 E158	R150-S154 PolarHBondContact O-N 3.15Å; K151-S154 PolarHBondContact O-N 3.26Å; S154-L156 PolarHBondContact O-N 3.12Å; S154-N157 VanDerWaalsContact O-CB 3.28Å; S154-N157 WeakPolarHBondContact O-CB 3.35Å; S154-N157 PolarHBondContact O-N 3Å; S154-N157 VanDerWaalsContact O-N 3.16Å; S154-E158 WeakPolarHBondContact O-CG 3.35Å; S154-E158 PolarHBondContact O-N 3.46Å; S154-E158 PolarHBondContact OG-OE1 3.44Å
155	A	93.4	Very high	88.6	Confident	13 Å²	13	48.5 Å²	48.5	11%	0.107	27%	0.266	C	S	.	.	H	α-helix	trans	-68.4	-34.9	-180	0	0	0	0	0	112.8	L31 V35 K151 L152 Q159	L31-A155 HydrophobicContact CD2-CB 3.78Å; L31-A155 HydrophobicContact CG-CB 4.2Å; V35-A155 HydrophobicContact CG2-CB 3.64Å; K151-A155 WeakPolarHBondContact O-CB 3.18Å; K151-A155 PolarHBondContact O-N 2.88Å; L152-A155 PolarHBondContact O-N 2.79Å; A155-Q159 PolarHBondContact O-N 2.96Å
156	L	93	Very high	87.2	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-60.8	-44.6	168.8	-79.8	159.5	0	0	0	111.8	V35 I38 S39 L152 I153 S154 Q159 T160 H188 L190	V35-L156 HydrophobicContact CB-CD2 4.42Å; V35-L156 HydrophobicContact CG1-CD2 3.86Å; V35-L156 HydrophobicContact CG1-CG 4.09Å; V35-L156 HydrophobicContact CG2-CG 4.28Å; I38-L156 HydrophobicContact CB-CD2 4.08Å; I38-L156 HydrophobicContact CD1-CD1 4.24Å; I38-L156 HydrophobicContact CG2-CD1 4.03Å; I38-L156 HydrophobicContact CG2-CD2 3.82Å; S39-L156 WeakPolarHBondContact OG-CD2 3.5Å; L152-L156 HydrophobicContact CD1-CD1 4.48Å; L152-L156 HydrophobicContact CG-CD1 4.31Å; L152-L156 WeakPolarHBondContact O-CD1 3.44Å; L152-L156 WeakPolarHBondContact O-CG 3.49Å; L152-L156 PolarHBondContact O-N 3.14Å; I153-L156 PolarHBondContact O-N 2.81Å; S154-L156 PolarHBondContact O-N 3.12Å; L156-Q159 PolarHBondContact O-N 2.87Å; L156-T160 WeakPolarHBondContact O-CB 3.35Å; L156-T160 PolarHBondContact O-N 2.91Å; L156-T160 PolarHBondContact O-OG1 3.24Å; L156-T160 VanDerWaalsContact O-OG1 3.12Å; L156-H188 HydrophobicContact CB-CB 3.96Å; L156-L190 HydrophobicContact CD1-CD1 4.46Å; L156-L190 HydrophobicContact CD1-CD2 3.71Å; L156-L190 HydrophobicContact CD1-CG 4.28Å
157	N	92.3	Very high	85.4	Confident	3 Å²	3	50 Å²	50	2%	0.016	28%	0.282	C	S	.	.	H	α-helix	trans	-62.3	-45.2	177.4	-175.5	20.6	0	0	0	112	I153 S154 T160 R161 G187 H188	I153-N157 VanDerWaalsContact O-CB 3.31Å; I153-N157 WeakPolarHBondContact O-CB 3.45Å; I153-N157 PolarHBondContact O-N 3.16Å; S154-N157 VanDerWaalsContact O-CB 3.28Å; S154-N157 WeakPolarHBondContact O-CB 3.35Å; S154-N157 PolarHBondContact O-N 3Å; S154-N157 VanDerWaalsContact O-N 3.16Å; N157-T160 PolarHBondContact O-N 2.99Å; N157-R161 VanDerWaalsContact CG-CZ 3.47Å; N157-R161 PolarHBondContact ND2-NH1 3.34Å; N157-R161 PolarHBondContact ND2-NH2 3.48Å; N157-R161 VanDerWaalsContact O-CG 3.32Å; N157-R161 WeakPolarHBondContact O-CG 3.37Å; N157-R161 PolarHBondContact O-N 2.95Å; N157-R161 PolarHBondContact OD1-NH1 3.01Å; N157-R161 PolarHBondContact OD1-NH2 3.42Å; N157-G187 WeakPolarHBondContact ND2-CA 3.28Å; N157-G187 WeakPolarHBondContact OD1-CA 3.29Å; N157-H188 HydrophobicContact CB-CB 3.84Å
158	E	90.5	Very high	83.4	Confident	105 Å²	105	53.9 Å²	53.9	49%	0.491	29%	0.292	S	S	.	.	H	α-helix	trans	-58.4	-48.4	172.7	-71.5	158	-134.8	0	0	111.8	S154 T160 R161 S162	S154-E158 WeakPolarHBondContact O-CG 3.35Å; S154-E158 PolarHBondContact O-N 3.46Å; S154-E158 PolarHBondContact OG-OE1 3.44Å; E158-T160 PolarHBondContact O-N 2.66Å; E158-R161 PolarHBondContact O-N 2.97Å; E158-S162 PolarHBondContact O-N 2.86Å; E158-S162 PolarHBondContact O-OG 2.79Å
159	Q	88.3	Confident	81.4	Confident	49 Å²	49	59.2 Å²	59.2	23%	0.229	32%	0.321	C	S	.	.	H	α-helix	trans	-62.6	-42.4	178.8	-169	-175.8	-94.8	0	0	112.7	V35 S39 A155 L156 S162 S163	V35-Q159 HydrophobicContact CG1-CB 3.97Å; V35-Q159 HydrophobicContact CG1-CG 4.4Å; S39-Q159 PolarHBondContact OG-NE2 3.07Å; A155-Q159 PolarHBondContact O-N 2.96Å; L156-Q159 PolarHBondContact O-N 2.87Å; Q159-S162 PolarHBondContact O-N 3.36Å; Q159-S163 PolarHBondContact O-N 3Å; Q159-S163 PolarHBondContact O-OG 3.25Å
160	T	86.2	Confident	79.2	Confident	31 Å²	31	63.7 Å²	63.7	19%	0.19	35%	0.348	C	S	.	.	H	α-helix	trans	-62.9	-41.7	177.3	-66.7	0	0	0	0	111.3	L156 N157 E158 S163 S164 H188	L156-T160 WeakPolarHBondContact O-CB 3.35Å; L156-T160 PolarHBondContact O-N 2.91Å; L156-T160 PolarHBondContact O-OG1 3.24Å; L156-T160 VanDerWaalsContact O-OG1 3.12Å; N157-T160 PolarHBondContact O-N 2.99Å; E158-T160 PolarHBondContact O-N 2.66Å; T160-S163 PolarHBondContact O-N 3.4Å; T160-S164 PolarHBondContact O-N 3.02Å; T160-H188 PolarHBondContact OG1-CE1 3.06Å; T160-H188 PolarHBondContact OG1-ND1 3.3Å
161	R	85.5	Confident	76.3	Confident	71 Å²	71	67.2 Å²	67.2	27%	0.268	37%	0.369	S	S	.	.	H	α-helix	trans	-61.6	-50	173	-70.6	-179.3	-176.4	123	-1.5	112	N157 E158 S163 S164 I165 I184	N157-R161 VanDerWaalsContact CG-CZ 3.47Å; N157-R161 PolarHBondContact ND2-NH1 3.34Å; N157-R161 PolarHBondContact ND2-NH2 3.48Å; N157-R161 VanDerWaalsContact O-CG 3.32Å; N157-R161 WeakPolarHBondContact O-CG 3.37Å; N157-R161 PolarHBondContact O-N 2.95Å; N157-R161 PolarHBondContact OD1-NH1 3.01Å; N157-R161 PolarHBondContact OD1-NH2 3.42Å; E158-R161 PolarHBondContact O-N 2.97Å; R161-S163 VanDerWaalsContact C-N 3.26Å; R161-S163 PolarHBondContact O-N 3.23Å; R161-S164 PolarHBondContact O-N 3.35Å; R161-S164 VanDerWaalsContact O-N 3.14Å; R161-S164 PolarHBondContact O-OG 2.76Å; R161-I165 WeakPolarHBondContact O-CG1 3.42Å; R161-I165 PolarHBondContact O-N 3.42Å; R161-I165 VanDerWaalsContact O-N 3.07Å; R161-I184 HydrophobicContact CG-CB 4.5Å; R161-I184 HydrophobicContact CG-CG2 4.11Å; R161-I184 PolarHBondContact NE-O 2.69Å; R161-I184 PolarHBondContact NH2-O 3.07Å
162	S	82.6	Confident	73.4	Confident	67 Å²	67	70.2 Å²	70.2	47%	0.469	38%	0.384	S	S	.	.	H	α-helix	trans	-57.4	-39.5	178	-64.2	0	0	0	0	112.4	E158 Q159 I165 I166	E158-S162 PolarHBondContact O-N 2.86Å; E158-S162 PolarHBondContact O-OG 2.79Å; Q159-S162 PolarHBondContact O-N 3.36Å; S162-I165 PolarHBondContact O-N 2.96Å; S162-I166 WeakPolarHBondContact O-CG1 3.46Å; S162-I166 PolarHBondContact O-N 2.81Å; S162-I166 VanDerWaalsContact O-N 3.14Å
163	S	78.1	Confident	70.6	Confident	70 Å²	70	75 Å²	75	49%	0.49	42%	0.418	S	S	.	.	H	α-helix	trans	-65.2	-42.2	177.3	-55.7	0	0	0	0	112	Q159 T160 R161 I165 I166 G167	Q159-S163 PolarHBondContact O-N 3Å; Q159-S163 PolarHBondContact O-OG 3.25Å; T160-S163 PolarHBondContact O-N 3.4Å; R161-S163 VanDerWaalsContact C-N 3.26Å; R161-S163 PolarHBondContact O-N 3.23Å; S163-I165 PolarHBondContact O-N 2.61Å; S163-I166 PolarHBondContact O-N 2.71Å; S163-G167 PolarHBondContact O-N 3.38Å
164	S	71.5	Confident	67.7	Low	33 Å²	33	81.4 Å²	81.4	23%	0.231	46%	0.463	C	S	.	.	H	α-helix	trans	-64.2	-37.5	177	69.3	0	0	0	0	113.2	T160 R161 G167 N168 I184	T160-S164 PolarHBondContact O-N 3.02Å; R161-S164 PolarHBondContact O-N 3.35Å; R161-S164 VanDerWaalsContact O-N 3.14Å; R161-S164 PolarHBondContact O-OG 2.76Å; S164-G167 PolarHBondContact O-N 2.78Å; S164-N168 VanDerWaalsContact O-CG 3.23Å; S164-N168 PolarHBondContact O-N 3.13Å; S164-N168 VanDerWaalsContact O-N 3.13Å; S164-N168 PolarHBondContact O-ND2 3.49Å; S164-I184 WeakPolarHBondContact OG-CD1 3.31Å
165	I	70.4	Confident	64.6	Low	98 Å²	98	82.9 Å²	82.9	50%	0.503	48%	0.484	S	S	.	.	H	α-helix	trans	-68	-38.9	177.3	-65	165.1	0	0	0	111.3	R161 S162 S163 N169	R161-I165 WeakPolarHBondContact O-CG1 3.42Å; R161-I165 PolarHBondContact O-N 3.42Å; R161-I165 VanDerWaalsContact O-N 3.07Å; S162-I165 PolarHBondContact O-N 2.96Å; S163-I165 PolarHBondContact O-N 2.61Å; I165-N169 PolarHBondContact O-ND2 3.07Å
166	I	63.1	Low	61.7	Low	115 Å²	115	88.1 Å²	88.1	59%	0.59	52%	0.519	S	S	*	.	H	α-helix	trans	-68	-44	177.6	-66.8	165.9	0	0	0	110.4	S162 S163 N168 N169	S162-I166 WeakPolarHBondContact O-CG1 3.46Å; S162-I166 PolarHBondContact O-N 2.81Å; S162-I166 VanDerWaalsContact O-N 3.14Å; S163-I166 PolarHBondContact O-N 2.71Å; I166-N168 VanDerWaalsContact C-N 3.32Å; I166-N168 PolarHBondContact O-N 2.76Å; I166-N169 PolarHBondContact O-N 3.07Å
167	G	52.2	Low	58.9	Low	48 Å²	48	92.3 Å²	92.3	50%	0.495	54%	0.541	S	S	.	.	H	α-helix	trans	-58.1	-41.7	176.9	0	0	0	0	0	113.1	S163 S164 N169 V170	S163-G167 PolarHBondContact O-N 3.38Å; S164-G167 PolarHBondContact O-N 2.78Å; G167-N169 PolarHBondContact O-N 2.96Å; G167-V170 PolarHBondContact O-N 2.97Å
168	N	48.4	Very low	56.4	Low	132 Å²	132	100.3 Å²	100.3	71%	0.706	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.6	-13.2	-179.5	-69.4	-17.2	0	0	0	114.7	S164 I166	S164-N168 VanDerWaalsContact O-CG 3.23Å; S164-N168 PolarHBondContact O-N 3.13Å; S164-N168 VanDerWaalsContact O-N 3.13Å; S164-N168 PolarHBondContact O-ND2 3.49Å; I166-N168 VanDerWaalsContact C-N 3.32Å; I166-N168 PolarHBondContact O-N 2.76Å
169	N	50.1	Low	54.4	Low	128 Å²	128	101.9 Å²	101.9	68%	0.684	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98	1.9	178.7	-73.5	-42.7	0	0	0	113.4	I165 I166 G167	I165-N169 PolarHBondContact O-ND2 3.07Å; I166-N169 PolarHBondContact O-N 3.07Å; G167-N169 PolarHBondContact O-N 2.96Å
170	V	46.8	Very low	52.3	Low	96 Å²	96	105.2 Å²	105.2	58%	0.582	60%	0.599	S	S	*	*	S	Bend	trans	-114.8	104.2	178.6	-176.4	0	0	0	0	109.8	G167	G167-V170 PolarHBondContact O-N 2.97Å
171	E	32	Very low	50.3	Low	170 Å²	170	107.3 Å²	107.3	79%	0.794	62%	0.615	S	S	*	*			trans	69	117.5	165.7	-61	-176.2	175.7	0	0	118.6	S173	E171-S173 PolarHBondContact O-N 3.11Å
172	H	33.2	Very low	48.8	Very low	206 Å²	206	106.7 Å²	106.7	95%	0.954	62%	0.616	S	S	*	*			trans	-62.2	101.7	165.5	-78.9	-61.4	0	0	0	111.4
173	S	35.9	Very low	47.5	Very low	102 Å²	102	104 Å²	104	71%	0.713	60%	0.597	S	S	*	*			trans	-140.4	121.3	161.9	-62.6	0	0	0	0	110.5	E171 G175	E171-S173 PolarHBondContact O-N 3.11Å; S173-G175 PolarHBondContact O-N 2.98Å
174	S	33.3	Very low	46.7	Very low	134 Å²	134	103.8 Å²	103.8	94%	0.937	59%	0.59	S	S	*	*	S	Bend	trans	-47.5	113.2	179.2	50	0	0	0	0	114.3
175	G	30.4	Very low	46.9	Very low	69 Å²	69	105.3 Å²	105.3	71%	0.711	60%	0.601	S	S	*	*			trans	162.1	25.4	175.2	0	0	0	0	0	116.5	S173 D177	S173-G175 PolarHBondContact O-N 2.98Å; G175-D177 PolarHBondContact O-N 3.13Å
176	C	32.8	Very low	47.5	Very low	124 Å²	124	100.6 Å²	100.6	84%	0.838	58%	0.577	S	S	*	*			trans	-71	100.1	175.6	37	0	0	0	0	110.8	E178	C176-E178 PolarHBondContact O-N 3.14Å
177	D	34.3	Very low	48.8	Very low	87 Å²	87	95.1 Å²	95.1	47%	0.465	55%	0.549	S	S	.	.			trans	-64.6	113.7	167.4	-136.6	-31	0	0	0	108.3	G175 R179 D180	G175-D177 PolarHBondContact O-N 3.13Å; D177-R179 VanDerWaalsContact CG-NE 3.33Å; D177-R179 PolarHBondContact O-N 3.35Å; D177-R179 IonicContact OD1-CZ 2.66Å; D177-R179 VanDerWaalsContact OD1-CZ 3.22Å; D177-R179 IonicContact OD1-NE 3.7Å; D177-R179 PolarHBondContact OD1-NE 3.47Å; D177-R179 IonicContact OD1-NH2 3.24Å; D177-R179 PolarHBondContact OD1-NH2 3.04Å; D177-R179 IonicContact OD2-CZ 3.81Å; D177-R179 IonicContact OD2-NE 3.42Å; D177-R179 PolarHBondContact OD2-NE 3.09Å; D177-R179 IonicContact OD2-NH2 3.87Å; D177-R179 PolarHBondContact OD2-NH2 2.78Å; D177-D180 PolarHBondContact O-N 3.05Å
178	E	39.7	Very low	50.8	Low	171 Å²	171	93.1 Å²	93.1	80%	0.799	53%	0.526	S	S	*	.	G	3₁₀ helix	trans	-55.1	-18.4	-175.2	-66.6	-174.7	136	0	0	113.3	C176 D180 S181	C176-E178 PolarHBondContact O-N 3.14Å; E178-D180 VanDerWaalsContact C-N 3.28Å; E178-D180 PolarHBondContact O-N 3.24Å; E178-S181 WeakPolarHBondContact O-CB 3.49Å; E178-S181 PolarHBondContact O-N 3.06Å; E178-S181 PolarHBondContact O-OG 3.03Å
179	R	48.1	Very low	52.9	Low	138 Å²	138	86.8 Å²	86.8	52%	0.521	49%	0.492	S	S	.	.	G	3₁₀ helix	trans	-61.1	-23	-176.9	-66.2	-177.4	-90	-174.6	0.2	114.9	D177 I182	D177-R179 VanDerWaalsContact CG-NE 3.33Å; D177-R179 PolarHBondContact O-N 3.35Å; D177-R179 IonicContact OD1-CZ 2.66Å; D177-R179 VanDerWaalsContact OD1-CZ 3.22Å; D177-R179 IonicContact OD1-NE 3.7Å; D177-R179 PolarHBondContact OD1-NE 3.47Å; D177-R179 IonicContact OD1-NH2 3.24Å; D177-R179 PolarHBondContact OD1-NH2 3.04Å; D177-R179 IonicContact OD2-CZ 3.81Å; D177-R179 IonicContact OD2-NE 3.42Å; D177-R179 PolarHBondContact OD2-NE 3.09Å; D177-R179 IonicContact OD2-NH2 3.87Å; D177-R179 PolarHBondContact OD2-NH2 2.78Å; R179-I182 WeakPolarHBondContact O-CB 3.36Å
180	D	44.6	Very low	55.1	Low	120 Å²	120	80.8 Å²	80.8	64%	0.642	46%	0.46	S	S	*	.	G	3₁₀ helix	trans	-76.8	-24.5	177.2	-82.8	-24.1	0	0	0	113.5	D177 E178 I182 S183	D177-D180 PolarHBondContact O-N 3.05Å; E178-D180 VanDerWaalsContact C-N 3.28Å; E178-D180 PolarHBondContact O-N 3.24Å; D180-I182 PolarHBondContact O-N 3.26Å; D180-S183 WeakPolarHBondContact O-CB 3.28Å; D180-S183 PolarHBondContact O-N 3.29Å; D180-S183 PolarHBondContact O-OG 2.96Å; D180-S183 VanDerWaalsContact O-OG 3.13Å
181	S	44.1	Very low	57.3	Low	75 Å²	75	76.2 Å²	76.2	52%	0.524	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-30.2	176.9	70	0	0	0	0	113.2	E178 S183 I184	E178-S181 WeakPolarHBondContact O-CB 3.49Å; E178-S181 PolarHBondContact O-N 3.06Å; E178-S181 PolarHBondContact O-OG 3.03Å; S181-S183 PolarHBondContact O-N 3.38Å; S181-S183 VanDerWaalsContact O-N 3.14Å; S181-I184 WeakPolarHBondContact O-CB 3.48Å; S181-I184 PolarHBondContact O-N 3.37Å
182	I	52.3	Low	60.2	Low	57 Å²	57	68.8 Å²	68.8	29%	0.292	40%	0.398	S	S	.	.	H	α-helix	trans	-54.9	-33	178	-65.6	172.6	0	0	0	111.7	P126 R179 D180 I184 G186	P126-I182 HydrophobicContact CB-CG2 4.09Å; P126-I182 HydrophobicContact CG-CG2 3.87Å; R179-I182 WeakPolarHBondContact O-CB 3.36Å; D180-I182 PolarHBondContact O-N 3.26Å; I182-I184 PolarHBondContact O-N 3.26Å; I182-G186 PolarHBondContact O-N 3.02Å
183	S	55.4	Low	62.7	Low	10 Å²	10	59.3 Å²	59.3	7%	0.07	36%	0.355	C	S	.	.	H	α-helix	trans	-67.3	-22.4	-178.7	-44.9	0	0	0	0	113.1	F60 D180 S181	F60-S183 WeakPolarHBondContact CE1-OG 3.34Å; D180-S183 WeakPolarHBondContact O-CB 3.28Å; D180-S183 PolarHBondContact O-N 3.29Å; D180-S183 PolarHBondContact O-OG 2.96Å; D180-S183 VanDerWaalsContact O-OG 3.13Å; S181-S183 PolarHBondContact O-N 3.38Å; S181-S183 VanDerWaalsContact O-N 3.14Å
184	I	61.3	Low	64.9	Low	67 Å²	67	56.5 Å²	56.5	34%	0.344	34%	0.335	S	S	.	.	H	α-helix	trans	-83.7	-36.9	-170.3	-61	176.9	0	0	0	111.8	R161 S164 S181 I182	R161-I184 HydrophobicContact CG-CB 4.5Å; R161-I184 HydrophobicContact CG-CG2 4.11Å; R161-I184 PolarHBondContact NE-O 2.69Å; R161-I184 PolarHBondContact NH2-O 3.07Å; S164-I184 WeakPolarHBondContact OG-CD1 3.31Å; S181-I184 WeakPolarHBondContact O-CB 3.48Å; S181-I184 PolarHBondContact O-N 3.37Å; I182-I184 PolarHBondContact O-N 3.26Å
185	S	76.8	Confident	66.9	Low	64 Å²	64	50.5 Å²	50.5	45%	0.448	29%	0.294	S	S	.	.	H	α-helix	trans	-94.4	-32.3	179.7	67.3	0	0	0	0	113.6	H89 H92 G187	H89-S185 PolarHBondContact CD2-O 3.3Å; H92-S185 PolarHBondContact CD2-OG 2.73Å; H92-S185 WeakPolarHBondContact NE2-CB 3.46Å; H92-S185 PolarHBondContact NE2-OG 3.13Å; S185-G187 VanDerWaalsContact C-N 3.35Å; S185-G187 PolarHBondContact O-N 3.42Å
186	G	83.7	Confident	68.7	Low	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.265	C	S	.	.	S	Bend	trans	-81	-3	-171.1	0	0	0	0	0	116.6	H89 W93 I182	H89-G186 WeakPolarHBondContact CB-O 3.47Å; W93-G186 PolarHBondContact NE1-O 3.14Å; I182-G186 PolarHBondContact O-N 3.02Å
187	G	90.2	Very high	70.2	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.237	C	C	.	.			trans	81.1	-177.1	-174.5	0	0	0	0	0	113.6	N157 S185 P189	N157-G187 WeakPolarHBondContact ND2-CA 3.28Å; N157-G187 WeakPolarHBondContact OD1-CA 3.29Å; S185-G187 VanDerWaalsContact C-N 3.35Å; S185-G187 PolarHBondContact O-N 3.42Å; G187-P189 WeakPolarHBondContact O-CD 3.35Å
188	H	93.1	Very high	71.5	Confident	5 Å²	5	42.7 Å²	42.7	2%	0.023	23%	0.231	C	C	.	.			trans	-117.9	82.2	-177.8	-164.4	107	0	0	0	111.7	S58 F60 I153 L156 N157 T160	S58-H188 PolarHBondContact OG-NE2 3.37Å; F60-H188 AromaticContact CD2-CE1 3.36Å; F60-H188 WeakPolarHBondContact CD2-CE1 3.13Å; F60-H188 AromaticContact CD2-ND1 3.79Å; F60-H188 AromaticContact CD2-NE2 3.49Å; F60-H188 WeakPolarHBondContact CD2-NE2 3.36Å; F60-H188 HydrophobicContact CE2-CB 4.32Å; F60-H188 AromaticContact CE2-CD2 3.85Å; F60-H188 AromaticContact CE2-CE1 3.55Å; F60-H188 AromaticContact CE2-CG 3.65Å; F60-H188 AromaticContact CE2-ND1 3.46Å; F60-H188 WeakPolarHBondContact CE2-ND1 3.18Å; F60-H188 AromaticContact CE2-NE2 3.78Å; I153-H188 WeakPolarHBondContact CG2-O 3.36Å; L156-H188 HydrophobicContact CB-CB 3.96Å; N157-H188 HydrophobicContact CB-CB 3.84Å; T160-H188 PolarHBondContact OG1-CE1 3.06Å; T160-H188 PolarHBondContact OG1-ND1 3.3Å
189	P	94	Very high	72.6	Confident	0 Å²	0	38 Å²	38	0%	0	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-62	144.3	-176.1	-13.1	21	0	0	0	112	V59 I82 C83 L84 W93 G187	V59-P189 HydrophobicContact CB-CB 4.2Å; V59-P189 WeakPolarHBondContact CB-O 3.01Å; V59-P189 HydrophobicContact CG1-CB 3.83Å; V59-P189 HydrophobicContact CG1-CG 3.8Å; V59-P189 WeakPolarHBondContact CG1-O 3.49Å; V59-P189 PolarHBondContact N-O 3.22Å; I82-P189 HydrophobicContact CB-CB 4.11Å; I82-P189 HydrophobicContact CD1-CB 4Å; I82-P189 HydrophobicContact CD1-CG 4.21Å; C83-P189 WeakPolarHBondContact O-CA 3.36Å; L84-P189 HydrophobicContact CD2-CB 3.99Å; L84-P189 HydrophobicContact CD2-CG 3.78Å; W93-P189 HydrophobicContact CD2-CG 3.6Å; W93-P189 HydrophobicContact CE3-CG 4.03Å; W93-P189 HydrophobicContact CG-CG 4.23Å; W93-P189 HydrophobicContact CH2-CG 3.74Å; W93-P189 HydrophobicContact CZ2-CG 3.29Å; W93-P189 HydrophobicContact CZ3-CG 4.08Å; G187-P189 WeakPolarHBondContact O-CD 3.35Å
190	L	95	Very high	73.4	Confident	1 Å²	1	36.9 Å²	36.9	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	136	161.2	-64.4	175	0	0	0	108.6	I38 L47 A56 C57 I82 C83 I153 L156 L192	I38-L190 HydrophobicContact CG2-CD2 3.81Å; L47-L190 HydrophobicContact CD1-CD1 4.04Å; A56-L190 HydrophobicContact CB-CB 4.24Å; A56-L190 HydrophobicContact CB-CD1 4.23Å; C57-L190 CarbonylContact O-C 3.56Å; C57-L190 WeakPolarHBondContact O-CA 3.33Å; C57-L190 WeakPolarHBondContact O-CD2 3.12Å; I82-L190 CarbonylContact C-O 3.51Å; I82-L190 VanDerWaalsContact CA-O 3.26Å; I82-L190 WeakPolarHBondContact CA-O 3.26Å; C83-L190 HydrophobicContact CB-CB 4.3Å; C83-L190 PolarHBondContact N-O 3.37Å; C83-L190 PolarHBondContact O-N 3.2Å; C83-L190 VanDerWaalsContact O-N 3.08Å; I153-L190 HydrophobicContact CD1-CD1 4.19Å; I153-L190 HydrophobicContact CD1-CG 4.42Å; I153-L190 HydrophobicContact CG1-CD1 3.78Å; I153-L190 HydrophobicContact CG1-CG 3.99Å; L156-L190 HydrophobicContact CD1-CD1 4.46Å; L156-L190 HydrophobicContact CD1-CD2 3.71Å; L156-L190 HydrophobicContact CD1-CG 4.28Å; L190-L192 PolarHBondContact O-N 2.98Å
191	V	94.1	Very high	73.4	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	137	155.7	174.1	0	0	0	0	107	A56 C57 V59 I65 M80 I82 L132	A56-V191 WeakPolarHBondContact CA-O 3.34Å; A56-V191 WeakPolarHBondContact CB-O 3Å; C57-V191 PolarHBondContact N-O 2.74Å; C57-V191 PolarHBondContact O-N 3.23Å; V59-V191 HydrophobicContact CB-CG2 4.31Å; V59-V191 HydrophobicContact CG2-CG2 4.1Å; I65-V191 HydrophobicContact CD1-CG2 3.98Å; I65-V191 HydrophobicContact CG1-CG2 3.94Å; M80-V191 HydrophobicContact CB-CG1 3.74Å; M80-V191 HydrophobicContact CE-CG1 3.96Å; M80-V191 HydrophobicContact CG-CG1 4.38Å; M80-V191 HydrophobicContact SD-CG1 3.84Å; I82-V191 HydrophobicContact CG2-CG2 4.43Å; L132-V191 HydrophobicContact CD1-CG2 3.9Å; L132-V191 HydrophobicContact CD2-CG2 4.03Å
192	L	91.5	Very high	74.1	Confident	14 Å²	14	35.7 Å²	35.7	7%	0.073	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	122.7	-179.8	-176.9	67.9	0	0	0	110.3	T49 L55 A56 A81 C83 P144 L190	T49-L192 HydrophobicContact CG2-CD2 4.37Å; L55-L192 WeakPolarHBondContact O-CA 3.43Å; A56-L192 HydrophobicContact CB-CD1 3.94Å; A81-L192 PolarHBondContact O-N 3.47Å; C83-L192 HydrophobicContact CB-CB 3.79Å; C83-L192 HydrophobicContact CB-CD2 3.77Å; C83-L192 HydrophobicContact CB-CG 4.39Å; P144-L192 HydrophobicContact CG-CD2 4.41Å; L190-L192 PolarHBondContact O-N 2.98Å
193	T	87.1	Confident	74.3	Confident	7 Å²	7	33.6 Å²	33.6	4%	0.043	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	147	170.1	175	0	0	0	0	109.5	G54 L55 I68 K72 R74 M80	G54-T193 CarbonylContact C-O 3.46Å; G54-T193 WeakPolarHBondContact CA-O 3.46Å; L55-T193 HydrophobicContact CB-CG2 4.07Å; L55-T193 PolarHBondContact N-O 3.46Å; L55-T193 PolarHBondContact O-N 3.16Å; I68-T193 HydrophobicContact CG2-CG2 3.44Å; I68-T193 VanDerWaalsContact CG2-CG2 3.44Å; K72-T193 HydrophobicContact CD-CG2 3.84Å; K72-T193 HydrophobicContact CG-CG2 4.03Å; R74-T193 PolarHBondContact NH2-OG1 3.21Å; M80-T193 HydrophobicContact SD-CG2 4.32Å
194	S	80.9	Confident	74.4	Confident	44 Å²	44	39.3 Å²	39.3	31%	0.308	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-50.7	141.8	169.8	55.5	0	0	0	0	112.2	K72 N196	K72-S194 PolarHBondContact NZ-O 3.08Å; K72-S194 VanDerWaalsContact NZ-O 3.07Å; S194-N196 VanDerWaalsContact C-OD1 3.31Å; S194-N196 WeakPolarHBondContact CB-OD1 3.42Å; S194-N196 PolarHBondContact O-N 3.44Å; S194-N196 PolarHBondContact O-OD1 3.36Å; S194-N196 PolarHBondContact OG-OD1 3.21Å
195	A	76.4	Confident	73.8	Confident	7 Å²	7	42 Å²	42	6%	0.058	26%	0.258	C	S	.	.	S	Bend	trans	-81.2	29.3	-171.7	0	0	0	0	0	114.2	Y53 L55 A203 W239	Y53-A195 VanDerWaalsContact C-CB 3.5Å; Y53-A195 WeakPolarHBondContact O-CB 3.37Å; Y53-A195 PolarHBondContact O-N 3.26Å; L55-A195 HydrophobicContact CG-CB 4.26Å; A195-A203 HydrophobicContact CB-CB 4.07Å; A195-A203 WeakPolarHBondContact O-CB 3.33Å; A195-W239 WeakPolarHBondContact O-CH2 3.4Å; A195-W239 WeakPolarHBondContact O-CZ2 3.08Å
196	N	68.3	Low	72.7	Confident	21 Å²	21	39.5 Å²	39.5	11%	0.112	24%	0.239	C	C	.	.	S	Bend	trans	-108.9	154.3	173.7	56.9	-46.8	0	0	0	112.3	K72 S194 Q200 P201	K72-N196 VanDerWaalsContact CD-O 3.31Å; K72-N196 WeakPolarHBondContact CD-O 3.4Å; K72-N196 WeakPolarHBondContact CE-O 3.27Å; K72-N196 VanDerWaalsContact NZ-C 3.27Å; K72-N196 VanDerWaalsContact NZ-N 3.15Å; K72-N196 PolarHBondContact NZ-O 2.8Å; S194-N196 VanDerWaalsContact C-OD1 3.31Å; S194-N196 WeakPolarHBondContact CB-OD1 3.42Å; S194-N196 PolarHBondContact O-N 3.44Å; S194-N196 PolarHBondContact O-OD1 3.36Å; S194-N196 PolarHBondContact OG-OD1 3.21Å; N196-Q200 PolarHBondContact ND2-O 3.34Å; N196-P201 WeakPolarHBondContact CB-O 3.27Å
197	L	64.3	Low	70.9	Confident	47 Å²	47	42 Å²	42	25%	0.246	25%	0.251	C	S	.	.			trans	-60.4	153.4	168.6	-67.8	171.3	0	0	0	110.4	I71 G199 Q200 W239 A241	I71-L197 WeakPolarHBondContact O-CD2 3.38Å; L197-G199 PolarHBondContact O-N 3.45Å; L197-G199 VanDerWaalsContact O-N 3.08Å; L197-Q200 HydrophobicContact CB-CB 4.12Å; L197-Q200 HydrophobicContact CB-CG 3.75Å; L197-Q200 PolarHBondContact O-N 3.25Å; L197-W239 HydrophobicContact CD2-CZ3 4.45Å; L197-W239 HydrophobicContact CG-CZ3 4.3Å; L197-A241 HydrophobicContact CD2-CB 3.91Å
198	S	61	Low	68.8	Low	48 Å²	48	44.4 Å²	44.4	34%	0.336	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	117.1	-179.2	-175.7	0	0	0	0	111.2	K72 K78	K72-S198 PolarHBondContact O-N 3.24Å; K72-S198 VanDerWaalsContact O-N 3.11Å; K78-S198 PolarHBondContact NZ-OG 3.47Å
199	G	62.2	Low	66.3	Low	72 Å²	72	49.4 Å²	49.4	74%	0.742	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.9	-5.4	-179.2	0	0	0	0	0	115.6	L197	L197-G199 PolarHBondContact O-N 3.45Å; L197-G199 VanDerWaalsContact O-N 3.08Å
200	Q	64.1	Low	63.8	Low	116 Å²	116	56.6 Å²	56.6	54%	0.542	32%	0.32	S	S	.	.	S	Bend	trans	-90.4	162.8	177.8	-64.6	-58.9	-30	0	0	112.4	N196 L197	N196-Q200 PolarHBondContact ND2-O 3.34Å; L197-Q200 HydrophobicContact CB-CB 4.12Å; L197-Q200 HydrophobicContact CB-CG 3.75Å; L197-Q200 PolarHBondContact O-N 3.25Å
201	P	46.6	Very low	61.1	Low	109 Å²	109	59.6 Å²	59.6	71%	0.708	34%	0.339	S	S	*	.	P	Polyproline II helix	trans	-57.8	148.5	174.1	-24.8	35	0	0	0	113.3	N196	N196-P201 WeakPolarHBondContact CB-O 3.27Å
202	S	58.4	Low	58.7	Low	60 Å²	60	63 Å²	63	42%	0.42	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-59.9	139.8	179.6	-62.7	0	0	0	0	113.3	I52 I204	I52-S202 WeakPolarHBondContact CD1-OG 3.25Å; S202-I204 PolarHBondContact O-N 3.17Å; S202-I204 VanDerWaalsContact O-N 3.14Å
203	A	56	Low	56.7	Low	13 Å²	13	69 Å²	69	11%	0.107	40%	0.401	C	S	.	.			trans	-74.1	105.3	173.4	0	0	0	0	0	110.9	Y53 A195 W239	Y53-A203 PolarHBondContact N-O 3.14Å; A195-A203 HydrophobicContact CB-CB 4.07Å; A195-A203 WeakPolarHBondContact O-CB 3.33Å; A203-W239 HydrophobicContact CB-CZ2 4.31Å
204	I	57	Low	54.7	Low	130 Å²	130	79.9 Å²	79.9	67%	0.667	44%	0.441	S	S	*	.	S	Bend	trans	-87.5	-17.9	172.5	59.9	175.4	0	0	0	112.8	S202	S202-I204 PolarHBondContact O-N 3.17Å; S202-I204 VanDerWaalsContact O-N 3.14Å
205	Q	49.9	Very low	53	Low	123 Å²	123	80.2 Å²	80.2	58%	0.575	44%	0.444	S	S	*	.	S	Bend	trans	-136.7	149.7	179.1	-179	173	-26.8	0	0	109.8
206	I	52.1	Low	51.5	Low	12 Å²	12	87.9 Å²	87.9	6%	0.062	48%	0.483	C	S	.	.			trans	-95.5	131.9	171.4	-65.5	160.5	0	0	0	108.7	Y53 F224	Y53-I206 HydrophobicContact CD1-CD1 3.53Å; Y53-I206 HydrophobicContact CD1-CG1 3.97Å; Y53-I206 HydrophobicContact CD2-CD1 4.37Å; Y53-I206 HydrophobicContact CD2-CG1 4.09Å; Y53-I206 HydrophobicContact CE1-CD1 3.21Å; Y53-I206 HydrophobicContact CE1-CG1 3.98Å; Y53-I206 HydrophobicContact CE2-CD1 4.11Å; Y53-I206 HydrophobicContact CE2-CG1 4.09Å; Y53-I206 HydrophobicContact CG-CD1 4.11Å; Y53-I206 HydrophobicContact CG-CG1 4.03Å; I206-F224 HydrophobicContact CB-CD1 4.14Å; I206-F224 HydrophobicContact CD1-CB 4.05Å; I206-F224 HydrophobicContact CD1-CD1 3.75Å; I206-F224 HydrophobicContact CD1-CG 4.36Å; I206-F224 HydrophobicContact CG1-CD1 3.69Å; I206-F224 HydrophobicContact CG1-CE1 4.26Å; I206-F224 HydrophobicContact CG2-CB 4.1Å; I206-F224 HydrophobicContact CG2-CD1 3.32Å; I206-F224 HydrophobicContact CG2-CD2 4.48Å; I206-F224 HydrophobicContact CG2-CE1 3.78Å; I206-F224 HydrophobicContact CG2-CG 3.72Å
207	E	46.4	Very low	50.2	Low	53 Å²	53	91.7 Å²	91.7	25%	0.248	50%	0.503	C	S	.	.			trans	-133.4	133.9	166.1	-72.6	-154.3	101.7	0	0	109.9	K237 H238 W239	E207-K237 VanDerWaalsContact CD-CB 3.5Å; E207-K237 WeakPolarHBondContact OE1-CA 3.48Å; E207-K237 WeakPolarHBondContact OE1-CB 3.45Å; E207-K237 PolarHBondContact OE1-N 2.88Å; E207-K237 VanDerWaalsContact OE2-CB 3.23Å; E207-K237 WeakPolarHBondContact OE2-CB 3.46Å; E207-H238 WeakPolarHBondContact CB-O 3.42Å; E207-H238 PolarHBondContact OE2-N 3.46Å; E207-W239 WeakPolarHBondContact O-CB 3.4Å; E207-W239 VanDerWaalsContact O-CD1 3.29Å
208	L	45.5	Very low	49.2	Very low	50 Å²	50	94.1 Å²	94.1	26%	0.262	52%	0.522	S	S	.	.			trans	-96.4	130	168.4	-70.9	-177.2	0	0	0	109.7	I21 F224 W236	I21-L208 HydrophobicContact CD1-CD1 3.66Å; I21-L208 HydrophobicContact CD1-CG 4.01Å; I21-L208 HydrophobicContact CG1-CD1 3.65Å; I21-L208 HydrophobicContact CG1-CG 4.29Å; L208-F224 HydrophobicContact CD2-CD2 3.82Å; L208-F224 HydrophobicContact CD2-CE2 3.46Å; L208-F224 VanDerWaalsContact CD2-CE2 3.46Å; L208-F224 HydrophobicContact CD2-CZ 4.22Å; L208-W236 HydrophobicContact CB-CZ3 4.43Å
209	R	40.8	Very low	48.7	Very low	111 Å²	111	97.5 Å²	97.5	42%	0.419	54%	0.536	S	S	.	.			trans	-126.8	153	157.8	-120.9	-176.8	-79.3	-176.2	3	109.3	K237 H238	R209-K237 WeakPolarHBondContact CB-O 3.34Å; R209-K237 WeakPolarHBondContact CG-O 3.42Å; R209-K237 PolarHBondContact NE-O 3.18Å; R209-K237 VanDerWaalsContact NH2-C 3.35Å; R209-K237 VanDerWaalsContact NH2-CB 3.28Å; R209-H238 WeakPolarHBondContact CD-CD2 3.46Å; R209-H238 VanDerWaalsContact CZ-ND1 3.32Å; R209-H238 VanDerWaalsContact NE-CA 3.29Å; R209-H238 PolarHBondContact NE-CD2 2.72Å; R209-H238 PolarHBondContact NH1-CE1 3.2Å; R209-H238 PolarHBondContact NH2-ND1 3.03Å
210	L	41.7	Very low	48.2	Very low	151 Å²	151	97.3 Å²	97.3	79%	0.791	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-72.7	152.5	175	-65.6	170.4	0	0	0	110.2
211	P	38.7	Very low	47.8	Very low	63 Å²	63	93.1 Å²	93.1	41%	0.409	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-62.6	150.7	171.5	29.5	-36.4	0	0	0	110.6	C215 L219	P211-C215 HydrophobicContact CB-CB 4.14Å; P211-L219 HydrophobicContact CG-CD2 3.77Å; P211-L219 HydrophobicContact CG-CG 4.38Å
212	P	43.6	Very low	48.5	Very low	72 Å²	72	88.6 Å²	88.6	47%	0.468	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-63	147.8	174.6	25.3	-30.9	0	0	0	110.2	R214 C215	P212-R214 PolarHBondContact O-N 3.45Å; P212-C215 HydrophobicContact CG-CB 4.02Å; P212-C215 WeakPolarHBondContact O-CB 3.48Å; P212-C215 PolarHBondContact O-N 3.24Å
213	P	49.6	Very low	48.8	Very low	139 Å²	139	87.2 Å²	87.2	90%	0.903	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	5.9	-169.3	26.5	-36.4	0	0	0	115.8
214	R	46	Very low	49.3	Very low	236 Å²	236	87.7 Å²	87.7	89%	0.891	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.3	7.6	175	-57.2	-173.4	-176	-155.4	1	112.9	P212 N216	P212-R214 PolarHBondContact O-N 3.45Å; R214-N216 PolarHBondContact O-N 3.3Å
215	C	43.5	Very low	49.6	Very low	52 Å²	52	81.6 Å²	81.6	35%	0.351	42%	0.424	S	S	.	.			trans	-86.8	100.5	-179	-141.5	0	0	0	0	110.3	P211 P212 L217	P211-C215 HydrophobicContact CB-CB 4.14Å; P212-C215 HydrophobicContact CG-CB 4.02Å; P212-C215 WeakPolarHBondContact O-CB 3.48Å; P212-C215 PolarHBondContact O-N 3.24Å; C215-L217 PolarHBondContact O-N 3.03Å
216	N	45.6	Very low	50.2	Low	167 Å²	167	76 Å²	76	89%	0.893	40%	0.398	S	S	*	.			trans	-79.3	10.5	172.7	-74.4	-4.7	0	0	0	113.2	R214	R214-N216 PolarHBondContact O-N 3.3Å
217	L	41.8	Very low	50.3	Low	102 Å²	102	78.9 Å²	78.9	53%	0.534	41%	0.413	S	S	.	.	S	Bend	trans	-69.6	138.4	172.9	-70.1	173.9	0	0	0	109.8	C215 L219	C215-L217 PolarHBondContact O-N 3.03Å; L217-L219 PolarHBondContact O-N 3.24Å
218	P	42.4	Very low	50.2	Low	97 Å²	97	80.4 Å²	80.4	63%	0.63	42%	0.423	S	S	*	.			trans	-59.4	134.3	178	24.7	-33.5	0	0	0	110.5	I220	P218-I220 WeakPolarHBondContact O-CG1 3.49Å; P218-I220 PolarHBondContact O-N 3.19Å
219	L	50.3	Low	50.2	Low	120 Å²	120	87.4 Å²	87.4	63%	0.628	45%	0.452	S	S	*	.			trans	-63.6	90.3	179.6	-95.2	164.5	0	0	0	111.3	P211 L217 T221	P211-L219 HydrophobicContact CG-CD2 3.77Å; P211-L219 HydrophobicContact CG-CG 4.38Å; L217-L219 PolarHBondContact O-N 3.24Å; L219-T221 PolarHBondContact O-N 3.13Å
220	I	53	Low	50.3	Low	67 Å²	67	89.1 Å²	89.1	34%	0.344	46%	0.459	S	S	.	.			trans	-69	103.5	177.7	-46.8	-175.1	0	0	0	109.2	R67 I71 P218 V222	R67-I220 HydrophobicContact CG-CG2 3.69Å; I71-I220 HydrophobicContact CD1-CG2 3.71Å; I71-I220 HydrophobicContact CG1-CB 4.44Å; I71-I220 HydrophobicContact CG1-CD1 4.03Å; I71-I220 HydrophobicContact CG1-CG2 3.68Å; P218-I220 WeakPolarHBondContact O-CG1 3.49Å; P218-I220 PolarHBondContact O-N 3.19Å; I220-V222 PolarHBondContact O-N 3.49Å
221	T	55.7	Low	50	Low	28 Å²	28	87.7 Å²	87.7	17%	0.172	46%	0.456	C	S	.	.			trans	-81	107.6	180	-67.3	0	0	0	0	110	K20 R67 L219 Y223	K20-T221 HydrophobicContact CD-CG2 3.83Å; K20-T221 HydrophobicContact CG-CG2 4.1Å; K20-T221 PolarHBondContact NZ-OG1 3.31Å; R67-T221 PolarHBondContact NH2-O 3.39Å; L219-T221 PolarHBondContact O-N 3.13Å; T221-Y223 HydrophobicContact CG2-CD2 3.96Å; T221-Y223 HydrophobicContact CG2-CE2 3.54Å
222	V	61	Low	49.8	Very low	14 Å²	14	89.5 Å²	89.5	9%	0.085	46%	0.462	C	S	.	.	P	Polyproline II helix	trans	-98.2	134.2	166.7	177.3	0	0	0	0	108	V44 A46 L55 I71 I220 F224	V44-V222 HydrophobicContact CG1-CG1 4.46Å; V44-V222 HydrophobicContact CG1-CG2 4.2Å; A46-V222 HydrophobicContact CB-CG1 3.89Å; L55-V222 HydrophobicContact CD2-CG1 3.69Å; L55-V222 HydrophobicContact CD2-CG2 4.47Å; I71-V222 HydrophobicContact CD1-CG2 3.7Å; I220-V222 PolarHBondContact O-N 3.49Å; V222-F224 HydrophobicContact CB-CD2 4.48Å; V222-F224 HydrophobicContact CB-CE2 3.79Å; V222-F224 HydrophobicContact CB-CZ 4.05Å; V222-F224 HydrophobicContact CG1-CD2 4.27Å; V222-F224 HydrophobicContact CG1-CE1 4.26Å; V222-F224 HydrophobicContact CG1-CE2 3.84Å; V222-F224 HydrophobicContact CG1-CZ 3.85Å; V222-F224 VanDerWaalsContact O-CD2 3.3Å; V222-F224 WeakPolarHBondContact O-CD2 3.4Å; V222-F224 WeakPolarHBondContact O-CE2 3.38Å
223	Y	64.2	Low	49.2	Very low	31 Å²	31	92.9 Å²	92.9	12%	0.122	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	121	176.3	-69.3	-98.9	0	0	0	110.3	Y13 K20 L37 V44 V45 A46 T221	Y13-Y223 WeakPolarHBondContact CE1-OH 3.42Å; K20-Y223 CarbonylContact O-C 3.58Å; K20-Y223 WeakPolarHBondContact O-CA 3.23Å; L37-Y223 HydrophobicContact CD1-CD1 3.66Å; L37-Y223 HydrophobicContact CD1-CD2 3.62Å; L37-Y223 HydrophobicContact CD1-CE1 3.73Å; L37-Y223 HydrophobicContact CD1-CE2 3.67Å; L37-Y223 HydrophobicContact CD1-CG 3.59Å; L37-Y223 HydrophobicContact CD2-CD2 3.9Å; L37-Y223 HydrophobicContact CD2-CE2 4.27Å; L37-Y223 HydrophobicContact CD2-CG 4.38Å; L37-Y223 HydrophobicContact CG-CD2 4.11Å; L37-Y223 HydrophobicContact CG-CE2 4.06Å; V44-Y223 PolarHBondContact O-N 3.08Å; V44-Y223 VanDerWaalsContact O-N 3.17Å; V45-Y223 CarbonylContact C-O 3.52Å; V45-Y223 VanDerWaalsContact CA-O 3.24Å; V45-Y223 WeakPolarHBondContact CA-O 3.32Å; A46-Y223 PolarHBondContact N-O 3.31Å; T221-Y223 HydrophobicContact CG2-CD2 3.96Å; T221-Y223 HydrophobicContact CG2-CE2 3.54Å
224	F	66.2	Low	48.2	Very low	23 Å²	23	93.6 Å²	93.6	10%	0.101	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	127.4	-170.9	-70	-91.1	0	0	0	111.6	K20 I21 I22 A46 I206 L208 V222	K20-F224 PolarHBondContact O-N 3.05Å; I21-F224 CarbonylContact C-O 3.57Å; I21-F224 VanDerWaalsContact CA-O 3.3Å; I21-F224 WeakPolarHBondContact CA-O 3.36Å; I21-F224 HydrophobicContact CG1-CB 4.25Å; I21-F224 HydrophobicContact CG2-CB 4.35Å; I22-F224 PolarHBondContact N-O 3.2Å; A46-F224 HydrophobicContact CB-CD1 3.33Å; A46-F224 HydrophobicContact CB-CE1 3.65Å; A46-F224 HydrophobicContact CB-CG 4.05Å; I206-F224 HydrophobicContact CB-CD1 4.14Å; I206-F224 HydrophobicContact CD1-CB 4.05Å; I206-F224 HydrophobicContact CD1-CD1 3.75Å; I206-F224 HydrophobicContact CD1-CG 4.36Å; I206-F224 HydrophobicContact CG1-CD1 3.69Å; I206-F224 HydrophobicContact CG1-CE1 4.26Å; I206-F224 HydrophobicContact CG2-CB 4.1Å; I206-F224 HydrophobicContact CG2-CD1 3.32Å; I206-F224 HydrophobicContact CG2-CD2 4.48Å; I206-F224 HydrophobicContact CG2-CE1 3.78Å; I206-F224 HydrophobicContact CG2-CG 3.72Å; L208-F224 HydrophobicContact CD2-CD2 3.82Å; L208-F224 HydrophobicContact CD2-CE2 3.46Å; L208-F224 VanDerWaalsContact CD2-CE2 3.46Å; L208-F224 HydrophobicContact CD2-CZ 4.22Å; V222-F224 HydrophobicContact CB-CD2 4.48Å; V222-F224 HydrophobicContact CB-CE2 3.79Å; V222-F224 HydrophobicContact CB-CZ 4.05Å; V222-F224 HydrophobicContact CG1-CD2 4.27Å; V222-F224 HydrophobicContact CG1-CE1 4.26Å; V222-F224 HydrophobicContact CG1-CE2 3.84Å; V222-F224 HydrophobicContact CG1-CZ 3.85Å; V222-F224 VanDerWaalsContact O-CD2 3.3Å; V222-F224 WeakPolarHBondContact O-CD2 3.4Å; V222-F224 WeakPolarHBondContact O-CE2 3.38Å
225	L	64.4	Low	47.3	Very low	2 Å²	2	87.1 Å²	87.1	1%	0.01	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	107	178.6	-76.3	153.5	0	0	0	108.8	I22 V24 A27 I34 V45 A46 L47 P48 Y53 F148	I22-L225 HydrophobicContact CB-CD2 3.84Å; I22-L225 HydrophobicContact CG2-CD2 4.11Å; I22-L225 CarbonylContact O-C 3.47Å; I22-L225 VanDerWaalsContact O-CA 3.31Å; I22-L225 WeakPolarHBondContact O-CA 3.32Å; V24-L225 HydrophobicContact CG2-CB 4.38Å; A27-L225 HydrophobicContact CB-CD2 3.25Å; I34-L225 HydrophobicContact CD1-CD1 4.25Å; I34-L225 HydrophobicContact CD1-CD2 3.69Å; I34-L225 HydrophobicContact CG2-CD1 4.04Å; V45-L225 HydrophobicContact CB-CD1 4.34Å; V45-L225 HydrophobicContact CG1-CD1 4.47Å; A46-L225 WeakPolarHBondContact O-CB 3.33Å; A46-L225 PolarHBondContact O-N 3.39Å; L47-L225 HydrophobicContact CD2-CB 4.27Å; L47-L225 HydrophobicContact CD2-CD1 3.38Å; L47-L225 HydrophobicContact CD2-CG 4.42Å; P48-L225 WeakPolarHBondContact CD-O 3.26Å; P48-L225 WeakPolarHBondContact CG-O 3.36Å; Y53-L225 WeakPolarHBondContact CE1-O 3.46Å; F148-L225 HydrophobicContact CE1-CD1 4.15Å; F148-L225 HydrophobicContact CE1-CD2 4.39Å; F148-L225 HydrophobicContact CZ-CD1 4.22Å; F148-L225 HydrophobicContact CZ-CD2 4.08Å
226	C	61	Low	46.6	Very low	6 Å²	6	94.2 Å²	94.2	4%	0.041	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	132.1	-168.9	-169.7	0	0	0	0	112.7	I21 I22 N23 V24	I21-C226 HydrophobicContact CG2-CB 4.21Å; I22-C226 PolarHBondContact O-N 2.86Å; N23-C226 CarbonylContact C-O 3.53Å; N23-C226 WeakPolarHBondContact CA-O 3.49Å; V24-C226 WeakPolarHBondContact CG2-O 3.35Å; V24-C226 PolarHBondContact N-O 3.12Å
227	L	54.9	Low	45.8	Very low	72 Å²	72	90.9 Å²	90.9	38%	0.377	46%	0.456	S	S	.	.			trans	-74.5	126.7	172.4	-76.4	170.9	0	0	0	111	V24 P48 K229 Y230	V24-L227 HydrophobicContact CB-CD2 3.94Å; V24-L227 HydrophobicContact CG1-CD2 3.95Å; V24-L227 HydrophobicContact CG2-CD2 3.98Å; V24-L227 HydrophobicContact CG2-CG 4.25Å; P48-L227 HydrophobicContact CB-CD1 3.75Å; P48-L227 HydrophobicContact CB-CG 3.77Å; P48-L227 HydrophobicContact CG-CD1 4.26Å; P48-L227 HydrophobicContact CG-CD2 4.42Å; P48-L227 HydrophobicContact CG-CG 3.79Å; L227-K229 PolarHBondContact O-N 3.38Å; L227-Y230 PolarHBondContact O-N 2.8Å; L227-Y230 VanDerWaalsContact O-N 3.12Å
228	N	45.2	Very low	45.5	Very low	86 Å²	86	90.2 Å²	90.2	46%	0.46	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	1.7	-179.7	-126.8	-19.2	0	0	0	116.3	N23 K25	N23-N228 PolarHBondContact ND2-ND2 2.76Å; N23-N228 PolarHBondContact ND2-OD1 3.44Å; N23-N228 WeakPolarHBondContact OD1-CB 3.23Å; N23-N228 PolarHBondContact OD1-ND2 3Å; K25-N228 HydrophobicContact CD-CB 4.46Å; K25-N228 WeakPolarHBondContact CD-ND2 3.45Å; K25-N228 HydrophobicContact CG-CB 4.47Å
229	K	43.9	Very low	44.9	Very low	197 Å²	197	89.6 Å²	89.6	86%	0.857	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-20.6	174.4	-91.2	-168.5	172.8	-174.6	0	113.6	L227	L227-K229 PolarHBondContact O-N 3.38Å
230	Y	42.8	Very low	44	Very low	147 Å²	147	86.5 Å²	86.5	58%	0.576	42%	0.421	S	S	*	.	S	Bend	trans	-95.9	104.7	172.1	-62.6	-73.5	0	0	0	107.8	L227 L232	L227-Y230 PolarHBondContact O-N 2.8Å; L227-Y230 VanDerWaalsContact O-N 3.12Å; Y230-L232 PolarHBondContact O-N 3.42Å
231	T	35.8	Very low	43.1	Very low	120 Å²	120	85.8 Å²	85.8	74%	0.736	43%	0.425	S	S	*	.			trans	-57.6	110.5	174.6	21.1	0	0	0	0	109.3	L233	T231-L233 PolarHBondContact O-N 3.21Å
232	L	34.6	Very low	41.8	Very low	101 Å²	101	90.9 Å²	90.9	53%	0.529	45%	0.45	S	S	.	.			trans	-69.5	76.6	159	-73.2	168.5	0	0	0	107.2	I21 Y230	I21-L232 HydrophobicContact CG2-CD1 4.48Å; Y230-L232 PolarHBondContact O-N 3.42Å
233	L	32.1	Very low	40.2	Very low	143 Å²	143	94.3 Å²	94.3	75%	0.749	47%	0.474	S	S	*	.			trans	-66.1	134	169.6	-96.4	160.5	0	0	0	108.6	T231 T235	T231-L233 PolarHBondContact O-N 3.21Å; L233-T235 PolarHBondContact O-N 2.77Å
234	D	27.2	Very low	38.6	Very low	155 Å²	155	101.4 Å²	101.4	83%	0.829	53%	0.529	S	S	*	.	S	Bend	trans	-60.1	93	-177.7	-61.3	-74.1	0	0	0	111.9
235	T	28.5	Very low	37.2	Very low	99 Å²	99	105.3 Å²	105.3	61%	0.607	55%	0.55	S	S	*	.			trans	175.6	107.2	139.2	33	0	0	0	0	112.2	L233 K237	L233-T235 PolarHBondContact O-N 2.77Å; T235-K237 PolarHBondContact O-NZ 2.69Å; T235-K237 PolarHBondContact OG1-NZ 2.9Å
236	W	27.2	Very low	35.8	Very low	201 Å²	201	110.7 Å²	110.7	76%	0.761	58%	0.578	S	S	*	*			trans	-24.4	125.9	164.6	-48.9	78.2	0	0	0	119.3	L208	L208-W236 HydrophobicContact CB-CZ3 4.43Å
237	K	29.8	Very low	34.4	Very low	98 Å²	98	116.6 Å²	116.6	43%	0.426	61%	0.608	S	S	.	*			trans	-132.1	-143.5	152.2	-68.7	93	-152.8	167.8	0	111.4	E207 R209 T235	E207-K237 VanDerWaalsContact CD-CB 3.5Å; E207-K237 WeakPolarHBondContact OE1-CA 3.48Å; E207-K237 WeakPolarHBondContact OE1-CB 3.45Å; E207-K237 PolarHBondContact OE1-N 2.88Å; E207-K237 VanDerWaalsContact OE2-CB 3.23Å; E207-K237 WeakPolarHBondContact OE2-CB 3.46Å; R209-K237 WeakPolarHBondContact CB-O 3.34Å; R209-K237 WeakPolarHBondContact CG-O 3.42Å; R209-K237 PolarHBondContact NE-O 3.18Å; R209-K237 VanDerWaalsContact NH2-C 3.35Å; R209-K237 VanDerWaalsContact NH2-CB 3.28Å; T235-K237 PolarHBondContact O-NZ 2.69Å; T235-K237 PolarHBondContact OG1-NZ 2.9Å
238	H	36	Very low	33.2	Very low	87 Å²	87	119.2 Å²	119.2	40%	0.403	62%	0.622	S	S	.	*			trans	-101.4	139.1	-147.1	-114.2	154.4	0	0	0	120.8	E207 R209 T240	E207-H238 WeakPolarHBondContact CB-O 3.42Å; E207-H238 PolarHBondContact OE2-N 3.46Å; R209-H238 WeakPolarHBondContact CD-CD2 3.46Å; R209-H238 VanDerWaalsContact CZ-ND1 3.32Å; R209-H238 VanDerWaalsContact NE-CA 3.29Å; R209-H238 PolarHBondContact NE-CD2 2.72Å; R209-H238 PolarHBondContact NH1-CE1 3.2Å; R209-H238 PolarHBondContact NH2-ND1 3.03Å; H238-T240 PolarHBondContact CD2-OG1 2.84Å; H238-T240 PolarHBondContact CE1-OG1 3.21Å; H238-T240 PolarHBondContact ND1-OG1 2.66Å; H238-T240 PolarHBondContact NE2-OG1 3.25Å
239	W	28.6	Very low	32.5	Very low	85 Å²	85	121.3 Å²	121.3	32%	0.322	63%	0.632	S	S	.	*			trans	-128.4	117.1	131.7	-105.9	73.8	0	0	0	111.7	A195 L197 A203 E207	A195-W239 WeakPolarHBondContact O-CH2 3.4Å; A195-W239 WeakPolarHBondContact O-CZ2 3.08Å; L197-W239 HydrophobicContact CD2-CZ3 4.45Å; L197-W239 HydrophobicContact CG-CZ3 4.3Å; A203-W239 HydrophobicContact CB-CZ2 4.31Å; E207-W239 WeakPolarHBondContact O-CB 3.4Å; E207-W239 VanDerWaalsContact O-CD1 3.29Å
240	T	31.3	Very low	31.7	Very low	54 Å²	54	116.2 Å²	116.2	33%	0.331	62%	0.617	S	S	.	*			trans	-125.5	105.8	169.1	-17.8	0	0	0	0	108.7	H238 I242	H238-T240 PolarHBondContact CD2-OG1 2.84Å; H238-T240 PolarHBondContact CE1-OG1 3.21Å; H238-T240 PolarHBondContact ND1-OG1 2.66Å; H238-T240 PolarHBondContact NE2-OG1 3.25Å; T240-I242 VanDerWaalsContact C-N 3.33Å; T240-I242 HydrophobicContact CG2-CD1 4.32Å; T240-I242 HydrophobicContact CG2-CG1 3.65Å; T240-I242 PolarHBondContact O-N 2.85Å
241	A	34.9	Very low	30.9	Very low	53 Å²	53	114 Å²	114	44%	0.438	62%	0.62	S	S	.	*			trans	-79.4	88.9	160.2	0	0	0	0	0	107.4	L197 S243	L197-A241 HydrophobicContact CD2-CB 3.91Å; A241-S243 PolarHBondContact O-N 3.04Å
242	I	29	Very low	30.5	Very low	134 Å²	134	113.5 Å²	113.5	69%	0.687	61%	0.611	S	S	*	*			trans	-77	100.6	173.6	-58.1	177.8	0	0	0	107.5	T240	T240-I242 VanDerWaalsContact C-N 3.33Å; T240-I242 HydrophobicContact CG2-CD1 4.32Å; T240-I242 HydrophobicContact CG2-CG1 3.65Å; T240-I242 PolarHBondContact O-N 2.85Å
243	S	27.2	Very low	30.2	Very low	86 Å²	86	114.6 Å²	114.6	60%	0.601	62%	0.618	S	S	*	*			trans	-80.8	110.3	151.4	56.9	0	0	0	0	107.9	A241	A241-S243 PolarHBondContact O-N 3.04Å
244	S	30.6	Very low	30	Very low	180 Å²	180	112 Å²	112	100%	1.259	61%	0.606	S	S	*	*			trans	-75	0	152.8	56.5	0	0	0	0	109.3

Retrieved 244 of 244 residues in 109.8 ms (Link to these results)

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