G4VFF8_SCHMA Loading...

glycerophosphocholine cholinephosphodiesterase

Choline-specific glycerophosphodiesterase that hydrolyzes glycerophosphocholine (GPC) and lysophosphatidylcholine (LPC) and contributes to supplying choline to the cells. Has a preference for LPC with short (12:0 and 14:0) or polyunsaturated (18:2 and 20:4) fatty acids. In vitro, hydrolyzes only choline-containing lysophospholipids, such as sphingosylphosphorylcholine (SPC), platelet-activating factor (PAF) and lysoPAF, but not other lysophospholipids.

AlphaFold DB , UniProt , Accession G4VFF8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 516 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	49.3	Very low	60	Low	247 Å²	247	128.8 Å²	128.8	100%	1.217	63%	0.627	S	S	*	*				0	110.4	0	-131	156.9	77.1	0	0	106.5
2	N	56	Low	59.6	Low	109 Å²	109	131.8 Å²	131.8	58%	0.583	63%	0.628	S	S	*	*			trans	-87.6	140	-151.1	-147.2	-15.6	0	0	0	110.9	Y4 T5	N2-Y4 PolarHBondContact O-N 3.05Å; N2-T5 WeakPolarHBondContact O-CB 3.28Å; N2-T5 PolarHBondContact O-N 3.33Å; N2-T5 PolarHBondContact O-OG1 3.07Å; N2-T5 VanDerWaalsContact O-OG1 3.13Å
3	I	64	Low	58.6	Low	125 Å²	125	130.9 Å²	130.9	64%	0.641	63%	0.629	S	S	*	*	H	α-helix	trans	-55.7	-27.2	-177.4	-118.3	159.2	0	0	0	112	T5 F6 L7	I3-T5 PolarHBondContact O-N 3.36Å; I3-F6 PolarHBondContact O-N 3.24Å; I3-L7 HydrophobicContact CG2-CD1 4.46Å; I3-L7 PolarHBondContact O-N 3.36Å
4	Y	62	Low	57.8	Low	177 Å²	177	133.9 Å²	133.9	69%	0.694	64%	0.638	S	S	*	*	H	α-helix	trans	-66.6	-30.9	174.7	-70.5	-79.5	0	0	0	114	N2 Y8	N2-Y4 PolarHBondContact O-N 3.05Å; Y4-Y8 WeakPolarHBondContact O-CB 3.43Å; Y4-Y8 PolarHBondContact O-N 3.4Å
5	T	65.8	Low	56.9	Low	84 Å²	84	133.3 Å²	133.3	52%	0.515	64%	0.64	S	S	.	*	H	α-helix	trans	-74.4	-29.8	178	-27.5	0	0	0	0	111.3	N2 I3 I9	N2-T5 WeakPolarHBondContact O-CB 3.28Å; N2-T5 PolarHBondContact O-N 3.33Å; N2-T5 PolarHBondContact O-OG1 3.07Å; N2-T5 VanDerWaalsContact O-OG1 3.13Å; I3-T5 PolarHBondContact O-N 3.36Å; T5-I9 WeakPolarHBondContact O-CD1 3.3Å; T5-I9 VanDerWaalsContact O-CG1 3.31Å; T5-I9 WeakPolarHBondContact O-CG1 3.28Å; T5-I9 PolarHBondContact O-N 3.41Å
6	F	61.2	Low	55.9	Low	151 Å²	151	131.6 Å²	131.6	66%	0.662	64%	0.641	S	S	*	*	H	α-helix	trans	-75.9	-37.6	176.2	-155.8	-97.5	0	0	0	112	I3 L10	I3-F6 PolarHBondContact O-N 3.24Å; F6-L10 HydrophobicContact CD1-CD1 3.77Å; F6-L10 HydrophobicContact CE1-CD1 3.78Å; F6-L10 PolarHBondContact O-N 3.23Å; F6-L10 VanDerWaalsContact O-N 3.12Å
7	L	63.4	Low	55	Low	104 Å²	104	132.1 Å²	132.1	55%	0.545	65%	0.647	S	S	.	*	H	α-helix	trans	-68.9	-34.3	172.5	-97.1	116.1	0	0	0	112.9	I3 L10 V11	I3-L7 HydrophobicContact CG2-CD1 4.46Å; I3-L7 PolarHBondContact O-N 3.36Å; L7-L10 PolarHBondContact O-N 3.19Å; L7-V11 WeakPolarHBondContact O-CG2 3.41Å; L7-V11 PolarHBondContact O-N 3.03Å
8	Y	62.8	Low	53.9	Low	165 Å²	165	131.8 Å²	131.8	65%	0.647	66%	0.66	S	S	*	*	H	α-helix	trans	-68	-36	177	-139.3	-93.1	0	0	0	112.1	Y4 Y12	Y4-Y8 WeakPolarHBondContact O-CB 3.43Å; Y4-Y8 PolarHBondContact O-N 3.4Å; Y8-Y12 HydrophobicContact CD1-CD2 4.17Å; Y8-Y12 HydrophobicContact CE1-CD2 4.03Å; Y8-Y12 HydrophobicContact CE1-CE2 4.02Å; Y8-Y12 WeakPolarHBondContact O-CB 3.38Å; Y8-Y12 PolarHBondContact O-N 3.2Å
9	I	61.1	Low	52.8	Low	99 Å²	99	129.5 Å²	129.5	51%	0.508	66%	0.658	S	S	.	*	H	α-helix	trans	-69.8	-38.4	174.6	-67.2	167.7	0	0	0	110.9	T5 Y12 L13	T5-I9 WeakPolarHBondContact O-CD1 3.3Å; T5-I9 VanDerWaalsContact O-CG1 3.31Å; T5-I9 WeakPolarHBondContact O-CG1 3.28Å; T5-I9 PolarHBondContact O-N 3.41Å; I9-Y12 PolarHBondContact O-N 3.21Å; I9-L13 HydrophobicContact CG2-CD1 3.76Å; I9-L13 HydrophobicContact CG2-CG 4.35Å; I9-L13 WeakPolarHBondContact O-CB 3.41Å; I9-L13 WeakPolarHBondContact O-CD1 3.47Å; I9-L13 WeakPolarHBondContact O-CG 3.3Å; I9-L13 PolarHBondContact O-N 3.23Å
10	L	53.7	Low	51.7	Low	75 Å²	75	129.4 Å²	129.4	39%	0.393	66%	0.664	S	S	.	*	H	α-helix	trans	-66	-40.5	174.3	-93.4	151.5	0	0	0	112.6	F6 L7 L13 F14	F6-L10 HydrophobicContact CD1-CD1 3.77Å; F6-L10 HydrophobicContact CE1-CD1 3.78Å; F6-L10 PolarHBondContact O-N 3.23Å; F6-L10 VanDerWaalsContact O-N 3.12Å; L7-L10 PolarHBondContact O-N 3.19Å; L10-L13 PolarHBondContact O-N 3.22Å; L10-F14 HydrophobicContact CD2-CD2 4.44Å; L10-F14 HydrophobicContact CD2-CE2 4.14Å; L10-F14 WeakPolarHBondContact O-CD2 3.41Å; L10-F14 PolarHBondContact O-N 3.19Å
11	V	60.9	Low	50.7	Low	81 Å²	81	128.7 Å²	128.7	49%	0.491	67%	0.665	S	S	.	*	H	α-helix	trans	-73.7	-27.7	178	175.4	0	0	0	0	112.4	L7 N15	L7-V11 WeakPolarHBondContact O-CG2 3.41Å; L7-V11 PolarHBondContact O-N 3.03Å; V11-N15 WeakPolarHBondContact O-CB 3.49Å; V11-N15 PolarHBondContact O-N 3.21Å; V11-N15 PolarHBondContact O-ND2 3.43Å
12	Y	54.9	Low	49.8	Very low	164 Å²	164	122.4 Å²	122.4	64%	0.643	64%	0.641	S	S	*	*	H	α-helix	trans	-78	-30.3	172.1	-115.5	-95.8	0	0	0	113.1	Y8 I9 F14	Y8-Y12 HydrophobicContact CD1-CD2 4.17Å; Y8-Y12 HydrophobicContact CE1-CD2 4.03Å; Y8-Y12 HydrophobicContact CE1-CE2 4.02Å; Y8-Y12 WeakPolarHBondContact O-CB 3.38Å; Y8-Y12 PolarHBondContact O-N 3.2Å; I9-Y12 PolarHBondContact O-N 3.21Å; Y12-F14 VanDerWaalsContact C-N 3.33Å
13	L	46.4	Very low	48.4	Very low	121 Å²	121	122.3 Å²	122.3	63%	0.634	65%	0.645	S	S	*	*	H	α-helix	trans	-73.1	-24.8	174.5	-74.2	168.1	0	0	0	112.7	I9 L10	I9-L13 HydrophobicContact CG2-CD1 3.76Å; I9-L13 HydrophobicContact CG2-CG 4.35Å; I9-L13 WeakPolarHBondContact O-CB 3.41Å; I9-L13 WeakPolarHBondContact O-CD1 3.47Å; I9-L13 WeakPolarHBondContact O-CG 3.3Å; I9-L13 PolarHBondContact O-N 3.23Å; L10-L13 PolarHBondContact O-N 3.22Å
14	F	47.8	Very low	46.7	Very low	173 Å²	173	121.8 Å²	121.8	76%	0.759	65%	0.648	S	S	*	*	S	Bend	trans	-95.5	-0.3	177.7	-85.1	-80.4	0	0	0	115.2	L10 Y12	L10-F14 HydrophobicContact CD2-CD2 4.44Å; L10-F14 HydrophobicContact CD2-CE2 4.14Å; L10-F14 WeakPolarHBondContact O-CD2 3.41Å; L10-F14 PolarHBondContact O-N 3.19Å; Y12-F14 VanDerWaalsContact C-N 3.33Å
15	N	43.5	Very low	45.2	Very low	124 Å²	124	119.6 Å²	119.6	66%	0.663	65%	0.646	S	S	*	*			trans	-116.9	18.6	-179.9	-89.4	-50.5	0	0	0	114.6	V11 N17	V11-N15 WeakPolarHBondContact O-CB 3.49Å; V11-N15 PolarHBondContact O-N 3.21Å; V11-N15 PolarHBondContact O-ND2 3.43Å; N15-N17 PolarHBondContact O-N 3.03Å
16	T	41.6	Very low	43.5	Very low	107 Å²	107	122.7 Å²	122.7	66%	0.656	66%	0.659	S	S	*	*	S	Bend	trans	-83.7	103.7	172	51.8	0	0	0	0	109.7
17	N	39.8	Very low	41.9	Very low	140 Å²	140	122 Å²	122	75%	0.749	66%	0.662	S	S	*	*			trans	19.3	105	159	-69.7	-28.7	0	0	0	115.9	N15 S19	N15-N17 PolarHBondContact O-N 3.03Å; N17-S19 PolarHBondContact O-N 3.12Å
18	S	35.4	Very low	40.1	Very low	127 Å²	127	124.4 Å²	124.4	89%	0.888	68%	0.676	S	S	*	*			trans	-59.4	68.1	151.4	-55.4	0	0	0	0	109.8	T20	S18-T20 PolarHBondContact O-N 2.98Å
19	S	32.8	Very low	38.5	Very low	87 Å²	87	120.7 Å²	120.7	61%	0.608	67%	0.667	S	S	*	*			trans	-73.1	106.5	154	-49.7	0	0	0	0	102.9	N17 V21	N17-S19 PolarHBondContact O-N 3.12Å; S19-V21 PolarHBondContact O-N 2.91Å
20	T	32.5	Very low	37	Very low	128 Å²	128	122 Å²	122	79%	0.785	69%	0.685	S	S	*	*			trans	-56.5	86.1	164	29.2	0	0	0	0	107.1	S18 T22	S18-T20 PolarHBondContact O-N 2.98Å; T20-T22 PolarHBondContact O-N 2.84Å
21	V	29.5	Very low	36	Very low	114 Å²	114	122.2 Å²	122.2	69%	0.691	69%	0.693	S	S	*	*			trans	-62.5	92.1	151.6	-180	0	0	0	0	102.5	S19 T23	S19-V21 PolarHBondContact O-N 2.91Å; V21-T23 HydrophobicContact CG1-CG2 4.3Å; V21-T23 PolarHBondContact O-N 3.34Å
22	T	30.4	Very low	34.9	Very low	116 Å²	116	121.7 Å²	121.7	71%	0.712	70%	0.703	S	S	*	*			trans	-56.9	88.7	151.5	21.3	0	0	0	0	103.7	T20 T24	T20-T22 PolarHBondContact O-N 2.84Å; T22-T24 PolarHBondContact O-N 3.19Å
23	T	27.9	Very low	35.1	Very low	107 Å²	107	116.5 Å²	116.5	66%	0.656	69%	0.691	S	S	*	*			trans	-54.7	96	146.5	34.3	0	0	0	0	102.9	V21 I25	V21-T23 HydrophobicContact CG1-CG2 4.3Å; V21-T23 PolarHBondContact O-N 3.34Å; T23-I25 PolarHBondContact O-N 3.41Å
24	T	28.1	Very low	36.8	Very low	114 Å²	114	112.6 Å²	112.6	70%	0.699	67%	0.674	S	S	*	*			trans	-50.4	86.9	143.3	37.5	0	0	0	0	104	T22 L26	T22-T24 PolarHBondContact O-N 3.19Å; T24-L26 PolarHBondContact O-N 3.01Å
25	I	30	Very low	39	Very low	130 Å²	130	104.9 Å²	104.9	67%	0.667	64%	0.642	S	S	*	*			trans	-53.7	96.1	144.1	-59.7	179.4	0	0	0	100.7	T23 D27	T23-I25 PolarHBondContact O-N 3.41Å; I25-D27 WeakPolarHBondContact CG2-OD1 3.32Å; I25-D27 PolarHBondContact O-N 2.73Å
26	L	29	Very low	41.6	Very low	150 Å²	150	100.1 Å²	100.1	79%	0.785	61%	0.614	S	S	*	*			trans	-58	89.3	152.7	-68.4	169.6	0	0	0	101.9	T24 N28	T24-L26 PolarHBondContact O-N 3.01Å; L26-N28 PolarHBondContact O-N 3.17Å
27	D	28.3	Very low	44.3	Very low	135 Å²	135	95 Å²	95	72%	0.722	58%	0.583	S	S	*	*			trans	-57.9	86.2	154	-88.3	-19	0	0	0	103	I25 D29	I25-D27 WeakPolarHBondContact CG2-OD1 3.32Å; I25-D27 PolarHBondContact O-N 2.73Å; D27-D29 HydrophobicContact CB-CB 4.45Å; D27-D29 PolarHBondContact O-N 3.25Å
28	N	25.8	Very low	47.1	Very low	156 Å²	156	88.3 Å²	88.3	83%	0.834	55%	0.547	S	S	*	.			trans	-73.9	48.3	158.9	-132.6	12.5	0	0	0	106.4	L26 S30	L26-N28 PolarHBondContact O-N 3.17Å; N28-S30 VanDerWaalsContact C-N 3.29Å; N28-S30 PolarHBondContact O-N 3.37Å
29	D	30	Very low	50.1	Low	87 Å²	87	82.3 Å²	82.3	47%	0.465	51%	0.505	S	S	.	.			trans	-81.2	91.4	161.9	-170.9	21.2	0	0	0	105.9	D27 S31 G32	D27-D29 HydrophobicContact CB-CB 4.45Å; D27-D29 PolarHBondContact O-N 3.25Å; D29-S31 PolarHBondContact O-N 3.06Å; D29-S31 WeakPolarHBondContact OD1-CA 3.48Å; D29-S31 WeakPolarHBondContact OD1-CB 3.38Å; D29-S31 PolarHBondContact OD1-N 3.44Å; D29-S31 PolarHBondContact OD1-OG 3.45Å; D29-S31 WeakPolarHBondContact OD2-CB 3.43Å; D29-S31 PolarHBondContact OD2-OG 2.95Å; D29-G32 PolarHBondContact O-N 3.02Å; D29-G32 VanDerWaalsContact O-N 3.13Å
30	S	29.7	Very low	53.2	Low	125 Å²	125	78.3 Å²	78.3	87%	0.874	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	12.7	163.6	36.3	0	0	0	0	112.4	N28	N28-S30 VanDerWaalsContact C-N 3.29Å; N28-S30 PolarHBondContact O-N 3.37Å
31	S	32.1	Very low	56.4	Low	81 Å²	81	72.2 Å²	72.2	57%	0.566	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	0.8	167.8	105.5	0	0	0	0	115.5	D29 S33	D29-S31 PolarHBondContact O-N 3.06Å; D29-S31 WeakPolarHBondContact OD1-CA 3.48Å; D29-S31 WeakPolarHBondContact OD1-CB 3.38Å; D29-S31 PolarHBondContact OD1-N 3.44Å; D29-S31 PolarHBondContact OD1-OG 3.45Å; D29-S31 WeakPolarHBondContact OD2-CB 3.43Å; D29-S31 PolarHBondContact OD2-OG 2.95Å; S31-S33 PolarHBondContact O-N 2.91Å
32	G	38	Very low	59.6	Low	69 Å²	69	67.1 Å²	67.1	71%	0.711	41%	0.408	S	S	*	.			trans	-77.4	9.7	-172.8	0	0	0	0	0	119.5	D29	D29-G32 PolarHBondContact O-N 3.02Å; D29-G32 VanDerWaalsContact O-N 3.13Å
33	S	58.5	Low	62.8	Low	56 Å²	56	61.7 Å²	61.7	39%	0.392	38%	0.375	S	S	.	.	S	Bend	trans	-94.4	113.5	175	171.6	0	0	0	0	110.5	S31 S35 N234	S31-S33 PolarHBondContact O-N 2.91Å; S33-S35 PolarHBondContact O-N 3.35Å; S33-N234 WeakPolarHBondContact CB-ND2 3.46Å; S33-N234 PolarHBondContact O-ND2 3.03Å
34	S	82.6	Confident	66.1	Low	38 Å²	38	56.9 Å²	56.9	27%	0.266	35%	0.347	S	S	.	.			trans	-40.6	134.5	170.7	-177.7	0	0	0	0	111.3	K135 S403	S34-K135 PolarHBondContact OG-NZ 3.45Å; S34-S403 VanDerWaalsContact OG-CB 3.25Å; S34-S403 WeakPolarHBondContact OG-CB 3.17Å
35	S	93.6	Very high	69.5	Low	12 Å²	12	51.5 Å²	51.5	8%	0.084	31%	0.314	C	S	.	.			trans	-61	148.5	172.8	-172	0	0	0	0	110.1	S33 N236 N376 L401 A402 S403	S33-S35 PolarHBondContact O-N 3.35Å; S35-N236 PolarHBondContact OG-ND2 2.72Å; S35-N376 PolarHBondContact OG-OD1 3.3Å; S35-L401 WeakPolarHBondContact CB-O 3.12Å; S35-L401 PolarHBondContact OG-O 3.5Å; S35-A402 CarbonylContact O-C 3.5Å; S35-S403 WeakPolarHBondContact CB-OG 3.35Å; S35-S403 PolarHBondContact N-OG 3Å; S35-S403 VanDerWaalsContact N-OG 3.08Å
36	R	97.1	Very high	72.7	Confident	23 Å²	23	46 Å²	46	9%	0.087	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	151.8	178.9	-63.3	172.9	-74.4	-168.2	-4.9	109.4	L181 K182 N187 P233 N234 L235 N236	R36-L181 HydrophobicContact CB-CD2 3.98Å; R36-L181 WeakPolarHBondContact CD-O 3.18Å; R36-L181 PolarHBondContact NH1-O 2.87Å; R36-K182 PolarHBondContact NH1-O 3.28Å; R36-K182 VanDerWaalsContact NH1-O 3.12Å; R36-N187 CarbonylContact C-O 3.51Å; R36-N187 VanDerWaalsContact CA-O 3.26Å; R36-N187 WeakPolarHBondContact CA-O 3.33Å; R36-P233 PolarHBondContact NH2-O 3.41Å; R36-N234 PolarHBondContact N-O 3.18Å; R36-L235 HydrophobicContact CB-CD1 3.99Å; R36-N236 PolarHBondContact O-N 2.96Å; R36-N236 PolarHBondContact O-ND2 2.77Å
37	L	98.4	Very high	76	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	126.1	-178	-178.7	62.8	0	0	0	111.6	V39 N187 L188 A189 N236 M238 M398 L401 A402	L37-V39 HydrophobicContact CD2-CG2 3.57Å; L37-V39 HydrophobicContact CG-CG2 3.74Å; L37-N187 PolarHBondContact N-O 3.47Å; L37-L188 HydrophobicContact CB-CD1 4.11Å; L37-L188 HydrophobicContact CD2-CD1 3.94Å; L37-L188 HydrophobicContact CG-CD1 4.14Å; L37-L188 WeakPolarHBondContact O-CA 3.37Å; L37-A189 PolarHBondContact O-N 2.95Å; L37-N236 WeakPolarHBondContact CA-O 3.45Å; L37-N236 HydrophobicContact CD1-CB 3.91Å; L37-M238 HydrophobicContact CD1-CB 3.93Å; L37-M398 HydrophobicContact CD2-CB 4.06Å; L37-M398 HydrophobicContact CD2-CG 4.11Å; L37-L401 HydrophobicContact CB-CB 4.44Å; L37-L401 HydrophobicContact CD1-CB 4.03Å; L37-L401 HydrophobicContact CD1-CD1 4.29Å; L37-L401 HydrophobicContact CD2-CB 4.05Å; L37-L401 HydrophobicContact CG-CB 4.4Å; L37-A402 HydrophobicContact CB-CB 3.85Å; L37-A402 HydrophobicContact CD2-CB 4.46Å
38	L	98.7	Very high	79.3	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	120.5	159	176.4	62.3	0	0	0	108.8	L40 I174 A177 V178 L181 A189 V191 I229 L235 N236 L237 M238	L38-L40 HydrophobicContact CD1-CD2 4.13Å; L38-L40 HydrophobicContact CD2-CD2 4.07Å; L38-L40 HydrophobicContact CG-CD2 3.98Å; L38-L40 HydrophobicContact CG-CG 4.46Å; L38-I174 HydrophobicContact CD2-CG2 4.33Å; L38-A177 HydrophobicContact CD1-CB 3.92Å; L38-V178 HydrophobicContact CD2-CG2 3.9Å; L38-L181 HydrophobicContact CB-CD1 3.82Å; L38-L181 HydrophobicContact CD1-CD1 4.36Å; L38-A189 CarbonylContact C-O 3.15Å; L38-A189 WeakPolarHBondContact CA-O 3.41Å; L38-A189 HydrophobicContact CD1-CB 4.25Å; L38-V191 HydrophobicContact CD1-CG2 3.91Å; L38-I229 HydrophobicContact CD2-CG2 4.32Å; L38-L235 HydrophobicContact CB-CD1 4.49Å; L38-N236 PolarHBondContact N-O 3.43Å; L38-L237 HydrophobicContact CD2-CD1 4.26Å; L38-L237 CarbonylContact O-C 3.54Å; L38-L237 VanDerWaalsContact O-CA 3.23Å; L38-L237 WeakPolarHBondContact O-CA 3.35Å; L38-M238 PolarHBondContact O-N 3.11Å
39	V	98.8	Very high	82.7	Confident	1 Å²	1	29.6 Å²	29.6	1%	0.006	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	120.7	170.5	-176.9	0	0	0	0	108.3	L37 L41 L188 A189 V190 V191 M238 M398	L37-V39 HydrophobicContact CD2-CG2 3.57Å; L37-V39 HydrophobicContact CG-CG2 3.74Å; V39-L41 HydrophobicContact CG1-CB 4.47Å; V39-L188 HydrophobicContact CG2-CD1 3.84Å; V39-A189 PolarHBondContact N-O 2.98Å; V39-V190 HydrophobicContact CB-CB 4.39Å; V39-V190 HydrophobicContact CB-CG1 4.05Å; V39-V190 HydrophobicContact CB-CG2 4.18Å; V39-V190 HydrophobicContact CG1-CG1 4.16Å; V39-V190 HydrophobicContact CG2-CG2 4.41Å; V39-V190 CarbonylContact O-C 3.46Å; V39-V190 WeakPolarHBondContact O-CA 2.91Å; V39-V191 PolarHBondContact O-N 3.11Å; V39-M238 CarbonylContact C-O 3.51Å; V39-M238 WeakPolarHBondContact CA-O 3.33Å; V39-M238 HydrophobicContact CG2-CB 4.42Å; V39-M398 HydrophobicContact CG2-SD 4.04Å
40	L	98.7	Very high	85.9	Confident	3 Å²	3	25.5 Å²	25.5	2%	0.016	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	106.3	165.4	-57	-173.1	0	0	0	107.2	L38 I174 V191 L222 A225 L237 M238 L239 T240	L38-L40 HydrophobicContact CD1-CD2 4.13Å; L38-L40 HydrophobicContact CD2-CD2 4.07Å; L38-L40 HydrophobicContact CG-CD2 3.98Å; L38-L40 HydrophobicContact CG-CG 4.46Å; L40-I174 HydrophobicContact CD1-CD1 4.38Å; L40-I174 HydrophobicContact CD2-CD1 4.07Å; L40-I174 HydrophobicContact CD2-CG1 3.9Å; L40-V191 HydrophobicContact CD2-CB 3.98Å; L40-V191 HydrophobicContact CD2-CG2 4.46Å; L40-L222 HydrophobicContact CD1-CD2 3.65Å; L40-A225 HydrophobicContact CD1-CB 4.43Å; L40-L237 HydrophobicContact CD1-CD1 3.92Å; L40-L237 HydrophobicContact CD1-CG 4.45Å; L40-L237 HydrophobicContact CG-CD1 4.35Å; L40-L237 HydrophobicContact CG-CG 4.47Å; L40-M238 PolarHBondContact N-O 3.01Å; L40-L239 HydrophobicContact CB-CD1 3.59Å; L40-L239 HydrophobicContact CD1-CD1 4.38Å; L40-L239 WeakPolarHBondContact O-CA 3.45Å; L40-T240 PolarHBondContact O-N 2.82Å; L40-T240 VanDerWaalsContact O-N 3.11Å
41	L	98.5	Very high	89.1	Confident	0 Å²	0	20.3 Å²	20.3	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	98.6	179.4	-173.6	66.7	0	0	0	108.5	V39 I88 L91 F92 V190 V191 Y192 Y193 T240	V39-L41 HydrophobicContact CG1-CB 4.47Å; L41-I88 HydrophobicContact CD2-CD1 4.33Å; L41-I88 HydrophobicContact CD2-CG1 4.09Å; L41-L91 HydrophobicContact CD1-CD1 3.91Å; L41-F92 HydrophobicContact CD2-CE2 4.39Å; L41-V190 HydrophobicContact CB-CG1 4.31Å; L41-V191 PolarHBondContact N-O 3.46Å; L41-Y192 HydrophobicContact CB-CD2 4.47Å; L41-Y192 HydrophobicContact CD2-CD2 4.04Å; L41-Y192 HydrophobicContact CG-CD2 4.2Å; L41-Y192 WeakPolarHBondContact O-CA 3.39Å; L41-Y193 PolarHBondContact O-N 3.25Å; L41-T240 WeakPolarHBondContact CA-O 3.2Å; L41-T240 HydrophobicContact CD1-CG2 3.88Å
42	I	98.2	Very high	92.2	Very high	6 Å²	6	17.5 Å²	17.5	3%	0.031	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	107	-177.1	-52.7	-55.6	0	0	0	107.9	L45 Y193 L196 L218 L239 T240 S241	I42-L45 HydrophobicContact CB-CB 4.21Å; I42-L45 HydrophobicContact CB-CD2 4.37Å; I42-L45 HydrophobicContact CG2-CB 4.22Å; I42-L45 HydrophobicContact CG2-CD1 4.16Å; I42-L45 WeakPolarHBondContact O-CB 3.38Å; I42-L45 PolarHBondContact O-N 3.2Å; I42-Y193 HydrophobicContact CD1-CD1 4.1Å; I42-Y193 HydrophobicContact CD1-CG 4.28Å; I42-Y193 HydrophobicContact CG2-CD1 4.24Å; I42-L196 HydrophobicContact CG2-CB 4.08Å; I42-L196 HydrophobicContact CG2-CD2 3.8Å; I42-L218 HydrophobicContact CG2-CD1 4.34Å; I42-L239 HydrophobicContact CD1-CD1 4.33Å; I42-L239 HydrophobicContact CG1-CD1 3.49Å; I42-L239 VanDerWaalsContact CG1-CD1 3.49Å; I42-T240 PolarHBondContact N-O 2.98Å; I42-S241 WeakPolarHBondContact O-CA 3.05Å; I42-S241 WeakPolarHBondContact O-CB 3.48Å; I42-S241 PolarHBondContact O-OG 3.24Å
43	D	97.4	Very high	94.9	Very high	2 Å²	2	14.9 Å²	14.9	1%	0.011	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	137.7	-177.8	-158.5	-48.4	0	0	0	111	L45 Y192 Y193 D194 D197 H243	D43-L45 VanDerWaalsContact C-N 3.26Å; D43-L45 PolarHBondContact O-N 3.3Å; D43-Y192 HydrophobicContact CB-CE2 3.77Å; D43-Y192 WeakPolarHBondContact OD2-CE2 3.46Å; D43-Y192 VanDerWaalsContact OD2-CZ 3.32Å; D43-Y192 PolarHBondContact OD2-OH 3.47Å; D43-Y193 PolarHBondContact N-O 3.47Å; D43-D194 HydrophobicContact CB-CB 4.27Å; D43-D197 HydrophobicContact CB-CB 3.91Å; D43-D197 PolarHBondContact O-N 3.06Å; D43-D197 WeakPolarHBondContact OD1-CB 3.27Å; D43-H243 IonicContact OD1-CE1 3.79Å; D43-H243 PolarHBondContact OD1-CE1 3.14Å; D43-H243 IonicContact OD1-ND1 3.12Å; D43-H243 IonicContact OD1-NE2 3.41Å; D43-H243 PolarHBondContact OD1-NE2 2.76Å
44	G	97.5	Very high	96.6	Very high	6 Å²	6	12.8 Å²	12.8	6%	0.062	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.9	15.8	178.3	0	0	0	0	0	115.6	R46 S241 H243	G44-R46 VanDerWaalsContact C-N 3.33Å; G44-R46 PolarHBondContact O-N 2.76Å; G44-S241 PolarHBondContact N-OG 3.21Å; G44-S241 VanDerWaalsContact N-OG 3.11Å; G44-H243 CarbonylContact C-O 3.44Å; G44-H243 WeakPolarHBondContact CA-O 3.5Å
45	L	97.9	Very high	97.2	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.005	10%	0.097	C	C	.	.			trans	-69.7	85.4	177.4	-166.1	74	0	0	0	111.3	I42 D43 I50 F63 L196 L239 S241 P369	I42-L45 HydrophobicContact CB-CB 4.21Å; I42-L45 HydrophobicContact CB-CD2 4.37Å; I42-L45 HydrophobicContact CG2-CB 4.22Å; I42-L45 HydrophobicContact CG2-CD1 4.16Å; I42-L45 WeakPolarHBondContact O-CB 3.38Å; I42-L45 PolarHBondContact O-N 3.2Å; D43-L45 VanDerWaalsContact C-N 3.26Å; D43-L45 PolarHBondContact O-N 3.3Å; L45-I50 HydrophobicContact CD1-CD1 3.44Å; L45-I50 VanDerWaalsContact CD1-CD1 3.44Å; L45-I50 HydrophobicContact CD1-CG1 3.78Å; L45-I50 HydrophobicContact CD2-CG1 4.39Å; L45-I50 HydrophobicContact CG-CD1 4.09Å; L45-I50 HydrophobicContact CG-CG1 3.86Å; L45-F63 HydrophobicContact CD1-CZ 4.29Å; L45-F63 HydrophobicContact CD2-CE1 4.46Å; L45-L196 HydrophobicContact CB-CD2 4.02Å; L45-L196 HydrophobicContact CD1-CD2 3.38Å; L45-L196 HydrophobicContact CG-CD2 4.31Å; L45-L239 HydrophobicContact CD2-CG 4.43Å; L45-S241 PolarHBondContact N-OG 2.96Å; L45-S241 VanDerWaalsContact N-OG 3.16Å; L45-P369 HydrophobicContact CD2-CG 3.87Å; L45-P369 HydrophobicContact CG-CG 4.06Å; L45-P369 WeakPolarHBondContact O-CD 3.32Å
46	R	98.1	Very high	97.1	Very high	14 Å²	14	23.7 Å²	23.7	5%	0.053	13%	0.125	C	C	.	.			trans	-71.6	135.2	179.1	178.8	178.4	158.6	158	7.4	112.4	G44 D48 V49 I50 M245 D365	G44-R46 VanDerWaalsContact C-N 3.33Å; G44-R46 PolarHBondContact O-N 2.76Å; R46-D48 WeakPolarHBondContact CD-OD1 3.48Å; R46-D48 VanDerWaalsContact CG-OD1 3.22Å; R46-D48 WeakPolarHBondContact CG-OD1 3.3Å; R46-D48 IonicContact CZ-OD1 3.14Å; R46-D48 IonicContact CZ-OD2 3.9Å; R46-D48 IonicContact NE-OD1 3.33Å; R46-D48 PolarHBondContact NE-OD1 2.77Å; R46-D48 IonicContact NE-OD2 3.6Å; R46-D48 PolarHBondContact NE-OD2 3.32Å; R46-D48 IonicContact NH2-OD1 2.73Å; R46-D48 IonicContact NH2-OD2 3.59Å; R46-D48 PolarHBondContact NH2-OD2 3.04Å; R46-D48 PolarHBondContact O-N 2.91Å; R46-V49 HydrophobicContact CB-CG2 3.92Å; R46-V49 HydrophobicContact CG-CG2 4.08Å; R46-V49 PolarHBondContact O-N 3.28Å; R46-I50 PolarHBondContact O-N 2.6Å; R46-M245 WeakPolarHBondContact CD-O 3.44Å; R46-M245 PolarHBondContact NH1-O 3.46Å; R46-D365 WeakPolarHBondContact CD-O 3.41Å; R46-D365 WeakPolarHBondContact CG-O 3.37Å; R46-D365 IonicContact CZ-OD1 3.36Å; R46-D365 IonicContact CZ-OD2 3.7Å; R46-D365 VanDerWaalsContact NH1-CB 3.3Å; R46-D365 IonicContact NH1-OD1 3.77Å; R46-D365 IonicContact NH1-OD2 3.82Å; R46-D365 PolarHBondContact NH1-OD2 2.74Å; R46-D365 IonicContact NH2-OD1 2.7Å; R46-D365 PolarHBondContact NH2-OD1 2.65Å; R46-D365 IonicContact NH2-OD2 2.61Å; R46-D365 PolarHBondContact NH2-OD2 2.76Å
47	W	98.3	Very high	96.4	Very high	38 Å²	38	23.4 Å²	23.4	14%	0.144	13%	0.125	C	C	.	.	H	α-helix	trans	-62.7	-40.9	-168.7	78	-76.8	0	0	0	116	I50 A51 Q74 R75 P364 H367 P369	W47-I50 PolarHBondContact O-N 2.98Å; W47-A51 HydrophobicContact CE3-CB 4.43Å; W47-A51 HydrophobicContact CZ3-CB 4.43Å; W47-A51 PolarHBondContact O-N 2.97Å; W47-Q74 HydrophobicContact CE3-CG 3.85Å; W47-Q74 HydrophobicContact CZ3-CG 3.91Å; W47-R75 HydrophobicContact CB-CB 3.56Å; W47-R75 HydrophobicContact CD2-CB 3.97Å; W47-R75 HydrophobicContact CD2-CG 4.2Å; W47-R75 HydrophobicContact CE3-CB 4.31Å; W47-R75 HydrophobicContact CE3-CG 4.47Å; W47-R75 HydrophobicContact CG-CB 3.62Å; W47-R75 HydrophobicContact CG-CG 4.26Å; W47-R75 VanDerWaalsContact CZ2-NH1 3.28Å; W47-P364 PolarHBondContact NE1-O 2.98Å; W47-H367 HydrophobicContact CG-CB 4.18Å; W47-H367 PolarHBondContact N-O 2.57Å; W47-H367 VanDerWaalsContact N-O 3.1Å; W47-P369 HydrophobicContact CB-CB 4.37Å
48	D	97.4	Very high	95.9	Very high	47 Å²	47	29.5 Å²	29.5	25%	0.251	16%	0.162	S	C	.	.	H	α-helix	trans	-78.4	-27.2	-174.5	58.8	-6.5	0	0	0	112.1	R46 I50 A51 G52	R46-D48 WeakPolarHBondContact CD-OD1 3.48Å; R46-D48 VanDerWaalsContact CG-OD1 3.22Å; R46-D48 WeakPolarHBondContact CG-OD1 3.3Å; R46-D48 IonicContact CZ-OD1 3.14Å; R46-D48 IonicContact CZ-OD2 3.9Å; R46-D48 IonicContact NE-OD1 3.33Å; R46-D48 PolarHBondContact NE-OD1 2.77Å; R46-D48 IonicContact NE-OD2 3.6Å; R46-D48 PolarHBondContact NE-OD2 3.32Å; R46-D48 IonicContact NH2-OD1 2.73Å; R46-D48 IonicContact NH2-OD2 3.59Å; R46-D48 PolarHBondContact NH2-OD2 3.04Å; R46-D48 PolarHBondContact O-N 2.91Å; D48-I50 PolarHBondContact O-N 3.39Å; D48-A51 PolarHBondContact O-N 3.24Å; D48-G52 PolarHBondContact O-N 3.45Å
49	V	97.6	Very high	95.2	Very high	12 Å²	12	32.6 Å²	32.6	7%	0.073	18%	0.179	C	C	.	.	H	α-helix	trans	-58.7	-43.6	166.8	-170.7	0	0	0	0	109.4	R46 H53 L206 L210 V211 L215	R46-V49 HydrophobicContact CB-CG2 3.92Å; R46-V49 HydrophobicContact CG-CG2 4.08Å; R46-V49 PolarHBondContact O-N 3.28Å; V49-H53 VanDerWaalsContact O-CB 3.31Å; V49-H53 WeakPolarHBondContact O-CB 3.41Å; V49-H53 PolarHBondContact O-N 2.9Å; V49-L206 HydrophobicContact CG2-CD2 4.02Å; V49-L210 HydrophobicContact CG1-CD2 3.56Å; V49-V211 HydrophobicContact CG1-CG2 3.97Å; V49-L215 HydrophobicContact CG1-CD1 3.71Å
50	I	97.3	Very high	94.8	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-71.9	-39.1	176.8	-59.5	-61.2	0	0	0	112.2	L45 R46 W47 D48 H53 L54 F63 L215 P369 F371	L45-I50 HydrophobicContact CD1-CD1 3.44Å; L45-I50 VanDerWaalsContact CD1-CD1 3.44Å; L45-I50 HydrophobicContact CD1-CG1 3.78Å; L45-I50 HydrophobicContact CD2-CG1 4.39Å; L45-I50 HydrophobicContact CG-CD1 4.09Å; L45-I50 HydrophobicContact CG-CG1 3.86Å; R46-I50 PolarHBondContact O-N 2.6Å; W47-I50 PolarHBondContact O-N 2.98Å; D48-I50 PolarHBondContact O-N 3.39Å; I50-H53 PolarHBondContact O-N 3.35Å; I50-L54 HydrophobicContact CG2-CD1 4Å; I50-L54 HydrophobicContact CG2-CG 4.31Å; I50-L54 WeakPolarHBondContact O-CB 3.38Å; I50-L54 VanDerWaalsContact O-CG 3.22Å; I50-L54 WeakPolarHBondContact O-CG 3.3Å; I50-L54 PolarHBondContact O-N 3.16Å; I50-F63 HydrophobicContact CD1-CD1 4.34Å; I50-F63 HydrophobicContact CD1-CE1 3.76Å; I50-F63 HydrophobicContact CD1-CE2 4.14Å; I50-F63 HydrophobicContact CD1-CZ 3.67Å; I50-F63 HydrophobicContact CG2-CD1 4.12Å; I50-F63 HydrophobicContact CG2-CE1 4.37Å; I50-L215 HydrophobicContact CD1-CD1 4.27Å; I50-L215 HydrophobicContact CD1-CD2 4.03Å; I50-P369 HydrophobicContact CB-CG 4.38Å; I50-P369 HydrophobicContact CG1-CG 4.11Å; I50-F371 HydrophobicContact CG2-CE2 3.89Å; I50-F371 HydrophobicContact CG2-CZ 3.63Å
51	A	96.4	Very high	94.5	Very high	17 Å²	17	44.7 Å²	44.7	14%	0.14	23%	0.226	C	C	.	.	H	α-helix	trans	-59.5	-48.8	173.5	0	0	0	0	0	111.4	W47 D48 H53 L54 E55	W47-A51 HydrophobicContact CE3-CB 4.43Å; W47-A51 HydrophobicContact CZ3-CB 4.43Å; W47-A51 PolarHBondContact O-N 2.97Å; D48-A51 PolarHBondContact O-N 3.24Å; A51-H53 VanDerWaalsContact C-N 3.34Å; A51-H53 PolarHBondContact O-N 2.91Å; A51-L54 WeakPolarHBondContact O-CB 3.48Å; A51-L54 PolarHBondContact O-N 3.12Å; A51-E55 WeakPolarHBondContact O-CG 3.43Å; A51-E55 PolarHBondContact O-N 3.28Å
52	G	96.6	Very high	94.4	Very high	22 Å²	22	44.7 Å²	44.7	23%	0.227	23%	0.226	C	C	.	.	H	α-helix	trans	-63.6	-36.9	176.4	0	0	0	0	0	112.9	D48 E55 N56	D48-G52 PolarHBondContact O-N 3.45Å; G52-E55 PolarHBondContact O-N 2.89Å; G52-N56 WeakPolarHBondContact O-CB 3.42Å; G52-N56 PolarHBondContact O-N 3.41Å; G52-N56 PolarHBondContact O-ND2 3.37Å
53	H	95.7	Very high	94.3	Very high	14 Å²	14	44.4 Å²	44.4	7%	0.065	22%	0.224	C	C	.	.	H	α-helix	trans	-64.5	-43.8	173.2	-171	65.1	0	0	0	111.8	V49 I50 A51 E55 N56 N57 F63 L215 D219	V49-H53 VanDerWaalsContact O-CB 3.31Å; V49-H53 WeakPolarHBondContact O-CB 3.41Å; V49-H53 PolarHBondContact O-N 2.9Å; I50-H53 PolarHBondContact O-N 3.35Å; A51-H53 VanDerWaalsContact C-N 3.34Å; A51-H53 PolarHBondContact O-N 2.91Å; H53-E55 VanDerWaalsContact C-N 3.31Å; H53-E55 PolarHBondContact O-N 3.12Å; H53-N56 PolarHBondContact O-N 2.83Å; H53-N57 PolarHBondContact CE1-ND2 3.14Å; H53-N57 PolarHBondContact NE2-ND2 3.34Å; H53-N57 WeakPolarHBondContact O-CB 3.46Å; H53-N57 PolarHBondContact O-N 3.1Å; H53-F63 AromaticContact CD2-CD2 3.8Å; H53-L215 HydrophobicContact CB-CD1 3.91Å; H53-D219 IonicContact CD2-OD2 3.22Å; H53-D219 IonicContact CE1-OD2 3.96Å; H53-D219 PolarHBondContact CE1-OD2 3.35Å; H53-D219 IonicContact NE2-OD1 3.77Å; H53-D219 IonicContact NE2-OD2 3.05Å; H53-D219 PolarHBondContact NE2-OD2 3.4Å
54	L	94.6	Very high	94.2	Very high	11 Å²	11	47 Å²	47	6%	0.058	24%	0.235	C	C	.	.	H	α-helix	trans	-63.7	-33.1	174.3	-72.2	168	0	0	0	112.4	I50 A51 F63 K64 Q67 F371	I50-L54 HydrophobicContact CG2-CD1 4Å; I50-L54 HydrophobicContact CG2-CG 4.31Å; I50-L54 WeakPolarHBondContact O-CB 3.38Å; I50-L54 VanDerWaalsContact O-CG 3.22Å; I50-L54 WeakPolarHBondContact O-CG 3.3Å; I50-L54 PolarHBondContact O-N 3.16Å; A51-L54 WeakPolarHBondContact O-CB 3.48Å; A51-L54 PolarHBondContact O-N 3.12Å; L54-F63 HydrophobicContact CD2-CB 3.85Å; L54-K64 HydrophobicContact CD2-CG 3.83Å; L54-K64 WeakPolarHBondContact O-CE 3.46Å; L54-K64 PolarHBondContact O-NZ 2.9Å; L54-Q67 HydrophobicContact CD2-CB 4.17Å; L54-F371 HydrophobicContact CD1-CE1 4.35Å; L54-F371 HydrophobicContact CD1-CZ 4.14Å
55	E	93.9	Very high	94.2	Very high	155 Å²	155	48.2 Å²	48.2	72%	0.724	24%	0.238	S	C	*	.	H	α-helix	trans	-72.4	-47.9	176	-73.4	173.1	-170.9	0	0	111.4	A51 G52 H53	A51-E55 WeakPolarHBondContact O-CG 3.43Å; A51-E55 PolarHBondContact O-N 3.28Å; G52-E55 PolarHBondContact O-N 2.89Å; H53-E55 VanDerWaalsContact C-N 3.31Å; H53-E55 PolarHBondContact O-N 3.12Å
56	N	91.3	Very high	94.1	Very high	124 Å²	124	48.2 Å²	48.2	66%	0.663	24%	0.238	S	C	*	.	H	α-helix	trans	-83.7	-29.3	-170.4	-68.3	-43.1	0	0	0	114.7	G52 H53 T58	G52-N56 WeakPolarHBondContact O-CB 3.42Å; G52-N56 PolarHBondContact O-N 3.41Å; G52-N56 PolarHBondContact O-ND2 3.37Å; H53-N56 PolarHBondContact O-N 2.83Å; N56-T58 PolarHBondContact O-N 3.44Å
57	N	84.2	Confident	93.9	Very high	18 Å²	18	49.5 Å²	49.5	10%	0.096	25%	0.245	C	C	.	.			trans	-77.5	113.5	-173.5	-175.4	-3.8	0	0	0	111.2	H53 N59 K64 D219	H53-N57 PolarHBondContact CE1-ND2 3.14Å; H53-N57 PolarHBondContact NE2-ND2 3.34Å; H53-N57 WeakPolarHBondContact O-CB 3.46Å; H53-N57 PolarHBondContact O-N 3.1Å; N57-N59 PolarHBondContact O-N 2.89Å; N57-N59 WeakPolarHBondContact OD1-CB 3.29Å; N57-N59 VanDerWaalsContact OD1-CG 3.31Å; N57-N59 PolarHBondContact OD1-N 3.44Å; N57-N59 PolarHBondContact OD1-ND2 3.44Å; N57-K64 WeakPolarHBondContact O-CD 3.37Å; N57-K64 WeakPolarHBondContact O-CE 3.48Å; N57-K64 PolarHBondContact O-NZ 3.22Å; N57-D219 PolarHBondContact ND2-OD2 2.94Å
58	T	85.9	Confident	93.8	Very high	127 Å²	127	54.3 Å²	54.3	78%	0.779	27%	0.267	S	S	*	.			trans	-75.6	-9.2	-179.5	53	0	0	0	0	114.4	N56	N56-T58 PolarHBondContact O-N 3.44Å
59	N	86	Confident	93.7	Very high	66 Å²	66	54.8 Å²	54.8	35%	0.353	27%	0.269	S	S	.	.			trans	-70.2	149	-176.3	-65.9	-44.9	0	0	0	112.6	N57 F61 K64	N57-N59 PolarHBondContact O-N 2.89Å; N57-N59 WeakPolarHBondContact OD1-CB 3.29Å; N57-N59 VanDerWaalsContact OD1-CG 3.31Å; N57-N59 PolarHBondContact OD1-N 3.44Å; N57-N59 PolarHBondContact OD1-ND2 3.44Å; N59-F61 HydrophobicContact CB-CD1 3.57Å; N59-F61 HydrophobicContact CB-CE1 3.34Å; N59-F61 HydrophobicContact CB-CG 4.37Å; N59-F61 HydrophobicContact CB-CZ 4Å; N59-K64 WeakPolarHBondContact O-CB 3.26Å; N59-K64 WeakPolarHBondContact O-CD 3.46Å
60	R	89.1	Confident	93.6	Very high	213 Å²	213	54.2 Å²	54.2	80%	0.804	27%	0.266	S	S	*	.	S	Bend	trans	-100.1	12.6	178.6	-64.5	-174.7	177.5	-173.6	0.4	114
61	F	93.7	Very high	93.6	Very high	44 Å²	44	54.2 Å²	54.2	19%	0.193	27%	0.266	C	S	.	.	S	Bend	trans	-104.4	176.3	178.5	65.7	-96.3	0	0	0	111.6	N59 F63 K64 D219 H220 D223	N59-F61 HydrophobicContact CB-CD1 3.57Å; N59-F61 HydrophobicContact CB-CE1 3.34Å; N59-F61 HydrophobicContact CB-CG 4.37Å; N59-F61 HydrophobicContact CB-CZ 4Å; F61-F63 PolarHBondContact O-N 3.35Å; F61-K64 PolarHBondContact O-N 2.88Å; F61-D219 HydrophobicContact CD2-CB 3.74Å; F61-D219 HydrophobicContact CE2-CB 3.43Å; F61-D219 VanDerWaalsContact CE2-CB 3.43Å; F61-D219 HydrophobicContact CZ-CB 4.48Å; F61-H220 AromaticContact CE2-CE1 3.66Å; F61-H220 AromaticContact CE2-ND1 3.67Å; F61-H220 AromaticContact CZ-CE1 3.57Å; F61-H220 AromaticContact CZ-NE2 4Å; F61-D223 HydrophobicContact CB-CB 4Å; F61-D223 WeakPolarHBondContact CB-OD1 3.41Å; F61-D223 HydrophobicContact CD2-CB 4.23Å
62	G	95.5	Very high	93.7	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	60.4	-127.5	173.1	0	0	0	0	0	114.3	K64 R65 L66 D219	G62-K64 VanDerWaalsContact C-N 3.31Å; G62-K64 PolarHBondContact O-N 3.32Å; G62-R65 WeakPolarHBondContact O-CB 3.47Å; G62-R65 PolarHBondContact O-N 2.99Å; G62-R65 VanDerWaalsContact O-N 3.09Å; G62-L66 PolarHBondContact O-N 2.92Å; G62-D219 VanDerWaalsContact CA-O 3.29Å; G62-D219 WeakPolarHBondContact CA-O 3.09Å; G62-D219 WeakPolarHBondContact CA-OD1 3.21Å
63	F	96.6	Very high	93.7	Very high	1 Å²	1	52.8 Å²	52.8	0%	0.004	25%	0.25	C	C	.	.	H	α-helix	trans	-57.8	-39.6	-178.1	-73.5	-76.4	0	0	0	112.7	L45 I50 H53 L54 F61 R65 L66 Q67 L215 L218 D219 L222 L239 F371	L45-F63 HydrophobicContact CD1-CZ 4.29Å; L45-F63 HydrophobicContact CD2-CE1 4.46Å; I50-F63 HydrophobicContact CD1-CD1 4.34Å; I50-F63 HydrophobicContact CD1-CE1 3.76Å; I50-F63 HydrophobicContact CD1-CE2 4.14Å; I50-F63 HydrophobicContact CD1-CZ 3.67Å; I50-F63 HydrophobicContact CG2-CD1 4.12Å; I50-F63 HydrophobicContact CG2-CE1 4.37Å; H53-F63 AromaticContact CD2-CD2 3.8Å; L54-F63 HydrophobicContact CD2-CB 3.85Å; F61-F63 PolarHBondContact O-N 3.35Å; F63-R65 VanDerWaalsContact C-N 3.33Å; F63-R65 PolarHBondContact O-N 3.37Å; F63-L66 WeakPolarHBondContact O-CB 3.27Å; F63-L66 PolarHBondContact O-N 3.26Å; F63-Q67 WeakPolarHBondContact O-CB 3.44Å; F63-Q67 PolarHBondContact O-N 3.48Å; F63-L215 HydrophobicContact CE2-CD2 4.46Å; F63-L218 HydrophobicContact CE2-CB 4.13Å; F63-D219 WeakPolarHBondContact CD2-OD1 3.42Å; F63-D219 PolarHBondContact N-OD1 2.85Å; F63-L222 HydrophobicContact CD1-CD1 3.72Å; F63-L222 HydrophobicContact CD2-CD1 3.77Å; F63-L222 HydrophobicContact CE1-CD1 3.56Å; F63-L222 HydrophobicContact CE2-CD1 3.57Å; F63-L222 HydrophobicContact CG-CD1 3.82Å; F63-L222 HydrophobicContact CZ-CD1 3.47Å; F63-L222 VanDerWaalsContact CZ-CD1 3.47Å; F63-L239 HydrophobicContact CD1-CD2 4.02Å; F63-L239 HydrophobicContact CE1-CD2 3.48Å; F63-L239 VanDerWaalsContact CE1-CD2 3.48Å; F63-L239 HydrophobicContact CZ-CD2 4.31Å; F63-F371 HydrophobicContact CD1-CE2 4.07Å; F63-F371 HydrophobicContact CD1-CZ 4.11Å; F63-F371 HydrophobicContact CE1-CE2 4.37Å
64	K	95.5	Very high	93.8	Very high	55 Å²	55	54.9 Å²	54.9	24%	0.239	26%	0.26	C	S	.	.	H	α-helix	trans	-66	-36.5	177.1	-81.4	-161.9	163	-177.2	0	112.5	L54 N57 N59 F61 G62 K68	L54-K64 HydrophobicContact CD2-CG 3.83Å; L54-K64 WeakPolarHBondContact O-CE 3.46Å; L54-K64 PolarHBondContact O-NZ 2.9Å; N57-K64 WeakPolarHBondContact O-CD 3.37Å; N57-K64 WeakPolarHBondContact O-CE 3.48Å; N57-K64 PolarHBondContact O-NZ 3.22Å; N59-K64 WeakPolarHBondContact O-CB 3.26Å; N59-K64 WeakPolarHBondContact O-CD 3.46Å; F61-K64 PolarHBondContact O-N 2.88Å; G62-K64 VanDerWaalsContact C-N 3.31Å; G62-K64 PolarHBondContact O-N 3.32Å; K64-K68 VanDerWaalsContact O-CB 3.26Å; K64-K68 WeakPolarHBondContact O-CB 3.4Å; K64-K68 PolarHBondContact O-N 3.47Å
65	R	95.8	Very high	94	Very high	32 Å²	32	56 Å²	56	12%	0.121	26%	0.263	C	S	.	.	H	α-helix	trans	-66.5	-44.2	174.8	-172.7	177.4	168.1	-178.7	2.5	110.8	G62 F63 K68 N69 D223 L226 N227 E230	G62-R65 WeakPolarHBondContact O-CB 3.47Å; G62-R65 PolarHBondContact O-N 2.99Å; G62-R65 VanDerWaalsContact O-N 3.09Å; F63-R65 VanDerWaalsContact C-N 3.33Å; F63-R65 PolarHBondContact O-N 3.37Å; R65-K68 PolarHBondContact O-N 2.82Å; R65-N69 WeakPolarHBondContact O-CB 3.18Å; R65-N69 PolarHBondContact O-N 2.87Å; R65-D223 WeakPolarHBondContact CD-OD1 3.41Å; R65-D223 IonicContact CZ-OD1 3.7Å; R65-D223 IonicContact NH1-OD1 3.79Å; R65-D223 PolarHBondContact NH1-OD1 3.27Å; R65-D223 IonicContact NH1-OD2 3.26Å; R65-L226 HydrophobicContact CB-CD1 3.92Å; R65-L226 HydrophobicContact CG-CD1 3.68Å; R65-N227 PolarHBondContact NH1-OD1 3.32Å; R65-N227 PolarHBondContact NH2-OD1 2.95Å; R65-N227 VanDerWaalsContact NH2-OD1 3.14Å; R65-E230 IonicContact CZ-OE1 3.49Å; R65-E230 IonicContact NE-OE1 3.38Å; R65-E230 IonicContact NH2-OE1 3.62Å; R65-E230 PolarHBondContact NH2-OE1 2.77Å; R65-E230 IonicContact NH2-OE2 3.72Å; R65-E230 PolarHBondContact NH2-OE2 3.34Å
66	L	95.8	Very high	94.2	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-57.3	-49.5	173.4	-76.9	172.8	0	0	0	111.8	G62 F63 K68 G70 L222 L226 L237 L239 F371 Y373	G62-L66 PolarHBondContact O-N 2.92Å; F63-L66 WeakPolarHBondContact O-CB 3.27Å; F63-L66 PolarHBondContact O-N 3.26Å; L66-K68 PolarHBondContact O-N 3.13Å; L66-G70 WeakPolarHBondContact O-CA 3.26Å; L66-G70 PolarHBondContact O-N 3.24Å; L66-L222 HydrophobicContact CD1-CD1 3.96Å; L66-L222 HydrophobicContact CD1-CD2 4.18Å; L66-L222 HydrophobicContact CD1-CG 4.45Å; L66-L226 HydrophobicContact CD2-CD1 4.05Å; L66-L226 HydrophobicContact CD2-CD2 3.7Å; L66-L226 HydrophobicContact CD2-CG 4.19Å; L66-L226 HydrophobicContact CG-CD1 4.03Å; L66-L237 HydrophobicContact CD2-CD2 3.97Å; L66-L239 HydrophobicContact CD1-CD2 3.63Å; L66-F371 HydrophobicContact CB-CB 4.36Å; L66-F371 HydrophobicContact CB-CD1 3.83Å; L66-F371 HydrophobicContact CB-CE1 4.5Å; L66-F371 HydrophobicContact CB-CG 4.3Å; L66-F371 HydrophobicContact CD1-CB 4.34Å; L66-F371 HydrophobicContact CD1-CG 4.4Å; L66-Y373 HydrophobicContact CD2-CD2 4.5Å; L66-Y373 HydrophobicContact CD2-CG 4.43Å
67	Q	95.3	Very high	94.5	Very high	41 Å²	41	42.7 Å²	42.7	19%	0.192	20%	0.197	C	C	.	.	H	α-helix	trans	-63.3	-42.8	-178.6	-168.6	-167	42	0	0	112.1	L54 F63 Y72 F371 Q382	L54-Q67 HydrophobicContact CD2-CB 4.17Å; F63-Q67 WeakPolarHBondContact O-CB 3.44Å; F63-Q67 PolarHBondContact O-N 3.48Å; Q67-Y72 HydrophobicContact CG-CD1 4Å; Q67-Y72 HydrophobicContact CG-CG 4.25Å; Q67-F371 HydrophobicContact CB-CE1 4.12Å; Q67-Q382 VanDerWaalsContact NE2-NE2 3.19Å
68	K	94.9	Very high	95.1	Very high	139 Å²	139	41.9 Å²	41.9	60%	0.604	19%	0.193	S	C	*	.	H	α-helix	trans	-75.4	-43.8	-174.9	-175.9	-177.5	175.7	-177.6	0	112.8	K64 R65 L66	K64-K68 VanDerWaalsContact O-CB 3.26Å; K64-K68 WeakPolarHBondContact O-CB 3.4Å; K64-K68 PolarHBondContact O-N 3.47Å; R65-K68 PolarHBondContact O-N 2.82Å; L66-K68 PolarHBondContact O-N 3.13Å
69	N	95.4	Very high	95.7	Very high	58 Å²	58	35.9 Å²	35.9	31%	0.31	16%	0.156	S	C	.	.	H	α-helix	trans	-104.3	-9.3	-171.1	-62	-16.1	0	0	0	112.7	R65 Y373 R379	R65-N69 WeakPolarHBondContact O-CB 3.18Å; R65-N69 PolarHBondContact O-N 2.87Å; N69-Y373 HydrophobicContact CB-CE2 3.7Å; N69-R379 WeakPolarHBondContact O-CB 3.42Å; N69-R379 WeakPolarHBondContact O-CD 3Å; N69-R379 VanDerWaalsContact O-CG 3.24Å; N69-R379 WeakPolarHBondContact O-CG 3.36Å
70	G	96.7	Very high	96.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	14%	0.139	C	C	.	.	S	Bend	trans	-104.5	-160	173.4	0	0	0	0	0	112.4	L66 I372 R379 G380	L66-G70 WeakPolarHBondContact O-CA 3.26Å; L66-G70 PolarHBondContact O-N 3.24Å; G70-I372 CarbonylContact C-O 3.51Å; G70-I372 WeakPolarHBondContact CA-O 3.46Å; G70-R379 CarbonylContact O-C 3.47Å; G70-G380 PolarHBondContact O-N 3.17Å
71	A	97.1	Very high	96.3	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	141.3	172.6	0	0	0	0	0	107.9	F371 I372 I377 V381 L418	A71-F371 WeakPolarHBondContact O-CA 3.4Å; A71-I372 HydrophobicContact CB-CB 4.41Å; A71-I372 PolarHBondContact N-O 3.24Å; A71-I372 PolarHBondContact O-N 2.96Å; A71-I377 HydrophobicContact CB-CB 4.14Å; A71-I377 HydrophobicContact CB-CD1 4.05Å; A71-V381 WeakPolarHBondContact CA-O 3.48Å; A71-L418 HydrophobicContact CB-CB 4.08Å; A71-L418 HydrophobicContact CB-CD2 4.14Å
72	Y	97.3	Very high	96.5	Very high	9 Å²	9	20.5 Å²	20.5	4%	0.035	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	130.1	-172.7	173.9	-125.2	0	0	0	110.9	Q67 Q74 P369 L370 F371 V381 Q382 L383	Q67-Y72 HydrophobicContact CG-CD1 4Å; Q67-Y72 HydrophobicContact CG-CG 4.25Å; Y72-Q74 HydrophobicContact CE1-CB 4.36Å; Y72-Q74 VanDerWaalsContact CZ-CA 3.5Å; Y72-Q74 PolarHBondContact OH-O 3.4Å; Y72-P369 HydrophobicContact CE2-CB 4.12Å; Y72-L370 WeakPolarHBondContact CA-O 3.1Å; Y72-L370 WeakPolarHBondContact CD2-O 3.2Å; Y72-F371 AromaticContact CD2-CD1 3.48Å; Y72-F371 HydrophobicContact CD2-CD1 3.48Å; Y72-F371 VanDerWaalsContact CD2-CD1 3.48Å; Y72-F371 HydrophobicContact CD2-CD2 4.24Å; Y72-F371 AromaticContact CD2-CE1 3.24Å; Y72-F371 HydrophobicContact CD2-CE1 3.24Å; Y72-F371 HydrophobicContact CD2-CE2 4.04Å; Y72-F371 AromaticContact CD2-CG 3.97Å; Y72-F371 HydrophobicContact CD2-CG 3.97Å; Y72-F371 AromaticContact CD2-CZ 3.55Å; Y72-F371 HydrophobicContact CD2-CZ 3.55Å; Y72-F371 HydrophobicContact CE2-CD1 4.14Å; Y72-F371 HydrophobicContact CE2-CD2 4.37Å; Y72-F371 AromaticContact CE2-CE1 3.51Å; Y72-F371 HydrophobicContact CE2-CE1 3.51Å; Y72-F371 AromaticContact CE2-CE2 3.77Å; Y72-F371 HydrophobicContact CE2-CE2 3.77Å; Y72-F371 AromaticContact CE2-CZ 3.29Å; Y72-F371 HydrophobicContact CE2-CZ 3.29Å; Y72-F371 HydrophobicContact CG-CD1 4.14Å; Y72-F371 AromaticContact CG-CE1 3.92Å; Y72-F371 HydrophobicContact CG-CE1 3.92Å; Y72-V381 PolarHBondContact N-O 3.09Å; Y72-Q382 HydrophobicContact CD1-CG 4.18Å; Y72-Q382 CarbonylContact O-C 3.38Å; Y72-Q382 VanDerWaalsContact O-CA 3.25Å; Y72-Q382 WeakPolarHBondContact O-CA 3.45Å; Y72-L383 PolarHBondContact O-N 3.32Å
73	L	97.8	Very high	96.4	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	120.4	164.9	165.8	66.8	0	0	0	107.3	R75 F76 L370 L383 I389 F415 L418	L73-R75 VanDerWaalsContact C-N 3.25Å; L73-R75 PolarHBondContact O-N 3.41Å; L73-F76 HydrophobicContact CD2-CB 4.14Å; L73-F76 HydrophobicContact CD2-CD1 4.34Å; L73-L370 HydrophobicContact CB-CB 4.14Å; L73-L370 HydrophobicContact CB-CD2 4.31Å; L73-L370 HydrophobicContact CD2-CD2 4.2Å; L73-L370 PolarHBondContact N-O 2.83Å; L73-L370 PolarHBondContact O-N 2.73Å; L73-L370 VanDerWaalsContact O-N 3.09Å; L73-L383 WeakPolarHBondContact CA-O 3.45Å; L73-L383 HydrophobicContact CD1-CB 3.8Å; L73-I389 HydrophobicContact CD1-CD1 4.2Å; L73-I389 HydrophobicContact CD2-CD1 3.77Å; L73-I389 HydrophobicContact CD2-CG2 4.03Å; L73-F415 HydrophobicContact CD2-CE1 4.19Å; L73-L418 HydrophobicContact CB-CD1 4.41Å
74	Q	97.2	Very high	96.2	Very high	58 Å²	58	21.3 Å²	21.3	27%	0.271	10%	0.097	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-50.2	-49.5	-172.2	-176.2	-176.6	44.9	0	0	111.8	W47 Y72 L383	W47-Q74 HydrophobicContact CE3-CG 3.85Å; W47-Q74 HydrophobicContact CZ3-CG 3.91Å; Y72-Q74 HydrophobicContact CE1-CB 4.36Å; Y72-Q74 VanDerWaalsContact CZ-CA 3.5Å; Y72-Q74 PolarHBondContact OH-O 3.4Å; Q74-L383 PolarHBondContact N-O 2.71Å
75	R	98	Very high	96	Very high	35 Å²	35	20.7 Å²	20.7	13%	0.132	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.8	159	173.4	71.9	-158.6	178.5	140.8	-5.4	112.6	W47 L73 H367 I368 F385	W47-R75 HydrophobicContact CB-CB 3.56Å; W47-R75 HydrophobicContact CD2-CB 3.97Å; W47-R75 HydrophobicContact CD2-CG 4.2Å; W47-R75 HydrophobicContact CE3-CB 4.31Å; W47-R75 HydrophobicContact CE3-CG 4.47Å; W47-R75 HydrophobicContact CG-CB 3.62Å; W47-R75 HydrophobicContact CG-CG 4.26Å; W47-R75 VanDerWaalsContact CZ2-NH1 3.28Å; L73-R75 VanDerWaalsContact C-N 3.25Å; L73-R75 PolarHBondContact O-N 3.41Å; R75-H367 HydrophobicContact CB-CB 3.99Å; R75-H367 HydrophobicContact CG-CB 4.13Å; R75-H367 PolarHBondContact NH1-ND1 3.03Å; R75-I368 CarbonylContact C-O 3.56Å; R75-I368 WeakPolarHBondContact CA-O 3.32Å; R75-F385 HydrophobicContact CG-CB 3.77Å; R75-F385 HydrophobicContact CG-CD2 3.39Å; R75-F385 HydrophobicContact CG-CE2 4.23Å; R75-F385 HydrophobicContact CG-CG 3.77Å; R75-F385 VanDerWaalsContact NE-CG 3.28Å
76	F	98.2	Very high	95.8	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	167.5	165.2	66.1	-90.1	0	0	0	110.4	L73 T240 H367 I368 L370 I389 I394	L73-F76 HydrophobicContact CD2-CB 4.14Å; L73-F76 HydrophobicContact CD2-CD1 4.34Å; F76-T240 WeakPolarHBondContact CE1-OG1 3.35Å; F76-T240 VanDerWaalsContact CZ-OG1 3.27Å; F76-T240 WeakPolarHBondContact CZ-OG1 3.33Å; F76-H367 WeakPolarHBondContact O-CA 3.39Å; F76-H367 WeakPolarHBondContact O-CB 3.25Å; F76-I368 HydrophobicContact CD1-CB 4.28Å; F76-I368 HydrophobicContact CD1-CG2 4.4Å; F76-I368 WeakPolarHBondContact CD1-O 3.34Å; F76-I368 HydrophobicContact CD2-CB 4.46Å; F76-I368 HydrophobicContact CD2-CD1 4.35Å; F76-I368 HydrophobicContact CE1-CB 3.78Å; F76-I368 HydrophobicContact CE1-CG2 3.5Å; F76-I368 VanDerWaalsContact CE1-CG2 3.5Å; F76-I368 HydrophobicContact CE2-CB 3.99Å; F76-I368 HydrophobicContact CE2-CD1 3.59Å; F76-I368 HydrophobicContact CE2-CG1 4.44Å; F76-I368 HydrophobicContact CE2-CG2 4.23Å; F76-I368 HydrophobicContact CZ-CB 3.62Å; F76-I368 HydrophobicContact CZ-CD1 3.85Å; F76-I368 HydrophobicContact CZ-CG1 4.39Å; F76-I368 HydrophobicContact CZ-CG2 3.39Å; F76-I368 PolarHBondContact N-O 3.35Å; F76-I368 PolarHBondContact O-N 3.31Å; F76-L370 HydrophobicContact CD1-CB 4.11Å; F76-L370 HydrophobicContact CE1-CB 3.98Å; F76-I389 HydrophobicContact CB-CB 4.1Å; F76-I389 HydrophobicContact CB-CG2 3.67Å; F76-I389 WeakPolarHBondContact CB-O 3.24Å; F76-I389 HydrophobicContact CG-CG2 4.41Å; F76-I394 HydrophobicContact CD1-CD1 4.15Å; F76-I394 HydrophobicContact CD2-CD1 4.48Å; F76-I394 HydrophobicContact CD2-CG1 4.4Å; F76-I394 HydrophobicContact CE1-CD1 4.08Å; F76-I394 HydrophobicContact CE1-CG1 4.39Å; F76-I394 HydrophobicContact CE2-CD1 4.42Å; F76-I394 HydrophobicContact CE2-CG1 4.03Å; F76-I394 HydrophobicContact CG-CD1 4.35Å; F76-I394 HydrophobicContact CZ-CD1 4.22Å; F76-I394 HydrophobicContact CZ-CG1 4.02Å
77	T	98.2	Very high	95.8	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.087	C	C	.	.	B	Isolated β-bridge	trans	-98.1	132.2	-172.7	-61.2	0	0	0	0	111.3	P361 H367 I389 R390 S391	T77-P361 HydrophobicContact CG2-CB 3.74Å; T77-P361 WeakPolarHBondContact CG2-O 3.21Å; T77-H367 PolarHBondContact OG1-CE1 2.84Å; T77-H367 PolarHBondContact OG1-NE2 3.01Å; T77-I389 PolarHBondContact N-O 3.35Å; T77-I389 VanDerWaalsContact N-O 3.13Å; T77-R390 VanDerWaalsContact CG2-NH1 3.27Å; T77-R390 CarbonylContact O-C 3.52Å; T77-R390 WeakPolarHBondContact O-CA 3.47Å; T77-R390 WeakPolarHBondContact O-CB 3.46Å; T77-S391 PolarHBondContact O-N 3.35Å
78	P	98	Very high	95.8	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.078	C	C	.	.	P	Polyproline II helix	trans	-64	170.6	172.7	24.3	-30.9	0	0	0	112.5	A82 N87 P361 M366 I368 S391	P78-A82 HydrophobicContact CB-CB 4.26Å; P78-A82 HydrophobicContact CG-CB 3.79Å; P78-N87 VanDerWaalsContact CA-OD1 3.31Å; P78-N87 WeakPolarHBondContact CA-OD1 3.47Å; P78-N87 WeakPolarHBondContact CB-OD1 2.99Å; P78-P361 HydrophobicContact CG-CB 4.07Å; P78-P361 WeakPolarHBondContact O-CB 3.3Å; P78-M366 VanDerWaalsContact CD-O 3.26Å; P78-M366 WeakPolarHBondContact CD-O 3.4Å; P78-M366 HydrophobicContact CG-CB 3.89Å; P78-M366 VanDerWaalsContact CG-O 3.28Å; P78-M366 WeakPolarHBondContact CG-O 3.16Å; P78-I368 HydrophobicContact CB-CD1 4.07Å; P78-I368 HydrophobicContact CG-CD1 4.47Å; P78-S391 WeakPolarHBondContact CA-OG 3.38Å
79	V	96.6	Very high	95.8	Very high	1 Å²	1	10.7 Å²	10.7	1%	0.006	5%	0.05	C	C	.	.	P	Polyproline II helix	trans	-81.2	160.4	164.3	-64.6	0	0	0	0	110.5	P81 A82 N87 S90 P97 V392	V79-P81 CarbonylContact O-C 3.55Å; V79-A82 PolarHBondContact O-N 2.97Å; V79-N87 HydrophobicContact CG2-CB 4.49Å; V79-N87 VanDerWaalsContact CG2-OD1 3.28Å; V79-N87 WeakPolarHBondContact CG2-OD1 3.42Å; V79-N87 PolarHBondContact N-OD1 2.89Å; V79-N87 PolarHBondContact O-ND2 3.21Å; V79-S90 VanDerWaalsContact CG2-OG 3.27Å; V79-S90 WeakPolarHBondContact CG2-OG 3.44Å; V79-P97 HydrophobicContact CB-CG 4.25Å; V79-P97 HydrophobicContact CG2-CG 3.73Å; V79-V392 HydrophobicContact CG1-CG1 3.71Å
80	F	95.1	Very high	95.9	Very high	1 Å²	1	8 Å²	8	0%	0.004	4%	0.035	C	C	.	.	S	Bend	trans	-82.6	137.5	172.8	-178.4	-85.4	0	0	0	111.2	P97 W274 W310 I312 L323 L327 I329 P361	F80-P97 WeakPolarHBondContact O-CG 3.4Å; F80-W274 HydrophobicContact CE1-CH2 4.21Å; F80-W274 HydrophobicContact CE1-CZ2 4.05Å; F80-W274 HydrophobicContact CZ-CZ2 4.35Å; F80-W310 HydrophobicContact CB-CB 3.98Å; F80-W310 HydrophobicContact CB-CD2 4.05Å; F80-W310 HydrophobicContact CB-CE3 4.47Å; F80-W310 HydrophobicContact CB-CG 3.82Å; F80-W310 HydrophobicContact CD1-CE3 4.25Å; F80-W310 AromaticContact CD2-CD2 3.96Å; F80-W310 HydrophobicContact CD2-CD2 3.96Å; F80-W310 AromaticContact CD2-CE3 3.99Å; F80-W310 HydrophobicContact CD2-CE3 3.99Å; F80-W310 HydrophobicContact CD2-CH2 4.32Å; F80-W310 HydrophobicContact CD2-CZ2 4.23Å; F80-W310 HydrophobicContact CD2-CZ3 4.16Å; F80-W310 HydrophobicContact CE2-CE3 4.43Å; F80-W310 HydrophobicContact CE2-CH2 4.29Å; F80-W310 HydrophobicContact CE2-CZ3 4.18Å; F80-W310 AromaticContact CG-CD2 3.94Å; F80-W310 HydrophobicContact CG-CD2 3.94Å; F80-W310 AromaticContact CG-CE3 3.94Å; F80-W310 HydrophobicContact CG-CE3 3.94Å; F80-W310 HydrophobicContact CG-CG 4.25Å; F80-W310 HydrophobicContact CG-CZ3 4.49Å; F80-W310 HydrophobicContact CZ-CZ3 4.44Å; F80-I312 HydrophobicContact CB-CD1 4.41Å; F80-I312 HydrophobicContact CD1-CD1 3.41Å; F80-I312 VanDerWaalsContact CD1-CD1 3.41Å; F80-I312 HydrophobicContact CE1-CD1 4.02Å; F80-I312 HydrophobicContact CG-CD1 4.11Å; F80-L323 HydrophobicContact CE1-CD2 4.3Å; F80-L327 HydrophobicContact CE1-CD2 4.02Å; F80-L327 HydrophobicContact CZ-CD2 3.67Å; F80-I329 HydrophobicContact CD2-CD1 4.49Å; F80-I329 HydrophobicContact CE2-CD1 3.57Å; F80-I329 HydrophobicContact CE2-CG1 4.44Å; F80-I329 HydrophobicContact CZ-CD1 4.1Å; F80-P361 HydrophobicContact CB-CG 3.77Å; F80-P361 HydrophobicContact CD2-CG 4.28Å
81	P	94.1	Very high	95.9	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.035	C	C	.	.	S	Bend	cis	-73.5	154.3	-12	30.8	-33.6	0	0	0	110.8	V79 E83 P86 N87 I103 W274	V79-P81 CarbonylContact O-C 3.55Å; P81-E83 HydrophobicContact CB-CB 4.43Å; P81-E83 HydrophobicContact CB-CG 3.82Å; P81-E83 HydrophobicContact CG-CB 4.16Å; P81-E83 HydrophobicContact CG-CG 3.88Å; P81-E83 PolarHBondContact O-N 3.49Å; P81-P86 HydrophobicContact CG-CG 4.19Å; P81-N87 PolarHBondContact O-ND2 3.13Å; P81-I103 WeakPolarHBondContact CD-O 3.4Å; P81-I103 WeakPolarHBondContact CG-O 3.39Å; P81-W274 HydrophobicContact CG-CZ2 4.28Å
82	A	96.5	Very high	95.9	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.036	C	C	.	.			trans	-72.3	57.3	175.7	0	0	0	0	0	111.9	P78 V79 H243 H357 G358 M366	P78-A82 HydrophobicContact CB-CB 4.26Å; P78-A82 HydrophobicContact CG-CB 3.79Å; V79-A82 PolarHBondContact O-N 2.97Å; A82-H243 HydrophobicContact CB-CB 4.39Å; A82-H357 PolarHBondContact O-ND1 3.32Å; A82-G358 VanDerWaalsContact O-CA 3.25Å; A82-G358 WeakPolarHBondContact O-CA 3.4Å; A82-G358 PolarHBondContact O-N 3.14Å; A82-M366 HydrophobicContact CB-CB 3.98Å; A82-M366 HydrophobicContact CB-CG 3.87Å; A82-M366 HydrophobicContact CB-SD 3.68Å
83	E	93.6	Very high	95.8	Very high	4 Å²	4	7.9 Å²	7.9	2%	0.019	4%	0.036	C	C	.	.			trans	-117	154.4	-175.8	-69.9	-92.3	-155.2	0	0	109.3	P81 P86 N87 H243 R269 H357	P81-E83 HydrophobicContact CB-CB 4.43Å; P81-E83 HydrophobicContact CB-CG 3.82Å; P81-E83 HydrophobicContact CG-CB 4.16Å; P81-E83 HydrophobicContact CG-CG 3.88Å; P81-E83 PolarHBondContact O-N 3.49Å; E83-P86 HydrophobicContact CB-CG 4.22Å; E83-P86 WeakPolarHBondContact O-CD 3.46Å; E83-N87 PolarHBondContact N-ND2 2.79Å; E83-N87 WeakPolarHBondContact O-CB 2.66Å; E83-N87 PolarHBondContact O-N 2.77Å; E83-N87 PolarHBondContact O-ND2 2.68Å; E83-H243 VanDerWaalsContact C-CD2 3.48Å; E83-R269 IonicContact OE1-CZ 2.83Å; E83-R269 IonicContact OE1-NE 2.72Å; E83-R269 PolarHBondContact OE1-NE 3.41Å; E83-R269 IonicContact OE1-NH2 3.51Å; E83-R269 PolarHBondContact OE1-NH2 2.58Å; E83-R269 VanDerWaalsContact OE1-NH2 3.12Å; E83-R269 IonicContact OE2-CZ 2.74Å; E83-R269 IonicContact OE2-NH2 3.33Å; E83-R269 PolarHBondContact OE2-NH2 3.05Å; E83-H357 IonicContact OE2-CE1 3.92Å; E83-H357 PolarHBondContact OE2-CE1 3.23Å; E83-H357 IonicContact OE2-ND1 3.2Å
84	C	92.3	Very high	95.7	Very high	14 Å²	14	9 Å²	9	10%	0.095	5%	0.047	C	C	.	.	H	α-helix	trans	-52.8	-65.6	-173.3	176.4	0	0	0	0	113.3	N87 I88 D242 H243	C84-N87 PolarHBondContact O-N 2.97Å; C84-I88 WeakPolarHBondContact O-CG1 3.5Å; C84-I88 PolarHBondContact O-N 2.72Å; C84-I88 WeakPolarHBondContact SG-CD1 3.45Å; C84-D242 VanDerWaalsContact CA-OD2 3.24Å; C84-D242 WeakPolarHBondContact CA-OD2 3.41Å; C84-D242 WeakPolarHBondContact CB-OD2 3.48Å; C84-D242 PolarHBondContact SG-OD2 3.41Å; C84-H243 PolarHBondContact N-CD2 3.41Å; C84-H243 VanDerWaalsContact N-CD2 3.33Å; C84-H243 PolarHBondContact N-NE2 3.23Å
85	Y	91.1	Very high	95.6	Very high	42 Å²	42	12.5 Å²	12.5	17%	0.165	6%	0.057	C	C	.	.	H	α-helix	trans	-59.7	-48.1	-172.7	-81.9	-129.2	0	0	0	114	N87 I88 Y89 P105 P143 I144	Y85-N87 VanDerWaalsContact C-N 3.3Å; Y85-N87 PolarHBondContact O-N 3.09Å; Y85-I88 PolarHBondContact O-N 2.78Å; Y85-Y89 VanDerWaalsContact O-CD2 3.32Å; Y85-Y89 WeakPolarHBondContact O-CD2 3.29Å; Y85-Y89 PolarHBondContact O-N 3.22Å; Y85-P105 HydrophobicContact CD1-CB 4.33Å; Y85-P105 HydrophobicContact CD2-CB 3.49Å; Y85-P105 VanDerWaalsContact CD2-CB 3.49Å; Y85-P105 HydrophobicContact CE2-CB 4.06Å; Y85-P105 HydrophobicContact CG-CB 3.64Å; Y85-P143 HydrophobicContact CD2-CB 4.49Å; Y85-P143 HydrophobicContact CE2-CB 3.49Å; Y85-P143 VanDerWaalsContact CE2-CB 3.49Å; Y85-P143 HydrophobicContact CE2-CG 4.32Å; Y85-P143 VanDerWaalsContact OH-CB 3.31Å; Y85-P143 WeakPolarHBondContact OH-CB 3.4Å; Y85-P143 PolarHBondContact OH-O 2.85Å; Y85-I144 HydrophobicContact CD1-CG2 4.46Å; Y85-I144 HydrophobicContact CE1-CG2 4.3Å
86	P	92.8	Very high	95.3	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-56.7	-44.5	176.6	-26.7	36.2	0	0	0	112.5	P81 E83 Y89 S90 P97 H100 V102 I103	P81-P86 HydrophobicContact CG-CG 4.19Å; E83-P86 HydrophobicContact CB-CG 4.22Å; E83-P86 WeakPolarHBondContact O-CD 3.46Å; P86-Y89 PolarHBondContact O-N 3.48Å; P86-S90 WeakPolarHBondContact O-CB 3.48Å; P86-S90 PolarHBondContact O-N 2.84Å; P86-S90 PolarHBondContact O-OG 3.41Å; P86-P97 HydrophobicContact CB-CB 4.4Å; P86-P97 HydrophobicContact CB-CG 3.81Å; P86-H100 PolarHBondContact O-NE2 3.38Å; P86-V102 WeakPolarHBondContact CA-O 3.47Å; P86-V102 WeakPolarHBondContact CB-O 3.31Å; P86-I103 VanDerWaalsContact CG-C 3.42Å; P86-I103 VanDerWaalsContact CG-O 3.24Å; P86-I103 WeakPolarHBondContact CG-O 3.4Å
87	N	96.3	Very high	95	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-73.2	-38.2	-178	-80.8	-82.7	0	0	0	112.9	P78 V79 P81 E83 C84 Y85 Y89 S90 L91 D242 S391	P78-N87 VanDerWaalsContact CA-OD1 3.31Å; P78-N87 WeakPolarHBondContact CA-OD1 3.47Å; P78-N87 WeakPolarHBondContact CB-OD1 2.99Å; V79-N87 HydrophobicContact CG2-CB 4.49Å; V79-N87 VanDerWaalsContact CG2-OD1 3.28Å; V79-N87 WeakPolarHBondContact CG2-OD1 3.42Å; V79-N87 PolarHBondContact N-OD1 2.89Å; V79-N87 PolarHBondContact O-ND2 3.21Å; P81-N87 PolarHBondContact O-ND2 3.13Å; E83-N87 PolarHBondContact N-ND2 2.79Å; E83-N87 WeakPolarHBondContact O-CB 2.66Å; E83-N87 PolarHBondContact O-N 2.77Å; E83-N87 PolarHBondContact O-ND2 2.68Å; C84-N87 PolarHBondContact O-N 2.97Å; Y85-N87 VanDerWaalsContact C-N 3.3Å; Y85-N87 PolarHBondContact O-N 3.09Å; N87-Y89 PolarHBondContact O-N 3.32Å; N87-S90 PolarHBondContact O-N 2.94Å; N87-L91 VanDerWaalsContact O-CG 3.25Å; N87-L91 WeakPolarHBondContact O-CG 3.41Å; N87-L91 PolarHBondContact O-N 2.93Å; N87-D242 HydrophobicContact CB-CB 3.89Å; N87-D242 WeakPolarHBondContact CB-O 3.35Å; N87-D242 PolarHBondContact OD1-O 3.05Å; N87-S391 PolarHBondContact OD1-OG 3.32Å; N87-S391 VanDerWaalsContact OD1-OG 3.07Å
88	I	95.4	Very high	94.4	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-55.8	-52.6	171.4	-70.4	-179.9	0	0	0	109.5	L41 C84 Y85 S90 L91 F92 L142 Y192 D242	L41-I88 HydrophobicContact CD2-CD1 4.33Å; L41-I88 HydrophobicContact CD2-CG1 4.09Å; C84-I88 WeakPolarHBondContact O-CG1 3.5Å; C84-I88 PolarHBondContact O-N 2.72Å; C84-I88 WeakPolarHBondContact SG-CD1 3.45Å; Y85-I88 PolarHBondContact O-N 2.78Å; I88-S90 VanDerWaalsContact C-N 3.34Å; I88-S90 PolarHBondContact O-N 3.45Å; I88-L91 WeakPolarHBondContact O-CB 3.42Å; I88-L91 PolarHBondContact O-N 2.9Å; I88-F92 HydrophobicContact CG2-CD2 4.09Å; I88-F92 HydrophobicContact CG2-CE2 4.38Å; I88-F92 VanDerWaalsContact O-CD2 3.22Å; I88-F92 WeakPolarHBondContact O-CD2 3.38Å; I88-F92 PolarHBondContact O-N 2.93Å; I88-F92 VanDerWaalsContact O-N 3.14Å; I88-L142 HydrophobicContact CG2-CD2 4.32Å; I88-Y192 HydrophobicContact CD1-CE2 4.39Å; I88-D242 HydrophobicContact CG1-CB 4.1Å
89	Y	94.4	Very high	94	Very high	3 Å²	3	16.4 Å²	16.4	1%	0.012	8%	0.082	C	C	.	.	H	α-helix	trans	-63.5	-39.3	179.4	-79.9	-65.3	0	0	0	112.3	Y85 P86 N87 L91 F92 T93 H100 V102 S121 W127 I144	Y85-Y89 VanDerWaalsContact O-CD2 3.32Å; Y85-Y89 WeakPolarHBondContact O-CD2 3.29Å; Y85-Y89 PolarHBondContact O-N 3.22Å; P86-Y89 PolarHBondContact O-N 3.48Å; N87-Y89 PolarHBondContact O-N 3.32Å; Y89-L91 PolarHBondContact O-N 2.84Å; Y89-F92 PolarHBondContact O-N 3.46Å; Y89-T93 VanDerWaalsContact O-CB 3.3Å; Y89-T93 WeakPolarHBondContact O-CB 3.25Å; Y89-T93 VanDerWaalsContact O-CG2 3.32Å; Y89-T93 WeakPolarHBondContact O-CG2 3.44Å; Y89-T93 PolarHBondContact O-N 3.22Å; Y89-T93 PolarHBondContact O-OG1 2.86Å; Y89-H100 VanDerWaalsContact CB-CE1 3.43Å; Y89-H100 WeakPolarHBondContact CB-CE1 3.19Å; Y89-V102 HydrophobicContact CD2-CB 3.73Å; Y89-V102 HydrophobicContact CD2-CG1 3.71Å; Y89-V102 HydrophobicContact CD2-CG2 3.68Å; Y89-V102 HydrophobicContact CE2-CB 4.18Å; Y89-V102 HydrophobicContact CE2-CG1 3.97Å; Y89-V102 HydrophobicContact CE2-CG2 3.74Å; Y89-V102 HydrophobicContact CG-CB 4.47Å; Y89-V102 HydrophobicContact CG-CG2 4.35Å; Y89-S121 VanDerWaalsContact CE1-CB 3.44Å; Y89-W127 HydrophobicContact CD1-CH2 4.18Å; Y89-W127 AromaticContact CD1-CZ2 3.98Å; Y89-W127 HydrophobicContact CD1-CZ2 3.98Å; Y89-W127 HydrophobicContact CE1-CH2 4.25Å; Y89-W127 AromaticContact CE1-CZ2 3.8Å; Y89-W127 HydrophobicContact CE1-CZ2 3.8Å; Y89-I144 HydrophobicContact CE2-CG2 3.94Å
90	S	96.6	Very high	93.6	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-60.8	-41.3	174.3	-72.6	0	0	0	0	113.6	V79 P86 N87 I88 F92 G94 R95 H100	V79-S90 VanDerWaalsContact CG2-OG 3.27Å; V79-S90 WeakPolarHBondContact CG2-OG 3.44Å; P86-S90 WeakPolarHBondContact O-CB 3.48Å; P86-S90 PolarHBondContact O-N 2.84Å; P86-S90 PolarHBondContact O-OG 3.41Å; N87-S90 PolarHBondContact O-N 2.94Å; I88-S90 VanDerWaalsContact C-N 3.34Å; I88-S90 PolarHBondContact O-N 3.45Å; S90-F92 VanDerWaalsContact C-N 3.32Å; S90-F92 PolarHBondContact O-N 3Å; S90-G94 WeakPolarHBondContact O-CA 3.14Å; S90-G94 PolarHBondContact O-N 2.89Å; S90-R95 VanDerWaalsContact CA-O 3.29Å; S90-R95 WeakPolarHBondContact CA-O 3.47Å; S90-R95 VanDerWaalsContact CB-O 3.29Å; S90-R95 WeakPolarHBondContact CB-O 3.2Å; S90-R95 PolarHBondContact OG-O 3.32Å; S90-H100 PolarHBondContact N-NE2 3.43Å; S90-H100 PolarHBondContact OG-NE2 3Å
91	L	97.6	Very high	93.1	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.005	8%	0.083	C	C	.	.	H	α-helix	trans	-58.6	-45	174.9	-71.5	169.1	0	0	0	110.9	L41 N87 I88 Y89 I394 H395 M398	L41-L91 HydrophobicContact CD1-CD1 3.91Å; N87-L91 VanDerWaalsContact O-CG 3.25Å; N87-L91 WeakPolarHBondContact O-CG 3.41Å; N87-L91 PolarHBondContact O-N 2.93Å; I88-L91 WeakPolarHBondContact O-CB 3.42Å; I88-L91 PolarHBondContact O-N 2.9Å; Y89-L91 PolarHBondContact O-N 2.84Å; L91-I394 HydrophobicContact CD2-CB 3.63Å; L91-I394 HydrophobicContact CD2-CG1 3.77Å; L91-I394 HydrophobicContact CD2-CG2 3.87Å; L91-H395 WeakPolarHBondContact O-CA 3.5Å; L91-H395 VanDerWaalsContact O-CB 3.24Å; L91-H395 WeakPolarHBondContact O-CB 3.22Å; L91-H395 PolarHBondContact O-N 3.43Å; L91-M398 VanDerWaalsContact C-CE 3.47Å; L91-M398 HydrophobicContact CB-CE 3.95Å; L91-M398 WeakPolarHBondContact O-CE 3.43Å
92	F	96.4	Very high	92.8	Very high	1 Å²	1	16.8 Å²	16.8	0%	0.004	9%	0.085	C	C	.	.	H	α-helix	trans	-93.9	-12.1	-171.3	-70.3	-78.1	0	0	0	115.2	L41 I88 Y89 S90 G125 L126 W127 L142 V190 H395 M398	L41-F92 HydrophobicContact CD2-CE2 4.39Å; I88-F92 HydrophobicContact CG2-CD2 4.09Å; I88-F92 HydrophobicContact CG2-CE2 4.38Å; I88-F92 VanDerWaalsContact O-CD2 3.22Å; I88-F92 WeakPolarHBondContact O-CD2 3.38Å; I88-F92 PolarHBondContact O-N 2.93Å; I88-F92 VanDerWaalsContact O-N 3.14Å; Y89-F92 PolarHBondContact O-N 3.46Å; S90-F92 VanDerWaalsContact C-N 3.32Å; S90-F92 PolarHBondContact O-N 3Å; F92-G125 CarbonylContact O-C 3.46Å; F92-G125 WeakPolarHBondContact O-CA 3.45Å; F92-L126 HydrophobicContact CD1-CB 4.35Å; F92-L126 HydrophobicContact CD1-CD1 4.19Å; F92-L126 PolarHBondContact O-N 3.44Å; F92-W127 HydrophobicContact CB-CE3 4Å; F92-W127 HydrophobicContact CB-CH2 3.46Å; F92-W127 VanDerWaalsContact CB-CH2 3.46Å; F92-W127 HydrophobicContact CB-CZ2 4.3Å; F92-W127 HydrophobicContact CB-CZ3 3.31Å; F92-W127 HydrophobicContact CD1-CE3 4.04Å; F92-W127 AromaticContact CD1-CZ3 3.78Å; F92-W127 HydrophobicContact CD1-CZ3 3.78Å; F92-W127 HydrophobicContact CD2-CE3 4.48Å; F92-W127 HydrophobicContact CD2-CH2 4.02Å; F92-W127 AromaticContact CD2-CZ3 3.48Å; F92-W127 HydrophobicContact CD2-CZ3 3.48Å; F92-W127 VanDerWaalsContact CD2-CZ3 3.48Å; F92-W127 HydrophobicContact CE1-CZ3 4.5Å; F92-W127 HydrophobicContact CE2-CZ3 4.25Å; F92-W127 AromaticContact CG-CE3 3.92Å; F92-W127 HydrophobicContact CG-CE3 3.92Å; F92-W127 AromaticContact CG-CH2 3.85Å; F92-W127 HydrophobicContact CG-CH2 3.85Å; F92-W127 AromaticContact CG-CZ3 3.22Å; F92-W127 HydrophobicContact CG-CZ3 3.22Å; F92-L142 HydrophobicContact CE2-CD2 4.42Å; F92-V190 HydrophobicContact CE1-CG2 3.67Å; F92-V190 HydrophobicContact CZ-CB 4.38Å; F92-V190 HydrophobicContact CZ-CG1 3.79Å; F92-V190 HydrophobicContact CZ-CG2 3.68Å; F92-H395 VanDerWaalsContact C-ND1 3.25Å; F92-H395 PolarHBondContact O-CE1 3.46Å; F92-H395 PolarHBondContact O-ND1 2.81Å; F92-M398 HydrophobicContact CD1-CE 3.84Å; F92-M398 HydrophobicContact CD1-SD 4.26Å; F92-M398 HydrophobicContact CE1-CE 3.86Å; F92-M398 HydrophobicContact CE1-SD 3.69Å; F92-M398 HydrophobicContact CG-CE 4.25Å; F92-M398 HydrophobicContact CZ-CE 4.28Å; F92-M398 HydrophobicContact CZ-SD 4.04Å
93	T	95.7	Very high	92.3	Very high	6 Å²	6	16.9 Å²	16.9	4%	0.037	9%	0.085	C	C	.	.	H	α-helix	trans	-108.5	-18.4	175.5	62.7	0	0	0	0	113.2	Y89 R95 H100	Y89-T93 VanDerWaalsContact O-CB 3.3Å; Y89-T93 WeakPolarHBondContact O-CB 3.25Å; Y89-T93 VanDerWaalsContact O-CG2 3.32Å; Y89-T93 WeakPolarHBondContact O-CG2 3.44Å; Y89-T93 PolarHBondContact O-N 3.22Å; Y89-T93 PolarHBondContact O-OG1 2.86Å; T93-R95 PolarHBondContact O-N 2.98Å; T93-R95 PolarHBondContact OG1-N 3Å; T93-H100 HydrophobicContact CG2-CB 4.49Å
94	G	96.3	Very high	91.8	Very high	22 Å²	22	17.2 Å²	17.2	23%	0.227	9%	0.087	C	C	.	.	S	Bend	trans	67.2	23.3	-173	0	0	0	0	0	113.4	S90 V392 H395	S90-G94 WeakPolarHBondContact O-CA 3.14Å; S90-G94 PolarHBondContact O-N 2.89Å; G94-V392 VanDerWaalsContact CA-O 3.31Å; G94-V392 WeakPolarHBondContact CA-O 3.5Å; G94-H395 VanDerWaalsContact CA-CG 3.5Å; G94-H395 VanDerWaalsContact N-CG 3.3Å
95	R	94.1	Very high	90.8	Very high	132 Å²	132	18 Å²	18	50%	0.498	9%	0.092	S	C	.	.			trans	-124.2	154.6	-175.2	-61.9	-55.8	179.5	170.2	-2	112.3	S90 T93 D99 H100 V123 V392	S90-R95 VanDerWaalsContact CA-O 3.29Å; S90-R95 WeakPolarHBondContact CA-O 3.47Å; S90-R95 VanDerWaalsContact CB-O 3.29Å; S90-R95 WeakPolarHBondContact CB-O 3.2Å; S90-R95 PolarHBondContact OG-O 3.32Å; T93-R95 PolarHBondContact O-N 2.98Å; T93-R95 PolarHBondContact OG1-N 3Å; R95-D99 HydrophobicContact CB-CB 3.84Å; R95-D99 HydrophobicContact CG-CB 4.32Å; R95-H100 HydrophobicContact CB-CB 4.4Å; R95-H100 PolarHBondContact O-CD2 3.33Å; R95-H100 VanDerWaalsContact O-CD2 3.23Å; R95-V123 HydrophobicContact CG-CB 4.48Å; R95-V123 HydrophobicContact CG-CG1 3.91Å; R95-V123 HydrophobicContact CG-CG2 4.46Å; R95-V392 WeakPolarHBondContact O-CG1 3.32Å
96	H	92.9	Very high	89.5	Confident	11 Å²	11	18.5 Å²	18.5	5%	0.051	10%	0.1	C	C	.	.			trans	-74.7	159.2	172.6	-79.8	-93.5	0	0	0	111.1	V98 D99 H100 W310 E311	H96-V98 HydrophobicContact CB-CG1 4.24Å; H96-V98 PolarHBondContact O-N 3.35Å; H96-V98 VanDerWaalsContact O-N 3.1Å; H96-D99 WeakPolarHBondContact O-CB 3.23Å; H96-D99 PolarHBondContact O-N 2.92Å; H96-H100 VanDerWaalsContact C-CD2 3.48Å; H96-H100 PolarHBondContact O-CD2 2.97Å; H96-H100 PolarHBondContact O-N 2.75Å; H96-H100 VanDerWaalsContact O-N 3.14Å; H96-W310 PolarHBondContact ND1-O 2.83Å; H96-E311 IonicContact CD2-OE2 3.41Å; H96-E311 PolarHBondContact CD2-OE2 3.34Å; H96-E311 IonicContact CE1-OE2 2.77Å; H96-E311 IonicContact NE2-OE2 3.29Å; H96-E311 PolarHBondContact NE2-OE2 3.41Å; H96-E311 VanDerWaalsContact NE2-OE2 3.14Å
97	P	90.8	Very high	87.6	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-52.8	-32.8	179.1	-35.7	43.4	0	0	0	115.6	V79 F80 P86 D99 H100 G101 V102 I103 L322	V79-P97 HydrophobicContact CB-CG 4.25Å; V79-P97 HydrophobicContact CG2-CG 3.73Å; F80-P97 WeakPolarHBondContact O-CG 3.4Å; P86-P97 HydrophobicContact CB-CB 4.4Å; P86-P97 HydrophobicContact CB-CG 3.81Å; P97-D99 VanDerWaalsContact C-N 3.28Å; P97-D99 PolarHBondContact O-N 3.41Å; P97-H100 VanDerWaalsContact CA-CE1 3.47Å; P97-H100 WeakPolarHBondContact CA-CE1 3.35Å; P97-H100 WeakPolarHBondContact CA-NE2 3.37Å; P97-G101 WeakPolarHBondContact O-CA 3.42Å; P97-G101 PolarHBondContact O-N 3.48Å; P97-V102 WeakPolarHBondContact CB-O 3.22Å; P97-V102 PolarHBondContact O-N 3.4Å; P97-I103 HydrophobicContact CB-CB 4.31Å; P97-I103 HydrophobicContact CB-CG1 4.24Å; P97-L322 WeakPolarHBondContact O-CD1 3.39Å
98	V	86.5	Confident	85.4	Confident	27 Å²	27	24.1 Å²	24.1	16%	0.164	13%	0.13	C	C	.	.	H	α-helix	trans	-64.7	-31.7	176.1	73	0	0	0	0	113.4	H96 E311 I312 T314	H96-V98 HydrophobicContact CB-CG1 4.24Å; H96-V98 PolarHBondContact O-N 3.35Å; H96-V98 VanDerWaalsContact O-N 3.1Å; V98-E311 WeakPolarHBondContact CG1-O 3.31Å; V98-I312 WeakPolarHBondContact CG2-O 3.49Å; V98-T314 HydrophobicContact CG2-CG2 3.31Å
99	D	88.4	Confident	83.1	Confident	80 Å²	80	25.5 Å²	25.5	43%	0.428	14%	0.14	S	C	.	.	H	α-helix	trans	-86.2	-45.7	-178.3	-64.5	-39.3	0	0	0	111.4	R95 H96 P97 G101 V123	R95-D99 HydrophobicContact CB-CB 3.84Å; R95-D99 HydrophobicContact CG-CB 4.32Å; H96-D99 WeakPolarHBondContact O-CB 3.23Å; H96-D99 PolarHBondContact O-N 2.92Å; P97-D99 VanDerWaalsContact C-N 3.28Å; P97-D99 PolarHBondContact O-N 3.41Å; D99-G101 VanDerWaalsContact C-N 3.32Å; D99-V123 WeakPolarHBondContact O-CG2 3.45Å
100	H	88.9	Confident	80.7	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-82.6	-10.7	179.9	66.1	70.2	0	0	0	113.2	P86 Y89 S90 T93 R95 H96 P97 V102 S121 Q122 V123	P86-H100 PolarHBondContact O-NE2 3.38Å; Y89-H100 VanDerWaalsContact CB-CE1 3.43Å; Y89-H100 WeakPolarHBondContact CB-CE1 3.19Å; S90-H100 PolarHBondContact N-NE2 3.43Å; S90-H100 PolarHBondContact OG-NE2 3Å; T93-H100 HydrophobicContact CG2-CB 4.49Å; R95-H100 HydrophobicContact CB-CB 4.4Å; R95-H100 PolarHBondContact O-CD2 3.33Å; R95-H100 VanDerWaalsContact O-CD2 3.23Å; H96-H100 VanDerWaalsContact C-CD2 3.48Å; H96-H100 PolarHBondContact O-CD2 2.97Å; H96-H100 PolarHBondContact O-N 2.75Å; H96-H100 VanDerWaalsContact O-N 3.14Å; P97-H100 VanDerWaalsContact CA-CE1 3.47Å; P97-H100 WeakPolarHBondContact CA-CE1 3.35Å; P97-H100 WeakPolarHBondContact CA-NE2 3.37Å; H100-V102 PolarHBondContact CE1-O 2.94Å; H100-V102 PolarHBondContact ND1-N 3.32Å; H100-S121 WeakPolarHBondContact CB-OG 3.24Å; H100-S121 CarbonylContact O-C 3.54Å; H100-S121 VanDerWaalsContact O-CA 3.25Å; H100-S121 WeakPolarHBondContact O-CA 3.35Å; H100-Q122 PolarHBondContact O-N 3.35Å; H100-V123 HydrophobicContact CB-CB 4.25Å; H100-V123 HydrophobicContact CB-CG2 4.32Å
101	G	85.2	Confident	78.5	Confident	4 Å²	4	37.4 Å²	37.4	4%	0.041	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.1	10.7	171.6	0	0	0	0	0	115.5	P97 D99	P97-G101 WeakPolarHBondContact O-CA 3.42Å; P97-G101 PolarHBondContact O-N 3.48Å; D99-G101 VanDerWaalsContact C-N 3.32Å
102	V	86.4	Confident	76.2	Confident	5 Å²	5	37.8 Å²	37.8	3%	0.03	20%	0.198	C	C	.	.			trans	-119.2	97.5	-178.4	-175.7	0	0	0	0	109.9	P86 Y89 P97 H100 I119	P86-V102 WeakPolarHBondContact CA-O 3.47Å; P86-V102 WeakPolarHBondContact CB-O 3.31Å; Y89-V102 HydrophobicContact CD2-CB 3.73Å; Y89-V102 HydrophobicContact CD2-CG1 3.71Å; Y89-V102 HydrophobicContact CD2-CG2 3.68Å; Y89-V102 HydrophobicContact CE2-CB 4.18Å; Y89-V102 HydrophobicContact CE2-CG1 3.97Å; Y89-V102 HydrophobicContact CE2-CG2 3.74Å; Y89-V102 HydrophobicContact CG-CB 4.47Å; Y89-V102 HydrophobicContact CG-CG2 4.35Å; P97-V102 WeakPolarHBondContact CB-O 3.22Å; P97-V102 PolarHBondContact O-N 3.4Å; H100-V102 PolarHBondContact CE1-O 2.94Å; H100-V102 PolarHBondContact ND1-N 3.32Å; V102-I119 HydrophobicContact CG2-CG2 4.15Å; V102-I119 WeakPolarHBondContact CG2-O 3.46Å
103	I	87.3	Confident	74.2	Confident	3 Å²	3	39.3 Å²	39.3	2%	0.015	21%	0.207	C	C	.	.			trans	-106.9	-18.1	-176.8	-161.8	165.7	0	0	0	113.9	P81 P86 P97 W274 L322 L323	P81-I103 WeakPolarHBondContact CD-O 3.4Å; P81-I103 WeakPolarHBondContact CG-O 3.39Å; P86-I103 VanDerWaalsContact CG-C 3.42Å; P86-I103 VanDerWaalsContact CG-O 3.24Å; P86-I103 WeakPolarHBondContact CG-O 3.4Å; P97-I103 HydrophobicContact CB-CB 4.31Å; P97-I103 HydrophobicContact CB-CG1 4.24Å; I103-W274 HydrophobicContact CD1-CH2 3.67Å; I103-W274 HydrophobicContact CD1-CZ3 4.02Å; I103-W274 HydrophobicContact CG1-CH2 3.71Å; I103-W274 HydrophobicContact CG1-CZ3 4.27Å; I103-W274 HydrophobicContact CG2-CZ3 4.34Å; I103-L322 HydrophobicContact CB-CB 4.17Å; I103-L322 HydrophobicContact CB-CD1 4.1Å; I103-L322 HydrophobicContact CD1-CB 3.78Å; I103-L322 HydrophobicContact CG2-CB 3.88Å; I103-L322 HydrophobicContact CG2-CD1 4.4Å; I103-L323 HydrophobicContact CD1-CD2 3.84Å; I103-L323 HydrophobicContact CD1-CG 4.02Å
104	L	81.9	Confident	72	Confident	11 Å²	11	44.2 Å²	44.2	6%	0.058	23%	0.232	C	C	.	.			trans	-139.5	148.1	179.9	-73.7	168.2	0	0	0	108.6	T106 L267 R269 W274	L104-T106 VanDerWaalsContact C-N 3.28Å; L104-T106 PolarHBondContact O-N 3.2Å; L104-L267 HydrophobicContact CD1-CD2 3.5Å; L104-L267 HydrophobicContact CD2-CD2 4.1Å; L104-L267 HydrophobicContact CG-CD2 4.36Å; L104-R269 HydrophobicContact CD2-CG 4.22Å; L104-W274 HydrophobicContact CD1-CD2 4Å; L104-W274 HydrophobicContact CD1-CE3 3.82Å; L104-W274 HydrophobicContact CD1-CZ3 4.16Å; L104-W274 HydrophobicContact CD2-CD2 4.23Å; L104-W274 HydrophobicContact CD2-CH2 4.43Å; L104-W274 HydrophobicContact CD2-CZ2 3.91Å; L104-W274 HydrophobicContact CG-CD2 4.46Å; L104-W274 HydrophobicContact CG-CE3 4.4Å; L104-W274 HydrophobicContact CG-CH2 4.37Å; L104-W274 HydrophobicContact CG-CZ2 4.33Å; L104-W274 HydrophobicContact CG-CZ3 4.36Å
105	P	70.8	Confident	69.9	Low	29 Å²	29	50.8 Å²	50.8	19%	0.188	26%	0.262	C	S	.	.	S	Bend	trans	-78.5	-13.5	179.3	29.8	-32.6	0	0	0	113.2	Y85 R269	Y85-P105 HydrophobicContact CD1-CB 4.33Å; Y85-P105 HydrophobicContact CD2-CB 3.49Å; Y85-P105 VanDerWaalsContact CD2-CB 3.49Å; Y85-P105 HydrophobicContact CE2-CB 4.06Å; Y85-P105 HydrophobicContact CG-CB 3.64Å; P105-R269 VanDerWaalsContact CG-CZ 3.42Å
106	T	65.4	Low	68	Low	54 Å²	54	47.7 Å²	47.7	33%	0.331	27%	0.271	S	S	.	.	S	Bend	trans	-100.6	142.5	179.2	52	0	0	0	0	112.2	L104 F108 T112	L104-T106 VanDerWaalsContact C-N 3.28Å; L104-T106 PolarHBondContact O-N 3.2Å; T106-F108 VanDerWaalsContact C-N 3.28Å; T106-F108 PolarHBondContact O-N 3.06Å; T106-T112 PolarHBondContact O-OG1 2.97Å
107	T	52.4	Low	66.3	Low	70 Å²	70	53 Å²	53	43%	0.429	29%	0.294	S	S	.	.			trans	-60.9	76.9	164.8	54.4	0	0	0	0	111.6	T113 P118	T107-T113 HydrophobicContact CG2-CG2 3.05Å; T107-P118 HydrophobicContact CG2-CB 4.05Å; T107-P118 HydrophobicContact CG2-CG 3.67Å
108	F	50.8	Low	64.7	Low	48 Å²	48	55.2 Å²	55.2	21%	0.211	31%	0.308	C	S	.	.			trans	-108.5	-1.7	-171.7	-158.6	-107.3	0	0	0	115	T106 T112 R265 L267 W276	T106-F108 VanDerWaalsContact C-N 3.28Å; T106-F108 PolarHBondContact O-N 3.06Å; F108-T112 PolarHBondContact N-OG1 3.31Å; F108-R265 HydrophobicContact CE1-CG 3.45Å; F108-R265 VanDerWaalsContact CE1-CG 3.45Å; F108-R265 HydrophobicContact CE2-CG 4.46Å; F108-R265 HydrophobicContact CZ-CG 3.36Å; F108-R265 PolarHBondContact O-NH1 3.07Å; F108-L267 HydrophobicContact CB-CD2 4.39Å; F108-L267 HydrophobicContact CD1-CB 4.01Å; F108-L267 HydrophobicContact CD1-CD2 4.08Å; F108-L267 HydrophobicContact CD2-CB 4.47Å; F108-L267 HydrophobicContact CD2-CD1 3.87Å; F108-L267 HydrophobicContact CD2-CD2 4.38Å; F108-L267 HydrophobicContact CD2-CG 4.47Å; F108-L267 HydrophobicContact CE1-CB 3.56Å; F108-L267 HydrophobicContact CE1-CD2 4.48Å; F108-L267 HydrophobicContact CE1-CG 4.46Å; F108-L267 HydrophobicContact CE2-CB 4.08Å; F108-L267 HydrophobicContact CE2-CD1 3.81Å; F108-L267 HydrophobicContact CE2-CG 4.43Å; F108-L267 HydrophobicContact CG-CB 4.42Å; F108-L267 HydrophobicContact CG-CD1 4.34Å; F108-L267 HydrophobicContact CG-CD2 4.01Å; F108-L267 HydrophobicContact CZ-CB 3.59Å; F108-L267 HydrophobicContact CZ-CD1 4.22Å; F108-L267 HydrophobicContact CZ-CG 4.4Å; F108-W276 AromaticContact CD1-CH2 3.86Å; F108-W276 HydrophobicContact CD1-CH2 3.86Å; F108-W276 AromaticContact CD1-CZ3 3.87Å; F108-W276 HydrophobicContact CD1-CZ3 3.87Å; F108-W276 HydrophobicContact CE1-CE3 4.09Å; F108-W276 AromaticContact CE1-CH2 3.94Å; F108-W276 HydrophobicContact CE1-CH2 3.94Å; F108-W276 AromaticContact CE1-CZ3 3.44Å; F108-W276 HydrophobicContact CE1-CZ3 3.44Å; F108-W276 VanDerWaalsContact CE1-CZ3 3.44Å
109	S	46.2	Very low	63.6	Low	29 Å²	29	54.7 Å²	54.7	20%	0.203	30%	0.304	C	S	.	.	S	Bend	trans	-159	166.3	176.4	61.7	0	0	0	0	109.9	H111 T112 T113	S109-H111 PolarHBondContact O-N 3.19Å; S109-H111 WeakPolarHBondContact OG-CA 3.5Å; S109-H111 WeakPolarHBondContact OG-CB 3.46Å; S109-H111 PolarHBondContact OG-N 3.32Å; S109-H111 VanDerWaalsContact OG-N 3.14Å; S109-T112 PolarHBondContact N-OG1 3.41Å; S109-T112 PolarHBondContact O-N 2.88Å; S109-T112 PolarHBondContact O-OG1 3.42Å; S109-T112 PolarHBondContact OG-N 3.04Å; S109-T112 PolarHBondContact OG-OG1 2.89Å; S109-T113 PolarHBondContact O-N 3.19Å; S109-T113 PolarHBondContact O-OG1 3.37Å
110	E	44.9	Very low	63	Low	171 Å²	171	54.6 Å²	54.6	80%	0.799	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-17.5	164.4	-63.2	-178.4	-179.4	0	0	111.8
111	H	48.6	Very low	62.8	Low	81 Å²	81	55 Å²	55	38%	0.375	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	8.3	174.2	-40.1	-62.7	0	0	0	114.9	S109 I119	S109-H111 PolarHBondContact O-N 3.19Å; S109-H111 WeakPolarHBondContact OG-CA 3.5Å; S109-H111 WeakPolarHBondContact OG-CB 3.46Å; S109-H111 PolarHBondContact OG-N 3.32Å; S109-H111 VanDerWaalsContact OG-N 3.14Å; H111-I119 WeakPolarHBondContact O-CD1 3.43Å
112	T	51	Low	62.6	Low	10 Å²	10	61.8 Å²	61.8	6%	0.061	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-135	2.5	168.9	45	0	0	0	0	111.8	T106 F108 S109 I119	T106-T112 PolarHBondContact O-OG1 2.97Å; F108-T112 PolarHBondContact N-OG1 3.31Å; S109-T112 PolarHBondContact N-OG1 3.41Å; S109-T112 PolarHBondContact O-N 2.88Å; S109-T112 PolarHBondContact O-OG1 3.42Å; S109-T112 PolarHBondContact OG-N 3.04Å; S109-T112 PolarHBondContact OG-OG1 2.89Å; T112-I119 VanDerWaalsContact N-CD1 3.32Å; T112-I119 PolarHBondContact O-N 3.43Å
113	T	52.8	Low	62.7	Low	32 Å²	32	63.6 Å²	63.6	20%	0.196	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	136	164	43.2	0	0	0	0	114.2	T107 S109 K117	T107-T113 HydrophobicContact CG2-CG2 3.05Å; S109-T113 PolarHBondContact O-N 3.19Å; S109-T113 PolarHBondContact O-OG1 3.37Å; T113-K117 CarbonylContact C-O 3.58Å; T113-K117 WeakPolarHBondContact CA-O 3.18Å; T113-K117 WeakPolarHBondContact CB-O 3.35Å; T113-K117 WeakPolarHBondContact CG2-O 3.31Å
114	I	50.8	Low	62.9	Low	109 Å²	109	67 Å²	67	56%	0.559	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.8	119.9	160.5	-61.9	173.2	0	0	0	107.2	G116 K117 I119	I114-G116 VanDerWaalsContact C-N 3.3Å; I114-G116 PolarHBondContact O-N 3.38Å; I114-K117 PolarHBondContact N-O 3.44Å; I114-K117 PolarHBondContact O-N 2.97Å; I114-K117 VanDerWaalsContact O-N 3.08Å; I114-I119 HydrophobicContact CG1-CD1 4.43Å; I114-I119 HydrophobicContact CG1-CG1 4.15Å
115	N	52.5	Low	63.4	Low	160 Å²	160	66.5 Å²	66.5	86%	0.856	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	39	-179.9	-57.1	-31.9	0	0	0	114.2	K117	N115-K117 PolarHBondContact O-N 3.32Å
116	G	54.2	Low	64.6	Low	67 Å²	67	65.1 Å²	65.1	69%	0.691	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	74	3.1	-179.1	0	0	0	0	0	114.9	I114	I114-G116 VanDerWaalsContact C-N 3.3Å; I114-G116 PolarHBondContact O-N 3.38Å
117	K	56.6	Low	65.8	Low	124 Å²	124	62.7 Å²	62.7	54%	0.539	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	141.7	172.9	-63.1	-172	177.2	-170.4	0	110.4	T113 I114 N115	T113-K117 CarbonylContact C-O 3.58Å; T113-K117 WeakPolarHBondContact CA-O 3.18Å; T113-K117 WeakPolarHBondContact CB-O 3.35Å; T113-K117 WeakPolarHBondContact CG2-O 3.31Å; I114-K117 PolarHBondContact N-O 3.44Å; I114-K117 PolarHBondContact O-N 2.97Å; I114-K117 VanDerWaalsContact O-N 3.08Å; N115-K117 PolarHBondContact O-N 3.32Å
118	P	57.8	Low	67.7	Low	46 Å²	46	60.4 Å²	60.4	30%	0.299	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-50.6	143.9	175	-28.1	37.4	0	0	0	112.5	T107 R120 T147	T107-P118 HydrophobicContact CG2-CB 4.05Å; T107-P118 HydrophobicContact CG2-CG 3.67Å; P118-R120 PolarHBondContact O-N 3.31Å; P118-R120 VanDerWaalsContact O-N 3.16Å; P118-T147 HydrophobicContact CB-CG2 3.9Å; P118-T147 HydrophobicContact CG-CG2 3.54Å
119	I	63.4	Low	69.8	Low	16 Å²	16	58.7 Å²	58.7	8%	0.082	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-68.2	116.4	175.7	-78.7	-176.8	0	0	0	109.3	V102 H111 T112 I114	V102-I119 HydrophobicContact CG2-CG2 4.15Å; V102-I119 WeakPolarHBondContact CG2-O 3.46Å; H111-I119 WeakPolarHBondContact O-CD1 3.43Å; T112-I119 VanDerWaalsContact N-CD1 3.32Å; T112-I119 PolarHBondContact O-N 3.43Å; I114-I119 HydrophobicContact CG1-CD1 4.43Å; I114-I119 HydrophobicContact CG1-CG1 4.15Å
120	R	75.4	Confident	72	Confident	78 Å²	78	57.3 Å²	57.3	29%	0.294	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-66.9	149.3	160.1	-176.4	-178.4	175.2	159.6	-19.4	109.1	P118 Q122 E128 E148 N153	P118-R120 PolarHBondContact O-N 3.31Å; P118-R120 VanDerWaalsContact O-N 3.16Å; R120-Q122 PolarHBondContact O-N 2.84Å; R120-E128 IonicContact CZ-OE1 2.78Å; R120-E128 IonicContact NE-OE1 2.61Å; R120-E128 PolarHBondContact NE-OE1 3.22Å; R120-E128 IonicContact NH2-OE1 3.88Å; R120-E128 PolarHBondContact NH2-OE1 3.5Å; R120-E148 WeakPolarHBondContact CD-OE1 3.43Å; R120-E148 WeakPolarHBondContact CG-OE1 3.42Å; R120-E148 IonicContact CZ-OE1 2.68Å; R120-E148 IonicContact CZ-OE2 2.89Å; R120-E148 IonicContact NE-OE1 3.17Å; R120-E148 IonicContact NH1-OE1 3.8Å; R120-E148 IonicContact NH1-OE2 2.85Å; R120-E148 PolarHBondContact NH1-OE2 3.02Å; R120-N153 PolarHBondContact NH1-OD1 2.61Å
121	S	84.4	Confident	74.3	Confident	9 Å²	9	50.8 Å²	50.8	6%	0.063	27%	0.272	C	S	.	.			trans	-45.8	131.6	168	169.3	0	0	0	0	111.6	Y89 H100 V123	Y89-S121 VanDerWaalsContact CE1-CB 3.44Å; H100-S121 WeakPolarHBondContact CB-OG 3.24Å; H100-S121 CarbonylContact O-C 3.54Å; H100-S121 VanDerWaalsContact O-CA 3.25Å; H100-S121 WeakPolarHBondContact O-CA 3.35Å; S121-V123 PolarHBondContact O-N 3.22Å; S121-V123 PolarHBondContact OG-N 2.95Å; S121-V123 PolarHBondContact OG-O 3.21Å
122	Q	81.9	Confident	76.4	Confident	146 Å²	146	53.9 Å²	53.9	68%	0.682	28%	0.284	S	S	*	.	S	Bend	trans	-76.7	-9.6	172.6	-59.9	-179.6	15.9	0	0	112	H100 R120	H100-Q122 PolarHBondContact O-N 3.35Å; R120-Q122 PolarHBondContact O-N 2.84Å
123	V	87.7	Confident	78.5	Confident	43 Å²	43	56.2 Å²	56.2	26%	0.261	29%	0.294	S	S	.	.	S	Bend	trans	-108.1	140.4	178.7	179.6	0	0	0	0	109.9	R95 D99 H100 S121 G125	R95-V123 HydrophobicContact CG-CB 4.48Å; R95-V123 HydrophobicContact CG-CG1 3.91Å; R95-V123 HydrophobicContact CG-CG2 4.46Å; D99-V123 WeakPolarHBondContact O-CG2 3.45Å; H100-V123 HydrophobicContact CB-CB 4.25Å; H100-V123 HydrophobicContact CB-CG2 4.32Å; S121-V123 PolarHBondContact O-N 3.22Å; S121-V123 PolarHBondContact OG-N 2.95Å; S121-V123 PolarHBondContact OG-O 3.21Å; V123-G125 PolarHBondContact O-N 2.94Å
124	E	90.7	Very high	80.4	Confident	74 Å²	74	62.1 Å²	62.1	35%	0.346	32%	0.324	S	S	.	.			trans	-59.4	130	173	-165.3	179.3	119.4	0	0	111.5	E128 T129 K132	E124-E128 HydrophobicContact CG-CB 3.52Å; E124-E128 HydrophobicContact CG-CG 4.35Å; E124-T129 VanDerWaalsContact OE1-CA 3.26Å; E124-T129 WeakPolarHBondContact OE1-CA 3.37Å; E124-T129 WeakPolarHBondContact OE1-CB 3.25Å; E124-T129 PolarHBondContact OE1-OG1 3.22Å; E124-K132 WeakPolarHBondContact OE2-CE 3.2Å; E124-K132 IonicContact OE2-NZ 3.44Å; E124-K132 PolarHBondContact OE2-NZ 3.32Å
125	G	93.5	Very high	82.5	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	31%	0.307	C	S	.	.			trans	-105.4	179.9	172.2	0	0	0	0	0	112.8	F92 V123 W127 E128 T129	F92-G125 CarbonylContact O-C 3.46Å; F92-G125 WeakPolarHBondContact O-CA 3.45Å; V123-G125 PolarHBondContact O-N 2.94Å; G125-W127 PolarHBondContact O-N 2.87Å; G125-W127 VanDerWaalsContact O-N 3.14Å; G125-E128 VanDerWaalsContact CA-OE2 3.29Å; G125-E128 WeakPolarHBondContact CA-OE2 3.43Å; G125-E128 PolarHBondContact N-OE2 2.75Å; G125-E128 PolarHBondContact O-N 2.88Å; G125-E128 VanDerWaalsContact O-N 3.16Å; G125-E128 VanDerWaalsContact O-OE2 3.09Å; G125-T129 PolarHBondContact O-N 3.47Å; G125-T129 PolarHBondContact O-OG1 2.65Å; G125-T129 VanDerWaalsContact O-OG1 3.07Å
126	L	94.6	Very high	84.4	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-59	-28	-178	-66.9	-179.8	0	0	0	113.9	F92 G130 L188 H395 M398 A399 I404 L406	F92-L126 HydrophobicContact CD1-CB 4.35Å; F92-L126 HydrophobicContact CD1-CD1 4.19Å; F92-L126 PolarHBondContact O-N 3.44Å; L126-G130 PolarHBondContact O-N 3.48Å; L126-L188 HydrophobicContact CB-CD2 3.96Å; L126-L188 HydrophobicContact CD1-CD2 4.38Å; L126-H395 WeakPolarHBondContact CD2-CE1 3.23Å; L126-H395 VanDerWaalsContact CG-CE1 3.49Å; L126-H395 WeakPolarHBondContact CG-CE1 3.39Å; L126-M398 HydrophobicContact CD1-CB 3.58Å; L126-M398 HydrophobicContact CD1-CE 4.13Å; L126-A399 HydrophobicContact CD2-CB 3.67Å; L126-I404 HydrophobicContact CD2-CG2 4.31Å; L126-L406 HydrophobicContact CD2-CD2 3.84Å
127	W	92	Very high	86.4	Confident	4 Å²	4	49.5 Å²	49.5	2%	0.015	25%	0.245	C	C	.	.	H	α-helix	trans	-72.2	-38.3	178.3	47.8	74.3	0	0	0	112.5	Y89 F92 G125 V131 V137 L139 I144 W155	Y89-W127 HydrophobicContact CD1-CH2 4.18Å; Y89-W127 AromaticContact CD1-CZ2 3.98Å; Y89-W127 HydrophobicContact CD1-CZ2 3.98Å; Y89-W127 HydrophobicContact CE1-CH2 4.25Å; Y89-W127 AromaticContact CE1-CZ2 3.8Å; Y89-W127 HydrophobicContact CE1-CZ2 3.8Å; F92-W127 HydrophobicContact CB-CE3 4Å; F92-W127 HydrophobicContact CB-CH2 3.46Å; F92-W127 VanDerWaalsContact CB-CH2 3.46Å; F92-W127 HydrophobicContact CB-CZ2 4.3Å; F92-W127 HydrophobicContact CB-CZ3 3.31Å; F92-W127 HydrophobicContact CD1-CE3 4.04Å; F92-W127 AromaticContact CD1-CZ3 3.78Å; F92-W127 HydrophobicContact CD1-CZ3 3.78Å; F92-W127 HydrophobicContact CD2-CE3 4.48Å; F92-W127 HydrophobicContact CD2-CH2 4.02Å; F92-W127 AromaticContact CD2-CZ3 3.48Å; F92-W127 HydrophobicContact CD2-CZ3 3.48Å; F92-W127 VanDerWaalsContact CD2-CZ3 3.48Å; F92-W127 HydrophobicContact CE1-CZ3 4.5Å; F92-W127 HydrophobicContact CE2-CZ3 4.25Å; F92-W127 AromaticContact CG-CE3 3.92Å; F92-W127 HydrophobicContact CG-CE3 3.92Å; F92-W127 AromaticContact CG-CH2 3.85Å; F92-W127 HydrophobicContact CG-CH2 3.85Å; F92-W127 AromaticContact CG-CZ3 3.22Å; F92-W127 HydrophobicContact CG-CZ3 3.22Å; G125-W127 PolarHBondContact O-N 2.87Å; G125-W127 VanDerWaalsContact O-N 3.14Å; W127-V131 WeakPolarHBondContact O-CG2 3.43Å; W127-V131 PolarHBondContact O-N 3.29Å; W127-V137 HydrophobicContact CB-CB 4.31Å; W127-V137 HydrophobicContact CB-CG1 3.72Å; W127-L139 HydrophobicContact CB-CD1 4.28Å; W127-L139 HydrophobicContact CD2-CD1 3.99Å; W127-L139 HydrophobicContact CE3-CD1 3.69Å; W127-L139 HydrophobicContact CE3-CD2 4.24Å; W127-L139 HydrophobicContact CG-CD1 4.21Å; W127-L139 HydrophobicContact CZ3-CD1 4.36Å; W127-I144 HydrophobicContact CE3-CD1 4.44Å; W127-I144 HydrophobicContact CH2-CD1 3.43Å; W127-I144 VanDerWaalsContact CH2-CD1 3.43Å; W127-I144 HydrophobicContact CZ2-CD1 3.75Å; W127-I144 HydrophobicContact CZ3-CD1 3.78Å; W127-W155 HydrophobicContact CB-CD2 4.05Å; W127-W155 HydrophobicContact CB-CG 3.92Å; W127-W155 AromaticContact CD1-CE2 3.58Å; W127-W155 AromaticContact CD1-CZ2 3.72Å; W127-W155 AromaticContact CD1-NE1 3.91Å; W127-W155 HydrophobicContact CG-CD2 4.36Å
128	E	91.9	Very high	88.3	Confident	21 Å²	21	45 Å²	45	10%	0.098	23%	0.226	C	C	.	.	H	α-helix	trans	-73.9	-43.2	171	-60.4	91.7	169.5	0	0	111.7	R120 E124 G125 G130 V131 K132 W155	R120-E128 IonicContact CZ-OE1 2.78Å; R120-E128 IonicContact NE-OE1 2.61Å; R120-E128 PolarHBondContact NE-OE1 3.22Å; R120-E128 IonicContact NH2-OE1 3.88Å; R120-E128 PolarHBondContact NH2-OE1 3.5Å; E124-E128 HydrophobicContact CG-CB 3.52Å; E124-E128 HydrophobicContact CG-CG 4.35Å; G125-E128 VanDerWaalsContact CA-OE2 3.29Å; G125-E128 WeakPolarHBondContact CA-OE2 3.43Å; G125-E128 PolarHBondContact N-OE2 2.75Å; G125-E128 PolarHBondContact O-N 2.88Å; G125-E128 VanDerWaalsContact O-N 3.16Å; G125-E128 VanDerWaalsContact O-OE2 3.09Å; E128-G130 VanDerWaalsContact C-N 3.32Å; E128-G130 PolarHBondContact O-N 3.12Å; E128-V131 PolarHBondContact O-N 3.17Å; E128-K132 WeakPolarHBondContact O-CG 3.45Å; E128-K132 PolarHBondContact O-N 3.22Å; E128-W155 HydrophobicContact CG-CE3 4.44Å; E128-W155 HydrophobicContact CG-CH2 4.03Å; E128-W155 HydrophobicContact CG-CZ3 3.79Å
129	T	94.3	Very high	90.1	Very high	12 Å²	12	42.8 Å²	42.8	7%	0.074	21%	0.212	C	C	.	.	H	α-helix	trans	-60.7	-42.2	-179.8	-58.2	0	0	0	0	111.4	E124 G125 K132 Q133 I404 L406	E124-T129 VanDerWaalsContact OE1-CA 3.26Å; E124-T129 WeakPolarHBondContact OE1-CA 3.37Å; E124-T129 WeakPolarHBondContact OE1-CB 3.25Å; E124-T129 PolarHBondContact OE1-OG1 3.22Å; G125-T129 PolarHBondContact O-N 3.47Å; G125-T129 PolarHBondContact O-OG1 2.65Å; G125-T129 VanDerWaalsContact O-OG1 3.07Å; T129-K132 PolarHBondContact O-N 2.94Å; T129-Q133 VanDerWaalsContact O-CG 3.32Å; T129-Q133 WeakPolarHBondContact O-CG 3.37Å; T129-Q133 PolarHBondContact O-N 2.98Å; T129-I404 HydrophobicContact CG2-CG2 3.66Å; T129-L406 HydrophobicContact CG2-CD2 4.41Å
130	G	94	Very high	91.6	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-58.5	-52	176	0	0	0	0	0	111.8	L126 E128 K132 Q133 N134 K135	L126-G130 PolarHBondContact O-N 3.48Å; E128-G130 VanDerWaalsContact C-N 3.32Å; E128-G130 PolarHBondContact O-N 3.12Å; G130-K132 VanDerWaalsContact C-N 3.33Å; G130-K132 PolarHBondContact O-N 3.39Å; G130-Q133 CarbonylContact O-C 3.57Å; G130-Q133 WeakPolarHBondContact O-CA 3.4Å; G130-Q133 PolarHBondContact O-N 3.24Å; G130-N134 PolarHBondContact O-N 3Å; G130-K135 CarbonylContact C-O 3.53Å; G130-K135 WeakPolarHBondContact O-CA 3.3Å; G130-K135 VanDerWaalsContact O-CB 3.31Å; G130-K135 WeakPolarHBondContact O-CB 3.21Å; G130-K135 PolarHBondContact O-N 3.13Å
131	V	91.7	Very high	92.5	Very high	35 Å²	35	38.8 Å²	38.8	21%	0.212	20%	0.196	C	C	.	.	H	α-helix	trans	-57.1	-46.4	177.6	171.1	0	0	0	0	111.4	W127 E128 Q133 N134 K135 S154 W155	W127-V131 WeakPolarHBondContact O-CG2 3.43Å; W127-V131 PolarHBondContact O-N 3.29Å; E128-V131 PolarHBondContact O-N 3.17Å; V131-Q133 PolarHBondContact O-N 3.46Å; V131-N134 PolarHBondContact O-N 3.24Å; V131-K135 PolarHBondContact N-O 2.79Å; V131-S154 WeakPolarHBondContact CG2-O 3.36Å; V131-W155 HydrophobicContact CG2-CB 3.79Å; V131-W155 HydrophobicContact CG2-CE3 4.2Å
132	K	93.9	Very high	92.8	Very high	145 Å²	145	38.4 Å²	38.4	63%	0.63	19%	0.193	S	C	*	.	H	α-helix	trans	-58.1	-23.1	178.9	-74.2	-178.9	178.8	-171.8	0	113	E124 E128 T129 G130	E124-K132 WeakPolarHBondContact OE2-CE 3.2Å; E124-K132 IonicContact OE2-NZ 3.44Å; E124-K132 PolarHBondContact OE2-NZ 3.32Å; E128-K132 WeakPolarHBondContact O-CG 3.45Å; E128-K132 PolarHBondContact O-N 3.22Å; T129-K132 PolarHBondContact O-N 2.94Å; G130-K132 VanDerWaalsContact C-N 3.33Å; G130-K132 PolarHBondContact O-N 3.39Å
133	Q	94.3	Very high	92.9	Very high	59 Å²	59	32.1 Å²	32.1	28%	0.276	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	14.3	178.1	-63.6	176.5	27.1	0	0	113.2	T129 G130 V131 K135 N405	T129-Q133 VanDerWaalsContact O-CG 3.32Å; T129-Q133 WeakPolarHBondContact O-CG 3.37Å; T129-Q133 PolarHBondContact O-N 2.98Å; G130-Q133 CarbonylContact O-C 3.57Å; G130-Q133 WeakPolarHBondContact O-CA 3.4Å; G130-Q133 PolarHBondContact O-N 3.24Å; V131-Q133 PolarHBondContact O-N 3.46Å; Q133-K135 HydrophobicContact CB-CG 4.1Å; Q133-K135 PolarHBondContact O-N 2.78Å; Q133-N405 PolarHBondContact NE2-O 2.91Å
134	N	93	Very high	92.6	Very high	156 Å²	156	30.2 Å²	30.2	83%	0.834	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.6	35.5	-173.5	-57.7	-57.1	0	0	0	112.7	G130 V131	G130-N134 PolarHBondContact O-N 3Å; V131-N134 PolarHBondContact O-N 3.24Å
135	K	94	Very high	92.3	Very high	47 Å²	47	26.8 Å²	26.8	20%	0.204	14%	0.137	C	C	.	.			trans	-104.1	127.4	172.5	-59	-71.8	-177.9	176	0	108.7	S34 G130 V131 Q133 N187 S403 I404	S34-K135 PolarHBondContact OG-NZ 3.45Å; G130-K135 CarbonylContact C-O 3.53Å; G130-K135 WeakPolarHBondContact O-CA 3.3Å; G130-K135 VanDerWaalsContact O-CB 3.31Å; G130-K135 WeakPolarHBondContact O-CB 3.21Å; G130-K135 PolarHBondContact O-N 3.13Å; V131-K135 PolarHBondContact N-O 2.79Å; Q133-K135 HydrophobicContact CB-CG 4.1Å; Q133-K135 PolarHBondContact O-N 2.78Å; K135-N187 VanDerWaalsContact CA-OD1 3.27Å; K135-N187 WeakPolarHBondContact CA-OD1 3.34Å; K135-N187 HydrophobicContact CB-CB 4.01Å; K135-N187 HydrophobicContact CD-CB 4.14Å; K135-N187 VanDerWaalsContact CD-CG 3.45Å; K135-N187 WeakPolarHBondContact CD-OD1 3.38Å; K135-S403 WeakPolarHBondContact CE-O 3.25Å; K135-I404 HydrophobicContact CB-CG1 4.43Å; K135-I404 HydrophobicContact CG-CG1 4.46Å
136	G	93.6	Very high	91.2	Very high	21 Å²	21	29.6 Å²	29.6	22%	0.216	16%	0.157	C	C	.	.			trans	-69.9	138.1	178.5	0	0	0	0	0	111.4	S185 A186 N187 L188	G136-S185 WeakPolarHBondContact CA-O 3.19Å; G136-A186 CarbonylContact O-C 3.59Å; G136-A186 WeakPolarHBondContact O-CA 3.48Å; G136-N187 PolarHBondContact N-OD1 2.77Å; G136-N187 VanDerWaalsContact N-OD1 3.1Å; G136-N187 PolarHBondContact O-N 2.85Å; G136-L188 PolarHBondContact O-N 3.2Å
137	V	95.8	Very high	89.7	Confident	3 Å²	3	31.4 Å²	31.4	2%	0.018	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	126.7	175.4	-174.6	0	0	0	0	109.6	W127 L139 W155 Y156 L188 I404	W127-V137 HydrophobicContact CB-CB 4.31Å; W127-V137 HydrophobicContact CB-CG1 3.72Å; V137-L139 HydrophobicContact CG1-CD2 4.06Å; V137-L139 HydrophobicContact CG1-CG 4.48Å; V137-W155 HydrophobicContact CB-CB 4.04Å; V137-W155 WeakPolarHBondContact O-CB 3.44Å; V137-Y156 PolarHBondContact O-N 3.3Å; V137-L188 WeakPolarHBondContact CA-O 3.43Å; V137-L188 HydrophobicContact CG1-CB 4.19Å; V137-L188 HydrophobicContact CG1-CD2 4.06Å; V137-L188 HydrophobicContact CG1-CG 4.17Å; V137-L188 HydrophobicContact CG2-CB 4.27Å; V137-I404 HydrophobicContact CG2-CD1 4.49Å
138	H	96.2	Very high	88.1	Confident	30 Å²	30	32 Å²	32	14%	0.139	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	119.2	-177.7	-75.8	-145.3	0	0	0	109.9	Y140 Y156 S185 A186 L188 A189 V190	H138-Y140 HydrophobicContact CB-CE2 3.64Å; H138-Y140 PolarHBondContact ND1-OH 2.79Å; H138-Y140 VanDerWaalsContact ND1-OH 3.1Å; H138-Y156 CarbonylContact C-O 3.46Å; H138-Y156 WeakPolarHBondContact CA-O 3.35Å; H138-Y156 HydrophobicContact CB-CD1 4.03Å; H138-Y156 AromaticContact CG-CD1 3.91Å; H138-Y156 AromaticContact ND1-CD1 3.82Å; H138-S185 PolarHBondContact CE1-OG 3.11Å; H138-S185 PolarHBondContact NE2-O 3.37Å; H138-S185 PolarHBondContact NE2-OG 2.87Å; H138-A186 HydrophobicContact CB-CB 4.23Å; H138-L188 PolarHBondContact N-O 2.83Å; H138-A189 HydrophobicContact CB-CB 4.43Å; H138-A189 CarbonylContact O-C 3.58Å; H138-A189 WeakPolarHBondContact O-CA 3.38Å; H138-V190 PolarHBondContact O-N 2.69Å
139	L	95.6	Very high	86.1	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	130.5	177.6	-52.3	-178.5	0	0	0	108.4	W127 V137 L142 I144 Y156 C157 E158 V190	W127-L139 HydrophobicContact CB-CD1 4.28Å; W127-L139 HydrophobicContact CD2-CD1 3.99Å; W127-L139 HydrophobicContact CE3-CD1 3.69Å; W127-L139 HydrophobicContact CE3-CD2 4.24Å; W127-L139 HydrophobicContact CG-CD1 4.21Å; W127-L139 HydrophobicContact CZ3-CD1 4.36Å; V137-L139 HydrophobicContact CG1-CD2 4.06Å; V137-L139 HydrophobicContact CG1-CG 4.48Å; L139-L142 HydrophobicContact CB-CD1 4.33Å; L139-I144 HydrophobicContact CD1-CD1 4.49Å; L139-Y156 PolarHBondContact N-O 2.98Å; L139-C157 CarbonylContact O-C 3.54Å; L139-C157 WeakPolarHBondContact O-CA 3.41Å; L139-E158 PolarHBondContact O-N 3.49Å; L139-V190 HydrophobicContact CD2-CB 3.71Å; L139-V190 HydrophobicContact CD2-CG2 3.49Å; L139-V190 VanDerWaalsContact CD2-CG2 3.49Å
140	Y	95.7	Very high	84	Confident	4 Å²	4	37.4 Å²	37.4	2%	0.016	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	111.7	-178.3	-61.4	-87.4	0	0	0	109.8	H138 L142 Y156 E158 T173 K176 A177 A189 V190 V191 Y192	H138-Y140 HydrophobicContact CB-CE2 3.64Å; H138-Y140 PolarHBondContact ND1-OH 2.79Å; H138-Y140 VanDerWaalsContact ND1-OH 3.1Å; Y140-L142 PolarHBondContact O-N 2.89Å; Y140-Y156 HydrophobicContact CD1-CE1 4.09Å; Y140-Y156 HydrophobicContact CE1-CD1 4.29Å; Y140-Y156 AromaticContact CE1-CE1 3.55Å; Y140-Y156 HydrophobicContact CE1-CE1 3.55Å; Y140-E158 HydrophobicContact CD1-CB 4.2Å; Y140-E158 VanDerWaalsContact CD1-OE2 3.22Å; Y140-E158 WeakPolarHBondContact CD1-OE2 3.35Å; Y140-T173 HydrophobicContact CD1-CG2 4.05Å; Y140-T173 HydrophobicContact CG-CG2 3.88Å; Y140-K176 HydrophobicContact CD1-CD 4.39Å; Y140-K176 HydrophobicContact CE1-CD 3.72Å; Y140-K176 HydrophobicContact CE1-CG 3.92Å; Y140-A177 HydrophobicContact CD2-CB 3.87Å; Y140-A177 HydrophobicContact CE2-CB 3.48Å; Y140-A177 VanDerWaalsContact CE2-CB 3.48Å; Y140-A189 HydrophobicContact CE2-CB 4.26Å; Y140-V190 PolarHBondContact N-O 3.23Å; Y140-V191 HydrophobicContact CD2-CG2 4.05Å; Y140-V191 HydrophobicContact CG-CG2 4.48Å; Y140-Y192 PolarHBondContact O-N 3.44Å; Y140-Y192 VanDerWaalsContact O-N 3.1Å
141	H	93.3	Very high	82	Confident	6 Å²	6	40.5 Å²	40.5	3%	0.028	25%	0.247	C	C	.	.	S	Bend	trans	62.7	15.8	173.4	-43.7	-56	0	0	0	116.1	E158 P159 Y160 M165 T173 Y192	H141-E158 VanDerWaalsContact CE1-CD 3.5Å; H141-E158 IonicContact CE1-OE1 3.76Å; H141-E158 PolarHBondContact CE1-OE1 2.83Å; H141-E158 PolarHBondContact N-O 2.84Å; H141-E158 VanDerWaalsContact N-O 3.07Å; H141-E158 IonicContact NE2-OE1 3.09Å; H141-P159 PolarHBondContact ND1-O 2.74Å; H141-Y160 WeakPolarHBondContact O-CD2 3.19Å; H141-M165 HydrophobicContact CB-CE 3.48Å; H141-M165 VanDerWaalsContact CB-CE 3.48Å; H141-T173 PolarHBondContact NE2-OG1 3.21Å; H141-Y192 WeakPolarHBondContact O-CD1 3.4Å
142	L	90.5	Very high	80.2	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	28%	0.282	C	S	.	.			trans	-60.5	140.8	171.8	-86.7	72.8	0	0	0	109.2	I88 F92 L139 Y140 I144 C145 V190 Y192	I88-L142 HydrophobicContact CG2-CD2 4.32Å; F92-L142 HydrophobicContact CE2-CD2 4.42Å; L139-L142 HydrophobicContact CB-CD1 4.33Å; Y140-L142 PolarHBondContact O-N 2.89Å; L142-I144 HydrophobicContact CB-CG1 3.98Å; L142-I144 HydrophobicContact CD2-CD1 4.25Å; L142-I144 HydrophobicContact CD2-CG1 4.4Å; L142-I144 PolarHBondContact O-N 2.84Å; L142-C145 VanDerWaalsContact O-CB 3.31Å; L142-C145 WeakPolarHBondContact O-CB 3.4Å; L142-C145 PolarHBondContact O-N 3.48Å; L142-V190 HydrophobicContact CD1-CB 3.99Å; L142-V190 HydrophobicContact CD1-CG1 3.66Å; L142-V190 HydrophobicContact CD2-CG1 4.27Å; L142-V190 HydrophobicContact CG-CG1 4.5Å; L142-Y192 HydrophobicContact CG-CG 4.44Å
143	P	83.6	Confident	78.5	Confident	15 Å²	15	43.2 Å²	43.2	10%	0.097	26%	0.261	C	S	.	.	H	α-helix	trans	-55.9	-29.5	-179.2	-28.2	36.2	0	0	0	113.7	Y85 C145 S146 Y192	Y85-P143 HydrophobicContact CD2-CB 4.49Å; Y85-P143 HydrophobicContact CE2-CB 3.49Å; Y85-P143 VanDerWaalsContact CE2-CB 3.49Å; Y85-P143 HydrophobicContact CE2-CG 4.32Å; Y85-P143 VanDerWaalsContact OH-CB 3.31Å; Y85-P143 WeakPolarHBondContact OH-CB 3.4Å; Y85-P143 PolarHBondContact OH-O 2.85Å; P143-C145 VanDerWaalsContact C-N 3.28Å; P143-C145 PolarHBondContact O-N 2.86Å; P143-S146 PolarHBondContact O-N 3.41Å; P143-Y192 HydrophobicContact CG-CD1 4.43Å; P143-Y192 HydrophobicContact CG-CE1 3.75Å; P143-Y192 HydrophobicContact CG-CE2 4.44Å
144	I	82.9	Confident	77.5	Confident	3 Å²	3	45 Å²	45	2%	0.015	28%	0.28	C	S	.	.	H	α-helix	trans	-66.7	-24.4	175.4	69.7	175.9	0	0	0	112.9	Y85 Y89 W127 L139 L142 S146 T147 E148	Y85-I144 HydrophobicContact CD1-CG2 4.46Å; Y85-I144 HydrophobicContact CE1-CG2 4.3Å; Y89-I144 HydrophobicContact CE2-CG2 3.94Å; W127-I144 HydrophobicContact CE3-CD1 4.44Å; W127-I144 HydrophobicContact CH2-CD1 3.43Å; W127-I144 VanDerWaalsContact CH2-CD1 3.43Å; W127-I144 HydrophobicContact CZ2-CD1 3.75Å; W127-I144 HydrophobicContact CZ3-CD1 3.78Å; L139-I144 HydrophobicContact CD1-CD1 4.49Å; L142-I144 HydrophobicContact CB-CG1 3.98Å; L142-I144 HydrophobicContact CD2-CD1 4.25Å; L142-I144 HydrophobicContact CD2-CG1 4.4Å; L142-I144 PolarHBondContact O-N 2.84Å; I144-S146 VanDerWaalsContact C-N 3.25Å; I144-S146 PolarHBondContact O-N 3.19Å; I144-T147 PolarHBondContact O-N 2.73Å; I144-T147 VanDerWaalsContact O-N 3.14Å; I144-T147 PolarHBondContact O-OG1 2.95Å; I144-E148 WeakPolarHBondContact O-CB 3.21Å; I144-E148 WeakPolarHBondContact O-CG 3.38Å; I144-E148 PolarHBondContact O-N 3.42Å; I144-E148 VanDerWaalsContact O-N 3.15Å
145	C	83.6	Confident	77.1	Confident	1 Å²	1	38.6 Å²	38.6	1%	0.007	24%	0.244	C	C	.	.	H	α-helix	trans	-64.5	-31.2	179.9	-70.1	0	0	0	0	112.6	L142 P143 T147 E148 A149 C157 E158	L142-C145 VanDerWaalsContact O-CB 3.31Å; L142-C145 WeakPolarHBondContact O-CB 3.4Å; L142-C145 PolarHBondContact O-N 3.48Å; P143-C145 VanDerWaalsContact C-N 3.28Å; P143-C145 PolarHBondContact O-N 2.86Å; C145-T147 VanDerWaalsContact C-N 3.32Å; C145-E148 PolarHBondContact O-N 2.85Å; C145-A149 PolarHBondContact O-N 3.32Å; C145-A149 VanDerWaalsContact O-N 3.16Å; C145-C157 WeakPolarHBondContact CA-SG 3.48Å; C145-C157 HydrophobicContact CB-CB 3.82Å; C145-C157 WeakPolarHBondContact CB-SG 3.3Å; C145-C157 VanDerWaalsContact SG-CA 3.54Å; C145-C157 WeakPolarHBondContact SG-CB 3.41Å; C145-C157 CovalentContact SG-SG 2.04Å; C145-C157 PolarHBondContact SG-SG 3.36Å; C145-E158 VanDerWaalsContact CB-O 3.23Å; C145-E158 WeakPolarHBondContact CB-O 3.41Å; C145-E158 PolarHBondContact SG-O 3.13Å
146	S	71	Confident	76.9	Confident	59 Å²	59	40.6 Å²	40.6	41%	0.413	25%	0.251	S	S	.	.	H	α-helix	trans	-71.2	-29.6	177	-62	0	0	0	0	112.5	P143 I144 E148 Y160	P143-S146 PolarHBondContact O-N 3.41Å; I144-S146 VanDerWaalsContact C-N 3.25Å; I144-S146 PolarHBondContact O-N 3.19Å; S146-E148 VanDerWaalsContact C-N 3.32Å; S146-Y160 WeakPolarHBondContact OG-CB 3.37Å; S146-Y160 PolarHBondContact OG-N 3.33Å
147	T	62.8	Low	76.8	Confident	39 Å²	39	40.9 Å²	40.9	24%	0.239	25%	0.249	C	C	.	.	H	α-helix	trans	-78.9	-21.1	175.6	57.3	0	0	0	0	112.6	P118 I144 C145	P118-T147 HydrophobicContact CB-CG2 3.9Å; P118-T147 HydrophobicContact CG-CG2 3.54Å; I144-T147 PolarHBondContact O-N 2.73Å; I144-T147 VanDerWaalsContact O-N 3.14Å; I144-T147 PolarHBondContact O-OG1 2.95Å; C145-T147 VanDerWaalsContact C-N 3.32Å
148	E	58.4	Low	76.7	Confident	16 Å²	16	42.9 Å²	42.9	8%	0.075	26%	0.259	C	S	.	.	H	α-helix	trans	-93.3	-7	-179.8	-67.6	-65.1	154.6	0	0	113.2	R120 I144 C145 S146 G150 T151 N153	R120-E148 WeakPolarHBondContact CD-OE1 3.43Å; R120-E148 WeakPolarHBondContact CG-OE1 3.42Å; R120-E148 IonicContact CZ-OE1 2.68Å; R120-E148 IonicContact CZ-OE2 2.89Å; R120-E148 IonicContact NE-OE1 3.17Å; R120-E148 IonicContact NH1-OE1 3.8Å; R120-E148 IonicContact NH1-OE2 2.85Å; R120-E148 PolarHBondContact NH1-OE2 3.02Å; I144-E148 WeakPolarHBondContact O-CB 3.21Å; I144-E148 WeakPolarHBondContact O-CG 3.38Å; I144-E148 PolarHBondContact O-N 3.42Å; I144-E148 VanDerWaalsContact O-N 3.15Å; C145-E148 PolarHBondContact O-N 2.85Å; S146-E148 VanDerWaalsContact C-N 3.32Å; E148-G150 PolarHBondContact O-N 2.92Å; E148-T151 PolarHBondContact O-N 3.43Å; E148-T151 PolarHBondContact O-OG1 2.94Å; E148-T151 VanDerWaalsContact O-OG1 3.07Å; E148-T151 PolarHBondContact OE2-OG1 2.85Å; E148-N153 WeakPolarHBondContact CB-ND2 3.44Å; E148-N153 PolarHBondContact OE2-ND2 3.3Å
149	A	50.5	Low	76.3	Confident	66 Å²	66	44.9 Å²	44.9	55%	0.545	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	109.5	178.3	0	0	0	0	0	110.7	C145	C145-A149 PolarHBondContact O-N 3.32Å; C145-A149 VanDerWaalsContact O-N 3.16Å
150	G	48.7	Very low	75.9	Confident	80 Å²	80	47 Å²	47	83%	0.825	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	109.3	1.4	175.9	0	0	0	0	0	116	E148	E148-G150 PolarHBondContact O-N 2.92Å
151	T	53.8	Low	75.5	Confident	66 Å²	66	48.6 Å²	48.6	41%	0.405	29%	0.294	S	S	.	.	S	Bend	trans	-87.2	143.1	159.9	49.5	0	0	0	0	108.4	E148 N153	E148-T151 PolarHBondContact O-N 3.43Å; E148-T151 PolarHBondContact O-OG1 2.94Å; E148-T151 VanDerWaalsContact O-OG1 3.07Å; E148-T151 PolarHBondContact OE2-OG1 2.85Å; T151-N153 WeakPolarHBondContact CB-OD1 3.26Å; T151-N153 PolarHBondContact O-N 2.76Å; T151-N153 PolarHBondContact OG1-ND2 3.43Å; T151-N153 PolarHBondContact OG1-OD1 3.12Å
152	E	52.1	Low	75.2	Confident	200 Å²	200	50.8 Å²	50.8	94%	0.935	30%	0.304	S	S	*	.			trans	-67.2	62.4	168.6	-76.7	-176.1	161.1	0	0	109.6	S154	E152-S154 PolarHBondContact O-N 3.36Å
153	N	59.3	Low	75.1	Confident	37 Å²	37	58.6 Å²	58.6	20%	0.198	34%	0.341	C	S	.	.			trans	-68.6	129	174.6	-73.7	-13.7	0	0	0	107.7	R120 E148 T151 W155	R120-N153 PolarHBondContact NH1-OD1 2.61Å; E148-N153 WeakPolarHBondContact CB-ND2 3.44Å; E148-N153 PolarHBondContact OE2-ND2 3.3Å; T151-N153 WeakPolarHBondContact CB-OD1 3.26Å; T151-N153 PolarHBondContact O-N 2.76Å; T151-N153 PolarHBondContact OG1-ND2 3.43Å; T151-N153 PolarHBondContact OG1-OD1 3.12Å; N153-W155 HydrophobicContact CB-CD2 4.09Å; N153-W155 HydrophobicContact CB-CE3 4.2Å; N153-W155 HydrophobicContact CB-CH2 3.71Å; N153-W155 HydrophobicContact CB-CZ2 3.75Å; N153-W155 HydrophobicContact CB-CZ3 4Å; N153-W155 VanDerWaalsContact ND2-CZ2 3.3Å; N153-W155 WeakPolarHBondContact ND2-CZ2 3.46Å; N153-W155 PolarHBondContact O-N 3.44Å; N153-W155 VanDerWaalsContact OD1-CH2 3.31Å; N153-W155 WeakPolarHBondContact OD1-CH2 3.4Å
154	S	73.2	Confident	75.5	Confident	95 Å²	95	59.5 Å²	59.5	66%	0.664	35%	0.346	S	S	*	.	S	Bend	trans	-76.4	-3.4	-178.6	-46.1	0	0	0	0	112.9	V131 E152	V131-S154 WeakPolarHBondContact CG2-O 3.36Å; E152-S154 PolarHBondContact O-N 3.36Å
155	W	84.1	Confident	75.9	Confident	23 Å²	23	59.6 Å²	59.6	9%	0.087	35%	0.346	C	S	.	.	S	Bend	trans	-110.7	154.3	171.8	63.7	94	0	0	0	110.9	W127 E128 V131 V137 N153	W127-W155 HydrophobicContact CB-CD2 4.05Å; W127-W155 HydrophobicContact CB-CG 3.92Å; W127-W155 AromaticContact CD1-CE2 3.58Å; W127-W155 AromaticContact CD1-CZ2 3.72Å; W127-W155 AromaticContact CD1-NE1 3.91Å; W127-W155 HydrophobicContact CG-CD2 4.36Å; E128-W155 HydrophobicContact CG-CE3 4.44Å; E128-W155 HydrophobicContact CG-CH2 4.03Å; E128-W155 HydrophobicContact CG-CZ3 3.79Å; V131-W155 HydrophobicContact CG2-CB 3.79Å; V131-W155 HydrophobicContact CG2-CE3 4.2Å; V137-W155 HydrophobicContact CB-CB 4.04Å; V137-W155 WeakPolarHBondContact O-CB 3.44Å; N153-W155 HydrophobicContact CB-CD2 4.09Å; N153-W155 HydrophobicContact CB-CE3 4.2Å; N153-W155 HydrophobicContact CB-CH2 3.71Å; N153-W155 HydrophobicContact CB-CZ2 3.75Å; N153-W155 HydrophobicContact CB-CZ3 4Å; N153-W155 VanDerWaalsContact ND2-CZ2 3.3Å; N153-W155 WeakPolarHBondContact ND2-CZ2 3.46Å; N153-W155 PolarHBondContact O-N 3.44Å; N153-W155 VanDerWaalsContact OD1-CH2 3.31Å; N153-W155 WeakPolarHBondContact OD1-CH2 3.4Å
156	Y	91.3	Very high	76.5	Confident	89 Å²	89	61.8 Å²	61.8	35%	0.349	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	127.4	177.9	178.8	-98.5	0	0	0	110.2	V137 H138 L139 Y140 E158 K176	V137-Y156 PolarHBondContact O-N 3.3Å; H138-Y156 CarbonylContact C-O 3.46Å; H138-Y156 WeakPolarHBondContact CA-O 3.35Å; H138-Y156 HydrophobicContact CB-CD1 4.03Å; H138-Y156 AromaticContact CG-CD1 3.91Å; H138-Y156 AromaticContact ND1-CD1 3.82Å; L139-Y156 PolarHBondContact N-O 2.98Å; Y140-Y156 HydrophobicContact CD1-CE1 4.09Å; Y140-Y156 HydrophobicContact CE1-CD1 4.29Å; Y140-Y156 AromaticContact CE1-CE1 3.55Å; Y140-Y156 HydrophobicContact CE1-CE1 3.55Å; Y156-E158 HydrophobicContact CE1-CB 3.85Å; Y156-E158 PolarHBondContact OH-OE2 3.2Å; Y156-K176 PolarHBondContact OH-NZ 2.89Å
157	C	90.9	Very high	77.5	Confident	27 Å²	27	60.5 Å²	60.5	18%	0.182	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	101.9	175.5	-140.6	0	0	0	0	108.6	L139 C145	L139-C157 CarbonylContact O-C 3.54Å; L139-C157 WeakPolarHBondContact O-CA 3.41Å; C145-C157 WeakPolarHBondContact CA-SG 3.48Å; C145-C157 HydrophobicContact CB-CB 3.82Å; C145-C157 WeakPolarHBondContact CB-SG 3.3Å; C145-C157 VanDerWaalsContact SG-CA 3.54Å; C145-C157 WeakPolarHBondContact SG-CB 3.41Å; C145-C157 CovalentContact SG-SG 2.04Å; C145-C157 PolarHBondContact SG-SG 3.36Å
158	E	92.2	Very high	78.9	Confident	45 Å²	45	65.7 Å²	65.7	21%	0.21	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	126.1	174.1	-172.6	166.9	167.3	0	0	109.6	L139 Y140 H141 C145 Y156 K176	L139-E158 PolarHBondContact O-N 3.49Å; Y140-E158 HydrophobicContact CD1-CB 4.2Å; Y140-E158 VanDerWaalsContact CD1-OE2 3.22Å; Y140-E158 WeakPolarHBondContact CD1-OE2 3.35Å; H141-E158 VanDerWaalsContact CE1-CD 3.5Å; H141-E158 IonicContact CE1-OE1 3.76Å; H141-E158 PolarHBondContact CE1-OE1 2.83Å; H141-E158 PolarHBondContact N-O 2.84Å; H141-E158 VanDerWaalsContact N-O 3.07Å; H141-E158 IonicContact NE2-OE1 3.09Å; C145-E158 VanDerWaalsContact CB-O 3.23Å; C145-E158 WeakPolarHBondContact CB-O 3.41Å; C145-E158 PolarHBondContact SG-O 3.13Å; Y156-E158 HydrophobicContact CE1-CB 3.85Å; Y156-E158 PolarHBondContact OH-OE2 3.2Å; E158-K176 IonicContact OE1-NZ 2.74Å; E158-K176 IonicContact OE2-NZ 3.5Å; E158-K176 PolarHBondContact OE2-NZ 3.04Å
159	P	89.3	Confident	80.7	Confident	71 Å²	71	68.7 Å²	68.7	46%	0.461	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-54.4	148.8	-178.3	-26.8	34.7	0	0	0	113.1	H141 S161	H141-P159 PolarHBondContact ND1-O 2.74Å; P159-S161 PolarHBondContact O-N 2.88Å
160	Y	87.5	Confident	82.9	Confident	44 Å²	44	65.8 Å²	65.8	17%	0.173	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-62.6	135.3	171.5	169.3	-84	0	0	0	109.9	H141 S146 Q162 M165 Y192 D194 H347	H141-Y160 WeakPolarHBondContact O-CD2 3.19Å; S146-Y160 WeakPolarHBondContact OG-CB 3.37Å; S146-Y160 PolarHBondContact OG-N 3.33Å; Y160-Q162 HydrophobicContact CE1-CB 4.2Å; Y160-Q162 VanDerWaalsContact OH-CD 3.25Å; Y160-Q162 PolarHBondContact OH-OE1 3.19Å; Y160-M165 HydrophobicContact CD2-CE 3.73Å; Y160-M165 HydrophobicContact CE2-CE 3.62Å; Y160-Y192 HydrophobicContact CD2-CE1 4.21Å; Y160-Y192 HydrophobicContact CE2-CE1 4.14Å; Y160-D194 WeakPolarHBondContact CE2-OD2 3.47Å; Y160-D194 VanDerWaalsContact CZ-OD2 3.29Å; Y160-D194 PolarHBondContact OH-OD2 2.91Å; Y160-H347 AromaticContact CE1-CE1 3.96Å; Y160-H347 AromaticContact CZ-CE1 3.88Å; Y160-H347 PolarHBondContact OH-CE1 3.46Å; Y160-H347 PolarHBondContact OH-NE2 2.74Å
161	S	86.6	Confident	85.2	Confident	39 Å²	39	64 Å²	64	27%	0.273	33%	0.333	S	S	.	.			trans	-139.7	127	170	172.6	0	0	0	0	109.9	P159 E163 V164 M165	P159-S161 PolarHBondContact O-N 2.88Å; S161-E163 PolarHBondContact O-N 3.04Å; S161-E163 PolarHBondContact OG-N 2.96Å; S161-V164 WeakPolarHBondContact O-CG2 3.45Å; S161-M165 WeakPolarHBondContact O-CG 3.25Å
162	Q	86.2	Confident	87.3	Confident	51 Å²	51	63.7 Å²	63.7	24%	0.238	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-68.4	-26.6	178.5	-176	68.3	104.1	0	0	112.2	Y160 V164 M165 D194	Y160-Q162 HydrophobicContact CE1-CB 4.2Å; Y160-Q162 VanDerWaalsContact OH-CD 3.25Å; Y160-Q162 PolarHBondContact OH-OE1 3.19Å; Q162-V164 PolarHBondContact O-N 2.84Å; Q162-M165 VanDerWaalsContact NE2-CB 3.31Å; Q162-M165 WeakPolarHBondContact O-CB 3.48Å; Q162-M165 PolarHBondContact O-N 2.9Å; Q162-M165 VanDerWaalsContact O-N 3.17Å; Q162-D194 PolarHBondContact NE2-OD1 3.31Å
163	E	88.9	Confident	89.4	Confident	164 Å²	164	54.8 Å²	54.8	77%	0.766	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-66.5	-24.1	-177.1	-61.6	-178.1	170.4	0	0	112.8	S161 N166 H169	S161-E163 PolarHBondContact O-N 3.04Å; S161-E163 PolarHBondContact OG-N 2.96Å; E163-N166 PolarHBondContact O-ND2 2.91Å; E163-H169 PolarHBondContact O-ND1 3.37Å; E163-H169 VanDerWaalsContact O-ND1 3.12Å
164	V	91.3	Very high	91.3	Very high	34 Å²	34	53 Å²	53	21%	0.206	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-93.1	-1.4	178.3	-59.1	0	0	0	0	113.7	S161 Q162 N166 H169	S161-V164 WeakPolarHBondContact O-CG2 3.45Å; Q162-V164 PolarHBondContact O-N 2.84Å; V164-N166 PolarHBondContact O-N 3.02Å; V164-H169 HydrophobicContact CB-CB 3.94Å; V164-H169 HydrophobicContact CG1-CB 4.44Å; V164-H169 WeakPolarHBondContact O-CB 3.34Å
165	M	93.1	Very high	92.5	Very high	5 Å²	5	51.3 Å²	51.3	3%	0.025	27%	0.268	C	S	.	.			trans	-84.3	66.9	179.8	-58.2	-61.3	177.2	0	0	110.8	H141 Y160 S161 Q162 Y192 Y193 D194	H141-M165 HydrophobicContact CB-CE 3.48Å; H141-M165 VanDerWaalsContact CB-CE 3.48Å; Y160-M165 HydrophobicContact CD2-CE 3.73Å; Y160-M165 HydrophobicContact CE2-CE 3.62Å; S161-M165 WeakPolarHBondContact O-CG 3.25Å; Q162-M165 VanDerWaalsContact NE2-CB 3.31Å; Q162-M165 WeakPolarHBondContact O-CB 3.48Å; Q162-M165 PolarHBondContact O-N 2.9Å; Q162-M165 VanDerWaalsContact O-N 3.17Å; M165-Y192 HydrophobicContact CE-CD1 4.03Å; M165-Y192 HydrophobicContact CE-CE1 4.39Å; M165-Y193 HydrophobicContact SD-CD2 4.24Å; M165-D194 WeakPolarHBondContact CB-OD1 3.35Å; M165-D194 WeakPolarHBondContact CG-OD1 3.38Å
166	N	94.7	Very high	93.1	Very high	47 Å²	47	54.1 Å²	54.1	25%	0.251	28%	0.281	S	S	.	.	S	Bend	trans	-147.9	161.5	170.9	69.6	71	0	0	0	110.4	E163 V164 M168 H169 L170	E163-N166 PolarHBondContact O-ND2 2.91Å; V164-N166 PolarHBondContact O-N 3.02Å; N166-M168 VanDerWaalsContact C-N 3.29Å; N166-M168 PolarHBondContact O-N 2.81Å; N166-M168 WeakPolarHBondContact OD1-CB 3.31Å; N166-M168 PolarHBondContact OD1-N 3.35Å; N166-H169 PolarHBondContact ND2-ND1 3.45Å; N166-H169 PolarHBondContact O-N 2.98Å; N166-H169 PolarHBondContact OD1-N 3.29Å; N166-L170 WeakPolarHBondContact O-CB 3.33Å; N166-L170 PolarHBondContact O-N 3.03Å
167	P	92.6	Very high	93.4	Very high	32 Å²	32	49.9 Å²	49.9	21%	0.208	26%	0.264	C	S	.	.	H	α-helix	trans	-58.7	-32.9	-174.1	-28.6	36.6	0	0	0	115.4	N171 Y217 V221	P167-N171 PolarHBondContact O-N 2.86Å; P167-Y217 HydrophobicContact CG-CG 4.24Å; P167-V221 HydrophobicContact CB-CG2 3.98Å
168	M	92.5	Very high	93.7	Very high	149 Å²	149	48.6 Å²	48.6	73%	0.734	26%	0.256	S	S	*	.	H	α-helix	trans	-70.8	-48.1	-179.4	178.9	179.2	171.2	0	0	111.3	N166 L170 N171 A172	N166-M168 VanDerWaalsContact C-N 3.29Å; N166-M168 PolarHBondContact O-N 2.81Å; N166-M168 WeakPolarHBondContact OD1-CB 3.31Å; N166-M168 PolarHBondContact OD1-N 3.35Å; M168-L170 VanDerWaalsContact C-N 3.32Å; M168-N171 PolarHBondContact O-N 3.4Å; M168-A172 PolarHBondContact O-N 3.31Å
169	H	96.2	Very high	94	Very high	78 Å²	78	49.9 Å²	49.9	36%	0.361	26%	0.264	S	S	.	.	H	α-helix	trans	-68.3	-33.5	176.2	-69.9	151.6	0	0	0	111.6	E163 V164 N166 N171 A172 T173	E163-H169 PolarHBondContact O-ND1 3.37Å; E163-H169 VanDerWaalsContact O-ND1 3.12Å; V164-H169 HydrophobicContact CB-CB 3.94Å; V164-H169 HydrophobicContact CG1-CB 4.44Å; V164-H169 WeakPolarHBondContact O-CB 3.34Å; N166-H169 PolarHBondContact ND2-ND1 3.45Å; N166-H169 PolarHBondContact O-N 2.98Å; N166-H169 PolarHBondContact OD1-N 3.29Å; H169-N171 VanDerWaalsContact C-N 3.32Å; H169-N171 PolarHBondContact O-N 3.46Å; H169-A172 WeakPolarHBondContact O-CA 3.38Å; H169-A172 WeakPolarHBondContact O-CB 3.44Å; H169-A172 PolarHBondContact O-N 2.61Å; H169-T173 PolarHBondContact O-N 3.17Å; H169-T173 PolarHBondContact O-OG1 3.09Å
170	L	97.2	Very high	94.3	Very high	6 Å²	6	46.7 Å²	46.7	3%	0.031	24%	0.244	C	C	.	.	H	α-helix	trans	-57.8	-42.9	173.6	-178.8	56.2	0	0	0	112.1	N166 M168 A172 T173 I174 V191 Y193 L218 V221	N166-L170 WeakPolarHBondContact O-CB 3.33Å; N166-L170 PolarHBondContact O-N 3.03Å; M168-L170 VanDerWaalsContact C-N 3.32Å; L170-A172 VanDerWaalsContact C-N 3.32Å; L170-A172 PolarHBondContact O-N 2.97Å; L170-T173 PolarHBondContact O-N 3.38Å; L170-I174 HydrophobicContact CD1-CD1 4.07Å; L170-I174 HydrophobicContact CD1-CG1 4.2Å; L170-I174 HydrophobicContact CG-CD1 3.95Å; L170-I174 WeakPolarHBondContact O-CB 3.49Å; L170-I174 VanDerWaalsContact O-CG1 3.25Å; L170-I174 WeakPolarHBondContact O-CG1 3.46Å; L170-I174 PolarHBondContact O-N 3.04Å; L170-V191 HydrophobicContact CD1-CG1 3.63Å; L170-Y193 HydrophobicContact CB-CD2 4.16Å; L170-Y193 HydrophobicContact CB-CE2 4.15Å; L170-Y193 HydrophobicContact CD1-CD2 4.11Å; L170-Y193 HydrophobicContact CD1-CG 4.41Å; L170-Y193 HydrophobicContact CD2-CD1 4.23Å; L170-Y193 HydrophobicContact CD2-CD2 3.64Å; L170-Y193 HydrophobicContact CD2-CE1 4.41Å; L170-Y193 HydrophobicContact CD2-CE2 3.83Å; L170-Y193 HydrophobicContact CD2-CG 3.81Å; L170-Y193 HydrophobicContact CG-CD2 4.18Å; L170-Y193 HydrophobicContact CG-CE2 4.49Å; L170-L218 HydrophobicContact CD2-CD2 4.04Å; L170-V221 HydrophobicContact CD2-CB 4.47Å; L170-V221 HydrophobicContact CD2-CG1 3.66Å; L170-V221 HydrophobicContact CD2-CG2 4.36Å; L170-V221 HydrophobicContact CG-CG1 3.79Å
171	N	96.8	Very high	94.8	Very high	43 Å²	43	44.6 Å²	44.6	23%	0.23	24%	0.235	C	C	.	.	H	α-helix	trans	-59.6	-41.5	173.2	-79.6	-15.2	0	0	0	112.5	P167 M168 H169 I174 Q175 V221 Y224	P167-N171 PolarHBondContact O-N 2.86Å; M168-N171 PolarHBondContact O-N 3.4Å; H169-N171 VanDerWaalsContact C-N 3.32Å; H169-N171 PolarHBondContact O-N 3.46Å; N171-I174 PolarHBondContact O-N 3.12Å; N171-Q175 PolarHBondContact O-N 2.89Å; N171-V221 WeakPolarHBondContact OD1-CA 3.33Å; N171-V221 WeakPolarHBondContact OD1-CG1 3.46Å; N171-Y224 HydrophobicContact CB-CD1 3.98Å; N171-Y224 HydrophobicContact CB-CE1 3.82Å; N171-Y224 WeakPolarHBondContact O-CE1 3.46Å; N171-Y224 VanDerWaalsContact OD1-CD1 3.3Å; N171-Y224 WeakPolarHBondContact OD1-CD1 3.37Å
172	A	97	Very high	95.2	Very high	59 Å²	59	48.8 Å²	48.8	49%	0.488	25%	0.249	S	C	.	.	H	α-helix	trans	-66	-42.1	177.9	0	0	0	0	0	111.9	M168 H169 L170 Q175 K176	M168-A172 PolarHBondContact O-N 3.31Å; H169-A172 WeakPolarHBondContact O-CA 3.38Å; H169-A172 WeakPolarHBondContact O-CB 3.44Å; H169-A172 PolarHBondContact O-N 2.61Å; L170-A172 VanDerWaalsContact C-N 3.32Å; L170-A172 PolarHBondContact O-N 2.97Å; A172-Q175 PolarHBondContact O-N 2.92Å; A172-K176 PolarHBondContact O-N 2.83Å
173	T	97.5	Very high	95.6	Very high	13 Å²	13	51.9 Å²	51.9	8%	0.08	27%	0.267	C	S	.	.	H	α-helix	trans	-65.4	-40.7	175.8	-56.1	0	0	0	0	111.4	Y140 H141 H169 L170 K176 A177 V191	Y140-T173 HydrophobicContact CD1-CG2 4.05Å; Y140-T173 HydrophobicContact CG-CG2 3.88Å; H141-T173 PolarHBondContact NE2-OG1 3.21Å; H169-T173 PolarHBondContact O-N 3.17Å; H169-T173 PolarHBondContact O-OG1 3.09Å; L170-T173 PolarHBondContact O-N 3.38Å; T173-K176 PolarHBondContact O-N 3.39Å; T173-A177 WeakPolarHBondContact O-CB 3.11Å; T173-A177 PolarHBondContact O-N 3.37Å; T173-V191 HydrophobicContact CG2-CG1 3.75Å; T173-V191 HydrophobicContact CG2-CG2 4.19Å
174	I	98	Very high	95.7	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-60.4	-46.2	173.3	-71.7	168.2	0	0	0	110.6	L38 L40 L170 N171 K176 A177 V178 V191 V221 A225	L38-I174 HydrophobicContact CD2-CG2 4.33Å; L40-I174 HydrophobicContact CD1-CD1 4.38Å; L40-I174 HydrophobicContact CD2-CD1 4.07Å; L40-I174 HydrophobicContact CD2-CG1 3.9Å; L170-I174 HydrophobicContact CD1-CD1 4.07Å; L170-I174 HydrophobicContact CD1-CG1 4.2Å; L170-I174 HydrophobicContact CG-CD1 3.95Å; L170-I174 WeakPolarHBondContact O-CB 3.49Å; L170-I174 VanDerWaalsContact O-CG1 3.25Å; L170-I174 WeakPolarHBondContact O-CG1 3.46Å; L170-I174 PolarHBondContact O-N 3.04Å; N171-I174 PolarHBondContact O-N 3.12Å; I174-K176 VanDerWaalsContact C-N 3.35Å; I174-K176 PolarHBondContact O-N 3.46Å; I174-A177 PolarHBondContact O-N 3.1Å; I174-V178 HydrophobicContact CG2-CG2 4.31Å; I174-V178 WeakPolarHBondContact O-CB 3.48Å; I174-V178 VanDerWaalsContact O-CG2 3.29Å; I174-V178 WeakPolarHBondContact O-CG2 3.43Å; I174-V178 PolarHBondContact O-N 3.29Å; I174-V191 HydrophobicContact CG1-CG1 4.32Å; I174-V221 HydrophobicContact CD1-CG1 3.5Å; I174-A225 HydrophobicContact CD1-CB 4.31Å; I174-A225 HydrophobicContact CG2-CB 3.99Å
175	Q	97.6	Very high	95.9	Very high	59 Å²	59	47.2 Å²	47.2	28%	0.276	26%	0.262	S	S	.	.	H	α-helix	trans	-57.9	-48.3	176.8	-176.7	60.9	57	0	0	111.2	N171 A172 A177 V178 D179 Y224 I228	N171-Q175 PolarHBondContact O-N 2.89Å; A172-Q175 PolarHBondContact O-N 2.92Å; Q175-A177 PolarHBondContact O-N 3.31Å; Q175-V178 PolarHBondContact O-N 3.19Å; Q175-D179 PolarHBondContact NE2-OD1 2.91Å; Q175-D179 PolarHBondContact O-N 3.28Å; Q175-Y224 PolarHBondContact OE1-OH 3.11Å; Q175-Y224 VanDerWaalsContact OE1-OH 3.12Å; Q175-I228 VanDerWaalsContact OE1-CD1 3.25Å
176	K	97.3	Very high	96	Very high	82 Å²	82	47 Å²	47	36%	0.357	26%	0.26	S	S	.	.	H	α-helix	trans	-59.7	-43.9	177.9	-174.7	-178.7	178.4	-170.8	0	112.4	Y140 Y156 E158 A172 T173 I174 D179 G180	Y140-K176 HydrophobicContact CD1-CD 4.39Å; Y140-K176 HydrophobicContact CE1-CD 3.72Å; Y140-K176 HydrophobicContact CE1-CG 3.92Å; Y156-K176 PolarHBondContact OH-NZ 2.89Å; E158-K176 IonicContact OE1-NZ 2.74Å; E158-K176 IonicContact OE2-NZ 3.5Å; E158-K176 PolarHBondContact OE2-NZ 3.04Å; A172-K176 PolarHBondContact O-N 2.83Å; T173-K176 PolarHBondContact O-N 3.39Å; I174-K176 VanDerWaalsContact C-N 3.35Å; I174-K176 PolarHBondContact O-N 3.46Å; K176-D179 PolarHBondContact O-N 2.94Å; K176-G180 PolarHBondContact O-N 2.78Å
177	A	98.1	Very high	96	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-61.5	-45.4	176	0	0	0	0	0	111.7	L38 Y140 T173 I174 Q175 G180 L181 A189 V191	L38-A177 HydrophobicContact CD1-CB 3.92Å; Y140-A177 HydrophobicContact CD2-CB 3.87Å; Y140-A177 HydrophobicContact CE2-CB 3.48Å; Y140-A177 VanDerWaalsContact CE2-CB 3.48Å; T173-A177 WeakPolarHBondContact O-CB 3.11Å; T173-A177 PolarHBondContact O-N 3.37Å; I174-A177 PolarHBondContact O-N 3.1Å; Q175-A177 PolarHBondContact O-N 3.31Å; A177-G180 PolarHBondContact O-N 2.78Å; A177-L181 WeakPolarHBondContact O-CG 3.49Å; A177-L181 PolarHBondContact O-N 2.97Å; A177-A189 HydrophobicContact CB-CB 3.98Å; A177-V191 HydrophobicContact CB-CG2 3.58Å
178	V	98.1	Very high	96.3	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-65.8	-37.1	177.4	174.7	0	0	0	0	111.9	L38 I174 Q175 G180 L181 K182 I228 I229 I232 L235	L38-V178 HydrophobicContact CD2-CG2 3.9Å; I174-V178 HydrophobicContact CG2-CG2 4.31Å; I174-V178 WeakPolarHBondContact O-CB 3.48Å; I174-V178 VanDerWaalsContact O-CG2 3.29Å; I174-V178 WeakPolarHBondContact O-CG2 3.43Å; I174-V178 PolarHBondContact O-N 3.29Å; Q175-V178 PolarHBondContact O-N 3.19Å; V178-G180 VanDerWaalsContact C-N 3.34Å; V178-G180 PolarHBondContact O-N 2.81Å; V178-L181 PolarHBondContact O-N 3.41Å; V178-K182 WeakPolarHBondContact O-CB 3.22Å; V178-K182 PolarHBondContact O-N 3.04Å; V178-I228 HydrophobicContact CB-CG2 4.19Å; V178-I228 HydrophobicContact CG1-CG2 3.54Å; V178-I228 HydrophobicContact CG2-CG2 4.31Å; V178-I229 HydrophobicContact CG2-CG2 4.09Å; V178-I232 HydrophobicContact CG1-CD1 3.18Å; V178-L235 HydrophobicContact CG1-CD2 4.28Å
179	D	97.2	Very high	96.5	Very high	71 Å²	71	37 Å²	37	38%	0.38	21%	0.208	S	C	.	.	H	α-helix	trans	-61.2	-43.5	176.9	-69.7	-25.5	0	0	0	111.5	Q175 K176 K182 N183	Q175-D179 PolarHBondContact NE2-OD1 2.91Å; Q175-D179 PolarHBondContact O-N 3.28Å; K176-D179 PolarHBondContact O-N 2.94Å; D179-K182 PolarHBondContact O-N 3.34Å; D179-N183 WeakPolarHBondContact O-CB 3.07Å; D179-N183 PolarHBondContact O-N 3.33Å; D179-N183 PolarHBondContact O-ND2 3.2Å; D179-N183 PolarHBondContact O-OD1 3.39Å
180	G	96.3	Very high	96.6	Very high	4 Å²	4	33.3 Å²	33.3	4%	0.041	19%	0.191	C	C	.	.	H	α-helix	trans	-65	-38.1	174.1	0	0	0	0	0	113.3	K176 A177 V178 N183 G184 S185 A186	K176-G180 PolarHBondContact O-N 2.78Å; A177-G180 PolarHBondContact O-N 2.78Å; V178-G180 VanDerWaalsContact C-N 3.34Å; V178-G180 PolarHBondContact O-N 2.81Å; G180-N183 PolarHBondContact O-OD1 2.82Å; G180-G184 PolarHBondContact O-N 2.77Å; G180-S185 VanDerWaalsContact CA-OG 3.3Å; G180-S185 WeakPolarHBondContact CA-OG 3.45Å; G180-S185 PolarHBondContact O-N 2.87Å; G180-S185 PolarHBondContact O-OG 2.81Å; G180-A186 PolarHBondContact O-N 3.18Å
181	L	97.2	Very high	96.7	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-64.9	-48.5	172.8	-70.3	162	0	0	0	110.3	R36 L38 A177 V178 N183 G184 A186 A189 L235	R36-L181 HydrophobicContact CB-CD2 3.98Å; R36-L181 WeakPolarHBondContact CD-O 3.18Å; R36-L181 PolarHBondContact NH1-O 2.87Å; L38-L181 HydrophobicContact CB-CD1 3.82Å; L38-L181 HydrophobicContact CD1-CD1 4.36Å; A177-L181 WeakPolarHBondContact O-CG 3.49Å; A177-L181 PolarHBondContact O-N 2.97Å; V178-L181 PolarHBondContact O-N 3.41Å; L181-N183 PolarHBondContact O-N 3.26Å; L181-G184 PolarHBondContact O-N 2.87Å; L181-A186 HydrophobicContact CD2-CB 3.97Å; L181-A186 HydrophobicContact CG-CB 4.29Å; L181-A189 HydrophobicContact CD1-CB 3.65Å; L181-A189 HydrophobicContact CD2-CB 4.09Å; L181-A189 HydrophobicContact CG-CB 3.84Å; L181-L235 HydrophobicContact CB-CD1 4.35Å; L181-L235 HydrophobicContact CD1-CD1 3.81Å; L181-L235 HydrophobicContact CG-CD1 4.49Å
182	K	95.7	Very high	96.7	Very high	128 Å²	128	31.5 Å²	31.5	56%	0.557	18%	0.181	S	C	*	.	H	α-helix	trans	-61.2	-44.4	-175.8	-175.8	177.8	176.4	179	0	112.4	R36 V178 D179 G184 I232	R36-K182 PolarHBondContact NH1-O 3.28Å; R36-K182 VanDerWaalsContact NH1-O 3.12Å; V178-K182 WeakPolarHBondContact O-CB 3.22Å; V178-K182 PolarHBondContact O-N 3.04Å; D179-K182 PolarHBondContact O-N 3.34Å; K182-G184 VanDerWaalsContact C-N 3.28Å; K182-G184 PolarHBondContact O-N 2.68Å; K182-I232 HydrophobicContact CB-CD1 4.2Å; K182-I232 HydrophobicContact CD-CD1 4.15Å; K182-I232 HydrophobicContact CD-CG1 4.42Å; K182-I232 HydrophobicContact CG-CD1 4.33Å
183	N	94.5	Very high	96.7	Very high	115 Å²	115	28.7 Å²	28.7	62%	0.615	16%	0.158	S	C	*	.	H	α-helix	trans	-80.7	-6.2	-178.9	73	21.7	0	0	0	113.8	D179 G180 L181 S185	D179-N183 WeakPolarHBondContact O-CB 3.07Å; D179-N183 PolarHBondContact O-N 3.33Å; D179-N183 PolarHBondContact O-ND2 3.2Å; D179-N183 PolarHBondContact O-OD1 3.39Å; G180-N183 PolarHBondContact O-OD1 2.82Å; L181-N183 PolarHBondContact O-N 3.26Å; N183-S185 WeakPolarHBondContact OD1-CB 3.18Å; N183-S185 PolarHBondContact OD1-N 3.26Å; N183-S185 PolarHBondContact OD1-OG 2.66Å
184	G	91.8	Very high	96.6	Very high	49 Å²	49	28.2 Å²	28.2	51%	0.505	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.5	4.6	177.7	0	0	0	0	0	114.9	G180 L181 K182 A186	G180-G184 PolarHBondContact O-N 2.77Å; L181-G184 PolarHBondContact O-N 2.87Å; K182-G184 VanDerWaalsContact C-N 3.28Å; K182-G184 PolarHBondContact O-N 2.68Å; G184-A186 PolarHBondContact O-N 3.08Å
185	S	93.7	Very high	96.5	Very high	51 Å²	51	29.6 Å²	29.6	36%	0.357	16%	0.161	S	C	.	.	S	Bend	trans	-69.4	-21.4	173.2	84.7	0	0	0	0	112.4	G136 H138 G180 N183	G136-S185 WeakPolarHBondContact CA-O 3.19Å; H138-S185 PolarHBondContact CE1-OG 3.11Å; H138-S185 PolarHBondContact NE2-O 3.37Å; H138-S185 PolarHBondContact NE2-OG 2.87Å; G180-S185 VanDerWaalsContact CA-OG 3.3Å; G180-S185 WeakPolarHBondContact CA-OG 3.45Å; G180-S185 PolarHBondContact O-N 2.87Å; G180-S185 PolarHBondContact O-OG 2.81Å; N183-S185 WeakPolarHBondContact OD1-CB 3.18Å; N183-S185 PolarHBondContact OD1-N 3.26Å; N183-S185 PolarHBondContact OD1-OG 2.66Å
186	A	95.3	Very high	96.5	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.15	C	C	.	.			trans	-129.4	143	174.9	0	0	0	0	0	111.9	G136 H138 G180 L181 G184	G136-A186 CarbonylContact O-C 3.59Å; G136-A186 WeakPolarHBondContact O-CA 3.48Å; H138-A186 HydrophobicContact CB-CB 4.23Å; G180-A186 PolarHBondContact O-N 3.18Å; L181-A186 HydrophobicContact CD2-CB 3.97Å; L181-A186 HydrophobicContact CG-CB 4.29Å; G184-A186 PolarHBondContact O-N 3.08Å
187	N	96.3	Very high	96.4	Very high	19 Å²	19	23.2 Å²	23.2	10%	0.102	13%	0.133	C	C	.	.	S	Bend	trans	-102.6	-31.3	163.4	-65.9	92.8	0	0	0	111.4	R36 L37 K135 G136	R36-N187 CarbonylContact C-O 3.51Å; R36-N187 VanDerWaalsContact CA-O 3.26Å; R36-N187 WeakPolarHBondContact CA-O 3.33Å; L37-N187 PolarHBondContact N-O 3.47Å; K135-N187 VanDerWaalsContact CA-OD1 3.27Å; K135-N187 WeakPolarHBondContact CA-OD1 3.34Å; K135-N187 HydrophobicContact CB-CB 4.01Å; K135-N187 HydrophobicContact CD-CB 4.14Å; K135-N187 VanDerWaalsContact CD-CG 3.45Å; K135-N187 WeakPolarHBondContact CD-OD1 3.38Å; G136-N187 PolarHBondContact N-OD1 2.77Å; G136-N187 VanDerWaalsContact N-OD1 3.1Å; G136-N187 PolarHBondContact O-N 2.85Å
188	L	97.8	Very high	96.3	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	123.5	173.1	174.7	61.1	0	0	0	108.8	L37 V39 L126 G136 V137 H138 V190 A402 I404	L37-L188 HydrophobicContact CB-CD1 4.11Å; L37-L188 HydrophobicContact CD2-CD1 3.94Å; L37-L188 HydrophobicContact CG-CD1 4.14Å; L37-L188 WeakPolarHBondContact O-CA 3.37Å; V39-L188 HydrophobicContact CG2-CD1 3.84Å; L126-L188 HydrophobicContact CB-CD2 3.96Å; L126-L188 HydrophobicContact CD1-CD2 4.38Å; G136-L188 PolarHBondContact O-N 3.2Å; V137-L188 WeakPolarHBondContact CA-O 3.43Å; V137-L188 HydrophobicContact CG1-CB 4.19Å; V137-L188 HydrophobicContact CG1-CD2 4.06Å; V137-L188 HydrophobicContact CG1-CG 4.17Å; V137-L188 HydrophobicContact CG2-CB 4.27Å; H138-L188 PolarHBondContact N-O 2.83Å; L188-V190 HydrophobicContact CD1-CG2 4.18Å; L188-V190 HydrophobicContact CG-CG2 4.18Å; L188-A402 HydrophobicContact CB-CB 4.16Å; L188-A402 HydrophobicContact CD1-CB 4.41Å; L188-I404 HydrophobicContact CB-CD1 4.17Å; L188-I404 HydrophobicContact CD2-CD1 4.19Å
189	A	98	Very high	96.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	132.6	166.8	0	0	0	0	0	110	L37 L38 V39 H138 Y140 A177 L181	L37-A189 PolarHBondContact O-N 2.95Å; L38-A189 CarbonylContact C-O 3.15Å; L38-A189 WeakPolarHBondContact CA-O 3.41Å; L38-A189 HydrophobicContact CD1-CB 4.25Å; V39-A189 PolarHBondContact N-O 2.98Å; H138-A189 HydrophobicContact CB-CB 4.43Å; H138-A189 CarbonylContact O-C 3.58Å; H138-A189 WeakPolarHBondContact O-CA 3.38Å; Y140-A189 HydrophobicContact CE2-CB 4.26Å; A177-A189 HydrophobicContact CB-CB 3.98Å; L181-A189 HydrophobicContact CD1-CB 3.65Å; L181-A189 HydrophobicContact CD2-CB 4.09Å; L181-A189 HydrophobicContact CG-CB 3.84Å
190	V	98.2	Very high	96.3	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	121	176.8	-169.4	0	0	0	0	108.5	V39 L41 F92 H138 L139 Y140 L142 L188	V39-V190 HydrophobicContact CB-CB 4.39Å; V39-V190 HydrophobicContact CB-CG1 4.05Å; V39-V190 HydrophobicContact CB-CG2 4.18Å; V39-V190 HydrophobicContact CG1-CG1 4.16Å; V39-V190 HydrophobicContact CG2-CG2 4.41Å; V39-V190 CarbonylContact O-C 3.46Å; V39-V190 WeakPolarHBondContact O-CA 2.91Å; L41-V190 HydrophobicContact CB-CG1 4.31Å; F92-V190 HydrophobicContact CE1-CG2 3.67Å; F92-V190 HydrophobicContact CZ-CB 4.38Å; F92-V190 HydrophobicContact CZ-CG1 3.79Å; F92-V190 HydrophobicContact CZ-CG2 3.68Å; H138-V190 PolarHBondContact O-N 2.69Å; L139-V190 HydrophobicContact CD2-CB 3.71Å; L139-V190 HydrophobicContact CD2-CG2 3.49Å; L139-V190 VanDerWaalsContact CD2-CG2 3.49Å; Y140-V190 PolarHBondContact N-O 3.23Å; L142-V190 HydrophobicContact CD1-CB 3.99Å; L142-V190 HydrophobicContact CD1-CG1 3.66Å; L142-V190 HydrophobicContact CD2-CG1 4.27Å; L142-V190 HydrophobicContact CG-CG1 4.5Å; L188-V190 HydrophobicContact CD1-CG2 4.18Å; L188-V190 HydrophobicContact CG-CG2 4.18Å
191	V	98.1	Very high	96.3	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.012	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	114.3	174.9	178.9	0	0	0	0	107.9	L38 V39 L40 L41 Y140 L170 T173 I174 A177	L38-V191 HydrophobicContact CD1-CG2 3.91Å; V39-V191 PolarHBondContact O-N 3.11Å; L40-V191 HydrophobicContact CD2-CB 3.98Å; L40-V191 HydrophobicContact CD2-CG2 4.46Å; L41-V191 PolarHBondContact N-O 3.46Å; Y140-V191 HydrophobicContact CD2-CG2 4.05Å; Y140-V191 HydrophobicContact CG-CG2 4.48Å; L170-V191 HydrophobicContact CD1-CG1 3.63Å; T173-V191 HydrophobicContact CG2-CG1 3.75Å; T173-V191 HydrophobicContact CG2-CG2 4.19Å; I174-V191 HydrophobicContact CG1-CG1 4.32Å; A177-V191 HydrophobicContact CB-CG2 3.58Å
192	Y	97.3	Very high	96.3	Very high	9 Å²	9	27 Å²	27	4%	0.035	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	144	177.9	172.9	-98.3	0	0	0	111.5	L41 D43 I88 Y140 H141 L142 P143 Y160 M165 D194	L41-Y192 HydrophobicContact CB-CD2 4.47Å; L41-Y192 HydrophobicContact CD2-CD2 4.04Å; L41-Y192 HydrophobicContact CG-CD2 4.2Å; L41-Y192 WeakPolarHBondContact O-CA 3.39Å; D43-Y192 HydrophobicContact CB-CE2 3.77Å; D43-Y192 WeakPolarHBondContact OD2-CE2 3.46Å; D43-Y192 VanDerWaalsContact OD2-CZ 3.32Å; D43-Y192 PolarHBondContact OD2-OH 3.47Å; I88-Y192 HydrophobicContact CD1-CE2 4.39Å; Y140-Y192 PolarHBondContact O-N 3.44Å; Y140-Y192 VanDerWaalsContact O-N 3.1Å; H141-Y192 WeakPolarHBondContact O-CD1 3.4Å; L142-Y192 HydrophobicContact CG-CG 4.44Å; P143-Y192 HydrophobicContact CG-CD1 4.43Å; P143-Y192 HydrophobicContact CG-CE1 3.75Å; P143-Y192 HydrophobicContact CG-CE2 4.44Å; Y160-Y192 HydrophobicContact CD2-CE1 4.21Å; Y160-Y192 HydrophobicContact CE2-CE1 4.14Å; M165-Y192 HydrophobicContact CE-CD1 4.03Å; M165-Y192 HydrophobicContact CE-CE1 4.39Å; Y192-D194 HydrophobicContact CE1-CB 3.75Å
193	Y	97.5	Very high	96.3	Very high	1 Å²	1	26 Å²	26	0%	0.004	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	120.6	-179.3	-178.6	-101.3	0	0	0	111.3	L41 I42 D43 M165 L170 E195 H214 L218	L41-Y193 PolarHBondContact O-N 3.25Å; I42-Y193 HydrophobicContact CD1-CD1 4.1Å; I42-Y193 HydrophobicContact CD1-CG 4.28Å; I42-Y193 HydrophobicContact CG2-CD1 4.24Å; D43-Y193 PolarHBondContact N-O 3.47Å; M165-Y193 HydrophobicContact SD-CD2 4.24Å; L170-Y193 HydrophobicContact CB-CD2 4.16Å; L170-Y193 HydrophobicContact CB-CE2 4.15Å; L170-Y193 HydrophobicContact CD1-CD2 4.11Å; L170-Y193 HydrophobicContact CD1-CG 4.41Å; L170-Y193 HydrophobicContact CD2-CD1 4.23Å; L170-Y193 HydrophobicContact CD2-CD2 3.64Å; L170-Y193 HydrophobicContact CD2-CE1 4.41Å; L170-Y193 HydrophobicContact CD2-CE2 3.83Å; L170-Y193 HydrophobicContact CD2-CG 3.81Å; L170-Y193 HydrophobicContact CG-CD2 4.18Å; L170-Y193 HydrophobicContact CG-CE2 4.49Å; Y193-E195 HydrophobicContact CD1-CB 4.45Å; Y193-E195 HydrophobicContact CE1-CB 3.68Å; Y193-E195 HydrophobicContact CE2-CB 4.03Å; Y193-E195 VanDerWaalsContact CZ-CB 3.45Å; Y193-E195 WeakPolarHBondContact OH-CB 3.4Å; Y193-H214 AromaticContact CE1-NE2 3.38Å; Y193-H214 WeakPolarHBondContact CE1-NE2 3.33Å; Y193-H214 AromaticContact CZ-NE2 3.52Å; Y193-H214 PolarHBondContact OH-CE1 2.79Å; Y193-H214 PolarHBondContact OH-NE2 3.42Å; Y193-L218 HydrophobicContact CD1-CD2 4.32Å; Y193-L218 HydrophobicContact CE1-CD2 3.84Å
194	D	95.3	Very high	96.5	Very high	3 Å²	3	20.8 Å²	20.8	2%	0.016	11%	0.108	C	C	.	.			trans	-107	-4	-170.3	73.8	-5.1	0	0	0	115.6	D43 Y160 Q162 M165 Y192 L196 D197 R198	D43-D194 HydrophobicContact CB-CB 4.27Å; Y160-D194 WeakPolarHBondContact CE2-OD2 3.47Å; Y160-D194 VanDerWaalsContact CZ-OD2 3.29Å; Y160-D194 PolarHBondContact OH-OD2 2.91Å; Q162-D194 PolarHBondContact NE2-OD1 3.31Å; M165-D194 WeakPolarHBondContact CB-OD1 3.35Å; M165-D194 WeakPolarHBondContact CG-OD1 3.38Å; Y192-D194 HydrophobicContact CE1-CB 3.75Å; D194-L196 PolarHBondContact O-N 2.95Å; D194-D197 WeakPolarHBondContact O-CB 3.37Å; D194-D197 PolarHBondContact O-N 2.68Å; D194-D197 VanDerWaalsContact O-N 3.12Å; D194-R198 PolarHBondContact O-N 3.31Å
195	E	95.8	Very high	96.7	Very high	29 Å²	29	18.5 Å²	18.5	14%	0.136	9%	0.085	C	C	.	.	H	α-helix	trans	-66	-28.1	-170.6	174.3	61.5	152.9	0	0	112.4	Y193 R198 I199 H214	Y193-E195 HydrophobicContact CD1-CB 4.45Å; Y193-E195 HydrophobicContact CE1-CB 3.68Å; Y193-E195 HydrophobicContact CE2-CB 4.03Å; Y193-E195 VanDerWaalsContact CZ-CB 3.45Å; Y193-E195 WeakPolarHBondContact OH-CB 3.4Å; E195-R198 PolarHBondContact O-N 2.87Å; E195-R198 IonicContact OE1-CZ 3.59Å; E195-R198 IonicContact OE1-NE 2.71Å; E195-R198 IonicContact OE1-NH2 3.52Å; E195-R198 PolarHBondContact OE1-NH2 3.04Å; E195-R198 IonicContact OE2-CZ 3.41Å; E195-R198 IonicContact OE2-NE 2.68Å; E195-R198 PolarHBondContact OE2-NE 3.09Å; E195-R198 IonicContact OE2-NH1 2.77Å; E195-R198 IonicContact OE2-NH2 2.76Å; E195-R198 PolarHBondContact OE2-NH2 3.12Å; E195-I199 HydrophobicContact CG-CD1 3.89Å; E195-I199 HydrophobicContact CG-CG1 4.42Å; E195-I199 WeakPolarHBondContact O-CB 3.46Å; E195-I199 WeakPolarHBondContact O-CG1 3.06Å; E195-I199 PolarHBondContact O-N 3.34Å; E195-H214 WeakPolarHBondContact CG-CE1 3.27Å
196	L	96.5	Very high	96.9	Very high	5 Å²	5	21.2 Å²	21.2	3%	0.026	10%	0.095	C	C	.	.	H	α-helix	trans	-65.4	-44.8	175.7	-170.2	75.2	0	0	0	111.5	I42 L45 D194 I199 G200 L210 L215 L218	I42-L196 HydrophobicContact CG2-CB 4.08Å; I42-L196 HydrophobicContact CG2-CD2 3.8Å; L45-L196 HydrophobicContact CB-CD2 4.02Å; L45-L196 HydrophobicContact CD1-CD2 3.38Å; L45-L196 HydrophobicContact CG-CD2 4.31Å; D194-L196 PolarHBondContact O-N 2.95Å; L196-I199 PolarHBondContact O-N 3.47Å; L196-G200 PolarHBondContact O-N 2.89Å; L196-L210 HydrophobicContact CD1-CD1 3.96Å; L196-L210 HydrophobicContact CD1-CD2 3.92Å; L196-L210 HydrophobicContact CD1-CG 3.64Å; L196-L210 HydrophobicContact CG-CD1 4.32Å; L196-L215 HydrophobicContact CD1-CD2 3.91Å; L196-L218 HydrophobicContact CD1-CD1 4.35Å
197	D	96.4	Very high	97	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.005	10%	0.1	C	C	.	.	H	α-helix	trans	-60.8	-46.6	173.6	176.7	70.4	0	0	0	111.4	D43 D194 I199 G200 H201 H243 M245 Y348 H357	D43-D197 HydrophobicContact CB-CB 3.91Å; D43-D197 PolarHBondContact O-N 3.06Å; D43-D197 WeakPolarHBondContact OD1-CB 3.27Å; D194-D197 WeakPolarHBondContact O-CB 3.37Å; D194-D197 PolarHBondContact O-N 2.68Å; D194-D197 VanDerWaalsContact O-N 3.12Å; D197-I199 VanDerWaalsContact C-N 3.35Å; D197-I199 PolarHBondContact O-N 3.4Å; D197-G200 CarbonylContact O-C 3.58Å; D197-G200 WeakPolarHBondContact O-CA 3.31Å; D197-G200 PolarHBondContact O-N 2.81Å; D197-H201 PolarHBondContact O-N 3.49Å; D197-H201 IonicContact OD1-CD2 2.68Å; D197-H201 IonicContact OD1-NE2 3.58Å; D197-H201 IonicContact OD2-CD2 3.69Å; D197-H201 PolarHBondContact OD2-CD2 3.35Å; D197-H201 VanDerWaalsContact OD2-CD2 3.26Å; D197-H201 IonicContact OD2-NE2 3.86Å; D197-H243 IonicContact OD1-CE1 3.42Å; D197-M245 WeakPolarHBondContact OD1-CE 3.43Å; D197-Y348 WeakPolarHBondContact OD2-CE1 3.47Å; D197-Y348 PolarHBondContact OD2-OH 2.87Å; D197-H357 IonicContact OD1-CD2 2.66Å; D197-H357 PolarHBondContact OD1-CD2 3.2Å; D197-H357 IonicContact OD1-NE2 3.42Å
198	R	95.4	Very high	97	Very high	48 Å²	48	26.3 Å²	26.3	18%	0.181	12%	0.123	C	C	.	.	H	α-helix	trans	-58.3	-43.9	176.3	-176.4	171.4	81.7	-167.9	-0.6	112.6	D194 E195 R202 Y348	D194-R198 PolarHBondContact O-N 3.31Å; E195-R198 PolarHBondContact O-N 2.87Å; E195-R198 IonicContact OE1-CZ 3.59Å; E195-R198 IonicContact OE1-NE 2.71Å; E195-R198 IonicContact OE1-NH2 3.52Å; E195-R198 PolarHBondContact OE1-NH2 3.04Å; E195-R198 IonicContact OE2-CZ 3.41Å; E195-R198 IonicContact OE2-NE 2.68Å; E195-R198 PolarHBondContact OE2-NE 3.09Å; E195-R198 IonicContact OE2-NH1 2.77Å; E195-R198 IonicContact OE2-NH2 2.76Å; E195-R198 PolarHBondContact OE2-NH2 3.12Å; R198-R202 WeakPolarHBondContact O-CB 3.49Å; R198-R202 PolarHBondContact O-N 3.5Å; R198-R202 VanDerWaalsContact O-N 3.09Å; R198-Y348 HydrophobicContact CB-CD1 3.97Å; R198-Y348 HydrophobicContact CB-CE1 4.25Å; R198-Y348 HydrophobicContact CG-CD1 3.89Å
199	I	96.6	Very high	97	Very high	16 Å²	16	30 Å²	30	8%	0.082	14%	0.14	C	C	.	.	H	α-helix	trans	-65.8	-41.5	174.9	-69.1	169.3	0	0	0	110.2	E195 L196 D197 R202 Y203 E209 L210 H214	E195-I199 HydrophobicContact CG-CD1 3.89Å; E195-I199 HydrophobicContact CG-CG1 4.42Å; E195-I199 WeakPolarHBondContact O-CB 3.46Å; E195-I199 WeakPolarHBondContact O-CG1 3.06Å; E195-I199 PolarHBondContact O-N 3.34Å; L196-I199 PolarHBondContact O-N 3.47Å; D197-I199 VanDerWaalsContact C-N 3.35Å; D197-I199 PolarHBondContact O-N 3.4Å; I199-R202 PolarHBondContact O-N 3.07Å; I199-R202 VanDerWaalsContact O-N 3.17Å; I199-Y203 HydrophobicContact CG2-CD2 4.05Å; I199-Y203 PolarHBondContact O-N 3.25Å; I199-E209 HydrophobicContact CG2-CB 4.08Å; I199-L210 HydrophobicContact CG2-CB 3.8Å; I199-L210 HydrophobicContact CG2-CD1 4.35Å; I199-L210 HydrophobicContact CG2-CG 4.31Å; I199-H214 HydrophobicContact CD1-CB 3.79Å; I199-H214 VanDerWaalsContact CD1-CG 3.42Å; I199-H214 VanDerWaalsContact CD1-ND1 3.3Å; I199-H214 WeakPolarHBondContact CD1-ND1 3.33Å
200	G	97.6	Very high	97	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.01	14%	0.142	C	C	.	.	H	α-helix	trans	-58.2	-47.2	176.3	0	0	0	0	0	112.4	L196 D197 R202 G204 G355	L196-G200 PolarHBondContact O-N 2.89Å; D197-G200 CarbonylContact O-C 3.58Å; D197-G200 WeakPolarHBondContact O-CA 3.31Å; D197-G200 PolarHBondContact O-N 2.81Å; G200-R202 VanDerWaalsContact C-N 3.35Å; G200-R202 PolarHBondContact O-N 2.93Å; G200-G204 CarbonylContact O-C 3.56Å; G200-G204 WeakPolarHBondContact O-CA 3.41Å; G200-G204 PolarHBondContact O-N 3.04Å; G200-G355 WeakPolarHBondContact O-CA 3.37Å; G200-G355 PolarHBondContact O-N 3.09Å
201	H	97.2	Very high	96.9	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-61.3	-41.4	172.9	-83.3	-56.5	0	0	0	112.8	D197 M345 Y348 P353 K354 G355 H357	D197-H201 PolarHBondContact O-N 3.49Å; D197-H201 IonicContact OD1-CD2 2.68Å; D197-H201 IonicContact OD1-NE2 3.58Å; D197-H201 IonicContact OD2-CD2 3.69Å; D197-H201 PolarHBondContact OD2-CD2 3.35Å; D197-H201 VanDerWaalsContact OD2-CD2 3.26Å; D197-H201 IonicContact OD2-NE2 3.86Å; H201-M345 HydrophobicContact CB-CE 4.31Å; H201-M345 WeakPolarHBondContact ND1-CE 3.14Å; H201-Y348 AromaticContact CD2-CE1 3.77Å; H201-Y348 AromaticContact CD2-CE2 3.53Å; H201-Y348 AromaticContact CD2-CZ 3.35Å; H201-Y348 AromaticContact NE2-CE2 3.66Å; H201-Y348 AromaticContact NE2-CZ 3.64Å; H201-Y348 PolarHBondContact NE2-OH 3.41Å; H201-P353 CarbonylContact O-C 3.54Å; H201-P353 WeakPolarHBondContact O-CA 3.4Å; H201-K354 PolarHBondContact O-N 3.2Å; H201-G355 PolarHBondContact ND1-O 3.38Å; H201-G355 PolarHBondContact O-N 2.83Å; H201-H357 AromaticContact CE1-CD2 3.57Å; H201-H357 AromaticContact CE1-NE2 3.74Å; H201-H357 AromaticContact NE2-CD2 3.39Å; H201-H357 PolarHBondContact NE2-CD2 3.34Å; H201-H357 AromaticContact NE2-NE2 3.27Å; H201-H357 PolarHBondContact NE2-NE2 2.99Å
202	R	96.5	Very high	96.7	Very high	88 Å²	88	37.5 Å²	37.5	33%	0.332	18%	0.177	S	C	.	.	H	α-helix	trans	-74.9	-45.8	-173.9	-174.2	170.4	-69.7	158.9	3.5	113.9	R198 I199 G200 Y348 L350 K354	R198-R202 WeakPolarHBondContact O-CB 3.49Å; R198-R202 PolarHBondContact O-N 3.5Å; R198-R202 VanDerWaalsContact O-N 3.09Å; I199-R202 PolarHBondContact O-N 3.07Å; I199-R202 VanDerWaalsContact O-N 3.17Å; G200-R202 VanDerWaalsContact C-N 3.35Å; G200-R202 PolarHBondContact O-N 2.93Å; R202-Y348 PolarHBondContact NH2-O 2.92Å; R202-Y348 VanDerWaalsContact NH2-O 3.14Å; R202-L350 HydrophobicContact CB-CD1 4.08Å; R202-L350 HydrophobicContact CB-CD2 4.08Å; R202-L350 HydrophobicContact CG-CD2 4.15Å; R202-K354 WeakPolarHBondContact O-CG 3.46Å
203	Y	97.1	Very high	96.7	Very high	109 Å²	109	43 Å²	43	43%	0.427	20%	0.201	S	C	.	.	H	α-helix	trans	-116.1	-14.6	-170.1	-59	-73.4	0	0	0	113	I199 S207 E209	I199-Y203 HydrophobicContact CG2-CD2 4.05Å; I199-Y203 PolarHBondContact O-N 3.25Å; Y203-S207 WeakPolarHBondContact CB-OG 3.29Å; Y203-S207 WeakPolarHBondContact O-CB 3.48Å; Y203-E209 HydrophobicContact CD1-CG 4.13Å; Y203-E209 HydrophobicContact CD2-CB 3.85Å; Y203-E209 HydrophobicContact CD2-CG 3.87Å; Y203-E209 HydrophobicContact CE1-CG 4.28Å; Y203-E209 HydrophobicContact CE2-CB 4.3Å; Y203-E209 HydrophobicContact CE2-CG 4.01Å; Y203-E209 HydrophobicContact CG-CB 4.11Å; Y203-E209 HydrophobicContact CG-CG 3.93Å
204	G	97.5	Very high	96.6	Very high	4 Å²	4	43.5 Å²	43.5	4%	0.041	20%	0.203	C	C	.	.			trans	99	155.4	-175.6	0	0	0	0	0	112.1	G200 L206 S207 K354	G200-G204 CarbonylContact O-C 3.56Å; G200-G204 WeakPolarHBondContact O-CA 3.41Å; G200-G204 PolarHBondContact O-N 3.04Å; G204-L206 PolarHBondContact O-N 2.98Å; G204-S207 WeakPolarHBondContact O-CB 3.06Å; G204-S207 PolarHBondContact O-N 3.43Å; G204-S207 PolarHBondContact O-OG 3.39Å; G204-K354 WeakPolarHBondContact CA-O 3.42Å
205	P	97.4	Very high	96.6	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.006	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-21.1	-173.9	26.6	-35.6	0	0	0	114.1	M245 T247	P205-M245 HydrophobicContact CB-CB 4.07Å; P205-M245 HydrophobicContact CB-CG 3.87Å; P205-M245 WeakPolarHBondContact CB-O 3.37Å; P205-M245 HydrophobicContact CG-CG 4.2Å; P205-M245 WeakPolarHBondContact CG-O 3.44Å; P205-T247 WeakPolarHBondContact CG-OG1 3.16Å
206	L	96.8	Very high	96.6	Very high	108 Å²	108	44.4 Å²	44.4	57%	0.565	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.2	16.8	-177.9	-55.8	179.6	0	0	0	112.7	V49 G204	V49-L206 HydrophobicContact CG2-CD2 4.02Å; G204-L206 PolarHBondContact O-N 2.98Å
207	S	97.6	Very high	96.5	Very high	15 Å²	15	49.8 Å²	49.8	11%	0.105	23%	0.232	C	C	.	.			trans	-70.4	155.6	-179.3	60	0	0	0	0	112.7	Y203 G204 E209 L210 V211	Y203-S207 WeakPolarHBondContact CB-OG 3.29Å; Y203-S207 WeakPolarHBondContact O-CB 3.48Å; G204-S207 WeakPolarHBondContact O-CB 3.06Å; G204-S207 PolarHBondContact O-N 3.43Å; G204-S207 PolarHBondContact O-OG 3.39Å; S207-E209 WeakPolarHBondContact CB-OE2 3.41Å; S207-E209 PolarHBondContact O-N 3.19Å; S207-L210 PolarHBondContact O-N 2.7Å; S207-L210 WeakPolarHBondContact OG-CB 3.35Å; S207-L210 PolarHBondContact OG-N 2.78Å; S207-V211 PolarHBondContact O-N 3.28Å
208	N	97.4	Very high	96.6	Very high	112 Å²	112	50 Å²	50	60%	0.599	23%	0.233	S	C	*	.	H	α-helix	trans	-62.2	-36.2	174.3	-74.9	-28	0	0	0	111.4	L210 H212 K213	N208-L210 VanDerWaalsContact C-N 3.26Å; N208-L210 PolarHBondContact O-N 3.23Å; N208-H212 PolarHBondContact O-N 3.2Å; N208-H212 PolarHBondContact OD1-CD2 3.38Å; N208-K213 PolarHBondContact O-N 3.03Å
209	E	97.7	Very high	96.6	Very high	76 Å²	76	47.7 Å²	47.7	36%	0.355	22%	0.224	S	C	.	.	I	π-helix	trans	-57.3	-40.5	175.9	-68.9	80.2	178.6	0	0	111.6	I199 Y203 S207 K213 H214	I199-E209 HydrophobicContact CG2-CB 4.08Å; Y203-E209 HydrophobicContact CD1-CG 4.13Å; Y203-E209 HydrophobicContact CD2-CB 3.85Å; Y203-E209 HydrophobicContact CD2-CG 3.87Å; Y203-E209 HydrophobicContact CE1-CG 4.28Å; Y203-E209 HydrophobicContact CE2-CB 4.3Å; Y203-E209 HydrophobicContact CE2-CG 4.01Å; Y203-E209 HydrophobicContact CG-CB 4.11Å; Y203-E209 HydrophobicContact CG-CG 3.93Å; S207-E209 WeakPolarHBondContact CB-OE2 3.41Å; S207-E209 PolarHBondContact O-N 3.19Å; E209-K213 WeakPolarHBondContact O-CB 2.95Å; E209-H214 WeakPolarHBondContact O-CB 3.36Å; E209-H214 PolarHBondContact O-N 3.14Å
210	L	97.4	Very high	96.7	Very high	7 Å²	7	51.8 Å²	51.8	4%	0.037	24%	0.243	C	C	.	.	I	π-helix	trans	-79.7	-59.8	177.5	-165.5	151	0	0	0	111.3	V49 L196 I199 S207 N208 H214 L215	V49-L210 HydrophobicContact CG1-CD2 3.56Å; L196-L210 HydrophobicContact CD1-CD1 3.96Å; L196-L210 HydrophobicContact CD1-CD2 3.92Å; L196-L210 HydrophobicContact CD1-CG 3.64Å; L196-L210 HydrophobicContact CG-CD1 4.32Å; I199-L210 HydrophobicContact CG2-CB 3.8Å; I199-L210 HydrophobicContact CG2-CD1 4.35Å; I199-L210 HydrophobicContact CG2-CG 4.31Å; S207-L210 PolarHBondContact O-N 2.7Å; S207-L210 WeakPolarHBondContact OG-CB 3.35Å; S207-L210 PolarHBondContact OG-N 2.78Å; N208-L210 VanDerWaalsContact C-N 3.26Å; N208-L210 PolarHBondContact O-N 3.23Å; L210-H214 WeakPolarHBondContact O-CB 3.48Å; L210-H214 PolarHBondContact O-N 2.61Å; L210-L215 HydrophobicContact CD2-CD1 4.27Å; L210-L215 HydrophobicContact CD2-CD2 4.44Å; L210-L215 HydrophobicContact CD2-CG 4.14Å; L210-L215 PolarHBondContact O-N 2.81Å
211	V	96.5	Very high	96.6	Very high	26 Å²	26	51.9 Å²	51.9	16%	0.158	24%	0.243	C	C	.	.	I	π-helix	trans	-73.1	-48.3	-167.4	177.5	0	0	0	0	112.4	V49 S207	V49-V211 HydrophobicContact CG1-CG2 3.97Å; S207-V211 PolarHBondContact O-N 3.28Å
212	H	94.4	Very high	96.7	Very high	128 Å²	128	52.1 Å²	52.1	59%	0.593	24%	0.244	S	C	*	.	I	π-helix	trans	-96	-11.7	-171.4	-69.2	-67.9	0	0	0	114	N208 V216	N208-H212 PolarHBondContact O-N 3.2Å; N208-H212 PolarHBondContact OD1-CD2 3.38Å; H212-V216 WeakPolarHBondContact O-CG2 3.22Å
213	K	95.4	Very high	96.7	Very high	125 Å²	125	49.6 Å²	49.6	54%	0.543	24%	0.238	S	C	.	.	I	π-helix	trans	-116.7	-59.8	178.5	179.5	-179.1	-179.9	-176.7	0	111.6	N208 E209 V216 Y217	N208-K213 PolarHBondContact O-N 3.03Å; E209-K213 WeakPolarHBondContact O-CB 2.95Å; K213-V216 PolarHBondContact O-N 3.34Å; K213-Y217 HydrophobicContact CG-CD2 4.27Å; K213-Y217 HydrophobicContact CG-CE2 3.68Å; K213-Y217 WeakPolarHBondContact O-CD2 3.4Å; K213-Y217 PolarHBondContact O-N 3.1Å
214	H	96.2	Very high	96.7	Very high	10 Å²	10	48.2 Å²	48.2	5%	0.046	23%	0.232	C	C	.	.	I	π-helix	trans	-71.9	-43.2	-171.3	-153.3	73.3	0	0	0	113.8	Y193 E195 I199 E209 L210 V216 Y217 L218	Y193-H214 AromaticContact CE1-NE2 3.38Å; Y193-H214 WeakPolarHBondContact CE1-NE2 3.33Å; Y193-H214 AromaticContact CZ-NE2 3.52Å; Y193-H214 PolarHBondContact OH-CE1 2.79Å; Y193-H214 PolarHBondContact OH-NE2 3.42Å; E195-H214 WeakPolarHBondContact CG-CE1 3.27Å; I199-H214 HydrophobicContact CD1-CB 3.79Å; I199-H214 VanDerWaalsContact CD1-CG 3.42Å; I199-H214 VanDerWaalsContact CD1-ND1 3.3Å; I199-H214 WeakPolarHBondContact CD1-ND1 3.33Å; E209-H214 WeakPolarHBondContact O-CB 3.36Å; E209-H214 PolarHBondContact O-N 3.14Å; L210-H214 WeakPolarHBondContact O-CB 3.48Å; L210-H214 PolarHBondContact O-N 2.61Å; H214-V216 PolarHBondContact O-N 3.1Å; H214-Y217 PolarHBondContact O-N 2.86Å; H214-Y217 VanDerWaalsContact O-N 3.12Å; H214-L218 PolarHBondContact O-N 3.17Å
215	L	95.8	Very high	96.7	Very high	1 Å²	1	48 Å²	48	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-62.7	-32.4	176.3	-67.2	-172.7	0	0	0	112.9	V49 I50 H53 F63 L196 L210 L218 D219	V49-L215 HydrophobicContact CG1-CD1 3.71Å; I50-L215 HydrophobicContact CD1-CD1 4.27Å; I50-L215 HydrophobicContact CD1-CD2 4.03Å; H53-L215 HydrophobicContact CB-CD1 3.91Å; F63-L215 HydrophobicContact CE2-CD2 4.46Å; L196-L215 HydrophobicContact CD1-CD2 3.91Å; L210-L215 HydrophobicContact CD2-CD1 4.27Å; L210-L215 HydrophobicContact CD2-CD2 4.44Å; L210-L215 HydrophobicContact CD2-CG 4.14Å; L210-L215 PolarHBondContact O-N 2.81Å; L215-L218 HydrophobicContact CD2-CD1 4.16Å; L215-L218 PolarHBondContact O-N 3.47Å; L215-D219 PolarHBondContact O-N 3.17Å
216	V	95.1	Very high	96.7	Very high	51 Å²	51	48 Å²	48	31%	0.309	23%	0.23	S	C	.	.	H	α-helix	trans	-64.8	-40.7	174.8	-179.3	0	0	0	0	110.9	H212 K213 H214 D219 H220	H212-V216 WeakPolarHBondContact O-CG2 3.22Å; K213-V216 PolarHBondContact O-N 3.34Å; H214-V216 PolarHBondContact O-N 3.1Å; V216-D219 PolarHBondContact O-N 2.87Å; V216-H220 PolarHBondContact O-CD2 3.12Å; V216-H220 PolarHBondContact O-N 2.91Å
217	Y	95.6	Very high	96.7	Very high	118 Å²	118	46.8 Å²	46.8	46%	0.463	22%	0.224	S	C	.	.	H	α-helix	trans	-65	-40.5	172.3	-68.1	-53.9	0	0	0	112.3	P167 K213 H214 D219 H220 V221	P167-Y217 HydrophobicContact CG-CG 4.24Å; K213-Y217 HydrophobicContact CG-CD2 4.27Å; K213-Y217 HydrophobicContact CG-CE2 3.68Å; K213-Y217 WeakPolarHBondContact O-CD2 3.4Å; K213-Y217 PolarHBondContact O-N 3.1Å; H214-Y217 PolarHBondContact O-N 2.86Å; H214-Y217 VanDerWaalsContact O-N 3.12Å; Y217-D219 VanDerWaalsContact C-N 3.31Å; Y217-D219 PolarHBondContact O-N 3.09Å; Y217-H220 WeakPolarHBondContact O-CB 3.5Å; Y217-H220 PolarHBondContact O-N 3.46Å; Y217-H220 VanDerWaalsContact O-N 3.14Å; Y217-V221 PolarHBondContact O-N 3.37Å; Y217-V221 VanDerWaalsContact O-N 3.1Å
218	L	97	Very high	96.6	Very high	4 Å²	4	47.3 Å²	47.3	2%	0.021	23%	0.225	C	C	.	.	H	α-helix	trans	-63.5	-34.9	175.9	-71.8	179.9	0	0	0	112.2	I42 F63 L170 Y193 L196 H214 L215 H220 V221 L222	I42-L218 HydrophobicContact CG2-CD1 4.34Å; F63-L218 HydrophobicContact CE2-CB 4.13Å; L170-L218 HydrophobicContact CD2-CD2 4.04Å; Y193-L218 HydrophobicContact CD1-CD2 4.32Å; Y193-L218 HydrophobicContact CE1-CD2 3.84Å; L196-L218 HydrophobicContact CD1-CD1 4.35Å; H214-L218 PolarHBondContact O-N 3.17Å; L215-L218 HydrophobicContact CD2-CD1 4.16Å; L215-L218 PolarHBondContact O-N 3.47Å; L218-H220 VanDerWaalsContact C-N 3.28Å; L218-H220 PolarHBondContact O-N 3.04Å; L218-V221 PolarHBondContact O-N 3.18Å; L218-L222 WeakPolarHBondContact O-CB 3.46Å; L218-L222 WeakPolarHBondContact O-CG 3.43Å; L218-L222 PolarHBondContact O-N 3.03Å
219	D	96.9	Very high	96.5	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-57.5	-41.5	172.1	-84.8	-44.4	0	0	0	112.3	H53 N57 F61 G62 F63 L215 V216 Y217 L222 D223	H53-D219 IonicContact CD2-OD2 3.22Å; H53-D219 IonicContact CE1-OD2 3.96Å; H53-D219 PolarHBondContact CE1-OD2 3.35Å; H53-D219 IonicContact NE2-OD1 3.77Å; H53-D219 IonicContact NE2-OD2 3.05Å; H53-D219 PolarHBondContact NE2-OD2 3.4Å; N57-D219 PolarHBondContact ND2-OD2 2.94Å; F61-D219 HydrophobicContact CD2-CB 3.74Å; F61-D219 HydrophobicContact CE2-CB 3.43Å; F61-D219 VanDerWaalsContact CE2-CB 3.43Å; F61-D219 HydrophobicContact CZ-CB 4.48Å; G62-D219 VanDerWaalsContact CA-O 3.29Å; G62-D219 WeakPolarHBondContact CA-O 3.09Å; G62-D219 WeakPolarHBondContact CA-OD1 3.21Å; F63-D219 WeakPolarHBondContact CD2-OD1 3.42Å; F63-D219 PolarHBondContact N-OD1 2.85Å; L215-D219 PolarHBondContact O-N 3.17Å; V216-D219 PolarHBondContact O-N 2.87Å; Y217-D219 VanDerWaalsContact C-N 3.31Å; Y217-D219 PolarHBondContact O-N 3.09Å; D219-L222 PolarHBondContact O-N 2.81Å; D219-D223 WeakPolarHBondContact O-CB 3.11Å; D219-D223 PolarHBondContact O-N 3.04Å
220	H	96.8	Very high	96.4	Very high	102 Å²	102	42.9 Å²	42.9	47%	0.472	20%	0.201	S	C	.	.	H	α-helix	trans	-67.1	-40.3	177.6	-70.5	-66.4	0	0	0	112.3	F61 V216 Y217 L218 D223 Y224	F61-H220 AromaticContact CE2-CE1 3.66Å; F61-H220 AromaticContact CE2-ND1 3.67Å; F61-H220 AromaticContact CZ-CE1 3.57Å; F61-H220 AromaticContact CZ-NE2 4Å; V216-H220 PolarHBondContact O-CD2 3.12Å; V216-H220 PolarHBondContact O-N 2.91Å; Y217-H220 WeakPolarHBondContact O-CB 3.5Å; Y217-H220 PolarHBondContact O-N 3.46Å; Y217-H220 VanDerWaalsContact O-N 3.14Å; L218-H220 VanDerWaalsContact C-N 3.28Å; L218-H220 PolarHBondContact O-N 3.04Å; H220-D223 PolarHBondContact O-N 2.75Å; H220-Y224 WeakPolarHBondContact O-CB 3.08Å; H220-Y224 PolarHBondContact O-N 2.84Å
221	V	97.3	Very high	96.1	Very high	4 Å²	4	46.8 Å²	46.8	2%	0.024	23%	0.229	C	C	.	.	H	α-helix	trans	-62.9	-45.1	174.3	171.4	0	0	0	0	111	P167 L170 N171 I174 Y217 L218 Y224 A225	P167-V221 HydrophobicContact CB-CG2 3.98Å; L170-V221 HydrophobicContact CD2-CB 4.47Å; L170-V221 HydrophobicContact CD2-CG1 3.66Å; L170-V221 HydrophobicContact CD2-CG2 4.36Å; L170-V221 HydrophobicContact CG-CG1 3.79Å; N171-V221 WeakPolarHBondContact OD1-CA 3.33Å; N171-V221 WeakPolarHBondContact OD1-CG1 3.46Å; I174-V221 HydrophobicContact CD1-CG1 3.5Å; Y217-V221 PolarHBondContact O-N 3.37Å; Y217-V221 VanDerWaalsContact O-N 3.1Å; L218-V221 PolarHBondContact O-N 3.18Å; V221-Y224 WeakPolarHBondContact O-CB 2.94Å; V221-Y224 PolarHBondContact O-N 3.16Å; V221-A225 WeakPolarHBondContact O-CB 3.32Å; V221-A225 PolarHBondContact O-N 2.91Å
222	L	97.6	Very high	96	Very high	5 Å²	5	46.2 Å²	46.2	3%	0.026	23%	0.225	C	C	.	.	H	α-helix	trans	-66.2	-39.1	179.4	-69.5	174.4	0	0	0	111.4	L40 F63 L66 L218 D219 A225 L226 L239	L40-L222 HydrophobicContact CD1-CD2 3.65Å; F63-L222 HydrophobicContact CD1-CD1 3.72Å; F63-L222 HydrophobicContact CD2-CD1 3.77Å; F63-L222 HydrophobicContact CE1-CD1 3.56Å; F63-L222 HydrophobicContact CE2-CD1 3.57Å; F63-L222 HydrophobicContact CG-CD1 3.82Å; F63-L222 HydrophobicContact CZ-CD1 3.47Å; F63-L222 VanDerWaalsContact CZ-CD1 3.47Å; L66-L222 HydrophobicContact CD1-CD1 3.96Å; L66-L222 HydrophobicContact CD1-CD2 4.18Å; L66-L222 HydrophobicContact CD1-CG 4.45Å; L218-L222 WeakPolarHBondContact O-CB 3.46Å; L218-L222 WeakPolarHBondContact O-CG 3.43Å; L218-L222 PolarHBondContact O-N 3.03Å; D219-L222 PolarHBondContact O-N 2.81Å; L222-A225 PolarHBondContact O-N 2.91Å; L222-L226 WeakPolarHBondContact O-CB 3.48Å; L222-L226 VanDerWaalsContact O-CG 3.26Å; L222-L226 WeakPolarHBondContact O-CG 3.05Å; L222-L226 PolarHBondContact O-N 3.22Å; L222-L239 HydrophobicContact CD1-CD2 3.82Å; L222-L239 HydrophobicContact CD2-CD1 4.07Å; L222-L239 HydrophobicContact CD2-CD2 3.88Å
223	D	97	Very high	95.9	Very high	36 Å²	36	44.4 Å²	44.4	19%	0.193	22%	0.224	C	C	.	.	H	α-helix	trans	-65.3	-41.2	175	-162	67.2	0	0	0	112	F61 R65 D219 H220 L226 N227	F61-D223 HydrophobicContact CB-CB 4Å; F61-D223 WeakPolarHBondContact CB-OD1 3.41Å; F61-D223 HydrophobicContact CD2-CB 4.23Å; R65-D223 WeakPolarHBondContact CD-OD1 3.41Å; R65-D223 IonicContact CZ-OD1 3.7Å; R65-D223 IonicContact NH1-OD1 3.79Å; R65-D223 PolarHBondContact NH1-OD1 3.27Å; R65-D223 IonicContact NH1-OD2 3.26Å; D219-D223 WeakPolarHBondContact O-CB 3.11Å; D219-D223 PolarHBondContact O-N 3.04Å; H220-D223 PolarHBondContact O-N 2.75Å; D223-L226 PolarHBondContact O-N 3.21Å; D223-N227 WeakPolarHBondContact O-CB 3.03Å; D223-N227 PolarHBondContact O-N 2.86Å; D223-N227 PolarHBondContact O-ND2 3.16Å; D223-N227 PolarHBondContact OD2-ND2 3.07Å; D223-N227 VanDerWaalsContact OD2-ND2 3.11Å
224	Y	96.8	Very high	95.8	Very high	79 Å²	79	40.7 Å²	40.7	31%	0.31	21%	0.211	S	C	.	.	H	α-helix	trans	-57.6	-50	171.7	173.2	-99.7	0	0	0	111.7	N171 Q175 H220 V221 L226 N227 I228	N171-Y224 HydrophobicContact CB-CD1 3.98Å; N171-Y224 HydrophobicContact CB-CE1 3.82Å; N171-Y224 WeakPolarHBondContact O-CE1 3.46Å; N171-Y224 VanDerWaalsContact OD1-CD1 3.3Å; N171-Y224 WeakPolarHBondContact OD1-CD1 3.37Å; Q175-Y224 PolarHBondContact OE1-OH 3.11Å; Q175-Y224 VanDerWaalsContact OE1-OH 3.12Å; H220-Y224 WeakPolarHBondContact O-CB 3.08Å; H220-Y224 PolarHBondContact O-N 2.84Å; V221-Y224 WeakPolarHBondContact O-CB 2.94Å; V221-Y224 PolarHBondContact O-N 3.16Å; Y224-L226 VanDerWaalsContact C-N 3.34Å; Y224-L226 PolarHBondContact O-N 3.32Å; Y224-N227 PolarHBondContact O-N 3.38Å; Y224-I228 HydrophobicContact CD1-CD1 3.75Å; Y224-I228 HydrophobicContact CD2-CD1 4.26Å; Y224-I228 HydrophobicContact CE1-CD1 3.21Å; Y224-I228 HydrophobicContact CE1-CG1 4.49Å; Y224-I228 HydrophobicContact CE2-CD1 3.81Å; Y224-I228 HydrophobicContact CE2-CG1 4.47Å; Y224-I228 HydrophobicContact CG-CD1 4.25Å; Y224-I228 WeakPolarHBondContact O-CG1 3.31Å; Y224-I228 PolarHBondContact O-N 3.35Å; Y224-I228 VanDerWaalsContact O-N 3.13Å
225	A	97.8	Very high	95.9	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-57.5	-46.6	177.1	0	0	0	0	0	111.5	L40 I174 V221 L222 N227 I228 I229 L237	L40-A225 HydrophobicContact CD1-CB 4.43Å; I174-A225 HydrophobicContact CD1-CB 4.31Å; I174-A225 HydrophobicContact CG2-CB 3.99Å; V221-A225 WeakPolarHBondContact O-CB 3.32Å; V221-A225 PolarHBondContact O-N 2.91Å; L222-A225 PolarHBondContact O-N 2.91Å; A225-N227 PolarHBondContact O-N 2.92Å; A225-I228 PolarHBondContact O-N 3.35Å; A225-I229 WeakPolarHBondContact O-CG2 3.41Å; A225-I229 PolarHBondContact O-N 2.89Å; A225-L237 HydrophobicContact CB-CD1 4.14Å
226	L	97.4	Very high	96	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-60	-44.7	177.2	-74.5	179.3	0	0	0	112.6	R65 L66 L222 D223 Y224 I228 I229 E230 Y373	R65-L226 HydrophobicContact CB-CD1 3.92Å; R65-L226 HydrophobicContact CG-CD1 3.68Å; L66-L226 HydrophobicContact CD2-CD1 4.05Å; L66-L226 HydrophobicContact CD2-CD2 3.7Å; L66-L226 HydrophobicContact CD2-CG 4.19Å; L66-L226 HydrophobicContact CG-CD1 4.03Å; L222-L226 WeakPolarHBondContact O-CB 3.48Å; L222-L226 VanDerWaalsContact O-CG 3.26Å; L222-L226 WeakPolarHBondContact O-CG 3.05Å; L222-L226 PolarHBondContact O-N 3.22Å; D223-L226 PolarHBondContact O-N 3.21Å; Y224-L226 VanDerWaalsContact C-N 3.34Å; Y224-L226 PolarHBondContact O-N 3.32Å; L226-I228 VanDerWaalsContact C-N 3.27Å; L226-I228 PolarHBondContact O-N 3.34Å; L226-I229 HydrophobicContact CD2-CD1 3.99Å; L226-I229 PolarHBondContact O-N 2.75Å; L226-E230 WeakPolarHBondContact O-CB 3.47Å; L226-E230 VanDerWaalsContact O-CG 3.27Å; L226-E230 WeakPolarHBondContact O-CG 3.23Å; L226-E230 PolarHBondContact O-N 3.27Å; L226-E230 VanDerWaalsContact O-N 3.09Å; L226-Y373 HydrophobicContact CD2-CD1 3.56Å; L226-Y373 HydrophobicContact CD2-CD2 3.95Å; L226-Y373 HydrophobicContact CD2-CE1 3.87Å; L226-Y373 HydrophobicContact CD2-CE2 4.26Å; L226-Y373 HydrophobicContact CD2-CG 3.59Å
227	N	96.5	Very high	96.1	Very high	83 Å²	83	37.9 Å²	37.9	44%	0.444	19%	0.194	S	C	.	.	H	α-helix	trans	-60.9	-36	178.4	-70	-32.1	0	0	0	112.3	R65 D223 Y224 A225	R65-N227 PolarHBondContact NH1-OD1 3.32Å; R65-N227 PolarHBondContact NH2-OD1 2.95Å; R65-N227 VanDerWaalsContact NH2-OD1 3.14Å; D223-N227 WeakPolarHBondContact O-CB 3.03Å; D223-N227 PolarHBondContact O-N 2.86Å; D223-N227 PolarHBondContact O-ND2 3.16Å; D223-N227 PolarHBondContact OD2-ND2 3.07Å; D223-N227 VanDerWaalsContact OD2-ND2 3.11Å; Y224-N227 PolarHBondContact O-N 3.38Å; A225-N227 PolarHBondContact O-N 2.92Å
228	I	95.7	Very high	96.3	Very high	26 Å²	26	32.2 Å²	32.2	13%	0.133	17%	0.172	C	C	.	.	H	α-helix	trans	-72.2	-52.7	177.4	-62.9	165.6	0	0	0	110.6	Q175 V178 Y224 A225 L226 E230 S231 I232	Q175-I228 VanDerWaalsContact OE1-CD1 3.25Å; V178-I228 HydrophobicContact CB-CG2 4.19Å; V178-I228 HydrophobicContact CG1-CG2 3.54Å; V178-I228 HydrophobicContact CG2-CG2 4.31Å; Y224-I228 HydrophobicContact CD1-CD1 3.75Å; Y224-I228 HydrophobicContact CD2-CD1 4.26Å; Y224-I228 HydrophobicContact CE1-CD1 3.21Å; Y224-I228 HydrophobicContact CE1-CG1 4.49Å; Y224-I228 HydrophobicContact CE2-CD1 3.81Å; Y224-I228 HydrophobicContact CE2-CG1 4.47Å; Y224-I228 HydrophobicContact CG-CD1 4.25Å; Y224-I228 WeakPolarHBondContact O-CG1 3.31Å; Y224-I228 PolarHBondContact O-N 3.35Å; Y224-I228 VanDerWaalsContact O-N 3.13Å; A225-I228 PolarHBondContact O-N 3.35Å; L226-I228 VanDerWaalsContact C-N 3.27Å; L226-I228 PolarHBondContact O-N 3.34Å; I228-E230 VanDerWaalsContact C-N 3.31Å; I228-E230 PolarHBondContact O-N 2.91Å; I228-S231 PolarHBondContact O-N 3.1Å; I228-S231 PolarHBondContact O-OG 2.88Å; I228-I232 HydrophobicContact CG2-CD1 4.3Å
229	I	95.8	Very high	96.4	Very high	4 Å²	4	32.1 Å²	32.1	2%	0.021	17%	0.171	C	C	.	.	H	α-helix	trans	-68.8	-28.6	-170.8	69.8	178	0	0	0	112.9	L38 V178 A225 L226 S231 I232 L235 L237 Y373	L38-I229 HydrophobicContact CD2-CG2 4.32Å; V178-I229 HydrophobicContact CG2-CG2 4.09Å; A225-I229 WeakPolarHBondContact O-CG2 3.41Å; A225-I229 PolarHBondContact O-N 2.89Å; L226-I229 HydrophobicContact CD2-CD1 3.99Å; L226-I229 PolarHBondContact O-N 2.75Å; I229-S231 PolarHBondContact O-N 3.28Å; I229-I232 PolarHBondContact O-N 3.45Å; I229-L235 HydrophobicContact CB-CD2 3.83Å; I229-L235 HydrophobicContact CB-CG 4.18Å; I229-L235 HydrophobicContact CG2-CD2 3.63Å; I229-L235 HydrophobicContact CG2-CG 4.22Å; I229-L237 HydrophobicContact CD1-CB 3.38Å; I229-L237 HydrophobicContact CD1-CD1 3.75Å; I229-L237 HydrophobicContact CD1-CG 4.21Å; I229-Y373 HydrophobicContact CD1-CD1 3.73Å; I229-Y373 HydrophobicContact CD1-CE1 4.36Å; I229-Y373 HydrophobicContact CG1-CD1 4.37Å
230	E	94.4	Very high	96.4	Very high	92 Å²	92	32.1 Å²	32.1	43%	0.43	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-25.8	179	-81.8	176.8	-176.4	0	0	113.2	R65 L226 I228 I232 Y373	R65-E230 IonicContact CZ-OE1 3.49Å; R65-E230 IonicContact NE-OE1 3.38Å; R65-E230 IonicContact NH2-OE1 3.62Å; R65-E230 PolarHBondContact NH2-OE1 2.77Å; R65-E230 IonicContact NH2-OE2 3.72Å; R65-E230 PolarHBondContact NH2-OE2 3.34Å; L226-E230 WeakPolarHBondContact O-CB 3.47Å; L226-E230 VanDerWaalsContact O-CG 3.27Å; L226-E230 WeakPolarHBondContact O-CG 3.23Å; L226-E230 PolarHBondContact O-N 3.27Å; L226-E230 VanDerWaalsContact O-N 3.09Å; I228-E230 VanDerWaalsContact C-N 3.31Å; I228-E230 PolarHBondContact O-N 2.91Å; E230-I232 VanDerWaalsContact C-N 3.26Å; E230-I232 PolarHBondContact O-N 3.06Å; E230-Y373 HydrophobicContact CG-CE1 3.73Å; E230-Y373 PolarHBondContact OE1-OH 2.74Å
231	S	91.9	Very high	96.5	Very high	89 Å²	89	27.3 Å²	27.3	62%	0.622	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-5.8	176.2	72.7	0	0	0	0	113.7	I228 I229	I228-S231 PolarHBondContact O-N 3.1Å; I228-S231 PolarHBondContact O-OG 2.88Å; I229-S231 PolarHBondContact O-N 3.28Å
232	I	94.5	Very high	96.5	Very high	13 Å²	13	27.1 Å²	27.1	7%	0.067	15%	0.148	C	C	.	.	S	Bend	trans	-112.6	116	-171.2	-57.1	172.8	0	0	0	109.2	V178 K182 I228 I229 E230 L235	V178-I232 HydrophobicContact CG1-CD1 3.18Å; K182-I232 HydrophobicContact CB-CD1 4.2Å; K182-I232 HydrophobicContact CD-CD1 4.15Å; K182-I232 HydrophobicContact CD-CG1 4.42Å; K182-I232 HydrophobicContact CG-CD1 4.33Å; I228-I232 HydrophobicContact CG2-CD1 4.3Å; I229-I232 PolarHBondContact O-N 3.45Å; E230-I232 VanDerWaalsContact C-N 3.26Å; E230-I232 PolarHBondContact O-N 3.06Å; I232-L235 HydrophobicContact CB-CB 4.13Å; I232-L235 HydrophobicContact CB-CD2 4.01Å; I232-L235 HydrophobicContact CD1-CD2 3.86Å; I232-L235 HydrophobicContact CG2-CB 3.87Å; I232-L235 HydrophobicContact CG2-CD2 3.99Å
233	P	92.7	Very high	96.6	Very high	90 Å²	90	26.9 Å²	26.9	58%	0.584	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.5	145.9	-180	26.5	-33.7	0	0	0	111.2	R36 L235	R36-P233 PolarHBondContact NH2-O 3.41Å; P233-L235 PolarHBondContact O-N 3.35Å; P233-L235 VanDerWaalsContact O-N 3.13Å
234	N	93.3	Very high	96.6	Very high	47 Å²	47	25.1 Å²	25.1	25%	0.251	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	27.1	175.1	-57.5	-12.6	0	0	0	114.4	S33 R36	S33-N234 WeakPolarHBondContact CB-ND2 3.46Å; S33-N234 PolarHBondContact O-ND2 3.03Å; R36-N234 PolarHBondContact N-O 3.18Å
235	L	97.3	Very high	96.7	Very high	3 Å²	3	21.6 Å²	21.6	2%	0.016	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	121.2	172.5	178	55.2	0	0	0	110.1	R36 L38 V178 L181 I229 I232 P233 P375	R36-L235 HydrophobicContact CB-CD1 3.99Å; L38-L235 HydrophobicContact CB-CD1 4.49Å; V178-L235 HydrophobicContact CG1-CD2 4.28Å; L181-L235 HydrophobicContact CB-CD1 4.35Å; L181-L235 HydrophobicContact CD1-CD1 3.81Å; L181-L235 HydrophobicContact CG-CD1 4.49Å; I229-L235 HydrophobicContact CB-CD2 3.83Å; I229-L235 HydrophobicContact CB-CG 4.18Å; I229-L235 HydrophobicContact CG2-CD2 3.63Å; I229-L235 HydrophobicContact CG2-CG 4.22Å; I232-L235 HydrophobicContact CB-CB 4.13Å; I232-L235 HydrophobicContact CB-CD2 4.01Å; I232-L235 HydrophobicContact CD1-CD2 3.86Å; I232-L235 HydrophobicContact CG2-CB 3.87Å; I232-L235 HydrophobicContact CG2-CD2 3.99Å; P233-L235 PolarHBondContact O-N 3.35Å; P233-L235 VanDerWaalsContact O-N 3.13Å; L235-P375 WeakPolarHBondContact O-CD 3.18Å
236	N	97.9	Very high	96.7	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	155.1	170.3	-58.7	-82.5	0	0	0	110.4	S35 R36 L37 L38 Y373 P375 N376 L401	S35-N236 PolarHBondContact OG-ND2 2.72Å; R36-N236 PolarHBondContact O-N 2.96Å; R36-N236 PolarHBondContact O-ND2 2.77Å; L37-N236 WeakPolarHBondContact CA-O 3.45Å; L37-N236 HydrophobicContact CD1-CB 3.91Å; L38-N236 PolarHBondContact N-O 3.43Å; N236-Y373 CarbonylContact C-O 3.52Å; N236-Y373 VanDerWaalsContact CA-O 3.24Å; N236-Y373 WeakPolarHBondContact CA-O 3.46Å; N236-P375 WeakPolarHBondContact OD1-CD 3.24Å; N236-N376 PolarHBondContact ND2-OD1 3.29Å; N236-N376 PolarHBondContact OD1-N 3.45Å; N236-N376 PolarHBondContact OD1-OD1 2.99Å; N236-L401 HydrophobicContact CB-CD2 4.41Å
237	L	98.6	Very high	96.7	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	135.1	167.7	175.5	157.8	0	0	0	108.8	L38 L40 L66 A225 I229 L239 I372 Y373	L38-L237 HydrophobicContact CD2-CD1 4.26Å; L38-L237 CarbonylContact O-C 3.54Å; L38-L237 VanDerWaalsContact O-CA 3.23Å; L38-L237 WeakPolarHBondContact O-CA 3.35Å; L40-L237 HydrophobicContact CD1-CD1 3.92Å; L40-L237 HydrophobicContact CD1-CG 4.45Å; L40-L237 HydrophobicContact CG-CD1 4.35Å; L40-L237 HydrophobicContact CG-CG 4.47Å; L66-L237 HydrophobicContact CD2-CD2 3.97Å; A225-L237 HydrophobicContact CB-CD1 4.14Å; I229-L237 HydrophobicContact CD1-CB 3.38Å; I229-L237 HydrophobicContact CD1-CD1 3.75Å; I229-L237 HydrophobicContact CD1-CG 4.21Å; L237-L239 HydrophobicContact CD2-CB 4.23Å; L237-I372 CarbonylContact O-C 3.56Å; L237-I372 WeakPolarHBondContact O-CA 3.21Å; L237-Y373 PolarHBondContact N-O 3.38Å; L237-Y373 PolarHBondContact O-N 2.87Å
238	M	98.7	Very high	96.8	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	135.1	166.8	177.8	-179.1	-66.7	0	0	108.5	L37 L38 V39 L40 T240 L370 F371 I394 L397 M398 L401	L37-M238 HydrophobicContact CD1-CB 3.93Å; L38-M238 PolarHBondContact O-N 3.11Å; V39-M238 CarbonylContact C-O 3.51Å; V39-M238 WeakPolarHBondContact CA-O 3.33Å; V39-M238 HydrophobicContact CG2-CB 4.42Å; L40-M238 PolarHBondContact N-O 3.01Å; M238-T240 HydrophobicContact CG-CG2 4.48Å; M238-T240 HydrophobicContact SD-CG2 4.39Å; M238-L370 HydrophobicContact CE-CD1 4.26Å; M238-L370 HydrophobicContact CG-CD1 3.6Å; M238-L370 HydrophobicContact SD-CD1 3.82Å; M238-F371 CarbonylContact C-O 3.45Å; M238-F371 WeakPolarHBondContact CA-O 3.21Å; M238-I394 HydrophobicContact CE-CG2 4.38Å; M238-I394 HydrophobicContact SD-CG2 3.93Å; M238-L397 HydrophobicContact CE-CD2 3.79Å; M238-L397 HydrophobicContact CE-CG 3.76Å; M238-M398 HydrophobicContact CE-CG 3.61Å; M238-M398 HydrophobicContact SD-CG 3.54Å; M238-M398 VanDerWaalsContact SD-CG 3.54Å; M238-M398 HydrophobicContact SD-SD 4.15Å; M238-L401 HydrophobicContact CE-CD1 3.74Å
239	L	98.8	Very high	96.9	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.005	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	123.5	171.9	175.9	73.3	0	0	0	108.6	L40 I42 L45 F63 L66 L222 L237 F371	L40-L239 HydrophobicContact CB-CD1 3.59Å; L40-L239 HydrophobicContact CD1-CD1 4.38Å; L40-L239 WeakPolarHBondContact O-CA 3.45Å; I42-L239 HydrophobicContact CD1-CD1 4.33Å; I42-L239 HydrophobicContact CG1-CD1 3.49Å; I42-L239 VanDerWaalsContact CG1-CD1 3.49Å; L45-L239 HydrophobicContact CD2-CG 4.43Å; F63-L239 HydrophobicContact CD1-CD2 4.02Å; F63-L239 HydrophobicContact CE1-CD2 3.48Å; F63-L239 VanDerWaalsContact CE1-CD2 3.48Å; F63-L239 HydrophobicContact CZ-CD2 4.31Å; L66-L239 HydrophobicContact CD1-CD2 3.63Å; L222-L239 HydrophobicContact CD1-CD2 3.82Å; L222-L239 HydrophobicContact CD2-CD1 4.07Å; L222-L239 HydrophobicContact CD2-CD2 3.88Å; L237-L239 HydrophobicContact CD2-CB 4.23Å; L239-F371 HydrophobicContact CB-CB 4.19Å; L239-F371 HydrophobicContact CB-CD2 4.45Å; L239-F371 HydrophobicContact CD2-CD2 3.93Å; L239-F371 HydrophobicContact CD2-CE2 4.48Å; L239-F371 HydrophobicContact CG-CD2 4.38Å; L239-F371 PolarHBondContact N-O 3.25Å; L239-F371 PolarHBondContact O-N 3.39Å
240	T	98.6	Very high	96.9	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.006	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	-179.4	-178.9	-170	0	0	0	0	110.5	L40 L41 I42 F76 M238 I368	L40-T240 PolarHBondContact O-N 2.82Å; L40-T240 VanDerWaalsContact O-N 3.11Å; L41-T240 WeakPolarHBondContact CA-O 3.2Å; L41-T240 HydrophobicContact CD1-CG2 3.88Å; I42-T240 PolarHBondContact N-O 2.98Å; F76-T240 WeakPolarHBondContact CE1-OG1 3.35Å; F76-T240 VanDerWaalsContact CZ-OG1 3.27Å; F76-T240 WeakPolarHBondContact CZ-OG1 3.33Å; M238-T240 HydrophobicContact CG-CG2 4.48Å; M238-T240 HydrophobicContact SD-CG2 4.39Å; T240-I368 WeakPolarHBondContact OG1-CG2 3.4Å
241	S	98.5	Very high	97	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.15	C	C	.	.			trans	-126.2	176.2	170.7	-169.5	0	0	0	0	111.1	I42 G44 L45 H243 I368	I42-S241 WeakPolarHBondContact O-CA 3.05Å; I42-S241 WeakPolarHBondContact O-CB 3.48Å; I42-S241 PolarHBondContact O-OG 3.24Å; G44-S241 PolarHBondContact N-OG 3.21Å; G44-S241 VanDerWaalsContact N-OG 3.11Å; L45-S241 PolarHBondContact N-OG 2.96Å; L45-S241 VanDerWaalsContact N-OG 3.16Å; S241-H243 WeakPolarHBondContact CB-O 2.87Å; S241-H243 PolarHBondContact OG-N 3.2Å; S241-H243 PolarHBondContact OG-O 3.28Å; S241-I368 VanDerWaalsContact N-CG2 3.28Å
242	D	97.4	Very high	97.1	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.121	C	C	.	.	S	Bend	trans	-91.8	-34.5	167.4	53.5	-5.9	0	0	0	112.7	C84 N87 I88 I368	C84-D242 VanDerWaalsContact CA-OD2 3.24Å; C84-D242 WeakPolarHBondContact CA-OD2 3.41Å; C84-D242 WeakPolarHBondContact CB-OD2 3.48Å; C84-D242 PolarHBondContact SG-OD2 3.41Å; N87-D242 HydrophobicContact CB-CB 3.89Å; N87-D242 WeakPolarHBondContact CB-O 3.35Å; N87-D242 PolarHBondContact OD1-O 3.05Å; I88-D242 HydrophobicContact CG1-CB 4.1Å; D242-I368 VanDerWaalsContact C-CD1 3.42Å; D242-I368 WeakPolarHBondContact O-CD1 3.31Å
243	H	98.1	Very high	97.1	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.132	C	C	.	.			trans	-153	173.6	173.4	52.4	74.6	0	0	0	113.3	D43 G44 A82 E83 C84 D197 S241 H357	D43-H243 IonicContact OD1-CE1 3.79Å; D43-H243 PolarHBondContact OD1-CE1 3.14Å; D43-H243 IonicContact OD1-ND1 3.12Å; D43-H243 IonicContact OD1-NE2 3.41Å; D43-H243 PolarHBondContact OD1-NE2 2.76Å; G44-H243 CarbonylContact C-O 3.44Å; G44-H243 WeakPolarHBondContact CA-O 3.5Å; A82-H243 HydrophobicContact CB-CB 4.39Å; E83-H243 VanDerWaalsContact C-CD2 3.48Å; C84-H243 PolarHBondContact N-CD2 3.41Å; C84-H243 VanDerWaalsContact N-CD2 3.33Å; C84-H243 PolarHBondContact N-NE2 3.23Å; D197-H243 IonicContact OD1-CE1 3.42Å; S241-H243 WeakPolarHBondContact CB-O 2.87Å; S241-H243 PolarHBondContact OG-N 3.2Å; S241-H243 PolarHBondContact OG-O 3.28Å; H243-H357 AromaticContact CD2-ND1 3.85Å; H243-H357 AromaticContact CE1-CD2 3.35Å; H243-H357 PolarHBondContact CE1-CD2 2.64Å; H243-H357 AromaticContact CE1-CE1 3.57Å; H243-H357 AromaticContact CE1-CG 3.35Å; H243-H357 AromaticContact CE1-ND1 3.48Å; H243-H357 PolarHBondContact CE1-ND1 2.76Å; H243-H357 AromaticContact CE1-NE2 3.56Å; H243-H357 AromaticContact ND1-CD2 3.85Å; H243-H357 AromaticContact ND1-CG 3.47Å; H243-H357 AromaticContact ND1-ND1 3.81Å; H243-H357 AromaticContact NE2-CD2 3.98Å; H243-H357 AromaticContact NE2-CE1 3.39Å; H243-H357 PolarHBondContact NE2-CE1 3.48Å; H243-H357 AromaticContact NE2-CG 3.81Å; H243-H357 AromaticContact NE2-ND1 3.42Å; H243-H357 PolarHBondContact NE2-ND1 3.29Å; H243-H357 AromaticContact NE2-NE2 3.78Å
244	G	98.2	Very high	97.2	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.104	C	C	.	.			trans	-91.9	-153.9	165.6	0	0	0	0	0	112.6	H357 D365 M366	G244-H357 WeakPolarHBondContact O-CB 3.29Å; G244-D365 CarbonylContact C-O 3.48Å; G244-D365 VanDerWaalsContact CA-O 3.31Å; G244-D365 WeakPolarHBondContact CA-O 3.31Å; G244-M366 PolarHBondContact N-O 2.83Å
245	M	98.3	Very high	97.2	Very high	4 Å²	4	19.9 Å²	19.9	2%	0.02	11%	0.106	C	C	.	.			trans	-157.9	119.2	-174.6	-179.7	68.4	68.9	0	0	110.8	R46 D197 P205 M356 D365	R46-M245 WeakPolarHBondContact CD-O 3.44Å; R46-M245 PolarHBondContact NH1-O 3.46Å; D197-M245 WeakPolarHBondContact OD1-CE 3.43Å; P205-M245 HydrophobicContact CB-CB 4.07Å; P205-M245 HydrophobicContact CB-CG 3.87Å; P205-M245 WeakPolarHBondContact CB-O 3.37Å; P205-M245 HydrophobicContact CG-CG 4.2Å; P205-M245 WeakPolarHBondContact CG-O 3.44Å; M245-M356 VanDerWaalsContact SD-CA 3.56Å; M245-M356 PolarHBondContact SD-N 3.32Å; M245-D365 PolarHBondContact N-O 3.08Å
246	A	98.3	Very high	97	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	151.6	175.2	0	0	0	0	0	111	G355 M356 Y359 L363 D365 M366	A246-G355 CarbonylContact O-C 3.48Å; A246-G355 WeakPolarHBondContact O-CA 3.31Å; A246-M356 PolarHBondContact N-O 3.46Å; A246-M356 PolarHBondContact O-N 2.91Å; A246-Y359 HydrophobicContact CB-CD2 3.94Å; A246-Y359 HydrophobicContact CB-CE2 3.66Å; A246-L363 HydrophobicContact CB-CD2 4.34Å; A246-D365 HydrophobicContact CB-CB 3.95Å; A246-M366 HydrophobicContact CB-CE 3.9Å; A246-M366 VanDerWaalsContact N-CE 3.32Å
247	T	98.2	Very high	96.6	Very high	44 Å²	44	30 Å²	30	27%	0.27	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	146.4	170.3	-62.9	0	0	0	0	109.3	P205 N333	P205-T247 WeakPolarHBondContact CG-OG1 3.16Å; T247-N333 VanDerWaalsContact O-CA 3.27Å; T247-N333 WeakPolarHBondContact O-CA 3.46Å; T247-N333 PolarHBondContact O-OD1 2.97Å
248	V	97.8	Very high	96.1	Very high	11 Å²	11	31 Å²	31	7%	0.067	15%	0.149	C	C	.	.			trans	-115.7	119.9	172.2	177.1	0	0	0	0	109.1	I335 P353 K354 M356	V248-I335 HydrophobicContact CB-CG2 4.25Å; V248-I335 HydrophobicContact CG1-CB 4.29Å; V248-I335 HydrophobicContact CG1-CD1 3.89Å; V248-I335 HydrophobicContact CG1-CG1 3.74Å; V248-I335 HydrophobicContact CG1-CG2 3.66Å; V248-I335 HydrophobicContact CG2-CG2 3.51Å; V248-P353 WeakPolarHBondContact CB-O 3.27Å; V248-P353 WeakPolarHBondContact CG1-O 3.28Å; V248-K354 PolarHBondContact N-O 3.2Å; V248-M356 HydrophobicContact CG2-CB 3.51Å
249	S	96.7	Very high	95.6	Very high	71 Å²	71	36.5 Å²	36.5	50%	0.497	17%	0.173	S	C	.	.			trans	-131.4	-8.9	178.4	68.9	0	0	0	0	113.6	N333	S249-N333 PolarHBondContact N-O 3.31Å
250	H	97.1	Very high	95.2	Very high	90 Å²	90	38.8 Å²	38.8	42%	0.417	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	158.2	-178.3	-55.5	96.6	0	0	0	112	N333 Y334 I335	H250-N333 PolarHBondContact N-O 2.75Å; H250-Y334 HydrophobicContact CB-CD1 3.43Å; H250-Y334 VanDerWaalsContact CB-CD1 3.43Å; H250-Y334 HydrophobicContact CB-CD2 4.13Å; H250-Y334 HydrophobicContact CB-CE1 3.31Å; H250-Y334 HydrophobicContact CB-CE2 4.02Å; H250-Y334 HydrophobicContact CB-CG 3.85Å; H250-Y334 AromaticContact CG-CZ 3.83Å; H250-Y334 WeakPolarHBondContact O-CA 3.48Å; H250-I335 PolarHBondContact O-N 2.94Å; H250-I335 VanDerWaalsContact O-N 3.08Å
251	Q	95.4	Very high	95	Very high	71 Å²	71	43.7 Å²	43.7	33%	0.332	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	129.7	176.5	-65.5	-179.1	-8	0	0	110.7	I335 H337 D352	Q251-I335 CarbonylContact C-O 3.48Å; Q251-I335 WeakPolarHBondContact CA-O 3.32Å; Q251-I335 HydrophobicContact CG-CD1 4.45Å; Q251-I335 HydrophobicContact CG-CG1 4.13Å; Q251-H337 HydrophobicContact CB-CB 4.02Å; Q251-H337 HydrophobicContact CG-CB 4.29Å; Q251-D352 PolarHBondContact NE2-OD1 3.39Å
252	A	95.3	Very high	94.9	Very high	2 Å²	2	44.2 Å²	44.2	2%	0.017	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	109.6	167.1	0	0	0	0	0	108.5	A254 P297 Y334 I335 F336 H337	A252-A254 PolarHBondContact O-N 3.4Å; A252-P297 HydrophobicContact CB-CG 3.74Å; A252-Y334 HydrophobicContact CB-CD1 4.38Å; A252-I335 PolarHBondContact N-O 3.27Å; A252-F336 HydrophobicContact CB-CD1 3.83Å; A252-F336 HydrophobicContact CB-CE1 4.12Å; A252-F336 WeakPolarHBondContact O-CA 3.43Å; A252-H337 PolarHBondContact O-N 3.41Å
253	H	95	Very high	94.8	Very high	63 Å²	63	44.9 Å²	44.9	29%	0.292	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	93.8	-177	-65.4	-73	0	0	0	111.4	D255 R256 Y257 H337	H253-D255 VanDerWaalsContact C-N 3.3Å; H253-D255 PolarHBondContact O-N 2.94Å; H253-R256 HydrophobicContact CB-CG 4.12Å; H253-R256 PolarHBondContact CD2-NH2 2.94Å; H253-R256 WeakPolarHBondContact O-CB 3.43Å; H253-R256 WeakPolarHBondContact O-CG 3.49Å; H253-R256 PolarHBondContact O-N 3.27Å; H253-Y257 VanDerWaalsContact O-CE2 3.27Å; H253-Y257 WeakPolarHBondContact O-CE2 3.49Å; H253-H337 CarbonylContact C-O 3.54Å; H253-H337 WeakPolarHBondContact CA-O 3.3Å; H253-H337 AromaticContact ND1-ND1 3.76Å
254	A	93.7	Very high	94.5	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-59.7	-36.3	-172.8	0	0	0	0	0	113.3	A252 R256 Y257 F258 L273 F336 H337	A252-A254 PolarHBondContact O-N 3.4Å; A254-R256 PolarHBondContact O-N 3.19Å; A254-Y257 WeakPolarHBondContact O-CD2 3.24Å; A254-Y257 PolarHBondContact O-N 3.43Å; A254-F258 HydrophobicContact CB-CE2 4.18Å; A254-F258 WeakPolarHBondContact O-CD2 2.91Å; A254-F258 WeakPolarHBondContact O-CE2 3.22Å; A254-L273 HydrophobicContact CB-CD1 3.69Å; A254-F336 HydrophobicContact CB-CD1 4.38Å; A254-H337 PolarHBondContact N-O 3.38Å
255	D	93.3	Very high	94.2	Very high	56 Å²	56	54.9 Å²	54.9	30%	0.299	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-56.5	-20.9	-178.8	-55.1	-44.9	0	0	0	113.4	H253 Y257 S338 K339 A340	H253-D255 VanDerWaalsContact C-N 3.3Å; H253-D255 PolarHBondContact O-N 2.94Å; D255-Y257 VanDerWaalsContact C-N 3.29Å; D255-Y257 PolarHBondContact O-N 2.98Å; D255-S338 WeakPolarHBondContact OD1-CB 3.11Å; D255-S338 PolarHBondContact OD1-OG 2.74Å; D255-S338 WeakPolarHBondContact OD2-CA 3.43Å; D255-K339 PolarHBondContact OD1-N 2.76Å; D255-K339 PolarHBondContact OD2-N 2.94Å; D255-A340 PolarHBondContact OD1-N 3.01Å
256	R	92.8	Very high	93.8	Very high	187 Å²	187	55.3 Å²	55.3	71%	0.706	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-73.6	-19.6	179.5	-61	-179.3	-179	178.2	2.1	113.4	H253 A254	H253-R256 HydrophobicContact CB-CG 4.12Å; H253-R256 PolarHBondContact CD2-NH2 2.94Å; H253-R256 WeakPolarHBondContact O-CB 3.43Å; H253-R256 WeakPolarHBondContact O-CG 3.49Å; H253-R256 PolarHBondContact O-N 3.27Å; A254-R256 PolarHBondContact O-N 3.19Å
257	Y	89.1	Confident	93.5	Very high	28 Å²	28	56.2 Å²	56.2	11%	0.11	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-13.5	-170.6	-51.6	-61.9	0	0	0	113.6	H253 A254 D255 L289 Q292 S296 F298	H253-Y257 VanDerWaalsContact O-CE2 3.27Å; H253-Y257 WeakPolarHBondContact O-CE2 3.49Å; A254-Y257 WeakPolarHBondContact O-CD2 3.24Å; A254-Y257 PolarHBondContact O-N 3.43Å; D255-Y257 VanDerWaalsContact C-N 3.29Å; D255-Y257 PolarHBondContact O-N 2.98Å; Y257-L289 HydrophobicContact CG-CD2 4.48Å; Y257-Q292 HydrophobicContact CD1-CB 4.35Å; Y257-Q292 HydrophobicContact CD1-CG 4.41Å; Y257-S296 VanDerWaalsContact CE1-OG 3.28Å; Y257-S296 WeakPolarHBondContact CE1-OG 3.38Å; Y257-S296 PolarHBondContact OH-OG 3.47Å; Y257-F298 HydrophobicContact CD1-CE1 4.2Å; Y257-F298 HydrophobicContact CD1-CZ 4.19Å; Y257-F298 AromaticContact CD2-CE1 3.82Å; Y257-F298 HydrophobicContact CD2-CE1 3.82Å; Y257-F298 HydrophobicContact CD2-CZ 4.32Å; Y257-F298 AromaticContact CE1-CE1 3.87Å; Y257-F298 HydrophobicContact CE1-CE1 3.87Å; Y257-F298 HydrophobicContact CE1-CZ 4.19Å; Y257-F298 HydrophobicContact CE2-CD1 4.3Å; Y257-F298 AromaticContact CE2-CE1 3.5Å; Y257-F298 HydrophobicContact CE2-CE1 3.5Å; Y257-F298 HydrophobicContact CE2-CZ 4.37Å; Y257-F298 HydrophobicContact CG-CE1 4.18Å; Y257-F298 HydrophobicContact CG-CZ 4.26Å; Y257-F298 AromaticContact CZ-CE1 3.51Å
258	F	88	Confident	93.3	Very high	21 Å²	21	54.7 Å²	54.7	9%	0.092	28%	0.276	C	S	.	.			trans	-122.2	149.6	-168.2	-55.4	-67.4	0	0	0	112.7	A254 L263 L273 I275 L289 L328 W341	A254-F258 HydrophobicContact CB-CE2 4.18Å; A254-F258 WeakPolarHBondContact O-CD2 2.91Å; A254-F258 WeakPolarHBondContact O-CE2 3.22Å; F258-L263 HydrophobicContact CB-CD1 3.72Å; F258-L263 HydrophobicContact CD1-CD1 3.85Å; F258-L263 HydrophobicContact CG-CD1 3.84Å; F258-L273 HydrophobicContact CE2-CD1 3.85Å; F258-L273 HydrophobicContact CZ-CD1 4.08Å; F258-I275 HydrophobicContact CE1-CD1 3.62Å; F258-I275 HydrophobicContact CE1-CG1 4.4Å; F258-I275 HydrophobicContact CZ-CD1 3.5Å; F258-I275 HydrophobicContact CZ-CG1 4.34Å; F258-L289 HydrophobicContact CD1-CD2 4.39Å; F258-L289 HydrophobicContact CE1-CD1 3.75Å; F258-L289 HydrophobicContact CE1-CD2 3.65Å; F258-L289 HydrophobicContact CE1-CG 4.2Å; F258-L289 HydrophobicContact CZ-CD1 4.44Å; F258-L289 HydrophobicContact CZ-CD2 3.94Å; F258-L328 HydrophobicContact CZ-CD1 3.97Å; F258-W341 HydrophobicContact CB-CH2 3.88Å; F258-W341 HydrophobicContact CB-CZ3 4.05Å; F258-W341 HydrophobicContact CD2-CH2 4.34Å; F258-W341 AromaticContact CD2-CZ3 3.74Å; F258-W341 HydrophobicContact CD2-CZ3 3.74Å; F258-W341 HydrophobicContact CG-CH2 4.32Å; F258-W341 HydrophobicContact CG-CZ3 4.17Å
259	K	89.8	Confident	93	Very high	117 Å²	117	56.1 Å²	56.1	51%	0.509	28%	0.281	S	S	.	.			trans	-104.8	112.6	158.8	-60.9	-178.2	-166.3	165.2	0	106.7	T261 E262	K259-T261 PolarHBondContact O-N 2.82Å; K259-E262 HydrophobicContact CB-CG 4.04Å; K259-E262 WeakPolarHBondContact CD-OE1 3.27Å; K259-E262 IonicContact NZ-OE1 3.79Å; K259-E262 WeakPolarHBondContact O-CB 3.28Å; K259-E262 PolarHBondContact O-N 3.24Å
260	G	89.1	Confident	92.9	Very high	48 Å²	48	52.8 Å²	52.8	50%	0.495	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-54.6	-27.4	-176.2	0	0	0	0	0	113.9	E262 L263	G260-E262 PolarHBondContact O-N 3.44Å; G260-L263 PolarHBondContact O-N 3.07Å
261	T	94.1	Very high	92.9	Very high	105 Å²	105	48.5 Å²	48.5	64%	0.644	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-64.6	-21.1	176.3	53.5	0	0	0	0	114.6	K259 K278	K259-T261 PolarHBondContact O-N 2.82Å; T261-K278 WeakPolarHBondContact O-CE 3.42Å; T261-K278 PolarHBondContact O-NZ 3.26Å
262	E	96.4	Very high	92.9	Very high	10 Å²	10	45.1 Å²	45.1	5%	0.047	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-92.2	-7.7	-179.2	-62.1	174.7	165.3	0	0	112.7	K259 G260 K278 F281 V285 R288	K259-E262 HydrophobicContact CB-CG 4.04Å; K259-E262 WeakPolarHBondContact CD-OE1 3.27Å; K259-E262 IonicContact NZ-OE1 3.79Å; K259-E262 WeakPolarHBondContact O-CB 3.28Å; K259-E262 PolarHBondContact O-N 3.24Å; G260-E262 PolarHBondContact O-N 3.44Å; E262-K278 PolarHBondContact O-N 3Å; E262-F281 HydrophobicContact CB-CB 3.91Å; E262-F281 HydrophobicContact CB-CD1 4.35Å; E262-F281 HydrophobicContact CB-CD2 3.93Å; E262-F281 HydrophobicContact CB-CG 3.8Å; E262-F281 HydrophobicContact CG-CB 4.33Å; E262-F281 HydrophobicContact CG-CD1 3.85Å; E262-F281 HydrophobicContact CG-CD2 4.06Å; E262-F281 HydrophobicContact CG-CE1 4.16Å; E262-F281 HydrophobicContact CG-CE2 4.38Å; E262-F281 HydrophobicContact CG-CG 3.81Å; E262-F281 HydrophobicContact CG-CZ 4.43Å; E262-V285 HydrophobicContact CB-CG2 4.14Å; E262-R288 VanDerWaalsContact CD-NH2 3.28Å; E262-R288 IonicContact OE1-CZ 2.83Å; E262-R288 IonicContact OE1-NH1 3.38Å; E262-R288 IonicContact OE1-NH2 3.61Å; E262-R288 PolarHBondContact OE1-NH2 2.84Å; E262-R288 IonicContact OE2-CZ 2.69Å; E262-R288 IonicContact OE2-NH1 2.76Å; E262-R288 PolarHBondContact OE2-NH1 3.33Å; E262-R288 IonicContact OE2-NH2 3.68Å; E262-R288 PolarHBondContact OE2-NH2 3.16Å
263	L	95.3	Very high	92.9	Very high	15 Å²	15	45 Å²	45	8%	0.079	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	136.1	-172.3	-57.1	179.9	0	0	0	110.3	F258 G260 V266 I275 P277 V285 W341	F258-L263 HydrophobicContact CB-CD1 3.72Å; F258-L263 HydrophobicContact CD1-CD1 3.85Å; F258-L263 HydrophobicContact CG-CD1 3.84Å; G260-L263 PolarHBondContact O-N 3.07Å; L263-V266 HydrophobicContact CB-CG2 4.5Å; L263-V266 HydrophobicContact CD1-CG2 3.71Å; L263-I275 HydrophobicContact CD2-CG2 3.77Å; L263-P277 HydrophobicContact CD2-CB 4.37Å; L263-P277 HydrophobicContact CD2-CG 4.49Å; L263-V285 HydrophobicContact CD2-CG1 4.11Å; L263-V285 HydrophobicContact CD2-CG2 4.07Å; L263-W341 HydrophobicContact CD1-CH2 3.48Å; L263-W341 VanDerWaalsContact CD1-CH2 3.48Å; L263-W341 HydrophobicContact CD1-CZ2 3.59Å; L263-W341 HydrophobicContact CD1-CZ3 4.38Å
264	D	92.9	Very high	92.8	Very high	110 Å²	110	42 Å²	42	59%	0.588	21%	0.207	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-86.2	-45	169.5	-175.8	59.7	0	0	0	110	W276 K278	D264-W276 PolarHBondContact N-O 3.39Å; D264-K278 HydrophobicContact CB-CG 4.34Å
265	R	90.5	Very high	92.9	Very high	100 Å²	100	42 Å²	42	38%	0.377	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	144.1	-175.2	-163	179.6	-57.1	-171.4	2.1	112.4	F108 W276	F108-R265 HydrophobicContact CE1-CG 3.45Å; F108-R265 VanDerWaalsContact CE1-CG 3.45Å; F108-R265 HydrophobicContact CE2-CG 4.46Å; F108-R265 HydrophobicContact CZ-CG 3.36Å; F108-R265 PolarHBondContact O-NH1 3.07Å; R265-W276 HydrophobicContact CB-CB 4.09Å; R265-W276 HydrophobicContact CB-CE3 4.13Å; R265-W276 HydrophobicContact CG-CE3 4.28Å; R265-W276 PolarHBondContact N-O 3.39Å; R265-W276 VanDerWaalsContact N-O 3.11Å; R265-W276 PolarHBondContact O-N 3.27Å
266	V	91.9	Very high	92.9	Very high	12 Å²	12	42.4 Å²	42.4	7%	0.073	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	131.7	168.3	-179.3	0	0	0	0	108.9	L263 L273 W274 I275 W341	L263-V266 HydrophobicContact CB-CG2 4.5Å; L263-V266 HydrophobicContact CD1-CG2 3.71Å; V266-L273 HydrophobicContact CG1-CD2 4.43Å; V266-W274 CarbonylContact C-O 3.55Å; V266-W274 VanDerWaalsContact CA-O 3.28Å; V266-W274 WeakPolarHBondContact CA-O 3.41Å; V266-I275 HydrophobicContact CG1-CG1 4.18Å; V266-I275 HydrophobicContact CG2-CG1 4.29Å; V266-I275 HydrophobicContact CG2-CG2 4.29Å; V266-W341 HydrophobicContact CB-CB 4.39Å; V266-W341 HydrophobicContact CB-CD2 3.79Å; V266-W341 HydrophobicContact CB-CG 3.69Å; V266-W341 HydrophobicContact CG1-CB 4.24Å; V266-W341 HydrophobicContact CG1-CD2 4.08Å; V266-W341 HydrophobicContact CG1-CE3 4.44Å; V266-W341 HydrophobicContact CG1-CG 3.98Å; V266-W341 HydrophobicContact CG2-CD2 3.96Å; V266-W341 HydrophobicContact CG2-CE3 4.45Å; V266-W341 HydrophobicContact CG2-CG 4.37Å; V266-W341 HydrophobicContact CG2-CH2 4.48Å; V266-W341 HydrophobicContact CG2-CZ2 3.96Å
267	L	91	Very high	93	Very high	20 Å²	20	33.9 Å²	33.9	11%	0.105	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	122.8	166	179.5	63.1	0	0	0	109.1	L104 F108 R269 L273 W274 W276	L104-L267 HydrophobicContact CD1-CD2 3.5Å; L104-L267 HydrophobicContact CD2-CD2 4.1Å; L104-L267 HydrophobicContact CG-CD2 4.36Å; F108-L267 HydrophobicContact CB-CD2 4.39Å; F108-L267 HydrophobicContact CD1-CB 4.01Å; F108-L267 HydrophobicContact CD1-CD2 4.08Å; F108-L267 HydrophobicContact CD2-CB 4.47Å; F108-L267 HydrophobicContact CD2-CD1 3.87Å; F108-L267 HydrophobicContact CD2-CD2 4.38Å; F108-L267 HydrophobicContact CD2-CG 4.47Å; F108-L267 HydrophobicContact CE1-CB 3.56Å; F108-L267 HydrophobicContact CE1-CD2 4.48Å; F108-L267 HydrophobicContact CE1-CG 4.46Å; F108-L267 HydrophobicContact CE2-CB 4.08Å; F108-L267 HydrophobicContact CE2-CD1 3.81Å; F108-L267 HydrophobicContact CE2-CG 4.43Å; F108-L267 HydrophobicContact CG-CB 4.42Å; F108-L267 HydrophobicContact CG-CD1 4.34Å; F108-L267 HydrophobicContact CG-CD2 4.01Å; F108-L267 HydrophobicContact CZ-CB 3.59Å; F108-L267 HydrophobicContact CZ-CD1 4.22Å; F108-L267 HydrophobicContact CZ-CG 4.4Å; L267-R269 HydrophobicContact CD2-CG 4.15Å; L267-R269 HydrophobicContact CG-CG 4.08Å; L267-L273 WeakPolarHBondContact O-CA 3.42Å; L267-W274 HydrophobicContact CB-CB 4.1Å; L267-W274 PolarHBondContact N-O 2.69Å; L267-W274 PolarHBondContact O-N 2.88Å; L267-W276 HydrophobicContact CB-CZ3 4.44Å
268	N	93.4	Very high	93.4	Very high	11 Å²	11	36 Å²	36	6%	0.059	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	115.2	172.7	-173.8	-2.4	0	0	0	110.2	G270 L273 F336 W341 L343	N268-G270 PolarHBondContact OD1-N 3.06Å; N268-L273 HydrophobicContact CB-CD2 3.58Å; N268-L273 VanDerWaalsContact CG-CD2 3.44Å; N268-L273 WeakPolarHBondContact OD1-CD2 3.32Å; N268-F336 PolarHBondContact ND2-O 3.09Å; N268-F336 VanDerWaalsContact ND2-O 3.09Å; N268-W341 HydrophobicContact CB-CB 4.43Å; N268-W341 VanDerWaalsContact CB-O 3.26Å; N268-W341 WeakPolarHBondContact CB-O 3.43Å; N268-W341 PolarHBondContact ND2-O 3.16Å; N268-L343 WeakPolarHBondContact O-CD1 3.34Å
269	R	92.7	Very high	93.7	Very high	42 Å²	42	40.3 Å²	40.3	16%	0.158	21%	0.213	C	C	.	.			trans	-103.8	6.6	176.1	-62	-63.4	-59.7	-172.8	8.2	112.7	E83 L104 P105 L267 S271 T272	E83-R269 IonicContact OE1-CZ 2.83Å; E83-R269 IonicContact OE1-NE 2.72Å; E83-R269 PolarHBondContact OE1-NE 3.41Å; E83-R269 IonicContact OE1-NH2 3.51Å; E83-R269 PolarHBondContact OE1-NH2 2.58Å; E83-R269 VanDerWaalsContact OE1-NH2 3.12Å; E83-R269 IonicContact OE2-CZ 2.74Å; E83-R269 IonicContact OE2-NH2 3.33Å; E83-R269 PolarHBondContact OE2-NH2 3.05Å; L104-R269 HydrophobicContact CD2-CG 4.22Å; P105-R269 VanDerWaalsContact CG-CZ 3.42Å; L267-R269 HydrophobicContact CD2-CG 4.15Å; L267-R269 HydrophobicContact CG-CG 4.08Å; R269-S271 PolarHBondContact O-N 2.83Å; R269-T272 WeakPolarHBondContact CB-OG1 3.31Å; R269-T272 PolarHBondContact N-O 3.44Å
270	G	94.6	Very high	94	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.218	C	C	.	.	S	Bend	trans	83.2	-65.4	-177.7	0	0	0	0	0	110.6	N268 I335 F336 L343	N268-G270 PolarHBondContact OD1-N 3.06Å; G270-I335 CarbonylContact O-C 3.53Å; G270-I335 WeakPolarHBondContact O-CA 3.21Å; G270-F336 VanDerWaalsContact O-CD2 3.31Å; G270-F336 WeakPolarHBondContact O-CD2 3.28Å; G270-F336 PolarHBondContact O-N 3.22Å; G270-L343 VanDerWaalsContact N-CD1 3.28Å
271	S	96.3	Very high	94.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.208	C	C	.	.	S	Bend	trans	-75.6	-25.4	175	56.6	0	0	0	0	113.3	R269 A330 H357 G358	R269-S271 PolarHBondContact O-N 2.83Å; S271-A330 WeakPolarHBondContact O-CB 3.44Å; S271-A330 PolarHBondContact O-N 3.16Å; S271-H357 WeakPolarHBondContact CB-O 3.29Å; S271-H357 PolarHBondContact OG-O 3.04Å; S271-G358 WeakPolarHBondContact OG-CA 3.31Å; S271-G358 PolarHBondContact OG-O 2.04Å
272	T	95.8	Very high	94.4	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	148.3	-179.2	59.7	0	0	0	0	113	R269 W274 L328 I329 G358	R269-T272 WeakPolarHBondContact CB-OG1 3.31Å; R269-T272 PolarHBondContact N-O 3.44Å; T272-W274 PolarHBondContact OG1-NE1 3.05Å; T272-L328 CarbonylContact C-O 3.59Å; T272-L328 WeakPolarHBondContact CA-O 3.26Å; T272-L328 WeakPolarHBondContact CB-O 3.06Å; T272-I329 HydrophobicContact CG2-CG1 4.1Å; T272-I329 HydrophobicContact CG2-CG2 4.44Å; T272-G358 WeakPolarHBondContact CG2-O 3.15Å
273	L	95.3	Very high	94.3	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	125.2	164	-63.6	-174.7	0	0	0	109.7	A254 F258 V266 L267 N268 I275 L328 F336	A254-L273 HydrophobicContact CB-CD1 3.69Å; F258-L273 HydrophobicContact CE2-CD1 3.85Å; F258-L273 HydrophobicContact CZ-CD1 4.08Å; V266-L273 HydrophobicContact CG1-CD2 4.43Å; L267-L273 WeakPolarHBondContact O-CA 3.42Å; N268-L273 HydrophobicContact CB-CD2 3.58Å; N268-L273 VanDerWaalsContact CG-CD2 3.44Å; N268-L273 WeakPolarHBondContact OD1-CD2 3.32Å; L273-I275 HydrophobicContact CB-CD1 4.05Å; L273-I275 HydrophobicContact CB-CG1 4.11Å; L273-L328 HydrophobicContact CB-CB 4.12Å; L273-L328 HydrophobicContact CB-CG 4.39Å; L273-L328 HydrophobicContact CD1-CD1 4.2Å; L273-L328 PolarHBondContact N-O 3.14Å; L273-L328 PolarHBondContact O-N 3.22Å; L273-F336 HydrophobicContact CD1-CB 4.28Å; L273-F336 HydrophobicContact CD1-CD1 3.77Å; L273-F336 HydrophobicContact CD1-CD2 4.39Å; L273-F336 HydrophobicContact CD1-CE1 4.13Å; L273-F336 HydrophobicContact CD1-CG 3.9Å; L273-F336 HydrophobicContact CD2-CB 3.76Å; L273-F336 HydrophobicContact CD2-CD2 4.09Å; L273-F336 HydrophobicContact CD2-CG 3.93Å; L273-F336 HydrophobicContact CG-CB 3.97Å; L273-F336 HydrophobicContact CG-CD1 3.92Å; L273-F336 HydrophobicContact CG-CD2 3.61Å; L273-F336 HydrophobicContact CG-CE1 4.28Å; L273-F336 HydrophobicContact CG-CE2 3.98Å; L273-F336 HydrophobicContact CG-CG 3.56Å; L273-F336 HydrophobicContact CG-CZ 4.3Å
274	W	93.7	Very high	94.3	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	116	176	-58.6	57.2	0	0	0	107.9	F80 P81 I103 L104 V266 L267 T272 W276 L323 P324 L327	F80-W274 HydrophobicContact CE1-CH2 4.21Å; F80-W274 HydrophobicContact CE1-CZ2 4.05Å; F80-W274 HydrophobicContact CZ-CZ2 4.35Å; P81-W274 HydrophobicContact CG-CZ2 4.28Å; I103-W274 HydrophobicContact CD1-CH2 3.67Å; I103-W274 HydrophobicContact CD1-CZ3 4.02Å; I103-W274 HydrophobicContact CG1-CH2 3.71Å; I103-W274 HydrophobicContact CG1-CZ3 4.27Å; I103-W274 HydrophobicContact CG2-CZ3 4.34Å; L104-W274 HydrophobicContact CD1-CD2 4Å; L104-W274 HydrophobicContact CD1-CE3 3.82Å; L104-W274 HydrophobicContact CD1-CZ3 4.16Å; L104-W274 HydrophobicContact CD2-CD2 4.23Å; L104-W274 HydrophobicContact CD2-CH2 4.43Å; L104-W274 HydrophobicContact CD2-CZ2 3.91Å; L104-W274 HydrophobicContact CG-CD2 4.46Å; L104-W274 HydrophobicContact CG-CE3 4.4Å; L104-W274 HydrophobicContact CG-CH2 4.37Å; L104-W274 HydrophobicContact CG-CZ2 4.33Å; L104-W274 HydrophobicContact CG-CZ3 4.36Å; V266-W274 CarbonylContact C-O 3.55Å; V266-W274 VanDerWaalsContact CA-O 3.28Å; V266-W274 WeakPolarHBondContact CA-O 3.41Å; L267-W274 HydrophobicContact CB-CB 4.1Å; L267-W274 PolarHBondContact N-O 2.69Å; L267-W274 PolarHBondContact O-N 2.88Å; T272-W274 PolarHBondContact OG1-NE1 3.05Å; W274-W276 HydrophobicContact CB-CH2 3.73Å; W274-W276 HydrophobicContact CB-CZ3 3.54Å; W274-W276 HydrophobicContact CE3-CH2 4.32Å; W274-W276 VanDerWaalsContact O-CZ3 3.3Å; W274-W276 WeakPolarHBondContact O-CZ3 3.24Å; W274-L323 HydrophobicContact CH2-CD2 3.75Å; W274-L323 HydrophobicContact CZ3-CD2 3.87Å; W274-P324 HydrophobicContact CB-CB 4.08Å; W274-P324 HydrophobicContact CB-CG 3.79Å; W274-P324 HydrophobicContact CD2-CG 4.03Å; W274-P324 HydrophobicContact CE3-CB 4.39Å; W274-P324 HydrophobicContact CE3-CG 3.68Å; W274-P324 HydrophobicContact CG-CG 4.18Å; W274-P324 HydrophobicContact CZ3-CG 4.4Å; W274-L327 HydrophobicContact CD2-CD1 4.14Å; W274-L327 HydrophobicContact CG-CD1 4.23Å; W274-L327 HydrophobicContact CZ2-CD1 4.23Å
275	I	94.2	Very high	94.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	124.4	-164.4	-58.4	153.3	0	0	0	109.4	F258 L263 V266 L273 P277 L289 P325 V326 L328	F258-I275 HydrophobicContact CE1-CD1 3.62Å; F258-I275 HydrophobicContact CE1-CG1 4.4Å; F258-I275 HydrophobicContact CZ-CD1 3.5Å; F258-I275 HydrophobicContact CZ-CG1 4.34Å; L263-I275 HydrophobicContact CD2-CG2 3.77Å; V266-I275 HydrophobicContact CG1-CG1 4.18Å; V266-I275 HydrophobicContact CG2-CG1 4.29Å; V266-I275 HydrophobicContact CG2-CG2 4.29Å; L273-I275 HydrophobicContact CB-CD1 4.05Å; L273-I275 HydrophobicContact CB-CG1 4.11Å; I275-P277 HydrophobicContact CG2-CG 4.24Å; I275-P277 WeakPolarHBondContact O-CD 3.46Å; I275-L289 HydrophobicContact CD1-CD1 4.32Å; I275-P325 WeakPolarHBondContact O-CD 3.2Å; I275-V326 HydrophobicContact CB-CB 4.1Å; I275-V326 WeakPolarHBondContact CB-O 3.26Å; I275-V326 HydrophobicContact CD1-CG1 4.12Å; I275-V326 HydrophobicContact CG2-CB 4.47Å; I275-V326 PolarHBondContact N-O 3.3Å; I275-V326 PolarHBondContact O-N 2.78Å; I275-L328 HydrophobicContact CD1-CD1 4.09Å; I275-L328 HydrophobicContact CD1-CG 3.78Å
276	W	93.8	Very high	94.7	Very high	63 Å²	63	40.1 Å²	40.1	24%	0.239	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	96.5	169.6	-66.1	-99.9	0	0	0	108.4	F108 D264 R265 L267 W274 P324	F108-W276 AromaticContact CD1-CH2 3.86Å; F108-W276 HydrophobicContact CD1-CH2 3.86Å; F108-W276 AromaticContact CD1-CZ3 3.87Å; F108-W276 HydrophobicContact CD1-CZ3 3.87Å; F108-W276 HydrophobicContact CE1-CE3 4.09Å; F108-W276 AromaticContact CE1-CH2 3.94Å; F108-W276 HydrophobicContact CE1-CH2 3.94Å; F108-W276 AromaticContact CE1-CZ3 3.44Å; F108-W276 HydrophobicContact CE1-CZ3 3.44Å; F108-W276 VanDerWaalsContact CE1-CZ3 3.44Å; D264-W276 PolarHBondContact N-O 3.39Å; R265-W276 HydrophobicContact CB-CB 4.09Å; R265-W276 HydrophobicContact CB-CE3 4.13Å; R265-W276 HydrophobicContact CG-CE3 4.28Å; R265-W276 PolarHBondContact N-O 3.39Å; R265-W276 VanDerWaalsContact N-O 3.11Å; R265-W276 PolarHBondContact O-N 3.27Å; L267-W276 HydrophobicContact CB-CZ3 4.44Å; W274-W276 HydrophobicContact CB-CH2 3.73Å; W274-W276 HydrophobicContact CB-CZ3 3.54Å; W274-W276 HydrophobicContact CE3-CH2 4.32Å; W274-W276 VanDerWaalsContact O-CZ3 3.3Å; W274-W276 WeakPolarHBondContact O-CZ3 3.24Å; W276-P324 HydrophobicContact CD2-CB 4.03Å; W276-P324 HydrophobicContact CE3-CB 4.22Å; W276-P324 HydrophobicContact CH2-CB 3.95Å; W276-P324 HydrophobicContact CZ2-CB 3.74Å; W276-P324 HydrophobicContact CZ3-CB 4.17Å
277	P	95.8	Very high	94.9	Very high	9 Å²	9	43.5 Å²	43.5	6%	0.058	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	158.2	168.6	-19.1	34.4	0	0	0	110.6	L263 I275 E282 V285 V326	L263-P277 HydrophobicContact CD2-CB 4.37Å; L263-P277 HydrophobicContact CD2-CG 4.49Å; I275-P277 HydrophobicContact CG2-CG 4.24Å; I275-P277 WeakPolarHBondContact O-CD 3.46Å; P277-E282 HydrophobicContact CB-CB 4.22Å; P277-E282 HydrophobicContact CG-CB 4.45Å; P277-E282 HydrophobicContact CG-CG 4.3Å; P277-V285 HydrophobicContact CB-CB 4.23Å; P277-V285 HydrophobicContact CB-CG2 4.11Å; P277-V285 HydrophobicContact CG-CB 3.97Å; P277-V285 HydrophobicContact CG-CG1 3.96Å; P277-V285 HydrophobicContact CG-CG2 4.36Å; P277-V326 HydrophobicContact CG-CG2 4.13Å
278	K	95.9	Very high	95	Very high	73 Å²	73	45 Å²	45	32%	0.317	22%	0.221	S	C	.	.			trans	-64.6	145.3	163.2	-59.2	173.2	176.2	172.1	0	109	T261 E262 D264 E280 F281 E282	T261-K278 WeakPolarHBondContact O-CE 3.42Å; T261-K278 PolarHBondContact O-NZ 3.26Å; E262-K278 PolarHBondContact O-N 3Å; D264-K278 HydrophobicContact CB-CG 4.34Å; K278-E280 WeakPolarHBondContact CB-OE2 3.38Å; K278-E280 PolarHBondContact O-N 3.5Å; K278-E280 VanDerWaalsContact O-N 3.09Å; K278-F281 HydrophobicContact CB-CD2 4.1Å; K278-F281 HydrophobicContact CD-CD2 4.35Å; K278-F281 HydrophobicContact CD-CE2 4.49Å; K278-F281 PolarHBondContact O-N 2.81Å; K278-E282 PolarHBondContact O-N 3.05Å
279	P	94.1	Very high	95.2	Very high	111 Å²	111	44.5 Å²	44.5	72%	0.721	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	-51.8	-39	-171.9	-29.6	36	0	0	0	114.5	F281	P279-F281 PolarHBondContact O-N 2.6Å
280	E	96.4	Very high	95.3	Very high	132 Å²	132	46.1 Å²	46.1	62%	0.617	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-70.6	-16.6	179.7	69.7	-83.4	-164.3	0	0	114.3	K278	K278-E280 WeakPolarHBondContact CB-OE2 3.38Å; K278-E280 PolarHBondContact O-N 3.5Å; K278-E280 VanDerWaalsContact O-N 3.09Å
281	F	96.9	Very high	95.3	Very high	63 Å²	63	51.9 Å²	51.9	28%	0.276	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-109.8	-5.5	-179.8	-63.6	-66.2	0	0	0	114	E262 K278 P279 N283 N284 V285	E262-F281 HydrophobicContact CB-CB 3.91Å; E262-F281 HydrophobicContact CB-CD1 4.35Å; E262-F281 HydrophobicContact CB-CD2 3.93Å; E262-F281 HydrophobicContact CB-CG 3.8Å; E262-F281 HydrophobicContact CG-CB 4.33Å; E262-F281 HydrophobicContact CG-CD1 3.85Å; E262-F281 HydrophobicContact CG-CD2 4.06Å; E262-F281 HydrophobicContact CG-CE1 4.16Å; E262-F281 HydrophobicContact CG-CE2 4.38Å; E262-F281 HydrophobicContact CG-CG 3.81Å; E262-F281 HydrophobicContact CG-CZ 4.43Å; K278-F281 HydrophobicContact CB-CD2 4.1Å; K278-F281 HydrophobicContact CD-CD2 4.35Å; K278-F281 HydrophobicContact CD-CE2 4.49Å; K278-F281 PolarHBondContact O-N 2.81Å; P279-F281 PolarHBondContact O-N 2.6Å; F281-N283 PolarHBondContact O-N 3.49Å; F281-N284 WeakPolarHBondContact O-CB 3.42Å; F281-N284 PolarHBondContact O-N 2.51Å; F281-V285 HydrophobicContact CB-CG2 4.24Å; F281-V285 WeakPolarHBondContact O-CG2 3.48Å; F281-V285 PolarHBondContact O-N 3.38Å
282	E	94.7	Very high	95.2	Very high	78 Å²	78	55.6 Å²	55.6	36%	0.364	28%	0.276	S	S	.	.	H	α-helix	trans	-51.5	-55.6	-173.2	-172.3	-179.8	129.6	0	0	113.2	P277 K278 N284 V285 Y286 P325	P277-E282 HydrophobicContact CB-CB 4.22Å; P277-E282 HydrophobicContact CG-CB 4.45Å; P277-E282 HydrophobicContact CG-CG 4.3Å; K278-E282 PolarHBondContact O-N 3.05Å; E282-N284 VanDerWaalsContact C-N 3.29Å; E282-N284 PolarHBondContact O-N 2.86Å; E282-V285 PolarHBondContact O-N 3.41Å; E282-Y286 WeakPolarHBondContact O-CB 3.44Å; E282-Y286 PolarHBondContact O-N 3.46Å; E282-P325 HydrophobicContact CG-CB 4.07Å
283	N	94.5	Very high	95.1	Very high	121 Å²	121	58.4 Å²	58.4	65%	0.647	29%	0.29	S	S	*	.	H	α-helix	trans	-62.2	-35.3	178.2	-74.4	-33.8	0	0	0	112.8	F281 N287	F281-N283 PolarHBondContact O-N 3.49Å; N283-N287 VanDerWaalsContact O-CB 3.26Å; N283-N287 WeakPolarHBondContact O-CB 3.46Å; N283-N287 PolarHBondContact O-N 2.84Å; N283-N287 PolarHBondContact O-ND2 3.14Å
284	N	95.2	Very high	95	Very high	80 Å²	80	63.2 Å²	63.2	43%	0.428	32%	0.323	S	S	.	.	H	α-helix	trans	-69	-47.1	179.2	-175.5	-22.7	0	0	0	110.8	F281 E282 R288	F281-N284 WeakPolarHBondContact O-CB 3.42Å; F281-N284 PolarHBondContact O-N 2.51Å; E282-N284 VanDerWaalsContact C-N 3.29Å; E282-N284 PolarHBondContact O-N 2.86Å; N284-R288 VanDerWaalsContact O-CB 3.23Å; N284-R288 WeakPolarHBondContact O-CB 3.37Å; N284-R288 PolarHBondContact O-N 3.29Å; N284-R288 PolarHBondContact OD1-NH2 2.96Å
285	V	96.5	Very high	95	Very high	3 Å²	3	71.7 Å²	71.7	2%	0.018	36%	0.36	C	S	.	.	H	α-helix	trans	-60.7	-49.3	177.2	172.7	0	0	0	0	110.1	E262 L263 P277 F281 E282 R288 L289	E262-V285 HydrophobicContact CB-CG2 4.14Å; L263-V285 HydrophobicContact CD2-CG1 4.11Å; L263-V285 HydrophobicContact CD2-CG2 4.07Å; P277-V285 HydrophobicContact CB-CB 4.23Å; P277-V285 HydrophobicContact CB-CG2 4.11Å; P277-V285 HydrophobicContact CG-CB 3.97Å; P277-V285 HydrophobicContact CG-CG1 3.96Å; P277-V285 HydrophobicContact CG-CG2 4.36Å; F281-V285 HydrophobicContact CB-CG2 4.24Å; F281-V285 WeakPolarHBondContact O-CG2 3.48Å; F281-V285 PolarHBondContact O-N 3.38Å; E282-V285 PolarHBondContact O-N 3.41Å; V285-R288 PolarHBondContact O-N 2.98Å; V285-L289 HydrophobicContact CG1-CD1 3.81Å; V285-L289 WeakPolarHBondContact O-CD1 3.46Å; V285-L289 VanDerWaalsContact O-CG 3.28Å; V285-L289 WeakPolarHBondContact O-CG 3.09Å; V285-L289 PolarHBondContact O-N 3.35Å
286	Y	96	Very high	95	Very high	24 Å²	24	72.6 Å²	72.6	9%	0.094	37%	0.366	C	S	.	.	H	α-helix	trans	-58.6	-53.5	178.7	179.1	-103.9	0	0	0	112.3	E282 R288 L289 L290 V300 N302 T305 V326	E282-Y286 WeakPolarHBondContact O-CB 3.44Å; E282-Y286 PolarHBondContact O-N 3.46Å; Y286-R288 VanDerWaalsContact C-N 3.3Å; Y286-R288 PolarHBondContact O-N 3.23Å; Y286-L289 PolarHBondContact O-N 3.48Å; Y286-L290 HydrophobicContact CE1-CD2 4.21Å; Y286-L290 WeakPolarHBondContact O-CB 3.42Å; Y286-L290 PolarHBondContact O-N 3.38Å; Y286-V300 HydrophobicContact CD2-CG1 3.92Å; Y286-V300 HydrophobicContact CE2-CG1 3.77Å; Y286-N302 HydrophobicContact CD2-CB 3.99Å; Y286-N302 HydrophobicContact CE2-CB 3.59Å; Y286-T305 WeakPolarHBondContact OH-CG2 3.43Å; Y286-V326 HydrophobicContact CD2-CG1 4.44Å; Y286-V326 HydrophobicContact CD2-CG2 4.1Å
287	N	95.2	Very high	95.1	Very high	82 Å²	82	70.8 Å²	70.8	44%	0.439	36%	0.363	S	S	.	.	H	α-helix	trans	-62.2	-37.4	-178.8	-73.4	-30.1	0	0	0	112.5	N283 L290 I291	N283-N287 VanDerWaalsContact O-CB 3.26Å; N283-N287 WeakPolarHBondContact O-CB 3.46Å; N283-N287 PolarHBondContact O-N 2.84Å; N283-N287 PolarHBondContact O-ND2 3.14Å; N287-L290 PolarHBondContact O-N 3.33Å; N287-I291 VanDerWaalsContact O-CG1 3.32Å; N287-I291 WeakPolarHBondContact O-CG1 3.43Å; N287-I291 PolarHBondContact O-N 2.71Å
288	R	94.9	Very high	95.2	Very high	51 Å²	51	70.5 Å²	70.5	19%	0.192	36%	0.361	C	S	.	.	H	α-helix	trans	-61.3	-47.7	175.6	-175.3	-172.9	-52.1	157.2	7.8	111.3	E262 N284 V285 Y286 L290 I291 Q292	E262-R288 VanDerWaalsContact CD-NH2 3.28Å; E262-R288 IonicContact OE1-CZ 2.83Å; E262-R288 IonicContact OE1-NH1 3.38Å; E262-R288 IonicContact OE1-NH2 3.61Å; E262-R288 PolarHBondContact OE1-NH2 2.84Å; E262-R288 IonicContact OE2-CZ 2.69Å; E262-R288 IonicContact OE2-NH1 2.76Å; E262-R288 PolarHBondContact OE2-NH1 3.33Å; E262-R288 IonicContact OE2-NH2 3.68Å; E262-R288 PolarHBondContact OE2-NH2 3.16Å; N284-R288 VanDerWaalsContact O-CB 3.23Å; N284-R288 WeakPolarHBondContact O-CB 3.37Å; N284-R288 PolarHBondContact O-N 3.29Å; N284-R288 PolarHBondContact OD1-NH2 2.96Å; V285-R288 PolarHBondContact O-N 2.98Å; Y286-R288 VanDerWaalsContact C-N 3.3Å; Y286-R288 PolarHBondContact O-N 3.23Å; R288-L290 VanDerWaalsContact C-N 3.34Å; R288-I291 PolarHBondContact O-N 3.31Å; R288-Q292 VanDerWaalsContact O-CG 3.32Å; R288-Q292 WeakPolarHBondContact O-CG 3.31Å; R288-Q292 PolarHBondContact O-N 3.35Å; R288-Q292 VanDerWaalsContact O-N 3.15Å
289	L	96.5	Very high	95.3	Very high	1 Å²	1	69.3 Å²	69.3	1%	0.005	36%	0.36	C	S	.	.	H	α-helix	trans	-64.9	-40.9	179.1	-66.5	163.9	0	0	0	111.3	Y257 F258 I275 V285 Y286 I291 Q292 Q293 F298 V300 V326 L328	Y257-L289 HydrophobicContact CG-CD2 4.48Å; F258-L289 HydrophobicContact CD1-CD2 4.39Å; F258-L289 HydrophobicContact CE1-CD1 3.75Å; F258-L289 HydrophobicContact CE1-CD2 3.65Å; F258-L289 HydrophobicContact CE1-CG 4.2Å; F258-L289 HydrophobicContact CZ-CD1 4.44Å; F258-L289 HydrophobicContact CZ-CD2 3.94Å; I275-L289 HydrophobicContact CD1-CD1 4.32Å; V285-L289 HydrophobicContact CG1-CD1 3.81Å; V285-L289 WeakPolarHBondContact O-CD1 3.46Å; V285-L289 VanDerWaalsContact O-CG 3.28Å; V285-L289 WeakPolarHBondContact O-CG 3.09Å; V285-L289 PolarHBondContact O-N 3.35Å; Y286-L289 PolarHBondContact O-N 3.48Å; L289-I291 VanDerWaalsContact C-N 3.3Å; L289-I291 PolarHBondContact O-N 3.41Å; L289-Q292 CarbonylContact O-C 3.46Å; L289-Q292 WeakPolarHBondContact O-CA 3.34Å; L289-Q292 PolarHBondContact O-N 3.39Å; L289-Q293 PolarHBondContact O-N 3.42Å; L289-F298 HydrophobicContact CD2-CZ 4.48Å; L289-V300 HydrophobicContact CB-CG1 4.04Å; L289-V300 HydrophobicContact CB-CG2 3.83Å; L289-V326 HydrophobicContact CD1-CG1 3.65Å; L289-L328 HydrophobicContact CD1-CD2 4.25Å; L289-L328 HydrophobicContact CD2-CD1 4.22Å
290	L	95.5	Very high	95.4	Very high	76 Å²	76	64.3 Å²	64.3	40%	0.398	33%	0.327	S	S	.	.	H	α-helix	trans	-59.7	-40.4	177.7	-171.8	65	0	0	0	111.9	Y286 N287 R288 Q292 Q293	Y286-L290 HydrophobicContact CE1-CD2 4.21Å; Y286-L290 WeakPolarHBondContact O-CB 3.42Å; Y286-L290 PolarHBondContact O-N 3.38Å; N287-L290 PolarHBondContact O-N 3.33Å; R288-L290 VanDerWaalsContact C-N 3.34Å; L290-Q292 VanDerWaalsContact C-N 3.35Å; L290-Q293 WeakPolarHBondContact O-CB 3.45Å; L290-Q293 PolarHBondContact O-N 3.31Å
291	I	94.2	Very high	95.4	Very high	122 Å²	122	59.2 Å²	59.2	63%	0.626	30%	0.302	S	S	*	.	H	α-helix	trans	-64.5	-39.9	173.4	-67.8	164.7	0	0	0	111.2	N287 R288 L289 S294	N287-I291 VanDerWaalsContact O-CG1 3.32Å; N287-I291 WeakPolarHBondContact O-CG1 3.43Å; N287-I291 PolarHBondContact O-N 2.71Å; R288-I291 PolarHBondContact O-N 3.31Å; L289-I291 VanDerWaalsContact C-N 3.3Å; L289-I291 PolarHBondContact O-N 3.41Å; I291-S294 PolarHBondContact O-OG 3.05Å
292	Q	93.3	Very high	95.2	Very high	77 Å²	77	57.6 Å²	57.6	36%	0.36	30%	0.297	S	S	.	.	H	α-helix	trans	-73.5	-24.5	-178.8	-67	-60.7	-29.2	0	0	114	Y257 R288 L289 L290 S294 K295 S296 F298	Y257-Q292 HydrophobicContact CD1-CB 4.35Å; Y257-Q292 HydrophobicContact CD1-CG 4.41Å; R288-Q292 VanDerWaalsContact O-CG 3.32Å; R288-Q292 WeakPolarHBondContact O-CG 3.31Å; R288-Q292 PolarHBondContact O-N 3.35Å; R288-Q292 VanDerWaalsContact O-N 3.15Å; L289-Q292 CarbonylContact O-C 3.46Å; L289-Q292 WeakPolarHBondContact O-CA 3.34Å; L289-Q292 PolarHBondContact O-N 3.39Å; L290-Q292 VanDerWaalsContact C-N 3.35Å; Q292-S294 PolarHBondContact O-N 2.8Å; Q292-K295 CarbonylContact O-C 3.54Å; Q292-K295 PolarHBondContact O-N 2.9Å; Q292-S296 WeakPolarHBondContact O-CB 3.43Å; Q292-S296 PolarHBondContact O-N 3.36Å; Q292-S296 VanDerWaalsContact O-N 3.16Å; Q292-S296 PolarHBondContact O-OG 3.13Å; Q292-F298 HydrophobicContact CB-CZ 4.42Å
293	Q	94.5	Very high	94.7	Very high	59 Å²	59	57.4 Å²	57.4	28%	0.276	30%	0.304	S	S	.	.	H	α-helix	trans	-50.8	-42.7	-179.5	175.7	171.6	-49	0	0	112.4	L289 L290 K295 S296 F298 V300	L289-Q293 PolarHBondContact O-N 3.42Å; L290-Q293 WeakPolarHBondContact O-CB 3.45Å; L290-Q293 PolarHBondContact O-N 3.31Å; Q293-K295 PolarHBondContact O-N 2.96Å; Q293-S296 PolarHBondContact O-N 3.07Å; Q293-S296 VanDerWaalsContact O-O 3.06Å; Q293-F298 WeakPolarHBondContact CG-O 3.33Å; Q293-V300 HydrophobicContact CB-CG2 4.08Å
294	S	92.8	Very high	94.3	Very high	102 Å²	102	56.2 Å²	56.2	71%	0.713	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-14.9	-179.8	63.3	0	0	0	0	115	I291 Q292	I291-S294 PolarHBondContact O-OG 3.05Å; Q292-S294 PolarHBondContact O-N 2.8Å
295	K	93.1	Very high	94.1	Very high	179 Å²	179	55.1 Å²	55.1	78%	0.778	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.2	6.3	-176.4	-60.3	177	-174.8	175.9	0	112.8	Q292 Q293	Q292-K295 CarbonylContact O-C 3.54Å; Q292-K295 PolarHBondContact O-N 2.9Å; Q293-K295 PolarHBondContact O-N 2.96Å
296	S	95.9	Very high	93.8	Very high	18 Å²	18	56 Å²	56	13%	0.126	31%	0.306	C	S	.	.	S	Bend	trans	-131.4	149.5	-172.5	-56.4	0	0	0	0	110.8	Y257 Q292 Q293 F298	Y257-S296 VanDerWaalsContact CE1-OG 3.28Å; Y257-S296 WeakPolarHBondContact CE1-OG 3.38Å; Y257-S296 PolarHBondContact OH-OG 3.47Å; Q292-S296 WeakPolarHBondContact O-CB 3.43Å; Q292-S296 PolarHBondContact O-N 3.36Å; Q292-S296 VanDerWaalsContact O-N 3.16Å; Q292-S296 PolarHBondContact O-OG 3.13Å; Q293-S296 PolarHBondContact O-N 3.07Å; Q293-S296 VanDerWaalsContact O-O 3.06Å; S296-F298 PolarHBondContact O-N 3.18Å
297	P	96.3	Very high	93.5	Very high	25 Å²	25	57.4 Å²	57.4	16%	0.162	32%	0.315	C	S	.	.	S	Bend	trans	-84.4	55	-173.8	36.9	-39.1	0	0	0	111.7	A252 S331 Y334	A252-P297 HydrophobicContact CB-CG 3.74Å; P297-S331 WeakPolarHBondContact CA-OG 3.34Å; P297-S331 PolarHBondContact O-N 3.07Å; P297-S331 PolarHBondContact O-OG 3.32Å; P297-Y334 HydrophobicContact CB-CD1 3.51Å; P297-Y334 HydrophobicContact CB-CD2 3.73Å; P297-Y334 HydrophobicContact CB-CE1 3.54Å; P297-Y334 HydrophobicContact CB-CE2 3.78Å; P297-Y334 HydrophobicContact CB-CG 3.6Å; P297-Y334 HydrophobicContact CG-CD1 3.37Å; P297-Y334 HydrophobicContact CG-CE1 3.46Å; P297-Y334 VanDerWaalsContact CG-CE1 3.46Å; P297-Y334 HydrophobicContact CG-CG 3.95Å
298	F	97.4	Very high	93.1	Very high	3 Å²	3	58.9 Å²	58.9	1%	0.013	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	160.9	174.8	58.2	-104.1	0	0	0	111.2	Y257 L289 Q292 Q293 S296 V300 L328 I329 F336	Y257-F298 HydrophobicContact CD1-CE1 4.2Å; Y257-F298 HydrophobicContact CD1-CZ 4.19Å; Y257-F298 AromaticContact CD2-CE1 3.82Å; Y257-F298 HydrophobicContact CD2-CE1 3.82Å; Y257-F298 HydrophobicContact CD2-CZ 4.32Å; Y257-F298 AromaticContact CE1-CE1 3.87Å; Y257-F298 HydrophobicContact CE1-CE1 3.87Å; Y257-F298 HydrophobicContact CE1-CZ 4.19Å; Y257-F298 HydrophobicContact CE2-CD1 4.3Å; Y257-F298 AromaticContact CE2-CE1 3.5Å; Y257-F298 HydrophobicContact CE2-CE1 3.5Å; Y257-F298 HydrophobicContact CE2-CZ 4.37Å; Y257-F298 HydrophobicContact CG-CE1 4.18Å; Y257-F298 HydrophobicContact CG-CZ 4.26Å; Y257-F298 AromaticContact CZ-CE1 3.51Å; L289-F298 HydrophobicContact CD2-CZ 4.48Å; Q292-F298 HydrophobicContact CB-CZ 4.42Å; Q293-F298 WeakPolarHBondContact CG-O 3.33Å; S296-F298 PolarHBondContact O-N 3.18Å; F298-V300 HydrophobicContact CD2-CG2 3.91Å; F298-V300 HydrophobicContact CE2-CG2 3.66Å; F298-L328 HydrophobicContact CD2-CD1 4.07Å; F298-L328 HydrophobicContact CD2-CD2 4.04Å; F298-L328 HydrophobicContact CD2-CG 4.48Å; F298-L328 HydrophobicContact CE2-CD1 4.12Å; F298-L328 HydrophobicContact CE2-CD2 4.2Å; F298-L328 HydrophobicContact CG-CD1 4.29Å; F298-L328 HydrophobicContact CZ-CD1 4.34Å; F298-I329 CarbonylContact C-O 3.49Å; F298-I329 WeakPolarHBondContact CA-O 3.42Å; F298-I329 VanDerWaalsContact CB-O 3.26Å; F298-I329 WeakPolarHBondContact CB-O 3.16Å; F298-F336 HydrophobicContact CB-CE1 3.94Å; F298-F336 HydrophobicContact CB-CZ 3.58Å; F298-F336 AromaticContact CD1-CE1 3.81Å; F298-F336 HydrophobicContact CD1-CE1 3.81Å; F298-F336 HydrophobicContact CD1-CZ 4.31Å; F298-F336 HydrophobicContact CG-CE1 4.11Å; F298-F336 HydrophobicContact CG-CZ 4.14Å
299	T	97	Very high	92.6	Very high	49 Å²	49	59.7 Å²	59.7	30%	0.301	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	140.7	169.4	-53.1	0	0	0	0	109.7	Y301 L328 I329	T299-Y301 HydrophobicContact CG2-CD2 4.23Å; T299-Y301 HydrophobicContact CG2-CE1 4.22Å; T299-Y301 HydrophobicContact CG2-CE2 3.48Å; T299-Y301 VanDerWaalsContact CG2-CE2 3.48Å; T299-Y301 VanDerWaalsContact CG2-CZ 3.48Å; T299-Y301 WeakPolarHBondContact CG2-OH 3.28Å; T299-L328 WeakPolarHBondContact O-CA 3.32Å; T299-I329 PolarHBondContact N-O 3.29Å; T299-I329 PolarHBondContact O-N 3.46Å
300	V	97.1	Very high	92.3	Very high	6 Å²	6	59.7 Å²	59.7	4%	0.036	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	131.5	-178.9	-170.6	0	0	0	0	108.9	Y286 L289 Q293 F298 V326 L328	Y286-V300 HydrophobicContact CD2-CG1 3.92Å; Y286-V300 HydrophobicContact CE2-CG1 3.77Å; L289-V300 HydrophobicContact CB-CG1 4.04Å; L289-V300 HydrophobicContact CB-CG2 3.83Å; Q293-V300 HydrophobicContact CB-CG2 4.08Å; F298-V300 HydrophobicContact CD2-CG2 3.91Å; F298-V300 HydrophobicContact CE2-CG2 3.66Å; V300-V326 HydrophobicContact CG1-CG1 4.17Å; V300-L328 HydrophobicContact CB-CD2 3.92Å; V300-L328 HydrophobicContact CG1-CD2 3.8Å; V300-L328 HydrophobicContact CG2-CD2 3.61Å
301	Y	95.2	Very high	91.9	Very high	25 Å²	25	61.4 Å²	61.4	10%	0.098	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	153.6	175	-61.6	-85.4	0	0	0	110.7	T299 T305 L307 W310 L327 I329	T299-Y301 HydrophobicContact CG2-CD2 4.23Å; T299-Y301 HydrophobicContact CG2-CE1 4.22Å; T299-Y301 HydrophobicContact CG2-CE2 3.48Å; T299-Y301 VanDerWaalsContact CG2-CE2 3.48Å; T299-Y301 VanDerWaalsContact CG2-CZ 3.48Å; T299-Y301 WeakPolarHBondContact CG2-OH 3.28Å; Y301-T305 WeakPolarHBondContact CA-OG1 3.32Å; Y301-T305 WeakPolarHBondContact CD1-O 3.49Å; Y301-L307 HydrophobicContact CE1-CD1 4.37Å; Y301-L307 HydrophobicContact CE1-CD2 4.08Å; Y301-L307 HydrophobicContact CE1-CG 3.92Å; Y301-W310 HydrophobicContact CD2-CH2 4.25Å; Y301-W310 HydrophobicContact CE1-CH2 4.13Å; Y301-W310 AromaticContact CE2-CH2 3.83Å; Y301-W310 HydrophobicContact CE2-CH2 3.83Å; Y301-W310 AromaticContact CZ-CH2 3.76Å; Y301-L327 PolarHBondContact N-O 3Å; Y301-L327 PolarHBondContact O-N 3.47Å; Y301-I329 HydrophobicContact CD2-CD1 4.08Å; Y301-I329 HydrophobicContact CD2-CG1 4.15Å; Y301-I329 HydrophobicContact CE2-CB 4.43Å; Y301-I329 HydrophobicContact CE2-CD1 3.74Å; Y301-I329 HydrophobicContact CE2-CG1 4.05Å
302	N	92.4	Very high	91.2	Very high	29 Å²	29	55.9 Å²	55.9	16%	0.155	31%	0.314	C	S	.	.			trans	-136.9	-179.1	163.6	69.8	-0.9	0	0	0	108.4	Y286 S304 T305 I306 P325	Y286-N302 HydrophobicContact CD2-CB 3.99Å; Y286-N302 HydrophobicContact CE2-CB 3.59Å; N302-S304 VanDerWaalsContact CG-OG 3.31Å; N302-S304 PolarHBondContact ND2-OG 3.2Å; N302-S304 PolarHBondContact O-N 3.45Å; N302-S304 VanDerWaalsContact O-N 3.09Å; N302-S304 PolarHBondContact OD1-N 2.97Å; N302-S304 VanDerWaalsContact OD1-N 3.07Å; N302-S304 PolarHBondContact OD1-OG 3.32Å; N302-T305 PolarHBondContact N-OG1 3.49Å; N302-T305 PolarHBondContact O-N 3.48Å; N302-T305 VanDerWaalsContact O-N 3.08Å; N302-T305 PolarHBondContact O-OG1 3.24Å; N302-T305 PolarHBondContact OD1-N 3.18Å; N302-T305 PolarHBondContact OD1-OG1 3.33Å; N302-I306 PolarHBondContact O-N 2.87Å; N302-P325 VanDerWaalsContact CB-O 3.32Å; N302-P325 WeakPolarHBondContact CB-O 3.29Å
303	S	85.3	Confident	90.3	Very high	73 Å²	73	56 Å²	56	51%	0.51	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-32.7	178.5	55.1	0	0	0	0	114.3	M313	S303-M313 WeakPolarHBondContact O-CE 3.17Å
304	S	86.7	Confident	88.9	Confident	97 Å²	97	56.4 Å²	56.4	68%	0.678	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-19.7	-179.3	65.6	0	0	0	0	115.2	N302	N302-S304 VanDerWaalsContact CG-OG 3.31Å; N302-S304 PolarHBondContact ND2-OG 3.2Å; N302-S304 PolarHBondContact O-N 3.45Å; N302-S304 VanDerWaalsContact O-N 3.09Å; N302-S304 PolarHBondContact OD1-N 2.97Å; N302-S304 VanDerWaalsContact OD1-N 3.07Å; N302-S304 PolarHBondContact OD1-OG 3.32Å
305	T	91.3	Very high	87.1	Confident	56 Å²	56	59.3 Å²	59.3	34%	0.344	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.8	-6.5	-173.9	51.5	0	0	0	0	113.3	Y286 Y301 N302	Y286-T305 WeakPolarHBondContact OH-CG2 3.43Å; Y301-T305 WeakPolarHBondContact CA-OG1 3.32Å; Y301-T305 WeakPolarHBondContact CD1-O 3.49Å; N302-T305 PolarHBondContact N-OG1 3.49Å; N302-T305 PolarHBondContact O-N 3.48Å; N302-T305 VanDerWaalsContact O-N 3.08Å; N302-T305 PolarHBondContact O-OG1 3.24Å; N302-T305 PolarHBondContact OD1-N 3.18Å; N302-T305 PolarHBondContact OD1-OG1 3.33Å
306	I	88.2	Confident	85.2	Confident	22 Å²	22	56 Å²	56	11%	0.113	32%	0.321	C	S	.	.	S	Bend	trans	-62.7	143.9	179.2	-146	160.6	0	0	0	111.2	N302 S308 W310 I312 M313 L323 L327	N302-I306 PolarHBondContact O-N 2.87Å; I306-S308 PolarHBondContact O-N 3.13Å; I306-W310 HydrophobicContact CD1-CE3 4.16Å; I306-W310 HydrophobicContact CD1-CZ3 4.21Å; I306-W310 HydrophobicContact CG1-CE3 3.56Å; I306-W310 HydrophobicContact CG1-CZ3 3.59Å; I306-I312 HydrophobicContact CD1-CD1 3.48Å; I306-I312 VanDerWaalsContact CD1-CD1 3.48Å; I306-I312 HydrophobicContact CD1-CG1 3.99Å; I306-I312 HydrophobicContact CG1-CD1 4.1Å; I306-I312 HydrophobicContact CG1-CG1 4.46Å; I306-M313 HydrophobicContact CG2-CG 3.3Å; I306-M313 HydrophobicContact CG2-SD 3.7Å; I306-L323 HydrophobicContact CD1-CD1 3.29Å; I306-L323 HydrophobicContact CD1-CD2 3.92Å; I306-L323 HydrophobicContact CD1-CG 4.18Å; I306-L327 HydrophobicContact CD1-CD2 4.48Å
307	L	90.8	Very high	83	Confident	54 Å²	54	62.8 Å²	62.8	28%	0.283	36%	0.356	S	S	.	.			trans	-74.7	125.2	-171.4	-53.8	179.9	0	0	0	109.9	Y301 H309 W310	Y301-L307 HydrophobicContact CE1-CD1 4.37Å; Y301-L307 HydrophobicContact CE1-CD2 4.08Å; Y301-L307 HydrophobicContact CE1-CG 3.92Å; L307-H309 VanDerWaalsContact CB-CE1 3.44Å; L307-H309 WeakPolarHBondContact CB-CE1 3.31Å; L307-H309 VanDerWaalsContact CD1-CE1 3.46Å; L307-H309 WeakPolarHBondContact CD1-CE1 3.41Å; L307-H309 PolarHBondContact O-N 2.92Å; L307-H309 VanDerWaalsContact O-N 3.15Å; L307-W310 HydrophobicContact CB-CD2 4.15Å; L307-W310 HydrophobicContact CB-CE3 4.49Å; L307-W310 HydrophobicContact CB-CG 4.41Å; L307-W310 HydrophobicContact CD1-CH2 4.19Å; L307-W310 HydrophobicContact CD1-CZ2 3.64Å; L307-W310 HydrophobicContact CG-CH2 4.33Å; L307-W310 HydrophobicContact CG-CZ2 4.17Å; L307-W310 WeakPolarHBondContact O-CB 3.3Å; L307-W310 PolarHBondContact O-N 3.11Å
308	S	86.2	Confident	80.7	Confident	112 Å²	112	67.2 Å²	67.2	78%	0.783	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-57.6	-32.7	-176.4	54.7	0	0	0	0	113.3	I306 W310 E311	I306-S308 PolarHBondContact O-N 3.13Å; S308-W310 PolarHBondContact O-N 3.23Å; S308-E311 PolarHBondContact O-N 3.13Å
309	H	85.5	Confident	78.5	Confident	68 Å²	68	74.9 Å²	74.9	32%	0.315	42%	0.419	S	S	.	.	G	3₁₀ helix	trans	-72.3	-9	-179.4	66.1	-102	0	0	0	114.4	L307 E362	L307-H309 VanDerWaalsContact CB-CE1 3.44Å; L307-H309 WeakPolarHBondContact CB-CE1 3.31Å; L307-H309 VanDerWaalsContact CD1-CE1 3.46Å; L307-H309 WeakPolarHBondContact CD1-CE1 3.41Å; L307-H309 PolarHBondContact O-N 2.92Å; L307-H309 VanDerWaalsContact O-N 3.15Å; H309-E362 IonicContact CD2-OE1 3.14Å
310	W	89.8	Confident	76.6	Confident	2 Å²	2	77.8 Å²	77.8	1%	0.008	43%	0.433	C	S	.	.	G	3₁₀ helix	trans	-75.3	-17.4	168.9	-67.8	-14.5	0	0	0	112	F80 H96 Y301 I306 L307 S308 I312 L327 I329 D360	F80-W310 HydrophobicContact CB-CB 3.98Å; F80-W310 HydrophobicContact CB-CD2 4.05Å; F80-W310 HydrophobicContact CB-CE3 4.47Å; F80-W310 HydrophobicContact CB-CG 3.82Å; F80-W310 HydrophobicContact CD1-CE3 4.25Å; F80-W310 AromaticContact CD2-CD2 3.96Å; F80-W310 HydrophobicContact CD2-CD2 3.96Å; F80-W310 AromaticContact CD2-CE3 3.99Å; F80-W310 HydrophobicContact CD2-CE3 3.99Å; F80-W310 HydrophobicContact CD2-CH2 4.32Å; F80-W310 HydrophobicContact CD2-CZ2 4.23Å; F80-W310 HydrophobicContact CD2-CZ3 4.16Å; F80-W310 HydrophobicContact CE2-CE3 4.43Å; F80-W310 HydrophobicContact CE2-CH2 4.29Å; F80-W310 HydrophobicContact CE2-CZ3 4.18Å; F80-W310 AromaticContact CG-CD2 3.94Å; F80-W310 HydrophobicContact CG-CD2 3.94Å; F80-W310 AromaticContact CG-CE3 3.94Å; F80-W310 HydrophobicContact CG-CE3 3.94Å; F80-W310 HydrophobicContact CG-CG 4.25Å; F80-W310 HydrophobicContact CG-CZ3 4.49Å; F80-W310 HydrophobicContact CZ-CZ3 4.44Å; H96-W310 PolarHBondContact ND1-O 2.83Å; Y301-W310 HydrophobicContact CD2-CH2 4.25Å; Y301-W310 HydrophobicContact CE1-CH2 4.13Å; Y301-W310 AromaticContact CE2-CH2 3.83Å; Y301-W310 HydrophobicContact CE2-CH2 3.83Å; Y301-W310 AromaticContact CZ-CH2 3.76Å; I306-W310 HydrophobicContact CD1-CE3 4.16Å; I306-W310 HydrophobicContact CD1-CZ3 4.21Å; I306-W310 HydrophobicContact CG1-CE3 3.56Å; I306-W310 HydrophobicContact CG1-CZ3 3.59Å; L307-W310 HydrophobicContact CB-CD2 4.15Å; L307-W310 HydrophobicContact CB-CE3 4.49Å; L307-W310 HydrophobicContact CB-CG 4.41Å; L307-W310 HydrophobicContact CD1-CH2 4.19Å; L307-W310 HydrophobicContact CD1-CZ2 3.64Å; L307-W310 HydrophobicContact CG-CH2 4.33Å; L307-W310 HydrophobicContact CG-CZ2 4.17Å; L307-W310 WeakPolarHBondContact O-CB 3.3Å; L307-W310 PolarHBondContact O-N 3.11Å; S308-W310 PolarHBondContact O-N 3.23Å; W310-I312 VanDerWaalsContact C-N 3.26Å; W310-I312 HydrophobicContact CB-CD1 3.89Å; W310-I312 HydrophobicContact CB-CG1 3.88Å; W310-I312 HydrophobicContact CB-CG2 4.4Å; W310-I312 HydrophobicContact CD2-CD1 4.42Å; W310-I312 HydrophobicContact CE3-CD1 3.72Å; W310-I312 WeakPolarHBondContact O-CG2 3.33Å; W310-I312 PolarHBondContact O-N 3.08Å; W310-L327 HydrophobicContact CZ3-CD2 4.46Å; W310-I329 HydrophobicContact CH2-CD1 3.25Å; W310-I329 HydrophobicContact CZ2-CD1 3.91Å; W310-I329 HydrophobicContact CZ3-CD1 3.97Å; W310-D360 HydrophobicContact CZ2-CB 4.25Å; W310-D360 PolarHBondContact NE1-OD1 3.49Å; W310-D360 VanDerWaalsContact NE1-OD1 3.12Å
311	E	86.5	Confident	75.4	Confident	111 Å²	111	80.6 Å²	80.6	52%	0.519	45%	0.453	S	S	.	.			trans	52.6	42.4	179	-59.6	-170.9	-172.4	0	0	113.1	H96 V98 S308	H96-E311 IonicContact CD2-OE2 3.41Å; H96-E311 PolarHBondContact CD2-OE2 3.34Å; H96-E311 IonicContact CE1-OE2 2.77Å; H96-E311 IonicContact NE2-OE2 3.29Å; H96-E311 PolarHBondContact NE2-OE2 3.41Å; H96-E311 VanDerWaalsContact NE2-OE2 3.14Å; V98-E311 WeakPolarHBondContact CG1-O 3.31Å; S308-E311 PolarHBondContact O-N 3.13Å
312	I	80	Confident	74.6	Confident	6 Å²	6	81 Å²	81	3%	0.031	46%	0.456	C	S	.	.			trans	-113.2	6.4	-176.7	57.4	-178.8	0	0	0	114.4	F80 V98 I306 W310 L323	F80-I312 HydrophobicContact CB-CD1 4.41Å; F80-I312 HydrophobicContact CD1-CD1 3.41Å; F80-I312 VanDerWaalsContact CD1-CD1 3.41Å; F80-I312 HydrophobicContact CE1-CD1 4.02Å; F80-I312 HydrophobicContact CG-CD1 4.11Å; V98-I312 WeakPolarHBondContact CG2-O 3.49Å; I306-I312 HydrophobicContact CD1-CD1 3.48Å; I306-I312 VanDerWaalsContact CD1-CD1 3.48Å; I306-I312 HydrophobicContact CD1-CG1 3.99Å; I306-I312 HydrophobicContact CG1-CD1 4.1Å; I306-I312 HydrophobicContact CG1-CG1 4.46Å; W310-I312 VanDerWaalsContact C-N 3.26Å; W310-I312 HydrophobicContact CB-CD1 3.89Å; W310-I312 HydrophobicContact CB-CG1 3.88Å; W310-I312 HydrophobicContact CB-CG2 4.4Å; W310-I312 HydrophobicContact CD2-CD1 4.42Å; W310-I312 HydrophobicContact CE3-CD1 3.72Å; W310-I312 WeakPolarHBondContact O-CG2 3.33Å; W310-I312 PolarHBondContact O-N 3.08Å; I312-L323 HydrophobicContact CB-CD1 4.26Å; I312-L323 HydrophobicContact CD1-CD1 3.81Å; I312-L323 HydrophobicContact CD1-CD2 3.98Å; I312-L323 HydrophobicContact CD1-CG 4.4Å; I312-L323 HydrophobicContact CG1-CD1 3.85Å
313	M	74.4	Confident	74.2	Confident	81 Å²	81	80 Å²	80	40%	0.399	45%	0.451	S	S	.	.			trans	-104.9	128.1	175.3	-67.9	-61.6	-67	0	0	110.1	S303 I306 L323	S303-M313 WeakPolarHBondContact O-CE 3.17Å; I306-M313 HydrophobicContact CG2-CG 3.3Å; I306-M313 HydrophobicContact CG2-SD 3.7Å; M313-L323 HydrophobicContact SD-CD1 3.92Å
314	T	64.2	Low	74.4	Confident	67 Å²	67	76.9 Å²	76.9	41%	0.411	43%	0.429	S	S	.	.			trans	-84.7	138.9	168.8	59	0	0	0	0	110.7	V98 N316	V98-T314 HydrophobicContact CG2-CG2 3.31Å; T314-N316 PolarHBondContact O-N 2.78Å; T314-N316 PolarHBondContact OG1-O 3.35Å
315	N	56.6	Low	74.7	Confident	163 Å²	163	73.9 Å²	73.9	87%	0.872	41%	0.407	S	S	*	.	S	Bend	trans	-69.3	-5.8	169	-69.4	-26.8	0	0	0	113.4
316	N	53.2	Low	74.9	Confident	109 Å²	109	71.2 Å²	71.2	58%	0.583	39%	0.391	S	S	*	.	S	Bend	trans	-87.6	119.1	179.4	-68.8	-22	0	0	0	109.4	T314 N318	T314-N316 PolarHBondContact O-N 2.78Å; T314-N316 PolarHBondContact OG1-O 3.35Å; N316-N318 PolarHBondContact O-N 3.43Å
317	N	48.3	Very low	75.2	Confident	161 Å²	161	70.3 Å²	70.3	86%	0.861	39%	0.386	S	S	*	.			trans	-62.1	21	173.8	-67.8	-26.4	0	0	0	114.3	N319	N317-N319 PolarHBondContact O-N 3.23Å
318	N	48.8	Very low	75.5	Confident	118 Å²	118	67.8 Å²	67.8	63%	0.631	37%	0.373	S	S	*	.			trans	-73.9	129	175.4	-68.6	-10.7	0	0	0	107.5	N316 N320	N316-N318 PolarHBondContact O-N 3.43Å; N318-N320 PolarHBondContact O-N 2.99Å
319	N	50.3	Low	76	Confident	164 Å²	164	62.8 Å²	62.8	88%	0.877	34%	0.338	S	S	*	.	S	Bend	trans	-57	11	-179	-80.3	-14	0	0	0	115.9	N317 S321	N317-N319 PolarHBondContact O-N 3.23Å; N319-S321 PolarHBondContact O-N 3.01Å
320	N	57.8	Low	76.6	Confident	109 Å²	109	59.8 Å²	59.8	58%	0.583	33%	0.325	S	S	*	.			trans	-101.6	54.1	-175.3	-67.9	-0.5	0	0	0	111.3	N318 L322	N318-N320 PolarHBondContact O-N 2.99Å; N320-L322 PolarHBondContact O-N 3.07Å
321	S	72.7	Confident	77	Confident	65 Å²	65	61.6 Å²	61.6	46%	0.455	34%	0.337	S	S	.	.			trans	-63.9	124	169.5	171.9	0	0	0	0	109.4	N319 L323	N319-S321 PolarHBondContact O-N 3.01Å; S321-L323 PolarHBondContact O-N 3.36Å; S321-L323 PolarHBondContact OG-N 3.41Å; S321-L323 VanDerWaalsContact OG-N 3.09Å; S321-L323 PolarHBondContact OG-O 3.06Å
322	L	78.3	Confident	77.4	Confident	33 Å²	33	59.5 Å²	59.5	17%	0.173	33%	0.334	C	S	.	.	S	Bend	trans	-66.9	-17.8	169.6	-68.9	-173.8	0	0	0	112	P97 I103 N320	P97-L322 WeakPolarHBondContact O-CD1 3.39Å; I103-L322 HydrophobicContact CB-CB 4.17Å; I103-L322 HydrophobicContact CB-CD1 4.1Å; I103-L322 HydrophobicContact CD1-CB 3.78Å; I103-L322 HydrophobicContact CG2-CB 3.88Å; I103-L322 HydrophobicContact CG2-CD1 4.4Å; N320-L322 PolarHBondContact O-N 3.07Å
323	L	84	Confident	78.2	Confident	10 Å²	10	62.2 Å²	62.2	5%	0.052	35%	0.348	C	S	.	.	S	Bend	trans	-91.8	149.2	-179	-70.6	158.6	0	0	0	112.2	F80 I103 W274 I306 I312 M313 S321 L327	F80-L323 HydrophobicContact CE1-CD2 4.3Å; I103-L323 HydrophobicContact CD1-CD2 3.84Å; I103-L323 HydrophobicContact CD1-CG 4.02Å; W274-L323 HydrophobicContact CH2-CD2 3.75Å; W274-L323 HydrophobicContact CZ3-CD2 3.87Å; I306-L323 HydrophobicContact CD1-CD1 3.29Å; I306-L323 HydrophobicContact CD1-CD2 3.92Å; I306-L323 HydrophobicContact CD1-CG 4.18Å; I312-L323 HydrophobicContact CB-CD1 4.26Å; I312-L323 HydrophobicContact CD1-CD1 3.81Å; I312-L323 HydrophobicContact CD1-CD2 3.98Å; I312-L323 HydrophobicContact CD1-CG 4.4Å; I312-L323 HydrophobicContact CG1-CD1 3.85Å; M313-L323 HydrophobicContact SD-CD1 3.92Å; S321-L323 PolarHBondContact O-N 3.36Å; S321-L323 PolarHBondContact OG-N 3.41Å; S321-L323 VanDerWaalsContact OG-N 3.09Å; S321-L323 PolarHBondContact OG-O 3.06Å; L323-L327 HydrophobicContact CD2-CD2 4.45Å
324	P	89.6	Confident	79.3	Confident	6 Å²	6	61.6 Å²	61.6	4%	0.039	34%	0.342	C	S	.	.			trans	-74.5	157.4	176.4	35.3	-29.2	0	0	0	109.1	W274 W276 V326 L327	W274-P324 HydrophobicContact CB-CB 4.08Å; W274-P324 HydrophobicContact CB-CG 3.79Å; W274-P324 HydrophobicContact CD2-CG 4.03Å; W274-P324 HydrophobicContact CE3-CB 4.39Å; W274-P324 HydrophobicContact CE3-CG 3.68Å; W274-P324 HydrophobicContact CG-CG 4.18Å; W274-P324 HydrophobicContact CZ3-CG 4.4Å; W276-P324 HydrophobicContact CD2-CB 4.03Å; W276-P324 HydrophobicContact CE3-CB 4.22Å; W276-P324 HydrophobicContact CH2-CB 3.95Å; W276-P324 HydrophobicContact CZ2-CB 3.74Å; W276-P324 HydrophobicContact CZ3-CB 4.17Å; P324-V326 WeakPolarHBondContact CG-O 3.41Å; P324-V326 PolarHBondContact O-N 3.36Å; P324-V326 VanDerWaalsContact O-N 3.16Å; P324-L327 HydrophobicContact CG-CB 4.02Å; P324-L327 HydrophobicContact CG-CD1 4.48Å
325	P	91.9	Very high	80.8	Confident	35 Å²	35	58.6 Å²	58.6	23%	0.227	32%	0.323	C	S	.	.	S	Bend	trans	-53.9	-34.5	173.1	-26.8	33.7	0	0	0	113.1	I275 E282 N302	I275-P325 WeakPolarHBondContact O-CD 3.2Å; E282-P325 HydrophobicContact CG-CB 4.07Å; N302-P325 VanDerWaalsContact CB-O 3.32Å; N302-P325 WeakPolarHBondContact CB-O 3.29Å
326	V	95	Very high	82.8	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	125.6	176	-178.5	0	0	0	0	110	I275 P277 Y286 L289 V300 P324 L328	I275-V326 HydrophobicContact CB-CB 4.1Å; I275-V326 WeakPolarHBondContact CB-O 3.26Å; I275-V326 HydrophobicContact CD1-CG1 4.12Å; I275-V326 HydrophobicContact CG2-CB 4.47Å; I275-V326 PolarHBondContact N-O 3.3Å; I275-V326 PolarHBondContact O-N 2.78Å; P277-V326 HydrophobicContact CG-CG2 4.13Å; Y286-V326 HydrophobicContact CD2-CG1 4.44Å; Y286-V326 HydrophobicContact CD2-CG2 4.1Å; L289-V326 HydrophobicContact CD1-CG1 3.65Å; V300-V326 HydrophobicContact CG1-CG1 4.17Å; P324-V326 WeakPolarHBondContact CG-O 3.41Å; P324-V326 PolarHBondContact O-N 3.36Å; P324-V326 VanDerWaalsContact O-N 3.16Å; V326-L328 HydrophobicContact CG1-CD2 4.39Å
327	L	95	Very high	84.7	Confident	3 Å²	3	48.9 Å²	48.9	2%	0.016	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	129.6	176.1	172.6	68.4	0	0	0	109.2	F80 W274 Y301 I306 W310 L323 P324 I329	F80-L327 HydrophobicContact CE1-CD2 4.02Å; F80-L327 HydrophobicContact CZ-CD2 3.67Å; W274-L327 HydrophobicContact CD2-CD1 4.14Å; W274-L327 HydrophobicContact CG-CD1 4.23Å; W274-L327 HydrophobicContact CZ2-CD1 4.23Å; Y301-L327 PolarHBondContact N-O 3Å; Y301-L327 PolarHBondContact O-N 3.47Å; I306-L327 HydrophobicContact CD1-CD2 4.48Å; W310-L327 HydrophobicContact CZ3-CD2 4.46Å; L323-L327 HydrophobicContact CD2-CD2 4.45Å; P324-L327 HydrophobicContact CG-CB 4.02Å; P324-L327 HydrophobicContact CG-CD1 4.48Å; L327-I329 HydrophobicContact CD2-CD1 4.39Å; L327-I329 HydrophobicContact CD2-CG1 4.33Å; L327-I329 HydrophobicContact CG-CG1 4.27Å
328	L	97.3	Very high	86.9	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	137.8	165.9	-52.7	-169.5	0	0	0	110.3	F258 T272 L273 I275 L289 F298 T299 V300 V326 F336	F258-L328 HydrophobicContact CZ-CD1 3.97Å; T272-L328 CarbonylContact C-O 3.59Å; T272-L328 WeakPolarHBondContact CA-O 3.26Å; T272-L328 WeakPolarHBondContact CB-O 3.06Å; L273-L328 HydrophobicContact CB-CB 4.12Å; L273-L328 HydrophobicContact CB-CG 4.39Å; L273-L328 HydrophobicContact CD1-CD1 4.2Å; L273-L328 PolarHBondContact N-O 3.14Å; L273-L328 PolarHBondContact O-N 3.22Å; I275-L328 HydrophobicContact CD1-CD1 4.09Å; I275-L328 HydrophobicContact CD1-CG 3.78Å; L289-L328 HydrophobicContact CD1-CD2 4.25Å; L289-L328 HydrophobicContact CD2-CD1 4.22Å; F298-L328 HydrophobicContact CD2-CD1 4.07Å; F298-L328 HydrophobicContact CD2-CD2 4.04Å; F298-L328 HydrophobicContact CD2-CG 4.48Å; F298-L328 HydrophobicContact CE2-CD1 4.12Å; F298-L328 HydrophobicContact CE2-CD2 4.2Å; F298-L328 HydrophobicContact CG-CD1 4.29Å; F298-L328 HydrophobicContact CZ-CD1 4.34Å; T299-L328 WeakPolarHBondContact O-CA 3.32Å; V300-L328 HydrophobicContact CB-CD2 3.92Å; V300-L328 HydrophobicContact CG1-CD2 3.8Å; V300-L328 HydrophobicContact CG2-CD2 3.61Å; V326-L328 HydrophobicContact CG1-CD2 4.39Å; L328-F336 HydrophobicContact CB-CE1 4.35Å; L328-F336 HydrophobicContact CB-CE2 4.1Å; L328-F336 HydrophobicContact CB-CZ 3.58Å; L328-F336 HydrophobicContact CD1-CE1 4.19Å; L328-F336 HydrophobicContact CD1-CZ 4.24Å
329	I	97.3	Very high	89.1	Confident	8 Å²	8	44.5 Å²	44.5	4%	0.041	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	123.5	169.4	-54.5	-176.1	0	0	0	107.8	F80 T272 F298 T299 Y301 W310 L327	F80-I329 HydrophobicContact CD2-CD1 4.49Å; F80-I329 HydrophobicContact CE2-CD1 3.57Å; F80-I329 HydrophobicContact CE2-CG1 4.44Å; F80-I329 HydrophobicContact CZ-CD1 4.1Å; T272-I329 HydrophobicContact CG2-CG1 4.1Å; T272-I329 HydrophobicContact CG2-CG2 4.44Å; F298-I329 CarbonylContact C-O 3.49Å; F298-I329 WeakPolarHBondContact CA-O 3.42Å; F298-I329 VanDerWaalsContact CB-O 3.26Å; F298-I329 WeakPolarHBondContact CB-O 3.16Å; T299-I329 PolarHBondContact N-O 3.29Å; T299-I329 PolarHBondContact O-N 3.46Å; Y301-I329 HydrophobicContact CD2-CD1 4.08Å; Y301-I329 HydrophobicContact CD2-CG1 4.15Å; Y301-I329 HydrophobicContact CE2-CB 4.43Å; Y301-I329 HydrophobicContact CE2-CD1 3.74Å; Y301-I329 HydrophobicContact CE2-CG1 4.05Å; W310-I329 HydrophobicContact CH2-CD1 3.25Å; W310-I329 HydrophobicContact CZ2-CD1 3.91Å; W310-I329 HydrophobicContact CZ3-CD1 3.97Å; L327-I329 HydrophobicContact CD2-CD1 4.39Å; L327-I329 HydrophobicContact CD2-CG1 4.33Å; L327-I329 HydrophobicContact CG-CG1 4.27Å
330	A	97.9	Very high	91.1	Very high	5 Å²	5	39.6 Å²	39.6	4%	0.041	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	145.5	176.6	0	0	0	0	0	110.6	S271 Y334 F336 Y359	S271-A330 WeakPolarHBondContact O-CB 3.44Å; S271-A330 PolarHBondContact O-N 3.16Å; A330-Y334 WeakPolarHBondContact CB-O 3.06Å; A330-F336 HydrophobicContact CB-CD2 4.06Å; A330-F336 HydrophobicContact CB-CE2 3.66Å; A330-F336 HydrophobicContact CB-CZ 4.05Å; A330-Y359 HydrophobicContact CB-CE1 4.04Å; A330-Y359 WeakPolarHBondContact O-CD1 3.16Å
331	S	97.3	Very high	92.7	Very high	39 Å²	39	37 Å²	37	27%	0.273	20%	0.202	S	C	.	.	P	Polyproline II helix	trans	-62.3	157.4	170.4	-60.1	0	0	0	0	110.9	P297 N333 Y334	P297-S331 WeakPolarHBondContact CA-OG 3.34Å; P297-S331 PolarHBondContact O-N 3.07Å; P297-S331 PolarHBondContact O-OG 3.32Å; S331-N333 PolarHBondContact O-N 3.05Å; S331-Y334 WeakPolarHBondContact O-CB 3.25Å; S331-Y334 PolarHBondContact O-N 2.69Å
332	P	95.2	Very high	93.6	Very high	68 Å²	68	38.3 Å²	38.3	44%	0.442	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.3	141.3	174.7	-27.7	36.3	0	0	0	111.9	Y334 L363	P332-Y334 PolarHBondContact O-N 3.36Å; P332-L363 HydrophobicContact CB-CD1 4.12Å; P332-L363 HydrophobicContact CB-CD2 4.4Å; P332-L363 HydrophobicContact CG-CD1 3.61Å; P332-L363 HydrophobicContact CG-CD2 4.27Å
333	N	96.6	Very high	94.2	Very high	62 Å²	62	38.8 Å²	38.8	33%	0.332	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.6	-0.8	-175.1	-51.6	-25.1	0	0	0	117.4	T247 S249 H250 S331	T247-N333 VanDerWaalsContact O-CA 3.27Å; T247-N333 WeakPolarHBondContact O-CA 3.46Å; T247-N333 PolarHBondContact O-OD1 2.97Å; S249-N333 PolarHBondContact N-O 3.31Å; H250-N333 PolarHBondContact N-O 2.75Å; S331-N333 PolarHBondContact O-N 3.05Å
334	Y	97.8	Very high	94.2	Very high	68 Å²	68	44.1 Å²	44.1	27%	0.267	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	147	175	-75.1	-100.8	0	0	0	112.3	H250 A252 P297 A330 S331 P332 Y359	H250-Y334 HydrophobicContact CB-CD1 3.43Å; H250-Y334 VanDerWaalsContact CB-CD1 3.43Å; H250-Y334 HydrophobicContact CB-CD2 4.13Å; H250-Y334 HydrophobicContact CB-CE1 3.31Å; H250-Y334 HydrophobicContact CB-CE2 4.02Å; H250-Y334 HydrophobicContact CB-CG 3.85Å; H250-Y334 AromaticContact CG-CZ 3.83Å; H250-Y334 WeakPolarHBondContact O-CA 3.48Å; A252-Y334 HydrophobicContact CB-CD1 4.38Å; P297-Y334 HydrophobicContact CB-CD1 3.51Å; P297-Y334 HydrophobicContact CB-CD2 3.73Å; P297-Y334 HydrophobicContact CB-CE1 3.54Å; P297-Y334 HydrophobicContact CB-CE2 3.78Å; P297-Y334 HydrophobicContact CB-CG 3.6Å; P297-Y334 HydrophobicContact CG-CD1 3.37Å; P297-Y334 HydrophobicContact CG-CE1 3.46Å; P297-Y334 VanDerWaalsContact CG-CE1 3.46Å; P297-Y334 HydrophobicContact CG-CG 3.95Å; A330-Y334 WeakPolarHBondContact CB-O 3.06Å; S331-Y334 WeakPolarHBondContact O-CB 3.25Å; S331-Y334 PolarHBondContact O-N 2.69Å; P332-Y334 PolarHBondContact O-N 3.36Å; Y334-Y359 WeakPolarHBondContact O-CE1 3.46Å; Y334-Y359 PolarHBondContact O-OH 3.44Å
335	I	96.9	Very high	93.9	Very high	5 Å²	5	44.6 Å²	44.6	3%	0.026	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	153.6	163.1	59.8	167	0	0	0	110.6	V248 H250 Q251 A252 G270 H337 P353 M356	V248-I335 HydrophobicContact CB-CG2 4.25Å; V248-I335 HydrophobicContact CG1-CB 4.29Å; V248-I335 HydrophobicContact CG1-CD1 3.89Å; V248-I335 HydrophobicContact CG1-CG1 3.74Å; V248-I335 HydrophobicContact CG1-CG2 3.66Å; V248-I335 HydrophobicContact CG2-CG2 3.51Å; H250-I335 PolarHBondContact O-N 2.94Å; H250-I335 VanDerWaalsContact O-N 3.08Å; Q251-I335 CarbonylContact C-O 3.48Å; Q251-I335 WeakPolarHBondContact CA-O 3.32Å; Q251-I335 HydrophobicContact CG-CD1 4.45Å; Q251-I335 HydrophobicContact CG-CG1 4.13Å; A252-I335 PolarHBondContact N-O 3.27Å; G270-I335 CarbonylContact O-C 3.53Å; G270-I335 WeakPolarHBondContact O-CA 3.21Å; I335-H337 PolarHBondContact O-N 3.36Å; I335-P353 HydrophobicContact CD1-CG 3.93Å; I335-M356 HydrophobicContact CG2-CB 3.89Å; I335-M356 HydrophobicContact CG2-CG 4Å
336	F	96.6	Very high	93.1	Very high	1 Å²	1	47.1 Å²	47.1	0%	0.004	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	117.4	172.5	-67.5	-72.5	0	0	0	111.5	A252 A254 N268 G270 L273 F298 L328 A330	A252-F336 HydrophobicContact CB-CD1 3.83Å; A252-F336 HydrophobicContact CB-CE1 4.12Å; A252-F336 WeakPolarHBondContact O-CA 3.43Å; A254-F336 HydrophobicContact CB-CD1 4.38Å; N268-F336 PolarHBondContact ND2-O 3.09Å; N268-F336 VanDerWaalsContact ND2-O 3.09Å; G270-F336 VanDerWaalsContact O-CD2 3.31Å; G270-F336 WeakPolarHBondContact O-CD2 3.28Å; G270-F336 PolarHBondContact O-N 3.22Å; L273-F336 HydrophobicContact CD1-CB 4.28Å; L273-F336 HydrophobicContact CD1-CD1 3.77Å; L273-F336 HydrophobicContact CD1-CD2 4.39Å; L273-F336 HydrophobicContact CD1-CE1 4.13Å; L273-F336 HydrophobicContact CD1-CG 3.9Å; L273-F336 HydrophobicContact CD2-CB 3.76Å; L273-F336 HydrophobicContact CD2-CD2 4.09Å; L273-F336 HydrophobicContact CD2-CG 3.93Å; L273-F336 HydrophobicContact CG-CB 3.97Å; L273-F336 HydrophobicContact CG-CD1 3.92Å; L273-F336 HydrophobicContact CG-CD2 3.61Å; L273-F336 HydrophobicContact CG-CE1 4.28Å; L273-F336 HydrophobicContact CG-CE2 3.98Å; L273-F336 HydrophobicContact CG-CG 3.56Å; L273-F336 HydrophobicContact CG-CZ 4.3Å; F298-F336 HydrophobicContact CB-CE1 3.94Å; F298-F336 HydrophobicContact CB-CZ 3.58Å; F298-F336 AromaticContact CD1-CE1 3.81Å; F298-F336 HydrophobicContact CD1-CE1 3.81Å; F298-F336 HydrophobicContact CD1-CZ 4.31Å; F298-F336 HydrophobicContact CG-CE1 4.11Å; F298-F336 HydrophobicContact CG-CZ 4.14Å; L328-F336 HydrophobicContact CB-CE1 4.35Å; L328-F336 HydrophobicContact CB-CE2 4.1Å; L328-F336 HydrophobicContact CB-CZ 3.58Å; L328-F336 HydrophobicContact CD1-CE1 4.19Å; L328-F336 HydrophobicContact CD1-CZ 4.24Å; A330-F336 HydrophobicContact CB-CD2 4.06Å; A330-F336 HydrophobicContact CB-CE2 3.66Å; A330-F336 HydrophobicContact CB-CZ 4.05Å
337	H	95.1	Very high	92	Very high	66 Å²	66	52 Å²	52	31%	0.306	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	129.6	169.4	177.6	-73.6	0	0	0	109.8	Q251 A252 H253 A254 I335	Q251-H337 HydrophobicContact CB-CB 4.02Å; Q251-H337 HydrophobicContact CG-CB 4.29Å; A252-H337 PolarHBondContact O-N 3.41Å; H253-H337 CarbonylContact C-O 3.54Å; H253-H337 WeakPolarHBondContact CA-O 3.3Å; H253-H337 AromaticContact ND1-ND1 3.76Å; A254-H337 PolarHBondContact N-O 3.38Å; I335-H337 PolarHBondContact O-N 3.36Å
338	S	94.3	Very high	91.2	Very high	7 Å²	7	53.6 Å²	53.6	5%	0.049	29%	0.289	C	S	.	.			trans	-142.5	138.1	175.3	178.4	0	0	0	0	110.8	D255 A340 W341 P342	D255-S338 WeakPolarHBondContact OD1-CB 3.11Å; D255-S338 PolarHBondContact OD1-OG 2.74Å; D255-S338 WeakPolarHBondContact OD2-CA 3.43Å; S338-A340 PolarHBondContact OG-N 3.31Å; S338-A340 VanDerWaalsContact OG-N 3.16Å; S338-W341 WeakPolarHBondContact CB-O 3.37Å; S338-W341 PolarHBondContact OG-N 3.16Å; S338-P342 WeakPolarHBondContact O-CA 3.4Å
339	K	93.2	Very high	90.4	Very high	180 Å²	180	60.4 Å²	60.4	78%	0.783	33%	0.326	S	S	*	.	S	Bend	trans	-79.1	-34.3	167.5	-66.3	-176.2	178.8	-177.9	0	111.8	D255	D255-K339 PolarHBondContact OD1-N 2.76Å; D255-K339 PolarHBondContact OD2-N 2.94Å
340	A	93.3	Very high	89.7	Confident	62 Å²	62	61.2 Å²	61.2	51%	0.512	33%	0.33	S	S	.	.	S	Bend	trans	-76.8	-35.8	-178.9	0	0	0	0	0	112.7	D255 S338	D255-A340 PolarHBondContact OD1-N 3.01Å; S338-A340 PolarHBondContact OG-N 3.31Å; S338-A340 VanDerWaalsContact OG-N 3.16Å
341	W	92.1	Very high	89	Confident	53 Å²	53	69.3 Å²	69.3	20%	0.201	37%	0.37	C	S	.	.	S	Bend	trans	-128.1	70.8	-179.1	-52.2	-72	0	0	0	109.8	F258 L263 V266 N268 S338	F258-W341 HydrophobicContact CB-CH2 3.88Å; F258-W341 HydrophobicContact CB-CZ3 4.05Å; F258-W341 HydrophobicContact CD2-CH2 4.34Å; F258-W341 AromaticContact CD2-CZ3 3.74Å; F258-W341 HydrophobicContact CD2-CZ3 3.74Å; F258-W341 HydrophobicContact CG-CH2 4.32Å; F258-W341 HydrophobicContact CG-CZ3 4.17Å; L263-W341 HydrophobicContact CD1-CH2 3.48Å; L263-W341 VanDerWaalsContact CD1-CH2 3.48Å; L263-W341 HydrophobicContact CD1-CZ2 3.59Å; L263-W341 HydrophobicContact CD1-CZ3 4.38Å; V266-W341 HydrophobicContact CB-CB 4.39Å; V266-W341 HydrophobicContact CB-CD2 3.79Å; V266-W341 HydrophobicContact CB-CG 3.69Å; V266-W341 HydrophobicContact CG1-CB 4.24Å; V266-W341 HydrophobicContact CG1-CD2 4.08Å; V266-W341 HydrophobicContact CG1-CE3 4.44Å; V266-W341 HydrophobicContact CG1-CG 3.98Å; V266-W341 HydrophobicContact CG2-CD2 3.96Å; V266-W341 HydrophobicContact CG2-CE3 4.45Å; V266-W341 HydrophobicContact CG2-CG 4.37Å; V266-W341 HydrophobicContact CG2-CH2 4.48Å; V266-W341 HydrophobicContact CG2-CZ2 3.96Å; N268-W341 HydrophobicContact CB-CB 4.43Å; N268-W341 VanDerWaalsContact CB-O 3.26Å; N268-W341 WeakPolarHBondContact CB-O 3.43Å; N268-W341 PolarHBondContact ND2-O 3.16Å; S338-W341 WeakPolarHBondContact CB-O 3.37Å; S338-W341 PolarHBondContact OG-N 3.16Å
342	P	91.9	Very high	88.6	Confident	93 Å²	93	70.7 Å²	70.7	60%	0.604	38%	0.375	S	S	*	.			trans	-59.9	142.1	-175.7	26.2	-34.8	0	0	0	111	S338 N344	S338-P342 WeakPolarHBondContact O-CA 3.4Å; P342-N344 PolarHBondContact O-N 3.37Å
343	L	90	Very high	88.6	Confident	44 Å²	44	67.6 Å²	67.6	23%	0.23	36%	0.355	C	S	.	.			trans	-67.1	125.5	170.9	177.5	60.5	0	0	0	109.2	N268 G270 M345 P353 M356	N268-L343 WeakPolarHBondContact O-CD1 3.34Å; G270-L343 VanDerWaalsContact N-CD1 3.28Å; L343-M345 HydrophobicContact CD1-SD 4.41Å; L343-M345 HydrophobicContact CD2-CG 3.77Å; L343-M345 HydrophobicContact CD2-SD 4.04Å; L343-M345 HydrophobicContact CG-CG 3.81Å; L343-M345 HydrophobicContact CG-SD 4.13Å; L343-M345 PolarHBondContact O-N 2.65Å; L343-P353 HydrophobicContact CD2-CG 4.44Å; L343-M356 HydrophobicContact CD2-CE 3.95Å
344	N	84.4	Confident	88.6	Confident	121 Å²	121	68.7 Å²	68.7	65%	0.647	36%	0.357	S	S	*	.			trans	-90.2	97.8	177.2	-174.6	-1.2	0	0	0	111.1	P342 S346	P342-N344 PolarHBondContact O-N 3.37Å; N344-S346 VanDerWaalsContact OD1-CB 3.28Å; N344-S346 WeakPolarHBondContact OD1-CB 3.43Å; N344-S346 PolarHBondContact OD1-N 3.22Å; N344-S346 VanDerWaalsContact OD1-N 3.09Å; N344-S346 PolarHBondContact OD1-OG 3.01Å
345	M	83.3	Confident	88.6	Confident	16 Å²	16	65.5 Å²	65.5	8%	0.079	34%	0.344	C	S	.	.			trans	-106.9	22.8	172.8	-63.2	-58.8	-77.1	0	0	112.5	H201 L343 H347 Y348 N349 L350 P353 M356	H201-M345 HydrophobicContact CB-CE 4.31Å; H201-M345 WeakPolarHBondContact ND1-CE 3.14Å; L343-M345 HydrophobicContact CD1-SD 4.41Å; L343-M345 HydrophobicContact CD2-CG 3.77Å; L343-M345 HydrophobicContact CD2-SD 4.04Å; L343-M345 HydrophobicContact CG-CG 3.81Å; L343-M345 HydrophobicContact CG-SD 4.13Å; L343-M345 PolarHBondContact O-N 2.65Å; M345-H347 PolarHBondContact O-N 3.25Å; M345-Y348 HydrophobicContact CE-CD2 3.45Å; M345-Y348 VanDerWaalsContact CE-CD2 3.45Å; M345-Y348 HydrophobicContact CE-CE2 3.76Å; M345-Y348 HydrophobicContact CE-CG 4.44Å; M345-Y348 PolarHBondContact O-N 3.43Å; M345-Y348 HydrophobicContact SD-CD2 4.32Å; M345-N349 PolarHBondContact O-N 2.87Å; M345-L350 HydrophobicContact CB-CB 4.19Å; M345-L350 WeakPolarHBondContact CB-O 3.34Å; M345-L350 PolarHBondContact O-N 3.48Å; M345-P353 HydrophobicContact CE-CB 4.35Å; M345-M356 HydrophobicContact CE-CE 3.81Å; M345-M356 HydrophobicContact SD-CE 3.94Å
346	S	73.9	Confident	88.6	Confident	88 Å²	88	65.5 Å²	65.5	62%	0.615	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-59.5	-32.2	-175.4	57.3	0	0	0	0	113.2	N344 Y348 N349	N344-S346 VanDerWaalsContact OD1-CB 3.28Å; N344-S346 WeakPolarHBondContact OD1-CB 3.43Å; N344-S346 PolarHBondContact OD1-N 3.22Å; N344-S346 VanDerWaalsContact OD1-N 3.09Å; N344-S346 PolarHBondContact OD1-OG 3.01Å; S346-Y348 PolarHBondContact O-N 3.21Å; S346-N349 PolarHBondContact O-N 3.27Å
347	H	71.9	Confident	88.7	Confident	103 Å²	103	65.8 Å²	65.8	48%	0.477	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-56	-35.4	175.8	-174.5	60.2	0	0	0	112.6	Y160 M345	Y160-H347 AromaticContact CE1-CE1 3.96Å; Y160-H347 AromaticContact CZ-CE1 3.88Å; Y160-H347 PolarHBondContact OH-CE1 3.46Å; Y160-H347 PolarHBondContact OH-NE2 2.74Å; M345-H347 PolarHBondContact O-N 3.25Å
348	Y	78.2	Confident	88.7	Confident	36 Å²	36	62.6 Å²	62.6	14%	0.141	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-94.2	-5.4	178.3	-52.5	-75.5	0	0	0	113.5	D197 R198 H201 R202 M345 S346 L350	D197-Y348 WeakPolarHBondContact OD2-CE1 3.47Å; D197-Y348 PolarHBondContact OD2-OH 2.87Å; R198-Y348 HydrophobicContact CB-CD1 3.97Å; R198-Y348 HydrophobicContact CB-CE1 4.25Å; R198-Y348 HydrophobicContact CG-CD1 3.89Å; H201-Y348 AromaticContact CD2-CE1 3.77Å; H201-Y348 AromaticContact CD2-CE2 3.53Å; H201-Y348 AromaticContact CD2-CZ 3.35Å; H201-Y348 AromaticContact NE2-CE2 3.66Å; H201-Y348 AromaticContact NE2-CZ 3.64Å; H201-Y348 PolarHBondContact NE2-OH 3.41Å; R202-Y348 PolarHBondContact NH2-O 2.92Å; R202-Y348 VanDerWaalsContact NH2-O 3.14Å; M345-Y348 HydrophobicContact CE-CD2 3.45Å; M345-Y348 VanDerWaalsContact CE-CD2 3.45Å; M345-Y348 HydrophobicContact CE-CE2 3.76Å; M345-Y348 HydrophobicContact CE-CG 4.44Å; M345-Y348 PolarHBondContact O-N 3.43Å; M345-Y348 HydrophobicContact SD-CD2 4.32Å; S346-Y348 PolarHBondContact O-N 3.21Å; Y348-L350 HydrophobicContact CG-CD1 4.41Å; Y348-L350 WeakPolarHBondContact O-CD1 3.25Å
349	N	80.9	Confident	88.8	Confident	144 Å²	144	62.4 Å²	62.4	77%	0.77	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	49.4	-169.2	-168.3	27.1	0	0	0	112.1	M345 S346	M345-N349 PolarHBondContact O-N 2.87Å; S346-N349 PolarHBondContact O-N 3.27Å
350	L	83.6	Confident	89	Confident	25 Å²	25	55.6 Å²	55.6	13%	0.131	30%	0.301	C	S	.	.			trans	-123	146.1	-176.6	-90.2	122.7	0	0	0	112.5	R202 M345 Y348	R202-L350 HydrophobicContact CB-CD1 4.08Å; R202-L350 HydrophobicContact CB-CD2 4.08Å; R202-L350 HydrophobicContact CG-CD2 4.15Å; M345-L350 HydrophobicContact CB-CB 4.19Å; M345-L350 WeakPolarHBondContact CB-O 3.34Å; M345-L350 PolarHBondContact O-N 3.48Å; Y348-L350 HydrophobicContact CG-CD1 4.41Å; Y348-L350 WeakPolarHBondContact O-CD1 3.25Å
351	I	82.2	Confident	89.1	Confident	174 Å²	174	52.6 Å²	52.6	89%	0.892	28%	0.276	S	S	*	.	S	Bend	trans	-111.3	-40.4	175.3	-59	175	0	0	0	110.9
352	D	89.6	Confident	89.3	Confident	69 Å²	69	52.4 Å²	52.4	37%	0.369	28%	0.278	S	S	.	.	S	Bend	trans	-127.5	89.8	-176.7	-173	38.7	0	0	0	110.2	Q251 K354	Q251-D352 PolarHBondContact NE2-OD1 3.39Å; D352-K354 IonicContact OD2-NZ 2.83Å; D352-K354 PolarHBondContact OD2-NZ 3.18Å
353	P	95.1	Very high	89.5	Confident	2 Å²	2	49.4 Å²	49.4	1%	0.013	26%	0.256	C	S	.	.			trans	-72.1	143.9	-175.7	30.4	-34.1	0	0	0	111.5	H201 V248 I335 L343 M345 M356	H201-P353 CarbonylContact O-C 3.54Å; H201-P353 WeakPolarHBondContact O-CA 3.4Å; V248-P353 WeakPolarHBondContact CB-O 3.27Å; V248-P353 WeakPolarHBondContact CG1-O 3.28Å; I335-P353 HydrophobicContact CD1-CG 3.93Å; L343-P353 HydrophobicContact CD2-CG 4.44Å; M345-P353 HydrophobicContact CE-CB 4.35Å; P353-M356 HydrophobicContact CB-CE 4.01Å; P353-M356 HydrophobicContact CG-CE 3.64Å
354	K	97.2	Very high	89.9	Confident	86 Å²	86	49.9 Å²	49.9	37%	0.374	26%	0.262	S	S	.	.	S	Bend	trans	-99.7	-8.9	174.8	-57	-57.8	168	-159.3	0	113	H201 R202 G204 V248 D352	H201-K354 PolarHBondContact O-N 3.2Å; R202-K354 WeakPolarHBondContact O-CG 3.46Å; G204-K354 WeakPolarHBondContact CA-O 3.42Å; V248-K354 PolarHBondContact N-O 3.2Å; D352-K354 IonicContact OD2-NZ 2.83Å; D352-K354 PolarHBondContact OD2-NZ 3.18Å
355	G	97.7	Very high	90.6	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	151.7	167.6	0	0	0	0	0	111.2	G200 H201 A246	G200-G355 WeakPolarHBondContact O-CA 3.37Å; G200-G355 PolarHBondContact O-N 3.09Å; H201-G355 PolarHBondContact ND1-O 3.38Å; H201-G355 PolarHBondContact O-N 2.83Å; A246-G355 CarbonylContact O-C 3.48Å; A246-G355 WeakPolarHBondContact O-CA 3.31Å
356	M	97	Very high	91.3	Very high	5 Å²	5	44.6 Å²	44.6	3%	0.025	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	153.3	173.7	-170.4	57	58.1	0	0	110.9	M245 A246 V248 I335 L343 M345 P353 Y359	M245-M356 VanDerWaalsContact SD-CA 3.56Å; M245-M356 PolarHBondContact SD-N 3.32Å; A246-M356 PolarHBondContact N-O 3.46Å; A246-M356 PolarHBondContact O-N 2.91Å; V248-M356 HydrophobicContact CG2-CB 3.51Å; I335-M356 HydrophobicContact CG2-CB 3.89Å; I335-M356 HydrophobicContact CG2-CG 4Å; L343-M356 HydrophobicContact CD2-CE 3.95Å; M345-M356 HydrophobicContact CE-CE 3.81Å; M345-M356 HydrophobicContact SD-CE 3.94Å; P353-M356 HydrophobicContact CB-CE 4.01Å; P353-M356 HydrophobicContact CG-CE 3.64Å; M356-Y359 HydrophobicContact CB-CE2 3.9Å; M356-Y359 HydrophobicContact CG-CE2 4.12Å; M356-Y359 WeakPolarHBondContact O-CE2 3.38Å
357	H	97.2	Very high	92.5	Very high	7 Å²	7	40.6 Å²	40.6	3%	0.032	21%	0.206	C	C	.	.			trans	-126.4	-177	172.6	62.7	82.3	0	0	0	110	A82 E83 D197 H201 H243 G244 S271 M366	A82-H357 PolarHBondContact O-ND1 3.32Å; E83-H357 IonicContact OE2-CE1 3.92Å; E83-H357 PolarHBondContact OE2-CE1 3.23Å; E83-H357 IonicContact OE2-ND1 3.2Å; D197-H357 IonicContact OD1-CD2 2.66Å; D197-H357 PolarHBondContact OD1-CD2 3.2Å; D197-H357 IonicContact OD1-NE2 3.42Å; H201-H357 AromaticContact CE1-CD2 3.57Å; H201-H357 AromaticContact CE1-NE2 3.74Å; H201-H357 AromaticContact NE2-CD2 3.39Å; H201-H357 PolarHBondContact NE2-CD2 3.34Å; H201-H357 AromaticContact NE2-NE2 3.27Å; H201-H357 PolarHBondContact NE2-NE2 2.99Å; H243-H357 AromaticContact CD2-ND1 3.85Å; H243-H357 AromaticContact CE1-CD2 3.35Å; H243-H357 PolarHBondContact CE1-CD2 2.64Å; H243-H357 AromaticContact CE1-CE1 3.57Å; H243-H357 AromaticContact CE1-CG 3.35Å; H243-H357 AromaticContact CE1-ND1 3.48Å; H243-H357 PolarHBondContact CE1-ND1 2.76Å; H243-H357 AromaticContact CE1-NE2 3.56Å; H243-H357 AromaticContact ND1-CD2 3.85Å; H243-H357 AromaticContact ND1-CG 3.47Å; H243-H357 AromaticContact ND1-ND1 3.81Å; H243-H357 AromaticContact NE2-CD2 3.98Å; H243-H357 AromaticContact NE2-CE1 3.39Å; H243-H357 PolarHBondContact NE2-CE1 3.48Å; H243-H357 AromaticContact NE2-CG 3.81Å; H243-H357 AromaticContact NE2-ND1 3.42Å; H243-H357 PolarHBondContact NE2-ND1 3.29Å; H243-H357 AromaticContact NE2-NE2 3.78Å; G244-H357 WeakPolarHBondContact O-CB 3.29Å; S271-H357 WeakPolarHBondContact CB-O 3.29Å; S271-H357 PolarHBondContact OG-O 3.04Å; H357-M366 HydrophobicContact CB-CE 4.3Å; H357-M366 HydrophobicContact CB-SD 4.12Å
358	G	95.8	Very high	93.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.183	C	C	.	.			trans	90.9	4.6	-175.9	0	0	0	0	0	115.7	A82 S271 T272	A82-G358 VanDerWaalsContact O-CA 3.25Å; A82-G358 WeakPolarHBondContact O-CA 3.4Å; A82-G358 PolarHBondContact O-N 3.14Å; S271-G358 WeakPolarHBondContact OG-CA 3.31Å; S271-G358 PolarHBondContact OG-O 2.04Å; T272-G358 WeakPolarHBondContact CG2-O 3.15Å
359	Y	97.2	Very high	94.7	Very high	3 Å²	3	34 Å²	34	1%	0.012	18%	0.176	C	C	.	.	S	Bend	trans	-65.8	-177.9	172.5	-62.7	-87.1	0	0	0	111.9	A246 A330 Y334 M356 P361 L363 M366	A246-Y359 HydrophobicContact CB-CD2 3.94Å; A246-Y359 HydrophobicContact CB-CE2 3.66Å; A330-Y359 HydrophobicContact CB-CE1 4.04Å; A330-Y359 WeakPolarHBondContact O-CD1 3.16Å; Y334-Y359 WeakPolarHBondContact O-CE1 3.46Å; Y334-Y359 PolarHBondContact O-OH 3.44Å; M356-Y359 HydrophobicContact CB-CE2 3.9Å; M356-Y359 HydrophobicContact CG-CE2 4.12Å; M356-Y359 WeakPolarHBondContact O-CE2 3.38Å; Y359-P361 WeakPolarHBondContact O-CD 3.34Å; Y359-L363 HydrophobicContact CG-CD2 4.25Å; Y359-M366 HydrophobicContact CD2-CE 4Å; Y359-M366 HydrophobicContact CD2-SD 4.04Å
360	D	96.1	Very high	95.5	Very high	36 Å²	36	27.1 Å²	27.1	19%	0.193	14%	0.14	C	C	.	.			trans	-52.2	122.1	167.3	-172.7	-18.1	0	0	0	110.3	W310 E362 L363	W310-D360 HydrophobicContact CZ2-CB 4.25Å; W310-D360 PolarHBondContact NE1-OD1 3.49Å; W310-D360 VanDerWaalsContact NE1-OD1 3.12Å; D360-E362 PolarHBondContact O-N 3.24Å; D360-E362 VanDerWaalsContact O-N 3.13Å; D360-E362 PolarHBondContact OD1-N 2.87Å; D360-L363 WeakPolarHBondContact O-CB 3.29Å; D360-L363 PolarHBondContact O-N 3.4Å
361	P	96.4	Very high	96.2	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-28.4	177.6	-29.4	34.2	0	0	0	114.4	T77 P78 F80 Y359 L363 H367	T77-P361 HydrophobicContact CG2-CB 3.74Å; T77-P361 WeakPolarHBondContact CG2-O 3.21Å; P78-P361 HydrophobicContact CG-CB 4.07Å; P78-P361 WeakPolarHBondContact O-CB 3.3Å; F80-P361 HydrophobicContact CB-CG 3.77Å; F80-P361 HydrophobicContact CD2-CG 4.28Å; Y359-P361 WeakPolarHBondContact O-CD 3.34Å; P361-L363 PolarHBondContact O-N 3.45Å; P361-H367 PolarHBondContact O-CD2 3.07Å; P361-H367 PolarHBondContact O-NE2 2.82Å; P361-H367 VanDerWaalsContact O-NE2 3.17Å
362	E	95.5	Very high	97	Very high	49 Å²	49	17.6 Å²	17.6	23%	0.229	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-12.9	178.5	-61.3	-60.1	133.6	0	0	112.9	H309 D360 P364 R390	H309-E362 IonicContact CD2-OE1 3.14Å; D360-E362 PolarHBondContact O-N 3.24Å; D360-E362 VanDerWaalsContact O-N 3.13Å; D360-E362 PolarHBondContact OD1-N 2.87Å; E362-P364 VanDerWaalsContact O-CD 3.31Å; E362-P364 WeakPolarHBondContact O-CD 3.45Å; E362-R390 IonicContact OE1-CZ 3.21Å; E362-R390 IonicContact OE1-NH1 2.7Å; E362-R390 PolarHBondContact OE1-NH1 2.98Å; E362-R390 VanDerWaalsContact OE1-NH1 3.09Å; E362-R390 IonicContact OE1-NH2 3.79Å; E362-R390 PolarHBondContact OE1-NH2 3.47Å
363	L	97	Very high	97.3	Very high	30 Å²	30	15 Å²	15	16%	0.157	8%	0.076	C	C	.	.	S	Bend	trans	-64.6	121.1	170.6	-176.8	65.6	0	0	0	109.1	A246 P332 Y359 D360 P361 D365 M366 H367	A246-L363 HydrophobicContact CB-CD2 4.34Å; P332-L363 HydrophobicContact CB-CD1 4.12Å; P332-L363 HydrophobicContact CB-CD2 4.4Å; P332-L363 HydrophobicContact CG-CD1 3.61Å; P332-L363 HydrophobicContact CG-CD2 4.27Å; Y359-L363 HydrophobicContact CG-CD2 4.25Å; D360-L363 WeakPolarHBondContact O-CB 3.29Å; D360-L363 PolarHBondContact O-N 3.4Å; P361-L363 PolarHBondContact O-N 3.45Å; L363-D365 HydrophobicContact CD2-CB 3.9Å; L363-D365 HydrophobicContact CG-CB 3.9Å; L363-D365 PolarHBondContact O-N 3.01Å; L363-M366 HydrophobicContact CB-CG 4.19Å; L363-M366 WeakPolarHBondContact O-CB 3.4Å; L363-M366 PolarHBondContact O-N 3.32Å; L363-H367 PolarHBondContact O-CD2 3.06Å
364	P	97.5	Very high	97.4	Very high	54 Å²	54	15.1 Å²	15.1	35%	0.351	8%	0.077	S	C	.	.	G	3₁₀ helix	trans	-51.1	-30.7	179.2	-34.7	40.9	0	0	0	114.9	W47 E362 M366 H367	W47-P364 PolarHBondContact NE1-O 2.98Å; E362-P364 VanDerWaalsContact O-CD 3.31Å; E362-P364 WeakPolarHBondContact O-CD 3.45Å; P364-M366 PolarHBondContact O-N 3.07Å; P364-H367 WeakPolarHBondContact O-CB 3.45Å; P364-H367 PolarHBondContact O-N 2.63Å; P364-H367 VanDerWaalsContact O-N 3.11Å
365	D	98.3	Very high	97.2	Very high	26 Å²	26	13.8 Å²	13.8	14%	0.139	8%	0.077	C	C	.	.	G	3₁₀ helix	trans	-61.1	-24.4	177.6	-66.6	21.8	0	0	0	113.3	R46 G244 M245 A246 L363	R46-D365 WeakPolarHBondContact CD-O 3.41Å; R46-D365 WeakPolarHBondContact CG-O 3.37Å; R46-D365 IonicContact CZ-OD1 3.36Å; R46-D365 IonicContact CZ-OD2 3.7Å; R46-D365 VanDerWaalsContact NH1-CB 3.3Å; R46-D365 IonicContact NH1-OD1 3.77Å; R46-D365 IonicContact NH1-OD2 3.82Å; R46-D365 PolarHBondContact NH1-OD2 2.74Å; R46-D365 IonicContact NH2-OD1 2.7Å; R46-D365 PolarHBondContact NH2-OD1 2.65Å; R46-D365 IonicContact NH2-OD2 2.61Å; R46-D365 PolarHBondContact NH2-OD2 2.76Å; G244-D365 CarbonylContact C-O 3.48Å; G244-D365 VanDerWaalsContact CA-O 3.31Å; G244-D365 WeakPolarHBondContact CA-O 3.31Å; M245-D365 PolarHBondContact N-O 3.08Å; A246-D365 HydrophobicContact CB-CB 3.95Å; L363-D365 HydrophobicContact CD2-CB 3.9Å; L363-D365 HydrophobicContact CG-CB 3.9Å; L363-D365 PolarHBondContact O-N 3.01Å
366	M	98.4	Very high	97	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-87.2	-11	178.6	-59.8	-62.5	90.5	0	0	112.7	P78 A82 G244 A246 H357 Y359 L363 P364	P78-M366 VanDerWaalsContact CD-O 3.26Å; P78-M366 WeakPolarHBondContact CD-O 3.4Å; P78-M366 HydrophobicContact CG-CB 3.89Å; P78-M366 VanDerWaalsContact CG-O 3.28Å; P78-M366 WeakPolarHBondContact CG-O 3.16Å; A82-M366 HydrophobicContact CB-CB 3.98Å; A82-M366 HydrophobicContact CB-CG 3.87Å; A82-M366 HydrophobicContact CB-SD 3.68Å; G244-M366 PolarHBondContact N-O 2.83Å; A246-M366 HydrophobicContact CB-CE 3.9Å; A246-M366 VanDerWaalsContact N-CE 3.32Å; H357-M366 HydrophobicContact CB-CE 4.3Å; H357-M366 HydrophobicContact CB-SD 4.12Å; Y359-M366 HydrophobicContact CD2-CE 4Å; Y359-M366 HydrophobicContact CD2-SD 4.04Å; L363-M366 HydrophobicContact CB-CG 4.19Å; L363-M366 WeakPolarHBondContact O-CB 3.4Å; L363-M366 PolarHBondContact O-N 3.32Å; P364-M366 PolarHBondContact O-N 3.07Å
367	H	98.6	Very high	96.9	Very high	3 Å²	3	15.1 Å²	15.1	1%	0.014	9%	0.085	C	C	.	.			trans	-76	152.8	-173.8	-63.8	-165.7	0	0	0	112.5	W47 R75 F76 T77 P361 L363 P364 F385	W47-H367 HydrophobicContact CG-CB 4.18Å; W47-H367 PolarHBondContact N-O 2.57Å; W47-H367 VanDerWaalsContact N-O 3.1Å; R75-H367 HydrophobicContact CB-CB 3.99Å; R75-H367 HydrophobicContact CG-CB 4.13Å; R75-H367 PolarHBondContact NH1-ND1 3.03Å; F76-H367 WeakPolarHBondContact O-CA 3.39Å; F76-H367 WeakPolarHBondContact O-CB 3.25Å; T77-H367 PolarHBondContact OG1-CE1 2.84Å; T77-H367 PolarHBondContact OG1-NE2 3.01Å; P361-H367 PolarHBondContact O-CD2 3.07Å; P361-H367 PolarHBondContact O-NE2 2.82Å; P361-H367 VanDerWaalsContact O-NE2 3.17Å; L363-H367 PolarHBondContact O-CD2 3.06Å; P364-H367 WeakPolarHBondContact O-CB 3.45Å; P364-H367 PolarHBondContact O-N 2.63Å; P364-H367 VanDerWaalsContact O-N 3.11Å; H367-F385 AromaticContact CE1-CE2 3.61Å; H367-F385 AromaticContact CE1-CZ 3.45Å; H367-F385 VanDerWaalsContact CE1-CZ 3.45Å; H367-F385 WeakPolarHBondContact CE1-CZ 3.47Å; H367-F385 AromaticContact ND1-CE2 3.64Å; H367-F385 AromaticContact ND1-CZ 3.91Å
368	I	98.4	Very high	96.8	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	134.1	-165.3	-59.8	152.2	0	0	0	110	R75 F76 P78 T240 S241 D242	R75-I368 CarbonylContact C-O 3.56Å; R75-I368 WeakPolarHBondContact CA-O 3.32Å; F76-I368 HydrophobicContact CD1-CB 4.28Å; F76-I368 HydrophobicContact CD1-CG2 4.4Å; F76-I368 WeakPolarHBondContact CD1-O 3.34Å; F76-I368 HydrophobicContact CD2-CB 4.46Å; F76-I368 HydrophobicContact CD2-CD1 4.35Å; F76-I368 HydrophobicContact CE1-CB 3.78Å; F76-I368 HydrophobicContact CE1-CG2 3.5Å; F76-I368 VanDerWaalsContact CE1-CG2 3.5Å; F76-I368 HydrophobicContact CE2-CB 3.99Å; F76-I368 HydrophobicContact CE2-CD1 3.59Å; F76-I368 HydrophobicContact CE2-CG1 4.44Å; F76-I368 HydrophobicContact CE2-CG2 4.23Å; F76-I368 HydrophobicContact CZ-CB 3.62Å; F76-I368 HydrophobicContact CZ-CD1 3.85Å; F76-I368 HydrophobicContact CZ-CG1 4.39Å; F76-I368 HydrophobicContact CZ-CG2 3.39Å; F76-I368 PolarHBondContact N-O 3.35Å; F76-I368 PolarHBondContact O-N 3.31Å; P78-I368 HydrophobicContact CB-CD1 4.07Å; P78-I368 HydrophobicContact CG-CD1 4.47Å; T240-I368 WeakPolarHBondContact OG1-CG2 3.4Å; S241-I368 VanDerWaalsContact N-CG2 3.28Å; D242-I368 VanDerWaalsContact C-CD1 3.42Å; D242-I368 WeakPolarHBondContact O-CD1 3.31Å
369	P	98.2	Very high	96.7	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	154.9	172.8	34.3	-31.5	0	0	0	111.3	L45 W47 I50 Y72 F371	L45-P369 HydrophobicContact CD2-CG 3.87Å; L45-P369 HydrophobicContact CG-CG 4.06Å; L45-P369 WeakPolarHBondContact O-CD 3.32Å; W47-P369 HydrophobicContact CB-CB 4.37Å; I50-P369 HydrophobicContact CB-CG 4.38Å; I50-P369 HydrophobicContact CG1-CG 4.11Å; Y72-P369 HydrophobicContact CE2-CB 4.12Å; P369-F371 HydrophobicContact CB-CE2 4.01Å; P369-F371 HydrophobicContact CG-CE2 4.39Å
370	L	98.5	Very high	96.5	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	123.7	173.3	170.8	73.4	0	0	0	110	Y72 L73 F76 M238 I372 I394 L397 F415	Y72-L370 WeakPolarHBondContact CA-O 3.1Å; Y72-L370 WeakPolarHBondContact CD2-O 3.2Å; L73-L370 HydrophobicContact CB-CB 4.14Å; L73-L370 HydrophobicContact CB-CD2 4.31Å; L73-L370 HydrophobicContact CD2-CD2 4.2Å; L73-L370 PolarHBondContact N-O 2.83Å; L73-L370 PolarHBondContact O-N 2.73Å; L73-L370 VanDerWaalsContact O-N 3.09Å; F76-L370 HydrophobicContact CD1-CB 4.11Å; F76-L370 HydrophobicContact CE1-CB 3.98Å; M238-L370 HydrophobicContact CE-CD1 4.26Å; M238-L370 HydrophobicContact CG-CD1 3.6Å; M238-L370 HydrophobicContact SD-CD1 3.82Å; L370-I372 HydrophobicContact CD1-CG1 4.36Å; L370-I372 HydrophobicContact CD2-CD1 4.34Å; L370-I372 HydrophobicContact CD2-CG1 4.46Å; L370-I372 HydrophobicContact CG-CG1 4.19Å; L370-I394 HydrophobicContact CD2-CD1 4Å; L370-L397 HydrophobicContact CD2-CD2 3.78Å; L370-F415 HydrophobicContact CD2-CE1 4.22Å
371	F	98.4	Very high	96.6	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	143.2	168.5	-55.9	-100.2	0	0	0	110	I50 L54 F63 L66 Q67 A71 Y72 M238 L239 P369	I50-F371 HydrophobicContact CG2-CE2 3.89Å; I50-F371 HydrophobicContact CG2-CZ 3.63Å; L54-F371 HydrophobicContact CD1-CE1 4.35Å; L54-F371 HydrophobicContact CD1-CZ 4.14Å; F63-F371 HydrophobicContact CD1-CE2 4.07Å; F63-F371 HydrophobicContact CD1-CZ 4.11Å; F63-F371 HydrophobicContact CE1-CE2 4.37Å; L66-F371 HydrophobicContact CB-CB 4.36Å; L66-F371 HydrophobicContact CB-CD1 3.83Å; L66-F371 HydrophobicContact CB-CE1 4.5Å; L66-F371 HydrophobicContact CB-CG 4.3Å; L66-F371 HydrophobicContact CD1-CB 4.34Å; L66-F371 HydrophobicContact CD1-CG 4.4Å; Q67-F371 HydrophobicContact CB-CE1 4.12Å; A71-F371 WeakPolarHBondContact O-CA 3.4Å; Y72-F371 AromaticContact CD2-CD1 3.48Å; Y72-F371 HydrophobicContact CD2-CD1 3.48Å; Y72-F371 VanDerWaalsContact CD2-CD1 3.48Å; Y72-F371 HydrophobicContact CD2-CD2 4.24Å; Y72-F371 AromaticContact CD2-CE1 3.24Å; Y72-F371 HydrophobicContact CD2-CE1 3.24Å; Y72-F371 HydrophobicContact CD2-CE2 4.04Å; Y72-F371 AromaticContact CD2-CG 3.97Å; Y72-F371 HydrophobicContact CD2-CG 3.97Å; Y72-F371 AromaticContact CD2-CZ 3.55Å; Y72-F371 HydrophobicContact CD2-CZ 3.55Å; Y72-F371 HydrophobicContact CE2-CD1 4.14Å; Y72-F371 HydrophobicContact CE2-CD2 4.37Å; Y72-F371 AromaticContact CE2-CE1 3.51Å; Y72-F371 HydrophobicContact CE2-CE1 3.51Å; Y72-F371 AromaticContact CE2-CE2 3.77Å; Y72-F371 HydrophobicContact CE2-CE2 3.77Å; Y72-F371 AromaticContact CE2-CZ 3.29Å; Y72-F371 HydrophobicContact CE2-CZ 3.29Å; Y72-F371 HydrophobicContact CG-CD1 4.14Å; Y72-F371 AromaticContact CG-CE1 3.92Å; Y72-F371 HydrophobicContact CG-CE1 3.92Å; M238-F371 CarbonylContact C-O 3.45Å; M238-F371 WeakPolarHBondContact CA-O 3.21Å; L239-F371 HydrophobicContact CB-CB 4.19Å; L239-F371 HydrophobicContact CB-CD2 4.45Å; L239-F371 HydrophobicContact CD2-CD2 3.93Å; L239-F371 HydrophobicContact CD2-CE2 4.48Å; L239-F371 HydrophobicContact CG-CD2 4.38Å; L239-F371 PolarHBondContact N-O 3.25Å; L239-F371 PolarHBondContact O-N 3.39Å; P369-F371 HydrophobicContact CB-CE2 4.01Å; P369-F371 HydrophobicContact CG-CE2 4.39Å
372	I	98	Very high	96.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	135.5	174.5	-38.6	170	0	0	0	108.1	G70 A71 L237 L370 I377 L397 L401 L418	G70-I372 CarbonylContact C-O 3.51Å; G70-I372 WeakPolarHBondContact CA-O 3.46Å; A71-I372 HydrophobicContact CB-CB 4.41Å; A71-I372 PolarHBondContact N-O 3.24Å; A71-I372 PolarHBondContact O-N 2.96Å; L237-I372 CarbonylContact O-C 3.56Å; L237-I372 WeakPolarHBondContact O-CA 3.21Å; L370-I372 HydrophobicContact CD1-CG1 4.36Å; L370-I372 HydrophobicContact CD2-CD1 4.34Å; L370-I372 HydrophobicContact CD2-CG1 4.46Å; L370-I372 HydrophobicContact CG-CG1 4.19Å; I372-I377 HydrophobicContact CB-CG2 3.95Å; I372-I377 HydrophobicContact CG2-CG2 3.49Å; I372-I377 VanDerWaalsContact CG2-CG2 3.49Å; I372-L397 HydrophobicContact CD1-CD1 4.17Å; I372-L397 HydrophobicContact CD1-CD2 3.71Å; I372-L397 HydrophobicContact CD1-CG 4.35Å; I372-L401 HydrophobicContact CG2-CD1 3.65Å; I372-L401 HydrophobicContact CG2-CD2 4.45Å; I372-L418 HydrophobicContact CD1-CB 4.46Å; I372-L418 HydrophobicContact CD1-CD1 4.02Å
373	Y	97.7	Very high	96.5	Very high	15 Å²	15	31.3 Å²	31.3	6%	0.059	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	141.9	178.9	-171	-90.3	0	0	0	109.4	L66 N69 L226 I229 E230 N236 L237	L66-Y373 HydrophobicContact CD2-CD2 4.5Å; L66-Y373 HydrophobicContact CD2-CG 4.43Å; N69-Y373 HydrophobicContact CB-CE2 3.7Å; L226-Y373 HydrophobicContact CD2-CD1 3.56Å; L226-Y373 HydrophobicContact CD2-CD2 3.95Å; L226-Y373 HydrophobicContact CD2-CE1 3.87Å; L226-Y373 HydrophobicContact CD2-CE2 4.26Å; L226-Y373 HydrophobicContact CD2-CG 3.59Å; I229-Y373 HydrophobicContact CD1-CD1 3.73Å; I229-Y373 HydrophobicContact CD1-CE1 4.36Å; I229-Y373 HydrophobicContact CG1-CD1 4.37Å; E230-Y373 HydrophobicContact CG-CE1 3.73Å; E230-Y373 PolarHBondContact OE1-OH 2.74Å; N236-Y373 CarbonylContact C-O 3.52Å; N236-Y373 VanDerWaalsContact CA-O 3.24Å; N236-Y373 WeakPolarHBondContact CA-O 3.46Å; L237-Y373 PolarHBondContact N-O 3.38Å; L237-Y373 PolarHBondContact O-N 2.87Å
374	G	95.8	Very high	96.5	Very high	4 Å²	4	35.6 Å²	35.6	4%	0.041	19%	0.192	C	C	.	.	S	Bend	trans	144.5	-169.8	177.5	0	0	0	0	0	113.6	I377	G374-I377 WeakPolarHBondContact O-CG1 3.4Å
375	P	93.5	Very high	96.3	Very high	57 Å²	57	35.3 Å²	35.3	37%	0.37	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-21.3	-178.8	26	-30.1	0	0	0	114	L235 N236 I377	L235-P375 WeakPolarHBondContact O-CD 3.18Å; N236-P375 WeakPolarHBondContact OD1-CD 3.24Å; P375-I377 VanDerWaalsContact C-N 3.34Å; P375-I377 PolarHBondContact O-N 3.17Å
376	N	93.4	Very high	96	Very high	25 Å²	25	36.6 Å²	36.6	13%	0.134	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	13.4	-172.7	-62.6	102	0	0	0	114.7	S35 N236 Y400 L401 S420	S35-N376 PolarHBondContact OG-OD1 3.3Å; N236-N376 PolarHBondContact ND2-OD1 3.29Å; N236-N376 PolarHBondContact OD1-N 3.45Å; N236-N376 PolarHBondContact OD1-OD1 2.99Å; N376-Y400 HydrophobicContact CB-CE1 4.47Å; N376-L401 HydrophobicContact CB-CD2 3.95Å; N376-S420 VanDerWaalsContact C-OG 3.24Å; N376-S420 WeakPolarHBondContact CA-OG 3.37Å; N376-S420 PolarHBondContact O-N 3.07Å; N376-S420 PolarHBondContact O-OG 3.49Å
377	I	94.8	Very high	95.6	Very high	9 Å²	9	43.7 Å²	43.7	5%	0.046	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-123.5	153.6	-171.5	60.5	112.9	0	0	0	113.4	A71 I372 G374 P375 R379 L418	A71-I377 HydrophobicContact CB-CB 4.14Å; A71-I377 HydrophobicContact CB-CD1 4.05Å; I372-I377 HydrophobicContact CB-CG2 3.95Å; I372-I377 HydrophobicContact CG2-CG2 3.49Å; I372-I377 VanDerWaalsContact CG2-CG2 3.49Å; G374-I377 WeakPolarHBondContact O-CG1 3.4Å; P375-I377 VanDerWaalsContact C-N 3.34Å; P375-I377 PolarHBondContact O-N 3.17Å; I377-R379 HydrophobicContact CD1-CB 4.45Å; I377-R379 HydrophobicContact CD1-CG 3.8Å; I377-R379 PolarHBondContact O-N 2.97Å; I377-L418 CarbonylContact C-O 3.46Å; I377-L418 VanDerWaalsContact CA-O 3.23Å; I377-L418 WeakPolarHBondContact CA-O 3.36Å; I377-L418 WeakPolarHBondContact CB-O 3.49Å
378	N	94.7	Very high	95.3	Very high	49 Å²	49	49.8 Å²	49.8	26%	0.262	25%	0.253	S	S	.	.			trans	-81.9	102.2	169.4	-68.5	-29.8	0	0	0	109.4	V381 P417 L418 L419 S420	N378-V381 HydrophobicContact CB-CB 4.26Å; N378-V381 HydrophobicContact CB-CG2 3.48Å; N378-V381 VanDerWaalsContact CB-CG2 3.48Å; N378-V381 WeakPolarHBondContact O-CB 3.15Å; N378-V381 WeakPolarHBondContact O-CG2 3.43Å; N378-V381 PolarHBondContact O-N 3.13Å; N378-P417 PolarHBondContact ND2-O 2.86Å; N378-L418 PolarHBondContact N-O 3.14Å; N378-L419 VanDerWaalsContact CG-O 3.28Å; N378-L419 PolarHBondContact ND2-O 3.12Å; N378-L419 PolarHBondContact OD1-O 3.27Å; N378-S420 WeakPolarHBondContact OD1-CA 3.27Å
379	R	94.5	Very high	95.2	Very high	164 Å²	164	50 Å²	50	62%	0.619	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	138.2	-177.6	-58.1	-174.7	179.4	176.7	-2.6	111.7	N69 G70 I377 V381	N69-R379 WeakPolarHBondContact O-CB 3.42Å; N69-R379 WeakPolarHBondContact O-CD 3Å; N69-R379 VanDerWaalsContact O-CG 3.24Å; N69-R379 WeakPolarHBondContact O-CG 3.36Å; G70-R379 CarbonylContact O-C 3.47Å; I377-R379 HydrophobicContact CD1-CB 4.45Å; I377-R379 HydrophobicContact CD1-CG 3.8Å; I377-R379 PolarHBondContact O-N 2.97Å; R379-V381 PolarHBondContact O-N 3.25Å
380	G	93.9	Very high	95.2	Very high	41 Å²	41	51.2 Å²	51.2	42%	0.423	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.2	-1.3	-179.3	0	0	0	0	0	114.6	G70	G70-G380 PolarHBondContact O-N 3.17Å
381	V	96.3	Very high	95.1	Very high	42 Å²	42	51.2 Å²	51.2	26%	0.255	26%	0.259	S	S	.	.			trans	-74.8	131.7	176.8	176.9	0	0	0	0	110.1	A71 Y72 N378 R379 L418	A71-V381 WeakPolarHBondContact CA-O 3.48Å; Y72-V381 PolarHBondContact N-O 3.09Å; N378-V381 HydrophobicContact CB-CB 4.26Å; N378-V381 HydrophobicContact CB-CG2 3.48Å; N378-V381 VanDerWaalsContact CB-CG2 3.48Å; N378-V381 WeakPolarHBondContact O-CB 3.15Å; N378-V381 WeakPolarHBondContact O-CG2 3.43Å; N378-V381 PolarHBondContact O-N 3.13Å; R379-V381 PolarHBondContact O-N 3.25Å; V381-L418 HydrophobicContact CB-CD2 4.45Å; V381-L418 HydrophobicContact CG1-CD2 3.84Å
382	Q	95.6	Very high	95.1	Very high	99 Å²	99	51.6 Å²	51.6	46%	0.463	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	128.8	173.2	-60.6	-175.2	-5.9	0	0	109.6	Q67 Y72	Q67-Q382 VanDerWaalsContact NE2-NE2 3.19Å; Y72-Q382 HydrophobicContact CD1-CG 4.18Å; Y72-Q382 CarbonylContact O-C 3.38Å; Y72-Q382 VanDerWaalsContact O-CA 3.25Å; Y72-Q382 WeakPolarHBondContact O-CA 3.45Å
383	L	96.2	Very high	95	Very high	40 Å²	40	53.6 Å²	53.6	21%	0.209	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	132	170.2	-69.6	-178.1	0	0	0	109.8	Y72 L73 Q74 P417 L418	Y72-L383 PolarHBondContact O-N 3.32Å; L73-L383 WeakPolarHBondContact CA-O 3.45Å; L73-L383 HydrophobicContact CD1-CB 3.8Å; Q74-L383 PolarHBondContact N-O 2.71Å; L383-P417 HydrophobicContact CD1-CB 4.2Å; L383-P417 HydrophobicContact CD1-CG 4.3Å; L383-P417 HydrophobicContact CD2-CB 3.91Å; L383-P417 HydrophobicContact CD2-CG 4.19Å; L383-P417 HydrophobicContact CG-CB 4.41Å; L383-L418 HydrophobicContact CB-CD2 4.29Å; L383-L418 HydrophobicContact CD1-CD1 4.11Å; L383-L418 HydrophobicContact CD1-CD2 3.57Å; L383-L418 HydrophobicContact CD1-CG 3.6Å; L383-L418 HydrophobicContact CG-CD2 3.55Å; L383-L418 HydrophobicContact CG-CG 4.17Å
384	N	95.6	Very high	95	Very high	120 Å²	120	52.9 Å²	52.9	64%	0.642	27%	0.268	S	S	*	.			trans	-75.8	162.5	172.3	-68.2	-35	0	0	0	110.4	T386	N384-T386 PolarHBondContact O-N 2.73Å
385	F	94.4	Very high	95.1	Very high	47 Å²	47	53.6 Å²	53.6	21%	0.206	27%	0.27	C	S	.	.			trans	-52.8	133.2	174.5	176.8	-120.1	0	0	0	112.6	R75 H367 K387	R75-F385 HydrophobicContact CG-CB 3.77Å; R75-F385 HydrophobicContact CG-CD2 3.39Å; R75-F385 HydrophobicContact CG-CE2 4.23Å; R75-F385 HydrophobicContact CG-CG 3.77Å; R75-F385 VanDerWaalsContact NE-CG 3.28Å; H367-F385 AromaticContact CE1-CE2 3.61Å; H367-F385 AromaticContact CE1-CZ 3.45Å; H367-F385 VanDerWaalsContact CE1-CZ 3.45Å; H367-F385 WeakPolarHBondContact CE1-CZ 3.47Å; H367-F385 AromaticContact ND1-CE2 3.64Å; H367-F385 AromaticContact ND1-CZ 3.91Å; F385-K387 HydrophobicContact CE1-CG 3.99Å; F385-K387 HydrophobicContact CZ-CG 4.01Å
386	T	90.7	Very high	95.3	Very high	54 Å²	54	51.2 Å²	51.2	33%	0.331	25%	0.254	S	S	.	.			trans	-125.6	149	162.9	79.1	0	0	0	0	108.6	N384 E388	N384-T386 PolarHBondContact O-N 2.73Å; T386-E388 PolarHBondContact O-N 3.33Å; T386-E388 PolarHBondContact OG1-N 2.83Å
387	K	91.2	Very high	95.4	Very high	149 Å²	149	50 Å²	50	65%	0.648	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-8.1	175.9	-67	-168.9	175	-164.8	0	113.4	F385	F385-K387 HydrophobicContact CE1-CG 3.99Å; F385-K387 HydrophobicContact CZ-CG 4.01Å
388	E	92.4	Very high	95.6	Very high	131 Å²	131	49.6 Å²	49.6	61%	0.612	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-31.5	-174.8	-62.2	178.7	173.5	0	0	112.1	T386 H393 L414	T386-E388 PolarHBondContact O-N 3.33Å; T386-E388 PolarHBondContact OG1-N 2.83Å; E388-H393 PolarHBondContact O-CE1 3.09Å; E388-H393 PolarHBondContact O-ND1 3.15Å; E388-L414 HydrophobicContact CB-CD2 4.45Å
389	I	96.6	Very high	95.7	Very high	5 Å²	5	47.3 Å²	47.3	3%	0.026	23%	0.234	C	C	.	.			trans	-86	121.4	-174.4	-55.5	175	0	0	0	110.1	L73 F76 T77 H393 I394 L414 F415	L73-I389 HydrophobicContact CD1-CD1 4.2Å; L73-I389 HydrophobicContact CD2-CD1 3.77Å; L73-I389 HydrophobicContact CD2-CG2 4.03Å; F76-I389 HydrophobicContact CB-CB 4.1Å; F76-I389 HydrophobicContact CB-CG2 3.67Å; F76-I389 WeakPolarHBondContact CB-O 3.24Å; F76-I389 HydrophobicContact CG-CG2 4.41Å; T77-I389 PolarHBondContact N-O 3.35Å; T77-I389 VanDerWaalsContact N-O 3.13Å; I389-H393 HydrophobicContact CG2-CB 4.48Å; I389-I394 HydrophobicContact CG2-CD1 4.47Å; I389-L414 HydrophobicContact CD1-CB 4.49Å; I389-L414 HydrophobicContact CG1-CB 4.27Å; I389-L414 HydrophobicContact CG1-CD1 4.38Å; I389-F415 HydrophobicContact CD1-CE1 4.04Å; I389-F415 HydrophobicContact CG2-CE1 3.77Å; I389-F415 HydrophobicContact CG2-CZ 3.65Å
390	R	97	Very high	95.7	Very high	25 Å²	25	40.8 Å²	40.8	9%	0.094	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-126.3	169.8	174.9	-63.2	-174.8	-178.4	-82.6	-5.1	111.5	T77 E362 V392 H393	T77-R390 VanDerWaalsContact CG2-NH1 3.27Å; T77-R390 CarbonylContact O-C 3.52Å; T77-R390 WeakPolarHBondContact O-CA 3.47Å; T77-R390 WeakPolarHBondContact O-CB 3.46Å; E362-R390 IonicContact OE1-CZ 3.21Å; E362-R390 IonicContact OE1-NH1 2.7Å; E362-R390 PolarHBondContact OE1-NH1 2.98Å; E362-R390 VanDerWaalsContact OE1-NH1 3.09Å; E362-R390 IonicContact OE1-NH2 3.79Å; E362-R390 PolarHBondContact OE1-NH2 3.47Å; R390-V392 HydrophobicContact CB-CG2 4.28Å; R390-V392 PolarHBondContact O-N 3.31Å; R390-V392 VanDerWaalsContact O-N 3.11Å; R390-H393 PolarHBondContact N-ND1 2.7Å; R390-H393 WeakPolarHBondContact O-CB 3.4Å; R390-H393 PolarHBondContact O-N 3.3Å
391	S	97.4	Very high	95.9	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-49.3	-38.5	177.7	-59.1	0	0	0	0	113.6	T77 P78 N87 H393 I394	T77-S391 PolarHBondContact O-N 3.35Å; P78-S391 WeakPolarHBondContact CA-OG 3.38Å; N87-S391 PolarHBondContact OD1-OG 3.32Å; N87-S391 VanDerWaalsContact OD1-OG 3.07Å; S391-H393 PolarHBondContact O-N 3.04Å; S391-I394 WeakPolarHBondContact O-CB 3.36Å; S391-I394 PolarHBondContact O-N 3.5Å; S391-I394 VanDerWaalsContact O-N 3.13Å
392	V	96.9	Very high	95.9	Very high	8 Å²	8	36.8 Å²	36.8	5%	0.048	18%	0.177	C	C	.	.	H	α-helix	trans	-59.5	-28.8	178.4	-56.7	0	0	0	0	113.5	V79 G94 R95 R390 H395	V79-V392 HydrophobicContact CG1-CG1 3.71Å; G94-V392 VanDerWaalsContact CA-O 3.31Å; G94-V392 WeakPolarHBondContact CA-O 3.5Å; R95-V392 WeakPolarHBondContact O-CG1 3.32Å; R390-V392 HydrophobicContact CB-CG2 4.28Å; R390-V392 PolarHBondContact O-N 3.31Å; R390-V392 VanDerWaalsContact O-N 3.11Å; V392-H395 WeakPolarHBondContact O-CB 3.43Å
393	H	97.3	Very high	95.9	Very high	42 Å²	42	33.3 Å²	33.3	19%	0.194	16%	0.164	C	C	.	.	H	α-helix	trans	-78.8	-24.4	-179.1	-60.9	145.1	0	0	0	112.7	E388 I389 R390 S391 H395 S396 S411 L414 F415	E388-H393 PolarHBondContact O-CE1 3.09Å; E388-H393 PolarHBondContact O-ND1 3.15Å; I389-H393 HydrophobicContact CG2-CB 4.48Å; R390-H393 PolarHBondContact N-ND1 2.7Å; R390-H393 WeakPolarHBondContact O-CB 3.4Å; R390-H393 PolarHBondContact O-N 3.3Å; S391-H393 PolarHBondContact O-N 3.04Å; H393-H395 PolarHBondContact O-N 2.81Å; H393-S396 PolarHBondContact O-N 3.41Å; H393-S411 PolarHBondContact CD2-OG 2.66Å; H393-S411 VanDerWaalsContact CD2-OG 3.32Å; H393-L414 HydrophobicContact CB-CD1 3.95Å; H393-L414 WeakPolarHBondContact ND1-CD1 3.26Å; H393-F415 HydrophobicContact CB-CE2 4Å; H393-F415 HydrophobicContact CB-CZ 4.02Å; H393-F415 WeakPolarHBondContact O-CE2 3.41Å
394	I	97.8	Very high	95.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-63.8	-25.9	178.2	-51.8	-61.2	0	0	0	111.1	F76 L91 M238 L370 I389 S391 S396 L397 M398 F415	F76-I394 HydrophobicContact CD1-CD1 4.15Å; F76-I394 HydrophobicContact CD2-CD1 4.48Å; F76-I394 HydrophobicContact CD2-CG1 4.4Å; F76-I394 HydrophobicContact CE1-CD1 4.08Å; F76-I394 HydrophobicContact CE1-CG1 4.39Å; F76-I394 HydrophobicContact CE2-CD1 4.42Å; F76-I394 HydrophobicContact CE2-CG1 4.03Å; F76-I394 HydrophobicContact CG-CD1 4.35Å; F76-I394 HydrophobicContact CZ-CD1 4.22Å; F76-I394 HydrophobicContact CZ-CG1 4.02Å; L91-I394 HydrophobicContact CD2-CB 3.63Å; L91-I394 HydrophobicContact CD2-CG1 3.77Å; L91-I394 HydrophobicContact CD2-CG2 3.87Å; M238-I394 HydrophobicContact CE-CG2 4.38Å; M238-I394 HydrophobicContact SD-CG2 3.93Å; L370-I394 HydrophobicContact CD2-CD1 4Å; I389-I394 HydrophobicContact CG2-CD1 4.47Å; S391-I394 WeakPolarHBondContact O-CB 3.36Å; S391-I394 PolarHBondContact O-N 3.5Å; S391-I394 VanDerWaalsContact O-N 3.13Å; I394-S396 PolarHBondContact O-N 3.43Å; I394-L397 WeakPolarHBondContact O-CB 3.43Å; I394-L397 PolarHBondContact O-N 3.42Å; I394-M398 HydrophobicContact CG2-CE 4.2Å; I394-M398 HydrophobicContact CG2-CG 4.11Å; I394-M398 HydrophobicContact CG2-SD 4.45Å; I394-M398 PolarHBondContact O-N 3.12Å; I394-F415 HydrophobicContact CD1-CE1 4.07Å; I394-F415 HydrophobicContact CD1-CZ 3.84Å
395	H	97.7	Very high	95.8	Very high	18 Å²	18	30.6 Å²	30.6	8%	0.083	15%	0.149	C	C	.	.	H	α-helix	trans	-52.6	-53.6	177.2	179.7	68	0	0	0	113.5	L91 F92 G94 L126 V392 H393 L397 M398 A399 L406	L91-H395 WeakPolarHBondContact O-CA 3.5Å; L91-H395 VanDerWaalsContact O-CB 3.24Å; L91-H395 WeakPolarHBondContact O-CB 3.22Å; L91-H395 PolarHBondContact O-N 3.43Å; F92-H395 VanDerWaalsContact C-ND1 3.25Å; F92-H395 PolarHBondContact O-CE1 3.46Å; F92-H395 PolarHBondContact O-ND1 2.81Å; G94-H395 VanDerWaalsContact CA-CG 3.5Å; G94-H395 VanDerWaalsContact N-CG 3.3Å; L126-H395 WeakPolarHBondContact CD2-CE1 3.23Å; L126-H395 VanDerWaalsContact CG-CE1 3.49Å; L126-H395 WeakPolarHBondContact CG-CE1 3.39Å; V392-H395 WeakPolarHBondContact O-CB 3.43Å; H393-H395 PolarHBondContact O-N 2.81Å; H395-L397 VanDerWaalsContact C-N 3.26Å; H395-L397 PolarHBondContact O-N 2.83Å; H395-M398 PolarHBondContact O-N 2.78Å; H395-A399 WeakPolarHBondContact O-CB 3.18Å; H395-A399 PolarHBondContact O-N 3.45Å; H395-L406 VanDerWaalsContact CD2-CD1 3.46Å; H395-L406 WeakPolarHBondContact CD2-CD1 3.49Å; H395-L406 WeakPolarHBondContact NE2-CD1 3.44Å; H395-L406 WeakPolarHBondContact NE2-CD2 3.36Å
396	S	96.8	Very high	95.8	Very high	7 Å²	7	29.4 Å²	29.4	5%	0.049	15%	0.145	C	C	.	.	H	α-helix	trans	-63.9	-34.5	-179.8	-60	0	0	0	0	112.1	H393 I394 Y400 F409	H393-S396 PolarHBondContact O-N 3.41Å; I394-S396 PolarHBondContact O-N 3.43Å; S396-Y400 WeakPolarHBondContact O-CB 3.48Å; S396-Y400 PolarHBondContact O-N 2.61Å; S396-F409 WeakPolarHBondContact O-CE1 3.43Å
397	L	97	Very high	95.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-67.3	-46	176.2	178.4	63.7	0	0	0	111.8	M238 L370 I372 I394 H395 Y400 L401 L412 F415 L419	M238-L397 HydrophobicContact CE-CD2 3.79Å; M238-L397 HydrophobicContact CE-CG 3.76Å; L370-L397 HydrophobicContact CD2-CD2 3.78Å; I372-L397 HydrophobicContact CD1-CD1 4.17Å; I372-L397 HydrophobicContact CD1-CD2 3.71Å; I372-L397 HydrophobicContact CD1-CG 4.35Å; I394-L397 WeakPolarHBondContact O-CB 3.43Å; I394-L397 PolarHBondContact O-N 3.42Å; H395-L397 VanDerWaalsContact C-N 3.26Å; H395-L397 PolarHBondContact O-N 2.83Å; L397-Y400 PolarHBondContact O-N 2.66Å; L397-L401 HydrophobicContact CD1-CD1 3.99Å; L397-L401 HydrophobicContact CD1-CG 4.31Å; L397-L401 HydrophobicContact CG-CD1 4.06Å; L397-L401 VanDerWaalsContact O-CG 3.31Å; L397-L401 WeakPolarHBondContact O-CG 3.26Å; L397-L401 PolarHBondContact O-N 3.42Å; L397-L412 HydrophobicContact CB-CD1 4.33Å; L397-L412 HydrophobicContact CD1-CD1 4.11Å; L397-F415 HydrophobicContact CB-CD2 4.05Å; L397-F415 HydrophobicContact CB-CE2 4.23Å; L397-F415 HydrophobicContact CB-CG 4.46Å; L397-F415 HydrophobicContact CD1-CB 4.13Å; L397-F415 HydrophobicContact CD1-CG 4.36Å; L397-F415 HydrophobicContact CD2-CB 4.49Å; L397-F415 HydrophobicContact CD2-CD1 3.91Å; L397-F415 HydrophobicContact CD2-CD2 4.32Å; L397-F415 HydrophobicContact CD2-CE1 4.16Å; L397-F415 HydrophobicContact CD2-CG 3.98Å; L397-F415 HydrophobicContact CD2-CZ 4.48Å; L397-L419 HydrophobicContact CD1-CD1 4.41Å; L397-L419 HydrophobicContact CD1-CD2 3.8Å; L397-L419 HydrophobicContact CD1-CG 4.49Å
398	M	97.6	Very high	95.6	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-60.8	-45.3	175.2	-75.7	-168.1	-68.5	0	0	111.7	L37 V39 L91 F92 L126 M238 I394 H395 Y400 L401 A402	L37-M398 HydrophobicContact CD2-CB 4.06Å; L37-M398 HydrophobicContact CD2-CG 4.11Å; V39-M398 HydrophobicContact CG2-SD 4.04Å; L91-M398 VanDerWaalsContact C-CE 3.47Å; L91-M398 HydrophobicContact CB-CE 3.95Å; L91-M398 WeakPolarHBondContact O-CE 3.43Å; F92-M398 HydrophobicContact CD1-CE 3.84Å; F92-M398 HydrophobicContact CD1-SD 4.26Å; F92-M398 HydrophobicContact CE1-CE 3.86Å; F92-M398 HydrophobicContact CE1-SD 3.69Å; F92-M398 HydrophobicContact CG-CE 4.25Å; F92-M398 HydrophobicContact CZ-CE 4.28Å; F92-M398 HydrophobicContact CZ-SD 4.04Å; L126-M398 HydrophobicContact CD1-CB 3.58Å; L126-M398 HydrophobicContact CD1-CE 4.13Å; M238-M398 HydrophobicContact CE-CG 3.61Å; M238-M398 HydrophobicContact SD-CG 3.54Å; M238-M398 VanDerWaalsContact SD-CG 3.54Å; M238-M398 HydrophobicContact SD-SD 4.15Å; I394-M398 HydrophobicContact CG2-CE 4.2Å; I394-M398 HydrophobicContact CG2-CG 4.11Å; I394-M398 HydrophobicContact CG2-SD 4.45Å; I394-M398 PolarHBondContact O-N 3.12Å; H395-M398 PolarHBondContact O-N 2.78Å; M398-Y400 PolarHBondContact O-N 2.89Å; M398-L401 PolarHBondContact O-N 3.46Å; M398-A402 VanDerWaalsContact O-CB 3.29Å; M398-A402 WeakPolarHBondContact O-CB 3.5Å; M398-A402 PolarHBondContact O-N 2.88Å
399	A	97	Very high	95.5	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-59.8	-45.2	178.5	0	0	0	0	0	112.2	L126 H395 A402 S403 I404 L406 F409	L126-A399 HydrophobicContact CD2-CB 3.67Å; H395-A399 WeakPolarHBondContact O-CB 3.18Å; H395-A399 PolarHBondContact O-N 3.45Å; A399-A402 PolarHBondContact O-N 3.44Å; A399-S403 PolarHBondContact O-N 2.76Å; A399-I404 CarbonylContact C-O 3.07Å; A399-I404 WeakPolarHBondContact CB-O 3.38Å; A399-I404 PolarHBondContact O-N 2.93Å; A399-L406 HydrophobicContact CB-CD1 3.49Å; A399-L406 VanDerWaalsContact CB-CD1 3.49Å; A399-L406 HydrophobicContact CB-CD2 4.06Å; A399-L406 HydrophobicContact CB-CG 3.56Å; A399-F409 HydrophobicContact CB-CE1 3.85Å; A399-F409 HydrophobicContact CB-CZ 4.16Å
400	Y	95.7	Very high	95.1	Very high	27 Å²	27	33.9 Å²	33.9	11%	0.106	17%	0.17	C	C	.	.	H	α-helix	trans	-59.2	-50.3	176.5	172.7	-100.1	0	0	0	111.6	N376 S396 L397 M398 A402 S403 L412 L419	N376-Y400 HydrophobicContact CB-CE1 4.47Å; S396-Y400 WeakPolarHBondContact O-CB 3.48Å; S396-Y400 PolarHBondContact O-N 2.61Å; L397-Y400 PolarHBondContact O-N 2.66Å; M398-Y400 PolarHBondContact O-N 2.89Å; Y400-A402 VanDerWaalsContact C-N 3.28Å; Y400-A402 PolarHBondContact O-N 2.99Å; Y400-S403 PolarHBondContact O-N 2.88Å; Y400-S403 VanDerWaalsContact O-N 3.16Å; Y400-L412 HydrophobicContact CD1-CD1 4.43Å; Y400-L412 HydrophobicContact CD2-CD2 3.79Å; Y400-L412 HydrophobicContact CE2-CD2 4.49Å; Y400-L412 HydrophobicContact CG-CD1 4.14Å; Y400-L412 HydrophobicContact CG-CD2 3.87Å; Y400-L419 HydrophobicContact CD1-CD1 4.05Å; Y400-L419 HydrophobicContact CD1-CD2 4.12Å; Y400-L419 HydrophobicContact CE1-CD1 3.96Å; Y400-L419 HydrophobicContact CE1-CD2 3.92Å; Y400-L419 HydrophobicContact CE1-CG 4.39Å
401	L	96.2	Very high	94.9	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-68.2	-26.7	-177.9	-66.5	169.9	0	0	0	113	S35 L37 N236 M238 I372 N376 L397 M398 L419	S35-L401 WeakPolarHBondContact CB-O 3.12Å; S35-L401 PolarHBondContact OG-O 3.5Å; L37-L401 HydrophobicContact CB-CB 4.44Å; L37-L401 HydrophobicContact CD1-CB 4.03Å; L37-L401 HydrophobicContact CD1-CD1 4.29Å; L37-L401 HydrophobicContact CD2-CB 4.05Å; L37-L401 HydrophobicContact CG-CB 4.4Å; N236-L401 HydrophobicContact CB-CD2 4.41Å; M238-L401 HydrophobicContact CE-CD1 3.74Å; I372-L401 HydrophobicContact CG2-CD1 3.65Å; I372-L401 HydrophobicContact CG2-CD2 4.45Å; N376-L401 HydrophobicContact CB-CD2 3.95Å; L397-L401 HydrophobicContact CD1-CD1 3.99Å; L397-L401 HydrophobicContact CD1-CG 4.31Å; L397-L401 HydrophobicContact CG-CD1 4.06Å; L397-L401 VanDerWaalsContact O-CG 3.31Å; L397-L401 WeakPolarHBondContact O-CG 3.26Å; L397-L401 PolarHBondContact O-N 3.42Å; M398-L401 PolarHBondContact O-N 3.46Å; L401-L419 HydrophobicContact CD2-CD2 4.34Å
402	A	96.5	Very high	94.8	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-0.4	175.6	0	0	0	0	0	114.2	S35 L37 L188 M398 A399 Y400 I404	S35-A402 CarbonylContact O-C 3.5Å; L37-A402 HydrophobicContact CB-CB 3.85Å; L37-A402 HydrophobicContact CD2-CB 4.46Å; L188-A402 HydrophobicContact CB-CB 4.16Å; L188-A402 HydrophobicContact CD1-CB 4.41Å; M398-A402 VanDerWaalsContact O-CB 3.29Å; M398-A402 WeakPolarHBondContact O-CB 3.5Å; M398-A402 PolarHBondContact O-N 2.88Å; A399-A402 PolarHBondContact O-N 3.44Å; Y400-A402 VanDerWaalsContact C-N 3.28Å; Y400-A402 PolarHBondContact O-N 2.99Å; A402-I404 HydrophobicContact CB-CD1 4.02Å; A402-I404 HydrophobicContact CB-CG1 4.06Å; A402-I404 PolarHBondContact O-N 3.09Å
403	S	95.2	Very high	94.6	Very high	26 Å²	26	37.7 Å²	37.7	18%	0.182	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	41.1	-171.2	-63.7	0	0	0	0	113.6	S34 S35 K135 A399 Y400	S34-S403 VanDerWaalsContact OG-CB 3.25Å; S34-S403 WeakPolarHBondContact OG-CB 3.17Å; S35-S403 WeakPolarHBondContact CB-OG 3.35Å; S35-S403 PolarHBondContact N-OG 3Å; S35-S403 VanDerWaalsContact N-OG 3.08Å; K135-S403 WeakPolarHBondContact CE-O 3.25Å; A399-S403 PolarHBondContact O-N 2.76Å; Y400-S403 PolarHBondContact O-N 2.88Å; Y400-S403 VanDerWaalsContact O-N 3.16Å
404	I	95.6	Very high	94.5	Very high	1 Å²	1	38 Å²	38	1%	0.005	20%	0.197	C	C	.	.			trans	-100.7	123.1	170.1	-62.7	173.5	0	0	0	107.1	L126 T129 K135 V137 L188 A399 A402 F409	L126-I404 HydrophobicContact CD2-CG2 4.31Å; T129-I404 HydrophobicContact CG2-CG2 3.66Å; K135-I404 HydrophobicContact CB-CG1 4.43Å; K135-I404 HydrophobicContact CG-CG1 4.46Å; V137-I404 HydrophobicContact CG2-CD1 4.49Å; L188-I404 HydrophobicContact CB-CD1 4.17Å; L188-I404 HydrophobicContact CD2-CD1 4.19Å; A399-I404 CarbonylContact C-O 3.07Å; A399-I404 WeakPolarHBondContact CB-O 3.38Å; A399-I404 PolarHBondContact O-N 2.93Å; A402-I404 HydrophobicContact CB-CD1 4.02Å; A402-I404 HydrophobicContact CB-CG1 4.06Å; A402-I404 PolarHBondContact O-N 3.09Å; I404-F409 WeakPolarHBondContact O-CZ 3.11Å
405	N	94.7	Very high	94.4	Very high	102 Å²	102	38 Å²	38	55%	0.545	20%	0.197	S	C	.	.			trans	-77.1	134.5	-178.8	-64	-50.9	0	0	0	110.7	Q133	Q133-N405 PolarHBondContact NE2-O 2.91Å
406	L	94.3	Very high	94.2	Very high	22 Å²	22	40.9 Å²	40.9	12%	0.115	21%	0.21	C	C	.	.			trans	-107.7	154	169.6	-61.4	179.5	0	0	0	110.1	L126 T129 H395 A399 D408 F409	L126-L406 HydrophobicContact CD2-CD2 3.84Å; T129-L406 HydrophobicContact CG2-CD2 4.41Å; H395-L406 VanDerWaalsContact CD2-CD1 3.46Å; H395-L406 WeakPolarHBondContact CD2-CD1 3.49Å; H395-L406 WeakPolarHBondContact NE2-CD1 3.44Å; H395-L406 WeakPolarHBondContact NE2-CD2 3.36Å; A399-L406 HydrophobicContact CB-CD1 3.49Å; A399-L406 VanDerWaalsContact CB-CD1 3.49Å; A399-L406 HydrophobicContact CB-CD2 4.06Å; A399-L406 HydrophobicContact CB-CG 3.56Å; L406-D408 WeakPolarHBondContact CB-O 3.46Å; L406-D408 PolarHBondContact O-N 3.09Å; L406-F409 HydrophobicContact CB-CD2 4.09Å; L406-F409 HydrophobicContact CB-CE1 4.37Å; L406-F409 HydrophobicContact CB-CE2 3.8Å; L406-F409 HydrophobicContact CB-CZ 3.94Å; L406-F409 HydrophobicContact CD1-CD1 4.35Å; L406-F409 HydrophobicContact CD1-CE1 4.08Å; L406-F409 HydrophobicContact CD1-CZ 4.38Å; L406-F409 HydrophobicContact CG-CE1 4.16Å; L406-F409 HydrophobicContact CG-CE2 4.33Å; L406-F409 HydrophobicContact CG-CZ 3.95Å
407	P	90.8	Very high	94	Very high	142 Å²	142	43.7 Å²	43.7	92%	0.922	23%	0.228	S	C	*	.	S	Bend	trans	-59	-27.6	170.1	-22.7	33.5	0	0	0	113
408	D	87.9	Confident	93.9	Very high	68 Å²	68	43.7 Å²	43.7	36%	0.364	23%	0.228	S	C	.	.			trans	-145.5	129.3	-177.4	-175.8	6.6	0	0	0	110.5	L406 R410	L406-D408 WeakPolarHBondContact CB-O 3.46Å; L406-D408 PolarHBondContact O-N 3.09Å; D408-R410 VanDerWaalsContact OD1-CB 3.3Å; D408-R410 WeakPolarHBondContact OD1-CB 3.45Å; D408-R410 WeakPolarHBondContact OD1-CG 3.44Å; D408-R410 PolarHBondContact OD1-N 3.2Å; D408-R410 IonicContact OD1-NE 3.84Å; D408-R410 PolarHBondContact OD1-NE 3.21Å; D408-R410 IonicContact OD2-CZ 2.89Å; D408-R410 IonicContact OD2-NE 2.61Å; D408-R410 PolarHBondContact OD2-NE 3.16Å; D408-R410 IonicContact OD2-NH2 2.78Å; D408-R410 PolarHBondContact OD2-NH2 3.23Å
409	F	89.9	Confident	93.7	Very high	32 Å²	32	43.8 Å²	43.8	14%	0.14	23%	0.228	C	C	.	.			trans	-114.6	14.7	176.7	-82.3	-83.4	0	0	0	112.7	S396 A399 I404 L406 S411 L412	S396-F409 WeakPolarHBondContact O-CE1 3.43Å; A399-F409 HydrophobicContact CB-CE1 3.85Å; A399-F409 HydrophobicContact CB-CZ 4.16Å; I404-F409 WeakPolarHBondContact O-CZ 3.11Å; L406-F409 HydrophobicContact CB-CD2 4.09Å; L406-F409 HydrophobicContact CB-CE1 4.37Å; L406-F409 HydrophobicContact CB-CE2 3.8Å; L406-F409 HydrophobicContact CB-CZ 3.94Å; L406-F409 HydrophobicContact CD1-CD1 4.35Å; L406-F409 HydrophobicContact CD1-CE1 4.08Å; L406-F409 HydrophobicContact CD1-CZ 4.38Å; L406-F409 HydrophobicContact CG-CE1 4.16Å; L406-F409 HydrophobicContact CG-CE2 4.33Å; L406-F409 HydrophobicContact CG-CZ 3.95Å; F409-S411 PolarHBondContact O-N 2.64Å; F409-S411 VanDerWaalsContact O-N 3.08Å; F409-L412 HydrophobicContact CB-CB 4.36Å; F409-L412 HydrophobicContact CD1-CB 4.5Å; F409-L412 HydrophobicContact CD1-CD2 4.12Å; F409-L412 WeakPolarHBondContact O-CB 3.43Å; F409-L412 PolarHBondContact O-N 2.99Å
410	R	88.7	Confident	93.3	Very high	191 Å²	191	44.6 Å²	44.6	72%	0.721	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-50.6	-38.5	-175.6	-83.2	-179.6	-61	162.7	4.3	113.7	D408 L412 D413	D408-R410 VanDerWaalsContact OD1-CB 3.3Å; D408-R410 WeakPolarHBondContact OD1-CB 3.45Å; D408-R410 WeakPolarHBondContact OD1-CG 3.44Å; D408-R410 PolarHBondContact OD1-N 3.2Å; D408-R410 IonicContact OD1-NE 3.84Å; D408-R410 PolarHBondContact OD1-NE 3.21Å; D408-R410 IonicContact OD2-CZ 2.89Å; D408-R410 IonicContact OD2-NE 2.61Å; D408-R410 PolarHBondContact OD2-NE 3.16Å; D408-R410 IonicContact OD2-NH2 2.78Å; D408-R410 PolarHBondContact OD2-NH2 3.23Å; R410-L412 PolarHBondContact O-N 3.43Å; R410-D413 WeakPolarHBondContact O-CB 3.46Å; R410-D413 PolarHBondContact O-N 2.75Å
411	S	92.7	Very high	91.8	Very high	33 Å²	33	50.4 Å²	50.4	23%	0.231	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-67.4	-16.5	178.3	-53.4	0	0	0	0	114	H393 F409 D413 L414 F415	H393-S411 PolarHBondContact CD2-OG 2.66Å; H393-S411 VanDerWaalsContact CD2-OG 3.32Å; F409-S411 PolarHBondContact O-N 2.64Å; F409-S411 VanDerWaalsContact O-N 3.08Å; S411-D413 PolarHBondContact O-N 2.84Å; S411-L414 WeakPolarHBondContact O-CB 3.45Å; S411-L414 PolarHBondContact O-N 3.14Å; S411-F415 WeakPolarHBondContact O-CD2 3.43Å
412	L	93.9	Very high	90.1	Very high	2 Å²	2	55.4 Å²	55.4	1%	0.01	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-63	-26.4	174.8	-166.7	65.5	0	0	0	112	L397 Y400 F409 R410 L414 F415 K416 L419 Y423	L397-L412 HydrophobicContact CB-CD1 4.33Å; L397-L412 HydrophobicContact CD1-CD1 4.11Å; Y400-L412 HydrophobicContact CD1-CD1 4.43Å; Y400-L412 HydrophobicContact CD2-CD2 3.79Å; Y400-L412 HydrophobicContact CE2-CD2 4.49Å; Y400-L412 HydrophobicContact CG-CD1 4.14Å; Y400-L412 HydrophobicContact CG-CD2 3.87Å; F409-L412 HydrophobicContact CB-CB 4.36Å; F409-L412 HydrophobicContact CD1-CB 4.5Å; F409-L412 HydrophobicContact CD1-CD2 4.12Å; F409-L412 WeakPolarHBondContact O-CB 3.43Å; F409-L412 PolarHBondContact O-N 2.99Å; R410-L412 PolarHBondContact O-N 3.43Å; L412-L414 PolarHBondContact O-N 2.9Å; L412-F415 PolarHBondContact O-N 3.1Å; L412-K416 PolarHBondContact O-N 3.32Å; L412-L419 HydrophobicContact CD1-CD1 3.72Å; L412-L419 HydrophobicContact CD2-CD1 4.4Å; L412-L419 HydrophobicContact CG-CD1 3.96Å; L412-Y423 HydrophobicContact CD2-CD2 4.39Å; L412-Y423 HydrophobicContact CD2-CE2 3.63Å; L412-Y423 HydrophobicContact CG-CE2 3.97Å
413	D	93.4	Very high	88.1	Confident	77 Å²	77	56 Å²	56	41%	0.412	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-57.5	-32.2	177.8	-80.2	11.8	0	0	0	112.7	R410 S411 F415 K416 Y423	R410-D413 WeakPolarHBondContact O-CB 3.46Å; R410-D413 PolarHBondContact O-N 2.75Å; S411-D413 PolarHBondContact O-N 2.84Å; D413-F415 PolarHBondContact O-N 3.41Å; D413-K416 HydrophobicContact CB-CD 4.39Å; D413-K416 VanDerWaalsContact CG-CE 3.47Å; D413-K416 PolarHBondContact O-N 2.86Å; D413-K416 WeakPolarHBondContact OD1-CE 3.39Å; D413-K416 IonicContact OD1-NZ 3.76Å; D413-K416 PolarHBondContact OD1-NZ 3.44Å; D413-K416 IonicContact OD2-NZ 3.69Å; D413-K416 PolarHBondContact OD2-NZ 2.93Å; D413-Y423 PolarHBondContact OD1-OH 3.16Å; D413-Y423 VanDerWaalsContact OD1-OH 3.05Å
414	L	95	Very high	85.9	Confident	49 Å²	49	62.1 Å²	62.1	26%	0.257	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-63.2	-21.9	176.8	-61.3	171.1	0	0	0	112.7	E388 I389 H393 S411 L412	E388-L414 HydrophobicContact CB-CD2 4.45Å; I389-L414 HydrophobicContact CD1-CB 4.49Å; I389-L414 HydrophobicContact CG1-CB 4.27Å; I389-L414 HydrophobicContact CG1-CD1 4.38Å; H393-L414 HydrophobicContact CB-CD1 3.95Å; H393-L414 WeakPolarHBondContact ND1-CD1 3.26Å; S411-L414 WeakPolarHBondContact O-CB 3.45Å; S411-L414 PolarHBondContact O-N 3.14Å; L412-L414 PolarHBondContact O-N 2.9Å
415	F	95.2	Very high	83.6	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-111.3	2.2	-175.7	-51.7	-78.7	0	0	0	113.4	L73 L370 I389 H393 I394 L397 S411 L412 D413 P417 L418 L419	L73-F415 HydrophobicContact CD2-CE1 4.19Å; L370-F415 HydrophobicContact CD2-CE1 4.22Å; I389-F415 HydrophobicContact CD1-CE1 4.04Å; I389-F415 HydrophobicContact CG2-CE1 3.77Å; I389-F415 HydrophobicContact CG2-CZ 3.65Å; H393-F415 HydrophobicContact CB-CE2 4Å; H393-F415 HydrophobicContact CB-CZ 4.02Å; H393-F415 WeakPolarHBondContact O-CE2 3.41Å; I394-F415 HydrophobicContact CD1-CE1 4.07Å; I394-F415 HydrophobicContact CD1-CZ 3.84Å; L397-F415 HydrophobicContact CB-CD2 4.05Å; L397-F415 HydrophobicContact CB-CE2 4.23Å; L397-F415 HydrophobicContact CB-CG 4.46Å; L397-F415 HydrophobicContact CD1-CB 4.13Å; L397-F415 HydrophobicContact CD1-CG 4.36Å; L397-F415 HydrophobicContact CD2-CB 4.49Å; L397-F415 HydrophobicContact CD2-CD1 3.91Å; L397-F415 HydrophobicContact CD2-CD2 4.32Å; L397-F415 HydrophobicContact CD2-CE1 4.16Å; L397-F415 HydrophobicContact CD2-CG 3.98Å; L397-F415 HydrophobicContact CD2-CZ 4.48Å; S411-F415 WeakPolarHBondContact O-CD2 3.43Å; L412-F415 PolarHBondContact O-N 3.1Å; D413-F415 PolarHBondContact O-N 3.41Å; F415-P417 VanDerWaalsContact C-N 3.27Å; F415-P417 VanDerWaalsContact O-N 3.11Å; F415-L418 HydrophobicContact CD1-CD1 4.18Å; F415-L418 WeakPolarHBondContact O-CA 3.19Å; F415-L418 WeakPolarHBondContact O-CB 3.37Å; F415-L418 PolarHBondContact O-N 3.39Å; F415-L419 PolarHBondContact O-N 3.21Å
416	K	93.1	Very high	81.5	Confident	79 Å²	79	71.5 Å²	71.5	34%	0.343	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-44.1	-44.3	178.1	-84.4	171.8	178.8	162.6	0	114.1	L412 D413 L418 L419 Y423	L412-K416 PolarHBondContact O-N 3.32Å; D413-K416 HydrophobicContact CB-CD 4.39Å; D413-K416 VanDerWaalsContact CG-CE 3.47Å; D413-K416 PolarHBondContact O-N 2.86Å; D413-K416 WeakPolarHBondContact OD1-CE 3.39Å; D413-K416 IonicContact OD1-NZ 3.76Å; D413-K416 PolarHBondContact OD1-NZ 3.44Å; D413-K416 IonicContact OD2-NZ 3.69Å; D413-K416 PolarHBondContact OD2-NZ 2.93Å; K416-L418 PolarHBondContact O-N 3.31Å; K416-L419 PolarHBondContact O-N 3.06Å; K416-L419 VanDerWaalsContact O-N 3.09Å; K416-Y423 HydrophobicContact CD-CE1 4.41Å; K416-Y423 VanDerWaalsContact CE-CE1 3.49Å; K416-Y423 WeakPolarHBondContact CE-OH 3.43Å; K416-Y423 HydrophobicContact CG-CE1 4.31Å; K416-Y423 HydrophobicContact CG-CE2 4.02Å
417	P	93.8	Very high	79.2	Confident	65 Å²	65	75.3 Å²	75.3	42%	0.422	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-60.7	-28.2	178.6	-24.1	35.1	0	0	0	113.9	N378 L383 F415	N378-P417 PolarHBondContact ND2-O 2.86Å; L383-P417 HydrophobicContact CD1-CB 4.2Å; L383-P417 HydrophobicContact CD1-CG 4.3Å; L383-P417 HydrophobicContact CD2-CB 3.91Å; L383-P417 HydrophobicContact CD2-CG 4.19Å; L383-P417 HydrophobicContact CG-CB 4.41Å; F415-P417 VanDerWaalsContact C-N 3.27Å; F415-P417 VanDerWaalsContact O-N 3.11Å
418	L	94.4	Very high	76.6	Confident	0 Å²	0	75.7 Å²	75.7	0%	0	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-80.4	-16	179.1	-54.7	-174.7	0	0	0	113	A71 L73 I372 I377 N378 V381 L383 F415 K416	A71-L418 HydrophobicContact CB-CB 4.08Å; A71-L418 HydrophobicContact CB-CD2 4.14Å; L73-L418 HydrophobicContact CB-CD1 4.41Å; I372-L418 HydrophobicContact CD1-CB 4.46Å; I372-L418 HydrophobicContact CD1-CD1 4.02Å; I377-L418 CarbonylContact C-O 3.46Å; I377-L418 VanDerWaalsContact CA-O 3.23Å; I377-L418 WeakPolarHBondContact CA-O 3.36Å; I377-L418 WeakPolarHBondContact CB-O 3.49Å; N378-L418 PolarHBondContact N-O 3.14Å; V381-L418 HydrophobicContact CB-CD2 4.45Å; V381-L418 HydrophobicContact CG1-CD2 3.84Å; L383-L418 HydrophobicContact CB-CD2 4.29Å; L383-L418 HydrophobicContact CD1-CD1 4.11Å; L383-L418 HydrophobicContact CD1-CD2 3.57Å; L383-L418 HydrophobicContact CD1-CG 3.6Å; L383-L418 HydrophobicContact CG-CD2 3.55Å; L383-L418 HydrophobicContact CG-CG 4.17Å; F415-L418 HydrophobicContact CD1-CD1 4.18Å; F415-L418 WeakPolarHBondContact O-CA 3.19Å; F415-L418 WeakPolarHBondContact O-CB 3.37Å; F415-L418 PolarHBondContact O-N 3.39Å; K416-L418 PolarHBondContact O-N 3.31Å
419	L	94	Very high	73.9	Confident	4 Å²	4	76.9 Å²	76.9	2%	0.021	38%	0.375	C	S	.	.	B	Isolated β-bridge	trans	-102.6	139.3	-169.7	-59.8	178.3	0	0	0	112.4	N378 L397 Y400 L401 L412 F415 K416 Y423	N378-L419 VanDerWaalsContact CG-O 3.28Å; N378-L419 PolarHBondContact ND2-O 3.12Å; N378-L419 PolarHBondContact OD1-O 3.27Å; L397-L419 HydrophobicContact CD1-CD1 4.41Å; L397-L419 HydrophobicContact CD1-CD2 3.8Å; L397-L419 HydrophobicContact CD1-CG 4.49Å; Y400-L419 HydrophobicContact CD1-CD1 4.05Å; Y400-L419 HydrophobicContact CD1-CD2 4.12Å; Y400-L419 HydrophobicContact CE1-CD1 3.96Å; Y400-L419 HydrophobicContact CE1-CD2 3.92Å; Y400-L419 HydrophobicContact CE1-CG 4.39Å; L401-L419 HydrophobicContact CD2-CD2 4.34Å; L412-L419 HydrophobicContact CD1-CD1 3.72Å; L412-L419 HydrophobicContact CD2-CD1 4.4Å; L412-L419 HydrophobicContact CG-CD1 3.96Å; F415-L419 PolarHBondContact O-N 3.21Å; K416-L419 PolarHBondContact O-N 3.06Å; K416-L419 VanDerWaalsContact O-N 3.09Å; L419-Y423 HydrophobicContact CD1-CD2 4.01Å; L419-Y423 HydrophobicContact CD1-CE2 4.26Å
420	S	88.5	Confident	71.2	Confident	17 Å²	17	80.3 Å²	80.3	12%	0.119	40%	0.401	C	S	.	.			trans	-63.8	152.8	175.4	69.8	0	0	0	0	112.6	N376 N378 N422 Y423	N376-S420 VanDerWaalsContact C-OG 3.24Å; N376-S420 WeakPolarHBondContact CA-OG 3.37Å; N376-S420 PolarHBondContact O-N 3.07Å; N376-S420 PolarHBondContact O-OG 3.49Å; N378-S420 WeakPolarHBondContact OD1-CA 3.27Å; S420-N422 PolarHBondContact O-N 3.15Å; S420-Y423 PolarHBondContact O-N 3.47Å
421	H	63.5	Low	68.6	Low	148 Å²	148	77.3 Å²	77.3	69%	0.685	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-7.1	-175.1	-80.9	-36.7	0	0	0	116.4	Y423	H421-Y423 PolarHBondContact O-N 2.9Å
422	N	60.9	Low	65.6	Low	106 Å²	106	83 Å²	83	57%	0.567	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-7.3	166.6	-74.1	-5.1	0	0	0	113.2	S420 Y424 H425	S420-N422 PolarHBondContact O-N 3.15Å; N422-Y424 PolarHBondContact O-N 3.26Å; N422-Y424 VanDerWaalsContact O-N 3.12Å; N422-H425 PolarHBondContact O-N 3.08Å
423	Y	54.8	Low	62.6	Low	13 Å²	13	88.8 Å²	88.8	5%	0.051	46%	0.461	C	S	.	.	H	α-helix	trans	-41.3	-40	168	-174.9	-94.3	0	0	0	114.3	L412 D413 K416 L419 S420 H421 H425 Q427	L412-Y423 HydrophobicContact CD2-CD2 4.39Å; L412-Y423 HydrophobicContact CD2-CE2 3.63Å; L412-Y423 HydrophobicContact CG-CE2 3.97Å; D413-Y423 PolarHBondContact OD1-OH 3.16Å; D413-Y423 VanDerWaalsContact OD1-OH 3.05Å; K416-Y423 HydrophobicContact CD-CE1 4.41Å; K416-Y423 VanDerWaalsContact CE-CE1 3.49Å; K416-Y423 WeakPolarHBondContact CE-OH 3.43Å; K416-Y423 HydrophobicContact CG-CE1 4.31Å; K416-Y423 HydrophobicContact CG-CE2 4.02Å; L419-Y423 HydrophobicContact CD1-CD2 4.01Å; L419-Y423 HydrophobicContact CD1-CE2 4.26Å; S420-Y423 PolarHBondContact O-N 3.47Å; H421-Y423 PolarHBondContact O-N 2.9Å; Y423-H425 PolarHBondContact O-N 2.8Å; Y423-Q427 PolarHBondContact OH-OE1 3.02Å
424	Y	49.7	Very low	59.5	Low	153 Å²	153	92 Å²	92	60%	0.6	48%	0.479	S	S	*	.	H	α-helix	trans	-79.5	-17	-169.6	-67.6	-76	0	0	0	115.4	N422	N422-Y424 PolarHBondContact O-N 3.26Å; N422-Y424 VanDerWaalsContact O-N 3.12Å
425	H	47.4	Very low	56.5	Low	160 Å²	160	98.4 Å²	98.4	74%	0.741	51%	0.505	S	S	*	.	H	α-helix	trans	-87.3	-22	-175	-88.4	-66.8	0	0	0	114.6	N422 Y423	N422-H425 PolarHBondContact O-N 3.08Å; Y423-H425 PolarHBondContact O-N 2.8Å
426	H	49.5	Very low	53.3	Low	140 Å²	140	108.5 Å²	108.5	65%	0.648	54%	0.544	S	S	*	.	H	α-helix	trans	-90.2	-18.6	-175.3	-91.5	-57.3	0	0	0	115.5
427	Q	46.9	Very low	50.4	Low	103 Å²	103	114.5 Å²	114.5	48%	0.481	57%	0.565	S	S	.	*	T	Hydrogen-bonded Turn	trans	-88.9	-1.4	-177.1	-92.8	-173.3	-17.8	0	0	115	Y423	Y423-Q427 PolarHBondContact OH-OE1 3.02Å
428	L	34.8	Very low	47.5	Very low	149 Å²	149	117.3 Å²	117.3	78%	0.78	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.5	15.5	-175.7	-78	166.6	0	0	0	115.1	P430	L428-P430 WeakPolarHBondContact O-CD 3.36Å
429	S	31.9	Very low	44.4	Very low	93 Å²	93	125.1 Å²	125.1	65%	0.65	62%	0.624	S	S	*	*			trans	-99.7	92.9	169.5	-49.1	0	0	0	0	110	V431	S429-V431 PolarHBondContact O-N 3.16Å; S429-V431 VanDerWaalsContact O-N 3.13Å
430	P	32.8	Very low	41.7	Very low	104 Å²	104	132.7 Å²	132.7	68%	0.675	66%	0.664	S	S	*	*			trans	-64.5	117.7	166.9	27	-29.9	0	0	0	107.3	L428 L432	L428-P430 WeakPolarHBondContact O-CD 3.36Å; P430-L432 PolarHBondContact O-N 3.3Å
431	V	35.3	Very low	39	Very low	129 Å²	129	138.9 Å²	138.9	78%	0.782	70%	0.696	S	S	*	*			trans	-67.1	82.6	166.3	-179.6	0	0	0	0	107.2	S429 N433	S429-V431 PolarHBondContact O-N 3.16Å; S429-V431 VanDerWaalsContact O-N 3.13Å; V431-N433 HydrophobicContact CG1-CB 4.04Å; V431-N433 PolarHBondContact O-N 2.57Å
432	L	28	Very low	37.6	Very low	153 Å²	153	141.2 Å²	141.2	80%	0.801	71%	0.705	S	S	*	*			trans	-75.7	81.4	156.2	-86.9	159.9	0	0	0	106.5	P430	P430-L432 PolarHBondContact O-N 3.3Å
433	N	31.5	Very low	36.4	Very low	122 Å²	122	141.3 Å²	141.3	65%	0.652	71%	0.713	S	S	*	*			trans	-143.2	94.5	166.2	-92.1	-28.2	0	0	0	110.3	V431 F435	V431-N433 HydrophobicContact CG1-CB 4.04Å; V431-N433 PolarHBondContact O-N 2.57Å; N433-F435 PolarHBondContact O-N 3Å
434	N	28.9	Very low	35.4	Very low	145 Å²	145	145.8 Å²	145.8	78%	0.775	75%	0.747	S	S	*	*			trans	27.6	86	142.2	-67.4	-23.7	0	0	0	117.5	Y436	N434-Y436 PolarHBondContact O-N 2.88Å
435	F	31.6	Very low	34.7	Very low	184 Å²	184	144.2 Å²	144.2	81%	0.807	76%	0.758	S	S	*	*			trans	-87.5	90.5	151.3	-91.7	-86	0	0	0	109.3	N433 W437	N433-F435 PolarHBondContact O-N 3Å; F435-W437 PolarHBondContact O-N 2.9Å
436	Y	28.8	Very low	34	Very low	212 Å²	212	141.4 Å²	141.4	83%	0.831	76%	0.757	S	S	*	*			trans	-74.2	107.3	158.2	-109.5	-93.3	0	0	0	107.7	N434	N434-Y436 PolarHBondContact O-N 2.88Å
437	W	31.6	Very low	33.2	Very low	205 Å²	205	142.8 Å²	142.8	78%	0.777	77%	0.768	S	S	*	*			trans	-82.5	126.3	162.6	-77.8	94.2	0	0	0	108.8	F435 L439	F435-W437 PolarHBondContact O-N 2.9Å; W437-L439 PolarHBondContact O-N 3.5Å
438	P	32.3	Very low	32.4	Very low	123 Å²	123	142.8 Å²	142.8	80%	0.799	78%	0.779	S	S	*	*			trans	-80.5	98.2	159.9	28.5	-20.5	0	0	0	107.7	N440	P438-N440 PolarHBondContact O-N 2.71Å
439	L	30.6	Very low	32.4	Very low	165 Å²	165	145.3 Å²	145.3	86%	0.864	78%	0.784	S	S	*	*			trans	-68	115.7	161.7	-85.2	158.3	0	0	0	107.9	W437	W437-L439 PolarHBondContact O-N 3.5Å
440	N	36	Very low	32.4	Very low	162 Å²	162	145.3 Å²	145.3	87%	0.866	78%	0.784	S	S	*	*			trans	-88.3	130.2	165.1	-122.9	-5.5	0	0	0	108.9	P438	P438-N440 PolarHBondContact O-N 2.71Å
441	D	31.4	Very low	32.7	Very low	148 Å²	148	145.5 Å²	145.5	79%	0.791	79%	0.788	S	S	*	*			trans	-50.1	138.9	-175.5	-76.9	-51	0	0	0	115.7
442	K	35.2	Very low	32.7	Very low	197 Å²	197	144.8 Å²	144.8	86%	0.857	78%	0.784	S	S	*	*				-177.3	140.5	107.8	-96	169.9	-173.9	179.5	0	113.3
443	S	36.1	Very low	32.9	Very low	107 Å²	107	144.9 Å²	144.9	75%	0.748	79%	0.785	S	S	*	*			trans	74.3	96	158.5	64.3	0	0	0	0	121
444	S	32.6	Very low	33.4	Very low	108 Å²	108	149.9 Å²	149.9	76%	0.755	80%	0.796	S	S	*	*				47.9	111.6	122.2	63.7	0	0	0	0	120
445	S	35.4	Very low	34.2	Very low	120 Å²	120	145.3 Å²	145.3	84%	0.839	78%	0.783	S	S	*	*				169.7	147.5	92.7	48.5	0	0	0	0	111
446	S	31.9	Very low	35.3	Very low	101 Å²	101	142.6 Å²	142.6	71%	0.706	78%	0.777	S	S	*	*			trans	-55.6	146.7	-173.7	50.3	0	0	0	0	116.5
447	L	34.6	Very low	36.1	Very low	169 Å²	169	143 Å²	143	89%	0.885	78%	0.777	S	S	*	*				-175.8	129.8	113.5	-95.6	150.9	0	0	0	112.1
448	S	29.6	Very low	37.3	Very low	102 Å²	102	141.1 Å²	141.1	71%	0.713	78%	0.775	S	S	*	*			trans	-75.7	146.3	178.3	51.6	0	0	0	0	113.3
449	F	35.1	Very low	38.6	Very low	202 Å²	202	140.8 Å²	140.8	89%	0.886	76%	0.764	S	S	*	*			trans	-156.9	132.2	133.6	-137	-97.1	0	0	0	112.3
450	S	30.5	Very low	40.3	Very low	94 Å²	94	136.8 Å²	136.8	66%	0.657	75%	0.746	S	S	*	*			trans	-96	136.8	179.6	51.9	0	0	0	0	111.6
451	S	39.3	Very low	42	Very low	107 Å²	107	134.1 Å²	134.1	75%	0.748	73%	0.732	S	S	*	*			trans	-166.5	91.2	146.2	47.7	0	0	0	0	109.4
452	T	35	Very low	44.2	Very low	115 Å²	115	133.5 Å²	133.5	71%	0.706	72%	0.722	S	S	*	*				60.8	97.3	92.8	55.8	0	0	0	0	116.3
453	L	33.9	Very low	46.1	Very low	155 Å²	155	129.3 Å²	129.3	81%	0.812	71%	0.708	S	S	*	*				40.9	80.3	122	-76.6	104.9	0	0	0	116.9
454	Y	41.7	Very low	48.2	Very low	226 Å²	226	129.1 Å²	129.1	89%	0.886	70%	0.698	S	S	*	*			trans	-146.7	0.7	155.7	-117.4	-87.9	0	0	0	114.2
455	G	44.7	Very low	50.5	Low	49 Å²	49	128.1 Å²	128.1	51%	0.505	69%	0.687	S	S	.	*	S	Bend	trans	-85.5	-26	-174.8	0	0	0	0	0	116.1	R457 M459	G455-R457 PolarHBondContact O-N 3.27Å; G455-M459 PolarHBondContact O-N 2.87Å
456	D	54.1	Low	52.7	Low	128 Å²	128	124.3 Å²	124.3	68%	0.684	66%	0.663	S	S	*	*	H	α-helix	trans	-75.6	-30.7	-166.2	-71.8	-25.7	0	0	0	114.3	V460	D456-V460 VanDerWaalsContact O-CG2 3.29Å; D456-V460 WeakPolarHBondContact O-CG2 3.49Å; D456-V460 PolarHBondContact O-N 3.38Å
457	R	47.4	Very low	55	Low	221 Å²	221	122 Å²	122	83%	0.834	65%	0.65	S	S	*	*	H	α-helix	trans	-75.4	-27.8	178.9	-77.1	-171.7	174.5	-167.8	-1.1	113.4	G455 N461	G455-R457 PolarHBondContact O-N 3.27Å; R457-N461 PolarHBondContact O-N 3.4Å
458	F	56.2	Low	57.3	Low	165 Å²	165	116.8 Å²	116.8	72%	0.724	63%	0.631	S	S	*	*	H	α-helix	trans	-76.9	-40.1	-179.6	-154.6	-90.9	0	0	0	111.3	N461 F462	F458-N461 PolarHBondContact O-N 2.84Å; F458-F462 WeakPolarHBondContact O-CB 3.34Å; F458-F462 PolarHBondContact O-N 3.37Å
459	M	59.4	Low	59.9	Low	115 Å²	115	117.3 Å²	117.3	57%	0.567	63%	0.625	S	S	*	*	H	α-helix	trans	-63.6	-42	174.7	-82.9	-122.7	78.9	0	0	112.6	G455 F462 L463	G455-M459 PolarHBondContact O-N 2.87Å; M459-F462 PolarHBondContact O-N 3.29Å; M459-L463 WeakPolarHBondContact O-CG 3.41Å; M459-L463 PolarHBondContact O-N 2.92Å
460	V	67.3	Low	62.2	Low	82 Å²	82	111.7 Å²	111.7	50%	0.497	61%	0.608	S	S	.	*	H	α-helix	trans	-64.9	-43.2	179.2	174.1	0	0	0	0	111.5	D456 F462 L463 I464	D456-V460 VanDerWaalsContact O-CG2 3.29Å; D456-V460 WeakPolarHBondContact O-CG2 3.49Å; D456-V460 PolarHBondContact O-N 3.38Å; V460-F462 VanDerWaalsContact C-N 3.34Å; V460-F462 PolarHBondContact O-N 2.87Å; V460-L463 PolarHBondContact O-N 2.92Å; V460-I464 HydrophobicContact CG1-CD1 3.95Å; V460-I464 VanDerWaalsContact O-CG1 3.32Å; V460-I464 WeakPolarHBondContact O-CG1 3.2Å; V460-I464 PolarHBondContact O-N 2.87Å
461	N	70.1	Confident	64.7	Low	106 Å²	106	111 Å²	111	57%	0.567	60%	0.602	S	S	*	*	H	α-helix	trans	-64.4	-38.5	175.6	-81.3	-14.6	0	0	0	112.3	R457 F458 I464 V465	R457-N461 PolarHBondContact O-N 3.4Å; F458-N461 PolarHBondContact O-N 2.84Å; N461-I464 PolarHBondContact O-N 3.44Å; N461-V465 WeakPolarHBondContact O-CG2 3.28Å; N461-V465 PolarHBondContact O-N 2.94Å
462	F	77.9	Confident	66.9	Low	135 Å²	135	112.2 Å²	112.2	59%	0.592	59%	0.594	S	S	*	*	H	α-helix	trans	-64.1	-42.3	176.8	-168.2	-92.6	0	0	0	112	F458 M459 V460 V465 A466	F458-F462 WeakPolarHBondContact O-CB 3.34Å; F458-F462 PolarHBondContact O-N 3.37Å; M459-F462 PolarHBondContact O-N 3.29Å; V460-F462 VanDerWaalsContact C-N 3.34Å; V460-F462 PolarHBondContact O-N 2.87Å; F462-V465 PolarHBondContact O-N 2.98Å; F462-A466 WeakPolarHBondContact O-CB 3.49Å; F462-A466 PolarHBondContact O-N 2.8Å
463	L	76.5	Confident	69.2	Low	108 Å²	108	113.7 Å²	113.7	57%	0.565	59%	0.591	S	S	*	*	H	α-helix	trans	-64.4	-40.1	176.8	-72.8	167.5	0	0	0	112.4	M459 V460 A466 A467	M459-L463 WeakPolarHBondContact O-CG 3.41Å; M459-L463 PolarHBondContact O-N 2.92Å; V460-L463 PolarHBondContact O-N 2.92Å; L463-A466 PolarHBondContact O-N 3.22Å; L463-A467 WeakPolarHBondContact O-CB 3.32Å; L463-A467 PolarHBondContact O-N 3Å
464	I	80	Confident	71.7	Confident	104 Å²	104	111.2 Å²	111.2	53%	0.533	58%	0.582	S	S	.	*	H	α-helix	trans	-64.3	-43.1	176.3	-67.5	166.9	0	0	0	110.9	V460 N461 A467 A468	V460-I464 HydrophobicContact CG1-CD1 3.95Å; V460-I464 VanDerWaalsContact O-CG1 3.32Å; V460-I464 WeakPolarHBondContact O-CG1 3.2Å; V460-I464 PolarHBondContact O-N 2.87Å; N461-I464 PolarHBondContact O-N 3.44Å; I464-A467 PolarHBondContact O-N 2.99Å; I464-A468 WeakPolarHBondContact O-CB 3.42Å; I464-A468 PolarHBondContact O-N 3.21Å
465	V	80.7	Confident	73.9	Confident	86 Å²	86	105.3 Å²	105.3	52%	0.521	57%	0.566	S	S	.	*	H	α-helix	trans	-66.2	-41.3	178.1	173	0	0	0	0	111.3	N461 F462 A468 L469	N461-V465 WeakPolarHBondContact O-CG2 3.28Å; N461-V465 PolarHBondContact O-N 2.94Å; F462-V465 PolarHBondContact O-N 2.98Å; V465-A468 PolarHBondContact O-N 3.37Å; V465-L469 HydrophobicContact CG1-CD1 3.97Å; V465-L469 WeakPolarHBondContact O-CG 3.41Å; V465-L469 PolarHBondContact O-N 3.3Å
466	A	80.8	Confident	76	Confident	41 Å²	41	106.4 Å²	106.4	34%	0.339	56%	0.559	S	S	.	*	H	α-helix	trans	-64.1	-40.5	175.9	0	0	0	0	0	112.3	F462 L463 L469 T470	F462-A466 WeakPolarHBondContact O-CB 3.49Å; F462-A466 PolarHBondContact O-N 2.8Å; L463-A466 PolarHBondContact O-N 3.22Å; A466-L469 PolarHBondContact O-N 3.16Å; A466-T470 WeakPolarHBondContact O-CG2 3.39Å; A466-T470 PolarHBondContact O-N 3.03Å; A466-T470 PolarHBondContact O-OG1 3.34Å
467	A	81.4	Confident	77.5	Confident	51 Å²	51	102.9 Å²	102.9	42%	0.421	54%	0.544	S	S	.	.	H	α-helix	trans	-64.9	-40.1	174.3	0	0	0	0	0	112.1	L463 I464 T470 C471	L463-A467 WeakPolarHBondContact O-CB 3.32Å; L463-A467 PolarHBondContact O-N 3Å; I464-A467 PolarHBondContact O-N 2.99Å; A467-T470 WeakPolarHBondContact CA-OG1 3.37Å; A467-T470 PolarHBondContact O-OG1 3.17Å; A467-C471 WeakPolarHBondContact O-CB 3.06Å; A467-C471 PolarHBondContact O-N 2.85Å; A467-C471 PolarHBondContact O-SG 3.14Å
468	A	82.2	Confident	79.4	Confident	60 Å²	60	94.5 Å²	94.5	50%	0.496	52%	0.522	S	S	.	.	H	α-helix	trans	-65.4	-41.8	176.5	0	0	0	0	0	112.3	I464 V465 C471 F472	I464-A468 WeakPolarHBondContact O-CB 3.42Å; I464-A468 PolarHBondContact O-N 3.21Å; V465-A468 PolarHBondContact O-N 3.37Å; A468-C471 PolarHBondContact O-N 3.35Å; A468-F472 WeakPolarHBondContact O-CB 3.07Å; A468-F472 PolarHBondContact O-N 2.82Å
469	L	83.9	Confident	80.9	Confident	113 Å²	113	93.8 Å²	93.8	59%	0.592	52%	0.519	S	S	*	.	H	α-helix	trans	-65.7	-40.8	177.8	-77.1	165.6	0	0	0	112.5	V465 A466 F472 F473	V465-L469 HydrophobicContact CG1-CD1 3.97Å; V465-L469 WeakPolarHBondContact O-CG 3.41Å; V465-L469 PolarHBondContact O-N 3.3Å; A466-L469 PolarHBondContact O-N 3.16Å; L469-F472 PolarHBondContact O-N 2.95Å; L469-F473 PolarHBondContact O-N 3.16Å
470	T	82.9	Confident	82.3	Confident	85 Å²	85	93.5 Å²	93.5	52%	0.521	52%	0.518	S	S	.	.	H	α-helix	trans	-66.3	-43.7	176.8	45.9	0	0	0	0	111.7	A466 A467 F472 F473 V474	A466-T470 WeakPolarHBondContact O-CG2 3.39Å; A466-T470 PolarHBondContact O-N 3.03Å; A466-T470 PolarHBondContact O-OG1 3.34Å; A467-T470 WeakPolarHBondContact CA-OG1 3.37Å; A467-T470 PolarHBondContact O-OG1 3.17Å; T470-F472 VanDerWaalsContact C-N 3.32Å; T470-F472 PolarHBondContact O-N 2.69Å; T470-F473 PolarHBondContact O-N 3.35Å; T470-V474 WeakPolarHBondContact O-CG2 3.3Å; T470-V474 PolarHBondContact O-N 3.47Å
471	C	83	Confident	83.2	Confident	80 Å²	80	94.8 Å²	94.8	54%	0.541	52%	0.521	S	S	.	.	H	α-helix	trans	-59.1	-41.5	172.4	-76.4	0	0	0	0	112.5	A467 A468 V474 L475	A467-C471 WeakPolarHBondContact O-CB 3.06Å; A467-C471 PolarHBondContact O-N 2.85Å; A467-C471 PolarHBondContact O-SG 3.14Å; A468-C471 PolarHBondContact O-N 3.35Å; C471-V474 PolarHBondContact O-N 2.99Å; C471-L475 WeakPolarHBondContact O-CG 3.28Å; C471-L475 PolarHBondContact O-N 2.85Å; C471-L475 VanDerWaalsContact O-N 3.09Å
472	F	85.5	Confident	84	Confident	132 Å²	132	95 Å²	95	58%	0.579	52%	0.522	S	S	*	.	H	α-helix	trans	-64.8	-39.9	177.6	-167.2	-105.9	0	0	0	112.1	A468 L469 T470 L475 I476	A468-F472 WeakPolarHBondContact O-CB 3.07Å; A468-F472 PolarHBondContact O-N 2.82Å; L469-F472 PolarHBondContact O-N 2.95Å; T470-F472 VanDerWaalsContact C-N 3.32Å; T470-F472 PolarHBondContact O-N 2.69Å; F472-L475 PolarHBondContact O-N 3.32Å; F472-I476 HydrophobicContact CD1-CD1 3.6Å; F472-I476 HydrophobicContact CD1-CG1 4.45Å; F472-I476 HydrophobicContact CE1-CD1 3.36Å; F472-I476 HydrophobicContact CE1-CG1 4.28Å; F472-I476 HydrophobicContact CZ-CD1 4.08Å; F472-I476 WeakPolarHBondContact O-CG1 3.47Å; F472-I476 PolarHBondContact O-N 3.24Å
473	F	84.6	Confident	84.4	Confident	145 Å²	145	91.4 Å²	91.4	64%	0.636	52%	0.517	S	S	*	.	H	α-helix	trans	-66.4	-41.8	177.9	-147.4	-91.6	0	0	0	112.1	L469 T470 L475 I476 C477	L469-F473 PolarHBondContact O-N 3.16Å; T470-F473 PolarHBondContact O-N 3.35Å; F473-L475 VanDerWaalsContact C-N 3.33Å; F473-L475 PolarHBondContact O-N 3.37Å; F473-I476 PolarHBondContact O-N 2.94Å; F473-C477 PolarHBondContact O-N 3.24Å; F473-C477 PolarHBondContact O-SG 3.33Å; F473-C477 VanDerWaalsContact O-SG 3.4Å
474	V	86.4	Confident	84.9	Confident	103 Å²	103	93.2 Å²	93.2	62%	0.624	52%	0.517	S	S	*	.	H	α-helix	trans	-61.4	-41.8	175.3	172.8	0	0	0	0	111.2	T470 C471 C477 A478	T470-V474 WeakPolarHBondContact O-CG2 3.3Å; T470-V474 PolarHBondContact O-N 3.47Å; C471-V474 PolarHBondContact O-N 2.99Å; V474-C477 PolarHBondContact O-N 2.87Å; V474-A478 WeakPolarHBondContact O-CB 3.4Å; V474-A478 PolarHBondContact O-N 3.38Å
475	L	86.8	Confident	85.1	Confident	103 Å²	103	91.5 Å²	91.5	54%	0.539	51%	0.512	S	S	.	.	H	α-helix	trans	-63.6	-42.9	176.4	-74.8	166.4	0	0	0	112.1	C471 F472 F473 A478 F479	C471-L475 WeakPolarHBondContact O-CG 3.28Å; C471-L475 PolarHBondContact O-N 2.85Å; C471-L475 VanDerWaalsContact O-N 3.09Å; F472-L475 PolarHBondContact O-N 3.32Å; F473-L475 VanDerWaalsContact C-N 3.33Å; F473-L475 PolarHBondContact O-N 3.37Å; L475-A478 PolarHBondContact O-N 2.88Å; L475-F479 WeakPolarHBondContact O-CD2 3.32Å; L475-F479 PolarHBondContact O-N 3.35Å
476	I	88.3	Confident	85.1	Confident	71 Å²	71	97 Å²	97	36%	0.364	52%	0.523	S	S	.	.	H	α-helix	trans	-61.5	-46.8	175.9	-71.5	169.1	0	0	0	110.8	F472 F473 A478 F479 I480	F472-I476 HydrophobicContact CD1-CD1 3.6Å; F472-I476 HydrophobicContact CD1-CG1 4.45Å; F472-I476 HydrophobicContact CE1-CD1 3.36Å; F472-I476 HydrophobicContact CE1-CG1 4.28Å; F472-I476 HydrophobicContact CZ-CD1 4.08Å; F472-I476 WeakPolarHBondContact O-CG1 3.47Å; F472-I476 PolarHBondContact O-N 3.24Å; F473-I476 PolarHBondContact O-N 2.94Å; I476-A478 VanDerWaalsContact C-N 3.32Å; I476-A478 PolarHBondContact O-N 3.02Å; I476-F479 PolarHBondContact O-N 2.89Å; I476-I480 HydrophobicContact CG2-CD1 3.74Å; I476-I480 HydrophobicContact CG2-CG1 4.37Å; I476-I480 WeakPolarHBondContact O-CG1 3.28Å; I476-I480 PolarHBondContact O-N 3.08Å
477	C	86.9	Confident	85	Confident	54 Å²	54	98.5 Å²	98.5	37%	0.365	53%	0.531	S	S	.	.	H	α-helix	trans	-59.6	-42.8	177.4	-71	0	0	0	0	111.8	F473 V474 F479 I480 I481	F473-C477 PolarHBondContact O-N 3.24Å; F473-C477 PolarHBondContact O-SG 3.33Å; F473-C477 VanDerWaalsContact O-SG 3.4Å; V474-C477 PolarHBondContact O-N 2.87Å; C477-F479 PolarHBondContact O-N 3.16Å; C477-I480 PolarHBondContact O-N 2.93Å; C477-I481 VanDerWaalsContact O-CG1 3.3Å; C477-I481 WeakPolarHBondContact O-CG1 3.48Å; C477-I481 PolarHBondContact O-N 3.09Å
478	A	86.5	Confident	84.8	Confident	45 Å²	45	103.5 Å²	103.5	37%	0.372	54%	0.538	S	S	.	.	H	α-helix	trans	-61.9	-41.8	175.9	0	0	0	0	0	112.3	V474 L475 I476 I481 L482	V474-A478 WeakPolarHBondContact O-CB 3.4Å; V474-A478 PolarHBondContact O-N 3.38Å; L475-A478 PolarHBondContact O-N 2.88Å; I476-A478 VanDerWaalsContact C-N 3.32Å; I476-A478 PolarHBondContact O-N 3.02Å; A478-I481 PolarHBondContact O-N 3.04Å; A478-L482 WeakPolarHBondContact O-CB 3.34Å; A478-L482 WeakPolarHBondContact O-CG 3.47Å; A478-L482 PolarHBondContact O-N 3.18Å
479	F	88.1	Confident	84.4	Confident	151 Å²	151	105.3 Å²	105.3	66%	0.662	54%	0.539	S	S	*	.	H	α-helix	trans	-63.9	-41.3	175.3	-96.9	-79.5	0	0	0	112.8	L475 I476 C477 L482 A483	L475-F479 WeakPolarHBondContact O-CD2 3.32Å; L475-F479 PolarHBondContact O-N 3.35Å; I476-F479 PolarHBondContact O-N 2.89Å; C477-F479 PolarHBondContact O-N 3.16Å; F479-L482 PolarHBondContact O-N 3.49Å; F479-A483 WeakPolarHBondContact O-CB 3.42Å; F479-A483 PolarHBondContact O-N 3.2Å
480	I	88.9	Confident	83.7	Confident	109 Å²	109	103.3 Å²	103.3	56%	0.559	53%	0.534	S	S	*	.	H	α-helix	trans	-63.8	-43.6	177	-67.9	168.7	0	0	0	110.6	I476 C477 A483 Y484	I476-I480 HydrophobicContact CG2-CD1 3.74Å; I476-I480 HydrophobicContact CG2-CG1 4.37Å; I476-I480 WeakPolarHBondContact O-CG1 3.28Å; I476-I480 PolarHBondContact O-N 3.08Å; C477-I480 PolarHBondContact O-N 2.93Å; I480-A483 PolarHBondContact O-N 3.06Å; I480-Y484 WeakPolarHBondContact O-CB 3.45Å; I480-Y484 PolarHBondContact O-N 3.42Å
481	I	86.7	Confident	82.7	Confident	109 Å²	109	104.4 Å²	104.4	56%	0.559	54%	0.536	S	S	*	.	H	α-helix	trans	-62.5	-46	177	-67.8	166.7	0	0	0	110.5	C477 A478 A483 Y484 V485	C477-I481 VanDerWaalsContact O-CG1 3.3Å; C477-I481 WeakPolarHBondContact O-CG1 3.48Å; C477-I481 PolarHBondContact O-N 3.09Å; A478-I481 PolarHBondContact O-N 3.04Å; I481-A483 PolarHBondContact O-N 3.09Å; I481-Y484 PolarHBondContact O-N 2.9Å; I481-V485 HydrophobicContact CG2-CG2 4.39Å; I481-V485 VanDerWaalsContact O-CG2 3.32Å; I481-V485 WeakPolarHBondContact O-CG2 3.45Å; I481-V485 PolarHBondContact O-N 3.33Å
482	L	86.6	Confident	81.5	Confident	110 Å²	110	104.5 Å²	104.5	58%	0.576	53%	0.534	S	S	*	.	H	α-helix	trans	-62	-40.5	177.3	-76.3	166.7	0	0	0	112.5	A478 F479 R486	A478-L482 WeakPolarHBondContact O-CB 3.34Å; A478-L482 WeakPolarHBondContact O-CG 3.47Å; A478-L482 PolarHBondContact O-N 3.18Å; F479-L482 PolarHBondContact O-N 3.49Å; L482-R486 WeakPolarHBondContact O-CB 3.37Å; L482-R486 PolarHBondContact O-N 2.68Å
483	A	86	Confident	80.1	Confident	60 Å²	60	101.7 Å²	101.7	50%	0.496	53%	0.528	S	S	.	.	H	α-helix	trans	-64.6	-42.1	175.1	0	0	0	0	0	111.7	F479 I480 I481 R486 C487	F479-A483 WeakPolarHBondContact O-CB 3.42Å; F479-A483 PolarHBondContact O-N 3.2Å; I480-A483 PolarHBondContact O-N 3.06Å; I481-A483 PolarHBondContact O-N 3.09Å; A483-R486 PolarHBondContact O-N 3.07Å; A483-C487 WeakPolarHBondContact O-CB 3.37Å; A483-C487 PolarHBondContact O-N 3.25Å
484	Y	86.2	Confident	78.7	Confident	145 Å²	145	99.1 Å²	99.1	57%	0.569	53%	0.525	S	S	*	.	H	α-helix	trans	-63.8	-44.8	176.6	-174.9	-95.9	0	0	0	111.9	I480 I481 C487 R488	I480-Y484 WeakPolarHBondContact O-CB 3.45Å; I480-Y484 PolarHBondContact O-N 3.42Å; I481-Y484 PolarHBondContact O-N 2.9Å; Y484-C487 PolarHBondContact O-N 2.77Å; Y484-R488 HydrophobicContact CD1-CG 4.41Å; Y484-R488 HydrophobicContact CE1-CG 3.9Å; Y484-R488 WeakPolarHBondContact O-CB 3.46Å; Y484-R488 PolarHBondContact O-N 3.26Å
485	V	83.9	Confident	77	Confident	69 Å²	69	104.2 Å²	104.2	42%	0.418	53%	0.533	S	S	.	.	H	α-helix	trans	-62.2	-45	176.5	171.7	0	0	0	0	111	I481 C487 R488 I489	I481-V485 HydrophobicContact CG2-CG2 4.39Å; I481-V485 VanDerWaalsContact O-CG2 3.32Å; I481-V485 WeakPolarHBondContact O-CG2 3.45Å; I481-V485 PolarHBondContact O-N 3.33Å; V485-C487 PolarHBondContact O-N 3Å; V485-R488 PolarHBondContact O-N 3.11Å; V485-I489 HydrophobicContact CG1-CD1 3.79Å; V485-I489 HydrophobicContact CG1-CG1 4.46Å; V485-I489 VanDerWaalsContact O-CG1 3.3Å; V485-I489 WeakPolarHBondContact O-CG1 3.44Å; V485-I489 PolarHBondContact O-N 2.92Å
486	R	82	Confident	75.3	Confident	201 Å²	201	103.8 Å²	103.8	76%	0.758	53%	0.534	S	S	*	.	H	α-helix	trans	-60.8	-41.9	175.1	-85.6	-175.8	165.1	177.8	-3.1	112.7	L482 A483 I489 S490	L482-R486 WeakPolarHBondContact O-CB 3.37Å; L482-R486 PolarHBondContact O-N 2.68Å; A483-R486 PolarHBondContact O-N 3.07Å; R486-I489 PolarHBondContact O-N 2.93Å; R486-S490 WeakPolarHBondContact O-CB 3.47Å; R486-S490 PolarHBondContact O-N 2.68Å
487	C	78.3	Confident	73.4	Confident	73 Å²	73	108.1 Å²	108.1	49%	0.493	55%	0.551	S	S	.	*	H	α-helix	trans	-65.6	-43.3	178.2	-163.4	0	0	0	0	111.5	A483 Y484 V485 S490 L491	A483-C487 WeakPolarHBondContact O-CB 3.37Å; A483-C487 PolarHBondContact O-N 3.25Å; Y484-C487 PolarHBondContact O-N 2.77Å; V485-C487 PolarHBondContact O-N 3Å; C487-S490 PolarHBondContact O-N 3.19Å; C487-L491 WeakPolarHBondContact O-CG 3.23Å; C487-L491 PolarHBondContact O-N 2.71Å
488	R	76.2	Confident	71.6	Confident	155 Å²	155	107.4 Å²	107.4	59%	0.585	55%	0.552	S	S	*	*	H	α-helix	trans	-58.1	-48.6	173.5	-96.8	-86.1	-167	174	2.6	111.9	Y484 V485 S490 L491 T492	Y484-R488 HydrophobicContact CD1-CG 4.41Å; Y484-R488 HydrophobicContact CE1-CG 3.9Å; Y484-R488 WeakPolarHBondContact O-CB 3.46Å; Y484-R488 PolarHBondContact O-N 3.26Å; V485-R488 PolarHBondContact O-N 3.11Å; R488-S490 VanDerWaalsContact C-N 3.34Å; R488-S490 PolarHBondContact O-N 3.42Å; R488-L491 PolarHBondContact O-N 2.77Å; R488-T492 PolarHBondContact O-N 3.18Å; R488-T492 PolarHBondContact O-OG1 3.38Å
489	I	75.3	Confident	69.7	Low	98 Å²	98	113.5 Å²	113.5	50%	0.503	57%	0.567	S	S	.	*	H	α-helix	trans	-59.9	-45.8	179.9	-68.4	167.3	0	0	0	110.4	V485 R486 L491 T492 T493	V485-I489 HydrophobicContact CG1-CD1 3.79Å; V485-I489 HydrophobicContact CG1-CG1 4.46Å; V485-I489 VanDerWaalsContact O-CG1 3.3Å; V485-I489 WeakPolarHBondContact O-CG1 3.44Å; V485-I489 PolarHBondContact O-N 2.92Å; R486-I489 PolarHBondContact O-N 2.93Å; I489-L491 VanDerWaalsContact C-N 3.33Å; I489-L491 PolarHBondContact O-N 2.85Å; I489-T492 WeakPolarHBondContact CA-OG1 3.32Å; I489-T492 PolarHBondContact O-N 3.06Å; I489-T492 PolarHBondContact O-OG1 2.96Å; I489-T493 PolarHBondContact O-N 3.01Å; I489-T493 PolarHBondContact O-OG1 2.91Å
490	S	69	Low	67.8	Low	71 Å²	71	112.4 Å²	112.4	50%	0.497	56%	0.563	S	S	.	*	H	α-helix	trans	-62.3	-35.9	178.6	-162.1	0	0	0	0	113.3	R486 C487 R488 T493 T494	R486-S490 WeakPolarHBondContact O-CB 3.47Å; R486-S490 PolarHBondContact O-N 2.68Å; C487-S490 PolarHBondContact O-N 3.19Å; R488-S490 VanDerWaalsContact C-N 3.34Å; R488-S490 PolarHBondContact O-N 3.42Å; S490-T493 WeakPolarHBondContact CA-OG1 3.4Å; S490-T493 PolarHBondContact O-OG1 2.93Å; S490-T493 VanDerWaalsContact O-OG1 3.12Å; S490-T494 PolarHBondContact O-N 3.19Å; S490-T494 VanDerWaalsContact O-N 3.17Å; S490-T494 PolarHBondContact O-OG1 3.01Å
491	L	62	Low	66	Low	109 Å²	109	112.3 Å²	112.3	57%	0.571	56%	0.564	S	S	*	*	H	α-helix	trans	-72.2	-33.8	175.2	-76.2	162	0	0	0	112.6	C487 R488 I489 T494 R495	C487-L491 WeakPolarHBondContact O-CG 3.23Å; C487-L491 PolarHBondContact O-N 2.71Å; R488-L491 PolarHBondContact O-N 2.77Å; I489-L491 VanDerWaalsContact C-N 3.33Å; I489-L491 PolarHBondContact O-N 2.85Å; L491-T494 WeakPolarHBondContact CA-OG1 3.49Å; L491-T494 PolarHBondContact O-OG1 3.15Å; L491-R495 PolarHBondContact O-N 3.38Å
492	T	58.2	Low	64.5	Low	81 Å²	81	112.1 Å²	112.1	50%	0.497	56%	0.564	S	S	.	*	H	α-helix	trans	-72.4	-39.1	173.4	21.5	0	0	0	0	112.7	R488 I489 R495 V496	R488-T492 PolarHBondContact O-N 3.18Å; R488-T492 PolarHBondContact O-OG1 3.38Å; I489-T492 WeakPolarHBondContact CA-OG1 3.32Å; I489-T492 PolarHBondContact O-N 3.06Å; I489-T492 PolarHBondContact O-OG1 2.96Å; T492-R495 PolarHBondContact O-N 3.33Å; T492-V496 VanDerWaalsContact O-CG2 3.28Å; T492-V496 WeakPolarHBondContact O-CG2 3.49Å; T492-V496 PolarHBondContact O-N 2.94Å
493	T	55.8	Low	62.8	Low	73 Å²	73	111 Å²	111	45%	0.448	56%	0.558	S	S	.	*	H	α-helix	trans	-66.9	-37.9	176.5	36.4	0	0	0	0	111.9	I489 S490 V496 F497	I489-T493 PolarHBondContact O-N 3.01Å; I489-T493 PolarHBondContact O-OG1 2.91Å; S490-T493 WeakPolarHBondContact CA-OG1 3.4Å; S490-T493 PolarHBondContact O-OG1 2.93Å; S490-T493 VanDerWaalsContact O-OG1 3.12Å; T493-V496 PolarHBondContact O-N 2.89Å; T493-F497 VanDerWaalsContact O-CD2 3.3Å; T493-F497 WeakPolarHBondContact O-CD2 3.32Å; T493-F497 PolarHBondContact O-N 2.85Å
494	T	55	Low	61.3	Low	92 Å²	92	112.7 Å²	112.7	56%	0.564	56%	0.559	S	S	*	*	H	α-helix	trans	-68.5	-32.6	174.2	36.6	0	0	0	0	113.5	S490 L491 G498	S490-T494 PolarHBondContact O-N 3.19Å; S490-T494 VanDerWaalsContact O-N 3.17Å; S490-T494 PolarHBondContact O-OG1 3.01Å; L491-T494 WeakPolarHBondContact CA-OG1 3.49Å; L491-T494 PolarHBondContact O-OG1 3.15Å; T494-G498 PolarHBondContact O-N 2.85Å
495	R	50	Low	59.7	Low	210 Å²	210	112 Å²	112	79%	0.792	56%	0.559	S	S	*	*	H	α-helix	trans	-73.1	-31.9	173.8	-108.6	-177.9	177.6	179.6	-0.6	114	L491 T492 Y499	L491-R495 PolarHBondContact O-N 3.38Å; T492-R495 PolarHBondContact O-N 3.33Å; R495-Y499 PolarHBondContact O-N 2.84Å
496	V	51.4	Low	58.2	Low	93 Å²	93	116.2 Å²	116.2	56%	0.564	57%	0.574	S	S	*	*	H	α-helix	trans	-75.2	-32.9	179.4	173.2	0	0	0	0	111.6	T492 T493	T492-V496 VanDerWaalsContact O-CG2 3.28Å; T492-V496 WeakPolarHBondContact O-CG2 3.49Å; T492-V496 PolarHBondContact O-N 2.94Å; T493-V496 PolarHBondContact O-N 2.89Å
497	F	49.3	Very low	56.5	Low	163 Å²	163	111.7 Å²	111.7	72%	0.715	56%	0.564	S	S	*	*	H	α-helix	trans	-76.4	-28.3	172.2	-79.6	-74.6	0	0	0	113.4	T493	T493-F497 VanDerWaalsContact O-CD2 3.3Å; T493-F497 WeakPolarHBondContact O-CD2 3.32Å; T493-F497 PolarHBondContact O-N 2.85Å
498	G	47.8	Very low	55.3	Low	38 Å²	38	113.3 Å²	113.3	39%	0.392	57%	0.572	S	S	.	*	H	α-helix	trans	-76.3	-26	176.4	0	0	0	0	0	114.8	T494	T494-G498 PolarHBondContact O-N 2.85Å
499	Y	47.1	Very low	54	Low	174 Å²	174	114.3 Å²	114.3	68%	0.682	58%	0.581	S	S	*	*	H	α-helix	trans	-85.7	-23.4	-179	-148.8	-103.4	0	0	0	113.1	R495 L503	R495-Y499 PolarHBondContact O-N 2.84Å; Y499-L503 HydrophobicContact CD1-CD1 3.68Å; Y499-L503 HydrophobicContact CE1-CD1 3.4Å; Y499-L503 VanDerWaalsContact CE1-CD1 3.4Å; Y499-L503 PolarHBondContact O-N 3.18Å
500	Q	48.1	Very low	52.7	Low	127 Å²	127	114 Å²	114	59%	0.593	59%	0.587	S	S	*	*	H	α-helix	trans	-72.9	-36.1	175.5	-152	82.9	16	0	0	111.5	D504	Q500-D504 PolarHBondContact O-N 3Å
501	D	52	Low	51.8	Low	107 Å²	107	118.9 Å²	118.9	57%	0.572	60%	0.602	S	S	*	*	H	α-helix	trans	-76.5	-22.3	-179.2	-125.6	17.3	0	0	0	113.5	K505	D501-K505 WeakPolarHBondContact O-CG 3.43Å
502	D	53.7	Low	51.3	Low	105 Å²	105	119 Å²	119	56%	0.561	61%	0.607	S	S	*	*	H	α-helix	trans	-89.6	-29	173.6	-86.8	-22.7	0	0	0	112.6	K505 E506	D502-K505 PolarHBondContact O-N 2.86Å; D502-E506 PolarHBondContact O-N 3.09Å
503	L	51.3	Low	50.6	Low	87 Å²	87	123.4 Å²	123.4	46%	0.455	63%	0.627	S	S	.	*	H	α-helix	trans	-69.6	-38	172.2	-117.8	89.9	0	0	0	112.2	Y499 K505 E506 L507	Y499-L503 HydrophobicContact CD1-CD1 3.68Å; Y499-L503 HydrophobicContact CE1-CD1 3.4Å; Y499-L503 VanDerWaalsContact CE1-CD1 3.4Å; Y499-L503 PolarHBondContact O-N 3.18Å; L503-K505 VanDerWaalsContact C-N 3.26Å; L503-K505 PolarHBondContact O-N 3.34Å; L503-E506 PolarHBondContact O-N 2.85Å; L503-L507 PolarHBondContact O-N 3.49Å; L503-L507 VanDerWaalsContact O-N 3.07Å
504	D	54	Low	49.9	Very low	95 Å²	95	125.4 Å²	125.4	51%	0.508	64%	0.643	S	S	.	*	H	α-helix	trans	-70.8	-21.6	176.5	-76.9	-19.2	0	0	0	112.4	Q500 V508	Q500-D504 PolarHBondContact O-N 3Å; D504-V508 VanDerWaalsContact O-CG2 3.28Å; D504-V508 WeakPolarHBondContact O-CG2 3.26Å
505	K	53.8	Low	49.1	Very low	130 Å²	130	130.3 Å²	130.3	57%	0.565	66%	0.66	S	S	*	*	H	α-helix	trans	-84.1	-24.6	173.5	-78.5	176.1	-174.9	160.2	0	114.4	D501 D502 L503	D501-K505 WeakPolarHBondContact O-CG 3.43Å; D502-K505 PolarHBondContact O-N 2.86Å; L503-K505 VanDerWaalsContact C-N 3.26Å; L503-K505 PolarHBondContact O-N 3.34Å
506	E	51.2	Low	48.5	Very low	159 Å²	159	128.6 Å²	128.6	74%	0.743	69%	0.691	S	S	*	*	H	α-helix	trans	-83.9	-32.2	172	-78	-141.5	144.4	0	0	112.9	D502 L503 K509	D502-E506 PolarHBondContact O-N 3.09Å; L503-E506 PolarHBondContact O-N 2.85Å; E506-K509 PolarHBondContact O-N 3.06Å
507	L	47.9	Very low	48.4	Very low	105 Å²	105	130.4 Å²	130.4	55%	0.55	70%	0.697	S	S	.	*	H	α-helix	trans	-66.5	-36.5	175	-90.2	148.4	0	0	0	112.6	L503 K509 S510	L503-L507 PolarHBondContact O-N 3.49Å; L503-L507 VanDerWaalsContact O-N 3.07Å; L507-K509 VanDerWaalsContact C-N 3.28Å; L507-K509 PolarHBondContact O-N 3.33Å; L507-S510 PolarHBondContact O-N 3.33Å; L507-S510 PolarHBondContact O-OG 3.31Å; L507-S510 VanDerWaalsContact O-OG 3.05Å
508	V	52.3	Low	48.4	Very low	108 Å²	108	128.7 Å²	128.7	66%	0.655	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.3	-16.6	175.6	175	0	0	0	0	113.3	D504	D504-V508 VanDerWaalsContact O-CG2 3.28Å; D504-V508 WeakPolarHBondContact O-CG2 3.26Å
509	K	49.3	Very low	48.4	Very low	176 Å²	176	133.7 Å²	133.7	77%	0.765	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.6	-8.6	175.1	-93.7	179.6	175.5	177.6	0	114.4	E506 L507	E506-K509 PolarHBondContact O-N 3.06Å; L507-K509 VanDerWaalsContact C-N 3.28Å; L507-K509 PolarHBondContact O-N 3.33Å
510	S	48.2	Very low	48.5	Very low	90 Å²	90	131.4 Å²	131.4	63%	0.629	72%	0.715	S	S	*	*	S	Bend	trans	-97.9	-6	-178.7	71.7	0	0	0	0	114.8	L507	L507-S510 PolarHBondContact O-N 3.33Å; L507-S510 PolarHBondContact O-OG 3.31Å; L507-S510 VanDerWaalsContact O-OG 3.05Å
511	E	49.8	Very low	48.5	Very low	175 Å²	175	131.6 Å²	131.6	82%	0.818	72%	0.723	S	S	*	*	S	Bend	trans	-104.6	9.8	177.7	-77.7	-173.7	150.9	0	0	114.2
512	V	52	Low	48.3	Very low	111 Å²	111	133.3 Å²	133.3	67%	0.673	73%	0.733	S	S	*	*	S	Bend	trans	-131.3	85.9	177.1	-174.6	0	0	0	0	108.6
513	L	42	Very low	47.9	Very low	174 Å²	174	135.3 Å²	135.3	91%	0.911	75%	0.745	S	S	*	*			trans	172.3	70.4	152	-90.8	155	0	0	0	109.7
514	S	40.8	Very low	47.6	Very low	114 Å²	114	139 Å²	139	80%	0.797	77%	0.767	S	S	*	*			trans	-133.6	83.7	157.1	64.7	0	0	0	0	107.4
515	E	38.3	Very low	47.1	Very low	195 Å²	195	142.7 Å²	142.7	91%	0.911	79%	0.789	S	S	*	*			trans	167.8	83.5	162.7	-98.3	172.7	-170.4	0	0	108.5
516	A	39.4	Very low	46.5	Very low	175 Å²	175	143.8 Å²	143.8	100%	1.446	81%	0.809	S	S	*	*			trans	177.9	0	152.8	0	0	0	0	0	109.8

Retrieved 516 of 516 residues in 163.3 ms (Link to these results)

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