G4VEY6_SCHMA Loading...

Putative dna cross-link repair protein pso2/snm1

AlphaFold DB , UniProt , Accession G4VEY6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 431 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	38	Very low	36.2	Very low	223 Å²	223	173.4 Å²	173.4	100%	1.099	86%	0.861	S	S	*	*				0	94.6	0	-81.4	151.1	73.8	0	0	109.3	K3	M1-K3 PolarHBondContact O-N 3.26Å; M1-K3 VanDerWaalsContact O-N 3.14Å
2	N	38.1	Very low	36.1	Very low	161 Å²	161	177.4 Å²	177.4	86%	0.861	86%	0.862	S	S	*	*			trans	-77.3	95.3	-178.8	-80	-11.4	0	0	0	110.8	T4	N2-T4 PolarHBondContact O-N 3.5Å
3	K	39.7	Very low	35.8	Very low	196 Å²	196	171.7 Å²	171.7	85%	0.852	86%	0.861	S	S	*	*			trans	-89.6	79.6	166.8	-77.4	-174.5	176.6	178.1	0	109.5	M1 G5	M1-K3 PolarHBondContact O-N 3.26Å; M1-K3 VanDerWaalsContact O-N 3.14Å; K3-G5 PolarHBondContact O-N 3.32Å; K3-G5 VanDerWaalsContact O-N 3.15Å
4	T	40.6	Very low	35.5	Very low	127 Å²	127	161.9 Å²	161.9	78%	0.779	83%	0.825	S	S	*	*			trans	-79.7	92.5	167.6	44.4	0	0	0	0	108.9	N2 K6	N2-T4 PolarHBondContact O-N 3.5Å; T4-K6 PolarHBondContact O-N 2.98Å; T4-K6 VanDerWaalsContact O-N 3.1Å
5	G	36.8	Very low	35.9	Very low	70 Å²	70	158.8 Å²	158.8	72%	0.722	81%	0.806	S	S	*	*			trans	-59.4	111.3	173.6	0	0	0	0	0	110.7	K3 K7	K3-G5 PolarHBondContact O-N 3.32Å; K3-G5 VanDerWaalsContact O-N 3.15Å; G5-K7 PolarHBondContact O-N 3.32Å
6	K	36.7	Very low	36.7	Very low	207 Å²	207	151.4 Å²	151.4	90%	0.9	77%	0.773	S	S	*	*			trans	-61.4	102	168	-82.3	178.9	175	174.4	0	108.5	T4 R8	T4-K6 PolarHBondContact O-N 2.98Å; T4-K6 VanDerWaalsContact O-N 3.1Å; K6-R8 PolarHBondContact O-N 3.12Å
7	K	35.9	Very low	37.9	Very low	203 Å²	203	143.5 Å²	143.5	88%	0.883	73%	0.733	S	S	*	*			trans	-57.4	105.2	166.5	-80.4	-178.6	175.1	177.1	0	108.3	G5 K9	G5-K7 PolarHBondContact O-N 3.32Å; K7-K9 PolarHBondContact O-N 3.2Å; K7-K9 VanDerWaalsContact O-N 3.13Å
8	R	32.5	Very low	38.6	Very low	240 Å²	240	136.3 Å²	136.3	91%	0.906	70%	0.696	S	S	*	*			trans	-57.3	114.3	165.2	-94.4	177.3	152.4	175.7	-7.1	107.3	K6 K10	K6-R8 PolarHBondContact O-N 3.12Å; R8-K10 PolarHBondContact O-N 3.3Å
9	K	33.8	Very low	39.4	Very low	205 Å²	205	130.5 Å²	130.5	89%	0.891	67%	0.669	S	S	*	*			trans	-56.2	120.7	169.4	-79.8	-176.7	173.9	-179.4	0	107.4	K7 G11	K7-K9 PolarHBondContact O-N 3.2Å; K7-K9 VanDerWaalsContact O-N 3.13Å; K9-G11 PolarHBondContact O-N 2.7Å; K9-G11 VanDerWaalsContact O-N 3.08Å
10	K	34.4	Very low	39.8	Very low	211 Å²	211	130.6 Å²	130.6	92%	0.917	66%	0.662	S	S	*	*			trans	-58.2	111.8	168.4	-79.2	-177.8	171.6	-178	0	107	R8	R8-K10 PolarHBondContact O-N 3.3Å
11	G	31.3	Very low	40.4	Very low	64 Å²	64	126.8 Å²	126.8	66%	0.66	64%	0.641	S	S	*	*			trans	-63.3	153.9	170.8	0	0	0	0	0	110.3	K9 A13	K9-G11 PolarHBondContact O-N 2.7Å; K9-G11 VanDerWaalsContact O-N 3.08Å; G11-A13 PolarHBondContact O-N 3.26Å
12	Y	34.9	Very low	40.9	Very low	222 Å²	222	122.3 Å²	122.3	87%	0.871	62%	0.62	S	S	*	*			trans	-51.6	132.4	175.4	-172.8	-102.5	0	0	0	110.8
13	A	33	Very low	41	Very low	103 Å²	103	120.9 Å²	120.9	85%	0.851	60%	0.602	S	S	*	*			trans	-103.1	10.4	-174.9	0	0	0	0	0	113.5	G11	G11-A13 PolarHBondContact O-N 3.26Å
14	G	31.7	Very low	40.9	Very low	35 Å²	35	116.3 Å²	116.3	36%	0.361	59%	0.588	S	S	.	*	S	Bend	trans	-67.9	146.8	169.5	0	0	0	0	0	110.3	S16	G14-S16 PolarHBondContact O-N 2.96Å; G14-S16 VanDerWaalsContact O-N 3.08Å
15	E	41.3	Very low	40.7	Very low	115 Å²	115	114.4 Å²	114.4	54%	0.537	58%	0.576	S	S	.	*			trans	-62.2	113.3	172.1	-63.5	-161.8	136.5	0	0	108.7	R23	E15-R23 IonicContact OE1-CZ 3.84Å; E15-R23 VanDerWaalsContact OE1-CZ 3.3Å; E15-R23 IonicContact OE1-NH1 2.84Å; E15-R23 PolarHBondContact OE1-NH1 3.47Å; E15-R23 IonicContact OE1-NH2 2.86Å; E15-R23 PolarHBondContact OE1-NH2 3.19Å; E15-R23 IonicContact OE2-NH1 3.18Å; E15-R23 PolarHBondContact OE2-NH1 3.11Å
16	S	48.5	Very low	40.3	Very low	41 Å²	41	120.6 Å²	120.6	29%	0.287	58%	0.583	S	S	.	*			trans	-59.2	139.5	174.4	166.2	0	0	0	0	109.4	G14 L18 S19 E263	G14-S16 PolarHBondContact O-N 2.96Å; G14-S16 VanDerWaalsContact O-N 3.08Å; S16-L18 PolarHBondContact O-N 3.22Å; S16-L18 VanDerWaalsContact O-N 3.15Å; S16-L18 VanDerWaalsContact OG-CB 3.29Å; S16-L18 WeakPolarHBondContact OG-CB 3.42Å; S16-L18 VanDerWaalsContact OG-CD1 3.25Å; S16-L18 WeakPolarHBondContact OG-CD1 3.46Å; S16-L18 WeakPolarHBondContact OG-CG 3.3Å; S16-L18 PolarHBondContact OG-N 3.19Å; S16-L18 VanDerWaalsContact OG-N 3.16Å; S16-S19 WeakPolarHBondContact O-CA 3.22Å; S16-S19 WeakPolarHBondContact O-CB 3.37Å; S16-S19 PolarHBondContact O-N 2.67Å; S16-S19 PolarHBondContact O-OG 3.27Å; S16-E263 WeakPolarHBondContact CB-OE1 3.27Å; S16-E263 PolarHBondContact OG-OE1 3.24Å
17	I	57.6	Low	39.8	Very low	17 Å²	17	119.3 Å²	119.3	9%	0.087	57%	0.574	C	S	.	*	H	α-helix	trans	-66	-16.9	176.4	-163.7	162.7	0	0	0	112.7	S19 Y20 F21 L258 E263 E291	I17-S19 PolarHBondContact O-N 3.11Å; I17-S19 VanDerWaalsContact O-N 3.11Å; I17-Y20 HydrophobicContact CG1-CD2 4.17Å; I17-Y20 HydrophobicContact CG1-CG 4.19Å; I17-Y20 WeakPolarHBondContact O-CA 3.27Å; I17-Y20 WeakPolarHBondContact O-CB 3.48Å; I17-Y20 PolarHBondContact O-N 3.29Å; I17-F21 HydrophobicContact CG2-CE2 4.29Å; I17-F21 PolarHBondContact O-N 2.78Å; I17-L258 HydrophobicContact CD1-CD2 4.19Å; I17-E263 PolarHBondContact N-OE1 2.9Å; I17-E291 WeakPolarHBondContact CD1-OE1 3.05Å; I17-E291 WeakPolarHBondContact CD1-OE2 3.17Å
18	L	50.1	Low	39.4	Very low	13 Å²	13	119 Å²	119	7%	0.068	57%	0.572	C	S	.	*	H	α-helix	trans	-58.1	-26	168.9	-58.5	151.2	0	0	0	110.7	S16 F21 I22 V222 I225 H226 L229 E263	S16-L18 PolarHBondContact O-N 3.22Å; S16-L18 VanDerWaalsContact O-N 3.15Å; S16-L18 VanDerWaalsContact OG-CB 3.29Å; S16-L18 WeakPolarHBondContact OG-CB 3.42Å; S16-L18 VanDerWaalsContact OG-CD1 3.25Å; S16-L18 WeakPolarHBondContact OG-CD1 3.46Å; S16-L18 WeakPolarHBondContact OG-CG 3.3Å; S16-L18 PolarHBondContact OG-N 3.19Å; S16-L18 VanDerWaalsContact OG-N 3.16Å; L18-F21 HydrophobicContact CD2-CD2 4.16Å; L18-F21 HydrophobicContact CD2-CE2 4.28Å; L18-I22 WeakPolarHBondContact O-CG1 3.32Å; L18-V222 HydrophobicContact CB-CG1 4.06Å; L18-V222 HydrophobicContact CD2-CG1 3.92Å; L18-I225 HydrophobicContact CD2-CB 4.31Å; L18-I225 HydrophobicContact CD2-CG2 3.84Å; L18-H226 VanDerWaalsContact CB-NE2 3.27Å; L18-H226 WeakPolarHBondContact CB-NE2 3.29Å; L18-H226 WeakPolarHBondContact CD1-CD2 3.45Å; L18-H226 WeakPolarHBondContact CD1-NE2 3.22Å; L18-H226 WeakPolarHBondContact CD2-CD2 3.25Å; L18-H226 WeakPolarHBondContact CD2-NE2 3.42Å; L18-H226 VanDerWaalsContact CG-NE2 3.25Å; L18-H226 WeakPolarHBondContact CG-NE2 3.41Å; L18-L229 HydrophobicContact CD1-CD1 4Å; L18-E263 HydrophobicContact CD1-CG 3.98Å
19	S	52.9	Low	39.1	Very low	26 Å²	26	112.2 Å²	112.2	18%	0.182	57%	0.568	C	S	.	*	H	α-helix	trans	-75.1	-30.5	168.3	79.4	0	0	0	0	114.2	S16 I17 I22 R23	S16-S19 WeakPolarHBondContact O-CA 3.22Å; S16-S19 WeakPolarHBondContact O-CB 3.37Å; S16-S19 PolarHBondContact O-N 2.67Å; S16-S19 PolarHBondContact O-OG 3.27Å; I17-S19 PolarHBondContact O-N 3.11Å; I17-S19 VanDerWaalsContact O-N 3.11Å; S19-I22 CarbonylContact O-C 3.49Å; S19-I22 WeakPolarHBondContact O-CA 3.36Å; S19-I22 WeakPolarHBondContact O-CB 3.31Å; S19-I22 PolarHBondContact O-N 3.38Å; S19-I22 VanDerWaalsContact O-N 3.09Å; S19-R23 VanDerWaalsContact O-CB 3.24Å; S19-R23 WeakPolarHBondContact O-CB 3.47Å; S19-R23 VanDerWaalsContact O-CG 3.23Å; S19-R23 WeakPolarHBondContact O-CG 3.49Å; S19-R23 PolarHBondContact O-N 3.24Å
20	Y	47.7	Very low	38.8	Very low	132 Å²	132	108.3 Å²	108.3	52%	0.518	57%	0.566	S	S	.	*	H	α-helix	trans	-67.5	-36.8	172.4	-85.8	-95.5	0	0	0	111.6	I17 I22 R23 D24	I17-Y20 HydrophobicContact CG1-CD2 4.17Å; I17-Y20 HydrophobicContact CG1-CG 4.19Å; I17-Y20 WeakPolarHBondContact O-CA 3.27Å; I17-Y20 WeakPolarHBondContact O-CB 3.48Å; I17-Y20 PolarHBondContact O-N 3.29Å; Y20-I22 PolarHBondContact O-N 3.08Å; Y20-R23 CarbonylContact O-C 3.6Å; Y20-R23 PolarHBondContact O-N 3.43Å; Y20-D24 PolarHBondContact O-N 3.45Å
21	F	52.3	Low	38.2	Very low	51 Å²	51	103.1 Å²	103.1	22%	0.224	56%	0.562	C	S	.	*	H	α-helix	trans	-62.8	-21.5	171	-60.7	-49.3	0	0	0	112.6	I17 L18 V222 I225 R255	I17-F21 HydrophobicContact CG2-CE2 4.29Å; I17-F21 PolarHBondContact O-N 2.78Å; L18-F21 HydrophobicContact CD2-CD2 4.16Å; L18-F21 HydrophobicContact CD2-CE2 4.28Å; F21-V222 HydrophobicContact CB-CG2 3.42Å; F21-V222 VanDerWaalsContact CB-CG2 3.42Å; F21-V222 HydrophobicContact CD2-CG2 4.09Å; F21-V222 HydrophobicContact CG-CG2 4.1Å; F21-I225 HydrophobicContact CE2-CD1 4.32Å; F21-R255 HydrophobicContact CE1-CB 4.39Å; F21-R255 HydrophobicContact CE1-CG 4.03Å; F21-R255 HydrophobicContact CZ-CB 4.38Å; F21-R255 HydrophobicContact CZ-CG 4.46Å
22	I	50.2	Low	38	Very low	130 Å²	130	109.4 Å²	109.4	67%	0.667	58%	0.575	S	S	*	*	H	α-helix	trans	-87.5	-28.7	171.2	-59.9	167.8	0	0	0	111.2	L18 S19 Y20	L18-I22 WeakPolarHBondContact O-CG1 3.32Å; S19-I22 CarbonylContact O-C 3.49Å; S19-I22 WeakPolarHBondContact O-CA 3.36Å; S19-I22 WeakPolarHBondContact O-CB 3.31Å; S19-I22 PolarHBondContact O-N 3.38Å; S19-I22 VanDerWaalsContact O-N 3.09Å; Y20-I22 PolarHBondContact O-N 3.08Å
23	R	39	Very low	37.4	Very low	130 Å²	130	104.8 Å²	104.8	49%	0.491	57%	0.569	S	S	.	*	H	α-helix	trans	-103.2	1.4	-167.4	-74.6	179.7	-179	-177.5	7.5	115.8	E15 S19 Y20 T25	E15-R23 IonicContact OE1-CZ 3.84Å; E15-R23 VanDerWaalsContact OE1-CZ 3.3Å; E15-R23 IonicContact OE1-NH1 2.84Å; E15-R23 PolarHBondContact OE1-NH1 3.47Å; E15-R23 IonicContact OE1-NH2 2.86Å; E15-R23 PolarHBondContact OE1-NH2 3.19Å; E15-R23 IonicContact OE2-NH1 3.18Å; E15-R23 PolarHBondContact OE2-NH1 3.11Å; S19-R23 VanDerWaalsContact O-CB 3.24Å; S19-R23 WeakPolarHBondContact O-CB 3.47Å; S19-R23 VanDerWaalsContact O-CG 3.23Å; S19-R23 WeakPolarHBondContact O-CG 3.49Å; S19-R23 PolarHBondContact O-N 3.24Å; Y20-R23 CarbonylContact O-C 3.6Å; Y20-R23 PolarHBondContact O-N 3.43Å; R23-T25 PolarHBondContact O-N 3.47Å; R23-T25 PolarHBondContact O-OG1 2.91Å
24	D	38	Very low	36.9	Very low	101 Å²	101	106.9 Å²	106.9	54%	0.54	57%	0.566	S	S	.	*			trans	-58.8	79.2	172.1	-100.4	-13.8	0	0	0	110.8	Y20	Y20-D24 PolarHBondContact O-N 3.45Å
25	T	36.7	Very low	36.8	Very low	87 Å²	87	112.1 Å²	112.1	53%	0.534	59%	0.586	S	S	.	*			trans	-147.3	1.8	-175.3	50.8	0	0	0	0	112.1	R23	R23-T25 PolarHBondContact O-N 3.47Å; R23-T25 PolarHBondContact O-OG1 2.91Å
26	K	28.5	Very low	36.1	Very low	200 Å²	200	112.3 Å²	112.3	87%	0.87	60%	0.597	S	S	*	*			trans	-147.3	79.8	177.2	-65.8	-168.9	-178	-178.3	0	112.2
27	Y	24.8	Very low	34.9	Very low	180 Å²	180	115.9 Å²	115.9	71%	0.706	62%	0.62	S	S	*	*			trans	-90	129.9	167.6	-143	-94.4	0	0	0	109.8
28	K	28.5	Very low	33.3	Very low	196 Å²	196	122.3 Å²	122.3	85%	0.852	66%	0.655	S	S	*	*			trans	-112	124.2	164.7	-83.2	-169.9	175.2	-176.2	0	107.8
29	A	25.1	Very low	32.1	Very low	98 Å²	98	129.3 Å²	129.3	81%	0.81	69%	0.691	S	S	*	*			trans	-73.1	135.9	176.3	0	0	0	0	0	110.9
30	S	27.7	Very low	30.8	Very low	123 Å²	123	133.4 Å²	133.4	86%	0.86	72%	0.717	S	S	*	*			trans	-139.8	128.5	157.9	58.1	0	0	0	0	109.2
31	A	23.2	Very low	29.7	Very low	101 Å²	101	132.8 Å²	132.8	84%	0.835	73%	0.727	S	S	*	*			trans	-93.4	132.8	-175.6	0	0	0	0	0	110.2
32	E	25.6	Very low	28.5	Very low	197 Å²	197	135.9 Å²	135.9	92%	0.921	76%	0.755	S	S	*	*			trans	-142.8	152.8	164.8	-81.9	-172.9	175	0	0	111.4
33	T	22.5	Very low	27.3	Very low	124 Å²	124	137.1 Å²	137.1	76%	0.761	76%	0.762	S	S	*	*			trans	-109.5	150	-152.2	32.9	0	0	0	0	114.3
34	L	23.9	Very low	26.7	Very low	147 Å²	147	136.8 Å²	136.8	77%	0.77	78%	0.776	S	S	*	*			trans	74.1	116.8	143.9	-65.7	159.3	0	0	0	120.7
35	N	29	Very low	26.1	Very low	146 Å²	146	138.1 Å²	138.1	78%	0.781	79%	0.788	S	S	*	*				160.1	148.8	92.6	-100.1	-18.7	0	0	0	112.4
36	P	26.9	Very low	25.7	Very low	119 Å²	119	139.2 Å²	139.2	77%	0.773	80%	0.8	S	S	*	*			trans	-100.9	149.1	-167.1	37.4	-29.4	0	0	0	113.8
37	C	22.9	Very low	25.6	Very low	115 Å²	115	139.4 Å²	139.4	78%	0.777	80%	0.8	S	S	*	*			trans	-151.7	122.5	170.5	-146.9	0	0	0	0	114.2
38	N	24.7	Very low	25.9	Very low	153 Å²	153	136.2 Å²	136.2	82%	0.818	80%	0.804	S	S	*	*			trans	56.6	122.6	148.2	-65.1	-20.6	0	0	0	123.3
39	I	23.9	Very low	26	Very low	159 Å²	159	134.1 Å²	134.1	82%	0.815	80%	0.802	S	S	*	*			trans	-96.5	143.6	175.1	-61.6	164.9	0	0	0	109.6
40	P	25.9	Very low	26.8	Very low	113 Å²	113	134.8 Å²	134.8	73%	0.734	80%	0.798	S	S	*	*			trans	-137	120.4	134.6	20.1	1.1	0	0	0	114.5
41	T	24.6	Very low	27.5	Very low	118 Å²	118	136 Å²	136	72%	0.724	80%	0.795	S	S	*	*			trans	42.6	125.1	131.5	48.5	0	0	0	0	124.1
42	S	26.5	Very low	28.5	Very low	117 Å²	117	140.4 Å²	140.4	82%	0.818	80%	0.798	S	S	*	*			trans	89.5	112	139.9	74.9	0	0	0	0	119.3
43	L	25.4	Very low	29.8	Very low	156 Å²	156	139 Å²	139	82%	0.817	79%	0.788	S	S	*	*			trans	-119.9	147.9	167	-82.6	164.5	0	0	0	109.3
44	P	26.6	Very low	31.4	Very low	122 Å²	122	138.8 Å²	138.8	79%	0.792	79%	0.788	S	S	*	*			trans	-79.2	134.4	-173.6	-4.4	22.4	0	0	0	112	S46	P44-S46 PolarHBondContact O-N 3.02Å
45	V	25.8	Very low	33.2	Very low	129 Å²	129	137.1 Å²	137.1	78%	0.782	79%	0.785	S	S	*	*			trans	-77.9	113.2	175	177	0	0	0	0	109.4
46	S	28.6	Very low	35.5	Very low	111 Å²	111	139.2 Å²	139.2	78%	0.776	78%	0.782	S	S	*	*			trans	-88.8	115.4	163.8	54.9	0	0	0	0	109.6	P44	P44-S46 PolarHBondContact O-N 3.02Å
47	K	25.9	Very low	38.5	Very low	204 Å²	204	142.8 Å²	142.8	89%	0.887	79%	0.786	S	S	*	*			trans	-78	113.8	171.8	-68.1	179.2	177.6	179.6	0	108.3
48	S	30.4	Very low	41.8	Very low	112 Å²	112	137.8 Å²	137.8	78%	0.783	75%	0.752	S	S	*	*			trans	-123.2	140.6	163.6	62.5	0	0	0	0	110.4
49	N	31.2	Very low	45	Very low	153 Å²	153	131.7 Å²	131.7	82%	0.818	72%	0.721	S	S	*	*			trans	-66.2	129.5	-167.2	-125.5	-9.7	0	0	0	112	L51	N49-L51 PolarHBondContact O-N 3.1Å; N49-L51 VanDerWaalsContact O-N 3.07Å
50	P	40.6	Very low	48.3	Very low	112 Å²	112	130.8 Å²	130.8	73%	0.727	71%	0.711	S	S	*	*			trans	-82.1	86.4	175.4	30.4	-25	0	0	0	109.3	E52	P50-E52 PolarHBondContact O-N 2.71Å
51	L	42.6	Very low	51.4	Low	149 Å²	149	127.7 Å²	127.7	78%	0.78	69%	0.685	S	S	*	*			trans	-63.4	113.7	152	-83.2	156.2	0	0	0	105.9	N49 K53	N49-L51 PolarHBondContact O-N 3.1Å; N49-L51 VanDerWaalsContact O-N 3.07Å; L51-K53 PolarHBondContact O-N 3.36Å
52	E	44.1	Very low	54.8	Low	193 Å²	193	123.9 Å²	123.9	90%	0.902	66%	0.659	S	S	*	*			trans	-54.3	76.9	175.4	-70.5	178.8	158.6	0	0	110.5	P50 T54	P50-E52 PolarHBondContact O-N 2.71Å; E52-T54 PolarHBondContact O-N 3.36Å
53	K	53.7	Low	58.2	Low	166 Å²	166	121 Å²	121	72%	0.722	63%	0.63	S	S	*	*			trans	-72.3	113.8	166.9	-71.7	-176.6	-178.6	177.1	0	105	L51 P55	L51-K53 PolarHBondContact O-N 3.36Å; K53-P55 VanDerWaalsContact O-N 3.13Å
54	T	55.3	Low	61.7	Low	121 Å²	121	113.6 Å²	113.6	74%	0.742	59%	0.591	S	S	*	*			trans	-41.6	124.5	164.6	51.9	0	0	0	0	108	E52 R56	E52-T54 PolarHBondContact O-N 3.36Å; T54-R56 PolarHBondContact O-N 2.89Å; T54-R56 VanDerWaalsContact O-N 3.11Å
55	P	62.9	Low	65.1	Low	111 Å²	111	110 Å²	110	72%	0.721	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-54.6	125.5	-175.9	17.9	-28.9	0	0	0	108.6	K53 K57	K53-P55 VanDerWaalsContact O-N 3.13Å; P55-K57 PolarHBondContact O-N 2.9Å
56	R	77.7	Confident	68.4	Low	191 Å²	191	107.1 Å²	107.1	72%	0.721	55%	0.548	S	S	*	.	P	Polyproline II helix	trans	-60.5	129.2	179.6	-72	179.4	176.5	-175.9	-4	107.7	T54 C58 Y76	T54-R56 PolarHBondContact O-N 2.89Å; T54-R56 VanDerWaalsContact O-N 3.11Å; R56-C58 PolarHBondContact O-N 2.86Å; R56-Y76 HydrophobicContact CB-CD1 3.87Å; R56-Y76 HydrophobicContact CB-CE1 3.94Å; R56-Y76 VanDerWaalsContact O-CD1 3.31Å; R56-Y76 WeakPolarHBondContact O-CD1 3.45Å
57	K	88.6	Confident	71.6	Confident	193 Å²	193	103 Å²	103	84%	0.839	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-59.4	128.2	173.5	-174.9	176	-179.6	177.3	0	109.1	P55	P55-K57 PolarHBondContact O-N 2.9Å
58	C	93.4	Very high	75	Confident	11 Å²	11	95 Å²	95	7%	0.074	49%	0.488	C	S	.	.	P	Polyproline II helix	trans	-59.4	123.5	175.3	-178.5	0	0	0	0	109.5	R56 Y76 I79	R56-C58 PolarHBondContact O-N 2.86Å; C58-Y76 HydrophobicContact CB-CD2 4.18Å; C58-Y76 HydrophobicContact CB-CG 4.06Å; C58-I79 HydrophobicContact CB-CD1 3.9Å; C58-I79 HydrophobicContact CB-CG1 4.16Å; C58-I79 HydrophobicContact CB-CG2 3.74Å
59	P	92.2	Very high	78.2	Confident	25 Å²	25	89.8 Å²	89.8	16%	0.162	45%	0.451	C	S	.	.	P	Polyproline II helix	trans	-71.7	150.7	-175.2	29.8	-35.7	0	0	0	111.6	Y61 K62 Y76	P59-Y61 HydrophobicContact CB-CD1 3.91Å; P59-Y61 HydrophobicContact CB-CE1 3.42Å; P59-Y61 VanDerWaalsContact CB-CE1 3.42Å; P59-Y61 HydrophobicContact CB-CE2 4.13Å; P59-Y61 HydrophobicContact CB-CG 4.47Å; P59-Y61 HydrophobicContact CG-CD1 4.45Å; P59-Y61 HydrophobicContact CG-CD2 4.27Å; P59-Y61 HydrophobicContact CG-CE1 3.88Å; P59-Y61 HydrophobicContact CG-CE2 3.65Å; P59-Y61 VanDerWaalsContact CG-CZ 3.43Å; P59-Y61 PolarHBondContact O-N 3.33Å; P59-Y61 VanDerWaalsContact O-N 3.1Å; P59-K62 HydrophobicContact CG-CB 4.36Å; P59-K62 HydrophobicContact CG-CG 3.79Å; P59-K62 WeakPolarHBondContact O-CB 3.37Å; P59-K62 PolarHBondContact O-N 3.05Å; P59-Y76 WeakPolarHBondContact CD-OH 3.37Å; P59-Y76 HydrophobicContact CG-CE2 4.25Å
60	F	92.3	Very high	81.4	Confident	140 Å²	140	82.5 Å²	82.5	61%	0.614	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-56.5	-33.6	-173	78.1	-88.2	0	0	0	113.9	K62 W63	F60-K62 PolarHBondContact O-N 2.83Å; F60-W63 WeakPolarHBondContact O-CB 3.35Å; F60-W63 PolarHBondContact O-N 3.02Å; F60-W63 VanDerWaalsContact O-N 3.11Å
61	Y	91.4	Very high	84.2	Confident	48 Å²	48	77.2 Å²	77.2	19%	0.188	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-74.2	-6.6	-177.9	56.6	-102.9	0	0	0	114.1	P59 F415	P59-Y61 HydrophobicContact CB-CD1 3.91Å; P59-Y61 HydrophobicContact CB-CE1 3.42Å; P59-Y61 VanDerWaalsContact CB-CE1 3.42Å; P59-Y61 HydrophobicContact CB-CE2 4.13Å; P59-Y61 HydrophobicContact CB-CG 4.47Å; P59-Y61 HydrophobicContact CG-CD1 4.45Å; P59-Y61 HydrophobicContact CG-CD2 4.27Å; P59-Y61 HydrophobicContact CG-CE1 3.88Å; P59-Y61 HydrophobicContact CG-CE2 3.65Å; P59-Y61 VanDerWaalsContact CG-CZ 3.43Å; P59-Y61 PolarHBondContact O-N 3.33Å; P59-Y61 VanDerWaalsContact O-N 3.1Å; Y61-F415 AromaticContact CD1-CE1 3.81Å; Y61-F415 HydrophobicContact CD1-CE1 3.81Å; Y61-F415 AromaticContact CD1-CE2 3.62Å; Y61-F415 HydrophobicContact CD1-CE2 3.62Å; Y61-F415 AromaticContact CD1-CZ 3.16Å; Y61-F415 HydrophobicContact CD1-CZ 3.16Å; Y61-F415 HydrophobicContact CD2-CD2 4.22Å; Y61-F415 AromaticContact CD2-CE2 3.3Å; Y61-F415 HydrophobicContact CD2-CE2 3.3Å; Y61-F415 AromaticContact CD2-CZ 3.73Å; Y61-F415 HydrophobicContact CD2-CZ 3.73Å; Y61-F415 HydrophobicContact CE1-CD1 4.3Å; Y61-F415 HydrophobicContact CE1-CD2 4.13Å; Y61-F415 AromaticContact CE1-CE1 3.75Å; Y61-F415 HydrophobicContact CE1-CE1 3.75Å; Y61-F415 AromaticContact CE1-CE2 3.6Å; Y61-F415 HydrophobicContact CE1-CE2 3.6Å; Y61-F415 HydrophobicContact CE1-CG 4.48Å; Y61-F415 AromaticContact CE1-CZ 3.39Å; Y61-F415 HydrophobicContact CE1-CZ 3.39Å; Y61-F415 AromaticContact CE2-CD2 3.76Å; Y61-F415 HydrophobicContact CE2-CD2 3.76Å; Y61-F415 AromaticContact CE2-CE2 3.29Å; Y61-F415 HydrophobicContact CE2-CE2 3.29Å; Y61-F415 AromaticContact CE2-CZ 3.95Å; Y61-F415 HydrophobicContact CE2-CZ 3.95Å; Y61-F415 HydrophobicContact CG-CE1 4.39Å; Y61-F415 AromaticContact CG-CE2 3.46Å; Y61-F415 HydrophobicContact CG-CE2 3.46Å; Y61-F415 VanDerWaalsContact CG-CE2 3.46Å; Y61-F415 AromaticContact CG-CZ 3.33Å; Y61-F415 HydrophobicContact CG-CZ 3.33Å; Y61-F415 AromaticContact CZ-CD2 3.7Å; Y61-F415 AromaticContact CZ-CE2 3.44Å; Y61-F415 VanDerWaalsContact CZ-CE2 3.44Å; Y61-F415 AromaticContact CZ-CZ 3.78Å
62	K	95.9	Very high	86.8	Confident	38 Å²	38	70.3 Å²	70.3	17%	0.165	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-89.9	-10.9	170.8	-71.9	-75	176.8	175.5	0	112.6	P59 F60 T70 V71 D72 A73 Y76	P59-K62 HydrophobicContact CG-CB 4.36Å; P59-K62 HydrophobicContact CG-CG 3.79Å; P59-K62 WeakPolarHBondContact O-CB 3.37Å; P59-K62 PolarHBondContact O-N 3.05Å; F60-K62 PolarHBondContact O-N 2.83Å; K62-T70 CarbonylContact O-C 3.57Å; K62-T70 WeakPolarHBondContact O-CA 3.25Å; K62-T70 WeakPolarHBondContact O-CB 3.49Å; K62-V71 WeakPolarHBondContact CD-O 3.28Å; K62-V71 PolarHBondContact O-N 3.07Å; K62-D72 WeakPolarHBondContact CE-O 3.48Å; K62-D72 PolarHBondContact NZ-O 3.31Å; K62-A73 HydrophobicContact CB-CB 4.12Å; K62-A73 HydrophobicContact CD-CB 4.36Å; K62-A73 HydrophobicContact CG-CB 4.49Å; K62-Y76 HydrophobicContact CG-CE2 4.38Å
63	W	97.9	Very high	89.3	Confident	55 Å²	55	61.2 Å²	61.2	21%	0.208	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-93.9	140.1	176.6	-68	86.4	0	0	0	110.9	F60 T70 I79 C82	F60-W63 WeakPolarHBondContact O-CB 3.35Å; F60-W63 PolarHBondContact O-N 3.02Å; F60-W63 VanDerWaalsContact O-N 3.11Å; W63-T70 HydrophobicContact CD2-CG2 3.52Å; W63-T70 HydrophobicContact CE3-CG2 3.6Å; W63-T70 HydrophobicContact CG-CG2 4.03Å; W63-T70 HydrophobicContact CH2-CG2 4.27Å; W63-T70 HydrophobicContact CZ2-CG2 4.2Å; W63-T70 HydrophobicContact CZ3-CG2 3.97Å; W63-I79 HydrophobicContact CH2-CG2 3.78Å; W63-I79 HydrophobicContact CZ2-CG2 3.25Å; W63-C82 HydrophobicContact CH2-CB 3.69Å; W63-C82 HydrophobicContact CZ3-CB 3.97Å
64	I	98.2	Very high	91.3	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.01	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-81.2	123.6	165	-55.8	-56.3	0	0	0	108	T67 I69 V71 F158 Y167 H169 F206	I64-T67 HydrophobicContact CB-CG2 4.35Å; I64-T67 WeakPolarHBondContact CB-OG1 3.47Å; I64-T67 HydrophobicContact CG2-CG2 3.94Å; I64-T67 PolarHBondContact O-N 2.99Å; I64-T67 PolarHBondContact O-OG1 3.13Å; I64-I69 HydrophobicContact CB-CB 4.42Å; I64-I69 HydrophobicContact CG1-CB 4.44Å; I64-I69 HydrophobicContact CG1-CG2 4.07Å; I64-I69 PolarHBondContact N-O 3.25Å; I64-V71 HydrophobicContact CD1-CG2 3.88Å; I64-V71 HydrophobicContact CG1-CG2 4.03Å; I64-F158 HydrophobicContact CD1-CD2 3.83Å; I64-F158 HydrophobicContact CD1-CE2 3.61Å; I64-F158 HydrophobicContact CD1-CZ 4.34Å; I64-F158 HydrophobicContact CG1-CD2 3.84Å; I64-F158 HydrophobicContact CG1-CE1 4.39Å; I64-F158 HydrophobicContact CG1-CE2 3.66Å; I64-F158 HydrophobicContact CG1-CG 4.27Å; I64-F158 HydrophobicContact CG1-CZ 3.97Å; I64-F158 HydrophobicContact CG2-CB 3.99Å; I64-F158 HydrophobicContact CG2-CD2 4.05Å; I64-F158 HydrophobicContact CG2-CG 3.97Å; I64-Y167 HydrophobicContact CG2-CD2 3.78Å; I64-Y167 HydrophobicContact CG2-CG 4.09Å; I64-H169 HydrophobicContact CD1-CB 4.39Å; I64-F206 HydrophobicContact CD1-CD2 4.25Å; I64-F206 HydrophobicContact CD1-CE2 4.13Å
65	P	97.6	Very high	93.1	Very high	46 Å²	46	50.7 Å²	50.7	30%	0.299	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	145.9	-173	-22	32.9	0	0	0	112	T67 Y167 F206	P65-T67 WeakPolarHBondContact O-CG2 3.38Å; P65-T67 PolarHBondContact O-N 3.25Å; P65-Y167 HydrophobicContact CB-CE1 4.01Å; P65-Y167 HydrophobicContact CB-CE2 4.39Å; P65-Y167 HydrophobicContact CG-CD1 4.27Å; P65-Y167 HydrophobicContact CG-CE1 3.84Å; P65-Y167 VanDerWaalsContact O-CE2 3.25Å; P65-Y167 WeakPolarHBondContact O-CE2 3.47Å; P65-F206 HydrophobicContact CG-CZ 4.03Å
66	D	95.6	Very high	94.5	Very high	68 Å²	68	47.3 Å²	47.3	36%	0.364	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.8	20.6	-178.6	-50	-69.9	0	0	0	114.5	V160 K163 R165 Y167	D66-V160 HydrophobicContact CB-CG1 4.3Å; D66-K163 HydrophobicContact CB-CG 3.84Å; D66-K163 WeakPolarHBondContact OD1-CE 3.49Å; D66-R165 IonicContact OD2-NH1 3.73Å; D66-Y167 PolarHBondContact OD2-OH 3.1Å
67	T	97.3	Very high	94.8	Very high	25 Å²	25	40.8 Å²	40.8	15%	0.153	21%	0.211	C	C	.	.	S	Bend	trans	-135.3	168	179.5	79	0	0	0	0	112.2	I64 P65 I69 V140 V160	I64-T67 HydrophobicContact CB-CG2 4.35Å; I64-T67 WeakPolarHBondContact CB-OG1 3.47Å; I64-T67 HydrophobicContact CG2-CG2 3.94Å; I64-T67 PolarHBondContact O-N 2.99Å; I64-T67 PolarHBondContact O-OG1 3.13Å; P65-T67 WeakPolarHBondContact O-CG2 3.38Å; P65-T67 PolarHBondContact O-N 3.25Å; T67-I69 VanDerWaalsContact C-N 3.31Å; T67-I69 WeakPolarHBondContact OG1-CB 3.45Å; T67-I69 PolarHBondContact OG1-N 2.99Å; T67-I69 VanDerWaalsContact OG1-N 3.1Å; T67-V140 HydrophobicContact CG2-CG1 4.45Å; T67-V140 HydrophobicContact CG2-CG2 3.54Å; T67-V160 HydrophobicContact CG2-CG2 3.64Å
68	S	96.3	Very high	94.6	Very high	36 Å²	36	39.5 Å²	39.5	25%	0.252	21%	0.208	S	C	.	.	S	Bend	trans	-96.1	27.5	167.3	53.3	0	0	0	0	112.4	G81 C82 T83 C84	S68-G81 VanDerWaalsContact CB-O 3.22Å; S68-G81 WeakPolarHBondContact CB-O 3.43Å; S68-C82 WeakPolarHBondContact O-CA 3.36Å; S68-T83 WeakPolarHBondContact CB-OG1 3.11Å; S68-T83 PolarHBondContact O-N 3.13Å; S68-T83 PolarHBondContact O-OG1 2.83Å; S68-T83 PolarHBondContact OG-OG1 2.99Å; S68-C84 PolarHBondContact O-N 3.09Å
69	I	98.3	Very high	94.5	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.01	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	136.1	-174.8	-62.3	173.3	0	0	0	110.5	I64 T67 C84 F86 V140 F158	I64-I69 HydrophobicContact CB-CB 4.42Å; I64-I69 HydrophobicContact CG1-CB 4.44Å; I64-I69 HydrophobicContact CG1-CG2 4.07Å; I64-I69 PolarHBondContact N-O 3.25Å; T67-I69 VanDerWaalsContact C-N 3.31Å; T67-I69 WeakPolarHBondContact OG1-CB 3.45Å; T67-I69 PolarHBondContact OG1-N 2.99Å; T67-I69 VanDerWaalsContact OG1-N 3.1Å; I69-C84 HydrophobicContact CG1-CB 4.2Å; I69-F86 HydrophobicContact CB-CE2 4.43Å; I69-F86 HydrophobicContact CD1-CE2 4.04Å; I69-F86 HydrophobicContact CD1-CZ 4.37Å; I69-F86 HydrophobicContact CG1-CE2 4.14Å; I69-F86 HydrophobicContact CG2-CD2 3.34Å; I69-F86 HydrophobicContact CG2-CE2 3.48Å; I69-F86 VanDerWaalsContact CG2-CE2 3.48Å; I69-F86 HydrophobicContact CG2-CG 4.19Å; I69-F86 HydrophobicContact CG2-CZ 4.41Å; I69-V140 HydrophobicContact CD1-CB 4.08Å; I69-V140 HydrophobicContact CD1-CG1 4.16Å; I69-V140 HydrophobicContact CD1-CG2 3.98Å; I69-F158 HydrophobicContact CD1-CD1 4.02Å; I69-F158 HydrophobicContact CD1-CE1 4.08Å; I69-F158 HydrophobicContact CG2-CE1 3.88Å; I69-F158 HydrophobicContact CG2-CZ 4.22Å
70	T	98.3	Very high	94.5	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.006	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	152	166.9	60.5	0	0	0	0	111.8	K62 W63 A73 I79 C82 C84 F86	K62-T70 CarbonylContact O-C 3.57Å; K62-T70 WeakPolarHBondContact O-CA 3.25Å; K62-T70 WeakPolarHBondContact O-CB 3.49Å; W63-T70 HydrophobicContact CD2-CG2 3.52Å; W63-T70 HydrophobicContact CE3-CG2 3.6Å; W63-T70 HydrophobicContact CG-CG2 4.03Å; W63-T70 HydrophobicContact CH2-CG2 4.27Å; W63-T70 HydrophobicContact CZ2-CG2 4.2Å; W63-T70 HydrophobicContact CZ3-CG2 3.97Å; T70-A73 HydrophobicContact CG2-CB 4.34Å; T70-I79 HydrophobicContact CG2-CD1 4.14Å; T70-C82 HydrophobicContact CG2-CB 4.36Å; T70-C82 PolarHBondContact OG1-SG 2.92Å; T70-C84 PolarHBondContact N-O 3.11Å; T70-F86 PolarHBondContact O-N 3.45Å
71	V	98.7	Very high	94.5	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	128.2	176.1	-171.8	0	0	0	0	109.6	K62 I64 A73 F86 F156 F158 H169	K62-V71 WeakPolarHBondContact CD-O 3.28Å; K62-V71 PolarHBondContact O-N 3.07Å; I64-V71 HydrophobicContact CD1-CG2 3.88Å; I64-V71 HydrophobicContact CG1-CG2 4.03Å; V71-A73 VanDerWaalsContact C-N 3.27Å; V71-A73 PolarHBondContact O-N 3.17Å; V71-F86 CarbonylContact C-O 3.57Å; V71-F86 WeakPolarHBondContact CA-O 3.41Å; V71-F86 HydrophobicContact CB-CB 4.44Å; V71-F86 HydrophobicContact CG1-CB 4.34Å; V71-F86 HydrophobicContact CG2-CB 4.06Å; V71-F156 HydrophobicContact CG1-CD2 4.12Å; V71-F156 HydrophobicContact CG1-CE2 4.02Å; V71-F158 HydrophobicContact CG2-CE2 4.14Å; V71-F158 HydrophobicContact CG2-CZ 3.96Å; V71-H169 HydrophobicContact CG2-CB 4.47Å
72	D	97.9	Very high	94.6	Very high	5 Å²	5	38.6 Å²	38.6	3%	0.027	23%	0.233	C	C	.	.	S	Bend	trans	52.7	41.5	177.1	-55	-32.4	0	0	0	113.2	K62 F86 L87 S88 H94	K62-D72 WeakPolarHBondContact CE-O 3.48Å; K62-D72 PolarHBondContact NZ-O 3.31Å; D72-F86 PolarHBondContact N-O 3.03Å; D72-L87 WeakPolarHBondContact OD1-CA 3.12Å; D72-S88 VanDerWaalsContact CG-OG 3.25Å; D72-S88 PolarHBondContact OD1-N 3.49Å; D72-S88 PolarHBondContact OD1-OG 3.24Å; D72-S88 VanDerWaalsContact OD2-CB 3.3Å; D72-S88 WeakPolarHBondContact OD2-CB 3.28Å; D72-S88 PolarHBondContact OD2-OG 2.84Å; D72-H94 HydrophobicContact CB-CB 4.06Å; D72-H94 IonicContact OD2-ND1 2.71Å; D72-H94 PolarHBondContact OD2-ND1 2.78Å
73	A	96.5	Very high	94.4	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.008	25%	0.248	C	C	.	.			trans	-108.8	15.1	-172.8	0	0	0	0	0	113.9	K62 T70 V71 C75 Y76 I79	K62-A73 HydrophobicContact CB-CB 4.12Å; K62-A73 HydrophobicContact CD-CB 4.36Å; K62-A73 HydrophobicContact CG-CB 4.49Å; T70-A73 HydrophobicContact CG2-CB 4.34Å; V71-A73 VanDerWaalsContact C-N 3.27Å; V71-A73 PolarHBondContact O-N 3.17Å; A73-C75 PolarHBondContact O-N 2.79Å; A73-C75 VanDerWaalsContact O-N 3.09Å; A73-Y76 HydrophobicContact CB-CD2 4.11Å; A73-Y76 VanDerWaalsContact O-CD2 3.25Å; A73-Y76 WeakPolarHBondContact O-CD2 3.32Å; A73-Y76 PolarHBondContact O-N 3.43Å; A73-Y76 VanDerWaalsContact O-N 3.13Å; A73-I79 HydrophobicContact CB-CD1 3.8Å
74	F	95.6	Very high	94.4	Very high	1 Å²	1	38.4 Å²	38.4	0%	0.004	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-63.1	-22.8	-171.2	-57	-83	0	0	0	114.3	Y76 A77 Y85 L87 H94 R96 G97 I98 F102 I106	F74-Y76 PolarHBondContact O-N 2.89Å; F74-Y76 VanDerWaalsContact O-N 3.13Å; F74-A77 PolarHBondContact O-N 3.32Å; F74-Y85 HydrophobicContact CD1-CD1 4.38Å; F74-Y85 VanDerWaalsContact CE1-CB 3.48Å; F74-Y85 HydrophobicContact CE1-CD1 4.32Å; F74-Y85 HydrophobicContact CE1-CG 4.21Å; F74-L87 HydrophobicContact CD2-CD1 4.25Å; F74-L87 HydrophobicContact CE2-CB 3.69Å; F74-L87 HydrophobicContact CE2-CD1 3.7Å; F74-L87 HydrophobicContact CE2-CG 4.21Å; F74-L87 HydrophobicContact CZ-CB 3.76Å; F74-H94 WeakPolarHBondContact CD2-O 3.4Å; F74-R96 CarbonylContact C-O 3.36Å; F74-R96 WeakPolarHBondContact CB-O 3.15Å; F74-G97 WeakPolarHBondContact O-CA 3.25Å; F74-I98 HydrophobicContact CB-CD1 4.49Å; F74-I98 HydrophobicContact CB-CG1 3.7Å; F74-I98 HydrophobicContact CD1-CD1 3.66Å; F74-I98 HydrophobicContact CD1-CG1 3.37Å; F74-I98 HydrophobicContact CD2-CD1 4.09Å; F74-I98 HydrophobicContact CD2-CG1 4.21Å; F74-I98 HydrophobicContact CE1-CD1 3.8Å; F74-I98 HydrophobicContact CE1-CG1 4.02Å; F74-I98 HydrophobicContact CE2-CD1 4.25Å; F74-I98 HydrophobicContact CG-CD1 3.8Å; F74-I98 HydrophobicContact CG-CG1 3.47Å; F74-I98 VanDerWaalsContact CG-CG1 3.47Å; F74-I98 HydrophobicContact CZ-CD1 4.11Å; F74-F102 HydrophobicContact CD1-CE1 4.13Å; F74-F102 HydrophobicContact CD1-CE2 4.17Å; F74-F102 AromaticContact CD1-CZ 3.75Å; F74-F102 HydrophobicContact CD1-CZ 3.75Å; F74-F102 HydrophobicContact CE1-CE1 4.18Å; F74-F102 HydrophobicContact CE1-CZ 4.14Å; F74-I106 HydrophobicContact CE1-CD1 4.42Å; F74-I106 HydrophobicContact CE1-CG1 4.09Å; F74-I106 HydrophobicContact CE1-CG2 4.29Å; F74-I106 HydrophobicContact CZ-CG2 4.14Å
75	C	93.8	Very high	94.4	Very high	66 Å²	66	38.7 Å²	38.7	45%	0.446	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-71.6	-5	179.6	66.8	0	0	0	0	113.8	A73 R96	A73-C75 PolarHBondContact O-N 2.79Å; A73-C75 VanDerWaalsContact O-N 3.09Å; C75-R96 WeakPolarHBondContact CA-O 3.38Å; C75-R96 HydrophobicContact CB-CG 4.29Å; C75-R96 VanDerWaalsContact CB-O 3.26Å; C75-R96 WeakPolarHBondContact CB-O 3.18Å; C75-R96 PolarHBondContact N-O 3.38Å
76	Y	91.5	Very high	94.4	Very high	39 Å²	39	36.5 Å²	36.5	15%	0.153	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-99.7	11.9	177.1	-55.7	-72.3	0	0	0	113.2	R56 C58 P59 K62 A73 F74	R56-Y76 HydrophobicContact CB-CD1 3.87Å; R56-Y76 HydrophobicContact CB-CE1 3.94Å; R56-Y76 VanDerWaalsContact O-CD1 3.31Å; R56-Y76 WeakPolarHBondContact O-CD1 3.45Å; C58-Y76 HydrophobicContact CB-CD2 4.18Å; C58-Y76 HydrophobicContact CB-CG 4.06Å; P59-Y76 WeakPolarHBondContact CD-OH 3.37Å; P59-Y76 HydrophobicContact CG-CE2 4.25Å; K62-Y76 HydrophobicContact CG-CE2 4.38Å; A73-Y76 HydrophobicContact CB-CD2 4.11Å; A73-Y76 VanDerWaalsContact O-CD2 3.25Å; A73-Y76 WeakPolarHBondContact O-CD2 3.32Å; A73-Y76 PolarHBondContact O-N 3.43Å; A73-Y76 VanDerWaalsContact O-N 3.13Å; F74-Y76 PolarHBondContact O-N 2.89Å; F74-Y76 VanDerWaalsContact O-N 3.13Å
77	A	82.8	Confident	94.6	Very high	54 Å²	54	33.3 Å²	33.3	45%	0.446	21%	0.211	S	C	.	.			trans	55.9	-137.8	179	0	0	0	0	0	112.2	F74 I79	F74-A77 PolarHBondContact O-N 3.32Å; A77-I79 PolarHBondContact O-N 2.83Å
78	E	84.9	Confident	94.7	Very high	166 Å²	166	32.1 Å²	32.1	78%	0.776	20%	0.204	S	C	*	.	S	Bend	trans	-77.1	113.1	174.1	-172	171.6	-175.1	0	0	109.6	P80	E78-P80 WeakPolarHBondContact O-CD 3.5Å
79	I	92	Very high	94.7	Very high	9 Å²	9	30.4 Å²	30.4	5%	0.046	19%	0.192	C	C	.	.			trans	-94.9	115.3	-176.3	-55.1	169.5	0	0	0	108.3	C58 W63 T70 A73 A77 G81 C82 Y85	C58-I79 HydrophobicContact CB-CD1 3.9Å; C58-I79 HydrophobicContact CB-CG1 4.16Å; C58-I79 HydrophobicContact CB-CG2 3.74Å; W63-I79 HydrophobicContact CH2-CG2 3.78Å; W63-I79 HydrophobicContact CZ2-CG2 3.25Å; T70-I79 HydrophobicContact CG2-CD1 4.14Å; A73-I79 HydrophobicContact CB-CD1 3.8Å; A77-I79 PolarHBondContact O-N 2.83Å; I79-G81 PolarHBondContact O-N 2.8Å; I79-C82 HydrophobicContact CB-CB 3.74Å; I79-C82 HydrophobicContact CG2-CB 4.05Å; I79-C82 VanDerWaalsContact O-CB 3.3Å; I79-C82 WeakPolarHBondContact O-CB 3.5Å; I79-C82 PolarHBondContact O-N 2.8Å; I79-Y85 HydrophobicContact CD1-CE1 3.8Å; I79-Y85 HydrophobicContact CG1-CE1 4.13Å; I79-Y85 PolarHBondContact N-OH 2.82Å; I79-Y85 VanDerWaalsContact N-OH 3.08Å
80	P	91.5	Very high	94.7	Very high	120 Å²	120	30.8 Å²	30.8	78%	0.779	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.2	128.2	178	-27.1	35.6	0	0	0	112	E78 C82	E78-P80 WeakPolarHBondContact O-CD 3.5Å; P80-C82 VanDerWaalsContact C-N 3.31Å; P80-C82 PolarHBondContact O-N 2.77Å
81	G	91.9	Very high	94.6	Very high	61 Å²	61	31.9 Å²	31.9	63%	0.629	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.2	-5.2	-177.7	0	0	0	0	0	115.4	S68 I79	S68-G81 VanDerWaalsContact CB-O 3.22Å; S68-G81 WeakPolarHBondContact CB-O 3.43Å; I79-G81 PolarHBondContact O-N 2.8Å
82	C	94.8	Very high	94.4	Very high	16 Å²	16	38 Å²	38	11%	0.108	23%	0.225	C	C	.	.			trans	-87.1	121.9	173.5	-176	0	0	0	0	109.7	W63 S68 T70 I79 P80 C84 Y85	W63-C82 HydrophobicContact CH2-CB 3.69Å; W63-C82 HydrophobicContact CZ3-CB 3.97Å; S68-C82 WeakPolarHBondContact O-CA 3.36Å; T70-C82 HydrophobicContact CG2-CB 4.36Å; T70-C82 PolarHBondContact OG1-SG 2.92Å; I79-C82 HydrophobicContact CB-CB 3.74Å; I79-C82 HydrophobicContact CG2-CB 4.05Å; I79-C82 VanDerWaalsContact O-CB 3.3Å; I79-C82 WeakPolarHBondContact O-CB 3.5Å; I79-C82 PolarHBondContact O-N 2.8Å; P80-C82 VanDerWaalsContact C-N 3.31Å; P80-C82 PolarHBondContact O-N 2.77Å; C82-C84 PolarHBondContact SG-O 3.39Å; C82-Y85 HydrophobicContact CB-CE1 4.5Å
83	T	91.7	Very high	94.2	Very high	78 Å²	78	43 Å²	43	48%	0.479	25%	0.252	S	S	.	.			trans	-102.2	-27.1	178	59.6	0	0	0	0	112.3	S68	S68-T83 WeakPolarHBondContact CB-OG1 3.11Å; S68-T83 PolarHBondContact O-N 3.13Å; S68-T83 PolarHBondContact O-OG1 2.83Å; S68-T83 PolarHBondContact OG-OG1 2.99Å
84	C	96.8	Very high	94.2	Very high	11 Å²	11	43.9 Å²	43.9	7%	0.074	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	130	-173.9	-54.2	0	0	0	0	110.8	S68 I69 T70 C82 F86 Y107 I137	S68-C84 PolarHBondContact O-N 3.09Å; I69-C84 HydrophobicContact CG1-CB 4.2Å; T70-C84 PolarHBondContact N-O 3.11Å; C82-C84 PolarHBondContact SG-O 3.39Å; C84-F86 HydrophobicContact CB-CD2 4.47Å; C84-F86 HydrophobicContact CB-CE2 3.94Å; C84-Y107 HydrophobicContact CB-CD2 4.02Å; C84-Y107 HydrophobicContact CB-CE2 3.66Å; C84-I137 HydrophobicContact CB-CG2 4.45Å
85	Y	98	Very high	94.2	Very high	8 Å²	8	44.6 Å²	44.6	3%	0.031	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	119	-177.6	-62.7	-101.9	0	0	0	109.6	F74 I79 C82 F102 D105 I106 Y107	F74-Y85 HydrophobicContact CD1-CD1 4.38Å; F74-Y85 VanDerWaalsContact CE1-CB 3.48Å; F74-Y85 HydrophobicContact CE1-CD1 4.32Å; F74-Y85 HydrophobicContact CE1-CG 4.21Å; I79-Y85 HydrophobicContact CD1-CE1 3.8Å; I79-Y85 HydrophobicContact CG1-CE1 4.13Å; I79-Y85 PolarHBondContact N-OH 2.82Å; I79-Y85 VanDerWaalsContact N-OH 3.08Å; C82-Y85 HydrophobicContact CB-CE1 4.5Å; Y85-F102 AromaticContact CD1-CZ 3.81Å; Y85-F102 HydrophobicContact CD1-CZ 3.81Å; Y85-F102 HydrophobicContact CD2-CE1 4.21Å; Y85-F102 AromaticContact CD2-CZ 3.97Å; Y85-F102 HydrophobicContact CD2-CZ 3.97Å; Y85-F102 AromaticContact CE1-CZ 3.92Å; Y85-F102 HydrophobicContact CE1-CZ 3.92Å; Y85-F102 HydrophobicContact CE2-CZ 4.11Å; Y85-F102 HydrophobicContact CG-CE1 4.25Å; Y85-F102 AromaticContact CG-CZ 3.83Å; Y85-F102 HydrophobicContact CG-CZ 3.83Å; Y85-D105 PolarHBondContact N-O 2.74Å; Y85-I106 CarbonylContact O-C 3.2Å; Y85-I106 VanDerWaalsContact O-CA 3.27Å; Y85-I106 WeakPolarHBondContact O-CA 3.49Å; Y85-Y107 PolarHBondContact O-N 2.82Å
86	F	98.8	Very high	94.3	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	131.1	179.7	-76.6	-115.3	0	0	0	109.4	I69 T70 V71 D72 C84 Y107 L129 I137 V142 F156 F158	I69-F86 HydrophobicContact CB-CE2 4.43Å; I69-F86 HydrophobicContact CD1-CE2 4.04Å; I69-F86 HydrophobicContact CD1-CZ 4.37Å; I69-F86 HydrophobicContact CG1-CE2 4.14Å; I69-F86 HydrophobicContact CG2-CD2 3.34Å; I69-F86 HydrophobicContact CG2-CE2 3.48Å; I69-F86 VanDerWaalsContact CG2-CE2 3.48Å; I69-F86 HydrophobicContact CG2-CG 4.19Å; I69-F86 HydrophobicContact CG2-CZ 4.41Å; T70-F86 PolarHBondContact O-N 3.45Å; V71-F86 CarbonylContact C-O 3.57Å; V71-F86 WeakPolarHBondContact CA-O 3.41Å; V71-F86 HydrophobicContact CB-CB 4.44Å; V71-F86 HydrophobicContact CG1-CB 4.34Å; V71-F86 HydrophobicContact CG2-CB 4.06Å; D72-F86 PolarHBondContact N-O 3.03Å; C84-F86 HydrophobicContact CB-CD2 4.47Å; C84-F86 HydrophobicContact CB-CE2 3.94Å; F86-Y107 WeakPolarHBondContact CA-O 3.31Å; F86-Y107 HydrophobicContact CD2-CD2 4.24Å; F86-Y107 HydrophobicContact CD2-CG 4.42Å; F86-Y107 HydrophobicContact CE1-CG 4.21Å; F86-Y107 AromaticContact CE2-CD2 3.85Å; F86-Y107 HydrophobicContact CE2-CD2 3.85Å; F86-Y107 HydrophobicContact CE2-CG 4.02Å; F86-Y107 HydrophobicContact CZ-CD1 4.4Å; F86-Y107 HydrophobicContact CZ-CD2 4.19Å; F86-Y107 AromaticContact CZ-CG 3.91Å; F86-Y107 HydrophobicContact CZ-CG 3.91Å; F86-L129 HydrophobicContact CD1-CD1 4.04Å; F86-L129 HydrophobicContact CE1-CD1 3.69Å; F86-I137 HydrophobicContact CE1-CD1 4.33Å; F86-I137 HydrophobicContact CZ-CD1 3.63Å; F86-V142 HydrophobicContact CE1-CG1 3.73Å; F86-V142 HydrophobicContact CZ-CG1 4.23Å; F86-V142 HydrophobicContact CZ-CG2 4.18Å; F86-F156 HydrophobicContact CB-CD2 4.42Å; F86-F156 HydrophobicContact CB-CE2 4.03Å; F86-F156 HydrophobicContact CB-CZ 4.32Å; F86-F156 AromaticContact CD1-CD1 3.95Å; F86-F156 HydrophobicContact CD1-CD1 3.95Å; F86-F156 HydrophobicContact CD1-CD2 4.3Å; F86-F156 AromaticContact CD1-CE1 3.96Å; F86-F156 HydrophobicContact CD1-CE1 3.96Å; F86-F156 HydrophobicContact CD1-CE2 4.3Å; F86-F156 HydrophobicContact CD1-CG 4.12Å; F86-F156 HydrophobicContact CD1-CZ 4.13Å; F86-F156 HydrophobicContact CE1-CD1 4.45Å; F86-F158 HydrophobicContact CD1-CE1 4Å; F86-F158 AromaticContact CD1-CZ 3.97Å; F86-F158 HydrophobicContact CD1-CZ 3.97Å; F86-F158 HydrophobicContact CD2-CE1 4.45Å; F86-F158 AromaticContact CE1-CE1 3.73Å; F86-F158 HydrophobicContact CE1-CE1 3.73Å; F86-F158 HydrophobicContact CE1-CZ 4.16Å; F86-F158 HydrophobicContact CE2-CE1 4.2Å; F86-F158 HydrophobicContact CG-CE1 4.36Å; F86-F158 HydrophobicContact CG-CZ 4.24Å; F86-F158 AromaticContact CZ-CE1 3.83Å; F86-F158 HydrophobicContact CZ-CE1 3.83Å
87	L	98.8	Very high	94.3	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.273	C	S	.	.			trans	-109.4	113.9	172.9	179.6	60.4	0	0	0	108.9	D72 F74 H89 H94 F95 I98 I106 Y107 C108 T112 L116	D72-L87 WeakPolarHBondContact OD1-CA 3.12Å; F74-L87 HydrophobicContact CD2-CD1 4.25Å; F74-L87 HydrophobicContact CE2-CB 3.69Å; F74-L87 HydrophobicContact CE2-CD1 3.7Å; F74-L87 HydrophobicContact CE2-CG 4.21Å; F74-L87 HydrophobicContact CZ-CB 3.76Å; L87-H89 VanDerWaalsContact CD1-O 3.3Å; L87-H89 WeakPolarHBondContact CD1-O 3.3Å; L87-H94 HydrophobicContact CD1-CB 4.23Å; L87-F95 HydrophobicContact CD1-CB 3.71Å; L87-F95 HydrophobicContact CD2-CB 3.88Å; L87-F95 HydrophobicContact CG-CB 4.49Å; L87-I98 HydrophobicContact CD2-CD1 4.2Å; L87-I106 HydrophobicContact CB-CG2 4.23Å; L87-Y107 PolarHBondContact N-O 3.46Å; L87-C108 HydrophobicContact CB-CB 4.16Å; L87-C108 WeakPolarHBondContact O-CB 3.44Å; L87-T112 HydrophobicContact CD2-CG2 3.45Å; L87-T112 VanDerWaalsContact CD2-CG2 3.45Å; L87-T112 HydrophobicContact CG-CG2 4.01Å; L87-L116 HydrophobicContact CD2-CD1 3.86Å; L87-L116 HydrophobicContact CD2-CD2 4.19Å; L87-L116 HydrophobicContact CD2-CG 4.26Å
88	S	98.8	Very high	94.9	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.254	C	S	.	.			trans	-68.8	-41.2	-178	65.1	0	0	0	0	112.1	D72 S153 L154	D72-S88 VanDerWaalsContact CG-OG 3.25Å; D72-S88 PolarHBondContact OD1-N 3.49Å; D72-S88 PolarHBondContact OD1-OG 3.24Å; D72-S88 VanDerWaalsContact OD2-CB 3.3Å; D72-S88 WeakPolarHBondContact OD2-CB 3.28Å; D72-S88 PolarHBondContact OD2-OG 2.84Å; S88-S153 CarbonylContact O-C 3.57Å; S88-S153 WeakPolarHBondContact O-CA 3.37Å; S88-L154 PolarHBondContact O-N 3.36Å
89	H	98.4	Very high	95.3	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.237	C	C	.	.			trans	-165	171.1	179.9	63.1	-71.5	0	0	0	113.5	L87 H91 H94 H149 D172	L87-H89 VanDerWaalsContact CD1-O 3.3Å; L87-H89 WeakPolarHBondContact CD1-O 3.3Å; H89-H91 AromaticContact CD2-CG 3.52Å; H89-H91 AromaticContact CD2-ND1 3.6Å; H89-H91 AromaticContact NE2-CG 3.7Å; H89-H91 AromaticContact NE2-ND1 3.54Å; H89-H91 PolarHBondContact O-N 3.04Å; H89-H94 AromaticContact CE1-CD2 3.1Å; H89-H94 PolarHBondContact CE1-CD2 2.71Å; H89-H94 AromaticContact CE1-CE1 3.52Å; H89-H94 AromaticContact CE1-CG 3.45Å; H89-H94 VanDerWaalsContact CE1-CG 3.45Å; H89-H94 AromaticContact CE1-ND1 3.76Å; H89-H94 AromaticContact CE1-NE2 3.13Å; H89-H94 PolarHBondContact CE1-NE2 2.68Å; H89-H94 AromaticContact NE2-CD2 3.17Å; H89-H94 PolarHBondContact NE2-CD2 2.88Å; H89-H94 AromaticContact NE2-CG 3.91Å; H89-H94 AromaticContact NE2-NE2 3.4Å; H89-H94 PolarHBondContact NE2-NE2 3.2Å; H89-H149 AromaticContact CD2-CD2 3.67Å; H89-H149 AromaticContact CD2-NE2 3.9Å; H89-H149 AromaticContact NE2-CD2 3.87Å; H89-H149 AromaticContact NE2-NE2 3.79Å; H89-D172 IonicContact CE1-OD2 3.87Å; H89-D172 PolarHBondContact CE1-OD2 3.48Å; H89-D172 IonicContact NE2-OD2 2.92Å; H89-D172 PolarHBondContact NE2-OD2 3.16Å
90	F	97.7	Very high	95.4	Very high	11 Å²	11	48.9 Å²	48.9	5%	0.048	26%	0.264	C	S	.	.	S	Bend	trans	-92	49.3	-174.2	-161.4	-99.2	0	0	0	113.9	F95 T112 L115 L116 A119	F90-F95 HydrophobicContact CD1-CE1 4Å; F90-F95 AromaticContact CD2-CD1 3.98Å; F90-F95 HydrophobicContact CD2-CD1 3.98Å; F90-F95 HydrophobicContact CD2-CE1 4.01Å; F90-F95 AromaticContact CE1-CE1 3.99Å; F90-F95 HydrophobicContact CE1-CE1 3.99Å; F90-F95 HydrophobicContact CE1-CZ 4.18Å; F90-F95 HydrophobicContact CE2-CD1 4.22Å; F90-F95 HydrophobicContact CE2-CE1 4.01Å; F90-F95 HydrophobicContact CE2-CZ 4.25Å; F90-F95 HydrophobicContact CG-CD1 4.22Å; F90-F95 HydrophobicContact CG-CE1 4Å; F90-F95 AromaticContact CZ-CE1 4Å; F90-F95 HydrophobicContact CZ-CE1 4Å; F90-F95 AromaticContact CZ-CZ 3.98Å; F90-F95 HydrophobicContact CZ-CZ 3.98Å; F90-T112 HydrophobicContact CB-CG2 4.49Å; F90-T112 HydrophobicContact CD2-CG2 4.49Å; F90-L115 HydrophobicContact CB-CB 4.37Å; F90-L115 HydrophobicContact CB-CD1 3.57Å; F90-L115 HydrophobicContact CD1-CB 3.83Å; F90-L115 HydrophobicContact CD1-CD1 3.85Å; F90-L115 HydrophobicContact CD1-CG 4.33Å; F90-L115 HydrophobicContact CD2-CB 3.61Å; F90-L115 HydrophobicContact CD2-CD1 4.41Å; F90-L115 HydrophobicContact CE1-CB 3.96Å; F90-L115 HydrophobicContact CE2-CB 3.73Å; F90-L115 HydrophobicContact CG-CB 3.67Å; F90-L115 HydrophobicContact CG-CD1 3.7Å; F90-L115 HydrophobicContact CG-CG 4.31Å; F90-L115 HydrophobicContact CZ-CB 3.91Å; F90-L116 HydrophobicContact CD2-CD2 4.31Å; F90-L116 HydrophobicContact CD2-CG 4.32Å; F90-L116 HydrophobicContact CE2-CD2 3.91Å; F90-L116 HydrophobicContact CE2-CG 4.16Å; F90-A119 HydrophobicContact CZ-CB 4.11Å
91	H	96.3	Very high	95.3	Very high	24 Å²	24	47.9 Å²	47.9	11%	0.111	25%	0.252	C	S	.	.			trans	-102.6	142.9	163.8	-71.9	172.7	0	0	0	110.9	H89 D93 H94 F95 H149 I251	H89-H91 AromaticContact CD2-CG 3.52Å; H89-H91 AromaticContact CD2-ND1 3.6Å; H89-H91 AromaticContact NE2-CG 3.7Å; H89-H91 AromaticContact NE2-ND1 3.54Å; H89-H91 PolarHBondContact O-N 3.04Å; H91-D93 VanDerWaalsContact C-N 3.3Å; H91-D93 PolarHBondContact O-N 3.13Å; H91-H94 PolarHBondContact O-N 2.87Å; H91-F95 VanDerWaalsContact C-CD1 3.42Å; H91-F95 VanDerWaalsContact C-CE1 3.44Å; H91-F95 WeakPolarHBondContact O-CD1 3.28Å; H91-F95 PolarHBondContact O-N 3.29Å; H91-H149 AromaticContact CE1-CD2 3.94Å; H91-H149 AromaticContact CE1-NE2 3.1Å; H91-H149 PolarHBondContact CE1-NE2 2.82Å; H91-H149 AromaticContact ND1-NE2 3.29Å; H91-H149 PolarHBondContact ND1-NE2 2.77Å; H91-I251 PolarHBondContact NE2-O 2.89Å
92	F	94.7	Very high	95.3	Very high	128 Å²	128	45.7 Å²	45.7	56%	0.561	23%	0.225	S	C	*	.	H	α-helix	trans	-60.3	-38.3	-164.8	178.2	-105.7	0	0	0	113.1	H94 F95 R96	F92-H94 PolarHBondContact O-N 2.76Å; F92-F95 VanDerWaalsContact CA-CE1 3.43Å; F92-F95 HydrophobicContact CB-CE1 4.26Å; F92-F95 HydrophobicContact CB-CZ 4.11Å; F92-F95 HydrophobicContact CD2-CD2 4.46Å; F92-F95 AromaticContact CD2-CE2 3.69Å; F92-F95 HydrophobicContact CD2-CE2 3.69Å; F92-F95 AromaticContact CD2-CZ 3.83Å; F92-F95 HydrophobicContact CD2-CZ 3.83Å; F92-F95 HydrophobicContact CE2-CE2 4.37Å; F92-F95 HydrophobicContact CG-CZ 4.47Å; F92-F95 PolarHBondContact O-N 3.48Å; F92-R96 HydrophobicContact CE1-CB 4.35Å; F92-R96 HydrophobicContact CE1-CG 4.25Å; F92-R96 HydrophobicContact CE2-CB 4.44Å; F92-R96 HydrophobicContact CZ-CB 4.25Å; F92-R96 HydrophobicContact CZ-CG 4.03Å; F92-R96 WeakPolarHBondContact O-CA 3.27Å; F92-R96 WeakPolarHBondContact O-CB 3.49Å; F92-R96 PolarHBondContact O-N 3.48Å
93	D	93.3	Very high	95	Very high	111 Å²	111	53.5 Å²	53.5	59%	0.594	26%	0.258	S	S	*	.	H	α-helix	trans	-63.8	-18.5	178.1	55.5	-47.2	0	0	0	114.1	H91	H91-D93 VanDerWaalsContact C-N 3.3Å; H91-D93 PolarHBondContact O-N 3.13Å
94	H	96.5	Very high	94.9	Very high	18 Å²	18	50.5 Å²	50.5	8%	0.083	24%	0.242	C	C	.	.	H	α-helix	trans	-96.3	-39.5	177.4	-63.4	-85.5	0	0	0	113.2	D72 F74 L87 H89 H91 F92 D172	D72-H94 HydrophobicContact CB-CB 4.06Å; D72-H94 IonicContact OD2-ND1 2.71Å; D72-H94 PolarHBondContact OD2-ND1 2.78Å; F74-H94 WeakPolarHBondContact CD2-O 3.4Å; L87-H94 HydrophobicContact CD1-CB 4.23Å; H89-H94 AromaticContact CE1-CD2 3.1Å; H89-H94 PolarHBondContact CE1-CD2 2.71Å; H89-H94 AromaticContact CE1-CE1 3.52Å; H89-H94 AromaticContact CE1-CG 3.45Å; H89-H94 VanDerWaalsContact CE1-CG 3.45Å; H89-H94 AromaticContact CE1-ND1 3.76Å; H89-H94 AromaticContact CE1-NE2 3.13Å; H89-H94 PolarHBondContact CE1-NE2 2.68Å; H89-H94 AromaticContact NE2-CD2 3.17Å; H89-H94 PolarHBondContact NE2-CD2 2.88Å; H89-H94 AromaticContact NE2-CG 3.91Å; H89-H94 AromaticContact NE2-NE2 3.4Å; H89-H94 PolarHBondContact NE2-NE2 3.2Å; H91-H94 PolarHBondContact O-N 2.87Å; F92-H94 PolarHBondContact O-N 2.76Å; H94-D172 IonicContact CD2-OD2 2.69Å; H94-D172 IonicContact CE1-OD1 3.2Å; H94-D172 PolarHBondContact CE1-OD1 3.23Å; H94-D172 IonicContact CE1-OD2 3.33Å; H94-D172 IonicContact NE2-OD1 3.87Å; H94-D172 IonicContact NE2-OD2 3.5Å; H94-D172 PolarHBondContact NE2-OD2 3.11Å
95	F	95.7	Very high	94.9	Very high	16 Å²	16	52.9 Å²	52.9	7%	0.07	25%	0.254	C	S	.	.	H	α-helix	trans	-93.5	-3.8	178.1	72.7	-105.9	0	0	0	114.5	L87 F90 H91 F92 G97 I98 Y120	L87-F95 HydrophobicContact CD1-CB 3.71Å; L87-F95 HydrophobicContact CD2-CB 3.88Å; L87-F95 HydrophobicContact CG-CB 4.49Å; F90-F95 HydrophobicContact CD1-CE1 4Å; F90-F95 AromaticContact CD2-CD1 3.98Å; F90-F95 HydrophobicContact CD2-CD1 3.98Å; F90-F95 HydrophobicContact CD2-CE1 4.01Å; F90-F95 AromaticContact CE1-CE1 3.99Å; F90-F95 HydrophobicContact CE1-CE1 3.99Å; F90-F95 HydrophobicContact CE1-CZ 4.18Å; F90-F95 HydrophobicContact CE2-CD1 4.22Å; F90-F95 HydrophobicContact CE2-CE1 4.01Å; F90-F95 HydrophobicContact CE2-CZ 4.25Å; F90-F95 HydrophobicContact CG-CD1 4.22Å; F90-F95 HydrophobicContact CG-CE1 4Å; F90-F95 AromaticContact CZ-CE1 4Å; F90-F95 HydrophobicContact CZ-CE1 4Å; F90-F95 AromaticContact CZ-CZ 3.98Å; F90-F95 HydrophobicContact CZ-CZ 3.98Å; H91-F95 VanDerWaalsContact C-CD1 3.42Å; H91-F95 VanDerWaalsContact C-CE1 3.44Å; H91-F95 WeakPolarHBondContact O-CD1 3.28Å; H91-F95 PolarHBondContact O-N 3.29Å; F92-F95 VanDerWaalsContact CA-CE1 3.43Å; F92-F95 HydrophobicContact CB-CE1 4.26Å; F92-F95 HydrophobicContact CB-CZ 4.11Å; F92-F95 HydrophobicContact CD2-CD2 4.46Å; F92-F95 AromaticContact CD2-CE2 3.69Å; F92-F95 HydrophobicContact CD2-CE2 3.69Å; F92-F95 AromaticContact CD2-CZ 3.83Å; F92-F95 HydrophobicContact CD2-CZ 3.83Å; F92-F95 HydrophobicContact CE2-CE2 4.37Å; F92-F95 HydrophobicContact CG-CZ 4.47Å; F92-F95 PolarHBondContact O-N 3.48Å; F95-G97 PolarHBondContact O-N 3.48Å; F95-I98 HydrophobicContact CB-CD1 3.94Å; F95-I98 WeakPolarHBondContact O-CG1 3.43Å; F95-I98 PolarHBondContact O-N 3.19Å; F95-Y120 HydrophobicContact CD2-CE2 4.36Å; F95-Y120 HydrophobicContact CE2-CE2 4.41Å; F95-Y120 WeakPolarHBondContact CE2-OH 3.3Å
96	R	94.6	Very high	94.9	Very high	152 Å²	152	52.5 Å²	52.5	57%	0.574	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	127	-179.4	174.1	179.1	178.6	-170.5	1.8	110.1	F74 C75 F92	F74-R96 CarbonylContact C-O 3.36Å; F74-R96 WeakPolarHBondContact CB-O 3.15Å; C75-R96 WeakPolarHBondContact CA-O 3.38Å; C75-R96 HydrophobicContact CB-CG 4.29Å; C75-R96 VanDerWaalsContact CB-O 3.26Å; C75-R96 WeakPolarHBondContact CB-O 3.18Å; C75-R96 PolarHBondContact N-O 3.38Å; F92-R96 HydrophobicContact CE1-CB 4.35Å; F92-R96 HydrophobicContact CE1-CG 4.25Å; F92-R96 HydrophobicContact CE2-CB 4.44Å; F92-R96 HydrophobicContact CZ-CB 4.25Å; F92-R96 HydrophobicContact CZ-CG 4.03Å; F92-R96 WeakPolarHBondContact O-CA 3.27Å; F92-R96 WeakPolarHBondContact O-CB 3.49Å; F92-R96 PolarHBondContact O-N 3.48Å
97	G	93.1	Very high	94.9	Very high	32 Å²	32	54 Å²	54	33%	0.33	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	107.5	-16.7	-178.6	0	0	0	0	0	113.3	F74 F95 H99	F74-G97 WeakPolarHBondContact O-CA 3.25Å; F95-G97 PolarHBondContact O-N 3.48Å; G97-H99 PolarHBondContact O-CD2 2.83Å; G97-H99 VanDerWaalsContact O-CD2 3.31Å; G97-H99 PolarHBondContact O-N 3.04Å
98	I	95	Very high	94.9	Very high	7 Å²	7	54 Å²	54	4%	0.036	26%	0.258	C	S	.	.			trans	-64.8	135.6	165.3	-60.6	178.7	0	0	0	109.5	F74 L87 F95 I106 L116 Y120 L124	F74-I98 HydrophobicContact CB-CD1 4.49Å; F74-I98 HydrophobicContact CB-CG1 3.7Å; F74-I98 HydrophobicContact CD1-CD1 3.66Å; F74-I98 HydrophobicContact CD1-CG1 3.37Å; F74-I98 HydrophobicContact CD2-CD1 4.09Å; F74-I98 HydrophobicContact CD2-CG1 4.21Å; F74-I98 HydrophobicContact CE1-CD1 3.8Å; F74-I98 HydrophobicContact CE1-CG1 4.02Å; F74-I98 HydrophobicContact CE2-CD1 4.25Å; F74-I98 HydrophobicContact CG-CD1 3.8Å; F74-I98 HydrophobicContact CG-CG1 3.47Å; F74-I98 VanDerWaalsContact CG-CG1 3.47Å; F74-I98 HydrophobicContact CZ-CD1 4.11Å; L87-I98 HydrophobicContact CD2-CD1 4.2Å; F95-I98 HydrophobicContact CB-CD1 3.94Å; F95-I98 WeakPolarHBondContact O-CG1 3.43Å; F95-I98 PolarHBondContact O-N 3.19Å; I98-I106 HydrophobicContact CD1-CD1 4.06Å; I98-I106 HydrophobicContact CG2-CD1 4.46Å; I98-L116 HydrophobicContact CD1-CD2 3.77Å; I98-L116 HydrophobicContact CG2-CD2 4.24Å; I98-Y120 HydrophobicContact CB-CE2 4.16Å; I98-Y120 HydrophobicContact CG2-CD2 3.8Å; I98-Y120 HydrophobicContact CG2-CE2 3.82Å; I98-Y120 HydrophobicContact CG2-CG 4.31Å; I98-Y120 WeakPolarHBondContact O-CE1 3.39Å; I98-Y120 PolarHBondContact O-OH 3.05Å; I98-L124 HydrophobicContact CG2-CD1 3.86Å; I98-L124 HydrophobicContact CG2-CD2 4.47Å
99	H	93.3	Very high	94.9	Very high	92 Å²	92	54.4 Å²	54.4	43%	0.426	26%	0.261	S	S	.	.			trans	-144.2	163	174.1	58.6	85.4	0	0	0	109.2	G97 N101 F102 L124	G97-H99 PolarHBondContact O-CD2 2.83Å; G97-H99 VanDerWaalsContact O-CD2 3.31Å; G97-H99 PolarHBondContact O-N 3.04Å; H99-N101 VanDerWaalsContact CE1-C 3.48Å; H99-N101 PolarHBondContact ND1-N 2.6Å; H99-N101 PolarHBondContact O-N 3.34Å; H99-F102 PolarHBondContact CE1-N 3.01Å; H99-F102 PolarHBondContact ND1-N 2.84Å; H99-F102 VanDerWaalsContact O-CB 3.28Å; H99-F102 WeakPolarHBondContact O-CB 3.31Å; H99-F102 PolarHBondContact O-N 2.81Å; H99-L124 WeakPolarHBondContact O-CD2 3.27Å
100	K	93	Very high	94.9	Very high	142 Å²	142	57.8 Å²	57.8	62%	0.617	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-17.4	-175.6	65.3	174.8	-176.3	178.4	0	117.4	Y120	K100-Y120 WeakPolarHBondContact CB-O 3.42Å
101	N	90.7	Very high	94.9	Very high	99 Å²	99	57.6 Å²	57.6	53%	0.529	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.9	9.4	-177.5	-63.5	-22.9	0	0	0	112.5	H99 K103	H99-N101 VanDerWaalsContact CE1-C 3.48Å; H99-N101 PolarHBondContact ND1-N 2.6Å; H99-N101 PolarHBondContact O-N 3.34Å; N101-K103 PolarHBondContact O-N 3.23Å
102	F	91.9	Very high	95.1	Very high	14 Å²	14	56.5 Å²	56.5	6%	0.061	27%	0.272	C	S	.	.			trans	-59.1	129.2	178.3	-177.7	-94.4	0	0	0	109.5	F74 Y85 H99 G104 I106 L124	F74-F102 HydrophobicContact CD1-CE1 4.13Å; F74-F102 HydrophobicContact CD1-CE2 4.17Å; F74-F102 AromaticContact CD1-CZ 3.75Å; F74-F102 HydrophobicContact CD1-CZ 3.75Å; F74-F102 HydrophobicContact CE1-CE1 4.18Å; F74-F102 HydrophobicContact CE1-CZ 4.14Å; Y85-F102 AromaticContact CD1-CZ 3.81Å; Y85-F102 HydrophobicContact CD1-CZ 3.81Å; Y85-F102 HydrophobicContact CD2-CE1 4.21Å; Y85-F102 AromaticContact CD2-CZ 3.97Å; Y85-F102 HydrophobicContact CD2-CZ 3.97Å; Y85-F102 AromaticContact CE1-CZ 3.92Å; Y85-F102 HydrophobicContact CE1-CZ 3.92Å; Y85-F102 HydrophobicContact CE2-CZ 4.11Å; Y85-F102 HydrophobicContact CG-CE1 4.25Å; Y85-F102 AromaticContact CG-CZ 3.83Å; Y85-F102 HydrophobicContact CG-CZ 3.83Å; H99-F102 PolarHBondContact CE1-N 3.01Å; H99-F102 PolarHBondContact ND1-N 2.84Å; H99-F102 VanDerWaalsContact O-CB 3.28Å; H99-F102 WeakPolarHBondContact O-CB 3.31Å; H99-F102 PolarHBondContact O-N 2.81Å; F102-G104 VanDerWaalsContact CE1-CA 3.5Å; F102-G104 WeakPolarHBondContact CE1-O 3.38Å; F102-I106 HydrophobicContact CD1-CD1 3.88Å; F102-I106 HydrophobicContact CD1-CG1 4.03Å; F102-I106 HydrophobicContact CE1-CD1 4.17Å; F102-I106 HydrophobicContact CE1-CG1 3.87Å; F102-L124 HydrophobicContact CB-CD2 3.95Å
103	K	87.4	Confident	95.2	Very high	181 Å²	181	51.5 Å²	51.5	79%	0.787	25%	0.25	S	C	*	.			trans	-98.5	-10.3	-169.5	-64.8	-60.3	-174.6	177.9	0	114.9	N101	N101-K103 PolarHBondContact O-N 3.23Å
104	G	90.4	Very high	95.5	Very high	14 Å²	14	47.4 Å²	47.4	14%	0.144	23%	0.228	C	C	.	.	S	Bend	trans	-78.6	149.5	-179.3	0	0	0	0	0	113.1	F102 I106	F102-G104 VanDerWaalsContact CE1-CA 3.5Å; F102-G104 WeakPolarHBondContact CE1-O 3.38Å; G104-I106 PolarHBondContact O-N 3.47Å
105	D	95.8	Very high	95.6	Very high	62 Å²	62	46.6 Å²	46.6	33%	0.332	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	116.4	171.4	-71.9	-40.8	0	0	0	110.4	Y85 Y107 V125	Y85-D105 PolarHBondContact N-O 2.74Å; D105-Y107 HydrophobicContact CB-CE2 3.85Å; D105-V125 WeakPolarHBondContact OD1-CG1 3.36Å
106	I	98.1	Very high	95.7	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	123.9	-179.1	-53.3	176.1	0	0	0	109.4	F74 Y85 L87 I98 F102 G104 L116 L124 V125 I126 N127	F74-I106 HydrophobicContact CE1-CD1 4.42Å; F74-I106 HydrophobicContact CE1-CG1 4.09Å; F74-I106 HydrophobicContact CE1-CG2 4.29Å; F74-I106 HydrophobicContact CZ-CG2 4.14Å; Y85-I106 CarbonylContact O-C 3.2Å; Y85-I106 VanDerWaalsContact O-CA 3.27Å; Y85-I106 WeakPolarHBondContact O-CA 3.49Å; L87-I106 HydrophobicContact CB-CG2 4.23Å; I98-I106 HydrophobicContact CD1-CD1 4.06Å; I98-I106 HydrophobicContact CG2-CD1 4.46Å; F102-I106 HydrophobicContact CD1-CD1 3.88Å; F102-I106 HydrophobicContact CD1-CG1 4.03Å; F102-I106 HydrophobicContact CE1-CD1 4.17Å; F102-I106 HydrophobicContact CE1-CG1 3.87Å; G104-I106 PolarHBondContact O-N 3.47Å; I106-L116 HydrophobicContact CG2-CD1 4.13Å; I106-L124 HydrophobicContact CD1-CD1 4.31Å; I106-V125 PolarHBondContact N-O 2.92Å; I106-I126 HydrophobicContact CB-CG1 4.37Å; I106-I126 HydrophobicContact CD1-CG1 4.45Å; I106-I126 CarbonylContact O-C 3.51Å; I106-I126 WeakPolarHBondContact O-CA 3.41Å; I106-N127 PolarHBondContact O-N 2.84Å
107	Y	98.8	Very high	95.8	Very high	31 Å²	31	44 Å²	44	12%	0.122	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	122.3	174.8	-68	-94.9	0	0	0	110.5	C84 Y85 F86 L87 D105 N127 L129 I137	C84-Y107 HydrophobicContact CB-CD2 4.02Å; C84-Y107 HydrophobicContact CB-CE2 3.66Å; Y85-Y107 PolarHBondContact O-N 2.82Å; F86-Y107 WeakPolarHBondContact CA-O 3.31Å; F86-Y107 HydrophobicContact CD2-CD2 4.24Å; F86-Y107 HydrophobicContact CD2-CG 4.42Å; F86-Y107 HydrophobicContact CE1-CG 4.21Å; F86-Y107 AromaticContact CE2-CD2 3.85Å; F86-Y107 HydrophobicContact CE2-CD2 3.85Å; F86-Y107 HydrophobicContact CE2-CG 4.02Å; F86-Y107 HydrophobicContact CZ-CD1 4.4Å; F86-Y107 HydrophobicContact CZ-CD2 4.19Å; F86-Y107 AromaticContact CZ-CG 3.91Å; F86-Y107 HydrophobicContact CZ-CG 3.91Å; L87-Y107 PolarHBondContact N-O 3.46Å; D105-Y107 HydrophobicContact CB-CE2 3.85Å; Y107-N127 WeakPolarHBondContact CA-O 3.19Å; Y107-N127 HydrophobicContact CD1-CB 3.51Å; Y107-N127 HydrophobicContact CE1-CB 3.48Å; Y107-N127 VanDerWaalsContact CE1-CB 3.48Å; Y107-N127 HydrophobicContact CG-CB 4.15Å; Y107-L129 HydrophobicContact CD1-CD2 4.07Å; Y107-L129 HydrophobicContact CD1-CG 4.42Å; Y107-I137 HydrophobicContact CD1-CD1 3.54Å; Y107-I137 HydrophobicContact CE1-CD1 3.36Å; Y107-I137 HydrophobicContact CE1-CG1 3.91Å; Y107-I137 HydrophobicContact CE1-CG2 4.44Å; Y107-I137 HydrophobicContact CE2-CG2 4.39Å; Y107-I137 HydrophobicContact CG-CD1 4.26Å
108	C	98.9	Very high	95.9	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	-175.2	-178.4	68.9	0	0	0	0	112.2	L87 T112 I126 N127 V128 L129	L87-C108 HydrophobicContact CB-CB 4.16Å; L87-C108 WeakPolarHBondContact O-CB 3.44Å; C108-T112 HydrophobicContact CB-CG2 3.75Å; C108-I126 VanDerWaalsContact SG-CG2 3.51Å; C108-N127 PolarHBondContact N-O 2.81Å; C108-N127 VanDerWaalsContact N-O 3.13Å; C108-V128 CarbonylContact O-C 3.53Å; C108-V128 WeakPolarHBondContact O-CA 3.35Å; C108-L129 PolarHBondContact O-N 2.89Å
109	S	98.8	Very high	96	Very high	8 Å²	8	46.9 Å²	46.9	6%	0.056	23%	0.228	C	C	.	.			trans	-75	164.2	172.2	59.6	0	0	0	0	112.9	V111 T112 K113 G152	S109-V111 VanDerWaalsContact C-N 3.32Å; S109-V111 PolarHBondContact O-N 3.32Å; S109-T112 PolarHBondContact O-N 2.9Å; S109-T112 WeakPolarHBondContact OG-CB 3.26Å; S109-T112 PolarHBondContact OG-N 2.88Å; S109-T112 PolarHBondContact OG-OG1 3.15Å; S109-K113 PolarHBondContact O-N 2.9Å; S109-G152 WeakPolarHBondContact CB-O 3.44Å; S109-G152 VanDerWaalsContact OG-CA 3.28Å; S109-G152 WeakPolarHBondContact OG-CA 3.42Å; S109-G152 PolarHBondContact OG-O 3.43Å
110	E	98.7	Very high	96.1	Very high	71 Å²	71	45.2 Å²	45.2	33%	0.332	22%	0.218	S	C	.	.	H	α-helix	trans	-58.6	-42.6	173.3	-175.5	63.1	-158.1	0	0	111.8	T112 K113 N114 V128	E110-T112 PolarHBondContact O-N 2.85Å; E110-K113 WeakPolarHBondContact O-CB 3.45Å; E110-K113 PolarHBondContact O-N 2.85Å; E110-K113 WeakPolarHBondContact OE1-CE 3.12Å; E110-K113 IonicContact OE1-NZ 2.69Å; E110-K113 PolarHBondContact OE1-NZ 3.42Å; E110-K113 WeakPolarHBondContact OE2-CE 3.3Å; E110-K113 IonicContact OE2-NZ 3.34Å; E110-K113 PolarHBondContact OE2-NZ 2.92Å; E110-N114 PolarHBondContact O-N 2.87Å; E110-V128 HydrophobicContact CB-CG1 4.04Å; E110-V128 WeakPolarHBondContact OE2-CG2 3.22Å
111	V	98.7	Very high	96	Very high	8 Å²	8	40.1 Å²	40.1	5%	0.048	21%	0.205	C	C	.	.	H	α-helix	trans	-56.6	-50.4	174	169.8	0	0	0	0	110.6	S109 K113 N114 L115 P151 A281 G284 C286	S109-V111 VanDerWaalsContact C-N 3.32Å; S109-V111 PolarHBondContact O-N 3.32Å; V111-K113 VanDerWaalsContact C-N 3.32Å; V111-K113 PolarHBondContact O-N 3.28Å; V111-N114 PolarHBondContact O-N 3.13Å; V111-N114 VanDerWaalsContact O-N 3.17Å; V111-L115 HydrophobicContact CG1-CD1 3.93Å; V111-L115 WeakPolarHBondContact O-CG 3.36Å; V111-L115 PolarHBondContact O-N 3.26Å; V111-L115 VanDerWaalsContact O-N 3.12Å; V111-P151 HydrophobicContact CG1-CB 4.17Å; V111-P151 WeakPolarHBondContact CG1-O 3.08Å; V111-A281 HydrophobicContact CG1-CB 3.84Å; V111-G284 WeakPolarHBondContact CG2-O 3.37Å; V111-C286 HydrophobicContact CG2-CB 4.38Å
112	T	98.7	Very high	95.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-65.1	-36.4	-178.6	-59.7	0	0	0	0	111.8	L87 F90 C108 S109 E110 N114 L115 L116 G152	L87-T112 HydrophobicContact CD2-CG2 3.45Å; L87-T112 VanDerWaalsContact CD2-CG2 3.45Å; L87-T112 HydrophobicContact CG-CG2 4.01Å; F90-T112 HydrophobicContact CB-CG2 4.49Å; F90-T112 HydrophobicContact CD2-CG2 4.49Å; C108-T112 HydrophobicContact CB-CG2 3.75Å; S109-T112 PolarHBondContact O-N 2.9Å; S109-T112 WeakPolarHBondContact OG-CB 3.26Å; S109-T112 PolarHBondContact OG-N 2.88Å; S109-T112 PolarHBondContact OG-OG1 3.15Å; E110-T112 PolarHBondContact O-N 2.85Å; T112-N114 VanDerWaalsContact C-N 3.35Å; T112-N114 PolarHBondContact O-N 3.1Å; T112-L115 PolarHBondContact O-N 2.88Å; T112-L116 HydrophobicContact CG2-CD1 4.23Å; T112-L116 HydrophobicContact CG2-CG 4.4Å; T112-L116 WeakPolarHBondContact O-CB 3.24Å; T112-L116 WeakPolarHBondContact O-CG 3.47Å; T112-L116 PolarHBondContact O-N 3.06Å; T112-G152 PolarHBondContact OG1-O 3.18Å
113	K	98.6	Very high	96	Very high	24 Å²	24	42.8 Å²	42.8	10%	0.104	24%	0.243	C	C	.	.	H	α-helix	trans	-57.9	-46.7	172.5	-179	-172.1	79.1	-163.3	0	111.4	S109 E110 V111 L115 L116 R117 I126 V128	S109-K113 PolarHBondContact O-N 2.9Å; E110-K113 WeakPolarHBondContact O-CB 3.45Å; E110-K113 PolarHBondContact O-N 2.85Å; E110-K113 WeakPolarHBondContact OE1-CE 3.12Å; E110-K113 IonicContact OE1-NZ 2.69Å; E110-K113 PolarHBondContact OE1-NZ 3.42Å; E110-K113 WeakPolarHBondContact OE2-CE 3.3Å; E110-K113 IonicContact OE2-NZ 3.34Å; E110-K113 PolarHBondContact OE2-NZ 2.92Å; V111-K113 VanDerWaalsContact C-N 3.32Å; V111-K113 PolarHBondContact O-N 3.28Å; K113-L115 VanDerWaalsContact C-N 3.33Å; K113-L115 PolarHBondContact O-N 3.49Å; K113-L116 PolarHBondContact O-N 2.69Å; K113-R117 VanDerWaalsContact CE-NH1 3.34Å; K113-R117 HydrophobicContact CG-CG 4.47Å; K113-R117 WeakPolarHBondContact O-CB 3.33Å; K113-R117 WeakPolarHBondContact O-CG 3.2Å; K113-R117 PolarHBondContact O-N 3.12Å; K113-I126 HydrophobicContact CB-CG2 3.83Å; K113-I126 HydrophobicContact CD-CG2 4.37Å; K113-I126 HydrophobicContact CG-CB 4.03Å; K113-I126 HydrophobicContact CG-CD1 4.08Å; K113-I126 HydrophobicContact CG-CG2 3.72Å; K113-V128 HydrophobicContact CB-CG2 4.16Å; K113-V128 HydrophobicContact CD-CG2 3.59Å; K113-V128 HydrophobicContact CG-CG2 4.43Å
114	N	98.5	Very high	96.3	Very high	25 Å²	25	34.7 Å²	34.7	13%	0.134	21%	0.208	C	C	.	.	H	α-helix	trans	-62.4	-42.1	-179.5	-68.3	-13.7	0	0	0	111.5	E110 V111 T112 R117 D118 L280	E110-N114 PolarHBondContact O-N 2.87Å; V111-N114 PolarHBondContact O-N 3.13Å; V111-N114 VanDerWaalsContact O-N 3.17Å; T112-N114 VanDerWaalsContact C-N 3.35Å; T112-N114 PolarHBondContact O-N 3.1Å; N114-R117 PolarHBondContact O-N 2.69Å; N114-D118 PolarHBondContact O-N 3.17Å; N114-L280 HydrophobicContact CB-CB 4.29Å; N114-L280 HydrophobicContact CB-CD2 4.38Å
115	L	98.3	Very high	96.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-66.8	-40.4	177.4	-59.6	169.8	0	0	0	112.1	F90 V111 T112 K113 D118 A119 I251 L277 L280	F90-L115 HydrophobicContact CB-CB 4.37Å; F90-L115 HydrophobicContact CB-CD1 3.57Å; F90-L115 HydrophobicContact CD1-CB 3.83Å; F90-L115 HydrophobicContact CD1-CD1 3.85Å; F90-L115 HydrophobicContact CD1-CG 4.33Å; F90-L115 HydrophobicContact CD2-CB 3.61Å; F90-L115 HydrophobicContact CD2-CD1 4.41Å; F90-L115 HydrophobicContact CE1-CB 3.96Å; F90-L115 HydrophobicContact CE2-CB 3.73Å; F90-L115 HydrophobicContact CG-CB 3.67Å; F90-L115 HydrophobicContact CG-CD1 3.7Å; F90-L115 HydrophobicContact CG-CG 4.31Å; F90-L115 HydrophobicContact CZ-CB 3.91Å; V111-L115 HydrophobicContact CG1-CD1 3.93Å; V111-L115 WeakPolarHBondContact O-CG 3.36Å; V111-L115 PolarHBondContact O-N 3.26Å; V111-L115 VanDerWaalsContact O-N 3.12Å; T112-L115 PolarHBondContact O-N 2.88Å; K113-L115 VanDerWaalsContact C-N 3.33Å; K113-L115 PolarHBondContact O-N 3.49Å; L115-D118 PolarHBondContact O-N 3.35Å; L115-A119 WeakPolarHBondContact O-CB 3.35Å; L115-A119 PolarHBondContact O-N 3.24Å; L115-I251 HydrophobicContact CD1-CD1 3.75Å; L115-L277 HydrophobicContact CD2-CB 4.02Å; L115-L277 HydrophobicContact CD2-CD2 3.71Å; L115-L277 HydrophobicContact CD2-CG 4.4Å; L115-L280 HydrophobicContact CD2-CB 3.98Å; L115-L280 HydrophobicContact CD2-CD1 4.28Å
116	L	97.7	Very high	96.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-64.4	-41.8	174.5	-76.8	173.8	0	0	0	112.3	L87 F90 I98 I106 T112 K113 A119 Y120 L124 I126	L87-L116 HydrophobicContact CD2-CD1 3.86Å; L87-L116 HydrophobicContact CD2-CD2 4.19Å; L87-L116 HydrophobicContact CD2-CG 4.26Å; F90-L116 HydrophobicContact CD2-CD2 4.31Å; F90-L116 HydrophobicContact CD2-CG 4.32Å; F90-L116 HydrophobicContact CE2-CD2 3.91Å; F90-L116 HydrophobicContact CE2-CG 4.16Å; I98-L116 HydrophobicContact CD1-CD2 3.77Å; I98-L116 HydrophobicContact CG2-CD2 4.24Å; I106-L116 HydrophobicContact CG2-CD1 4.13Å; T112-L116 HydrophobicContact CG2-CD1 4.23Å; T112-L116 HydrophobicContact CG2-CG 4.4Å; T112-L116 WeakPolarHBondContact O-CB 3.24Å; T112-L116 WeakPolarHBondContact O-CG 3.47Å; T112-L116 PolarHBondContact O-N 3.06Å; K113-L116 PolarHBondContact O-N 2.69Å; L116-A119 PolarHBondContact O-N 2.67Å; L116-Y120 HydrophobicContact CD2-CD2 3.92Å; L116-Y120 HydrophobicContact CD2-CE2 3.93Å; L116-Y120 WeakPolarHBondContact O-CB 3.34Å; L116-Y120 PolarHBondContact O-N 2.92Å; L116-L124 HydrophobicContact CB-CD1 4.43Å; L116-I126 HydrophobicContact CB-CD1 3.73Å; L116-I126 HydrophobicContact CD1-CD1 3.93Å; L116-I126 HydrophobicContact CD1-CG1 4.46Å
117	R	97	Very high	96.7	Very high	114 Å²	114	37.9 Å²	37.9	43%	0.43	22%	0.224	S	C	.	.	H	α-helix	trans	-65.8	-37.6	177.3	-75.2	177.4	173.7	177.9	-2.8	112.2	K113 N114 G121 I126	K113-R117 VanDerWaalsContact CE-NH1 3.34Å; K113-R117 HydrophobicContact CG-CG 4.47Å; K113-R117 WeakPolarHBondContact O-CB 3.33Å; K113-R117 WeakPolarHBondContact O-CG 3.2Å; K113-R117 PolarHBondContact O-N 3.12Å; N114-R117 PolarHBondContact O-N 2.69Å; R117-G121 WeakPolarHBondContact O-CA 3.41Å; R117-G121 PolarHBondContact O-N 3.18Å; R117-I126 HydrophobicContact CG-CD1 4.22Å
118	D	96.5	Very high	96.7	Very high	58 Å²	58	38.9 Å²	38.9	31%	0.31	23%	0.233	S	C	.	.	H	α-helix	trans	-62.4	-44	172.1	-178.5	77.6	0	0	0	111.6	N114 L115 R276 L280	N114-D118 PolarHBondContact O-N 3.17Å; L115-D118 PolarHBondContact O-N 3.35Å; D118-R276 VanDerWaalsContact CG-NE 3.27Å; D118-R276 VanDerWaalsContact OD1-CD 3.29Å; D118-R276 WeakPolarHBondContact OD1-CD 3.46Å; D118-R276 IonicContact OD1-CZ 2.8Å; D118-R276 IonicContact OD1-NE 3.45Å; D118-R276 PolarHBondContact OD1-NE 3.4Å; D118-R276 IonicContact OD2-CZ 3.86Å; D118-R276 VanDerWaalsContact OD2-CZ 3.26Å; D118-R276 IonicContact OD2-NE 3.65Å; D118-R276 PolarHBondContact OD2-NE 2.97Å; D118-R276 IonicContact OD2-NH2 3.74Å; D118-R276 PolarHBondContact OD2-NH2 3.26Å; D118-L280 HydrophobicContact CB-CD1 3.45Å; D118-L280 VanDerWaalsContact CB-CD1 3.45Å
119	A	95.4	Very high	96.7	Very high	42 Å²	42	39.2 Å²	39.2	35%	0.347	24%	0.235	S	C	.	.	H	α-helix	trans	-75.8	-35.6	-176.5	0	0	0	0	0	114.1	F90 L115 L116	F90-A119 HydrophobicContact CZ-CB 4.11Å; L115-A119 WeakPolarHBondContact O-CB 3.35Å; L115-A119 PolarHBondContact O-N 3.24Å; L116-A119 PolarHBondContact O-N 2.67Å
120	Y	95.6	Very high	96.6	Very high	57 Å²	57	44.1 Å²	44.1	22%	0.224	26%	0.257	C	S	.	.	H	α-helix	trans	-128.8	-1.3	-166.6	-58.3	-66.8	0	0	0	115	F95 I98 K100 L116 L124	F95-Y120 HydrophobicContact CD2-CE2 4.36Å; F95-Y120 HydrophobicContact CE2-CE2 4.41Å; F95-Y120 WeakPolarHBondContact CE2-OH 3.3Å; I98-Y120 HydrophobicContact CB-CE2 4.16Å; I98-Y120 HydrophobicContact CG2-CD2 3.8Å; I98-Y120 HydrophobicContact CG2-CE2 3.82Å; I98-Y120 HydrophobicContact CG2-CG 4.31Å; I98-Y120 WeakPolarHBondContact O-CE1 3.39Å; I98-Y120 PolarHBondContact O-OH 3.05Å; K100-Y120 WeakPolarHBondContact CB-O 3.42Å; L116-Y120 HydrophobicContact CD2-CD2 3.92Å; L116-Y120 HydrophobicContact CD2-CE2 3.93Å; L116-Y120 WeakPolarHBondContact O-CB 3.34Å; L116-Y120 PolarHBondContact O-N 2.92Å; Y120-L124 HydrophobicContact CD2-CD1 4.21Å; Y120-L124 HydrophobicContact CG-CD1 4.33Å
121	G	90.9	Very high	96.6	Very high	34 Å²	34	45 Å²	45	35%	0.351	26%	0.263	S	S	.	.			trans	82.9	-174.9	-179.5	0	0	0	0	0	114.1	R117 G123	R117-G121 WeakPolarHBondContact O-CA 3.41Å; R117-G121 PolarHBondContact O-N 3.18Å; G121-G123 VanDerWaalsContact C-N 3.34Å; G121-G123 PolarHBondContact O-N 3.38Å
122	S	90	Very high	96.4	Very high	111 Å²	111	49.5 Å²	49.5	78%	0.776	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-2.2	-173.5	53.4	0	0	0	0	115.2	L124	S122-L124 VanDerWaalsContact C-N 3.3Å; S122-L124 PolarHBondContact O-N 2.98Å
123	G	92.5	Very high	96.3	Very high	59 Å²	59	54.1 Å²	54.1	61%	0.608	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-8.9	-174.8	0	0	0	0	0	115.6	G121	G121-G123 VanDerWaalsContact C-N 3.34Å; G121-G123 PolarHBondContact O-N 3.38Å
124	L	94.8	Very high	96.2	Very high	10 Å²	10	56.2 Å²	56.2	5%	0.052	32%	0.322	C	S	.	.	S	Bend	trans	-80.4	138.3	178.4	-62.3	-177.8	0	0	0	111.4	I98 H99 F102 I106 L116 Y120 S122 I126	I98-L124 HydrophobicContact CG2-CD1 3.86Å; I98-L124 HydrophobicContact CG2-CD2 4.47Å; H99-L124 WeakPolarHBondContact O-CD2 3.27Å; F102-L124 HydrophobicContact CB-CD2 3.95Å; I106-L124 HydrophobicContact CD1-CD1 4.31Å; L116-L124 HydrophobicContact CB-CD1 4.43Å; Y120-L124 HydrophobicContact CD2-CD1 4.21Å; Y120-L124 HydrophobicContact CG-CD1 4.33Å; S122-L124 VanDerWaalsContact C-N 3.3Å; S122-L124 PolarHBondContact O-N 2.98Å; L124-I126 HydrophobicContact CB-CD1 3.89Å; L124-I126 HydrophobicContact CB-CG1 3.77Å; L124-I126 HydrophobicContact CD1-CD1 4.25Å; L124-I126 PolarHBondContact O-N 3.19Å
125	V	96.1	Very high	96.2	Very high	72 Å²	72	57.3 Å²	57.3	44%	0.436	33%	0.329	S	S	.	.			trans	-83.8	105.1	169.1	-170.9	0	0	0	0	108.5	D105 I106	D105-V125 WeakPolarHBondContact OD1-CG1 3.36Å; I106-V125 PolarHBondContact N-O 2.92Å
126	I	97.9	Very high	96.2	Very high	18 Å²	18	64.9 Å²	64.9	9%	0.092	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	118.9	-176.5	-51.2	169.9	0	0	0	109.3	I106 C108 K113 L116 R117 L124	I106-I126 HydrophobicContact CB-CG1 4.37Å; I106-I126 HydrophobicContact CD1-CG1 4.45Å; I106-I126 CarbonylContact O-C 3.51Å; I106-I126 WeakPolarHBondContact O-CA 3.41Å; C108-I126 VanDerWaalsContact SG-CG2 3.51Å; K113-I126 HydrophobicContact CB-CG2 3.83Å; K113-I126 HydrophobicContact CD-CG2 4.37Å; K113-I126 HydrophobicContact CG-CB 4.03Å; K113-I126 HydrophobicContact CG-CD1 4.08Å; K113-I126 HydrophobicContact CG-CG2 3.72Å; L116-I126 HydrophobicContact CB-CD1 3.73Å; L116-I126 HydrophobicContact CD1-CD1 3.93Å; L116-I126 HydrophobicContact CD1-CG1 4.46Å; R117-I126 HydrophobicContact CG-CD1 4.22Å; L124-I126 HydrophobicContact CB-CD1 3.89Å; L124-I126 HydrophobicContact CB-CG1 3.77Å; L124-I126 HydrophobicContact CD1-CD1 4.25Å; L124-I126 PolarHBondContact O-N 3.19Å
127	N	98.4	Very high	96.1	Very high	54 Å²	54	65.5 Å²	65.5	29%	0.289	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	125.5	178.7	-60	-69.5	0	0	0	109.4	I106 Y107 C108	I106-N127 PolarHBondContact O-N 2.84Å; Y107-N127 WeakPolarHBondContact CA-O 3.19Å; Y107-N127 HydrophobicContact CD1-CB 3.51Å; Y107-N127 HydrophobicContact CE1-CB 3.48Å; Y107-N127 VanDerWaalsContact CE1-CB 3.48Å; Y107-N127 HydrophobicContact CG-CB 4.15Å; C108-N127 PolarHBondContact N-O 2.81Å; C108-N127 VanDerWaalsContact N-O 3.13Å
128	V	98.6	Very high	95.9	Very high	51 Å²	51	63.1 Å²	63.1	31%	0.309	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	129.9	-176.4	175.2	0	0	0	0	109.8	C108 E110 K113	C108-V128 CarbonylContact O-C 3.53Å; C108-V128 WeakPolarHBondContact O-CA 3.35Å; E110-V128 HydrophobicContact CB-CG1 4.04Å; E110-V128 WeakPolarHBondContact OE2-CG2 3.22Å; K113-V128 HydrophobicContact CB-CG2 4.16Å; K113-V128 HydrophobicContact CD-CG2 3.59Å; K113-V128 HydrophobicContact CG-CG2 4.43Å
129	L	98.6	Very high	95.9	Very high	7 Å²	7	64.5 Å²	64.5	4%	0.037	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-96	121.1	170	-60.9	172.7	0	0	0	108.9	F86 Y107 C108 I137 A144 F156	F86-L129 HydrophobicContact CD1-CD1 4.04Å; F86-L129 HydrophobicContact CE1-CD1 3.69Å; Y107-L129 HydrophobicContact CD1-CD2 4.07Å; Y107-L129 HydrophobicContact CD1-CG 4.42Å; C108-L129 PolarHBondContact O-N 2.89Å; L129-I137 HydrophobicContact CD2-CD1 4.22Å; L129-A144 HydrophobicContact CB-CB 3.77Å; L129-A144 HydrophobicContact CD1-CB 4.3Å; L129-F156 HydrophobicContact CD1-CD1 4.04Å; L129-F156 HydrophobicContact CD1-CE1 3.73Å
130	E	97.8	Very high	96	Very high	111 Å²	111	62.6 Å²	62.6	52%	0.519	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-75.1	137	169.9	-68.2	167.8	-125	0	0	109.3	E132 K133	E130-E132 PolarHBondContact O-N 2.97Å; E130-K133 HydrophobicContact CB-CB 3.89Å; E130-K133 HydrophobicContact CB-CD 3.9Å; E130-K133 HydrophobicContact CG-CD 4.29Å; E130-K133 PolarHBondContact O-N 3.44Å; E130-K133 IonicContact OE1-NZ 3.12Å; E130-K133 PolarHBondContact OE1-NZ 3.47Å; E130-K133 VanDerWaalsContact OE2-CD 3.24Å; E130-K133 WeakPolarHBondContact OE2-CD 3.44Å; E130-K133 IonicContact OE2-NZ 2.67Å; E130-K133 PolarHBondContact OE2-NZ 2.86Å; E130-K133 VanDerWaalsContact OE2-NZ 3.12Å
131	I	97.3	Very high	96.1	Very high	90 Å²	90	63.6 Å²	63.6	46%	0.462	38%	0.375	S	S	.	.	B	Isolated β-bridge	trans	-62	136.7	178.8	-69.3	174.3	0	0	0	109.6	K133 D146 L154	I131-K133 PolarHBondContact O-N 3.41Å; I131-D146 HydrophobicContact CD1-CB 4.3Å; I131-L154 HydrophobicContact CD1-CD2 4.3Å; I131-L154 HydrophobicContact CG1-CD2 3.94Å
132	E	94.7	Very high	96.5	Very high	102 Å²	102	62 Å²	62	48%	0.477	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.9	7	179.4	-67.4	-178.2	161.9	0	0	115.7	E130 A144 L145 I185	E130-E132 PolarHBondContact O-N 2.97Å; E132-A144 PolarHBondContact N-O 3.37Å; E132-L145 HydrophobicContact CG-CD2 3.99Å; E132-I185 HydrophobicContact CB-CD1 3.86Å; E132-I185 HydrophobicContact CG-CD1 3.99Å
133	K	97.3	Very high	96.9	Very high	98 Å²	98	57.3 Å²	57.3	43%	0.426	33%	0.325	S	S	.	.			trans	-96.4	119.9	173.5	-174.3	178.1	179.5	176.7	0	110.9	E130 I131 T135	E130-K133 HydrophobicContact CB-CB 3.89Å; E130-K133 HydrophobicContact CB-CD 3.9Å; E130-K133 HydrophobicContact CG-CD 4.29Å; E130-K133 PolarHBondContact O-N 3.44Å; E130-K133 IonicContact OE1-NZ 3.12Å; E130-K133 PolarHBondContact OE1-NZ 3.47Å; E130-K133 VanDerWaalsContact OE2-CD 3.24Å; E130-K133 WeakPolarHBondContact OE2-CD 3.44Å; E130-K133 IonicContact OE2-NZ 2.67Å; E130-K133 PolarHBondContact OE2-NZ 2.86Å; E130-K133 VanDerWaalsContact OE2-NZ 3.12Å; I131-K133 PolarHBondContact O-N 3.41Å; K133-T135 PolarHBondContact O-N 3.29Å
134	S	96.6	Very high	97.2	Very high	68 Å²	68	54.6 Å²	54.6	48%	0.476	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	129.1	172.3	-176.8	0	0	0	0	110.7	T143	S134-T143 WeakPolarHBondContact CA-OG1 3.33Å
135	T	97.9	Very high	97.4	Very high	47 Å²	47	54.5 Å²	54.5	29%	0.288	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	128.1	179.6	-55.9	0	0	0	0	109.5	K133 I137 V142	K133-T135 PolarHBondContact O-N 3.29Å; T135-I137 HydrophobicContact CG2-CG1 4.2Å; T135-V142 PolarHBondContact N-O 3.2Å; T135-V142 PolarHBondContact O-N 3.43Å
136	K	97.9	Very high	97.5	Very high	159 Å²	159	54.3 Å²	54.3	69%	0.691	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83	121.2	176	-174.6	175.4	-180	178.9	0	110.5	G138	K136-G138 WeakPolarHBondContact CE-O 3.39Å
137	I	96.8	Very high	97.5	Very high	13 Å²	13	53.4 Å²	53.4	7%	0.067	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	105.5	178.5	-61.3	167.9	0	0	0	107.6	C84 F86 Y107 L129 T135 N139 V140 V142	C84-I137 HydrophobicContact CB-CG2 4.45Å; F86-I137 HydrophobicContact CE1-CD1 4.33Å; F86-I137 HydrophobicContact CZ-CD1 3.63Å; Y107-I137 HydrophobicContact CD1-CD1 3.54Å; Y107-I137 HydrophobicContact CE1-CD1 3.36Å; Y107-I137 HydrophobicContact CE1-CG1 3.91Å; Y107-I137 HydrophobicContact CE1-CG2 4.44Å; Y107-I137 HydrophobicContact CE2-CG2 4.39Å; Y107-I137 HydrophobicContact CG-CD1 4.26Å; L129-I137 HydrophobicContact CD2-CD1 4.22Å; T135-I137 HydrophobicContact CG2-CG1 4.2Å; I137-N139 PolarHBondContact O-N 2.94Å; I137-V140 PolarHBondContact N-O 3.39Å; I137-V140 PolarHBondContact O-N 2.92Å; I137-V142 HydrophobicContact CB-CG2 4.47Å; I137-V142 HydrophobicContact CD1-CB 4.25Å; I137-V142 HydrophobicContact CD1-CG2 4.05Å
138	G	93.5	Very high	97.5	Very high	65 Å²	65	51.7 Å²	51.7	67%	0.67	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	-120.8	-170.2	0	0	0	0	0	111.7	K136	K136-G138 WeakPolarHBondContact CE-O 3.39Å
139	N	94.4	Very high	97.5	Very high	86 Å²	86	49.4 Å²	49.4	46%	0.46	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	13.6	177.4	67.6	-30.8	0	0	0	113.5	I137 P161	I137-N139 PolarHBondContact O-N 2.94Å; N139-P161 VanDerWaalsContact O-CD 3.27Å; N139-P161 WeakPolarHBondContact O-CD 3.33Å
140	V	98.4	Very high	97.4	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.012	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	137.2	-177.7	-170	0	0	0	0	109.4	T67 I69 I137 V142 F158 Y159 V160	T67-V140 HydrophobicContact CG2-CG1 4.45Å; T67-V140 HydrophobicContact CG2-CG2 3.54Å; I69-V140 HydrophobicContact CD1-CB 4.08Å; I69-V140 HydrophobicContact CD1-CG1 4.16Å; I69-V140 HydrophobicContact CD1-CG2 3.98Å; I137-V140 PolarHBondContact N-O 3.39Å; I137-V140 PolarHBondContact O-N 2.92Å; V140-V142 HydrophobicContact CB-CG2 4.41Å; V140-V142 HydrophobicContact CG1-CG2 3.93Å; V140-F158 HydrophobicContact CG1-CB 4Å; V140-F158 HydrophobicContact CG1-CD1 4.16Å; V140-Y159 WeakPolarHBondContact CA-O 3.21Å; V140-Y159 WeakPolarHBondContact CG1-O 3.37Å; V140-V160 HydrophobicContact CG1-CG2 4.3Å; V140-V160 HydrophobicContact CG2-CG2 4.42Å
141	E	98.5	Very high	97.4	Very high	79 Å²	79	44.3 Å²	44.3	37%	0.369	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	127.1	167.6	-68.1	177.9	-171.2	0	0	108.7	Y159	E141-Y159 HydrophobicContact CB-CD1 4.36Å; E141-Y159 PolarHBondContact N-O 3.5Å; E141-Y159 PolarHBondContact O-N 3.25Å
142	V	98.8	Very high	97.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	129.1	-174.9	-168.3	0	0	0	0	110.9	F86 T135 I137 V140 L157 F158	F86-V142 HydrophobicContact CE1-CG1 3.73Å; F86-V142 HydrophobicContact CZ-CG1 4.23Å; F86-V142 HydrophobicContact CZ-CG2 4.18Å; T135-V142 PolarHBondContact N-O 3.2Å; T135-V142 PolarHBondContact O-N 3.43Å; I137-V142 HydrophobicContact CB-CG2 4.47Å; I137-V142 HydrophobicContact CD1-CB 4.25Å; I137-V142 HydrophobicContact CD1-CG2 4.05Å; V140-V142 HydrophobicContact CB-CG2 4.41Å; V140-V142 HydrophobicContact CG1-CG2 3.93Å; V142-L157 VanDerWaalsContact CA-O 3.31Å; V142-L157 WeakPolarHBondContact CA-O 3.41Å; V142-F158 HydrophobicContact CB-CD1 4.35Å; V142-F158 HydrophobicContact CG1-CD1 3.86Å; V142-F158 HydrophobicContact CG1-CE1 3.76Å; V142-F158 HydrophobicContact CG2-CD1 3.62Å; V142-F158 HydrophobicContact CG2-CE1 3.99Å
143	T	98.7	Very high	97.7	Very high	13 Å²	13	35.9 Å²	35.9	8%	0.08	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	124.1	172.6	-56.6	0	0	0	0	109.5	S134 L145 L157 I185	S134-T143 WeakPolarHBondContact CA-OG1 3.33Å; T143-L145 HydrophobicContact CG2-CD2 4.15Å; T143-L157 PolarHBondContact N-O 2.8Å; T143-L157 PolarHBondContact O-N 3.46Å; T143-I185 HydrophobicContact CG2-CD1 3.73Å
144	A	98.8	Very high	97.8	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.008	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	139.6	172.7	0	0	0	0	0	110.5	L129 E132 L154 M155 F156	L129-A144 HydrophobicContact CB-CB 3.77Å; L129-A144 HydrophobicContact CD1-CB 4.3Å; E132-A144 PolarHBondContact N-O 3.37Å; A144-L154 HydrophobicContact CB-CD1 3.93Å; A144-L154 HydrophobicContact CB-CD2 4.18Å; A144-L154 HydrophobicContact CB-CG 4.5Å; A144-M155 WeakPolarHBondContact CA-O 3.36Å; A144-F156 HydrophobicContact CB-CD1 4.42Å
145	L	98.6	Very high	97.9	Very high	8 Å²	8	28.1 Å²	28.1	4%	0.042	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	150.1	175.1	-52.8	171.8	0	0	0	108.6	E132 T143 A147 L154 M155 L168 I185 L186	E132-L145 HydrophobicContact CG-CD2 3.99Å; T143-L145 HydrophobicContact CG2-CD2 4.15Å; L145-A147 PolarHBondContact O-N 3.2Å; L145-L154 CarbonylContact O-C 3.55Å; L145-L154 VanDerWaalsContact O-CA 3.29Å; L145-L154 WeakPolarHBondContact O-CA 3.47Å; L145-M155 HydrophobicContact CB-CB 4.25Å; L145-M155 HydrophobicContact CB-CE 4.07Å; L145-M155 HydrophobicContact CD1-CE 4.34Å; L145-M155 PolarHBondContact N-O 3.17Å; L145-M155 PolarHBondContact O-N 2.96Å; L145-L168 HydrophobicContact CD1-CD1 4.42Å; L145-I185 HydrophobicContact CD2-CB 4.38Å; L145-I185 HydrophobicContact CD2-CD1 4.27Å; L145-L186 HydrophobicContact CD1-CD1 4.09Å; L145-L186 HydrophobicContact CD1-CD2 3.8Å; L145-L186 HydrophobicContact CD1-CG 3.77Å
146	D	98.2	Very high	97.9	Very high	68 Å²	68	25.9 Å²	25.9	36%	0.364	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	130.2	173.6	-177.9	54.1	0	0	0	110.7	I131 N148 M155	I131-D146 HydrophobicContact CD1-CB 4.3Å; D146-N148 WeakPolarHBondContact OD2-CA 3.3Å; D146-N148 PolarHBondContact OD2-N 3.43Å; D146-N148 VanDerWaalsContact OD2-N 3.09Å; D146-M155 WeakPolarHBondContact O-CE 3.47Å
147	A	98.6	Very high	98	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	12%	0.117	C	C	.	.			trans	-87.9	-5.9	177.7	0	0	0	0	0	113.3	L145 H149 S153 M155 F173 R174	L145-A147 PolarHBondContact O-N 3.2Å; A147-H149 HydrophobicContact CB-CB 4.48Å; A147-H149 PolarHBondContact O-N 3.47Å; A147-S153 PolarHBondContact N-O 3.3Å; A147-M155 HydrophobicContact CB-CG 3.81Å; A147-F173 HydrophobicContact CB-CB 3.86Å; A147-F173 VanDerWaalsContact O-CA 3.24Å; A147-F173 WeakPolarHBondContact O-CA 3.39Å; A147-F173 VanDerWaalsContact O-CB 3.31Å; A147-F173 WeakPolarHBondContact O-CB 3.2Å; A147-R174 PolarHBondContact O-N 2.91Å
148	N	97.8	Very high	98.1	Very high	18 Å²	18	18 Å²	18	10%	0.096	11%	0.113	C	C	.	.	S	Bend	trans	52.3	24	-175.7	-175.3	42.3	0	0	0	113.9	D146 R174 T176 M179 R255	D146-N148 WeakPolarHBondContact OD2-CA 3.3Å; D146-N148 PolarHBondContact OD2-N 3.43Å; D146-N148 VanDerWaalsContact OD2-N 3.09Å; N148-R174 HydrophobicContact CB-CB 4.48Å; N148-R174 WeakPolarHBondContact CB-O 3.49Å; N148-R174 PolarHBondContact ND2-O 2.83Å; N148-R174 WeakPolarHBondContact O-CB 3.29Å; N148-T176 VanDerWaalsContact ND2-CG2 3.31Å; N148-T176 WeakPolarHBondContact ND2-CG2 3.43Å; N148-M179 HydrophobicContact CB-CE 3.63Å; N148-R255 VanDerWaalsContact OD1-CZ 3.31Å; N148-R255 PolarHBondContact OD1-NH2 2.95Å
149	H	97.8	Very high	98.3	Very high	2 Å²	2	18.5 Å²	18.5	1%	0.009	10%	0.096	C	C	.	.	S	Bend	trans	-89.3	-86.5	-179.9	178.3	75.4	0	0	0	110.1	H89 H91 A147 S153 D172 R255 E391 H392	H89-H149 AromaticContact CD2-CD2 3.67Å; H89-H149 AromaticContact CD2-NE2 3.9Å; H89-H149 AromaticContact NE2-CD2 3.87Å; H89-H149 AromaticContact NE2-NE2 3.79Å; H91-H149 AromaticContact CE1-CD2 3.94Å; H91-H149 AromaticContact CE1-NE2 3.1Å; H91-H149 PolarHBondContact CE1-NE2 2.82Å; H91-H149 AromaticContact ND1-NE2 3.29Å; H91-H149 PolarHBondContact ND1-NE2 2.77Å; A147-H149 HydrophobicContact CB-CB 4.48Å; A147-H149 PolarHBondContact O-N 3.47Å; H149-S153 WeakPolarHBondContact CB-OG 3.4Å; H149-S153 PolarHBondContact N-OG 2.96Å; H149-S153 VanDerWaalsContact N-OG 3.09Å; H149-D172 WeakPolarHBondContact CB-O 3.03Å; H149-R255 PolarHBondContact O-NH1 3.41Å; H149-R255 VanDerWaalsContact O-NH1 3.15Å; H149-E391 HydrophobicContact CB-CB 4.45Å; H149-E391 VanDerWaalsContact ND1-C 3.33Å; H149-E391 VanDerWaalsContact ND1-CB 3.3Å; H149-E391 WeakPolarHBondContact ND1-CB 3.45Å; H149-E391 PolarHBondContact ND1-O 3.1Å; H149-E391 WeakPolarHBondContact O-CB 3.41Å; H149-E391 WeakPolarHBondContact O-CG 3.44Å; H149-H392 AromaticContact CE1-CD2 3.79Å; H149-H392 AromaticContact CE1-CE1 3.61Å; H149-H392 AromaticContact CE1-NE2 3.45Å; H149-H392 PolarHBondContact CE1-NE2 3Å
150	C	97.6	Very high	98.5	Very high	2 Å²	2	14.4 Å²	14.4	1%	0.014	7%	0.074	C	C	.	.	S	Bend	trans	-117.3	169.3	175.6	76.1	0	0	0	0	110.6	G152 S153 I251	C150-G152 PolarHBondContact O-N 3.33Å; C150-G152 VanDerWaalsContact O-N 3.1Å; C150-S153 PolarHBondContact N-OG 3.48Å; C150-S153 WeakPolarHBondContact O-CB 3.48Å; C150-S153 PolarHBondContact O-N 3.03Å; C150-S153 PolarHBondContact O-OG 3.27Å; C150-I251 HydrophobicContact CB-CG2 4.3Å
151	P	98.2	Very high	98.4	Very high	9 Å²	9	16.7 Å²	16.7	6%	0.058	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50	122.3	173.7	-27	33.4	0	0	0	112.2	V111 I251 E254 A281 C286 C289	V111-P151 HydrophobicContact CG1-CB 4.17Å; V111-P151 WeakPolarHBondContact CG1-O 3.08Å; P151-I251 HydrophobicContact CB-CD1 3.65Å; P151-I251 HydrophobicContact CB-CG1 4.25Å; P151-I251 HydrophobicContact CG-CD1 3.78Å; P151-I251 HydrophobicContact CG-CG1 3.81Å; P151-E254 WeakPolarHBondContact CD-OE2 3.31Å; P151-E254 HydrophobicContact CG-CG 4.43Å; P151-A281 HydrophobicContact CB-CB 3.9Å; P151-C286 HydrophobicContact CB-CB 4.07Å; P151-C289 VanDerWaalsContact CG-SG 3.59Å
152	G	98.4	Very high	98.4	Very high	14 Å²	14	17.1 Å²	17.1	14%	0.144	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.6	4.5	179.9	0	0	0	0	0	116	S109 T112 C150	S109-G152 WeakPolarHBondContact CB-O 3.44Å; S109-G152 VanDerWaalsContact OG-CA 3.28Å; S109-G152 WeakPolarHBondContact OG-CA 3.42Å; S109-G152 PolarHBondContact OG-O 3.43Å; T112-G152 PolarHBondContact OG1-O 3.18Å; C150-G152 PolarHBondContact O-N 3.33Å; C150-G152 VanDerWaalsContact O-N 3.1Å
153	S	98.8	Very high	98.3	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.007	12%	0.123	C	C	.	.			trans	-69.7	132.5	178.4	61.3	0	0	0	0	112.5	S88 A147 H149 C150	S88-S153 CarbonylContact O-C 3.57Å; S88-S153 WeakPolarHBondContact O-CA 3.37Å; A147-S153 PolarHBondContact N-O 3.3Å; H149-S153 WeakPolarHBondContact CB-OG 3.4Å; H149-S153 PolarHBondContact N-OG 2.96Å; H149-S153 VanDerWaalsContact N-OG 3.09Å; C150-S153 PolarHBondContact N-OG 3.48Å; C150-S153 WeakPolarHBondContact O-CB 3.48Å; C150-S153 PolarHBondContact O-N 3.03Å; C150-S153 PolarHBondContact O-OG 3.27Å
154	L	98.9	Very high	98.2	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	139	-177.2	-62.1	178.9	0	0	0	112.3	S88 I131 A144 L145 F156	S88-L154 PolarHBondContact O-N 3.36Å; I131-L154 HydrophobicContact CD1-CD2 4.3Å; I131-L154 HydrophobicContact CG1-CD2 3.94Å; A144-L154 HydrophobicContact CB-CD1 3.93Å; A144-L154 HydrophobicContact CB-CD2 4.18Å; A144-L154 HydrophobicContact CB-CG 4.5Å; L145-L154 CarbonylContact O-C 3.55Å; L145-L154 VanDerWaalsContact O-CA 3.29Å; L145-L154 WeakPolarHBondContact O-CA 3.47Å; L154-F156 HydrophobicContact CB-CD1 4.26Å; L154-F156 HydrophobicContact CB-CE1 3.6Å; L154-F156 HydrophobicContact CB-CZ 3.78Å; L154-F156 HydrophobicContact CD1-CE1 3.65Å; L154-F156 HydrophobicContact CD1-CZ 4.17Å; L154-F156 HydrophobicContact CG-CE1 4.3Å
155	M	98.9	Very high	98.2	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.01	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	155.5	151.1	-49.5	-170.8	-83.8	0	0	108.9	A144 L145 D146 A147 L168 H169 T170 F173 M179 L186	A144-M155 WeakPolarHBondContact CA-O 3.36Å; L145-M155 HydrophobicContact CB-CB 4.25Å; L145-M155 HydrophobicContact CB-CE 4.07Å; L145-M155 HydrophobicContact CD1-CE 4.34Å; L145-M155 PolarHBondContact N-O 3.17Å; L145-M155 PolarHBondContact O-N 2.96Å; D146-M155 WeakPolarHBondContact O-CE 3.47Å; A147-M155 HydrophobicContact CB-CG 3.81Å; M155-L168 HydrophobicContact CB-CD1 4.24Å; M155-H169 CarbonylContact C-O 3.58Å; M155-H169 WeakPolarHBondContact CA-O 3.46Å; M155-H169 WeakPolarHBondContact CB-O 3.43Å; M155-T170 WeakPolarHBondContact CG-O 3.25Å; M155-T170 HydrophobicContact SD-CG2 4.28Å; M155-F173 HydrophobicContact SD-CD2 3.98Å; M155-F173 HydrophobicContact SD-CG 4.49Å; M155-M179 HydrophobicContact CE-CE 4.27Å; M155-M179 HydrophobicContact CE-SD 3.87Å; M155-L186 HydrophobicContact CE-CD1 4.36Å
156	F	98.9	Very high	98.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	124.7	179.1	-55.1	-64	0	0	0	111.2	V71 F86 L129 A144 L154 F158 L168 H169	V71-F156 HydrophobicContact CG1-CD2 4.12Å; V71-F156 HydrophobicContact CG1-CE2 4.02Å; F86-F156 HydrophobicContact CB-CD2 4.42Å; F86-F156 HydrophobicContact CB-CE2 4.03Å; F86-F156 HydrophobicContact CB-CZ 4.32Å; F86-F156 AromaticContact CD1-CD1 3.95Å; F86-F156 HydrophobicContact CD1-CD1 3.95Å; F86-F156 HydrophobicContact CD1-CD2 4.3Å; F86-F156 AromaticContact CD1-CE1 3.96Å; F86-F156 HydrophobicContact CD1-CE1 3.96Å; F86-F156 HydrophobicContact CD1-CE2 4.3Å; F86-F156 HydrophobicContact CD1-CG 4.12Å; F86-F156 HydrophobicContact CD1-CZ 4.13Å; F86-F156 HydrophobicContact CE1-CD1 4.45Å; L129-F156 HydrophobicContact CD1-CD1 4.04Å; L129-F156 HydrophobicContact CD1-CE1 3.73Å; A144-F156 HydrophobicContact CB-CD1 4.42Å; L154-F156 HydrophobicContact CB-CD1 4.26Å; L154-F156 HydrophobicContact CB-CE1 3.6Å; L154-F156 HydrophobicContact CB-CZ 3.78Å; L154-F156 HydrophobicContact CD1-CE1 3.65Å; L154-F156 HydrophobicContact CD1-CZ 4.17Å; L154-F156 HydrophobicContact CG-CE1 4.3Å; F156-F158 HydrophobicContact CB-CD2 4.11Å; F156-F158 HydrophobicContact CB-CE1 4.29Å; F156-F158 HydrophobicContact CB-CE2 3.31Å; F156-F158 HydrophobicContact CB-CZ 3.41Å; F156-F158 VanDerWaalsContact CB-CZ 3.41Å; F156-F158 HydrophobicContact CD2-CZ 4.27Å; F156-F158 HydrophobicContact CG-CE2 4.26Å; F156-F158 AromaticContact CG-CZ 3.98Å; F156-F158 HydrophobicContact CG-CZ 3.98Å; F156-L168 CarbonylContact O-C 3.53Å; F156-L168 WeakPolarHBondContact O-CA 3.5Å; F156-H169 PolarHBondContact N-O 2.81Å; F156-H169 PolarHBondContact O-N 2.85Å
157	L	98.8	Very high	98.2	Very high	6 Å²	6	30.1 Å²	30.1	3%	0.031	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	114.1	171.1	-167	74.8	0	0	0	108.8	V142 T143 T166 Y167 L168 I185 L186 Y189 I202	V142-L157 VanDerWaalsContact CA-O 3.31Å; V142-L157 WeakPolarHBondContact CA-O 3.41Å; T143-L157 PolarHBondContact N-O 2.8Å; T143-L157 PolarHBondContact O-N 3.46Å; L157-T166 HydrophobicContact CD1-CG2 3.41Å; L157-T166 VanDerWaalsContact CD1-CG2 3.41Å; L157-T166 HydrophobicContact CD2-CG2 4.33Å; L157-T166 HydrophobicContact CG-CG2 3.71Å; L157-Y167 CarbonylContact C-O 3.56Å; L157-Y167 WeakPolarHBondContact CA-O 3.36Å; L157-L168 HydrophobicContact CB-CD1 4.43Å; L157-L168 HydrophobicContact CD1-CB 4.07Å; L157-L168 HydrophobicContact CD1-CD1 4.03Å; L157-I185 HydrophobicContact CD2-CG2 4.28Å; L157-L186 HydrophobicContact CD1-CD2 4.35Å; L157-Y189 HydrophobicContact CD2-CE2 3.67Å; L157-I202 HydrophobicContact CD1-CD1 4.06Å
158	F	98.8	Very high	98.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	113.5	178.3	-56.1	-86.4	0	0	0	109.6	I64 I69 V71 F86 V140 V142 F156 T166 Y167 H169	I64-F158 HydrophobicContact CD1-CD2 3.83Å; I64-F158 HydrophobicContact CD1-CE2 3.61Å; I64-F158 HydrophobicContact CD1-CZ 4.34Å; I64-F158 HydrophobicContact CG1-CD2 3.84Å; I64-F158 HydrophobicContact CG1-CE1 4.39Å; I64-F158 HydrophobicContact CG1-CE2 3.66Å; I64-F158 HydrophobicContact CG1-CG 4.27Å; I64-F158 HydrophobicContact CG1-CZ 3.97Å; I64-F158 HydrophobicContact CG2-CB 3.99Å; I64-F158 HydrophobicContact CG2-CD2 4.05Å; I64-F158 HydrophobicContact CG2-CG 3.97Å; I69-F158 HydrophobicContact CD1-CD1 4.02Å; I69-F158 HydrophobicContact CD1-CE1 4.08Å; I69-F158 HydrophobicContact CG2-CE1 3.88Å; I69-F158 HydrophobicContact CG2-CZ 4.22Å; V71-F158 HydrophobicContact CG2-CE2 4.14Å; V71-F158 HydrophobicContact CG2-CZ 3.96Å; F86-F158 HydrophobicContact CD1-CE1 4Å; F86-F158 AromaticContact CD1-CZ 3.97Å; F86-F158 HydrophobicContact CD1-CZ 3.97Å; F86-F158 HydrophobicContact CD2-CE1 4.45Å; F86-F158 AromaticContact CE1-CE1 3.73Å; F86-F158 HydrophobicContact CE1-CE1 3.73Å; F86-F158 HydrophobicContact CE1-CZ 4.16Å; F86-F158 HydrophobicContact CE2-CE1 4.2Å; F86-F158 HydrophobicContact CG-CE1 4.36Å; F86-F158 HydrophobicContact CG-CZ 4.24Å; F86-F158 AromaticContact CZ-CE1 3.83Å; F86-F158 HydrophobicContact CZ-CE1 3.83Å; V140-F158 HydrophobicContact CG1-CB 4Å; V140-F158 HydrophobicContact CG1-CD1 4.16Å; V142-F158 HydrophobicContact CB-CD1 4.35Å; V142-F158 HydrophobicContact CG1-CD1 3.86Å; V142-F158 HydrophobicContact CG1-CE1 3.76Å; V142-F158 HydrophobicContact CG2-CD1 3.62Å; V142-F158 HydrophobicContact CG2-CE1 3.99Å; F156-F158 HydrophobicContact CB-CD2 4.11Å; F156-F158 HydrophobicContact CB-CE1 4.29Å; F156-F158 HydrophobicContact CB-CE2 3.31Å; F156-F158 HydrophobicContact CB-CZ 3.41Å; F156-F158 VanDerWaalsContact CB-CZ 3.41Å; F156-F158 HydrophobicContact CD2-CZ 4.27Å; F156-F158 HydrophobicContact CG-CE2 4.26Å; F156-F158 AromaticContact CG-CZ 3.98Å; F156-F158 HydrophobicContact CG-CZ 3.98Å; F158-T166 CarbonylContact O-C 3.56Å; F158-T166 VanDerWaalsContact O-CA 3.3Å; F158-T166 WeakPolarHBondContact O-CA 3.24Å; F158-Y167 PolarHBondContact N-O 3Å; F158-Y167 PolarHBondContact O-N 3.47Å; F158-H169 HydrophobicContact CE2-CB 4.07Å
159	Y	98.6	Very high	98.2	Very high	76 Å²	76	29.6 Å²	29.6	30%	0.298	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	127.1	169.2	175.5	-120.9	0	0	0	110	V140 E141 P161 R165 T166	V140-Y159 WeakPolarHBondContact CA-O 3.21Å; V140-Y159 WeakPolarHBondContact CG1-O 3.37Å; E141-Y159 HydrophobicContact CB-CD1 4.36Å; E141-Y159 PolarHBondContact N-O 3.5Å; E141-Y159 PolarHBondContact O-N 3.25Å; Y159-P161 HydrophobicContact CD1-CG 3.92Å; Y159-P161 HydrophobicContact CE1-CB 3.99Å; Y159-P161 HydrophobicContact CE1-CG 3.7Å; Y159-P161 WeakPolarHBondContact O-CD 3.47Å; Y159-R165 WeakPolarHBondContact CD2-O 3.22Å; Y159-T166 WeakPolarHBondContact CD2-OG1 3.2Å
160	V	98.5	Very high	98.3	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	96.3	178.3	-175.7	0	0	0	0	108.3	D66 T67 V140 S162 K163 Q164 R165 Y167	D66-V160 HydrophobicContact CB-CG1 4.3Å; T67-V160 HydrophobicContact CG2-CG2 3.64Å; V140-V160 HydrophobicContact CG1-CG2 4.3Å; V140-V160 HydrophobicContact CG2-CG2 4.42Å; V160-S162 VanDerWaalsContact C-N 3.3Å; V160-S162 WeakPolarHBondContact CG1-OG 3.44Å; V160-S162 PolarHBondContact O-N 3.21Å; V160-K163 HydrophobicContact CG1-CB 4.2Å; V160-K163 HydrophobicContact CG1-CG 4.03Å; V160-K163 PolarHBondContact O-N 3.23Å; V160-K163 VanDerWaalsContact O-N 3.12Å; V160-Q164 PolarHBondContact O-N 2.99Å; V160-R165 PolarHBondContact N-O 3.4Å; V160-R165 PolarHBondContact O-N 2.82Å; V160-Y167 HydrophobicContact CG2-CD2 4.13Å; V160-Y167 HydrophobicContact CG2-CE2 3.86Å
161	P	97.4	Very high	98.3	Very high	51 Å²	51	29.4 Å²	29.4	33%	0.331	15%	0.149	S	C	.	.	G	3₁₀ helix	trans	-59.1	-37.9	-172.9	-25.5	34.4	0	0	0	113.8	N139 Y159 K163 Q164	N139-P161 VanDerWaalsContact O-CD 3.27Å; N139-P161 WeakPolarHBondContact O-CD 3.33Å; Y159-P161 HydrophobicContact CD1-CG 3.92Å; Y159-P161 HydrophobicContact CE1-CB 3.99Å; Y159-P161 HydrophobicContact CE1-CG 3.7Å; Y159-P161 WeakPolarHBondContact O-CD 3.47Å; P161-K163 PolarHBondContact O-N 3.17Å; P161-Q164 WeakPolarHBondContact O-CG 3.46Å; P161-Q164 PolarHBondContact O-N 3.13Å; P161-Q164 VanDerWaalsContact O-N 3.11Å
162	S	97	Very high	98.3	Very high	87 Å²	87	29.6 Å²	29.6	61%	0.608	15%	0.149	S	C	*	.	G	3₁₀ helix	trans	-63.2	-24.1	-179.5	60	0	0	0	0	113.8	V160	V160-S162 VanDerWaalsContact C-N 3.3Å; V160-S162 WeakPolarHBondContact CG1-OG 3.44Å; V160-S162 PolarHBondContact O-N 3.21Å
163	K	97.1	Very high	98.4	Very high	110 Å²	110	28.9 Å²	28.9	48%	0.478	14%	0.142	S	C	.	.	G	3₁₀ helix	trans	-106.6	-9	176.3	-60.1	-60	-172.4	-179.8	0	112.9	D66 V160 P161 R165	D66-K163 HydrophobicContact CB-CG 3.84Å; D66-K163 WeakPolarHBondContact OD1-CE 3.49Å; V160-K163 HydrophobicContact CG1-CB 4.2Å; V160-K163 HydrophobicContact CG1-CG 4.03Å; V160-K163 PolarHBondContact O-N 3.23Å; V160-K163 VanDerWaalsContact O-N 3.12Å; P161-K163 PolarHBondContact O-N 3.17Å; K163-R165 HydrophobicContact CB-CB 4.19Å; K163-R165 HydrophobicContact CB-CG 4.17Å; K163-R165 PolarHBondContact O-N 3.1Å
164	Q	96.5	Very high	98.3	Very high	148 Å²	148	29 Å²	29	69%	0.692	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.7	42.5	-169.8	-56.5	179.5	21.9	0	0	111.8	V160 P161	V160-Q164 PolarHBondContact O-N 2.99Å; P161-Q164 WeakPolarHBondContact O-CG 3.46Å; P161-Q164 PolarHBondContact O-N 3.13Å; P161-Q164 VanDerWaalsContact O-N 3.11Å
165	R	98.1	Very high	98.3	Very high	96 Å²	96	29.8 Å²	29.8	36%	0.362	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	140.4	-177.6	-76	178	-179.8	174.3	-6.8	111.2	D66 Y159 V160 K163 Y167 H203	D66-R165 IonicContact OD2-NH1 3.73Å; Y159-R165 WeakPolarHBondContact CD2-O 3.22Å; V160-R165 PolarHBondContact N-O 3.4Å; V160-R165 PolarHBondContact O-N 2.82Å; K163-R165 HydrophobicContact CB-CB 4.19Å; K163-R165 HydrophobicContact CB-CG 4.17Å; K163-R165 PolarHBondContact O-N 3.1Å; R165-Y167 HydrophobicContact CB-CE2 4.07Å; R165-Y167 VanDerWaalsContact CD-OH 3.28Å; R165-Y167 WeakPolarHBondContact CD-OH 3.42Å; R165-H203 HydrophobicContact CB-CB 4.17Å; R165-H203 HydrophobicContact CG-CB 4.16Å; R165-H203 PolarHBondContact NE-NE2 3.04Å
166	T	98.5	Very high	98.2	Very high	8 Å²	8	31.5 Å²	31.5	5%	0.049	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	132.3	174.2	-54.5	0	0	0	0	110.2	L157 F158 Y159 Y189 I202 H203 S204	L157-T166 HydrophobicContact CD1-CG2 3.41Å; L157-T166 VanDerWaalsContact CD1-CG2 3.41Å; L157-T166 HydrophobicContact CD2-CG2 4.33Å; L157-T166 HydrophobicContact CG-CG2 3.71Å; F158-T166 CarbonylContact O-C 3.56Å; F158-T166 VanDerWaalsContact O-CA 3.3Å; F158-T166 WeakPolarHBondContact O-CA 3.24Å; Y159-T166 WeakPolarHBondContact CD2-OG1 3.2Å; T166-Y189 HydrophobicContact CG2-CE1 3.89Å; T166-I202 HydrophobicContact CG2-CG1 4.34Å; T166-I202 WeakPolarHBondContact O-CG2 3.47Å; T166-H203 WeakPolarHBondContact O-CA 3.28Å; T166-H203 WeakPolarHBondContact O-CB 3.32Å; T166-H203 PolarHBondContact O-N 2.8Å; T166-S204 PolarHBondContact O-N 3.37Å
167	Y	98.8	Very high	98.1	Very high	1 Å²	1	35.6 Å²	35.6	0%	0.004	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	132.6	175.6	-53.2	-76.2	0	0	0	109.1	I64 P65 D66 L157 F158 V160 R165 H203 S204 F206	I64-Y167 HydrophobicContact CG2-CD2 3.78Å; I64-Y167 HydrophobicContact CG2-CG 4.09Å; P65-Y167 HydrophobicContact CB-CE1 4.01Å; P65-Y167 HydrophobicContact CB-CE2 4.39Å; P65-Y167 HydrophobicContact CG-CD1 4.27Å; P65-Y167 HydrophobicContact CG-CE1 3.84Å; P65-Y167 VanDerWaalsContact O-CE2 3.25Å; P65-Y167 WeakPolarHBondContact O-CE2 3.47Å; D66-Y167 PolarHBondContact OD2-OH 3.1Å; L157-Y167 CarbonylContact C-O 3.56Å; L157-Y167 WeakPolarHBondContact CA-O 3.36Å; F158-Y167 PolarHBondContact N-O 3Å; F158-Y167 PolarHBondContact O-N 3.47Å; V160-Y167 HydrophobicContact CG2-CD2 4.13Å; V160-Y167 HydrophobicContact CG2-CE2 3.86Å; R165-Y167 HydrophobicContact CB-CE2 4.07Å; R165-Y167 VanDerWaalsContact CD-OH 3.28Å; R165-Y167 WeakPolarHBondContact CD-OH 3.42Å; Y167-H203 HydrophobicContact CE1-CB 4.3Å; Y167-H203 AromaticContact CE1-ND1 3.56Å; Y167-S204 CarbonylContact C-O 3.58Å; Y167-S204 VanDerWaalsContact CA-O 3.31Å; Y167-S204 WeakPolarHBondContact CA-O 3.27Å; Y167-F206 HydrophobicContact CD1-CE2 4.45Å
168	L	98.9	Very high	97.9	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	124.8	172.8	177.3	65.6	0	0	0	108.8	L145 M155 F156 L157 L186 I202 S204 I205 F206 F401 L405	L145-L168 HydrophobicContact CD1-CD1 4.42Å; M155-L168 HydrophobicContact CB-CD1 4.24Å; F156-L168 CarbonylContact O-C 3.53Å; F156-L168 WeakPolarHBondContact O-CA 3.5Å; L157-L168 HydrophobicContact CB-CD1 4.43Å; L157-L168 HydrophobicContact CD1-CB 4.07Å; L157-L168 HydrophobicContact CD1-CD1 4.03Å; L168-L186 HydrophobicContact CD1-CD2 4.36Å; L168-L186 HydrophobicContact CD2-CD1 4.44Å; L168-L186 HydrophobicContact CD2-CD2 4.08Å; L168-I202 HydrophobicContact CB-CD1 4.22Å; L168-I202 HydrophobicContact CB-CG2 4.08Å; L168-I202 HydrophobicContact CD2-CD1 4.27Å; L168-S204 PolarHBondContact N-O 3.23Å; L168-I205 HydrophobicContact CB-CG1 4.17Å; L168-I205 HydrophobicContact CD2-CD1 4.17Å; L168-I205 HydrophobicContact CD2-CG1 4.38Å; L168-I205 HydrophobicContact CD2-CG2 4.45Å; L168-I205 CarbonylContact O-C 3.44Å; L168-I205 VanDerWaalsContact O-CA 3.24Å; L168-I205 WeakPolarHBondContact O-CA 3.3Å; L168-F206 PolarHBondContact O-N 3.3Å; L168-F401 HydrophobicContact CD2-CE1 4.37Å; L168-F401 HydrophobicContact CD2-CZ 3.89Å; L168-L405 HydrophobicContact CD2-CD2 3.9Å
169	H	98.9	Very high	97.8	Very high	7 Å²	7	38.3 Å²	38.3	3%	0.032	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	118.8	170.2	-167.9	-69.1	0	0	0	109.1	I64 V71 M155 F156 F158 G171 F206	I64-H169 HydrophobicContact CD1-CB 4.39Å; V71-H169 HydrophobicContact CG2-CB 4.47Å; M155-H169 CarbonylContact C-O 3.58Å; M155-H169 WeakPolarHBondContact CA-O 3.46Å; M155-H169 WeakPolarHBondContact CB-O 3.43Å; F156-H169 PolarHBondContact N-O 2.81Å; F156-H169 PolarHBondContact O-N 2.85Å; F158-H169 HydrophobicContact CE2-CB 4.07Å; H169-G171 VanDerWaalsContact C-N 3.3Å; H169-G171 PolarHBondContact ND1-N 3.26Å; H169-G171 PolarHBondContact O-N 3.24Å; H169-F206 HydrophobicContact CB-CB 4.18Å; H169-F206 WeakPolarHBondContact CD2-CB 3.29Å; H169-F206 AromaticContact CD2-CG 3.79Å
170	T	98.8	Very high	97.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.187	C	C	.	.			trans	-75.6	-23.1	-175.9	61.3	0	0	0	0	112.6	M155 F173 I205 F206 L207 D208 F401	M155-T170 WeakPolarHBondContact CG-O 3.25Å; M155-T170 HydrophobicContact SD-CG2 4.28Å; T170-F173 HydrophobicContact CG2-CD1 4.13Å; T170-F173 HydrophobicContact CG2-CE1 4.1Å; T170-F173 HydrophobicContact CG2-CG 4.39Å; T170-F173 HydrophobicContact CG2-CZ 4.31Å; T170-I205 HydrophobicContact CG2-CG2 3.98Å; T170-F206 PolarHBondContact N-O 3.41Å; T170-F206 PolarHBondContact OG1-O 3.03Å; T170-L207 HydrophobicContact CG2-CD1 4.04Å; T170-D208 PolarHBondContact OG1-N 3.3Å; T170-F401 HydrophobicContact CG2-CE1 4.15Å
171	G	98.5	Very high	97.5	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.01	21%	0.208	C	C	.	.			trans	56.8	-153.5	-157.9	0	0	0	0	0	108.6	H169 D208	H169-G171 VanDerWaalsContact C-N 3.3Å; H169-G171 PolarHBondContact ND1-N 3.26Å; H169-G171 PolarHBondContact O-N 3.24Å; G171-D208 WeakPolarHBondContact O-CB 3.31Å
172	D	98.4	Very high	97	Very high	12 Å²	12	43.1 Å²	43.1	6%	0.064	23%	0.226	C	C	.	.	S	Bend	trans	-81	131.8	163.7	-65.1	-2.7	0	0	0	108.5	H89 H94 H149 H392	H89-D172 IonicContact CE1-OD2 3.87Å; H89-D172 PolarHBondContact CE1-OD2 3.48Å; H89-D172 IonicContact NE2-OD2 2.92Å; H89-D172 PolarHBondContact NE2-OD2 3.16Å; H94-D172 IonicContact CD2-OD2 2.69Å; H94-D172 IonicContact CE1-OD1 3.2Å; H94-D172 PolarHBondContact CE1-OD1 3.23Å; H94-D172 IonicContact CE1-OD2 3.33Å; H94-D172 IonicContact NE2-OD1 3.87Å; H94-D172 IonicContact NE2-OD2 3.5Å; H94-D172 PolarHBondContact NE2-OD2 3.11Å; H149-D172 WeakPolarHBondContact CB-O 3.03Å; D172-H392 VanDerWaalsContact CG-CE1 3.47Å; D172-H392 IonicContact OD2-CE1 3.47Å; D172-H392 PolarHBondContact OD2-CE1 2.92Å; D172-H392 VanDerWaalsContact OD2-CE1 3.27Å
173	F	98.5	Very high	96.8	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.23	C	C	.	.			trans	-150.1	151.7	-170.9	93	-61	0	0	0	114	A147 M155 T170 M179 L207 D208 E391 H392 S393 L398 F401	A147-F173 HydrophobicContact CB-CB 3.86Å; A147-F173 VanDerWaalsContact O-CA 3.24Å; A147-F173 WeakPolarHBondContact O-CA 3.39Å; A147-F173 VanDerWaalsContact O-CB 3.31Å; A147-F173 WeakPolarHBondContact O-CB 3.2Å; M155-F173 HydrophobicContact SD-CD2 3.98Å; M155-F173 HydrophobicContact SD-CG 4.49Å; T170-F173 HydrophobicContact CG2-CD1 4.13Å; T170-F173 HydrophobicContact CG2-CE1 4.1Å; T170-F173 HydrophobicContact CG2-CG 4.39Å; T170-F173 HydrophobicContact CG2-CZ 4.31Å; F173-M179 HydrophobicContact CD2-SD 4.28Å; F173-L207 HydrophobicContact CE1-CD1 3.75Å; F173-L207 HydrophobicContact CZ-CD1 3.99Å; F173-D208 HydrophobicContact CD1-CB 4.15Å; F173-D208 PolarHBondContact N-OD2 2.86Å; F173-E391 CarbonylContact C-O 3.51Å; F173-H392 CarbonylContact O-C 3.54Å; F173-H392 VanDerWaalsContact O-CA 3.29Å; F173-H392 WeakPolarHBondContact O-CA 3.3Å; F173-S393 WeakPolarHBondContact CZ-OG 3.38Å; F173-S393 PolarHBondContact O-N 3.35Å; F173-S393 PolarHBondContact O-OG 2.62Å; F173-L398 HydrophobicContact CE1-CD2 3.7Å; F173-L398 HydrophobicContact CZ-CD2 4.03Å; F173-F401 AromaticContact CE2-CD1 3.97Å; F173-F401 HydrophobicContact CE2-CD1 3.97Å; F173-F401 HydrophobicContact CE2-CD2 4.28Å; F173-F401 HydrophobicContact CE2-CE1 4.01Å; F173-F401 HydrophobicContact CE2-CE2 4.31Å; F173-F401 HydrophobicContact CE2-CG 4.1Å; F173-F401 HydrophobicContact CE2-CZ 4.17Å; F173-F401 AromaticContact CZ-CD1 3.7Å; F173-F401 HydrophobicContact CZ-CD1 3.7Å; F173-F401 AromaticContact CZ-CE1 3.97Å; F173-F401 HydrophobicContact CZ-CE1 3.97Å; F173-F401 HydrophobicContact CZ-CG 4.1Å
174	R	98.1	Very high	96.6	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.008	21%	0.211	C	C	.	.			trans	-114.9	105.6	169.9	-178.9	64.2	179.6	-130.4	21.3	110.1	A147 N148 T176 M179 P219 S390 E391 H392 S393 E397	A147-R174 PolarHBondContact O-N 2.91Å; N148-R174 HydrophobicContact CB-CB 4.48Å; N148-R174 WeakPolarHBondContact CB-O 3.49Å; N148-R174 PolarHBondContact ND2-O 2.83Å; N148-R174 WeakPolarHBondContact O-CB 3.29Å; R174-T176 PolarHBondContact O-N 2.95Å; R174-M179 VanDerWaalsContact O-CE 3.26Å; R174-M179 WeakPolarHBondContact O-CE 3.43Å; R174-P219 PolarHBondContact NH2-O 2.88Å; R174-S390 PolarHBondContact NH1-O 2.79Å; R174-E391 WeakPolarHBondContact CB-O 3.25Å; R174-E391 PolarHBondContact N-O 3.15Å; R174-H392 VanDerWaalsContact CD-O 3.27Å; R174-H392 WeakPolarHBondContact CD-O 3.48Å; R174-H392 PolarHBondContact NH1-O 2.84Å; R174-S393 WeakPolarHBondContact CA-OG 3.21Å; R174-E397 VanDerWaalsContact CD-OE2 3.26Å; R174-E397 WeakPolarHBondContact CD-OE2 3.43Å; R174-E397 IonicContact CZ-OE1 2.99Å; R174-E397 IonicContact CZ-OE2 2.99Å; R174-E397 IonicContact NE-OE1 2.78Å; R174-E397 PolarHBondContact NE-OE1 2.93Å; R174-E397 IonicContact NE-OE2 3.3Å; R174-E397 PolarHBondContact NE-OE2 3.23Å; R174-E397 IonicContact NH2-OE1 2.72Å; R174-E397 PolarHBondContact NH2-OE1 3.48Å; R174-E397 IonicContact NH2-OE2 2.96Å; R174-E397 PolarHBondContact NH2-OE2 2.7Å; R174-E397 VanDerWaalsContact NH2-OE2 3.1Å
175	Y	98.5	Very high	96.5	Very high	19 Å²	19	34.2 Å²	34.2	8%	0.075	19%	0.188	C	C	.	.			trans	-57.6	136.1	177.5	169.9	-115.7	0	0	0	111.8	M179 L180 S393 E397 Q400 F401	Y175-M179 HydrophobicContact CD2-CB 4.38Å; Y175-M179 HydrophobicContact CD2-SD 4.16Å; Y175-M179 HydrophobicContact CE2-CB 4.42Å; Y175-L180 HydrophobicContact CE2-CD1 3.8Å; Y175-L180 HydrophobicContact CE2-CG 3.91Å; Y175-S393 PolarHBondContact N-OG 3.37Å; Y175-E397 HydrophobicContact CD1-CB 3.95Å; Y175-E397 HydrophobicContact CD1-CG 4.23Å; Y175-E397 WeakPolarHBondContact CD1-O 3.48Å; Y175-Q400 HydrophobicContact CD1-CB 4.49Å; Y175-Q400 HydrophobicContact CE1-CB 3.84Å; Y175-F401 HydrophobicContact CD1-CB 4.33Å; Y175-F401 HydrophobicContact CD2-CB 3.92Å; Y175-F401 AromaticContact CD2-CD2 3.4Å; Y175-F401 HydrophobicContact CD2-CD2 3.4Å; Y175-F401 HydrophobicContact CD2-CE2 4.27Å; Y175-F401 HydrophobicContact CD2-CG 4.04Å; Y175-F401 HydrophobicContact CE2-CB 4.3Å; Y175-F401 AromaticContact CE2-CD2 3.74Å; Y175-F401 HydrophobicContact CE2-CD2 3.74Å; Y175-F401 HydrophobicContact CG-CB 3.92Å; Y175-F401 HydrophobicContact CG-CD2 4.19Å; Y175-F401 HydrophobicContact CG-CG 4.41Å
176	T	96.8	Very high	96.4	Very high	37 Å²	37	29.7 Å²	29.7	23%	0.227	17%	0.171	C	C	.	.			trans	-128.6	149.3	165.1	59.1	0	0	0	0	109	N148 R174 S178 M179	N148-T176 VanDerWaalsContact ND2-CG2 3.31Å; N148-T176 WeakPolarHBondContact ND2-CG2 3.43Å; R174-T176 PolarHBondContact O-N 2.95Å; T176-S178 PolarHBondContact O-N 3.44Å; T176-S178 PolarHBondContact OG1-OG 3.03Å; T176-M179 WeakPolarHBondContact O-CB 3.44Å; T176-M179 PolarHBondContact O-N 3.33Å
177	P	95.9	Very high	96.1	Very high	86 Å²	86	30 Å²	30	56%	0.558	17%	0.173	S	C	*	.	G	3₁₀ helix	trans	-53.2	-31.5	176.7	-28.5	36	0	0	0	113.9	M179 L180 T181	P177-M179 PolarHBondContact O-N 3.4Å; P177-L180 CarbonylContact O-C 3.57Å; P177-L180 PolarHBondContact O-N 2.93Å; P177-T181 WeakPolarHBondContact O-CG2 3.48Å; P177-T181 PolarHBondContact O-N 3.34Å; P177-T181 PolarHBondContact O-OG1 2.9Å
178	S	95.4	Very high	95.9	Very high	47 Å²	47	33.4 Å²	33.4	33%	0.329	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-57.8	-30.3	178.4	57.2	0	0	0	0	113.4	T176 L180 T181	T176-S178 PolarHBondContact O-N 3.44Å; T176-S178 PolarHBondContact OG1-OG 3.03Å; S178-L180 PolarHBondContact O-N 3.46Å; S178-T181 WeakPolarHBondContact CA-OG1 2.95Å; S178-T181 PolarHBondContact O-N 3.46Å; S178-T181 PolarHBondContact O-OG1 3.12Å
179	M	97.4	Very high	95.7	Very high	16 Å²	16	34.3 Å²	34.3	8%	0.079	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-61.6	-24	175.6	-64.6	179.9	176.6	0	0	112.8	N148 M155 F173 R174 Y175 T176 P177 S184 L186	N148-M179 HydrophobicContact CB-CE 3.63Å; M155-M179 HydrophobicContact CE-CE 4.27Å; M155-M179 HydrophobicContact CE-SD 3.87Å; F173-M179 HydrophobicContact CD2-SD 4.28Å; R174-M179 VanDerWaalsContact O-CE 3.26Å; R174-M179 WeakPolarHBondContact O-CE 3.43Å; Y175-M179 HydrophobicContact CD2-CB 4.38Å; Y175-M179 HydrophobicContact CD2-SD 4.16Å; Y175-M179 HydrophobicContact CE2-CB 4.42Å; T176-M179 WeakPolarHBondContact O-CB 3.44Å; T176-M179 PolarHBondContact O-N 3.33Å; P177-M179 PolarHBondContact O-N 3.4Å; M179-S184 VanDerWaalsContact O-CB 3.26Å; M179-S184 WeakPolarHBondContact O-CB 3.43Å; M179-S184 PolarHBondContact O-OG 3.29Å; M179-L186 WeakPolarHBondContact O-CB 3.28Å
180	L	95.9	Very high	95.3	Very high	5 Å²	5	34 Å²	34	3%	0.026	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-120.7	20.7	-177.5	-60.3	-177	0	0	0	112.9	Y175 P177 S178 L186 I190 F401 R404 L405	Y175-L180 HydrophobicContact CE2-CD1 3.8Å; Y175-L180 HydrophobicContact CE2-CG 3.91Å; P177-L180 CarbonylContact O-C 3.57Å; P177-L180 PolarHBondContact O-N 2.93Å; S178-L180 PolarHBondContact O-N 3.46Å; L180-L186 HydrophobicContact CD2-CB 3.82Å; L180-L186 HydrophobicContact CD2-CD1 4Å; L180-I190 HydrophobicContact CB-CD1 3.91Å; L180-I190 HydrophobicContact CD2-CD1 4.11Å; L180-I190 HydrophobicContact CG-CD1 4.49Å; L180-F401 HydrophobicContact CD1-CD2 3.8Å; L180-F401 HydrophobicContact CD1-CE2 4.33Å; L180-F401 HydrophobicContact CD2-CD2 4.32Å; L180-F401 HydrophobicContact CD2-CE2 4.02Å; L180-F401 HydrophobicContact CG-CD2 4.15Å; L180-F401 HydrophobicContact CG-CE2 4.28Å; L180-R404 HydrophobicContact CB-CG 4.27Å; L180-R404 HydrophobicContact CD1-CB 3.73Å; L180-R404 HydrophobicContact CD1-CG 3.64Å; L180-L405 HydrophobicContact CD1-CB 4.33Å; L180-L405 HydrophobicContact CD2-CB 4.2Å; L180-L405 HydrophobicContact CD2-CD1 4.02Å; L180-L405 HydrophobicContact CD2-CD2 4.22Å; L180-L405 HydrophobicContact CD2-CG 4.39Å
181	T	93.2	Very high	94.3	Very high	72 Å²	72	37.7 Å²	37.7	44%	0.442	22%	0.219	S	C	.	.	S	Bend	trans	-125.7	150.7	172.7	58.7	0	0	0	0	110.8	P177 S178 S184	P177-T181 WeakPolarHBondContact O-CG2 3.48Å; P177-T181 PolarHBondContact O-N 3.34Å; P177-T181 PolarHBondContact O-OG1 2.9Å; S178-T181 WeakPolarHBondContact CA-OG1 2.95Å; S178-T181 PolarHBondContact O-N 3.46Å; S178-T181 PolarHBondContact O-OG1 3.12Å; T181-S184 VanDerWaalsContact O-CB 3.25Å; T181-S184 WeakPolarHBondContact O-CB 3.33Å; T181-S184 PolarHBondContact O-N 2.94Å
182	H	88.7	Confident	92.9	Very high	151 Å²	151	41.4 Å²	41.4	70%	0.699	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.8	139.1	178.5	-76.5	-69.7	0	0	0	110.7	T187	H182-T187 PolarHBondContact CE1-OG1 3.19Å; H182-T187 PolarHBondContact ND1-OG1 3.21Å
183	P	92	Very high	90.9	Very high	106 Å²	106	49.4 Å²	49.4	69%	0.688	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	cis	-92.5	11.6	13.9	37.1	-37	0	0	0	116.3	I185	P183-I185 PolarHBondContact O-N 3.45Å
184	S	93.4	Very high	89.1	Confident	13 Å²	13	52.7 Å²	52.7	9%	0.091	30%	0.304	C	S	.	.			trans	-51.5	135.5	-176.9	170.8	0	0	0	0	113.1	M179 T181 L186 T187	M179-S184 VanDerWaalsContact O-CB 3.26Å; M179-S184 WeakPolarHBondContact O-CB 3.43Å; M179-S184 PolarHBondContact O-OG 3.29Å; T181-S184 VanDerWaalsContact O-CB 3.25Å; T181-S184 WeakPolarHBondContact O-CB 3.33Å; T181-S184 PolarHBondContact O-N 2.94Å; S184-L186 PolarHBondContact O-N 3.46Å; S184-L186 PolarHBondContact OG-N 3.2Å; S184-T187 PolarHBondContact O-N 2.61Å; S184-T187 VanDerWaalsContact O-N 3.11Å; S184-T187 PolarHBondContact O-OG1 3.41Å
185	I	94	Very high	87.2	Confident	39 Å²	39	57.7 Å²	57.7	20%	0.2	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-58.4	-30.5	176.8	-65.6	175.1	0	0	0	112	E132 T143 L145 L157 P183 T187 N188	E132-I185 HydrophobicContact CB-CD1 3.86Å; E132-I185 HydrophobicContact CG-CD1 3.99Å; T143-I185 HydrophobicContact CG2-CD1 3.73Å; L145-I185 HydrophobicContact CD2-CB 4.38Å; L145-I185 HydrophobicContact CD2-CD1 4.27Å; L157-I185 HydrophobicContact CD2-CG2 4.28Å; P183-I185 PolarHBondContact O-N 3.45Å; I185-T187 PolarHBondContact O-N 2.79Å; I185-N188 WeakPolarHBondContact O-CB 3.27Å; I185-N188 PolarHBondContact O-N 3.2Å; I185-N188 PolarHBondContact O-ND2 2.83Å
186	L	95.7	Very high	85.3	Confident	1 Å²	1	61 Å²	61	1%	0.005	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-64.4	-21.9	-179.4	-65.8	179.5	0	0	0	112.6	L145 M155 L157 L168 M179 L180 S184 N188 Y189 I202 F401 L405	L145-L186 HydrophobicContact CD1-CD1 4.09Å; L145-L186 HydrophobicContact CD1-CD2 3.8Å; L145-L186 HydrophobicContact CD1-CG 3.77Å; M155-L186 HydrophobicContact CE-CD1 4.36Å; L157-L186 HydrophobicContact CD1-CD2 4.35Å; L168-L186 HydrophobicContact CD1-CD2 4.36Å; L168-L186 HydrophobicContact CD2-CD1 4.44Å; L168-L186 HydrophobicContact CD2-CD2 4.08Å; M179-L186 WeakPolarHBondContact O-CB 3.28Å; L180-L186 HydrophobicContact CD2-CB 3.82Å; L180-L186 HydrophobicContact CD2-CD1 4Å; S184-L186 PolarHBondContact O-N 3.46Å; S184-L186 PolarHBondContact OG-N 3.2Å; L186-N188 PolarHBondContact O-N 3.23Å; L186-Y189 PolarHBondContact O-N 3.18Å; L186-Y189 VanDerWaalsContact O-N 3.1Å; L186-I202 HydrophobicContact CD2-CD1 4.14Å; L186-F401 HydrophobicContact CD1-CE2 4.16Å; L186-F401 HydrophobicContact CD1-CZ 4.37Å; L186-L405 HydrophobicContact CB-CD1 4.43Å; L186-L405 HydrophobicContact CD1-CD2 4.48Å
187	T	93.1	Very high	83.5	Confident	14 Å²	14	69.7 Å²	69.7	9%	0.086	41%	0.406	C	S	.	.	G	3₁₀ helix	trans	-63.5	-26.1	177.3	62.8	0	0	0	0	113.2	H182 S184 I185 Y189 I190	H182-T187 PolarHBondContact CE1-OG1 3.19Å; H182-T187 PolarHBondContact ND1-OG1 3.21Å; S184-T187 PolarHBondContact O-N 2.61Å; S184-T187 VanDerWaalsContact O-N 3.11Å; S184-T187 PolarHBondContact O-OG1 3.41Å; I185-T187 PolarHBondContact O-N 2.79Å; T187-Y189 PolarHBondContact O-N 3.08Å; T187-Y189 VanDerWaalsContact O-N 3.15Å; T187-I190 HydrophobicContact CG2-CD1 4.43Å; T187-I190 PolarHBondContact O-N 3.2Å; T187-I190 VanDerWaalsContact O-N 3.16Å
188	N	93	Very high	82.5	Confident	73 Å²	73	69 Å²	69	39%	0.39	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-64.9	-16.8	176.9	-62.9	-41	0	0	0	113.3	I185 L186 L199	I185-N188 WeakPolarHBondContact O-CB 3.27Å; I185-N188 PolarHBondContact O-N 3.2Å; I185-N188 PolarHBondContact O-ND2 2.83Å; L186-N188 PolarHBondContact O-N 3.23Å; N188-L199 HydrophobicContact CB-CD1 3.9Å; N188-L199 HydrophobicContact CB-CG 4.36Å; N188-L199 PolarHBondContact O-N 2.87Å
189	Y	94.4	Very high	82.1	Confident	19 Å²	19	70.8 Å²	70.8	8%	0.075	40%	0.4	C	S	.	.	G	3₁₀ helix	trans	-100.4	-4.9	179.9	-64.5	-85.3	0	0	0	113.5	L157 T166 L186 T187 L199 P200 I202	L157-Y189 HydrophobicContact CD2-CE2 3.67Å; T166-Y189 HydrophobicContact CG2-CE1 3.89Å; L186-Y189 PolarHBondContact O-N 3.18Å; L186-Y189 VanDerWaalsContact O-N 3.1Å; T187-Y189 PolarHBondContact O-N 3.08Å; T187-Y189 VanDerWaalsContact O-N 3.15Å; Y189-L199 HydrophobicContact CD1-CB 4.03Å; Y189-L199 HydrophobicContact CD1-CD1 4.47Å; Y189-L199 HydrophobicContact CD2-CD1 4.5Å; Y189-L199 HydrophobicContact CE1-CB 3.88Å; Y189-L199 HydrophobicContact CE1-CD1 3.81Å; Y189-L199 HydrophobicContact CE2-CD1 3.86Å; Y189-L199 VanDerWaalsContact CZ-CD1 3.46Å; Y189-P200 VanDerWaalsContact CD1-O 3.27Å; Y189-P200 WeakPolarHBondContact CD1-O 3.06Å; Y189-I202 HydrophobicContact CD1-CD1 4.35Å; Y189-I202 HydrophobicContact CD1-CG1 3.51Å; Y189-I202 HydrophobicContact CD2-CD1 4.35Å; Y189-I202 HydrophobicContact CD2-CG1 4.36Å; Y189-I202 HydrophobicContact CE1-CG1 4.16Å; Y189-I202 HydrophobicContact CG-CD1 4.01Å; Y189-I202 HydrophobicContact CG-CG1 3.64Å
190	I	91.3	Very high	81.8	Confident	2 Å²	2	74.3 Å²	74.3	1%	0.01	42%	0.424	C	S	.	.			trans	-87.4	125.4	-176	-55.4	172.4	0	0	0	110.7	L180 T187 D192 K198 R404 L405	L180-I190 HydrophobicContact CB-CD1 3.91Å; L180-I190 HydrophobicContact CD2-CD1 4.11Å; L180-I190 HydrophobicContact CG-CD1 4.49Å; T187-I190 HydrophobicContact CG2-CD1 4.43Å; T187-I190 PolarHBondContact O-N 3.2Å; T187-I190 VanDerWaalsContact O-N 3.16Å; I190-D192 PolarHBondContact O-N 3.11Å; I190-K198 PolarHBondContact O-NZ 3.01Å; I190-R404 HydrophobicContact CD1-CG 4.3Å; I190-R404 VanDerWaalsContact CG2-O 3.3Å; I190-R404 WeakPolarHBondContact CG2-O 3.22Å; I190-L405 HydrophobicContact CG1-CD1 3.96Å
191	S	77.5	Confident	81.7	Confident	77 Å²	77	78.2 Å²	78.2	54%	0.538	44%	0.439	S	S	.	.			trans	-71	111.6	170.1	-57.4	0	0	0	0	109.3
192	D	68.7	Low	82	Confident	78 Å²	78	74.8 Å²	74.8	42%	0.417	42%	0.418	S	S	.	.			trans	-135.6	163.2	161	75.9	38.1	0	0	0	107.5	I190 S194 K198	I190-D192 PolarHBondContact O-N 3.11Å; D192-S194 PolarHBondContact O-N 3.17Å; D192-S194 WeakPolarHBondContact OD1-CA 3.41Å; D192-S194 WeakPolarHBondContact OD1-CB 3.28Å; D192-S194 PolarHBondContact OD1-N 3.07Å; D192-K198 VanDerWaalsContact N-NZ 3.11Å; D192-K198 PolarHBondContact O-NZ 2.7Å; D192-K198 IonicContact OD1-NZ 3.52Å; D192-K198 PolarHBondContact OD1-NZ 2.61Å; D192-K198 IonicContact OD2-NZ 2.82Å; D192-K198 PolarHBondContact OD2-NZ 2.95Å
193	N	57.7	Low	82.4	Confident	181 Å²	181	69.3 Å²	69.3	97%	0.968	39%	0.392	S	S	*	.	S	Bend	trans	-68.3	7.9	-173.9	-66.8	-21.6	0	0	0	114.8
194	S	59.7	Low	82.7	Confident	68 Å²	68	64.3 Å²	64.3	48%	0.476	36%	0.36	S	S	.	.			trans	-77.2	133.6	178.4	-166.8	0	0	0	0	112.3	D192 S196	D192-S194 PolarHBondContact O-N 3.17Å; D192-S194 WeakPolarHBondContact OD1-CA 3.41Å; D192-S194 WeakPolarHBondContact OD1-CB 3.28Å; D192-S194 PolarHBondContact OD1-N 3.07Å; S194-S196 PolarHBondContact O-N 3.44Å; S194-S196 VanDerWaalsContact O-N 3.15Å
195	A	57.9	Low	83	Confident	108 Å²	108	63.7 Å²	63.7	89%	0.893	36%	0.356	S	S	*	.			trans	-72.5	-0	-168.9	0	0	0	0	0	115.9
196	S	59	Low	83.2	Confident	87 Å²	87	62.2 Å²	62.2	61%	0.608	35%	0.348	S	S	*	.	S	Bend	trans	-66.6	145.9	178.3	-60.8	0	0	0	0	111.6	S194 K198	S194-S196 PolarHBondContact O-N 3.44Å; S194-S196 VanDerWaalsContact O-N 3.15Å; S196-K198 WeakPolarHBondContact O-CG 3.22Å; S196-K198 PolarHBondContact O-N 3.08Å
197	K	59.9	Low	83.3	Confident	220 Å²	220	62.2 Å²	62.2	96%	0.957	35%	0.348	S	S	*	.			trans	-63.6	91.7	179.7	-162.9	-179.1	-172.4	-179.5	0	110.7
198	K	73.8	Confident	83.5	Confident	72 Å²	72	61.6 Å²	61.6	31%	0.313	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-86.7	154.5	-175.4	-75.9	173.4	-176.5	-169.6	0	113.1	I190 D192 S196	I190-K198 PolarHBondContact O-NZ 3.01Å; D192-K198 VanDerWaalsContact N-NZ 3.11Å; D192-K198 PolarHBondContact O-NZ 2.7Å; D192-K198 IonicContact OD1-NZ 3.52Å; D192-K198 PolarHBondContact OD1-NZ 2.61Å; D192-K198 IonicContact OD2-NZ 2.82Å; D192-K198 PolarHBondContact OD2-NZ 2.95Å; S196-K198 WeakPolarHBondContact O-CG 3.22Å; S196-K198 PolarHBondContact O-N 3.08Å
199	L	87.3	Confident	83.6	Confident	84 Å²	84	58.4 Å²	58.4	44%	0.44	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-73.2	152.5	175.2	-63.9	175.6	0	0	0	110.4	N188 Y189	N188-L199 HydrophobicContact CB-CD1 3.9Å; N188-L199 HydrophobicContact CB-CG 4.36Å; N188-L199 PolarHBondContact O-N 2.87Å; Y189-L199 HydrophobicContact CD1-CB 4.03Å; Y189-L199 HydrophobicContact CD1-CD1 4.47Å; Y189-L199 HydrophobicContact CD2-CD1 4.5Å; Y189-L199 HydrophobicContact CE1-CB 3.88Å; Y189-L199 HydrophobicContact CE1-CD1 3.81Å; Y189-L199 HydrophobicContact CE2-CD1 3.86Å; Y189-L199 VanDerWaalsContact CZ-CD1 3.46Å
200	P	91.7	Very high	83.6	Confident	91 Å²	91	59.1 Å²	59.1	59%	0.591	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-54.2	148.8	169.5	-23.3	33.5	0	0	0	111.1	Y189	Y189-P200 VanDerWaalsContact CD1-O 3.27Å; Y189-P200 WeakPolarHBondContact CD1-O 3.06Å
201	R	94.4	Very high	83.6	Confident	86 Å²	86	59.3 Å²	59.3	33%	0.325	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-49.8	143.8	174.4	-71.8	172.3	61.7	178.8	3.1	110.7	H203 H406 P407 V408	R201-H203 PolarHBondContact O-N 2.61Å; R201-H406 PolarHBondContact NE-O 2.82Å; R201-H406 PolarHBondContact NH1-CE1 3.45Å; R201-H406 VanDerWaalsContact NH1-CE1 3.29Å; R201-H406 PolarHBondContact NH1-ND1 3.11Å; R201-H406 PolarHBondContact NH2-CE1 3.41Å; R201-H406 PolarHBondContact NH2-ND1 3.27Å; R201-H406 VanDerWaalsContact NH2-ND1 3.11Å; R201-H406 PolarHBondContact NH2-O 3.43Å; R201-P407 PolarHBondContact NH2-O 3.31Å; R201-V408 HydrophobicContact CB-CG2 4.14Å
202	I	97.7	Very high	84.3	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-56.1	125.4	170.3	-63.8	176.9	0	0	0	108	L157 T166 L168 L186 Y189 I205 L405 P407 V408	L157-I202 HydrophobicContact CD1-CD1 4.06Å; T166-I202 HydrophobicContact CG2-CG1 4.34Å; T166-I202 WeakPolarHBondContact O-CG2 3.47Å; L168-I202 HydrophobicContact CB-CD1 4.22Å; L168-I202 HydrophobicContact CB-CG2 4.08Å; L168-I202 HydrophobicContact CD2-CD1 4.27Å; L186-I202 HydrophobicContact CD2-CD1 4.14Å; Y189-I202 HydrophobicContact CD1-CD1 4.35Å; Y189-I202 HydrophobicContact CD1-CG1 3.51Å; Y189-I202 HydrophobicContact CD2-CD1 4.35Å; Y189-I202 HydrophobicContact CD2-CG1 4.36Å; Y189-I202 HydrophobicContact CE1-CG1 4.16Å; Y189-I202 HydrophobicContact CG-CD1 4.01Å; Y189-I202 HydrophobicContact CG-CG1 3.64Å; I202-I205 HydrophobicContact CG2-CG1 4.01Å; I202-L405 HydrophobicContact CD1-CD1 4.02Å; I202-L405 HydrophobicContact CD1-CD2 3.92Å; I202-L405 HydrophobicContact CD1-CG 4.12Å; I202-P407 HydrophobicContact CB-CB 4.3Å; I202-P407 HydrophobicContact CG2-CB 4.47Å; I202-P407 CarbonylContact O-C 3.51Å; I202-P407 WeakPolarHBondContact O-CA 3.14Å; I202-P407 WeakPolarHBondContact O-CB 3.41Å; I202-V408 PolarHBondContact O-N 3.4Å
203	H	98.2	Very high	85.3	Confident	37 Å²	37	54.4 Å²	54.4	17%	0.171	31%	0.306	C	S	.	.	S	Bend	trans	-68	-51.1	-176.1	-177.5	-83.4	0	0	0	110.5	R165 T166 Y167 R201 V408 Q409	R165-H203 HydrophobicContact CB-CB 4.17Å; R165-H203 HydrophobicContact CG-CB 4.16Å; R165-H203 PolarHBondContact NE-NE2 3.04Å; T166-H203 WeakPolarHBondContact O-CA 3.28Å; T166-H203 WeakPolarHBondContact O-CB 3.32Å; T166-H203 PolarHBondContact O-N 2.8Å; Y167-H203 HydrophobicContact CE1-CB 4.3Å; Y167-H203 AromaticContact CE1-ND1 3.56Å; R201-H203 PolarHBondContact O-N 2.61Å; H203-V408 WeakPolarHBondContact O-CB 3.25Å; H203-Q409 VanDerWaalsContact O-CG 3.28Å; H203-Q409 WeakPolarHBondContact O-CG 3.4Å; H203-Q409 PolarHBondContact O-N 3.38Å
204	S	98.4	Very high	86.8	Confident	1 Å²	1	49.1 Å²	49.1	1%	0.007	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	139.2	175.8	-44.4	0	0	0	0	112.7	T166 Y167 L168 Q409	T166-S204 PolarHBondContact O-N 3.37Å; Y167-S204 CarbonylContact C-O 3.58Å; Y167-S204 VanDerWaalsContact CA-O 3.31Å; Y167-S204 WeakPolarHBondContact CA-O 3.27Å; L168-S204 PolarHBondContact N-O 3.23Å; S204-Q409 WeakPolarHBondContact CA-O 3.43Å; S204-Q409 WeakPolarHBondContact OG-CG 3.34Å; S204-Q409 PolarHBondContact OG-NE2 3.41Å
205	I	98.6	Very high	88	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	123.8	166.4	-56.9	-173.4	0	0	0	108.8	L168 T170 I202 L207 F401 I402 L405 P407 Q409 V410 Q411	L168-I205 HydrophobicContact CB-CG1 4.17Å; L168-I205 HydrophobicContact CD2-CD1 4.17Å; L168-I205 HydrophobicContact CD2-CG1 4.38Å; L168-I205 HydrophobicContact CD2-CG2 4.45Å; L168-I205 CarbonylContact O-C 3.44Å; L168-I205 VanDerWaalsContact O-CA 3.24Å; L168-I205 WeakPolarHBondContact O-CA 3.3Å; T170-I205 HydrophobicContact CG2-CG2 3.98Å; I202-I205 HydrophobicContact CG2-CG1 4.01Å; I205-L207 HydrophobicContact CG2-CB 4.13Å; I205-L207 HydrophobicContact CG2-CD1 4.33Å; I205-L207 PolarHBondContact O-N 3.47Å; I205-F401 HydrophobicContact CD1-CE1 4.29Å; I205-I402 HydrophobicContact CD1-CD1 3.92Å; I205-I402 HydrophobicContact CG2-CD1 4.47Å; I205-L405 HydrophobicContact CD1-CD2 3.6Å; I205-L405 HydrophobicContact CD1-CG 4.19Å; I205-P407 HydrophobicContact CB-CG 4.42Å; I205-P407 HydrophobicContact CD1-CB 3.78Å; I205-P407 HydrophobicContact CD1-CG 3.55Å; I205-P407 HydrophobicContact CG1-CB 3.61Å; I205-P407 HydrophobicContact CG1-CG 3.71Å; I205-Q409 PolarHBondContact N-O 3.21Å; I205-Q409 VanDerWaalsContact N-O 3.13Å; I205-V410 CarbonylContact O-C 3.2Å; I205-V410 WeakPolarHBondContact O-CA 3.32Å; I205-Q411 PolarHBondContact O-N 3.25Å
206	F	98.6	Very high	89.5	Confident	8 Å²	8	47.5 Å²	47.5	4%	0.035	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	101.2	164.9	-65.6	-100.9	0	0	0	107.2	I64 P65 Y167 L168 H169 T170 Q411 T413	I64-F206 HydrophobicContact CD1-CD2 4.25Å; I64-F206 HydrophobicContact CD1-CE2 4.13Å; P65-F206 HydrophobicContact CG-CZ 4.03Å; Y167-F206 HydrophobicContact CD1-CE2 4.45Å; L168-F206 PolarHBondContact O-N 3.3Å; H169-F206 HydrophobicContact CB-CB 4.18Å; H169-F206 WeakPolarHBondContact CD2-CB 3.29Å; H169-F206 AromaticContact CD2-CG 3.79Å; T170-F206 PolarHBondContact N-O 3.41Å; T170-F206 PolarHBondContact OG1-O 3.03Å; F206-Q411 CarbonylContact C-O 3.48Å; F206-Q411 VanDerWaalsContact CA-O 3.3Å; F206-Q411 WeakPolarHBondContact CA-O 3.37Å; F206-Q411 HydrophobicContact CD1-CB 4.07Å; F206-Q411 HydrophobicContact CD1-CG 3.76Å; F206-Q411 HydrophobicContact CE1-CB 4.25Å; F206-Q411 HydrophobicContact CE1-CG 3.85Å; F206-Q411 HydrophobicContact CG-CB 4.48Å; F206-T413 HydrophobicContact CB-CG2 3.74Å; F206-T413 HydrophobicContact CD1-CG2 4.5Å
207	L	98.4	Very high	91	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	123.5	-164.2	-176.5	68.5	0	0	0	111.8	T170 F173 I205 T209 L398 F401 I402 V410 Q411 T413 V426	T170-L207 HydrophobicContact CG2-CD1 4.04Å; F173-L207 HydrophobicContact CE1-CD1 3.75Å; F173-L207 HydrophobicContact CZ-CD1 3.99Å; I205-L207 HydrophobicContact CG2-CB 4.13Å; I205-L207 HydrophobicContact CG2-CD1 4.33Å; I205-L207 PolarHBondContact O-N 3.47Å; L207-T209 HydrophobicContact CB-CG2 4.47Å; L207-T209 HydrophobicContact CD2-CG2 3.96Å; L207-T209 HydrophobicContact CG-CG2 4.1Å; L207-T209 PolarHBondContact O-N 2.96Å; L207-T209 PolarHBondContact O-OG1 2.83Å; L207-L398 HydrophobicContact CD1-CD2 3.98Å; L207-L398 HydrophobicContact CD2-CD2 4.37Å; L207-L398 HydrophobicContact CG-CD2 4.29Å; L207-F401 HydrophobicContact CD1-CD1 4.25Å; L207-F401 HydrophobicContact CD1-CE1 4.44Å; L207-I402 HydrophobicContact CD1-CD1 4.13Å; L207-I402 HydrophobicContact CD2-CD1 3.94Å; L207-I402 HydrophobicContact CD2-CG1 3.8Å; L207-V410 HydrophobicContact CB-CG1 3.57Å; L207-V410 HydrophobicContact CD2-CG1 3.84Å; L207-V410 HydrophobicContact CG-CG1 4.33Å; L207-Q411 PolarHBondContact N-O 3.39Å; L207-T413 PolarHBondContact O-N 2.91Å; L207-T413 PolarHBondContact O-OG1 3.02Å; L207-V426 HydrophobicContact CD2-CG1 4.24Å; L207-V426 HydrophobicContact CD2-CG2 4.33Å
208	D	97	Very high	92.5	Very high	1 Å²	1	36 Å²	36	1%	0.005	19%	0.189	C	C	.	.			trans	-59.7	122	161.9	165	26.5	0	0	0	109.9	T170 G171 F173 T210 H392 L398 T413	T170-D208 PolarHBondContact OG1-N 3.3Å; G171-D208 WeakPolarHBondContact O-CB 3.31Å; F173-D208 HydrophobicContact CD1-CB 4.15Å; F173-D208 PolarHBondContact N-OD2 2.86Å; D208-T210 VanDerWaalsContact OD1-CB 3.22Å; D208-T210 WeakPolarHBondContact OD1-CB 3.12Å; D208-T210 PolarHBondContact OD1-N 3.1Å; D208-T210 PolarHBondContact OD1-OG1 3.29Å; D208-H392 IonicContact OD1-ND1 3.27Å; D208-H392 IonicContact OD2-CE1 3.35Å; D208-H392 IonicContact OD2-CG 2.7Å; D208-H392 IonicContact OD2-ND1 2.62Å; D208-H392 PolarHBondContact OD2-ND1 3.46Å; D208-L398 VanDerWaalsContact O-CD2 3.28Å; D208-L398 WeakPolarHBondContact O-CD2 3.39Å; D208-T413 WeakPolarHBondContact CA-OG1 3.45Å; D208-T413 PolarHBondContact N-OG1 3.05Å
209	T	95.3	Very high	93.4	Very high	7 Å²	7	34.3 Å²	34.3	4%	0.043	19%	0.186	C	C	.	.			trans	-122.4	21.8	-172.8	34.7	0	0	0	0	111.4	L207 Y211 C212 P412 V414 T422 V426	L207-T209 HydrophobicContact CB-CG2 4.47Å; L207-T209 HydrophobicContact CD2-CG2 3.96Å; L207-T209 HydrophobicContact CG-CG2 4.1Å; L207-T209 PolarHBondContact O-N 2.96Å; L207-T209 PolarHBondContact O-OG1 2.83Å; T209-Y211 PolarHBondContact O-N 3.46Å; T209-Y211 VanDerWaalsContact O-N 3.11Å; T209-C212 HydrophobicContact CG2-CB 3.91Å; T209-C212 VanDerWaalsContact O-CB 3.28Å; T209-C212 WeakPolarHBondContact O-CB 3.24Å; T209-C212 PolarHBondContact O-N 2.83Å; T209-P412 HydrophobicContact CG2-CB 3.98Å; T209-P412 HydrophobicContact CG2-CG 4.45Å; T209-V414 PolarHBondContact OG1-N 3.05Å; T209-T422 HydrophobicContact CG2-CG2 3.76Å; T209-V426 HydrophobicContact CG2-CG2 4.27Å
210	T	93.9	Very high	93.7	Very high	33 Å²	33	33.5 Å²	33.5	20%	0.202	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.7	-42.6	-177.1	-64.9	0	0	0	0	112.5	D208 W354 H392	D208-T210 VanDerWaalsContact OD1-CB 3.22Å; D208-T210 WeakPolarHBondContact OD1-CB 3.12Å; D208-T210 PolarHBondContact OD1-N 3.1Å; D208-T210 PolarHBondContact OD1-OG1 3.29Å; T210-W354 HydrophobicContact CG2-CH2 4.42Å; T210-W354 HydrophobicContact CG2-CZ2 4.02Å; T210-H392 PolarHBondContact OG1-ND1 2.77Å
211	Y	92.5	Very high	93.8	Very high	6 Å²	6	30.1 Å²	30.1	2%	0.024	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.5	34.1	177.9	-62.7	-73.4	0	0	0	113	T209 S213 Y216 F218 G353 W354 S390 H392	T209-Y211 PolarHBondContact O-N 3.46Å; T209-Y211 VanDerWaalsContact O-N 3.11Å; Y211-S213 PolarHBondContact O-N 3.34Å; Y211-Y216 AromaticContact CD1-CD1 3.99Å; Y211-Y216 HydrophobicContact CD1-CD1 3.99Å; Y211-Y216 AromaticContact CD1-CD2 3.98Å; Y211-Y216 HydrophobicContact CD1-CD2 3.98Å; Y211-Y216 AromaticContact CD1-CG 3.63Å; Y211-Y216 HydrophobicContact CD1-CG 3.63Å; Y211-Y216 HydrophobicContact CE1-CD1 4.4Å; Y211-Y216 HydrophobicContact CE1-CG 4.46Å; Y211-Y216 HydrophobicContact CG-CG 4.47Å; Y211-F218 AromaticContact CD1-CE1 3.77Å; Y211-F218 HydrophobicContact CD1-CE1 3.77Å; Y211-F218 AromaticContact CD2-CE1 3.7Å; Y211-F218 HydrophobicContact CD2-CE1 3.7Å; Y211-F218 AromaticContact CD2-CZ 3.66Å; Y211-F218 HydrophobicContact CD2-CZ 3.66Å; Y211-F218 HydrophobicContact CE1-CE1 4.02Å; Y211-F218 HydrophobicContact CE2-CE1 4.02Å; Y211-F218 HydrophobicContact CE2-CZ 4.09Å; Y211-F218 AromaticContact CG-CE1 3.57Å; Y211-F218 HydrophobicContact CG-CE1 3.57Å; Y211-F218 AromaticContact CG-CZ 3.9Å; Y211-F218 HydrophobicContact CG-CZ 3.9Å; Y211-G353 WeakPolarHBondContact OH-CA 3.47Å; Y211-G353 PolarHBondContact OH-N 3.45Å; Y211-W354 HydrophobicContact CD1-CE3 4.28Å; Y211-W354 HydrophobicContact CD1-CH2 4.01Å; Y211-W354 HydrophobicContact CD1-CZ2 4.4Å; Y211-W354 AromaticContact CD1-CZ3 3.96Å; Y211-W354 HydrophobicContact CD1-CZ3 3.96Å; Y211-W354 AromaticContact CE1-CD2 3.61Å; Y211-W354 HydrophobicContact CE1-CD2 3.61Å; Y211-W354 AromaticContact CE1-CE2 3.66Å; Y211-W354 AromaticContact CE1-CE3 3.61Å; Y211-W354 HydrophobicContact CE1-CE3 3.61Å; Y211-W354 HydrophobicContact CE1-CG 4.31Å; Y211-W354 AromaticContact CE1-CH2 3.71Å; Y211-W354 HydrophobicContact CE1-CH2 3.71Å; Y211-W354 AromaticContact CE1-CZ2 3.72Å; Y211-W354 HydrophobicContact CE1-CZ2 3.72Å; Y211-W354 AromaticContact CE1-CZ3 3.66Å; Y211-W354 HydrophobicContact CE1-CZ3 3.66Å; Y211-W354 AromaticContact CZ-CE2 3.82Å; Y211-W354 AromaticContact CZ-CZ2 3.97Å; Y211-W354 PolarHBondContact OH-NE1 3.45Å; Y211-S390 WeakPolarHBondContact CE2-OG 3.5Å; Y211-H392 HydrophobicContact CD2-CB 3.66Å; Y211-H392 HydrophobicContact CE2-CB 3.74Å
212	C	92.6	Very high	93.8	Very high	11 Å²	11	27 Å²	27	7%	0.074	15%	0.149	C	C	.	.			trans	-78	61.9	176.7	-165.3	0	0	0	0	112	T209 L398 T422	T209-C212 HydrophobicContact CG2-CB 3.91Å; T209-C212 VanDerWaalsContact O-CB 3.28Å; T209-C212 WeakPolarHBondContact O-CB 3.24Å; T209-C212 PolarHBondContact O-N 2.83Å; C212-L398 HydrophobicContact CB-CD1 4.06Å; C212-T422 HydrophobicContact CB-CG2 3.92Å
213	S	89.6	Confident	93.7	Very high	41 Å²	41	29.8 Å²	29.8	29%	0.287	16%	0.164	S	C	.	.	S	Bend	trans	-149.3	138.5	168.3	176	0	0	0	0	108.7	Y211 Q215 Y216 F395	Y211-S213 PolarHBondContact O-N 3.34Å; S213-Q215 PolarHBondContact O-N 2.95Å; S213-Q215 WeakPolarHBondContact OG-CG 3.14Å; S213-Y216 PolarHBondContact O-N 2.99Å; S213-F395 WeakPolarHBondContact O-CB 3.38Å
214	S	87.7	Confident	93.6	Very high	71 Å²	71	28 Å²	28	50%	0.497	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	-56.7	-20.9	-179.1	56.2	0	0	0	0	113.2	Y216 Q358	S214-Y216 PolarHBondContact O-N 2.86Å; S214-Q358 PolarHBondContact O-NE2 2.9Å
215	Q	86	Confident	93.6	Very high	91 Å²	91	28 Å²	28	43%	0.425	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	-69.1	-11.2	175.1	80.1	-170.9	2.9	0	0	114.4	S213 H356	S213-Q215 PolarHBondContact O-N 2.95Å; S213-Q215 WeakPolarHBondContact OG-CG 3.14Å; Q215-H356 PolarHBondContact O-CD2 3.25Å
216	Y	88.5	Confident	93.5	Very high	50 Å²	50	31 Å²	31	20%	0.196	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-116.9	51.2	-178.8	-57.4	-61.1	0	0	0	111.7	Y211 S213 S214 F218 W354 F395	Y211-Y216 AromaticContact CD1-CD1 3.99Å; Y211-Y216 HydrophobicContact CD1-CD1 3.99Å; Y211-Y216 AromaticContact CD1-CD2 3.98Å; Y211-Y216 HydrophobicContact CD1-CD2 3.98Å; Y211-Y216 AromaticContact CD1-CG 3.63Å; Y211-Y216 HydrophobicContact CD1-CG 3.63Å; Y211-Y216 HydrophobicContact CE1-CD1 4.4Å; Y211-Y216 HydrophobicContact CE1-CG 4.46Å; Y211-Y216 HydrophobicContact CG-CG 4.47Å; S213-Y216 PolarHBondContact O-N 2.99Å; S214-Y216 PolarHBondContact O-N 2.86Å; Y216-F218 PolarHBondContact O-N 3.09Å; Y216-W354 HydrophobicContact CD1-CE3 4.37Å; Y216-W354 HydrophobicContact CD1-CZ3 4.45Å; Y216-W354 HydrophobicContact CD2-CZ3 4.41Å; Y216-W354 AromaticContact CE1-CE3 3.66Å; Y216-W354 HydrophobicContact CE1-CE3 3.66Å; Y216-W354 AromaticContact CE1-CZ3 3.8Å; Y216-W354 HydrophobicContact CE1-CZ3 3.8Å; Y216-W354 HydrophobicContact CE2-CE3 4.46Å; Y216-W354 AromaticContact CE2-CZ3 3.75Å; Y216-W354 HydrophobicContact CE2-CZ3 3.75Å; Y216-W354 AromaticContact CZ-CE3 3.72Å; Y216-W354 AromaticContact CZ-CZ3 3.4Å; Y216-W354 WeakPolarHBondContact OH-CZ3 3.32Å; Y216-F395 PolarHBondContact O-N 2.86Å
217	D	90.3	Very high	93.4	Very high	61 Å²	61	30.7 Å²	30.7	33%	0.326	17%	0.168	S	C	.	.			trans	-98	64.8	174.5	-160.8	24.6	0	0	0	111.1	H356 S394 F395 L396	D217-H356 PolarHBondContact O-CE1 2.79Å; D217-S394 PolarHBondContact OD1-OG 2.75Å; D217-F395 HydrophobicContact CB-CB 4.35Å; D217-L396 WeakPolarHBondContact OD1-CB 3.42Å; D217-L396 PolarHBondContact OD1-N 2.88Å; D217-L396 VanDerWaalsContact OD1-N 3.17Å
218	F	92.1	Very high	93.3	Very high	4 Å²	4	30.7 Å²	30.7	2%	0.018	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-74.6	156.4	-179.8	42.9	-108.5	0	0	0	112.6	Y211 Y216 H356 P388 S394	Y211-F218 AromaticContact CD1-CE1 3.77Å; Y211-F218 HydrophobicContact CD1-CE1 3.77Å; Y211-F218 AromaticContact CD2-CE1 3.7Å; Y211-F218 HydrophobicContact CD2-CE1 3.7Å; Y211-F218 AromaticContact CD2-CZ 3.66Å; Y211-F218 HydrophobicContact CD2-CZ 3.66Å; Y211-F218 HydrophobicContact CE1-CE1 4.02Å; Y211-F218 HydrophobicContact CE2-CE1 4.02Å; Y211-F218 HydrophobicContact CE2-CZ 4.09Å; Y211-F218 AromaticContact CG-CE1 3.57Å; Y211-F218 HydrophobicContact CG-CE1 3.57Å; Y211-F218 AromaticContact CG-CZ 3.9Å; Y211-F218 HydrophobicContact CG-CZ 3.9Å; Y216-F218 PolarHBondContact O-N 3.09Å; F218-H356 HydrophobicContact CB-CB 4.07Å; F218-H356 HydrophobicContact CD1-CB 4.31Å; F218-P388 HydrophobicContact CB-CB 3.93Å; F218-P388 WeakPolarHBondContact CB-O 3.48Å; F218-S394 VanDerWaalsContact CE2-CB 3.41Å
219	P	92.8	Very high	93.4	Very high	37 Å²	37	30.9 Å²	30.9	24%	0.24	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-61.2	169.5	177.8	-20.5	32.7	0	0	0	113.5	R174 D223 V224	R174-P219 PolarHBondContact NH2-O 2.88Å; P219-D223 HydrophobicContact CB-CB 4.16Å; P219-V224 HydrophobicContact CB-CG2 3.95Å; P219-V224 HydrophobicContact CG-CG2 4.24Å
220	N	93.5	Very high	93.4	Very high	67 Å²	67	35.1 Å²	35.1	36%	0.358	19%	0.188	S	C	.	.	P	Polyproline II helix	trans	-64.6	160.2	172.2	69.6	54.6	0	0	0	111.1	V222 D223 V224	N220-V222 PolarHBondContact O-N 3Å; N220-V222 WeakPolarHBondContact OD1-CB 3.26Å; N220-V222 PolarHBondContact OD1-N 3.02Å; N220-V222 VanDerWaalsContact OD1-N 3.09Å; N220-D223 VanDerWaalsContact CG-OD2 3.3Å; N220-D223 PolarHBondContact ND2-OD2 3.04Å; N220-D223 PolarHBondContact O-N 3.09Å; N220-D223 VanDerWaalsContact OD1-CG 3.32Å; N220-D223 PolarHBondContact OD1-N 3.4Å; N220-D223 PolarHBondContact OD1-OD2 2.86Å; N220-V224 WeakPolarHBondContact O-CG2 3.36Å; N220-V224 PolarHBondContact O-N 2.84Å
221	Q	94.7	Very high	93.6	Very high	21 Å²	21	34.2 Å²	34.2	10%	0.098	18%	0.183	C	C	.	.	H	α-helix	trans	-57.7	-36.8	-176	-73.5	171.6	-64	0	0	113	I225 Y389	Q221-I225 VanDerWaalsContact O-CG1 3.25Å; Q221-I225 WeakPolarHBondContact O-CG1 3.33Å; Q221-I225 PolarHBondContact O-N 2.97Å; Q221-I225 VanDerWaalsContact O-N 3.08Å; Q221-Y389 HydrophobicContact CB-CD2 4.2Å; Q221-Y389 HydrophobicContact CB-CE2 3.47Å; Q221-Y389 VanDerWaalsContact CB-CE2 3.47Å; Q221-Y389 HydrophobicContact CG-CD2 4.26Å; Q221-Y389 HydrophobicContact CG-CE2 3.64Å; Q221-Y389 PolarHBondContact NE2-OH 3.41Å
222	V	94.5	Very high	93.9	Very high	19 Å²	19	33.9 Å²	33.9	12%	0.115	18%	0.181	C	C	.	.	H	α-helix	trans	-67.3	-47.6	-177.2	179.4	0	0	0	0	110.7	L18 F21 N220 V224 I225 H226	L18-V222 HydrophobicContact CB-CG1 4.06Å; L18-V222 HydrophobicContact CD2-CG1 3.92Å; F21-V222 HydrophobicContact CB-CG2 3.42Å; F21-V222 VanDerWaalsContact CB-CG2 3.42Å; F21-V222 HydrophobicContact CD2-CG2 4.09Å; F21-V222 HydrophobicContact CG-CG2 4.1Å; N220-V222 PolarHBondContact O-N 3Å; N220-V222 WeakPolarHBondContact OD1-CB 3.26Å; N220-V222 PolarHBondContact OD1-N 3.02Å; N220-V222 VanDerWaalsContact OD1-N 3.09Å; V222-V224 VanDerWaalsContact C-N 3.33Å; V222-V224 PolarHBondContact O-N 2.92Å; V222-I225 PolarHBondContact O-N 3.1Å; V222-H226 PolarHBondContact O-CD2 2.97Å; V222-H226 PolarHBondContact O-N 3.19Å
223	D	94.9	Very high	94.1	Very high	59 Å²	59	38.2 Å²	38.2	32%	0.316	20%	0.196	S	C	.	.	H	α-helix	trans	-63	-41.5	180	-67.7	-27.4	0	0	0	111.1	P219 N220 I225 H226 G227 N371	P219-D223 HydrophobicContact CB-CB 4.16Å; N220-D223 VanDerWaalsContact CG-OD2 3.3Å; N220-D223 PolarHBondContact ND2-OD2 3.04Å; N220-D223 PolarHBondContact O-N 3.09Å; N220-D223 VanDerWaalsContact OD1-CG 3.32Å; N220-D223 PolarHBondContact OD1-N 3.4Å; N220-D223 PolarHBondContact OD1-OD2 2.86Å; D223-I225 VanDerWaalsContact C-N 3.33Å; D223-I225 PolarHBondContact O-N 2.61Å; D223-H226 WeakPolarHBondContact O-CB 3.26Å; D223-H226 PolarHBondContact O-N 3.01Å; D223-G227 PolarHBondContact O-N 3.4Å; D223-N371 PolarHBondContact O-ND2 3.19Å
224	V	96	Very high	94.4	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-65.9	-38.2	177.1	-176.7	0	0	0	0	111.4	P219 N220 V222 G227 A228 A387 P388 Y389	P219-V224 HydrophobicContact CB-CG2 3.95Å; P219-V224 HydrophobicContact CG-CG2 4.24Å; N220-V224 WeakPolarHBondContact O-CG2 3.36Å; N220-V224 PolarHBondContact O-N 2.84Å; V222-V224 VanDerWaalsContact C-N 3.33Å; V222-V224 PolarHBondContact O-N 2.92Å; V224-G227 PolarHBondContact O-N 3.34Å; V224-A228 WeakPolarHBondContact O-CB 3.48Å; V224-A228 PolarHBondContact O-N 3.23Å; V224-A387 HydrophobicContact CG1-CB 3.77Å; V224-P388 HydrophobicContact CG1-CG 4.29Å; V224-P388 HydrophobicContact CG2-CG 4.07Å; V224-Y389 HydrophobicContact CB-CD2 4.22Å; V224-Y389 HydrophobicContact CG1-CD2 4.35Å
225	I	97.6	Very high	94.8	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-63.7	-44.4	173.2	-69.4	167.3	0	0	0	110.6	L18 F21 Q221 V222 D223 G227 A228 L229 F256 Y389	L18-I225 HydrophobicContact CD2-CB 4.31Å; L18-I225 HydrophobicContact CD2-CG2 3.84Å; F21-I225 HydrophobicContact CE2-CD1 4.32Å; Q221-I225 VanDerWaalsContact O-CG1 3.25Å; Q221-I225 WeakPolarHBondContact O-CG1 3.33Å; Q221-I225 PolarHBondContact O-N 2.97Å; Q221-I225 VanDerWaalsContact O-N 3.08Å; V222-I225 PolarHBondContact O-N 3.1Å; D223-I225 VanDerWaalsContact C-N 3.33Å; D223-I225 PolarHBondContact O-N 2.61Å; I225-G227 VanDerWaalsContact C-N 3.32Å; I225-G227 PolarHBondContact O-N 3Å; I225-A228 PolarHBondContact O-N 3.32Å; I225-A228 VanDerWaalsContact O-N 3.15Å; I225-L229 HydrophobicContact CG2-CD1 3.87Å; I225-L229 HydrophobicContact CG2-CG 4.23Å; I225-L229 WeakPolarHBondContact O-CB 3.4Å; I225-L229 VanDerWaalsContact O-CG 3.27Å; I225-L229 WeakPolarHBondContact O-CG 3.5Å; I225-L229 PolarHBondContact O-N 3.4Å; I225-F256 HydrophobicContact CG1-CD2 3.86Å; I225-Y389 HydrophobicContact CD1-CE2 3.69Å; I225-Y389 HydrophobicContact CG1-CD2 4.11Å; I225-Y389 HydrophobicContact CG1-CE2 3.78Å
226	H	96.7	Very high	95.1	Very high	64 Å²	64	36.4 Å²	36.4	30%	0.296	18%	0.177	S	C	.	.	H	α-helix	trans	-55.5	-46.7	174.8	-74.1	179.8	0	0	0	112.1	L18 V222 D223 A228 L229 E230	L18-H226 VanDerWaalsContact CB-NE2 3.27Å; L18-H226 WeakPolarHBondContact CB-NE2 3.29Å; L18-H226 WeakPolarHBondContact CD1-CD2 3.45Å; L18-H226 WeakPolarHBondContact CD1-NE2 3.22Å; L18-H226 WeakPolarHBondContact CD2-CD2 3.25Å; L18-H226 WeakPolarHBondContact CD2-NE2 3.42Å; L18-H226 VanDerWaalsContact CG-NE2 3.25Å; L18-H226 WeakPolarHBondContact CG-NE2 3.41Å; V222-H226 PolarHBondContact O-CD2 2.97Å; V222-H226 PolarHBondContact O-N 3.19Å; D223-H226 WeakPolarHBondContact O-CB 3.26Å; D223-H226 PolarHBondContact O-N 3.01Å; H226-A228 VanDerWaalsContact C-N 3.3Å; H226-A228 PolarHBondContact O-N 2.96Å; H226-L229 WeakPolarHBondContact O-CB 3.45Å; H226-L229 PolarHBondContact O-N 3.48Å; H226-E230 PolarHBondContact O-N 2.96Å
227	G	96.1	Very high	95.3	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-63.1	-40	178.8	0	0	0	0	0	111.9	D223 V224 I225 L229 E230 V231	D223-G227 PolarHBondContact O-N 3.4Å; V224-G227 PolarHBondContact O-N 3.34Å; I225-G227 VanDerWaalsContact C-N 3.32Å; I225-G227 PolarHBondContact O-N 3Å; G227-L229 VanDerWaalsContact C-N 3.33Å; G227-E230 PolarHBondContact O-N 3.05Å; G227-V231 WeakPolarHBondContact O-CG2 3.42Å; G227-V231 PolarHBondContact O-N 3.43Å; G227-V231 VanDerWaalsContact O-N 3.17Å
228	A	97.7	Very high	95.3	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-68.9	-34.5	178.4	0	0	0	0	0	111.9	V224 I225 H226 T232 F256 L260 W349 I373	V224-A228 WeakPolarHBondContact O-CB 3.48Å; V224-A228 PolarHBondContact O-N 3.23Å; I225-A228 PolarHBondContact O-N 3.32Å; I225-A228 VanDerWaalsContact O-N 3.15Å; H226-A228 VanDerWaalsContact C-N 3.3Å; H226-A228 PolarHBondContact O-N 2.96Å; A228-T232 VanDerWaalsContact O-CB 3.24Å; A228-T232 WeakPolarHBondContact O-CB 3.15Å; A228-T232 PolarHBondContact O-N 3.34Å; A228-T232 PolarHBondContact O-OG1 3.18Å; A228-F256 HydrophobicContact CB-CE2 3.76Å; A228-F256 HydrophobicContact CB-CZ 3.55Å; A228-L260 HydrophobicContact CB-CD2 4.07Å; A228-W349 HydrophobicContact CB-CD2 4.29Å; A228-W349 HydrophobicContact CB-CE3 4.17Å; A228-W349 HydrophobicContact CB-CH2 3.73Å; A228-W349 HydrophobicContact CB-CZ2 3.83Å; A228-W349 HydrophobicContact CB-CZ3 3.88Å; A228-W349 VanDerWaalsContact O-CZ2 3.31Å; A228-W349 WeakPolarHBondContact O-CZ2 3.17Å; A228-I373 HydrophobicContact CB-CD1 4.11Å
229	L	97.7	Very high	95.2	Very high	5 Å²	5	46 Å²	46	3%	0.026	22%	0.223	C	C	.	.	H	α-helix	trans	-62.6	-46.1	173.4	-77.3	168.5	0	0	0	112	L18 I225 H226 G227 T232 R233 G259 L260 E263 L264	L18-L229 HydrophobicContact CD1-CD1 4Å; I225-L229 HydrophobicContact CG2-CD1 3.87Å; I225-L229 HydrophobicContact CG2-CG 4.23Å; I225-L229 WeakPolarHBondContact O-CB 3.4Å; I225-L229 VanDerWaalsContact O-CG 3.27Å; I225-L229 WeakPolarHBondContact O-CG 3.5Å; I225-L229 PolarHBondContact O-N 3.4Å; H226-L229 WeakPolarHBondContact O-CB 3.45Å; H226-L229 PolarHBondContact O-N 3.48Å; G227-L229 VanDerWaalsContact C-N 3.33Å; L229-T232 PolarHBondContact O-N 3.07Å; L229-R233 WeakPolarHBondContact O-CB 3.43Å; L229-R233 PolarHBondContact O-N 2.91Å; L229-G259 WeakPolarHBondContact CD2-O 3.45Å; L229-L260 HydrophobicContact CD2-CD2 3.75Å; L229-L260 HydrophobicContact CG-CD2 3.97Å; L229-E263 HydrophobicContact CD1-CB 3.82Å; L229-E263 HydrophobicContact CD1-CG 3.8Å; L229-E263 HydrophobicContact CD2-CB 3.59Å; L229-E263 HydrophobicContact CD2-CG 4.4Å; L229-E263 HydrophobicContact CG-CB 4.38Å; L229-L264 HydrophobicContact CD2-CD1 3.85Å; L229-L264 HydrophobicContact CD2-CD2 4.41Å; L229-L264 HydrophobicContact CD2-CG 3.72Å
230	E	97.1	Very high	95.1	Very high	96 Å²	96	48.3 Å²	48.3	45%	0.449	24%	0.238	S	C	.	.	H	α-helix	trans	-60.2	-50.5	177.7	-72.8	-178.6	-171.7	0	0	111.5	H226 G227 T232 R233 D234	H226-E230 PolarHBondContact O-N 2.96Å; G227-E230 PolarHBondContact O-N 3.05Å; E230-T232 PolarHBondContact O-N 2.84Å; E230-R233 PolarHBondContact O-N 3.46Å; E230-D234 PolarHBondContact O-N 3.02Å
231	V	97.1	Very high	94.8	Very high	14 Å²	14	45.7 Å²	45.7	9%	0.085	22%	0.224	C	C	.	.	H	α-helix	trans	-59.3	-48.6	176.9	174	0	0	0	0	110.4	G227 R233 D234 Y235 W349 P369 Y385	G227-V231 WeakPolarHBondContact O-CG2 3.42Å; G227-V231 PolarHBondContact O-N 3.43Å; G227-V231 VanDerWaalsContact O-N 3.17Å; V231-R233 VanDerWaalsContact C-N 3.34Å; V231-R233 PolarHBondContact O-N 3.14Å; V231-D234 PolarHBondContact O-N 3.43Å; V231-Y235 HydrophobicContact CG1-CD2 4.08Å; V231-Y235 HydrophobicContact CG1-CE2 3.97Å; V231-Y235 WeakPolarHBondContact O-CD2 3.34Å; V231-Y235 PolarHBondContact O-N 3.19Å; V231-W349 HydrophobicContact CB-CH2 3.74Å; V231-W349 HydrophobicContact CB-CZ2 3.73Å; V231-W349 HydrophobicContact CG1-CH2 3.8Å; V231-W349 HydrophobicContact CG1-CZ2 3.69Å; V231-W349 HydrophobicContact CG2-CH2 4.19Å; V231-P369 HydrophobicContact CG2-CB 4.13Å; V231-Y385 HydrophobicContact CG1-CD1 4.42Å; V231-Y385 HydrophobicContact CG1-CD2 4.28Å; V231-Y385 HydrophobicContact CG1-CE1 4.09Å; V231-Y385 HydrophobicContact CG1-CE2 3.95Å; V231-Y385 HydrophobicContact CG1-CG 4.49Å
232	T	98.1	Very high	94.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-62.1	-41.7	-178.4	-57	0	0	0	0	111.9	A228 L229 E230 D234 Y235 L236 V244 L264 L347 W349	A228-T232 VanDerWaalsContact O-CB 3.24Å; A228-T232 WeakPolarHBondContact O-CB 3.15Å; A228-T232 PolarHBondContact O-N 3.34Å; A228-T232 PolarHBondContact O-OG1 3.18Å; L229-T232 PolarHBondContact O-N 3.07Å; E230-T232 PolarHBondContact O-N 2.84Å; T232-D234 PolarHBondContact O-N 3.34Å; T232-Y235 PolarHBondContact O-N 3Å; T232-L236 HydrophobicContact CG2-CD1 3.91Å; T232-L236 HydrophobicContact CG2-CG 4.47Å; T232-L236 WeakPolarHBondContact O-CG 3.42Å; T232-L236 PolarHBondContact O-N 2.77Å; T232-V244 HydrophobicContact CG2-CG1 4.25Å; T232-V244 HydrophobicContact CG2-CG2 3.68Å; T232-L264 HydrophobicContact CG2-CD1 3.47Å; T232-L264 VanDerWaalsContact CG2-CD1 3.47Å; T232-L347 HydrophobicContact CG2-CD2 4.09Å; T232-W349 WeakPolarHBondContact OG1-CZ2 3.43Å; T232-W349 PolarHBondContact OG1-NE1 3.41Å
233	R	97.4	Very high	94.8	Very high	102 Å²	102	44 Å²	44	39%	0.385	22%	0.215	S	C	.	.	H	α-helix	trans	-60.3	-44.3	176.8	-172.9	-176.5	-64.1	126.2	-1.3	111.7	L229 E230 V231 Y235 L236 I237 L264	L229-R233 WeakPolarHBondContact O-CB 3.43Å; L229-R233 PolarHBondContact O-N 2.91Å; E230-R233 PolarHBondContact O-N 3.46Å; V231-R233 VanDerWaalsContact C-N 3.34Å; V231-R233 PolarHBondContact O-N 3.14Å; R233-Y235 VanDerWaalsContact C-N 3.31Å; R233-Y235 PolarHBondContact O-N 2.92Å; R233-L236 PolarHBondContact O-N 3.35Å; R233-I237 HydrophobicContact CG-CD1 4.01Å; R233-I237 WeakPolarHBondContact O-CG1 3.32Å; R233-I237 PolarHBondContact O-N 2.84Å; R233-L264 HydrophobicContact CB-CD2 4.04Å; R233-L264 HydrophobicContact CG-CD2 4.33Å
234	D	96	Very high	94.9	Very high	89 Å²	89	41.2 Å²	41.2	48%	0.476	20%	0.2	S	C	.	.	H	α-helix	trans	-62.7	-37.4	179.4	-78.7	-4.3	0	0	0	112.6	E230 V231 T232 K238	E230-D234 PolarHBondContact O-N 3.02Å; V231-D234 PolarHBondContact O-N 3.43Å; T232-D234 PolarHBondContact O-N 3.34Å; D234-K238 WeakPolarHBondContact O-CG 3.4Å; D234-K238 PolarHBondContact O-N 3.46Å
235	Y	95.3	Very high	95.1	Very high	44 Å²	44	41.2 Å²	41.2	17%	0.173	20%	0.2	C	C	.	.	H	α-helix	trans	-69.1	-43	173.5	-84.7	-94.1	0	0	0	111.9	V231 T232 R233 I237 K238 D239 I242 L347 H383 Y385	V231-Y235 HydrophobicContact CG1-CD2 4.08Å; V231-Y235 HydrophobicContact CG1-CE2 3.97Å; V231-Y235 WeakPolarHBondContact O-CD2 3.34Å; V231-Y235 PolarHBondContact O-N 3.19Å; T232-Y235 PolarHBondContact O-N 3Å; R233-Y235 VanDerWaalsContact C-N 3.31Å; R233-Y235 PolarHBondContact O-N 2.92Å; Y235-I237 VanDerWaalsContact C-N 3.33Å; Y235-I237 PolarHBondContact O-N 2.88Å; Y235-K238 PolarHBondContact O-N 3.3Å; Y235-D239 PolarHBondContact O-N 3.44Å; Y235-I242 HydrophobicContact CD1-CD1 3.59Å; Y235-I242 HydrophobicContact CG-CD1 4.12Å; Y235-L347 HydrophobicContact CD2-CD1 4.26Å; Y235-L347 HydrophobicContact CD2-CD2 4.09Å; Y235-L347 HydrophobicContact CE2-CD1 4.21Å; Y235-L347 HydrophobicContact CG-CD2 4.13Å; Y235-H383 HydrophobicContact CE1-CB 4.37Å; Y235-H383 AromaticContact CE1-CG 3.94Å; Y235-H383 AromaticContact CE1-ND1 3.8Å; Y235-H383 PolarHBondContact OH-CD2 2.85Å; Y235-H383 VanDerWaalsContact OH-CD2 3.23Å; Y235-Y385 AromaticContact CE2-CE2 3.82Å; Y235-Y385 HydrophobicContact CE2-CE2 3.82Å; Y235-Y385 AromaticContact CZ-CE2 3.99Å; Y235-Y385 PolarHBondContact OH-OH 3.24Å
236	L	93.4	Very high	95.1	Very high	31 Å²	31	41.1 Å²	41.1	16%	0.162	20%	0.2	C	C	.	.	H	α-helix	trans	-64.2	-34.8	178.5	-75	165.2	0	0	0	113	T232 R233 K238 D239 P240 I242 L264 L266	T232-L236 HydrophobicContact CG2-CD1 3.91Å; T232-L236 HydrophobicContact CG2-CG 4.47Å; T232-L236 WeakPolarHBondContact O-CG 3.42Å; T232-L236 PolarHBondContact O-N 2.77Å; R233-L236 PolarHBondContact O-N 3.35Å; L236-K238 VanDerWaalsContact C-N 3.33Å; L236-D239 CarbonylContact O-C 3.34Å; L236-P240 WeakPolarHBondContact O-CA 3.27Å; L236-P240 VanDerWaalsContact O-N 3.16Å; L236-I242 HydrophobicContact CD2-CG2 3.69Å; L236-I242 HydrophobicContact CG-CG2 4.18Å; L236-L264 HydrophobicContact CD1-CD1 4.01Å; L236-L266 HydrophobicContact CD1-CD2 4.05Å
237	I	92.9	Very high	95.1	Very high	121 Å²	121	38.1 Å²	38.1	62%	0.621	19%	0.186	S	C	*	.	H	α-helix	trans	-64.3	-40.2	174.7	-71.8	167	0	0	0	111	R233 Y235	R233-I237 HydrophobicContact CG-CD1 4.01Å; R233-I237 WeakPolarHBondContact O-CG1 3.32Å; R233-I237 PolarHBondContact O-N 2.84Å; Y235-I237 VanDerWaalsContact C-N 3.33Å; Y235-I237 PolarHBondContact O-N 2.88Å
238	K	90.8	Very high	95.1	Very high	173 Å²	173	38.1 Å²	38.1	75%	0.752	19%	0.186	S	C	*	.	H	α-helix	trans	-77.4	-36.9	-178.9	-68.8	171.2	-174.3	170.1	0	112.5	D234 Y235 L236	D234-K238 WeakPolarHBondContact O-CG 3.4Å; D234-K238 PolarHBondContact O-N 3.46Å; Y235-K238 PolarHBondContact O-N 3.3Å; L236-K238 VanDerWaalsContact C-N 3.33Å
239	D	89.8	Confident	94.7	Very high	24 Å²	24	42.4 Å²	42.4	13%	0.128	20%	0.203	C	C	.	.			trans	-142	91.6	-179.6	-175.2	-0.7	0	0	0	110	Y235 L236 T241 I242 R328 S345	Y235-D239 PolarHBondContact O-N 3.44Å; L236-D239 CarbonylContact O-C 3.34Å; D239-T241 PolarHBondContact O-N 3.17Å; D239-T241 WeakPolarHBondContact OD1-CB 2.93Å; D239-T241 PolarHBondContact OD1-N 3.31Å; D239-T241 PolarHBondContact OD1-OG1 2.56Å; D239-I242 HydrophobicContact CB-CB 4.35Å; D239-I242 WeakPolarHBondContact O-CB 3.43Å; D239-I242 WeakPolarHBondContact O-CG2 3.35Å; D239-I242 PolarHBondContact O-N 3.1Å; D239-R328 VanDerWaalsContact CG-NH1 3.27Å; D239-R328 IonicContact OD1-CZ 3.05Å; D239-R328 IonicContact OD1-NH1 3.1Å; D239-R328 PolarHBondContact OD1-NH1 3.39Å; D239-R328 IonicContact OD2-CZ 3.94Å; D239-R328 IonicContact OD2-NH1 2.99Å; D239-R328 PolarHBondContact OD2-NH1 3.21Å; D239-R328 IonicContact OD2-NH2 2.56Å; D239-R328 PolarHBondContact OD2-NH2 3.14Å; D239-S345 PolarHBondContact OD2-OG 3.05Å
240	P	89.2	Confident	94.3	Very high	85 Å²	85	44.1 Å²	44.1	55%	0.552	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-16.5	177.8	-25.6	35.2	0	0	0	113.9	L236	L236-P240 WeakPolarHBondContact O-CA 3.27Å; L236-P240 VanDerWaalsContact O-N 3.16Å
241	T	88.3	Confident	94.1	Very high	12 Å²	12	39.5 Å²	39.5	7%	0.074	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-4.4	177.6	71.5	0	0	0	0	113.6	D239 L243 R328 I331 R344	D239-T241 PolarHBondContact O-N 3.17Å; D239-T241 WeakPolarHBondContact OD1-CB 2.93Å; D239-T241 PolarHBondContact OD1-N 3.31Å; D239-T241 PolarHBondContact OD1-OG1 2.56Å; T241-L243 PolarHBondContact O-N 2.88Å; T241-R328 PolarHBondContact OG1-NH1 3.34Å; T241-I331 HydrophobicContact CG2-CB 4.43Å; T241-I331 HydrophobicContact CG2-CD1 3.74Å; T241-I331 HydrophobicContact CG2-CG1 3.12Å; T241-R344 VanDerWaalsContact O-CG 3.31Å; T241-R344 WeakPolarHBondContact O-CG 2.93Å; T241-R344 PolarHBondContact O-NE 2.8Å
242	I	93.2	Very high	93.8	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.021	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-56	143.3	-178.8	-164.4	168.5	0	0	0	110.6	Y235 L236 D239 R344 S345 L347	Y235-I242 HydrophobicContact CD1-CD1 3.59Å; Y235-I242 HydrophobicContact CG-CD1 4.12Å; L236-I242 HydrophobicContact CD2-CG2 3.69Å; L236-I242 HydrophobicContact CG-CG2 4.18Å; D239-I242 HydrophobicContact CB-CB 4.35Å; D239-I242 WeakPolarHBondContact O-CB 3.43Å; D239-I242 WeakPolarHBondContact O-CG2 3.35Å; D239-I242 PolarHBondContact O-N 3.1Å; I242-R344 PolarHBondContact O-NH2 2.71Å; I242-S345 WeakPolarHBondContact CG1-O 3.15Å; I242-L347 HydrophobicContact CD1-CB 3.73Å; I242-L347 HydrophobicContact CG1-CB 4.33Å
243	L	95.4	Very high	93.7	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	123.1	169.8	-179.6	66.9	0	0	0	109.6	T241 V245 H306 Y321 L325 R344 S345 I346 L347	T241-L243 PolarHBondContact O-N 2.88Å; L243-V245 HydrophobicContact CD2-CG2 3.79Å; L243-V245 HydrophobicContact CG-CG2 3.86Å; L243-H306 HydrophobicContact CD1-CB 4.4Å; L243-Y321 HydrophobicContact CD2-CD1 4.4Å; L243-Y321 HydrophobicContact CD2-CE1 3.92Å; L243-L325 HydrophobicContact CD2-CD1 3.3Å; L243-R344 HydrophobicContact CB-CG 4.22Å; L243-S345 PolarHBondContact N-O 3.36Å; L243-I346 HydrophobicContact CB-CG1 4.38Å; L243-I346 HydrophobicContact CD2-CD1 4.48Å; L243-I346 HydrophobicContact CD2-CG1 4.49Å; L243-I346 WeakPolarHBondContact O-CA 3.35Å; L243-L347 PolarHBondContact O-N 3.46Å
244	V	98.3	Very high	93.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	134	168	-173.6	0	0	0	0	108.3	T232 L266 Q304 L305 H306 L347	T232-V244 HydrophobicContact CG2-CG1 4.25Å; T232-V244 HydrophobicContact CG2-CG2 3.68Å; V244-L266 HydrophobicContact CG2-CD1 4.21Å; V244-Q304 PolarHBondContact N-O 3.39Å; V244-L305 HydrophobicContact CB-CB 4.35Å; V244-L305 HydrophobicContact CB-CG 4.26Å; V244-L305 HydrophobicContact CG1-CD1 4.16Å; V244-L305 HydrophobicContact CG1-CG 4.14Å; V244-L305 CarbonylContact O-C 3.57Å; V244-L305 VanDerWaalsContact O-CA 3.27Å; V244-L305 WeakPolarHBondContact O-CA 3.27Å; V244-H306 PolarHBondContact O-N 3.01Å; V244-L347 CarbonylContact C-O 3.55Å; V244-L347 WeakPolarHBondContact CA-O 3.38Å
245	V	98.5	Very high	93.8	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	125.9	177.9	-179.2	0	0	0	0	109.5	L243 H306 L308 L313 L318 I346 L347 G348 W349	L243-V245 HydrophobicContact CD2-CG2 3.79Å; L243-V245 HydrophobicContact CG-CG2 3.86Å; V245-H306 CarbonylContact C-O 3.58Å; V245-H306 VanDerWaalsContact CA-O 3.24Å; V245-H306 WeakPolarHBondContact CA-O 3.44Å; V245-L308 HydrophobicContact CG1-CB 4.08Å; V245-L308 HydrophobicContact CG1-CD1 3.62Å; V245-L308 HydrophobicContact CG1-CG 3.76Å; V245-L313 HydrophobicContact CB-CD1 4.38Å; V245-L313 HydrophobicContact CG1-CD1 3.79Å; V245-L313 HydrophobicContact CG1-CD2 4.3Å; V245-L318 HydrophobicContact CG1-CD2 4.24Å; V245-I346 HydrophobicContact CB-CG2 4.33Å; V245-I346 HydrophobicContact CG2-CG2 3.67Å; V245-L347 PolarHBondContact N-O 3.48Å; V245-G348 CarbonylContact O-C 3.6Å; V245-G348 WeakPolarHBondContact O-CA 3.23Å; V245-W349 PolarHBondContact O-N 3.06Å
246	C	98.5	Very high	93.9	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	127.3	176.5	-67.5	0	0	0	0	111.1	L305 H306 V307 L308	C246-L305 HydrophobicContact CB-CD2 4.3Å; C246-H306 PolarHBondContact N-O 2.83Å; C246-V307 WeakPolarHBondContact O-CA 3.49Å; C246-L308 PolarHBondContact O-N 3.42Å
247	G	97.2	Very high	94.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	127.6	171	0	0	0	0	0	111.5	L308 M310 W349 P351	G247-L308 WeakPolarHBondContact CA-O 3.46Å; G247-M310 WeakPolarHBondContact O-CE 3.31Å; G247-W349 PolarHBondContact N-O 2.78Å; G247-P351 WeakPolarHBondContact O-CD 3.49Å; G247-P351 WeakPolarHBondContact O-CG 3.35Å
248	M	95	Very high	94.5	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	158.8	178.9	-163.1	177	179.5	0	0	111.1	G252 K253 E254 I278 V307 L308 P309 M310	M248-G252 WeakPolarHBondContact CE-O 3.43Å; M248-G252 WeakPolarHBondContact CG-O 3.26Å; M248-K253 HydrophobicContact CG-CB 4.2Å; M248-E254 HydrophobicContact CE-CG 3.52Å; M248-E254 WeakPolarHBondContact CE-OE1 3.47Å; M248-I278 HydrophobicContact CE-CD1 4.2Å; M248-I278 HydrophobicContact SD-CD1 4.46Å; M248-V307 HydrophobicContact CB-CG1 3.44Å; M248-V307 VanDerWaalsContact CB-CG1 3.44Å; M248-V307 HydrophobicContact CG-CG1 4.23Å; M248-V307 HydrophobicContact SD-CG1 3.83Å; M248-L308 PolarHBondContact N-O 3.25Å; M248-P309 WeakPolarHBondContact O-CA 3.34Å; M248-M310 PolarHBondContact O-N 3.33Å; M248-M310 VanDerWaalsContact O-N 3.09Å
249	Y	89.2	Confident	94.8	Very high	91 Å²	91	14.1 Å²	14.1	36%	0.357	8%	0.075	S	C	.	.			trans	-85.2	-151.9	166.8	-55.2	-64.4	0	0	0	110.4	Q274 M310	Y249-Q274 PolarHBondContact O-NE2 3.41Å; Y249-M310 HydrophobicContact CD1-CB 4.47Å; Y249-M310 HydrophobicContact CE1-CB 4.24Å; Y249-M310 HydrophobicContact CE1-CG 4.45Å
250	S	89.4	Confident	95.2	Very high	40 Å²	40	13 Å²	13	28%	0.28	7%	0.069	S	C	.	.	S	Bend	trans	-68.4	-46.7	166.9	45.6	0	0	0	0	111.2
251	I	92.8	Very high	95.7	Very high	0 Å²	0	9 Å²	9	0%	0	4%	0.043	C	C	.	.	S	Bend	trans	-145.8	154.3	176.3	-149.8	173.2	0	0	0	108.7	H91 L115 C150 P151 E254 A281	H91-I251 PolarHBondContact NE2-O 2.89Å; L115-I251 HydrophobicContact CD1-CD1 3.75Å; C150-I251 HydrophobicContact CB-CG2 4.3Å; P151-I251 HydrophobicContact CB-CD1 3.65Å; P151-I251 HydrophobicContact CB-CG1 4.25Å; P151-I251 HydrophobicContact CG-CD1 3.78Å; P151-I251 HydrophobicContact CG-CG1 3.81Å; I251-E254 WeakPolarHBondContact CA-OE1 3.05Å; I251-E254 WeakPolarHBondContact CG1-OE1 3.4Å; I251-A281 HydrophobicContact CD1-CB 3.98Å
252	G	90.5	Very high	96.1	Very high	1 Å²	1	9.3 Å²	9.3	1%	0.01	5%	0.046	C	C	.	.	S	Bend	trans	97.3	149.8	-164.9	0	0	0	0	0	111.4	M248 E254	M248-G252 WeakPolarHBondContact CE-O 3.43Å; M248-G252 WeakPolarHBondContact CG-O 3.26Å; G252-E254 VanDerWaalsContact C-N 3.33Å; G252-E254 WeakPolarHBondContact CA-OE2 3.49Å; G252-E254 VanDerWaalsContact N-CD 3.28Å; G252-E254 PolarHBondContact N-OE1 3.15Å; G252-E254 PolarHBondContact N-OE2 3.34Å
253	K	96.1	Very high	96.3	Very high	4 Å²	4	12.2 Å²	12.2	2%	0.017	6%	0.059	C	C	.	.			trans	73.7	8.5	-170.1	-41.6	-72.2	168.2	-174.7	0	115.8	M248 R255 F256 T257 P351 Y389 E391	M248-K253 HydrophobicContact CG-CB 4.2Å; K253-R255 VanDerWaalsContact C-N 3.26Å; K253-R255 PolarHBondContact O-N 2.86Å; K253-F256 PolarHBondContact O-N 3.45Å; K253-T257 PolarHBondContact O-N 2.99Å; K253-T257 PolarHBondContact O-OG1 3.06Å; K253-T257 VanDerWaalsContact O-OG1 3.07Å; K253-P351 HydrophobicContact CB-CG 4.27Å; K253-P351 HydrophobicContact CD-CB 3.94Å; K253-P351 HydrophobicContact CD-CG 3.82Å; K253-P351 VanDerWaalsContact CD-O 3.31Å; K253-P351 WeakPolarHBondContact CD-O 3.19Å; K253-P351 WeakPolarHBondContact CE-O 3.39Å; K253-P351 HydrophobicContact CG-CG 4.12Å; K253-P351 PolarHBondContact NZ-O 2.92Å; K253-Y389 HydrophobicContact CD-CD1 3.88Å; K253-Y389 HydrophobicContact CD-CE1 4.12Å; K253-Y389 PolarHBondContact NZ-O 2.78Å; K253-E391 WeakPolarHBondContact CA-OE1 3.41Å; K253-E391 WeakPolarHBondContact CD-OE1 2.98Å; K253-E391 WeakPolarHBondContact CD-OE2 3.29Å; K253-E391 WeakPolarHBondContact CE-OE2 3.46Å; K253-E391 PolarHBondContact N-OE1 2.97Å; K253-E391 IonicContact NZ-OE1 3.26Å; K253-E391 IonicContact NZ-OE2 3.32Å; K253-E391 PolarHBondContact NZ-OE2 2.94Å
254	E	97.9	Very high	96.4	Very high	3 Å²	3	13.8 Å²	13.8	1%	0.014	7%	0.067	C	C	.	.	H	α-helix	trans	-60	-40.7	174	-61.4	78.6	-174.5	0	0	110.7	P151 M248 I251 G252 F256 T257 L258 I278 V288 L292	P151-E254 WeakPolarHBondContact CD-OE2 3.31Å; P151-E254 HydrophobicContact CG-CG 4.43Å; M248-E254 HydrophobicContact CE-CG 3.52Å; M248-E254 WeakPolarHBondContact CE-OE1 3.47Å; I251-E254 WeakPolarHBondContact CA-OE1 3.05Å; I251-E254 WeakPolarHBondContact CG1-OE1 3.4Å; G252-E254 VanDerWaalsContact C-N 3.33Å; G252-E254 WeakPolarHBondContact CA-OE2 3.49Å; G252-E254 VanDerWaalsContact N-CD 3.28Å; G252-E254 PolarHBondContact N-OE1 3.15Å; G252-E254 PolarHBondContact N-OE2 3.34Å; E254-F256 PolarHBondContact O-N 3.04Å; E254-T257 PolarHBondContact O-N 3Å; E254-L258 WeakPolarHBondContact O-CB 3.42Å; E254-L258 PolarHBondContact O-N 3.45Å; E254-I278 HydrophobicContact CG-CD1 4.41Å; E254-I278 HydrophobicContact CG-CG1 4.29Å; E254-V288 HydrophobicContact CB-CG1 3.67Å; E254-L292 HydrophobicContact CB-CD2 4.07Å; E254-L292 HydrophobicContact CG-CD2 4.23Å
255	R	97.9	Very high	96.4	Very high	32 Å²	32	19.1 Å²	19.1	12%	0.121	10%	0.096	C	C	.	.	H	α-helix	trans	-60.1	-42.9	177.6	-72.3	-174.4	-171	99.4	-5.5	112.2	F21 N148 H149 K253 G259 V288 Y389	F21-R255 HydrophobicContact CE1-CB 4.39Å; F21-R255 HydrophobicContact CE1-CG 4.03Å; F21-R255 HydrophobicContact CZ-CB 4.38Å; F21-R255 HydrophobicContact CZ-CG 4.46Å; N148-R255 VanDerWaalsContact OD1-CZ 3.31Å; N148-R255 PolarHBondContact OD1-NH2 2.95Å; H149-R255 PolarHBondContact O-NH1 3.41Å; H149-R255 VanDerWaalsContact O-NH1 3.15Å; K253-R255 VanDerWaalsContact C-N 3.26Å; K253-R255 PolarHBondContact O-N 2.86Å; R255-G259 PolarHBondContact O-N 3.29Å; R255-V288 HydrophobicContact CB-CG1 4.44Å; R255-V288 HydrophobicContact CG-CB 4.43Å; R255-V288 HydrophobicContact CG-CG1 3.76Å; R255-V288 HydrophobicContact CG-CG2 3.85Å; R255-Y389 WeakPolarHBondContact CB-OH 3.44Å
256	F	98.4	Very high	96.3	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-64.9	-45.5	176.3	-173	-88.9	0	0	0	111.4	I225 A228 K253 E254 G259 L260 W349 P351 A387 Y389	I225-F256 HydrophobicContact CG1-CD2 3.86Å; A228-F256 HydrophobicContact CB-CE2 3.76Å; A228-F256 HydrophobicContact CB-CZ 3.55Å; K253-F256 PolarHBondContact O-N 3.45Å; E254-F256 PolarHBondContact O-N 3.04Å; F256-G259 PolarHBondContact O-N 3.4Å; F256-L260 HydrophobicContact CD1-CD1 4.17Å; F256-L260 HydrophobicContact CE1-CD1 3.61Å; F256-L260 HydrophobicContact CE1-CG 4.35Å; F256-L260 HydrophobicContact CZ-CD1 4.24Å; F256-L260 PolarHBondContact O-N 3.14Å; F256-W349 HydrophobicContact CE1-CB 3.74Å; F256-W349 HydrophobicContact CE1-CD2 4.39Å; F256-W349 AromaticContact CE1-CG 3.95Å; F256-W349 HydrophobicContact CE1-CG 3.95Å; F256-W349 HydrophobicContact CZ-CB 4.16Å; F256-W349 HydrophobicContact CZ-CD2 4.05Å; F256-W349 HydrophobicContact CZ-CE3 4.04Å; F256-W349 HydrophobicContact CZ-CG 4.11Å; F256-P351 HydrophobicContact CB-CB 4.32Å; F256-P351 HydrophobicContact CD1-CB 3.85Å; F256-P351 HydrophobicContact CD1-CG 3.89Å; F256-P351 HydrophobicContact CD2-CB 3.88Å; F256-P351 HydrophobicContact CE1-CB 4.09Å; F256-P351 HydrophobicContact CE1-CG 4.24Å; F256-P351 HydrophobicContact CE2-CB 4.12Å; F256-P351 HydrophobicContact CG-CB 3.74Å; F256-P351 HydrophobicContact CG-CG 4.18Å; F256-P351 HydrophobicContact CZ-CB 4.22Å; F256-A387 HydrophobicContact CE2-CB 3.78Å; F256-A387 HydrophobicContact CZ-CB 3.91Å; F256-Y389 HydrophobicContact CB-CD1 4.18Å; F256-Y389 HydrophobicContact CB-CD2 4.46Å; F256-Y389 HydrophobicContact CB-CE1 4.02Å; F256-Y389 HydrophobicContact CB-CE2 4.28Å; F256-Y389 HydrophobicContact CB-CG 4.42Å; F256-Y389 HydrophobicContact CD2-CD1 4.32Å; F256-Y389 AromaticContact CD2-CD2 3.7Å; F256-Y389 HydrophobicContact CD2-CD2 3.7Å; F256-Y389 HydrophobicContact CD2-CE2 4.21Å; F256-Y389 AromaticContact CD2-CG 3.77Å; F256-Y389 HydrophobicContact CD2-CG 3.77Å; F256-Y389 HydrophobicContact CG-CG 4.46Å
257	T	98.5	Very high	96.3	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-64.2	-46.5	179	-56.3	0	0	0	0	111.8	K253 E254 L260 A261 V268 L292 L305 V307	K253-T257 PolarHBondContact O-N 2.99Å; K253-T257 PolarHBondContact O-OG1 3.06Å; K253-T257 VanDerWaalsContact O-OG1 3.07Å; E254-T257 PolarHBondContact O-N 3Å; T257-L260 PolarHBondContact O-N 3.09Å; T257-A261 WeakPolarHBondContact O-CB 3.41Å; T257-A261 PolarHBondContact O-N 3.05Å; T257-V268 HydrophobicContact CG2-CG1 4.3Å; T257-L292 HydrophobicContact CG2-CD1 4.02Å; T257-L305 HydrophobicContact CG2-CD2 3.75Å; T257-V307 HydrophobicContact CG2-CG2 3.79Å
258	L	98.7	Very high	96.4	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-60.7	-47	175.9	173.3	60.2	0	0	0	110.6	I17 E254 L260 A261 S262 V288 E291 L292 Y295	I17-L258 HydrophobicContact CD1-CD2 4.19Å; E254-L258 WeakPolarHBondContact O-CB 3.42Å; E254-L258 PolarHBondContact O-N 3.45Å; L258-L260 VanDerWaalsContact C-N 3.29Å; L258-L260 PolarHBondContact O-N 2.93Å; L258-A261 PolarHBondContact O-N 3.46Å; L258-S262 PolarHBondContact O-N 3.28Å; L258-S262 PolarHBondContact O-OG 2.92Å; L258-V288 HydrophobicContact CD2-CG1 3.94Å; L258-E291 HydrophobicContact CD1-CB 4.32Å; L258-E291 HydrophobicContact CD1-CG 3.94Å; L258-E291 HydrophobicContact CD2-CB 4.07Å; L258-E291 HydrophobicContact CD2-CG 4.28Å; L258-L292 HydrophobicContact CB-CB 4.44Å; L258-L292 HydrophobicContact CB-CD1 4.3Å; L258-L292 HydrophobicContact CD1-CB 4.46Å; L258-Y295 HydrophobicContact CD1-CD2 4.02Å; L258-Y295 HydrophobicContact CD1-CE2 3.87Å
259	G	98.3	Very high	96.5	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-55.9	-43.1	179.3	0	0	0	0	0	112.6	L229 R255 F256 E263	L229-G259 WeakPolarHBondContact CD2-O 3.45Å; R255-G259 PolarHBondContact O-N 3.29Å; F256-G259 PolarHBondContact O-N 3.4Å; G259-E263 WeakPolarHBondContact O-CB 3.27Å; G259-E263 WeakPolarHBondContact O-CG 3.46Å; G259-E263 PolarHBondContact O-N 3.37Å
260	L	98.6	Very high	96.9	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-66.7	-45.6	172.5	-67.7	179.9	0	0	0	112.5	A228 L229 F256 T257 L258 L264 L305 W349	A228-L260 HydrophobicContact CB-CD2 4.07Å; L229-L260 HydrophobicContact CD2-CD2 3.75Å; L229-L260 HydrophobicContact CG-CD2 3.97Å; F256-L260 HydrophobicContact CD1-CD1 4.17Å; F256-L260 HydrophobicContact CE1-CD1 3.61Å; F256-L260 HydrophobicContact CE1-CG 4.35Å; F256-L260 HydrophobicContact CZ-CD1 4.24Å; F256-L260 PolarHBondContact O-N 3.14Å; T257-L260 PolarHBondContact O-N 3.09Å; L258-L260 VanDerWaalsContact C-N 3.29Å; L258-L260 PolarHBondContact O-N 2.93Å; L260-L264 WeakPolarHBondContact O-CB 2.98Å; L260-L264 PolarHBondContact O-N 2.92Å; L260-L305 HydrophobicContact CB-CD1 3.85Å; L260-L305 HydrophobicContact CD1-CD1 4.35Å; L260-W349 HydrophobicContact CD1-CG 4.37Å
261	A	98.6	Very high	97.2	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-66.4	-44.6	-174.9	0	0	0	0	0	113	T257 L258 N265 L266 V268 Y295	T257-A261 WeakPolarHBondContact O-CB 3.41Å; T257-A261 PolarHBondContact O-N 3.05Å; L258-A261 PolarHBondContact O-N 3.46Å; A261-N265 CarbonylContact O-C 3.54Å; A261-N265 WeakPolarHBondContact O-CA 3.33Å; A261-N265 PolarHBondContact O-N 3.29Å; A261-L266 PolarHBondContact O-N 3.29Å; A261-V268 HydrophobicContact CB-CG2 3.49Å; A261-V268 VanDerWaalsContact CB-CG2 3.49Å; A261-Y295 HydrophobicContact CB-CD1 4.25Å; A261-Y295 HydrophobicContact CB-CG 4.09Å
262	S	98.2	Very high	97.4	Very high	20 Å²	20	27.1 Å²	27.1	14%	0.14	14%	0.136	C	C	.	.	H	α-helix	trans	-72.1	-50.4	-176.5	61	0	0	0	0	112.4	L258 L264 N265 Y295	L258-S262 PolarHBondContact O-N 3.28Å; L258-S262 PolarHBondContact O-OG 2.92Å; S262-L264 VanDerWaalsContact C-N 3.27Å; S262-L264 PolarHBondContact O-N 3.34Å; S262-N265 PolarHBondContact O-N 3.15Å; S262-Y295 VanDerWaalsContact CA-CZ 3.46Å; S262-Y295 WeakPolarHBondContact CA-OH 3.46Å; S262-Y295 WeakPolarHBondContact CB-OH 3.48Å
263	E	97.2	Very high	97.5	Very high	64 Å²	64	30.2 Å²	30.2	30%	0.299	15%	0.152	S	C	.	.	H	α-helix	trans	-71.2	-21.7	-175.6	-65.7	-69.2	158.6	0	0	113.3	S16 I17 L18 L229 G259	S16-E263 WeakPolarHBondContact CB-OE1 3.27Å; S16-E263 PolarHBondContact OG-OE1 3.24Å; I17-E263 PolarHBondContact N-OE1 2.9Å; L18-E263 HydrophobicContact CD1-CG 3.98Å; L229-E263 HydrophobicContact CD1-CB 3.82Å; L229-E263 HydrophobicContact CD1-CG 3.8Å; L229-E263 HydrophobicContact CD2-CB 3.59Å; L229-E263 HydrophobicContact CD2-CG 4.4Å; L229-E263 HydrophobicContact CG-CB 4.38Å; G259-E263 WeakPolarHBondContact O-CB 3.27Å; G259-E263 WeakPolarHBondContact O-CG 3.46Å; G259-E263 PolarHBondContact O-N 3.37Å
264	L	97.3	Very high	97.5	Very high	33 Å²	33	31 Å²	31	17%	0.173	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.8	4.1	175.5	-58.6	172.3	0	0	0	113.1	L229 T232 R233 L236 L260 S262 L266	L229-L264 HydrophobicContact CD2-CD1 3.85Å; L229-L264 HydrophobicContact CD2-CD2 4.41Å; L229-L264 HydrophobicContact CD2-CG 3.72Å; T232-L264 HydrophobicContact CG2-CD1 3.47Å; T232-L264 VanDerWaalsContact CG2-CD1 3.47Å; R233-L264 HydrophobicContact CB-CD2 4.04Å; R233-L264 HydrophobicContact CG-CD2 4.33Å; L236-L264 HydrophobicContact CD1-CD1 4.01Å; L260-L264 WeakPolarHBondContact O-CB 2.98Å; L260-L264 PolarHBondContact O-N 2.92Å; S262-L264 VanDerWaalsContact C-N 3.27Å; S262-L264 PolarHBondContact O-N 3.34Å; L264-L266 VanDerWaalsContact C-N 3.27Å; L264-L266 HydrophobicContact CB-CD1 4.04Å; L264-L266 HydrophobicContact CB-CD2 4.09Å; L264-L266 HydrophobicContact CB-CG 3.74Å; L264-L266 HydrophobicContact CD1-CD1 4.24Å; L264-L266 PolarHBondContact O-N 3Å
265	N	96.7	Very high	97.5	Very high	113 Å²	113	32.5 Å²	32.5	60%	0.604	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.1	45.8	-176.3	-170.2	31.1	0	0	0	113.5	A261 S262	A261-N265 CarbonylContact O-C 3.54Å; A261-N265 WeakPolarHBondContact O-CA 3.33Å; A261-N265 PolarHBondContact O-N 3.29Å; S262-N265 PolarHBondContact O-N 3.15Å
266	L	97.5	Very high	97.5	Very high	8 Å²	8	36.4 Å²	36.4	4%	0.042	18%	0.179	C	C	.	.			trans	-88	133	179.6	-52.2	177.5	0	0	0	109.9	L236 V244 A261 L264 Q304 L305	L236-L266 HydrophobicContact CD1-CD2 4.05Å; V244-L266 HydrophobicContact CG2-CD1 4.21Å; A261-L266 PolarHBondContact O-N 3.29Å; L264-L266 VanDerWaalsContact C-N 3.27Å; L264-L266 HydrophobicContact CB-CD1 4.04Å; L264-L266 HydrophobicContact CB-CD2 4.09Å; L264-L266 HydrophobicContact CB-CG 3.74Å; L264-L266 HydrophobicContact CD1-CD1 4.24Å; L264-L266 PolarHBondContact O-N 3Å; L266-Q304 HydrophobicContact CB-CB 4.24Å; L266-Q304 HydrophobicContact CD2-CB 3.87Å; L266-Q304 HydrophobicContact CD2-CG 4.43Å; L266-L305 HydrophobicContact CB-CB 4.15Å; L266-L305 HydrophobicContact CD1-CB 4.25Å; L266-L305 HydrophobicContact CD1-CD1 4.17Å
267	K	98.1	Very high	97.5	Very high	78 Å²	78	36.7 Å²	36.7	34%	0.339	18%	0.18	S	C	.	.			trans	-74.4	135.4	166.6	-61.9	-53	-175.6	-172.9	0	109.6	Y295 V297 K302 A303 Q304 L305	K267-Y295 WeakPolarHBondContact CA-O 3.16Å; K267-V297 HydrophobicContact CB-CG1 3.83Å; K267-V297 HydrophobicContact CB-CG2 4.19Å; K267-V297 HydrophobicContact CD-CG1 4.07Å; K267-V297 HydrophobicContact CG-CG1 4.01Å; K267-K302 WeakPolarHBondContact CB-O 3.41Å; K267-A303 WeakPolarHBondContact O-CA 3.26Å; K267-A303 WeakPolarHBondContact O-CB 3.28Å; K267-Q304 PolarHBondContact O-N 2.6Å; K267-L305 PolarHBondContact O-N 2.77Å
268	V	98.7	Very high	97.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	133	-172.9	-179.8	0	0	0	0	109.5	T257 A261 L270 L292 Y295 V296 V297 L305 V307	T257-V268 HydrophobicContact CG2-CG1 4.3Å; A261-V268 HydrophobicContact CB-CG2 3.49Å; A261-V268 VanDerWaalsContact CB-CG2 3.49Å; V268-L270 HydrophobicContact CG1-CD2 3.83Å; V268-L270 HydrophobicContact CG1-CG 4.16Å; V268-L292 HydrophobicContact CG2-CD1 4.22Å; V268-Y295 PolarHBondContact N-O 2.85Å; V268-V296 HydrophobicContact CB-CG2 4.32Å; V268-V296 HydrophobicContact CG1-CG2 4.41Å; V268-V296 CarbonylContact O-C 3.53Å; V268-V296 VanDerWaalsContact O-CA 3.26Å; V268-V296 WeakPolarHBondContact O-CA 3.26Å; V268-V297 WeakPolarHBondContact O-CG2 3.14Å; V268-V297 PolarHBondContact O-N 2.87Å; V268-L305 CarbonylContact C-O 3.5Å; V268-L305 VanDerWaalsContact CA-O 3.29Å; V268-L305 WeakPolarHBondContact CA-O 3.37Å; V268-L305 HydrophobicContact CG1-CD2 4.08Å; V268-L305 HydrophobicContact CG2-CB 4.4Å; V268-L305 HydrophobicContact CG2-CD2 4.27Å; V268-V307 HydrophobicContact CG1-CG2 4.38Å
269	W	98.3	Very high	97.5	Very high	47 Å²	47	41.3 Å²	41.3	18%	0.178	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	130.2	165.3	-179.5	81	0	0	0	110.4	P271 S299 S300 A303 L305 H306 V307	W269-P271 HydrophobicContact CH2-CB 4.25Å; W269-P271 HydrophobicContact CH2-CG 4.31Å; W269-P271 HydrophobicContact CZ3-CB 4.49Å; W269-P271 HydrophobicContact CZ3-CG 4.05Å; W269-S299 VanDerWaalsContact CD1-C 3.41Å; W269-S300 VanDerWaalsContact CG-CA 3.49Å; W269-A303 HydrophobicContact CB-CB 3.56Å; W269-L305 PolarHBondContact N-O 3.15Å; W269-H306 HydrophobicContact CE3-CB 4.33Å; W269-V307 PolarHBondContact O-N 2.87Å
270	L	98.1	Very high	97.5	Very high	5 Å²	5	42.6 Å²	42.6	3%	0.026	21%	0.207	C	C	.	.			trans	-111.9	137	179.2	-60.7	176.3	0	0	0	109.4	V268 Q274 N275 I278 V296 V307	V268-L270 HydrophobicContact CG1-CD2 3.83Å; V268-L270 HydrophobicContact CG1-CG 4.16Å; L270-Q274 HydrophobicContact CB-CB 4.45Å; L270-N275 HydrophobicContact CB-CB 3.9Å; L270-N275 HydrophobicContact CD1-CB 4.32Å; L270-I278 HydrophobicContact CD1-CD1 3.54Å; L270-I278 HydrophobicContact CD2-CD1 4.07Å; L270-I278 HydrophobicContact CG-CD1 4.44Å; L270-V296 HydrophobicContact CD1-CG1 4.2Å; L270-V296 HydrophobicContact CD1-CG2 3.54Å; L270-V296 HydrophobicContact CG-CG1 4.39Å; L270-V296 HydrophobicContact CG-CG2 3.97Å; L270-V307 HydrophobicContact CD2-CB 3.74Å; L270-V307 HydrophobicContact CD2-CG1 4.38Å; L270-V307 HydrophobicContact CD2-CG2 3.47Å; L270-V307 VanDerWaalsContact CD2-CG2 3.47Å
271	P	95.9	Very high	97.5	Very high	22 Å²	22	42.6 Å²	42.6	14%	0.143	21%	0.207	C	C	.	.			trans	-60	151.4	167.9	-14.5	25.7	0	0	0	110.5	W269 N273 Q274 N275 V307	W269-P271 HydrophobicContact CH2-CB 4.25Å; W269-P271 HydrophobicContact CH2-CG 4.31Å; W269-P271 HydrophobicContact CZ3-CB 4.49Å; W269-P271 HydrophobicContact CZ3-CG 4.05Å; P271-N273 VanDerWaalsContact C-N 3.26Å; P271-N273 PolarHBondContact O-N 2.97Å; P271-N273 VanDerWaalsContact O-N 3.09Å; P271-Q274 PolarHBondContact O-N 3.05Å; P271-N275 PolarHBondContact O-N 2.85Å; P271-V307 WeakPolarHBondContact CD-O 3.37Å; P271-V307 VanDerWaalsContact CG-O 3.27Å; P271-V307 WeakPolarHBondContact CG-O 3.3Å
272	N	95.5	Very high	97.5	Very high	138 Å²	138	43.4 Å²	43.4	74%	0.738	21%	0.214	S	C	*	.	H	α-helix	trans	-51.2	-42	-170	-69	-10.5	0	0	0	114.1	R276	N272-R276 PolarHBondContact O-N 2.72Å
273	N	93.9	Very high	97.5	Very high	67 Å²	67	49.3 Å²	49.3	36%	0.358	24%	0.239	S	C	.	.	H	α-helix	trans	-65.3	-50.6	178.9	-171.2	61.6	0	0	0	111.5	P271 N275 R276 L277	P271-N273 VanDerWaalsContact C-N 3.26Å; P271-N273 PolarHBondContact O-N 2.97Å; P271-N273 VanDerWaalsContact O-N 3.09Å; N273-N275 VanDerWaalsContact C-N 3.33Å; N273-N275 PolarHBondContact O-N 3.29Å; N273-R276 WeakPolarHBondContact O-CB 3.12Å; N273-R276 PolarHBondContact O-N 3.41Å; N273-R276 VanDerWaalsContact O-N 3.14Å; N273-R276 PolarHBondContact OD1-NH2 3.29Å; N273-L277 WeakPolarHBondContact O-CG 3.43Å; N273-L277 PolarHBondContact O-N 3.14Å
274	Q	95.3	Very high	97.5	Very high	19 Å²	19	47 Å²	47	9%	0.089	23%	0.233	C	C	.	.	H	α-helix	trans	-58.5	-43.9	176.6	-76.9	73	7.6	0	0	111.6	Y249 L270 P271 R276 L277 I278	Y249-Q274 PolarHBondContact O-NE2 3.41Å; L270-Q274 HydrophobicContact CB-CB 4.45Å; P271-Q274 PolarHBondContact O-N 3.05Å; Q274-R276 VanDerWaalsContact C-N 3.29Å; Q274-R276 PolarHBondContact O-N 3.27Å; Q274-L277 PolarHBondContact O-N 3.17Å; Q274-I278 WeakPolarHBondContact O-CB 3.47Å; Q274-I278 WeakPolarHBondContact O-CG1 2.98Å; Q274-I278 PolarHBondContact O-N 3.02Å
275	N	97.4	Very high	97.5	Very high	36 Å²	36	47.8 Å²	47.8	19%	0.193	25%	0.249	C	C	.	.	H	α-helix	trans	-58.5	-42	176.4	-168.4	31.2	0	0	0	111.8	L270 P271 N273 K279	L270-N275 HydrophobicContact CB-CB 3.9Å; L270-N275 HydrophobicContact CD1-CB 4.32Å; P271-N275 PolarHBondContact O-N 2.85Å; N273-N275 VanDerWaalsContact C-N 3.33Å; N273-N275 PolarHBondContact O-N 3.29Å; N275-K279 VanDerWaalsContact O-CG 3.27Å; N275-K279 WeakPolarHBondContact O-CG 3.32Å; N275-K279 PolarHBondContact O-N 3.42Å; N275-K279 VanDerWaalsContact O-N 3.15Å; N275-K279 WeakPolarHBondContact OD1-CE 3.49Å
276	R	97.9	Very high	97.6	Very high	113 Å²	113	43.3 Å²	43.3	43%	0.426	23%	0.226	S	C	.	.	H	α-helix	trans	-63.8	-48.9	176.6	-169.1	176.4	75.8	-124.6	-5.8	111.6	D118 N272 N273 Q274 K279 L280	D118-R276 VanDerWaalsContact CG-NE 3.27Å; D118-R276 VanDerWaalsContact OD1-CD 3.29Å; D118-R276 WeakPolarHBondContact OD1-CD 3.46Å; D118-R276 IonicContact OD1-CZ 2.8Å; D118-R276 IonicContact OD1-NE 3.45Å; D118-R276 PolarHBondContact OD1-NE 3.4Å; D118-R276 IonicContact OD2-CZ 3.86Å; D118-R276 VanDerWaalsContact OD2-CZ 3.26Å; D118-R276 IonicContact OD2-NE 3.65Å; D118-R276 PolarHBondContact OD2-NE 2.97Å; D118-R276 IonicContact OD2-NH2 3.74Å; D118-R276 PolarHBondContact OD2-NH2 3.26Å; N272-R276 PolarHBondContact O-N 2.72Å; N273-R276 WeakPolarHBondContact O-CB 3.12Å; N273-R276 PolarHBondContact O-N 3.41Å; N273-R276 VanDerWaalsContact O-N 3.14Å; N273-R276 PolarHBondContact OD1-NH2 3.29Å; Q274-R276 VanDerWaalsContact C-N 3.29Å; Q274-R276 PolarHBondContact O-N 3.27Å; R276-K279 PolarHBondContact O-N 3.09Å; R276-L280 HydrophobicContact CG-CD1 4.28Å; R276-L280 WeakPolarHBondContact O-CG 3.5Å; R276-L280 PolarHBondContact O-N 2.88Å
277	L	98.1	Very high	97.6	Very high	6 Å²	6	45.8 Å²	45.8	3%	0.031	24%	0.244	C	C	.	.	H	α-helix	trans	-65.1	-41	-178.4	-59.7	-179.7	0	0	0	112.5	L115 N273 Q274 K279 L280 A281	L115-L277 HydrophobicContact CD2-CB 4.02Å; L115-L277 HydrophobicContact CD2-CD2 3.71Å; L115-L277 HydrophobicContact CD2-CG 4.4Å; N273-L277 WeakPolarHBondContact O-CG 3.43Å; N273-L277 PolarHBondContact O-N 3.14Å; Q274-L277 PolarHBondContact O-N 3.17Å; L277-K279 VanDerWaalsContact C-N 3.34Å; L277-K279 PolarHBondContact O-N 2.89Å; L277-L280 HydrophobicContact CD2-CD1 4.46Å; L277-L280 PolarHBondContact O-N 3.22Å; L277-A281 WeakPolarHBondContact O-CB 3.02Å; L277-A281 PolarHBondContact O-N 3.1Å
278	I	98.4	Very high	97.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-63.8	-39.2	176.3	-72.3	165.7	0	0	0	111	M248 E254 L270 Q274 A281 A282 C289 L292 L293	M248-I278 HydrophobicContact CE-CD1 4.2Å; M248-I278 HydrophobicContact SD-CD1 4.46Å; E254-I278 HydrophobicContact CG-CD1 4.41Å; E254-I278 HydrophobicContact CG-CG1 4.29Å; L270-I278 HydrophobicContact CD1-CD1 3.54Å; L270-I278 HydrophobicContact CD2-CD1 4.07Å; L270-I278 HydrophobicContact CG-CD1 4.44Å; Q274-I278 WeakPolarHBondContact O-CB 3.47Å; Q274-I278 WeakPolarHBondContact O-CG1 2.98Å; Q274-I278 PolarHBondContact O-N 3.02Å; I278-A281 PolarHBondContact O-N 2.92Å; I278-A282 WeakPolarHBondContact O-CB 3.4Å; I278-A282 PolarHBondContact O-N 3.39Å; I278-C289 HydrophobicContact CG2-CB 3.9Å; I278-L292 HydrophobicContact CD1-CD2 3.97Å; I278-L293 HydrophobicContact CG2-CD1 4.33Å; I278-L293 HydrophobicContact CG2-CD2 3.92Å; I278-L293 HydrophobicContact CG2-CG 3.87Å
279	K	98.7	Very high	97.6	Very high	98 Å²	98	42.8 Å²	42.8	43%	0.426	23%	0.232	S	C	.	.	H	α-helix	trans	-62.1	-45.3	173.8	-74.8	173.8	-179.9	-178	0	112.3	N275 R276 L277 A281 A282 Q283 L293	N275-K279 VanDerWaalsContact O-CG 3.27Å; N275-K279 WeakPolarHBondContact O-CG 3.32Å; N275-K279 PolarHBondContact O-N 3.42Å; N275-K279 VanDerWaalsContact O-N 3.15Å; N275-K279 WeakPolarHBondContact OD1-CE 3.49Å; R276-K279 PolarHBondContact O-N 3.09Å; L277-K279 VanDerWaalsContact C-N 3.34Å; L277-K279 PolarHBondContact O-N 2.89Å; K279-A281 VanDerWaalsContact C-N 3.33Å; K279-A281 PolarHBondContact O-N 3.05Å; K279-A282 PolarHBondContact O-N 2.94Å; K279-Q283 VanDerWaalsContact O-CG 3.27Å; K279-Q283 WeakPolarHBondContact O-CG 3.31Å; K279-Q283 PolarHBondContact O-N 2.93Å; K279-L293 HydrophobicContact CG-CD1 4.07Å; K279-L293 HydrophobicContact CG-CD2 3.81Å
280	L	98.7	Very high	97.6	Very high	28 Å²	28	47.5 Å²	47.5	15%	0.147	25%	0.254	C	S	.	.	H	α-helix	trans	-63.2	-39.6	177.3	-69.9	166.1	0	0	0	112	N114 L115 D118 R276 L277 Q283 G284	N114-L280 HydrophobicContact CB-CB 4.29Å; N114-L280 HydrophobicContact CB-CD2 4.38Å; L115-L280 HydrophobicContact CD2-CB 3.98Å; L115-L280 HydrophobicContact CD2-CD1 4.28Å; D118-L280 HydrophobicContact CB-CD1 3.45Å; D118-L280 VanDerWaalsContact CB-CD1 3.45Å; R276-L280 HydrophobicContact CG-CD1 4.28Å; R276-L280 WeakPolarHBondContact O-CG 3.5Å; R276-L280 PolarHBondContact O-N 2.88Å; L277-L280 HydrophobicContact CD2-CD1 4.46Å; L277-L280 PolarHBondContact O-N 3.22Å; L280-Q283 PolarHBondContact O-N 2.76Å; L280-G284 PolarHBondContact O-N 2.7Å
281	A	98.6	Very high	97.6	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-66.9	-40.6	175.2	0	0	0	0	0	112.3	V111 P151 I251 L277 I278 K279 G284 G285 C286 C289	V111-A281 HydrophobicContact CG1-CB 3.84Å; P151-A281 HydrophobicContact CB-CB 3.9Å; I251-A281 HydrophobicContact CD1-CB 3.98Å; L277-A281 WeakPolarHBondContact O-CB 3.02Å; L277-A281 PolarHBondContact O-N 3.1Å; I278-A281 PolarHBondContact O-N 2.92Å; K279-A281 VanDerWaalsContact C-N 3.33Å; K279-A281 PolarHBondContact O-N 3.05Å; A281-G284 CarbonylContact O-C 3.45Å; A281-G284 PolarHBondContact O-N 3.07Å; A281-G285 PolarHBondContact O-N 3.04Å; A281-C286 HydrophobicContact CB-CB 4.25Å; A281-C286 VanDerWaalsContact O-CB 3.22Å; A281-C286 WeakPolarHBondContact O-CB 3.34Å; A281-C286 PolarHBondContact O-N 3.26Å; A281-C289 HydrophobicContact CB-CB 4.19Å
282	A	98.7	Very high	97.8	Very high	17 Å²	17	48.8 Å²	48.8	14%	0.14	26%	0.258	C	S	.	.	H	α-helix	trans	-62.8	-42.2	174	0	0	0	0	0	112	I278 K279 G284 G285 C289 K290 L293	I278-A282 WeakPolarHBondContact O-CB 3.4Å; I278-A282 PolarHBondContact O-N 3.39Å; K279-A282 PolarHBondContact O-N 2.94Å; A282-G284 VanDerWaalsContact C-N 3.27Å; A282-G284 PolarHBondContact O-N 3.06Å; A282-G285 PolarHBondContact O-N 2.9Å; A282-C289 HydrophobicContact CB-CB 3.93Å; A282-K290 HydrophobicContact CB-CB 4.17Å; A282-L293 HydrophobicContact CB-CD1 3.59Å
283	Q	98.5	Very high	97.9	Very high	143 Å²	143	44.4 Å²	44.4	67%	0.668	23%	0.234	S	C	*	.	H	α-helix	trans	-63.4	-33.3	174.3	-72	167	-5	0	0	112.3	K279 L280 G285	K279-Q283 VanDerWaalsContact O-CG 3.27Å; K279-Q283 WeakPolarHBondContact O-CG 3.31Å; K279-Q283 PolarHBondContact O-N 2.93Å; L280-Q283 PolarHBondContact O-N 2.76Å; Q283-G285 PolarHBondContact O-N 2.75Å
284	G	97.9	Very high	98.1	Very high	16 Å²	16	47.5 Å²	47.5	17%	0.165	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	4.8	173	0	0	0	0	0	114.8	V111 L280 A281 A282	V111-G284 WeakPolarHBondContact CG2-O 3.37Å; L280-G284 PolarHBondContact O-N 2.7Å; A281-G284 CarbonylContact O-C 3.45Å; A281-G284 PolarHBondContact O-N 3.07Å; A282-G284 VanDerWaalsContact C-N 3.27Å; A282-G284 PolarHBondContact O-N 3.06Å
285	G	97	Very high	98.3	Very high	49 Å²	49	48.5 Å²	48.5	51%	0.505	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	99.4	6	174.8	0	0	0	0	0	116	A281 A282 Q283 S287	A281-G285 PolarHBondContact O-N 3.04Å; A282-G285 PolarHBondContact O-N 2.9Å; Q283-G285 PolarHBondContact O-N 2.75Å; G285-S287 PolarHBondContact O-N 2.74Å; G285-S287 VanDerWaalsContact O-N 3.14Å
286	C	98.2	Very high	98.3	Very high	20 Å²	20	48.2 Å²	48.2	14%	0.135	25%	0.25	C	C	.	.			trans	-70.4	110.4	176.7	-178.5	0	0	0	0	111.6	V111 P151 A281 C289 K290	V111-C286 HydrophobicContact CG2-CB 4.38Å; P151-C286 HydrophobicContact CB-CB 4.07Å; A281-C286 HydrophobicContact CB-CB 4.25Å; A281-C286 VanDerWaalsContact O-CB 3.22Å; A281-C286 WeakPolarHBondContact O-CB 3.34Å; A281-C286 PolarHBondContact O-N 3.26Å; C286-C289 HydrophobicContact CB-CB 3.98Å; C286-C289 PolarHBondContact O-N 3.09Å; C286-K290 PolarHBondContact O-N 3.2Å
287	S	97.7	Very high	98.3	Very high	59 Å²	59	44.3 Å²	44.3	41%	0.413	24%	0.238	S	C	.	.	H	α-helix	trans	-59.7	-46.5	179.2	53.8	0	0	0	0	112.8	G285 C289 K290 E291	G285-S287 PolarHBondContact O-N 2.74Å; G285-S287 VanDerWaalsContact O-N 3.14Å; S287-C289 VanDerWaalsContact C-N 3.31Å; S287-C289 PolarHBondContact O-N 3.19Å; S287-K290 WeakPolarHBondContact O-CB 3.2Å; S287-K290 PolarHBondContact O-N 2.93Å; S287-K290 VanDerWaalsContact O-N 3.15Å; S287-E291 PolarHBondContact O-N 3.06Å
288	V	98.1	Very high	98.2	Very high	16 Å²	16	50 Å²	50	10%	0.097	27%	0.268	C	S	.	.	H	α-helix	trans	-57.9	-44.1	178.7	178.9	0	0	0	0	111.2	E254 R255 L258 E291 L292	E254-V288 HydrophobicContact CB-CG1 3.67Å; R255-V288 HydrophobicContact CB-CG1 4.44Å; R255-V288 HydrophobicContact CG-CB 4.43Å; R255-V288 HydrophobicContact CG-CG1 3.76Å; R255-V288 HydrophobicContact CG-CG2 3.85Å; L258-V288 HydrophobicContact CD2-CG1 3.94Å; V288-E291 PolarHBondContact O-N 3.07Å; V288-L292 WeakPolarHBondContact O-CB 2.98Å; V288-L292 PolarHBondContact O-N 3.38Å
289	C	98.6	Very high	97.9	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-67.1	-43	177.4	-69.4	0	0	0	0	111.6	P151 I278 A281 A282 C286 S287 E291 L292 L293	P151-C289 VanDerWaalsContact CG-SG 3.59Å; I278-C289 HydrophobicContact CG2-CB 3.9Å; A281-C289 HydrophobicContact CB-CB 4.19Å; A282-C289 HydrophobicContact CB-CB 3.93Å; C286-C289 HydrophobicContact CB-CB 3.98Å; C286-C289 PolarHBondContact O-N 3.09Å; S287-C289 VanDerWaalsContact C-N 3.31Å; S287-C289 PolarHBondContact O-N 3.19Å; C289-E291 VanDerWaalsContact C-N 3.27Å; C289-E291 PolarHBondContact O-N 3.38Å; C289-L292 PolarHBondContact O-N 3.35Å; C289-L293 VanDerWaalsContact O-CG 3.26Å; C289-L293 WeakPolarHBondContact O-CG 2.91Å; C289-L293 PolarHBondContact O-N 2.92Å; C289-L293 VanDerWaalsContact O-N 3.07Å
290	K	98.6	Very high	97.6	Very high	145 Å²	145	48 Å²	48	63%	0.63	27%	0.267	S	S	*	.	H	α-helix	trans	-59.1	-40	177.7	-175.4	177.6	-179.7	177.8	0	111.7	A282 C286 S287	A282-K290 HydrophobicContact CB-CB 4.17Å; C286-K290 PolarHBondContact O-N 3.2Å; S287-K290 WeakPolarHBondContact O-CB 3.2Å; S287-K290 PolarHBondContact O-N 2.93Å; S287-K290 VanDerWaalsContact O-N 3.15Å
291	E	98.5	Very high	97.1	Very high	54 Å²	54	52.3 Å²	52.3	25%	0.252	29%	0.286	S	S	.	.	H	α-helix	trans	-75.5	-43.6	178.1	-167.3	177.8	155.7	0	0	112.5	I17 L258 S287 V288 C289 L293 Q294 Y295	I17-E291 WeakPolarHBondContact CD1-OE1 3.05Å; I17-E291 WeakPolarHBondContact CD1-OE2 3.17Å; L258-E291 HydrophobicContact CD1-CB 4.32Å; L258-E291 HydrophobicContact CD1-CG 3.94Å; L258-E291 HydrophobicContact CD2-CB 4.07Å; L258-E291 HydrophobicContact CD2-CG 4.28Å; S287-E291 PolarHBondContact O-N 3.06Å; V288-E291 PolarHBondContact O-N 3.07Å; C289-E291 VanDerWaalsContact C-N 3.27Å; C289-E291 PolarHBondContact O-N 3.38Å; E291-L293 PolarHBondContact O-N 3.01Å; E291-Q294 VanDerWaalsContact O-CB 3.25Å; E291-Q294 WeakPolarHBondContact O-CB 3.21Å; E291-Q294 WeakPolarHBondContact O-CG 3.27Å; E291-Q294 PolarHBondContact O-N 3.15Å; E291-Y295 HydrophobicContact CG-CE2 4.44Å; E291-Y295 WeakPolarHBondContact O-CD2 3.18Å
292	L	98.5	Very high	96.7	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-54.4	-39.3	175.8	178.8	58.1	0	0	0	111.6	E254 T257 L258 V268 I278 V288 C289 Q294 Y295 V296	E254-L292 HydrophobicContact CB-CD2 4.07Å; E254-L292 HydrophobicContact CG-CD2 4.23Å; T257-L292 HydrophobicContact CG2-CD1 4.02Å; L258-L292 HydrophobicContact CB-CB 4.44Å; L258-L292 HydrophobicContact CB-CD1 4.3Å; L258-L292 HydrophobicContact CD1-CB 4.46Å; V268-L292 HydrophobicContact CG2-CD1 4.22Å; I278-L292 HydrophobicContact CD1-CD2 3.97Å; V288-L292 WeakPolarHBondContact O-CB 2.98Å; V288-L292 PolarHBondContact O-N 3.38Å; C289-L292 PolarHBondContact O-N 3.35Å; L292-Q294 PolarHBondContact O-N 3.48Å; L292-Q294 VanDerWaalsContact O-N 3.14Å; L292-Y295 PolarHBondContact O-N 2.96Å; L292-V296 WeakPolarHBondContact O-CG2 3.32Å; L292-V296 PolarHBondContact O-N 3Å
293	L	98.6	Very high	96.5	Very high	46 Å²	46	57.2 Å²	57.2	24%	0.241	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-21.8	177	-72.7	168.8	0	0	0	114.1	I278 K279 A282 C289 E291 Y295 V296	I278-L293 HydrophobicContact CG2-CD1 4.33Å; I278-L293 HydrophobicContact CG2-CD2 3.92Å; I278-L293 HydrophobicContact CG2-CG 3.87Å; K279-L293 HydrophobicContact CG-CD1 4.07Å; K279-L293 HydrophobicContact CG-CD2 3.81Å; A282-L293 HydrophobicContact CB-CD1 3.59Å; C289-L293 VanDerWaalsContact O-CG 3.26Å; C289-L293 WeakPolarHBondContact O-CG 2.91Å; C289-L293 PolarHBondContact O-N 2.92Å; C289-L293 VanDerWaalsContact O-N 3.07Å; E291-L293 PolarHBondContact O-N 3.01Å; L293-Y295 PolarHBondContact O-N 2.9Å; L293-V296 HydrophobicContact CD2-CG2 4.34Å; L293-V296 PolarHBondContact O-N 3.05Å
294	Q	98.4	Very high	96.3	Very high	133 Å²	133	53.6 Å²	53.6	62%	0.621	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-21.8	174.8	-56.2	179.1	22.2	0	0	112.5	E291 L292	E291-Q294 VanDerWaalsContact O-CB 3.25Å; E291-Q294 WeakPolarHBondContact O-CB 3.21Å; E291-Q294 WeakPolarHBondContact O-CG 3.27Å; E291-Q294 PolarHBondContact O-N 3.15Å; L292-Q294 PolarHBondContact O-N 3.48Å; L292-Q294 VanDerWaalsContact O-N 3.14Å
295	Y	98.6	Very high	96.4	Very high	39 Å²	39	52.9 Å²	52.9	15%	0.153	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-13.8	177.2	-61.7	-89.6	0	0	0	112.5	L258 A261 S262 K267 V268 E291 L292 L293	L258-Y295 HydrophobicContact CD1-CD2 4.02Å; L258-Y295 HydrophobicContact CD1-CE2 3.87Å; A261-Y295 HydrophobicContact CB-CD1 4.25Å; A261-Y295 HydrophobicContact CB-CG 4.09Å; S262-Y295 VanDerWaalsContact CA-CZ 3.46Å; S262-Y295 WeakPolarHBondContact CA-OH 3.46Å; S262-Y295 WeakPolarHBondContact CB-OH 3.48Å; K267-Y295 WeakPolarHBondContact CA-O 3.16Å; V268-Y295 PolarHBondContact N-O 2.85Å; E291-Y295 HydrophobicContact CG-CE2 4.44Å; E291-Y295 WeakPolarHBondContact O-CD2 3.18Å; L292-Y295 PolarHBondContact O-N 2.96Å; L293-Y295 PolarHBondContact O-N 2.9Å
296	V	98.6	Very high	96.4	Very high	31 Å²	31	50.5 Å²	50.5	19%	0.188	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-74	132.3	-175.3	175.4	0	0	0	0	111.4	V268 L270 L292 L293	V268-V296 HydrophobicContact CB-CG2 4.32Å; V268-V296 HydrophobicContact CG1-CG2 4.41Å; V268-V296 CarbonylContact O-C 3.53Å; V268-V296 VanDerWaalsContact O-CA 3.26Å; V268-V296 WeakPolarHBondContact O-CA 3.26Å; L270-V296 HydrophobicContact CD1-CG1 4.2Å; L270-V296 HydrophobicContact CD1-CG2 3.54Å; L270-V296 HydrophobicContact CG-CG1 4.39Å; L270-V296 HydrophobicContact CG-CG2 3.97Å; L292-V296 WeakPolarHBondContact O-CG2 3.32Å; L292-V296 PolarHBondContact O-N 3Å; L293-V296 HydrophobicContact CD2-CG2 4.34Å; L293-V296 PolarHBondContact O-N 3.05Å
297	V	97.8	Very high	96.4	Very high	31 Å²	31	49.6 Å²	49.6	19%	0.188	25%	0.25	C	C	.	.			trans	-113.7	156.9	174	-66.8	0	0	0	0	111.6	K267 V268 S299 K302 A303	K267-V297 HydrophobicContact CB-CG1 3.83Å; K267-V297 HydrophobicContact CB-CG2 4.19Å; K267-V297 HydrophobicContact CD-CG1 4.07Å; K267-V297 HydrophobicContact CG-CG1 4.01Å; V268-V297 WeakPolarHBondContact O-CG2 3.14Å; V268-V297 PolarHBondContact O-N 2.87Å; V297-S299 VanDerWaalsContact C-N 3.32Å; V297-S299 WeakPolarHBondContact CG2-O 3.24Å; V297-S299 PolarHBondContact O-N 3.32Å; V297-K302 HydrophobicContact CB-CB 4.25Å; V297-K302 HydrophobicContact CG2-CB 3.99Å; V297-A303 HydrophobicContact CG2-CB 3.79Å
298	D	94.5	Very high	96.4	Very high	124 Å²	124	47 Å²	47	66%	0.663	23%	0.231	S	C	*	.	S	Bend	trans	-70.1	-22.6	-176.4	60.4	-9.1	0	0	0	114.4	K302	D298-K302 VanDerWaalsContact CG-NZ 3.31Å; D298-K302 WeakPolarHBondContact OD1-CD 3.47Å; D298-K302 WeakPolarHBondContact OD1-CE 3.48Å; D298-K302 IonicContact OD1-NZ 2.92Å; D298-K302 PolarHBondContact OD1-NZ 2.88Å; D298-K302 IonicContact OD2-NZ 3.7Å; D298-K302 PolarHBondContact OD2-NZ 2.91Å
299	S	92.4	Very high	96.3	Very high	36 Å²	36	48.1 Å²	48.1	25%	0.252	24%	0.239	S	C	.	.			trans	-133.9	138.1	-173.8	176.5	0	0	0	0	112.2	W269 V297 H301 K302	W269-S299 VanDerWaalsContact CD1-C 3.41Å; V297-S299 VanDerWaalsContact C-N 3.32Å; V297-S299 WeakPolarHBondContact CG2-O 3.24Å; V297-S299 PolarHBondContact O-N 3.32Å; S299-H301 PolarHBondContact O-N 3.03Å; S299-H301 PolarHBondContact OG-N 3.37Å; S299-K302 PolarHBondContact O-N 3.26Å; S299-K302 VanDerWaalsContact O-N 3.09Å
300	S	92.6	Very high	96.1	Very high	22 Å²	22	48.7 Å²	48.7	15%	0.154	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-61.3	-26.8	176.9	55.2	0	0	0	0	112.7	W269 K302 A303 H306	W269-S300 VanDerWaalsContact CG-CA 3.49Å; S300-K302 PolarHBondContact O-N 2.63Å; S300-A303 PolarHBondContact O-N 3.19Å; S300-H306 PolarHBondContact O-NE2 2.7Å
301	H	87.7	Confident	95.7	Very high	118 Å²	118	48.5 Å²	48.5	55%	0.546	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-70.1	-20.6	178.6	-61.9	-71	0	0	0	113.2	S299 L329	S299-H301 PolarHBondContact O-N 3.03Å; S299-H301 PolarHBondContact OG-N 3.37Å; H301-L329 WeakPolarHBondContact O-CD1 3.42Å
302	K	90.5	Very high	95.6	Very high	117 Å²	117	50 Å²	50	51%	0.509	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	-91	-0.8	178.2	-59.3	178.5	-170	165.2	0	112.8	K267 V297 D298 S299 S300	K267-K302 WeakPolarHBondContact CB-O 3.41Å; V297-K302 HydrophobicContact CB-CB 4.25Å; V297-K302 HydrophobicContact CG2-CB 3.99Å; D298-K302 VanDerWaalsContact CG-NZ 3.31Å; D298-K302 WeakPolarHBondContact OD1-CD 3.47Å; D298-K302 WeakPolarHBondContact OD1-CE 3.48Å; D298-K302 IonicContact OD1-NZ 2.92Å; D298-K302 PolarHBondContact OD1-NZ 2.88Å; D298-K302 IonicContact OD2-NZ 3.7Å; D298-K302 PolarHBondContact OD2-NZ 2.91Å; S299-K302 PolarHBondContact O-N 3.26Å; S299-K302 VanDerWaalsContact O-N 3.09Å; S300-K302 PolarHBondContact O-N 2.63Å
303	A	94.8	Very high	95.4	Very high	2 Å²	2	50 Å²	50	2%	0.017	25%	0.25	C	C	.	.			trans	-109	143.4	-172.2	0	0	0	0	0	113.2	K267 W269 V297 S300	K267-A303 WeakPolarHBondContact O-CA 3.26Å; K267-A303 WeakPolarHBondContact O-CB 3.28Å; W269-A303 HydrophobicContact CB-CB 3.56Å; V297-A303 HydrophobicContact CG2-CB 3.79Å; S300-A303 PolarHBondContact O-N 3.19Å
304	Q	95.5	Very high	95.3	Very high	68 Å²	68	50.3 Å²	50.3	32%	0.318	25%	0.252	S	S	.	.	S	Bend	trans	-97.2	-22.1	170.8	-60.4	82.8	3	0	0	111.8	V244 L266 K267	V244-Q304 PolarHBondContact N-O 3.39Å; L266-Q304 HydrophobicContact CB-CB 4.24Å; L266-Q304 HydrophobicContact CD2-CB 3.87Å; L266-Q304 HydrophobicContact CD2-CG 4.43Å; K267-Q304 PolarHBondContact O-N 2.6Å
305	L	98.3	Very high	95.1	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	121.9	177.5	-170.2	158.5	0	0	0	110.3	V244 C246 T257 L260 L266 K267 V268 W269 V307	V244-L305 HydrophobicContact CB-CB 4.35Å; V244-L305 HydrophobicContact CB-CG 4.26Å; V244-L305 HydrophobicContact CG1-CD1 4.16Å; V244-L305 HydrophobicContact CG1-CG 4.14Å; V244-L305 CarbonylContact O-C 3.57Å; V244-L305 VanDerWaalsContact O-CA 3.27Å; V244-L305 WeakPolarHBondContact O-CA 3.27Å; C246-L305 HydrophobicContact CB-CD2 4.3Å; T257-L305 HydrophobicContact CG2-CD2 3.75Å; L260-L305 HydrophobicContact CB-CD1 3.85Å; L260-L305 HydrophobicContact CD1-CD1 4.35Å; L266-L305 HydrophobicContact CB-CB 4.15Å; L266-L305 HydrophobicContact CD1-CB 4.25Å; L266-L305 HydrophobicContact CD1-CD1 4.17Å; K267-L305 PolarHBondContact O-N 2.77Å; V268-L305 CarbonylContact C-O 3.5Å; V268-L305 VanDerWaalsContact CA-O 3.29Å; V268-L305 WeakPolarHBondContact CA-O 3.37Å; V268-L305 HydrophobicContact CG1-CD2 4.08Å; V268-L305 HydrophobicContact CG2-CB 4.4Å; V268-L305 HydrophobicContact CG2-CD2 4.27Å; W269-L305 PolarHBondContact N-O 3.15Å; L305-V307 HydrophobicContact CD2-CG2 4.22Å
306	H	98.2	Very high	95	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	137.3	173.7	-65.2	-177.8	0	0	0	110.9	L243 V244 V245 C246 W269 S300 Y321	L243-H306 HydrophobicContact CD1-CB 4.4Å; V244-H306 PolarHBondContact O-N 3.01Å; V245-H306 CarbonylContact C-O 3.58Å; V245-H306 VanDerWaalsContact CA-O 3.24Å; V245-H306 WeakPolarHBondContact CA-O 3.44Å; C246-H306 PolarHBondContact N-O 2.83Å; W269-H306 HydrophobicContact CE3-CB 4.33Å; S300-H306 PolarHBondContact O-NE2 2.7Å; H306-Y321 AromaticContact ND1-CE1 3.66Å; H306-Y321 AromaticContact ND1-CZ 3.63Å; H306-Y321 PolarHBondContact ND1-OH 2.84Å
307	V	98.5	Very high	94.9	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	133	168	172.4	0	0	0	0	109.6	C246 M248 T257 V268 W269 L270 P271 L305	C246-V307 WeakPolarHBondContact O-CA 3.49Å; M248-V307 HydrophobicContact CB-CG1 3.44Å; M248-V307 VanDerWaalsContact CB-CG1 3.44Å; M248-V307 HydrophobicContact CG-CG1 4.23Å; M248-V307 HydrophobicContact SD-CG1 3.83Å; T257-V307 HydrophobicContact CG2-CG2 3.79Å; V268-V307 HydrophobicContact CG1-CG2 4.38Å; W269-V307 PolarHBondContact O-N 2.87Å; L270-V307 HydrophobicContact CD2-CB 3.74Å; L270-V307 HydrophobicContact CD2-CG1 4.38Å; L270-V307 HydrophobicContact CD2-CG2 3.47Å; L270-V307 VanDerWaalsContact CD2-CG2 3.47Å; P271-V307 WeakPolarHBondContact CD-O 3.37Å; P271-V307 VanDerWaalsContact CG-O 3.27Å; P271-V307 WeakPolarHBondContact CG-O 3.3Å; L305-V307 HydrophobicContact CD2-CG2 4.22Å
308	L	97.6	Very high	94.9	Very high	5 Å²	5	44.5 Å²	44.5	3%	0.026	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	155.7	173.7	-65.8	-176.2	0	0	0	111.4	V245 C246 G247 M248 M310 L313 L318 Y321	V245-L308 HydrophobicContact CG1-CB 4.08Å; V245-L308 HydrophobicContact CG1-CD1 3.62Å; V245-L308 HydrophobicContact CG1-CG 3.76Å; C246-L308 PolarHBondContact O-N 3.42Å; G247-L308 WeakPolarHBondContact CA-O 3.46Å; M248-L308 PolarHBondContact N-O 3.25Å; L308-M310 PolarHBondContact O-N 2.75Å; L308-L313 HydrophobicContact CB-CD2 3.79Å; L308-L318 HydrophobicContact CD1-CD2 4.17Å; L308-Y321 HydrophobicContact CD1-CD1 3.72Å; L308-Y321 HydrophobicContact CD1-CD2 4.01Å; L308-Y321 HydrophobicContact CD1-CE1 3.83Å; L308-Y321 HydrophobicContact CD1-CE2 4.15Å; L308-Y321 HydrophobicContact CD1-CG 3.8Å; L308-Y321 HydrophobicContact CD2-CD2 4.23Å; L308-Y321 HydrophobicContact CD2-CE1 4.33Å; L308-Y321 HydrophobicContact CD2-CE2 3.71Å; L308-Y321 HydrophobicContact CG-CE1 4.41Å
309	P	95.6	Very high	94.9	Very high	39 Å²	39	40.3 Å²	40.3	25%	0.253	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.2	135.3	171.1	-23.5	33.3	0	0	0	111.5	M248 Q311 Q312 L313	M248-P309 WeakPolarHBondContact O-CA 3.34Å; P309-Q311 PolarHBondContact O-N 3.35Å; P309-Q312 WeakPolarHBondContact O-CB 3.46Å; P309-Q312 PolarHBondContact O-N 3.24Å; P309-L313 WeakPolarHBondContact O-CD2 3.49Å
310	M	93.3	Very high	95	Very high	13 Å²	13	45.6 Å²	45.6	6%	0.064	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-50.4	-30.8	-177.7	-168.4	63.2	72.1	0	0	114.1	G247 M248 Y249 L308 Q312 L313 R350 P351	G247-M310 WeakPolarHBondContact O-CE 3.31Å; M248-M310 PolarHBondContact O-N 3.33Å; M248-M310 VanDerWaalsContact O-N 3.09Å; Y249-M310 HydrophobicContact CD1-CB 4.47Å; Y249-M310 HydrophobicContact CE1-CB 4.24Å; Y249-M310 HydrophobicContact CE1-CG 4.45Å; L308-M310 PolarHBondContact O-N 2.75Å; M310-Q312 VanDerWaalsContact C-N 3.28Å; M310-Q312 PolarHBondContact O-N 2.95Å; M310-L313 PolarHBondContact O-N 2.86Å; M310-R350 PolarHBondContact O-NH1 3.09Å; M310-R350 HydrophobicContact SD-CB 4.22Å; M310-R350 HydrophobicContact SD-CG 4.22Å; M310-P351 HydrophobicContact CE-CG 4.33Å
311	Q	92	Very high	95.1	Very high	141 Å²	141	45.5 Å²	45.5	66%	0.659	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-67.5	-26	178.5	-58.3	84.2	-6.9	0	0	113.1	P309 L313 N314	P309-Q311 PolarHBondContact O-N 3.35Å; Q311-L313 VanDerWaalsContact C-N 3.35Å; Q311-N314 PolarHBondContact O-ND2 2.86Å
312	Q	94.9	Very high	95.3	Very high	84 Å²	84	40.8 Å²	40.8	39%	0.393	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-82.6	-12.7	178.1	-65.4	-174.9	-15	0	0	113	P309 M310 N314 G317	P309-Q312 WeakPolarHBondContact O-CB 3.46Å; P309-Q312 PolarHBondContact O-N 3.24Å; M310-Q312 VanDerWaalsContact C-N 3.28Å; M310-Q312 PolarHBondContact O-N 2.95Å; Q312-N314 PolarHBondContact O-N 2.97Å; Q312-G317 WeakPolarHBondContact O-CA 3.41Å
313	L	94.8	Very high	95.2	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.22	C	C	.	.			trans	-79.9	61.2	179.1	-80.9	-67.9	0	0	0	110.8	V245 L308 P309 M310 Q311 L318 R350	V245-L313 HydrophobicContact CB-CD1 4.38Å; V245-L313 HydrophobicContact CG1-CD1 3.79Å; V245-L313 HydrophobicContact CG1-CD2 4.3Å; L308-L313 HydrophobicContact CB-CD2 3.79Å; P309-L313 WeakPolarHBondContact O-CD2 3.49Å; M310-L313 PolarHBondContact O-N 2.86Å; Q311-L313 VanDerWaalsContact C-N 3.35Å; L313-L318 HydrophobicContact CD1-CD1 4.31Å; L313-L318 HydrophobicContact CD1-CD2 4.29Å; L313-R350 HydrophobicContact CB-CG 3.66Å; L313-R350 HydrophobicContact CG-CG 4.3Å; L313-R350 WeakPolarHBondContact O-CD 3.32Å; L313-R350 PolarHBondContact O-NH1 2.91Å
314	N	95.8	Very high	95	Very high	54 Å²	54	50.3 Å²	50.3	29%	0.289	26%	0.255	S	S	.	.	S	Bend	trans	-138.1	168.1	167.9	64.7	61.1	0	0	0	108.5	Q311 Q312 A316 G317 L318	Q311-N314 PolarHBondContact O-ND2 2.86Å; Q312-N314 PolarHBondContact O-N 2.97Å; N314-A316 VanDerWaalsContact C-N 3.3Å; N314-A316 PolarHBondContact O-N 3.44Å; N314-A316 WeakPolarHBondContact OD1-CB 3.44Å; N314-A316 PolarHBondContact OD1-N 3.26Å; N314-G317 PolarHBondContact O-N 3.18Å; N314-G317 PolarHBondContact OD1-N 3.18Å; N314-L318 PolarHBondContact O-N 2.86Å
315	V	95.4	Very high	94.5	Very high	26 Å²	26	48.8 Å²	48.8	16%	0.158	25%	0.249	C	C	.	.	H	α-helix	trans	-56.1	-42.7	-176.2	165.9	0	0	0	0	112.6	V319 Q377 K379 I384	V315-V319 HydrophobicContact CG1-CG2 4.35Å; V315-V319 WeakPolarHBondContact O-CB 3.19Å; V315-V319 WeakPolarHBondContact O-CG2 3.48Å; V315-V319 PolarHBondContact O-N 3.42Å; V315-Q377 HydrophobicContact CG2-CB 3.81Å; V315-K379 HydrophobicContact CG1-CB 3.68Å; V315-K379 HydrophobicContact CG1-CD 3.33Å; V315-K379 HydrophobicContact CG1-CG 4.12Å; V315-K379 HydrophobicContact CG2-CB 4.14Å; V315-I384 HydrophobicContact CG2-CD1 4.29Å
316	A	96.3	Very high	93.6	Very high	73 Å²	73	49.9 Å²	49.9	60%	0.603	26%	0.26	S	S	*	.	H	α-helix	trans	-65.5	-46.6	-179.4	0	0	0	0	0	111.8	N314 V319 Q320	N314-A316 VanDerWaalsContact C-N 3.3Å; N314-A316 PolarHBondContact O-N 3.44Å; N314-A316 WeakPolarHBondContact OD1-CB 3.44Å; N314-A316 PolarHBondContact OD1-N 3.26Å; A316-V319 PolarHBondContact O-N 2.95Å; A316-Q320 PolarHBondContact O-N 3Å
317	G	97.3	Very high	92.4	Very high	13 Å²	13	54.3 Å²	54.3	13%	0.134	28%	0.284	C	S	.	.	H	α-helix	trans	-62.2	-43.2	178.1	0	0	0	0	0	112.6	Q312 N314 Q320 Y321	Q312-G317 WeakPolarHBondContact O-CA 3.41Å; N314-G317 PolarHBondContact O-N 3.18Å; N314-G317 PolarHBondContact OD1-N 3.18Å; G317-Q320 PolarHBondContact O-N 2.81Å; G317-Y321 WeakPolarHBondContact O-CB 3.24Å; G317-Y321 PolarHBondContact O-N 3.08Å
318	L	96.7	Very high	90.8	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-73.6	-31.9	178.9	-67.9	-172.6	0	0	0	113.3	V245 L308 L313 N314 Q320 Y321 Q322 I346 I382 I384	V245-L318 HydrophobicContact CG1-CD2 4.24Å; L308-L318 HydrophobicContact CD1-CD2 4.17Å; L313-L318 HydrophobicContact CD1-CD1 4.31Å; L313-L318 HydrophobicContact CD1-CD2 4.29Å; N314-L318 PolarHBondContact O-N 2.86Å; L318-Q320 VanDerWaalsContact C-N 3.35Å; L318-Y321 PolarHBondContact O-N 3.47Å; L318-Q322 VanDerWaalsContact O-CB 3.24Å; L318-Q322 WeakPolarHBondContact O-CB 3.25Å; L318-Q322 PolarHBondContact O-N 2.87Å; L318-I346 HydrophobicContact CD1-CG2 4Å; L318-I346 HydrophobicContact CD2-CG2 4.43Å; L318-I382 HydrophobicContact CB-CD1 4.25Å; L318-I382 HydrophobicContact CB-CG2 3.88Å; L318-I382 HydrophobicContact CD1-CG2 3.75Å; L318-I382 HydrophobicContact CG-CG2 4.49Å; L318-I384 HydrophobicContact CD1-CD1 3.63Å; L318-I384 HydrophobicContact CD1-CG1 3.66Å; L318-I384 HydrophobicContact CG-CD1 4.36Å
319	V	94.7	Very high	89.2	Confident	35 Å²	35	60.5 Å²	60.5	21%	0.212	31%	0.311	C	S	.	.	H	α-helix	trans	-63.1	-44.2	170.3	167.1	0	0	0	0	110.4	V315 A316 Y321 Q322 K323 I382	V315-V319 HydrophobicContact CG1-CG2 4.35Å; V315-V319 WeakPolarHBondContact O-CB 3.19Å; V315-V319 WeakPolarHBondContact O-CG2 3.48Å; V315-V319 PolarHBondContact O-N 3.42Å; A316-V319 PolarHBondContact O-N 2.95Å; V319-Y321 VanDerWaalsContact C-N 3.32Å; V319-Y321 PolarHBondContact O-N 3.41Å; V319-Q322 PolarHBondContact O-N 2.88Å; V319-K323 HydrophobicContact CG1-CD 4.48Å; V319-K323 WeakPolarHBondContact O-CG 3.34Å; V319-K323 PolarHBondContact O-N 3.31Å; V319-K323 VanDerWaalsContact O-N 3.09Å; V319-I382 HydrophobicContact CB-CD1 4.36Å; V319-I382 HydrophobicContact CG2-CD1 3.56Å
320	Q	94.8	Very high	87.5	Confident	147 Å²	147	62.9 Å²	62.9	69%	0.687	33%	0.326	S	S	*	.	H	α-helix	trans	-62.2	-42.3	175.9	-174.5	-178.8	8.4	0	0	111.2	A316 G317 L318 K323 K324	A316-Q320 PolarHBondContact O-N 3Å; G317-Q320 PolarHBondContact O-N 2.81Å; L318-Q320 VanDerWaalsContact C-N 3.35Å; Q320-K323 PolarHBondContact O-N 3.05Å; Q320-K324 PolarHBondContact O-N 3.41Å
321	Y	94.7	Very high	85.8	Confident	20 Å²	20	68.5 Å²	68.5	8%	0.078	36%	0.355	C	S	.	.	H	α-helix	trans	-67	-41.6	178.9	-167.1	-113.3	0	0	0	112.8	L243 H306 L308 G317 L318 V319 K323 K324 L325	L243-Y321 HydrophobicContact CD2-CD1 4.4Å; L243-Y321 HydrophobicContact CD2-CE1 3.92Å; H306-Y321 AromaticContact ND1-CE1 3.66Å; H306-Y321 AromaticContact ND1-CZ 3.63Å; H306-Y321 PolarHBondContact ND1-OH 2.84Å; L308-Y321 HydrophobicContact CD1-CD1 3.72Å; L308-Y321 HydrophobicContact CD1-CD2 4.01Å; L308-Y321 HydrophobicContact CD1-CE1 3.83Å; L308-Y321 HydrophobicContact CD1-CE2 4.15Å; L308-Y321 HydrophobicContact CD1-CG 3.8Å; L308-Y321 HydrophobicContact CD2-CD2 4.23Å; L308-Y321 HydrophobicContact CD2-CE1 4.33Å; L308-Y321 HydrophobicContact CD2-CE2 3.71Å; L308-Y321 HydrophobicContact CG-CE1 4.41Å; G317-Y321 WeakPolarHBondContact O-CB 3.24Å; G317-Y321 PolarHBondContact O-N 3.08Å; L318-Y321 PolarHBondContact O-N 3.47Å; V319-Y321 VanDerWaalsContact C-N 3.32Å; V319-Y321 PolarHBondContact O-N 3.41Å; Y321-K323 VanDerWaalsContact C-N 3.34Å; Y321-K323 PolarHBondContact O-N 3.16Å; Y321-K324 WeakPolarHBondContact O-CB 3.39Å; Y321-K324 PolarHBondContact O-N 2.83Å; Y321-K324 VanDerWaalsContact O-N 3.16Å; Y321-L325 HydrophobicContact CD1-CD1 3.83Å; Y321-L325 HydrophobicContact CD1-CG 4.42Å; Y321-L325 HydrophobicContact CE1-CD1 3.53Å; Y321-L325 HydrophobicContact CE1-CG 4.15Å; Y321-L325 WeakPolarHBondContact O-CG 3.43Å; Y321-L325 PolarHBondContact O-N 3.15Å
322	Q	91.3	Very high	84	Confident	19 Å²	19	64.7 Å²	64.7	9%	0.089	34%	0.34	C	S	.	.	H	α-helix	trans	-58.2	-46.1	174.9	-168.8	-176.1	42	0	0	111.3	L318 V319 K324 L325 G326 L343 R344 I346	L318-Q322 VanDerWaalsContact O-CB 3.24Å; L318-Q322 WeakPolarHBondContact O-CB 3.25Å; L318-Q322 PolarHBondContact O-N 2.87Å; V319-Q322 PolarHBondContact O-N 2.88Å; Q322-K324 VanDerWaalsContact C-N 3.32Å; Q322-K324 PolarHBondContact O-N 2.98Å; Q322-L325 PolarHBondContact O-N 3.11Å; Q322-G326 PolarHBondContact O-N 3.43Å; Q322-G326 VanDerWaalsContact O-N 3.12Å; Q322-L343 HydrophobicContact CG-CB 3.95Å; Q322-L343 HydrophobicContact CG-CD1 4.33Å; Q322-R344 PolarHBondContact NE2-O 3.18Å; Q322-I346 HydrophobicContact CB-CD1 3.67Å; Q322-I346 HydrophobicContact CG-CD1 4.06Å; Q322-I346 HydrophobicContact CG-CG1 4.49Å
323	K	89.5	Confident	82.1	Confident	149 Å²	149	65.6 Å²	65.6	65%	0.648	35%	0.353	S	S	*	.	H	α-helix	trans	-61.4	-39.7	175.5	-71.7	178.1	-179.5	-173.2	0	112.2	V319 Q320 Y321 L325 G326	V319-K323 HydrophobicContact CG1-CD 4.48Å; V319-K323 WeakPolarHBondContact O-CG 3.34Å; V319-K323 PolarHBondContact O-N 3.31Å; V319-K323 VanDerWaalsContact O-N 3.09Å; Q320-K323 PolarHBondContact O-N 3.05Å; Y321-K323 VanDerWaalsContact C-N 3.34Å; Y321-K323 PolarHBondContact O-N 3.16Å; K323-L325 VanDerWaalsContact C-N 3.34Å; K323-L325 PolarHBondContact O-N 2.88Å; K323-G326 PolarHBondContact O-N 3.33Å
324	K	90.1	Very high	80.3	Confident	171 Å²	171	74.1 Å²	74.1	74%	0.743	39%	0.39	S	S	*	.	H	α-helix	trans	-63.4	-38.2	177.4	-176.8	-175	175.8	-177.2	0	112.3	Q320 Y321 Q322	Q320-K324 PolarHBondContact O-N 3.41Å; Y321-K324 WeakPolarHBondContact O-CB 3.39Å; Y321-K324 PolarHBondContact O-N 2.83Å; Y321-K324 VanDerWaalsContact O-N 3.16Å; Q322-K324 VanDerWaalsContact C-N 3.32Å; Q322-K324 PolarHBondContact O-N 2.98Å
325	L	85.8	Confident	78.3	Confident	36 Å²	36	78.7 Å²	78.7	19%	0.188	41%	0.41	C	S	.	.	H	α-helix	trans	-75.1	-27.3	179.5	-69.9	173.5	0	0	0	113	L243 Y321 Q322 K323	L243-L325 HydrophobicContact CD2-CD1 3.3Å; Y321-L325 HydrophobicContact CD1-CD1 3.83Å; Y321-L325 HydrophobicContact CD1-CG 4.42Å; Y321-L325 HydrophobicContact CE1-CD1 3.53Å; Y321-L325 HydrophobicContact CE1-CG 4.15Å; Y321-L325 WeakPolarHBondContact O-CG 3.43Å; Y321-L325 PolarHBondContact O-N 3.15Å; Q322-L325 PolarHBondContact O-N 3.11Å; K323-L325 VanDerWaalsContact C-N 3.34Å; K323-L325 PolarHBondContact O-N 2.88Å
326	G	78.9	Confident	76.2	Confident	22 Å²	22	84.1 Å²	84.1	23%	0.227	44%	0.438	C	S	.	.			trans	77.8	-144.1	-178	0	0	0	0	0	113	Q322 K323	Q322-G326 PolarHBondContact O-N 3.43Å; Q322-G326 VanDerWaalsContact O-N 3.12Å; K323-G326 PolarHBondContact O-N 3.33Å
327	N	71.7	Confident	74.1	Confident	94 Å²	94	83.9 Å²	83.9	50%	0.503	43%	0.432	S	S	.	.	B	Isolated β-bridge	trans	-77.7	164.3	-167.9	-56.5	-24.9	0	0	0	112.3	P341	N327-P341 HydrophobicContact CB-CB 4.03Å; N327-P341 WeakPolarHBondContact ND2-CB 3.48Å; N327-P341 WeakPolarHBondContact OD1-CB 3.26Å
328	R	66.6	Low	71.9	Confident	66 Å²	66	89.3 Å²	89.3	25%	0.249	47%	0.465	C	S	.	.	P	Polyproline II helix	trans	-54.2	142.3	174.5	-78.2	168.6	-179.9	-118.5	-2.6	111.5	D239 T241 K342 L343 R344 S345	D239-R328 VanDerWaalsContact CG-NH1 3.27Å; D239-R328 IonicContact OD1-CZ 3.05Å; D239-R328 IonicContact OD1-NH1 3.1Å; D239-R328 PolarHBondContact OD1-NH1 3.39Å; D239-R328 IonicContact OD2-CZ 3.94Å; D239-R328 IonicContact OD2-NH1 2.99Å; D239-R328 PolarHBondContact OD2-NH1 3.21Å; D239-R328 IonicContact OD2-NH2 2.56Å; D239-R328 PolarHBondContact OD2-NH2 3.14Å; T241-R328 PolarHBondContact OG1-NH1 3.34Å; R328-K342 WeakPolarHBondContact CG-O 3.25Å; R328-K342 PolarHBondContact N-O 3.27Å; R328-L343 PolarHBondContact NE-O 3.21Å; R328-R344 HydrophobicContact CG-CB 4.13Å; R328-R344 HydrophobicContact CG-CG 4.44Å; R328-S345 PolarHBondContact NH2-OG 3.09Å
329	L	64.1	Low	69.8	Low	69 Å²	69	94.3 Å²	94.3	36%	0.361	50%	0.495	S	S	.	.	P	Polyproline II helix	trans	-65.2	138.1	164.5	-64.5	172.8	0	0	0	108.1	H301 I331	H301-L329 WeakPolarHBondContact O-CD1 3.42Å; L329-I331 PolarHBondContact O-N 2.91Å
330	P	58.9	Low	67.6	Low	88 Å²	88	101.9 Å²	101.9	57%	0.571	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-55.8	129.8	173.4	-19.5	29.7	0	0	0	109.6
331	I	57.8	Low	65.7	Low	131 Å²	131	99.2 Å²	99.2	67%	0.672	52%	0.521	S	S	*	.	S	Bend	trans	-65.7	-35.6	170.4	-60.6	167.3	0	0	0	109.2	T241 L329	T241-I331 HydrophobicContact CG2-CB 4.43Å; T241-I331 HydrophobicContact CG2-CD1 3.74Å; T241-I331 HydrophobicContact CG2-CG1 3.12Å; L329-I331 PolarHBondContact O-N 2.91Å
332	D	54	Low	64.5	Low	62 Å²	62	103.5 Å²	103.5	33%	0.332	54%	0.54	S	S	.	.	S	Bend	trans	-135.8	123.1	-173.9	-179.1	-4.2	0	0	0	108.1	F334 H335	D332-F334 PolarHBondContact O-N 2.79Å; D332-F334 VanDerWaalsContact O-N 3.12Å; D332-F334 WeakPolarHBondContact OD1-CB 3.46Å; D332-F334 WeakPolarHBondContact OD1-CD2 3.48Å; D332-F334 PolarHBondContact OD1-N 2.99Å; D332-H335 HydrophobicContact CB-CB 4.29Å; D332-H335 PolarHBondContact O-N 2.58Å
333	P	54.9	Low	63.8	Low	103 Å²	103	105.6 Å²	105.6	67%	0.669	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.5	-16.5	173.8	24.9	-33.7	0	0	0	113.5
334	F	58.2	Low	63.5	Low	179 Å²	179	99.2 Å²	99.2	79%	0.785	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-10.5	179.3	-56.2	-68.6	0	0	0	114.1	D332	D332-F334 PolarHBondContact O-N 2.79Å; D332-F334 VanDerWaalsContact O-N 3.12Å; D332-F334 WeakPolarHBondContact OD1-CB 3.46Å; D332-F334 WeakPolarHBondContact OD1-CD2 3.48Å; D332-F334 PolarHBondContact OD1-N 2.99Å
335	H	51.8	Low	63.6	Low	150 Å²	150	91.4 Å²	91.4	69%	0.694	49%	0.49	S	S	*	.			trans	-112.3	76.9	179.7	-111.8	24.4	0	0	0	111.8	D332 S337	D332-H335 HydrophobicContact CB-CB 4.29Å; D332-H335 PolarHBondContact O-N 2.58Å; H335-S337 PolarHBondContact O-N 2.96Å
336	N	52.6	Low	64.1	Low	139 Å²	139	89.8 Å²	89.8	74%	0.743	48%	0.482	S	S	*	.			trans	-72.2	68.8	159.8	-76.3	-25.6	0	0	0	109.3	P338	N336-P338 WeakPolarHBondContact O-CD 3.44Å
337	S	52.7	Low	65.1	Low	69 Å²	69	88.7 Å²	88.7	48%	0.483	47%	0.471	S	S	.	.			trans	-68.4	117.9	169.4	-171.1	0	0	0	0	108	H335 T339	H335-S337 PolarHBondContact O-N 2.96Å; S337-T339 PolarHBondContact O-N 2.99Å; S337-T339 VanDerWaalsContact O-N 3.13Å; S337-T339 PolarHBondContact OG-OG1 2.72Å
338	P	49.4	Very low	66.3	Low	127 Å²	127	84.2 Å²	84.2	83%	0.825	45%	0.447	S	S	*	.			trans	-75.6	4.9	178.8	-3	20.4	0	0	0	112.3	N336 F340	N336-P338 WeakPolarHBondContact O-CD 3.44Å; P338-F340 PolarHBondContact O-N 2.96Å; P338-F340 VanDerWaalsContact O-N 3.11Å
339	T	52.4	Low	67.8	Low	105 Å²	105	81.1 Å²	81.1	64%	0.644	44%	0.435	S	S	*	.	S	Bend	trans	-60.7	118.6	178.1	50.7	0	0	0	0	108.2	S337	S337-T339 PolarHBondContact O-N 2.99Å; S337-T339 VanDerWaalsContact O-N 3.13Å; S337-T339 PolarHBondContact OG-OG1 2.72Å
340	F	49.1	Very low	69.4	Low	194 Å²	194	80.5 Å²	80.5	85%	0.851	43%	0.428	S	S	*	.			trans	-8.3	119.8	-173.6	-78.7	-94.1	0	0	0	114.5	P338 K342	P338-F340 PolarHBondContact O-N 2.96Å; P338-F340 VanDerWaalsContact O-N 3.11Å; F340-K342 VanDerWaalsContact C-N 3.34Å; F340-K342 PolarHBondContact O-N 3.19Å
341	P	55.3	Low	71.2	Confident	90 Å²	90	76.3 Å²	76.3	58%	0.584	40%	0.401	S	S	*	.			trans	-53	98.7	-176.8	17.5	-28.7	0	0	0	110.8	N327 L343	N327-P341 HydrophobicContact CB-CB 4.03Å; N327-P341 WeakPolarHBondContact ND2-CB 3.48Å; N327-P341 WeakPolarHBondContact OD1-CB 3.26Å; P341-L343 PolarHBondContact O-N 2.95Å
342	K	69.1	Low	72.8	Confident	111 Å²	111	70.5 Å²	70.5	48%	0.483	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-76.7	127.9	-178.8	-169.8	175.5	179.9	-172.5	0	106.6	R328 F340 D381	R328-K342 WeakPolarHBondContact CG-O 3.25Å; R328-K342 PolarHBondContact N-O 3.27Å; F340-K342 VanDerWaalsContact C-N 3.34Å; F340-K342 PolarHBondContact O-N 3.19Å; K342-D381 WeakPolarHBondContact CE-OD2 3.36Å; K342-D381 IonicContact NZ-OD1 2.73Å; K342-D381 IonicContact NZ-OD2 2.89Å; K342-D381 PolarHBondContact NZ-OD2 3.28Å
343	L	76.9	Confident	74.2	Confident	62 Å²	62	67.5 Å²	67.5	33%	0.325	36%	0.355	S	S	.	.	B	Isolated β-bridge	trans	-56.8	144.9	173.4	-70.4	174.2	0	0	0	110	Q322 R328 P341 S345	Q322-L343 HydrophobicContact CG-CB 3.95Å; Q322-L343 HydrophobicContact CG-CD1 4.33Å; R328-L343 PolarHBondContact NE-O 3.21Å; P341-L343 PolarHBondContact O-N 2.95Å; L343-S345 PolarHBondContact O-N 2.87Å
344	R	84	Confident	75.5	Confident	16 Å²	16	68.7 Å²	68.7	6%	0.06	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-63.8	125.2	179.2	-169.3	174.2	-178.2	-169.5	-5.4	109.9	T241 I242 L243 Q322 R328	T241-R344 VanDerWaalsContact O-CG 3.31Å; T241-R344 WeakPolarHBondContact O-CG 2.93Å; T241-R344 PolarHBondContact O-NE 2.8Å; I242-R344 PolarHBondContact O-NH2 2.71Å; L243-R344 HydrophobicContact CB-CG 4.22Å; Q322-R344 PolarHBondContact NE2-O 3.18Å; R328-R344 HydrophobicContact CG-CB 4.13Å; R328-R344 HydrophobicContact CG-CG 4.44Å
345	S	92.3	Very high	76.5	Confident	7 Å²	7	60.3 Å²	60.3	5%	0.049	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-61.4	149.8	175.1	-63	0	0	0	0	110.3	D239 I242 L243 R328 L343 D381	D239-S345 PolarHBondContact OD2-OG 3.05Å; I242-S345 WeakPolarHBondContact CG1-O 3.15Å; L243-S345 PolarHBondContact N-O 3.36Å; R328-S345 PolarHBondContact NH2-OG 3.09Å; L343-S345 PolarHBondContact O-N 2.87Å; S345-D381 WeakPolarHBondContact OG-CB 3.27Å
346	I	96.3	Very high	77.6	Confident	1 Å²	1	54.7 Å²	54.7	1%	0.005	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	127.5	-178.8	-57.8	-174.5	0	0	0	110.5	L243 V245 L318 Q322 D381 I382 H383	L243-I346 HydrophobicContact CB-CG1 4.38Å; L243-I346 HydrophobicContact CD2-CD1 4.48Å; L243-I346 HydrophobicContact CD2-CG1 4.49Å; L243-I346 WeakPolarHBondContact O-CA 3.35Å; V245-I346 HydrophobicContact CB-CG2 4.33Å; V245-I346 HydrophobicContact CG2-CG2 3.67Å; L318-I346 HydrophobicContact CD1-CG2 4Å; L318-I346 HydrophobicContact CD2-CG2 4.43Å; Q322-I346 HydrophobicContact CB-CD1 3.67Å; Q322-I346 HydrophobicContact CG-CD1 4.06Å; Q322-I346 HydrophobicContact CG-CG1 4.49Å; I346-D381 PolarHBondContact N-O 3.01Å; I346-I382 HydrophobicContact CB-CG1 4.27Å; I346-I382 HydrophobicContact CB-CG2 4.45Å; I346-I382 WeakPolarHBondContact O-CA 2.97Å; I346-H383 PolarHBondContact O-N 2.61Å
347	L	98.1	Very high	78.3	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	106.5	165.4	174.9	63.4	0	0	0	108.9	T232 Y235 I242 L243 V244 V245 H383 Y385	T232-L347 HydrophobicContact CG2-CD2 4.09Å; Y235-L347 HydrophobicContact CD2-CD1 4.26Å; Y235-L347 HydrophobicContact CD2-CD2 4.09Å; Y235-L347 HydrophobicContact CE2-CD1 4.21Å; Y235-L347 HydrophobicContact CG-CD2 4.13Å; I242-L347 HydrophobicContact CD1-CB 3.73Å; I242-L347 HydrophobicContact CG1-CB 4.33Å; L243-L347 PolarHBondContact O-N 3.46Å; V244-L347 CarbonylContact C-O 3.55Å; V244-L347 WeakPolarHBondContact CA-O 3.38Å; V245-L347 PolarHBondContact N-O 3.48Å; L347-H383 CarbonylContact C-O 3.45Å; L347-H383 WeakPolarHBondContact CA-O 3.25Å; L347-H383 HydrophobicContact CD1-CB 4.39Å; L347-Y385 HydrophobicContact CD1-CD2 3.42Å; L347-Y385 VanDerWaalsContact CD1-CD2 3.42Å; L347-Y385 HydrophobicContact CD1-CE2 3.58Å
348	G	98.4	Very high	78.5	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	137.5	177.4	0	0	0	0	0	112.4	V245 H383 I384 Y385	V245-G348 CarbonylContact O-C 3.6Å; V245-G348 WeakPolarHBondContact O-CA 3.23Å; G348-H383 PolarHBondContact N-O 3.09Å; G348-I384 CarbonylContact O-C 3.42Å; G348-I384 WeakPolarHBondContact O-CA 3.38Å; G348-Y385 PolarHBondContact O-N 2.91Å
349	W	98.4	Very high	78.6	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	127.2	172.9	-73.7	108.2	0	0	0	110.6	A228 V231 T232 V245 G247 F256 L260 P351 I373 Y385 A387	A228-W349 HydrophobicContact CB-CD2 4.29Å; A228-W349 HydrophobicContact CB-CE3 4.17Å; A228-W349 HydrophobicContact CB-CH2 3.73Å; A228-W349 HydrophobicContact CB-CZ2 3.83Å; A228-W349 HydrophobicContact CB-CZ3 3.88Å; A228-W349 VanDerWaalsContact O-CZ2 3.31Å; A228-W349 WeakPolarHBondContact O-CZ2 3.17Å; V231-W349 HydrophobicContact CB-CH2 3.74Å; V231-W349 HydrophobicContact CB-CZ2 3.73Å; V231-W349 HydrophobicContact CG1-CH2 3.8Å; V231-W349 HydrophobicContact CG1-CZ2 3.69Å; V231-W349 HydrophobicContact CG2-CH2 4.19Å; T232-W349 WeakPolarHBondContact OG1-CZ2 3.43Å; T232-W349 PolarHBondContact OG1-NE1 3.41Å; V245-W349 PolarHBondContact O-N 3.06Å; G247-W349 PolarHBondContact N-O 2.78Å; F256-W349 HydrophobicContact CE1-CB 3.74Å; F256-W349 HydrophobicContact CE1-CD2 4.39Å; F256-W349 AromaticContact CE1-CG 3.95Å; F256-W349 HydrophobicContact CE1-CG 3.95Å; F256-W349 HydrophobicContact CZ-CB 4.16Å; F256-W349 HydrophobicContact CZ-CD2 4.05Å; F256-W349 HydrophobicContact CZ-CE3 4.04Å; F256-W349 HydrophobicContact CZ-CG 4.11Å; L260-W349 HydrophobicContact CD1-CG 4.37Å; W349-P351 VanDerWaalsContact C-CD 3.44Å; W349-P351 WeakPolarHBondContact O-CD 3.25Å; W349-I373 HydrophobicContact CH2-CD1 4.06Å; W349-I373 HydrophobicContact CH2-CG2 3.9Å; W349-I373 HydrophobicContact CZ3-CD1 4.03Å; W349-I373 HydrophobicContact CZ3-CG1 4.26Å; W349-I373 HydrophobicContact CZ3-CG2 3.67Å; W349-Y385 HydrophobicContact CH2-CD1 4.48Å; W349-Y385 HydrophobicContact CH2-CG 4.1Å; W349-Y385 HydrophobicContact CZ3-CG 4.1Å; W349-A387 HydrophobicContact CE3-CB 3.92Å; W349-A387 HydrophobicContact CZ3-CB 4.09Å
350	R	97.4	Very high	78.3	Confident	57 Å²	57	59 Å²	59	22%	0.215	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	86.8	168.2	-68.3	172.4	66.1	82.2	9.5	108.6	M310 L313 T352 E376 I384 Y385 A387	M310-R350 PolarHBondContact O-NH1 3.09Å; M310-R350 HydrophobicContact SD-CB 4.22Å; M310-R350 HydrophobicContact SD-CG 4.22Å; L313-R350 HydrophobicContact CB-CG 3.66Å; L313-R350 HydrophobicContact CG-CG 4.3Å; L313-R350 WeakPolarHBondContact O-CD 3.32Å; L313-R350 PolarHBondContact O-NH1 2.91Å; R350-T352 PolarHBondContact O-N 2.82Å; R350-T352 VanDerWaalsContact O-N 3.1Å; R350-E376 VanDerWaalsContact CD-OE2 3.26Å; R350-E376 WeakPolarHBondContact CD-OE2 3.49Å; R350-E376 IonicContact NE-OE2 2.98Å; R350-E376 PolarHBondContact NE-OE2 2.84Å; R350-I384 HydrophobicContact CG-CG2 3.94Å; R350-Y385 PolarHBondContact N-O 2.8Å; R350-A387 PolarHBondContact O-N 3.35Å
351	P	96.1	Very high	78.1	Confident	0 Å²	0	57 Å²	57	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	97.2	176.4	30.4	-35.5	0	0	0	110.2	G247 K253 F256 M310 W349 A387 Y389	G247-P351 WeakPolarHBondContact O-CD 3.49Å; G247-P351 WeakPolarHBondContact O-CG 3.35Å; K253-P351 HydrophobicContact CB-CG 4.27Å; K253-P351 HydrophobicContact CD-CB 3.94Å; K253-P351 HydrophobicContact CD-CG 3.82Å; K253-P351 VanDerWaalsContact CD-O 3.31Å; K253-P351 WeakPolarHBondContact CD-O 3.19Å; K253-P351 WeakPolarHBondContact CE-O 3.39Å; K253-P351 HydrophobicContact CG-CG 4.12Å; K253-P351 PolarHBondContact NZ-O 2.92Å; F256-P351 HydrophobicContact CB-CB 4.32Å; F256-P351 HydrophobicContact CD1-CB 3.85Å; F256-P351 HydrophobicContact CD1-CG 3.89Å; F256-P351 HydrophobicContact CD2-CB 3.88Å; F256-P351 HydrophobicContact CE1-CB 4.09Å; F256-P351 HydrophobicContact CE1-CG 4.24Å; F256-P351 HydrophobicContact CE2-CB 4.12Å; F256-P351 HydrophobicContact CG-CB 3.74Å; F256-P351 HydrophobicContact CG-CG 4.18Å; F256-P351 HydrophobicContact CZ-CB 4.22Å; M310-P351 HydrophobicContact CE-CG 4.33Å; W349-P351 VanDerWaalsContact C-CD 3.44Å; W349-P351 WeakPolarHBondContact O-CD 3.25Å; P351-A387 WeakPolarHBondContact CA-O 3.36Å; P351-Y389 CarbonylContact C-O 3.48Å; P351-Y389 HydrophobicContact CB-CD1 4.11Å; P351-Y389 HydrophobicContact CB-CG 4.26Å
352	T	90.4	Very high	77.7	Confident	8 Å²	8	56.7 Å²	56.7	5%	0.049	28%	0.284	C	S	.	.			trans	-149.8	139.2	178.5	-175.8	0	0	0	0	111.7	R350 W354 S355 A387 P388 Y389	R350-T352 PolarHBondContact O-N 2.82Å; R350-T352 VanDerWaalsContact O-N 3.1Å; T352-W354 HydrophobicContact CG2-CB 4.29Å; T352-W354 PolarHBondContact O-N 3.16Å; T352-W354 VanDerWaalsContact O-N 3.14Å; T352-S355 VanDerWaalsContact CG2-OG 3.3Å; T352-S355 WeakPolarHBondContact CG2-OG 3.4Å; T352-S355 WeakPolarHBondContact O-CB 3.37Å; T352-S355 PolarHBondContact O-N 3.04Å; T352-A387 PolarHBondContact N-O 2.98Å; T352-P388 WeakPolarHBondContact O-CA 3.24Å; T352-Y389 CarbonylContact C-O 3.52Å; T352-Y389 WeakPolarHBondContact CA-O 3.37Å; T352-Y389 PolarHBondContact N-O 3.32Å
353	G	84.6	Confident	76.7	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-58.2	-26.2	176	0	0	0	0	0	112.8	Y211 S355 H356 Y389	Y211-G353 WeakPolarHBondContact OH-CA 3.47Å; Y211-G353 PolarHBondContact OH-N 3.45Å; G353-S355 PolarHBondContact O-N 3.19Å; G353-H356 WeakPolarHBondContact O-CB 3.37Å; G353-H356 PolarHBondContact O-N 3.44Å; G353-Y389 PolarHBondContact N-O 3.13Å
354	W	82.4	Confident	75.2	Confident	128 Å²	128	62 Å²	62	49%	0.485	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-67.3	-17.1	176.2	-53.6	117.2	0	0	0	114.7	T210 Y211 Y216 T352 H356	T210-W354 HydrophobicContact CG2-CH2 4.42Å; T210-W354 HydrophobicContact CG2-CZ2 4.02Å; Y211-W354 HydrophobicContact CD1-CE3 4.28Å; Y211-W354 HydrophobicContact CD1-CH2 4.01Å; Y211-W354 HydrophobicContact CD1-CZ2 4.4Å; Y211-W354 AromaticContact CD1-CZ3 3.96Å; Y211-W354 HydrophobicContact CD1-CZ3 3.96Å; Y211-W354 AromaticContact CE1-CD2 3.61Å; Y211-W354 HydrophobicContact CE1-CD2 3.61Å; Y211-W354 AromaticContact CE1-CE2 3.66Å; Y211-W354 AromaticContact CE1-CE3 3.61Å; Y211-W354 HydrophobicContact CE1-CE3 3.61Å; Y211-W354 HydrophobicContact CE1-CG 4.31Å; Y211-W354 AromaticContact CE1-CH2 3.71Å; Y211-W354 HydrophobicContact CE1-CH2 3.71Å; Y211-W354 AromaticContact CE1-CZ2 3.72Å; Y211-W354 HydrophobicContact CE1-CZ2 3.72Å; Y211-W354 AromaticContact CE1-CZ3 3.66Å; Y211-W354 HydrophobicContact CE1-CZ3 3.66Å; Y211-W354 AromaticContact CZ-CE2 3.82Å; Y211-W354 AromaticContact CZ-CZ2 3.97Å; Y211-W354 PolarHBondContact OH-NE1 3.45Å; Y216-W354 HydrophobicContact CD1-CE3 4.37Å; Y216-W354 HydrophobicContact CD1-CZ3 4.45Å; Y216-W354 HydrophobicContact CD2-CZ3 4.41Å; Y216-W354 AromaticContact CE1-CE3 3.66Å; Y216-W354 HydrophobicContact CE1-CE3 3.66Å; Y216-W354 AromaticContact CE1-CZ3 3.8Å; Y216-W354 HydrophobicContact CE1-CZ3 3.8Å; Y216-W354 HydrophobicContact CE2-CE3 4.46Å; Y216-W354 AromaticContact CE2-CZ3 3.75Å; Y216-W354 HydrophobicContact CE2-CZ3 3.75Å; Y216-W354 AromaticContact CZ-CE3 3.72Å; Y216-W354 AromaticContact CZ-CZ3 3.4Å; Y216-W354 WeakPolarHBondContact OH-CZ3 3.32Å; T352-W354 HydrophobicContact CG2-CB 4.29Å; T352-W354 PolarHBondContact O-N 3.16Å; T352-W354 VanDerWaalsContact O-N 3.14Å; W354-H356 PolarHBondContact O-N 3.07Å
355	S	79.1	Confident	73.6	Confident	3 Å²	3	64.1 Å²	64.1	2%	0.021	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-73.6	-12	172.4	-67.5	0	0	0	0	111.9	T352 G353 R357 E376 G386	T352-S355 VanDerWaalsContact CG2-OG 3.3Å; T352-S355 WeakPolarHBondContact CG2-OG 3.4Å; T352-S355 WeakPolarHBondContact O-CB 3.37Å; T352-S355 PolarHBondContact O-N 3.04Å; G353-S355 PolarHBondContact O-N 3.19Å; S355-R357 PolarHBondContact O-N 3.45Å; S355-E376 WeakPolarHBondContact CB-OE1 3.31Å; S355-E376 PolarHBondContact OG-OE1 3.24Å; S355-G386 VanDerWaalsContact OG-CA 3.31Å; S355-G386 WeakPolarHBondContact OG-CA 3.36Å
356	H	75.4	Confident	71.8	Confident	31 Å²	31	72.1 Å²	72.1	14%	0.144	38%	0.38	C	S	.	.			trans	-66.1	115.8	171.7	-170.8	78	0	0	0	109.6	Q215 D217 F218 G353 W354 P388	Q215-H356 PolarHBondContact O-CD2 3.25Å; D217-H356 PolarHBondContact O-CE1 2.79Å; F218-H356 HydrophobicContact CB-CB 4.07Å; F218-H356 HydrophobicContact CD1-CB 4.31Å; G353-H356 WeakPolarHBondContact O-CB 3.37Å; G353-H356 PolarHBondContact O-N 3.44Å; W354-H356 PolarHBondContact O-N 3.07Å; H356-P388 HydrophobicContact CB-CB 3.76Å
357	R	65.8	Low	70	Confident	173 Å²	173	82.5 Å²	82.5	65%	0.653	42%	0.419	S	S	*	.			trans	-115.4	115.6	172.7	-63	-175.8	-177	-156.4	1.4	107.4	S355 S359	S355-R357 PolarHBondContact O-N 3.45Å; R357-S359 VanDerWaalsContact C-N 3.32Å; R357-S359 PolarHBondContact O-N 2.75Å
358	Q	58.3	Low	68.3	Low	119 Å²	119	87.3 Å²	87.3	56%	0.556	45%	0.45	S	S	*	.			trans	-66.2	101.2	157.2	-73.5	-173.1	-1.2	0	0	106.3	S214 N360	S214-Q358 PolarHBondContact O-NE2 2.9Å; Q358-N360 PolarHBondContact O-N 3.02Å
359	S	51.5	Low	67	Low	78 Å²	78	88.7 Å²	88.7	55%	0.545	46%	0.46	S	S	.	.			trans	-66	119.6	-178.5	59.6	0	0	0	0	109.6	R357	R357-S359 VanDerWaalsContact C-N 3.32Å; R357-S359 PolarHBondContact O-N 2.75Å
360	N	46.3	Very low	66.2	Low	162 Å²	162	90.7 Å²	90.7	87%	0.866	47%	0.473	S	S	*	.	S	Bend	trans	-92.4	-20.2	136	-78.3	-4.2	0	0	0	111	Q358	Q358-N360 PolarHBondContact O-N 3.02Å
361	N	43.6	Very low	65.6	Low	151 Å²	151	90.8 Å²	90.8	81%	0.807	48%	0.477	S	S	*	.	S	Bend	trans	-110.4	72.2	-179.1	-68.2	-18.5	0	0	0	110.1	Q363	N361-Q363 PolarHBondContact O-N 3.41Å
362	A	46.6	Very low	65	Low	84 Å²	84	92.6 Å²	92.6	69%	0.694	50%	0.496	S	S	*	.			trans	-60.2	102.4	166.9	0	0	0	0	0	108.3	S364	A362-S364 PolarHBondContact O-N 3.15Å
363	Q	48.3	Very low	65.1	Low	157 Å²	157	92.4 Å²	92.4	73%	0.734	49%	0.494	S	S	*	.			trans	-61.5	133.9	165.4	-86.7	-178.2	-19	0	0	108.5	N361 S365	N361-Q363 PolarHBondContact O-N 3.41Å; Q363-S365 VanDerWaalsContact C-N 3.27Å; Q363-S365 PolarHBondContact O-N 3.39Å
364	S	46.6	Very low	65.4	Low	127 Å²	127	94.3 Å²	94.3	89%	0.888	51%	0.506	S	S	*	.			trans	-57.5	77.7	179.7	177.7	0	0	0	0	112.4	A362	A362-S364 PolarHBondContact O-N 3.15Å
365	S	50.4	Low	65.9	Low	61 Å²	61	91.1 Å²	91.1	43%	0.427	50%	0.498	S	S	.	.			trans	-109.3	125.1	157.3	58.5	0	0	0	0	108	Q363 R367 P368	Q363-S365 VanDerWaalsContact C-N 3.27Å; Q363-S365 PolarHBondContact O-N 3.39Å; S365-R367 PolarHBondContact O-N 2.94Å; S365-P368 WeakPolarHBondContact OG-CA 3.46Å
366	I	54.7	Low	66.5	Low	175 Å²	175	93.4 Å²	93.4	90%	0.897	51%	0.508	S	S	*	.	S	Bend	trans	-55.1	-24.2	-178.3	-63.5	171.4	0	0	0	111.9
367	R	58.4	Low	67.4	Low	219 Å²	219	95.1 Å²	95.1	83%	0.826	52%	0.517	S	S	*	.	S	Bend	trans	-139.3	109.9	165	-66.7	-176	-177.9	-172.6	-1.3	108.9	S365	S365-R367 PolarHBondContact O-N 2.94Å
368	P	62.6	Low	68.8	Low	100 Å²	100	93.4 Å²	93.4	65%	0.649	51%	0.514	S	S	*	.	P	Polyproline II helix	trans	-61.4	146.1	171.1	27	-32.4	0	0	0	109	S365	S365-P368 WeakPolarHBondContact OG-CA 3.46Å
369	P	70.1	Confident	70.4	Confident	30 Å²	30	93.9 Å²	93.9	20%	0.195	51%	0.514	C	S	.	.	P	Polyproline II helix	trans	-56.9	151.9	172.8	-21.2	32.1	0	0	0	111.4	V231 I373 Y385	V231-P369 HydrophobicContact CG2-CB 4.13Å; P369-I373 HydrophobicContact CB-CB 3.72Å; P369-I373 HydrophobicContact CB-CG2 3.58Å; P369-I373 WeakPolarHBondContact CB-O 3.41Å; P369-I373 WeakPolarHBondContact CD-O 3.37Å; P369-I373 HydrophobicContact CG-CG2 4.12Å; P369-I373 WeakPolarHBondContact CG-O 3.47Å; P369-Y385 HydrophobicContact CG-CD1 4.31Å; P369-Y385 HydrophobicContact CG-CE1 3.83Å
370	P	80.6	Confident	72.3	Confident	42 Å²	42	93 Å²	93	27%	0.273	52%	0.517	S	S	.	.	S	Bend	trans	-65.8	161.2	-178.6	29.2	-37.5	0	0	0	112.5	G372 I373	P370-G372 VanDerWaalsContact C-N 3.29Å; P370-G372 PolarHBondContact O-N 3.38Å; P370-I373 WeakPolarHBondContact O-CB 3.44Å; P370-I373 WeakPolarHBondContact O-CG1 3.37Å; P370-I373 PolarHBondContact O-N 3.26Å; P370-I373 VanDerWaalsContact O-N 3.13Å
371	N	84.9	Confident	74.4	Confident	59 Å²	59	88.2 Å²	88.2	32%	0.316	49%	0.492	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.8	36	167.1	-54.1	-32	0	0	0	114.9	D223 I373 P388	D223-N371 PolarHBondContact O-ND2 3.19Å; N371-I373 PolarHBondContact O-N 3.46Å; N371-P388 VanDerWaalsContact O-CG 3.32Å; N371-P388 WeakPolarHBondContact O-CG 3.42Å
372	G	85.4	Confident	76.9	Confident	38 Å²	38	81.2 Å²	81.2	39%	0.392	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.2	10.9	177.1	0	0	0	0	0	114.5	P370 P388	P370-G372 VanDerWaalsContact C-N 3.29Å; P370-G372 PolarHBondContact O-N 3.38Å; G372-P388 WeakPolarHBondContact O-CD 3.29Å
373	I	91.7	Very high	79.3	Confident	3 Å²	3	78.2 Å²	78.2	2%	0.015	43%	0.426	C	S	.	.			trans	-66.8	138.6	173.9	-70.3	167.4	0	0	0	109.6	A228 W349 P369 P370 N371 Y385 G386 A387	A228-I373 HydrophobicContact CB-CD1 4.11Å; W349-I373 HydrophobicContact CH2-CD1 4.06Å; W349-I373 HydrophobicContact CH2-CG2 3.9Å; W349-I373 HydrophobicContact CZ3-CD1 4.03Å; W349-I373 HydrophobicContact CZ3-CG1 4.26Å; W349-I373 HydrophobicContact CZ3-CG2 3.67Å; P369-I373 HydrophobicContact CB-CB 3.72Å; P369-I373 HydrophobicContact CB-CG2 3.58Å; P369-I373 WeakPolarHBondContact CB-O 3.41Å; P369-I373 WeakPolarHBondContact CD-O 3.37Å; P369-I373 HydrophobicContact CG-CG2 4.12Å; P369-I373 WeakPolarHBondContact CG-O 3.47Å; P370-I373 WeakPolarHBondContact O-CB 3.44Å; P370-I373 WeakPolarHBondContact O-CG1 3.37Å; P370-I373 PolarHBondContact O-N 3.26Å; P370-I373 VanDerWaalsContact O-N 3.13Å; N371-I373 PolarHBondContact O-N 3.46Å; I373-Y385 HydrophobicContact CG2-CD1 3.62Å; I373-Y385 HydrophobicContact CG2-CE1 4.44Å; I373-Y385 HydrophobicContact CG2-CG 4.33Å; I373-G386 WeakPolarHBondContact CA-O 3.16Å; I373-A387 HydrophobicContact CG1-CB 4.34Å
374	V	91	Very high	81.6	Confident	40 Å²	40	70.8 Å²	70.8	24%	0.242	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	137.1	-178.9	-66.3	0	0	0	0	110.6	E376 Y385 G386	V374-E376 HydrophobicContact CG2-CG 3.85Å; V374-E376 PolarHBondContact O-N 2.77Å; V374-Y385 CarbonylContact O-C 3.49Å; V374-Y385 VanDerWaalsContact O-CA 3.25Å; V374-Y385 WeakPolarHBondContact O-CA 3.39Å; V374-G386 PolarHBondContact N-O 3.42Å; V374-G386 PolarHBondContact O-N 2.73Å
375	L	93	Very high	84.1	Confident	61 Å²	61	65.8 Å²	65.8	32%	0.319	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	103.7	167.3	177.9	62.6	0	0	0	107.7	K378 H383 Y385	L375-K378 HydrophobicContact CD2-CB 4.49Å; L375-H383 HydrophobicContact CD1-CB 4.11Å; L375-Y385 HydrophobicContact CB-CD1 4.08Å; L375-Y385 HydrophobicContact CB-CE1 3.75Å; L375-Y385 HydrophobicContact CD1-CD1 4.41Å; L375-Y385 HydrophobicContact CD1-CD2 4Å; L375-Y385 HydrophobicContact CD1-CE1 4.16Å; L375-Y385 HydrophobicContact CD1-CE2 3.72Å; L375-Y385 HydrophobicContact CD1-CG 4.35Å; L375-Y385 HydrophobicContact CG-CE1 4.49Å
376	E	92.1	Very high	86.2	Confident	51 Å²	51	62.9 Å²	62.9	24%	0.238	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	-41.9	-174.4	-67.5	-174.7	168.4	0	0	112.2	R350 S355 V374 I384 G386	R350-E376 VanDerWaalsContact CD-OE2 3.26Å; R350-E376 WeakPolarHBondContact CD-OE2 3.49Å; R350-E376 IonicContact NE-OE2 2.98Å; R350-E376 PolarHBondContact NE-OE2 2.84Å; S355-E376 WeakPolarHBondContact CB-OE1 3.31Å; S355-E376 PolarHBondContact OG-OE1 3.24Å; V374-E376 HydrophobicContact CG2-CG 3.85Å; V374-E376 PolarHBondContact O-N 2.77Å; E376-I384 PolarHBondContact N-O 2.85Å; E376-G386 VanDerWaalsContact OE1-CA 3.28Å; E376-G386 WeakPolarHBondContact OE1-CA 3.48Å
377	Q	93.6	Very high	88.2	Confident	68 Å²	68	54.6 Å²	54.6	32%	0.318	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	145.4	-176.7	-57.6	174.9	42.8	0	0	110.4	V315 I384	V315-Q377 HydrophobicContact CG2-CB 3.81Å; Q377-I384 HydrophobicContact CB-CB 4.19Å; Q377-I384 HydrophobicContact CB-CD1 4.25Å; Q377-I384 HydrophobicContact CB-CG1 4.42Å; Q377-I384 PolarHBondContact N-O 3.37Å; Q377-I384 PolarHBondContact O-N 3.21Å
378	K	94.6	Very high	89.9	Confident	136 Å²	136	44.1 Å²	44.1	59%	0.591	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.7	133.9	173.9	177.2	178.5	174.7	167	0	109.8	L375 I382 H383	L375-K378 HydrophobicContact CD2-CB 4.49Å; K378-I382 WeakPolarHBondContact CA-O 3.43Å; K378-H383 WeakPolarHBondContact CD-NE2 3.27Å; K378-H383 WeakPolarHBondContact CE-NE2 3.27Å; K378-H383 PolarHBondContact NZ-NE2 2.95Å
379	K	93.5	Very high	91.5	Very high	130 Å²	130	39.4 Å²	39.4	57%	0.565	22%	0.22	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-147.1	111.6	169.2	-175.4	174.1	-179	174.7	0	109.9	V315 D381 I382	V315-K379 HydrophobicContact CG1-CB 3.68Å; V315-K379 HydrophobicContact CG1-CD 3.33Å; V315-K379 HydrophobicContact CG1-CG 4.12Å; V315-K379 HydrophobicContact CG2-CB 4.14Å; K379-D381 PolarHBondContact O-N 3.32Å; K379-I382 PolarHBondContact N-O 3.27Å; K379-I382 WeakPolarHBondContact O-CB 3.45Å; K379-I382 PolarHBondContact O-N 3.05Å
380	G	90.2	Very high	92.8	Very high	59 Å²	59	38 Å²	38	61%	0.608	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.2	-123.6	-174.9	0	0	0	0	0	111.3	I382	G380-I382 VanDerWaalsContact C-N 3.29Å; G380-I382 PolarHBondContact O-N 3.46Å
381	D	90.6	Very high	93.5	Very high	62 Å²	62	36.4 Å²	36.4	33%	0.332	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	10.7	179.9	-76.3	-39.3	0	0	0	114.3	K342 S345 I346 K379	K342-D381 WeakPolarHBondContact CE-OD2 3.36Å; K342-D381 IonicContact NZ-OD1 2.73Å; K342-D381 IonicContact NZ-OD2 2.89Å; K342-D381 PolarHBondContact NZ-OD2 3.28Å; S345-D381 WeakPolarHBondContact OG-CB 3.27Å; I346-D381 PolarHBondContact N-O 3.01Å; K379-D381 PolarHBondContact O-N 3.32Å
382	I	95.6	Very high	94.1	Very high	4 Å²	4	35 Å²	35	2%	0.021	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	121.8	175.7	-58.1	173.2	0	0	0	109.1	L318 V319 I346 K378 K379 G380 I384	L318-I382 HydrophobicContact CB-CD1 4.25Å; L318-I382 HydrophobicContact CB-CG2 3.88Å; L318-I382 HydrophobicContact CD1-CG2 3.75Å; L318-I382 HydrophobicContact CG-CG2 4.49Å; V319-I382 HydrophobicContact CB-CD1 4.36Å; V319-I382 HydrophobicContact CG2-CD1 3.56Å; I346-I382 HydrophobicContact CB-CG1 4.27Å; I346-I382 HydrophobicContact CB-CG2 4.45Å; I346-I382 WeakPolarHBondContact O-CA 2.97Å; K378-I382 WeakPolarHBondContact CA-O 3.43Å; K379-I382 PolarHBondContact N-O 3.27Å; K379-I382 WeakPolarHBondContact O-CB 3.45Å; K379-I382 PolarHBondContact O-N 3.05Å; G380-I382 VanDerWaalsContact C-N 3.29Å; G380-I382 PolarHBondContact O-N 3.46Å; I382-I384 HydrophobicContact CG2-CG1 4.24Å
383	H	97.6	Very high	94.7	Very high	21 Å²	21	33.2 Å²	33.2	10%	0.097	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	128.2	177.2	-60.6	79.8	0	0	0	109.2	Y235 I346 L347 G348 L375 K378 Y385	Y235-H383 HydrophobicContact CE1-CB 4.37Å; Y235-H383 AromaticContact CE1-CG 3.94Å; Y235-H383 AromaticContact CE1-ND1 3.8Å; Y235-H383 PolarHBondContact OH-CD2 2.85Å; Y235-H383 VanDerWaalsContact OH-CD2 3.23Å; I346-H383 PolarHBondContact O-N 2.61Å; L347-H383 CarbonylContact C-O 3.45Å; L347-H383 WeakPolarHBondContact CA-O 3.25Å; L347-H383 HydrophobicContact CD1-CB 4.39Å; G348-H383 PolarHBondContact N-O 3.09Å; L375-H383 HydrophobicContact CD1-CB 4.11Å; K378-H383 WeakPolarHBondContact CD-NE2 3.27Å; K378-H383 WeakPolarHBondContact CE-NE2 3.27Å; K378-H383 PolarHBondContact NZ-NE2 2.95Å; H383-Y385 HydrophobicContact CB-CE2 4.08Å
384	I	97.5	Very high	94.9	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	115.1	-179.6	-50.6	-179.7	0	0	0	108.6	V315 L318 G348 R350 E376 Q377 I382	V315-I384 HydrophobicContact CG2-CD1 4.29Å; L318-I384 HydrophobicContact CD1-CD1 3.63Å; L318-I384 HydrophobicContact CD1-CG1 3.66Å; L318-I384 HydrophobicContact CG-CD1 4.36Å; G348-I384 CarbonylContact O-C 3.42Å; G348-I384 WeakPolarHBondContact O-CA 3.38Å; R350-I384 HydrophobicContact CG-CG2 3.94Å; E376-I384 PolarHBondContact N-O 2.85Å; Q377-I384 HydrophobicContact CB-CB 4.19Å; Q377-I384 HydrophobicContact CB-CD1 4.25Å; Q377-I384 HydrophobicContact CB-CG1 4.42Å; Q377-I384 PolarHBondContact N-O 3.37Å; Q377-I384 PolarHBondContact O-N 3.21Å; I382-I384 HydrophobicContact CG2-CG1 4.24Å
385	Y	97.4	Very high	95.1	Very high	23 Å²	23	33.1 Å²	33.1	9%	0.09	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	136.2	176.9	-73.9	-96.9	0	0	0	111.1	V231 Y235 L347 G348 W349 R350 P369 I373 V374 L375 H383	V231-Y385 HydrophobicContact CG1-CD1 4.42Å; V231-Y385 HydrophobicContact CG1-CD2 4.28Å; V231-Y385 HydrophobicContact CG1-CE1 4.09Å; V231-Y385 HydrophobicContact CG1-CE2 3.95Å; V231-Y385 HydrophobicContact CG1-CG 4.49Å; Y235-Y385 AromaticContact CE2-CE2 3.82Å; Y235-Y385 HydrophobicContact CE2-CE2 3.82Å; Y235-Y385 AromaticContact CZ-CE2 3.99Å; Y235-Y385 PolarHBondContact OH-OH 3.24Å; L347-Y385 HydrophobicContact CD1-CD2 3.42Å; L347-Y385 VanDerWaalsContact CD1-CD2 3.42Å; L347-Y385 HydrophobicContact CD1-CE2 3.58Å; G348-Y385 PolarHBondContact O-N 2.91Å; W349-Y385 HydrophobicContact CH2-CD1 4.48Å; W349-Y385 HydrophobicContact CH2-CG 4.1Å; W349-Y385 HydrophobicContact CZ3-CG 4.1Å; R350-Y385 PolarHBondContact N-O 2.8Å; P369-Y385 HydrophobicContact CG-CD1 4.31Å; P369-Y385 HydrophobicContact CG-CE1 3.83Å; I373-Y385 HydrophobicContact CG2-CD1 3.62Å; I373-Y385 HydrophobicContact CG2-CE1 4.44Å; I373-Y385 HydrophobicContact CG2-CG 4.33Å; V374-Y385 CarbonylContact O-C 3.49Å; V374-Y385 VanDerWaalsContact O-CA 3.25Å; V374-Y385 WeakPolarHBondContact O-CA 3.39Å; L375-Y385 HydrophobicContact CB-CD1 4.08Å; L375-Y385 HydrophobicContact CB-CE1 3.75Å; L375-Y385 HydrophobicContact CD1-CD1 4.41Å; L375-Y385 HydrophobicContact CD1-CD2 4Å; L375-Y385 HydrophobicContact CD1-CE1 4.16Å; L375-Y385 HydrophobicContact CD1-CE2 3.72Å; L375-Y385 HydrophobicContact CD1-CG 4.35Å; L375-Y385 HydrophobicContact CG-CE1 4.49Å; H383-Y385 HydrophobicContact CB-CE2 4.08Å
386	G	95.9	Very high	95.3	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	122.3	163.7	0	0	0	0	0	109.1	S355 I373 V374 E376	S355-G386 VanDerWaalsContact OG-CA 3.31Å; S355-G386 WeakPolarHBondContact OG-CA 3.36Å; I373-G386 WeakPolarHBondContact CA-O 3.16Å; V374-G386 PolarHBondContact N-O 3.42Å; V374-G386 PolarHBondContact O-N 2.73Å; E376-G386 VanDerWaalsContact OE1-CA 3.28Å; E376-G386 WeakPolarHBondContact OE1-CA 3.48Å
387	A	95.7	Very high	95.6	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	122.7	170.6	0	0	0	0	0	107.4	V224 F256 W349 R350 P351 T352 I373 Y389	V224-A387 HydrophobicContact CG1-CB 3.77Å; F256-A387 HydrophobicContact CE2-CB 3.78Å; F256-A387 HydrophobicContact CZ-CB 3.91Å; W349-A387 HydrophobicContact CE3-CB 3.92Å; W349-A387 HydrophobicContact CZ3-CB 4.09Å; R350-A387 PolarHBondContact O-N 3.35Å; P351-A387 WeakPolarHBondContact CA-O 3.36Å; T352-A387 PolarHBondContact N-O 2.98Å; I373-A387 HydrophobicContact CG1-CB 4.34Å; A387-Y389 PolarHBondContact O-N 3.08Å
388	P	95	Very high	95.8	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.152	C	C	.	.			trans	-72.6	52	-178.5	32.8	-38	0	0	0	112.1	F218 V224 T352 H356 N371 G372	F218-P388 HydrophobicContact CB-CB 3.93Å; F218-P388 WeakPolarHBondContact CB-O 3.48Å; V224-P388 HydrophobicContact CG1-CG 4.29Å; V224-P388 HydrophobicContact CG2-CG 4.07Å; T352-P388 WeakPolarHBondContact O-CA 3.24Å; H356-P388 HydrophobicContact CB-CB 3.76Å; N371-P388 VanDerWaalsContact O-CG 3.32Å; N371-P388 WeakPolarHBondContact O-CG 3.42Å; G372-P388 WeakPolarHBondContact O-CD 3.29Å
389	Y	95.8	Very high	95.9	Very high	1 Å²	1	27.3 Å²	27.3	0%	0.004	14%	0.143	C	C	.	.			trans	-100.2	125.4	-173.7	-176.7	-84.8	0	0	0	110	Q221 V224 I225 K253 R255 F256 P351 T352 G353 A387 E391	Q221-Y389 HydrophobicContact CB-CD2 4.2Å; Q221-Y389 HydrophobicContact CB-CE2 3.47Å; Q221-Y389 VanDerWaalsContact CB-CE2 3.47Å; Q221-Y389 HydrophobicContact CG-CD2 4.26Å; Q221-Y389 HydrophobicContact CG-CE2 3.64Å; Q221-Y389 PolarHBondContact NE2-OH 3.41Å; V224-Y389 HydrophobicContact CB-CD2 4.22Å; V224-Y389 HydrophobicContact CG1-CD2 4.35Å; I225-Y389 HydrophobicContact CD1-CE2 3.69Å; I225-Y389 HydrophobicContact CG1-CD2 4.11Å; I225-Y389 HydrophobicContact CG1-CE2 3.78Å; K253-Y389 HydrophobicContact CD-CD1 3.88Å; K253-Y389 HydrophobicContact CD-CE1 4.12Å; K253-Y389 PolarHBondContact NZ-O 2.78Å; R255-Y389 WeakPolarHBondContact CB-OH 3.44Å; F256-Y389 HydrophobicContact CB-CD1 4.18Å; F256-Y389 HydrophobicContact CB-CD2 4.46Å; F256-Y389 HydrophobicContact CB-CE1 4.02Å; F256-Y389 HydrophobicContact CB-CE2 4.28Å; F256-Y389 HydrophobicContact CB-CG 4.42Å; F256-Y389 HydrophobicContact CD2-CD1 4.32Å; F256-Y389 AromaticContact CD2-CD2 3.7Å; F256-Y389 HydrophobicContact CD2-CD2 3.7Å; F256-Y389 HydrophobicContact CD2-CE2 4.21Å; F256-Y389 AromaticContact CD2-CG 3.77Å; F256-Y389 HydrophobicContact CD2-CG 3.77Å; F256-Y389 HydrophobicContact CG-CG 4.46Å; P351-Y389 CarbonylContact C-O 3.48Å; P351-Y389 HydrophobicContact CB-CD1 4.11Å; P351-Y389 HydrophobicContact CB-CG 4.26Å; T352-Y389 CarbonylContact C-O 3.52Å; T352-Y389 WeakPolarHBondContact CA-O 3.37Å; T352-Y389 PolarHBondContact N-O 3.32Å; G353-Y389 PolarHBondContact N-O 3.13Å; A387-Y389 PolarHBondContact O-N 3.08Å; Y389-E391 WeakPolarHBondContact CE1-OE1 3.4Å
390	S	96.2	Very high	96.1	Very high	1 Å²	1	25 Å²	25	1%	0.007	14%	0.135	C	C	.	.			trans	-139.9	141.1	-177.1	-170.9	0	0	0	0	112.5	R174 Y211 H392	R174-S390 PolarHBondContact NH1-O 2.79Å; Y211-S390 WeakPolarHBondContact CE2-OG 3.5Å; S390-H392 VanDerWaalsContact C-N 3.26Å; S390-H392 WeakPolarHBondContact CB-O 3.34Å; S390-H392 PolarHBondContact OG-N 3.25Å; S390-H392 PolarHBondContact OG-O 3.06Å
391	E	96	Very high	96.5	Very high	7 Å²	7	22.2 Å²	22.2	3%	0.033	11%	0.106	C	C	.	.	S	Bend	trans	-85.8	-0.6	166.4	-70.1	79.8	177	0	0	111.8	H149 F173 R174 K253 Y389	H149-E391 HydrophobicContact CB-CB 4.45Å; H149-E391 VanDerWaalsContact ND1-C 3.33Å; H149-E391 VanDerWaalsContact ND1-CB 3.3Å; H149-E391 WeakPolarHBondContact ND1-CB 3.45Å; H149-E391 PolarHBondContact ND1-O 3.1Å; H149-E391 WeakPolarHBondContact O-CB 3.41Å; H149-E391 WeakPolarHBondContact O-CG 3.44Å; F173-E391 CarbonylContact C-O 3.51Å; R174-E391 WeakPolarHBondContact CB-O 3.25Å; R174-E391 PolarHBondContact N-O 3.15Å; K253-E391 WeakPolarHBondContact CA-OE1 3.41Å; K253-E391 WeakPolarHBondContact CD-OE1 2.98Å; K253-E391 WeakPolarHBondContact CD-OE2 3.29Å; K253-E391 WeakPolarHBondContact CE-OE2 3.46Å; K253-E391 PolarHBondContact N-OE1 2.97Å; K253-E391 IonicContact NZ-OE1 3.26Å; K253-E391 IonicContact NZ-OE2 3.32Å; K253-E391 PolarHBondContact NZ-OE2 2.94Å; Y389-E391 WeakPolarHBondContact CE1-OE1 3.4Å
392	H	97.4	Very high	96.9	Very high	29 Å²	29	19.2 Å²	19.2	13%	0.134	9%	0.09	C	C	.	.	S	Bend	trans	-101	152.8	165.7	-55.1	-100.1	0	0	0	110.1	H149 D172 F173 R174 D208 T210 Y211 S390	H149-H392 AromaticContact CE1-CD2 3.79Å; H149-H392 AromaticContact CE1-CE1 3.61Å; H149-H392 AromaticContact CE1-NE2 3.45Å; H149-H392 PolarHBondContact CE1-NE2 3Å; D172-H392 VanDerWaalsContact CG-CE1 3.47Å; D172-H392 IonicContact OD2-CE1 3.47Å; D172-H392 PolarHBondContact OD2-CE1 2.92Å; D172-H392 VanDerWaalsContact OD2-CE1 3.27Å; F173-H392 CarbonylContact O-C 3.54Å; F173-H392 VanDerWaalsContact O-CA 3.29Å; F173-H392 WeakPolarHBondContact O-CA 3.3Å; R174-H392 VanDerWaalsContact CD-O 3.27Å; R174-H392 WeakPolarHBondContact CD-O 3.48Å; R174-H392 PolarHBondContact NH1-O 2.84Å; D208-H392 IonicContact OD1-ND1 3.27Å; D208-H392 IonicContact OD2-CE1 3.35Å; D208-H392 IonicContact OD2-CG 2.7Å; D208-H392 IonicContact OD2-ND1 2.62Å; D208-H392 PolarHBondContact OD2-ND1 3.46Å; T210-H392 PolarHBondContact OG1-ND1 2.77Å; Y211-H392 HydrophobicContact CD2-CB 3.66Å; Y211-H392 HydrophobicContact CE2-CB 3.74Å; S390-H392 VanDerWaalsContact C-N 3.26Å; S390-H392 WeakPolarHBondContact CB-O 3.34Å; S390-H392 PolarHBondContact OG-N 3.25Å; S390-H392 PolarHBondContact OG-O 3.06Å
393	S	98.2	Very high	96.9	Very high	2 Å²	2	22 Å²	22	1%	0.014	11%	0.107	C	C	.	.	P	Polyproline II helix	trans	-61.2	139.7	176.8	-58.2	0	0	0	0	112.9	F173 R174 Y175 E397	F173-S393 WeakPolarHBondContact CZ-OG 3.38Å; F173-S393 PolarHBondContact O-N 3.35Å; F173-S393 PolarHBondContact O-OG 2.62Å; R174-S393 WeakPolarHBondContact CA-OG 3.21Å; Y175-S393 PolarHBondContact N-OG 3.37Å; S393-E397 WeakPolarHBondContact CA-OE2 3.13Å
394	S	96.3	Very high	96.8	Very high	3 Å²	3	26.1 Å²	26.1	2%	0.021	12%	0.122	C	C	.	.	P	Polyproline II helix	trans	-69.2	169.1	168.1	89.2	0	0	0	0	110.9	D217 F218 L396 E397 L398	D217-S394 PolarHBondContact OD1-OG 2.75Å; F218-S394 VanDerWaalsContact CE2-CB 3.41Å; S394-L396 PolarHBondContact O-N 3.28Å; S394-L396 PolarHBondContact OG-N 3.17Å; S394-E397 PolarHBondContact N-OE2 3.49Å; S394-E397 PolarHBondContact O-N 3.12Å; S394-E397 PolarHBondContact OG-N 3.4Å; S394-L398 VanDerWaalsContact O-CG 3.32Å; S394-L398 WeakPolarHBondContact O-CG 3.45Å; S394-L398 PolarHBondContact O-N 2.88Å
395	F	95.7	Very high	96.7	Very high	38 Å²	38	26.2 Å²	26.2	17%	0.167	12%	0.122	C	C	.	.	H	α-helix	trans	-56.6	-47.1	174	-175.9	-101.6	0	0	0	113.3	S213 Y216 D217 E397 L398 K399 T425 W429	S213-F395 WeakPolarHBondContact O-CB 3.38Å; Y216-F395 PolarHBondContact O-N 2.86Å; D217-F395 HydrophobicContact CB-CB 4.35Å; F395-E397 VanDerWaalsContact C-N 3.34Å; F395-L398 PolarHBondContact O-N 3.44Å; F395-K399 WeakPolarHBondContact O-CB 3.48Å; F395-K399 PolarHBondContact O-N 3.38Å; F395-T425 HydrophobicContact CE2-CG2 3.76Å; F395-T425 HydrophobicContact CZ-CG2 4Å; F395-W429 HydrophobicContact CD2-CH2 4.39Å; F395-W429 HydrophobicContact CD2-CZ2 4.09Å; F395-W429 HydrophobicContact CE1-CZ2 4.35Å; F395-W429 HydrophobicContact CE2-CH2 4.19Å; F395-W429 AromaticContact CE2-CZ2 3.54Å; F395-W429 HydrophobicContact CE2-CZ2 3.54Å; F395-W429 AromaticContact CZ-CZ2 3.69Å; F395-W429 HydrophobicContact CZ-CZ2 3.69Å
396	L	95.9	Very high	96.6	Very high	75 Å²	75	28.1 Å²	28.1	39%	0.393	13%	0.132	S	C	.	.	H	α-helix	trans	-64.8	-40.1	178.7	179.6	60.2	0	0	0	111.7	D217 S394 K399 Q400	D217-L396 WeakPolarHBondContact OD1-CB 3.42Å; D217-L396 PolarHBondContact OD1-N 2.88Å; D217-L396 VanDerWaalsContact OD1-N 3.17Å; S394-L396 PolarHBondContact O-N 3.28Å; S394-L396 PolarHBondContact OG-N 3.17Å; L396-K399 PolarHBondContact O-N 3.34Å; L396-Q400 HydrophobicContact CD1-CG 4.22Å; L396-Q400 HydrophobicContact CG-CG 4.38Å; L396-Q400 WeakPolarHBondContact O-CB 3.44Å; L396-Q400 VanDerWaalsContact O-CG 3.27Å; L396-Q400 WeakPolarHBondContact O-CG 3.37Å; L396-Q400 PolarHBondContact O-N 3.31Å
397	E	98	Very high	96.6	Very high	25 Å²	25	28.1 Å²	28.1	12%	0.117	13%	0.132	C	C	.	.	H	α-helix	trans	-64.3	-44	178	-75.7	172.3	166.3	0	0	112.1	R174 Y175 S393 S394 F395 K399 Q400 F401	R174-E397 VanDerWaalsContact CD-OE2 3.26Å; R174-E397 WeakPolarHBondContact CD-OE2 3.43Å; R174-E397 IonicContact CZ-OE1 2.99Å; R174-E397 IonicContact CZ-OE2 2.99Å; R174-E397 IonicContact NE-OE1 2.78Å; R174-E397 PolarHBondContact NE-OE1 2.93Å; R174-E397 IonicContact NE-OE2 3.3Å; R174-E397 PolarHBondContact NE-OE2 3.23Å; R174-E397 IonicContact NH2-OE1 2.72Å; R174-E397 PolarHBondContact NH2-OE1 3.48Å; R174-E397 IonicContact NH2-OE2 2.96Å; R174-E397 PolarHBondContact NH2-OE2 2.7Å; R174-E397 VanDerWaalsContact NH2-OE2 3.1Å; Y175-E397 HydrophobicContact CD1-CB 3.95Å; Y175-E397 HydrophobicContact CD1-CG 4.23Å; Y175-E397 WeakPolarHBondContact CD1-O 3.48Å; S393-E397 WeakPolarHBondContact CA-OE2 3.13Å; S394-E397 PolarHBondContact N-OE2 3.49Å; S394-E397 PolarHBondContact O-N 3.12Å; S394-E397 PolarHBondContact OG-N 3.4Å; F395-E397 VanDerWaalsContact C-N 3.34Å; E397-K399 VanDerWaalsContact C-N 3.34Å; E397-K399 PolarHBondContact O-N 3.02Å; E397-Q400 PolarHBondContact O-N 3.46Å; E397-F401 WeakPolarHBondContact O-CB 3.37Å; E397-F401 PolarHBondContact O-N 2.73Å
398	L	98.4	Very high	96.7	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-59	-45.9	172.9	-71.1	173.2	0	0	0	111.2	F173 L207 D208 C212 S394 F395 F401 I402 W429	F173-L398 HydrophobicContact CE1-CD2 3.7Å; F173-L398 HydrophobicContact CZ-CD2 4.03Å; L207-L398 HydrophobicContact CD1-CD2 3.98Å; L207-L398 HydrophobicContact CD2-CD2 4.37Å; L207-L398 HydrophobicContact CG-CD2 4.29Å; D208-L398 VanDerWaalsContact O-CD2 3.28Å; D208-L398 WeakPolarHBondContact O-CD2 3.39Å; C212-L398 HydrophobicContact CB-CD1 4.06Å; S394-L398 VanDerWaalsContact O-CG 3.32Å; S394-L398 WeakPolarHBondContact O-CG 3.45Å; S394-L398 PolarHBondContact O-N 2.88Å; F395-L398 PolarHBondContact O-N 3.44Å; L398-F401 PolarHBondContact O-N 2.85Å; L398-I402 WeakPolarHBondContact O-CG1 3.4Å; L398-I402 PolarHBondContact O-N 3.41Å; L398-W429 HydrophobicContact CB-CH2 3.84Å; L398-W429 HydrophobicContact CB-CZ3 3.88Å
399	K	98	Very high	96.8	Very high	93 Å²	93	36 Å²	36	40%	0.404	17%	0.174	S	C	.	.	H	α-helix	trans	-59.7	-50.2	177.3	-178.9	176.6	179.4	-179.1	0	110.8	F395 L396 E397 F401 I402 T403 W429	F395-K399 WeakPolarHBondContact O-CB 3.48Å; F395-K399 PolarHBondContact O-N 3.38Å; L396-K399 PolarHBondContact O-N 3.34Å; E397-K399 VanDerWaalsContact C-N 3.34Å; E397-K399 PolarHBondContact O-N 3.02Å; K399-F401 PolarHBondContact O-N 3.31Å; K399-I402 PolarHBondContact O-N 2.99Å; K399-T403 HydrophobicContact CG-CG2 4.08Å; K399-T403 WeakPolarHBondContact O-CB 3.4Å; K399-T403 VanDerWaalsContact O-CG2 3.25Å; K399-T403 WeakPolarHBondContact O-CG2 3.45Å; K399-T403 PolarHBondContact O-N 3.23Å; K399-T403 PolarHBondContact O-OG1 3.4Å; K399-W429 HydrophobicContact CB-CD2 4.07Å; K399-W429 HydrophobicContact CB-CE3 4.47Å; K399-W429 HydrophobicContact CB-CH2 4.31Å; K399-W429 HydrophobicContact CB-CZ2 3.9Å; K399-W429 HydrophobicContact CG-CD2 4.09Å; K399-W429 HydrophobicContact CG-CG 4.05Å
400	Q	97.4	Very high	96.9	Very high	81 Å²	81	36.3 Å²	36.3	38%	0.379	18%	0.175	S	C	.	.	H	α-helix	trans	-60.4	-43.5	179.3	-75	174.2	-8	0	0	112.2	Y175 L396 E397 T403 R404	Y175-Q400 HydrophobicContact CD1-CB 4.49Å; Y175-Q400 HydrophobicContact CE1-CB 3.84Å; L396-Q400 HydrophobicContact CD1-CG 4.22Å; L396-Q400 HydrophobicContact CG-CG 4.38Å; L396-Q400 WeakPolarHBondContact O-CB 3.44Å; L396-Q400 VanDerWaalsContact O-CG 3.27Å; L396-Q400 WeakPolarHBondContact O-CG 3.37Å; L396-Q400 PolarHBondContact O-N 3.31Å; E397-Q400 PolarHBondContact O-N 3.46Å; Q400-T403 PolarHBondContact O-OG1 3.33Å; Q400-R404 WeakPolarHBondContact O-CB 3.24Å; Q400-R404 PolarHBondContact O-N 3.43Å
401	F	98.3	Very high	96.9	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-60.3	-48.9	178.2	-177.3	-112.6	0	0	0	111.4	L168 T170 F173 Y175 L180 L186 I205 L207 E397 L398 K399 L405	L168-F401 HydrophobicContact CD2-CE1 4.37Å; L168-F401 HydrophobicContact CD2-CZ 3.89Å; T170-F401 HydrophobicContact CG2-CE1 4.15Å; F173-F401 AromaticContact CE2-CD1 3.97Å; F173-F401 HydrophobicContact CE2-CD1 3.97Å; F173-F401 HydrophobicContact CE2-CD2 4.28Å; F173-F401 HydrophobicContact CE2-CE1 4.01Å; F173-F401 HydrophobicContact CE2-CE2 4.31Å; F173-F401 HydrophobicContact CE2-CG 4.1Å; F173-F401 HydrophobicContact CE2-CZ 4.17Å; F173-F401 AromaticContact CZ-CD1 3.7Å; F173-F401 HydrophobicContact CZ-CD1 3.7Å; F173-F401 AromaticContact CZ-CE1 3.97Å; F173-F401 HydrophobicContact CZ-CE1 3.97Å; F173-F401 HydrophobicContact CZ-CG 4.1Å; Y175-F401 HydrophobicContact CD1-CB 4.33Å; Y175-F401 HydrophobicContact CD2-CB 3.92Å; Y175-F401 AromaticContact CD2-CD2 3.4Å; Y175-F401 HydrophobicContact CD2-CD2 3.4Å; Y175-F401 HydrophobicContact CD2-CE2 4.27Å; Y175-F401 HydrophobicContact CD2-CG 4.04Å; Y175-F401 HydrophobicContact CE2-CB 4.3Å; Y175-F401 AromaticContact CE2-CD2 3.74Å; Y175-F401 HydrophobicContact CE2-CD2 3.74Å; Y175-F401 HydrophobicContact CG-CB 3.92Å; Y175-F401 HydrophobicContact CG-CD2 4.19Å; Y175-F401 HydrophobicContact CG-CG 4.41Å; L180-F401 HydrophobicContact CD1-CD2 3.8Å; L180-F401 HydrophobicContact CD1-CE2 4.33Å; L180-F401 HydrophobicContact CD2-CD2 4.32Å; L180-F401 HydrophobicContact CD2-CE2 4.02Å; L180-F401 HydrophobicContact CG-CD2 4.15Å; L180-F401 HydrophobicContact CG-CE2 4.28Å; L186-F401 HydrophobicContact CD1-CE2 4.16Å; L186-F401 HydrophobicContact CD1-CZ 4.37Å; I205-F401 HydrophobicContact CD1-CE1 4.29Å; L207-F401 HydrophobicContact CD1-CD1 4.25Å; L207-F401 HydrophobicContact CD1-CE1 4.44Å; E397-F401 WeakPolarHBondContact O-CB 3.37Å; E397-F401 PolarHBondContact O-N 2.73Å; L398-F401 PolarHBondContact O-N 2.85Å; K399-F401 PolarHBondContact O-N 3.31Å; F401-L405 HydrophobicContact CE1-CD2 4.25Å; F401-L405 HydrophobicContact CE2-CD2 4.08Å; F401-L405 HydrophobicContact CZ-CD2 3.77Å; F401-L405 WeakPolarHBondContact O-CB 3.38Å; F401-L405 PolarHBondContact O-N 3.3Å
402	I	98	Very high	96.8	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-71.7	-43.1	-178.4	-65.9	-55.5	0	0	0	112.6	I205 L207 L398 K399 R404 H406 V410 W429 L430	I205-I402 HydrophobicContact CD1-CD1 3.92Å; I205-I402 HydrophobicContact CG2-CD1 4.47Å; L207-I402 HydrophobicContact CD1-CD1 4.13Å; L207-I402 HydrophobicContact CD2-CD1 3.94Å; L207-I402 HydrophobicContact CD2-CG1 3.8Å; L398-I402 WeakPolarHBondContact O-CG1 3.4Å; L398-I402 PolarHBondContact O-N 3.41Å; K399-I402 PolarHBondContact O-N 2.99Å; I402-R404 VanDerWaalsContact C-N 3.33Å; I402-R404 PolarHBondContact O-N 2.98Å; I402-H406 VanDerWaalsContact O-CA 3.25Å; I402-H406 WeakPolarHBondContact O-CA 3.46Å; I402-H406 PolarHBondContact O-N 3Å; I402-V410 HydrophobicContact CD1-CG1 4.45Å; I402-V410 HydrophobicContact CD1-CG2 3.91Å; I402-V410 HydrophobicContact CG2-CG2 4.14Å; I402-W429 HydrophobicContact CB-CE3 4.02Å; I402-W429 HydrophobicContact CG1-CE3 4.18Å; I402-W429 HydrophobicContact CG1-CZ3 4.47Å; I402-W429 HydrophobicContact CG2-CB 4.03Å; I402-W429 HydrophobicContact CG2-CE3 4.24Å; I402-L430 HydrophobicContact CG2-CD2 3.65Å; I402-L430 HydrophobicContact CG2-CG 4.32Å
403	T	96.2	Very high	96.6	Very high	63 Å²	63	37.3 Å²	37.3	39%	0.387	18%	0.182	S	C	.	.	H	α-helix	trans	-66.4	-36.8	179.6	56.9	0	0	0	0	111.7	K399 Q400 W429	K399-T403 HydrophobicContact CG-CG2 4.08Å; K399-T403 WeakPolarHBondContact O-CB 3.4Å; K399-T403 VanDerWaalsContact O-CG2 3.25Å; K399-T403 WeakPolarHBondContact O-CG2 3.45Å; K399-T403 PolarHBondContact O-N 3.23Å; K399-T403 PolarHBondContact O-OG1 3.4Å; Q400-T403 PolarHBondContact O-OG1 3.33Å; T403-W429 HydrophobicContact CG2-CB 4Å; T403-W429 WeakPolarHBondContact CG2-O 3.37Å
404	R	94.9	Very high	96.1	Very high	107 Å²	107	39.8 Å²	39.8	40%	0.404	20%	0.197	S	C	.	.	H	α-helix	trans	-75.9	-44.7	179.9	-179.7	61	179.9	135.8	4.7	112.5	L180 I190 Q400 I402	L180-R404 HydrophobicContact CB-CG 4.27Å; L180-R404 HydrophobicContact CD1-CB 3.73Å; L180-R404 HydrophobicContact CD1-CG 3.64Å; I190-R404 HydrophobicContact CD1-CG 4.3Å; I190-R404 VanDerWaalsContact CG2-O 3.3Å; I190-R404 WeakPolarHBondContact CG2-O 3.22Å; Q400-R404 WeakPolarHBondContact O-CB 3.24Å; Q400-R404 PolarHBondContact O-N 3.43Å; I402-R404 VanDerWaalsContact C-N 3.33Å; I402-R404 PolarHBondContact O-N 2.98Å
405	L	95.6	Very high	95.2	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-77.7	-27.7	-179.5	-170.9	54.1	0	0	0	112.2	L168 L180 L186 I190 I202 I205 F401	L168-L405 HydrophobicContact CD2-CD2 3.9Å; L180-L405 HydrophobicContact CD1-CB 4.33Å; L180-L405 HydrophobicContact CD2-CB 4.2Å; L180-L405 HydrophobicContact CD2-CD1 4.02Å; L180-L405 HydrophobicContact CD2-CD2 4.22Å; L180-L405 HydrophobicContact CD2-CG 4.39Å; L186-L405 HydrophobicContact CB-CD1 4.43Å; L186-L405 HydrophobicContact CD1-CD2 4.48Å; I190-L405 HydrophobicContact CG1-CD1 3.96Å; I202-L405 HydrophobicContact CD1-CD1 4.02Å; I202-L405 HydrophobicContact CD1-CD2 3.92Å; I202-L405 HydrophobicContact CD1-CG 4.12Å; I205-L405 HydrophobicContact CD1-CD2 3.6Å; I205-L405 HydrophobicContact CD1-CG 4.19Å; F401-L405 HydrophobicContact CE1-CD2 4.25Å; F401-L405 HydrophobicContact CE2-CD2 4.08Å; F401-L405 HydrophobicContact CZ-CD2 3.77Å; F401-L405 WeakPolarHBondContact O-CB 3.38Å; F401-L405 PolarHBondContact O-N 3.3Å
406	H	95.6	Very high	94.3	Very high	63 Å²	63	44 Å²	44	29%	0.292	23%	0.229	S	C	.	.			trans	46.2	62.2	171.7	-164.3	-119.5	0	0	0	112.9	R201 I402 L430	R201-H406 PolarHBondContact NE-O 2.82Å; R201-H406 PolarHBondContact NH1-CE1 3.45Å; R201-H406 VanDerWaalsContact NH1-CE1 3.29Å; R201-H406 PolarHBondContact NH1-ND1 3.11Å; R201-H406 PolarHBondContact NH2-CE1 3.41Å; R201-H406 PolarHBondContact NH2-ND1 3.27Å; R201-H406 VanDerWaalsContact NH2-ND1 3.11Å; R201-H406 PolarHBondContact NH2-O 3.43Å; I402-H406 VanDerWaalsContact O-CA 3.25Å; I402-H406 WeakPolarHBondContact O-CA 3.46Å; I402-H406 PolarHBondContact O-N 3Å; H406-L430 PolarHBondContact NE2-O 3.41Å
407	P	97	Very high	93.3	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.256	C	S	.	.			trans	-70	164.1	176.6	35	-41.6	0	0	0	112.2	R201 I202 I205 V410 L430	R201-P407 PolarHBondContact NH2-O 3.31Å; I202-P407 HydrophobicContact CB-CB 4.3Å; I202-P407 HydrophobicContact CG2-CB 4.47Å; I202-P407 CarbonylContact O-C 3.51Å; I202-P407 WeakPolarHBondContact O-CA 3.14Å; I202-P407 WeakPolarHBondContact O-CB 3.41Å; I205-P407 HydrophobicContact CB-CG 4.42Å; I205-P407 HydrophobicContact CD1-CB 3.78Å; I205-P407 HydrophobicContact CD1-CG 3.55Å; I205-P407 HydrophobicContact CG1-CB 3.61Å; I205-P407 HydrophobicContact CG1-CG 3.71Å; P407-V410 HydrophobicContact CG-CG2 3.61Å; P407-L430 HydrophobicContact CG-CD2 4.07Å; P407-L430 WeakPolarHBondContact O-CD2 2.82Å
408	V	97	Very high	92.5	Very high	77 Å²	77	53.4 Å²	53.4	47%	0.467	28%	0.275	S	S	.	.	S	Bend	trans	-64.2	-41	178.8	178.3	0	0	0	0	111.5	R201 I202 H203	R201-V408 HydrophobicContact CB-CG2 4.14Å; I202-V408 PolarHBondContact O-N 3.4Å; H203-V408 WeakPolarHBondContact O-CB 3.25Å
409	Q	97	Very high	91.8	Very high	89 Å²	89	55 Å²	55	42%	0.416	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	163	173.8	61.2	179.6	48.7	0	0	111.4	H203 S204 I205	H203-Q409 VanDerWaalsContact O-CG 3.28Å; H203-Q409 WeakPolarHBondContact O-CG 3.4Å; H203-Q409 PolarHBondContact O-N 3.38Å; S204-Q409 WeakPolarHBondContact CA-O 3.43Å; S204-Q409 WeakPolarHBondContact OG-CG 3.34Å; S204-Q409 PolarHBondContact OG-NE2 3.41Å; I205-Q409 PolarHBondContact N-O 3.21Å; I205-Q409 VanDerWaalsContact N-O 3.13Å
410	V	97.5	Very high	91.3	Very high	7 Å²	7	55.1 Å²	55.1	4%	0.042	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	134.1	175.3	-175.6	0	0	0	0	109.5	I205 L207 I402 P407 V426 L430	I205-V410 CarbonylContact O-C 3.2Å; I205-V410 WeakPolarHBondContact O-CA 3.32Å; L207-V410 HydrophobicContact CB-CG1 3.57Å; L207-V410 HydrophobicContact CD2-CG1 3.84Å; L207-V410 HydrophobicContact CG-CG1 4.33Å; I402-V410 HydrophobicContact CD1-CG1 4.45Å; I402-V410 HydrophobicContact CD1-CG2 3.91Å; I402-V410 HydrophobicContact CG2-CG2 4.14Å; P407-V410 HydrophobicContact CG-CG2 3.61Å; V410-V426 HydrophobicContact CB-CG1 3.51Å; V410-V426 HydrophobicContact CG1-CG1 3.46Å; V410-V426 VanDerWaalsContact CG1-CG1 3.46Å; V410-V426 HydrophobicContact CG2-CG1 3.88Å; V410-L430 HydrophobicContact CG2-CD1 4.17Å
411	Q	95.7	Very high	90.9	Very high	29 Å²	29	55.7 Å²	55.7	14%	0.136	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	106	175.2	174.8	56.2	64	0	0	108.5	I205 F206 L207 T413	I205-Q411 PolarHBondContact O-N 3.25Å; F206-Q411 CarbonylContact C-O 3.48Å; F206-Q411 VanDerWaalsContact CA-O 3.3Å; F206-Q411 WeakPolarHBondContact CA-O 3.37Å; F206-Q411 HydrophobicContact CD1-CB 4.07Å; F206-Q411 HydrophobicContact CD1-CG 3.76Å; F206-Q411 HydrophobicContact CE1-CB 4.25Å; F206-Q411 HydrophobicContact CE1-CG 3.85Å; F206-Q411 HydrophobicContact CG-CB 4.48Å; L207-Q411 PolarHBondContact N-O 3.39Å; Q411-T413 PolarHBondContact O-N 2.61Å
412	P	95.6	Very high	90.6	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.006	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59	136.6	171.1	-25.9	36.4	0	0	0	111.3	T209 I419 T422 K423	T209-P412 HydrophobicContact CG2-CB 3.98Å; T209-P412 HydrophobicContact CG2-CG 4.45Å; P412-I419 HydrophobicContact CB-CD1 3.91Å; P412-I419 HydrophobicContact CG-CD1 4.48Å; P412-T422 HydrophobicContact CB-CG2 4.11Å; P412-T422 HydrophobicContact CG-CG2 4.15Å; P412-K423 HydrophobicContact CG-CG 3.86Å
413	T	92.5	Very high	90.3	Very high	29 Å²	29	60 Å²	60	18%	0.178	32%	0.321	C	S	.	.			trans	-101.8	-15.6	179.5	57.4	0	0	0	0	113.5	F206 L207 D208 Q411 F415	F206-T413 HydrophobicContact CB-CG2 3.74Å; F206-T413 HydrophobicContact CD1-CG2 4.5Å; L207-T413 PolarHBondContact O-N 2.91Å; L207-T413 PolarHBondContact O-OG1 3.02Å; D208-T413 WeakPolarHBondContact CA-OG1 3.45Å; D208-T413 PolarHBondContact N-OG1 3.05Å; Q411-T413 PolarHBondContact O-N 2.61Å; T413-F415 WeakPolarHBondContact O-CD2 3.12Å; T413-F415 WeakPolarHBondContact O-CE2 3.31Å
414	V	86.9	Confident	90.2	Very high	54 Å²	54	61.8 Å²	61.8	33%	0.327	33%	0.329	S	S	.	.			trans	-93.6	114.9	177.4	-178.4	0	0	0	0	109.1	T209	T209-V414 PolarHBondContact OG1-N 3.05Å
415	F	78.1	Confident	90.2	Very high	82 Å²	82	58.3 Å²	58.3	36%	0.36	32%	0.319	S	S	.	.			trans	-101.8	130.7	-178.4	-66.9	-95.5	0	0	0	110.5	Y61 T413 I419	Y61-F415 AromaticContact CD1-CE1 3.81Å; Y61-F415 HydrophobicContact CD1-CE1 3.81Å; Y61-F415 AromaticContact CD1-CE2 3.62Å; Y61-F415 HydrophobicContact CD1-CE2 3.62Å; Y61-F415 AromaticContact CD1-CZ 3.16Å; Y61-F415 HydrophobicContact CD1-CZ 3.16Å; Y61-F415 HydrophobicContact CD2-CD2 4.22Å; Y61-F415 AromaticContact CD2-CE2 3.3Å; Y61-F415 HydrophobicContact CD2-CE2 3.3Å; Y61-F415 AromaticContact CD2-CZ 3.73Å; Y61-F415 HydrophobicContact CD2-CZ 3.73Å; Y61-F415 HydrophobicContact CE1-CD1 4.3Å; Y61-F415 HydrophobicContact CE1-CD2 4.13Å; Y61-F415 AromaticContact CE1-CE1 3.75Å; Y61-F415 HydrophobicContact CE1-CE1 3.75Å; Y61-F415 AromaticContact CE1-CE2 3.6Å; Y61-F415 HydrophobicContact CE1-CE2 3.6Å; Y61-F415 HydrophobicContact CE1-CG 4.48Å; Y61-F415 AromaticContact CE1-CZ 3.39Å; Y61-F415 HydrophobicContact CE1-CZ 3.39Å; Y61-F415 AromaticContact CE2-CD2 3.76Å; Y61-F415 HydrophobicContact CE2-CD2 3.76Å; Y61-F415 AromaticContact CE2-CE2 3.29Å; Y61-F415 HydrophobicContact CE2-CE2 3.29Å; Y61-F415 AromaticContact CE2-CZ 3.95Å; Y61-F415 HydrophobicContact CE2-CZ 3.95Å; Y61-F415 HydrophobicContact CG-CE1 4.39Å; Y61-F415 AromaticContact CG-CE2 3.46Å; Y61-F415 HydrophobicContact CG-CE2 3.46Å; Y61-F415 VanDerWaalsContact CG-CE2 3.46Å; Y61-F415 AromaticContact CG-CZ 3.33Å; Y61-F415 HydrophobicContact CG-CZ 3.33Å; Y61-F415 AromaticContact CZ-CD2 3.7Å; Y61-F415 AromaticContact CZ-CE2 3.44Å; Y61-F415 VanDerWaalsContact CZ-CE2 3.44Å; Y61-F415 AromaticContact CZ-CZ 3.78Å; T413-F415 WeakPolarHBondContact O-CD2 3.12Å; T413-F415 WeakPolarHBondContact O-CE2 3.31Å; F415-I419 HydrophobicContact CD1-CD1 4.22Å; F415-I419 HydrophobicContact CD1-CG1 4.12Å; F415-I419 HydrophobicContact CE1-CD1 4.38Å; F415-I419 HydrophobicContact CE1-CG1 4.4Å
416	G	77.1	Confident	90.1	Very high	47 Å²	47	58.3 Å²	58.3	49%	0.485	32%	0.319	S	S	.	.	S	Bend	trans	-164.4	-173	178.1	0	0	0	0	0	111.6	S418 I419	G416-S418 PolarHBondContact O-N 3.44Å; G416-S418 VanDerWaalsContact O-N 3.08Å; G416-I419 PolarHBondContact O-N 2.89Å
417	K	74.3	Confident	90	Very high	221 Å²	221	59.1 Å²	59.1	96%	0.961	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-25.3	-177.7	-67.9	-175	178.7	-178.2	0	113.6
418	S	80.9	Confident	90	Very high	76 Å²	76	62 Å²	62	53%	0.531	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	13.1	-175.7	-48.9	0	0	0	0	114.2	G416 T420 V421 T422	G416-S418 PolarHBondContact O-N 3.44Å; G416-S418 VanDerWaalsContact O-N 3.08Å; S418-T420 VanDerWaalsContact C-N 3.27Å; S418-T420 PolarHBondContact O-N 3.2Å; S418-V421 WeakPolarHBondContact O-CB 3.48Å; S418-V421 PolarHBondContact O-N 2.92Å; S418-T422 PolarHBondContact O-N 2.99Å; S418-T422 PolarHBondContact O-OG1 3.21Å
419	I	84.4	Confident	89.9	Confident	35 Å²	35	59 Å²	59	18%	0.179	32%	0.323	C	S	.	.	H	α-helix	trans	-56.2	-36.5	-172.8	-174.7	58.8	0	0	0	113.8	P412 F415 G416 T422 K423	P412-I419 HydrophobicContact CB-CD1 3.91Å; P412-I419 HydrophobicContact CG-CD1 4.48Å; F415-I419 HydrophobicContact CD1-CD1 4.22Å; F415-I419 HydrophobicContact CD1-CG1 4.12Å; F415-I419 HydrophobicContact CE1-CD1 4.38Å; F415-I419 HydrophobicContact CE1-CG1 4.4Å; G416-I419 PolarHBondContact O-N 2.89Å; I419-T422 PolarHBondContact O-N 3.08Å; I419-K423 HydrophobicContact CD1-CG 4.46Å; I419-K423 WeakPolarHBondContact O-CG 3.4Å; I419-K423 PolarHBondContact O-N 2.99Å
420	T	87.2	Confident	89.7	Confident	95 Å²	95	56.2 Å²	56.2	58%	0.583	31%	0.311	S	S	*	.	H	α-helix	trans	-63.5	-48.7	176.5	-50.7	0	0	0	0	110.7	S418 T422 K423 D424	S418-T420 VanDerWaalsContact C-N 3.27Å; S418-T420 PolarHBondContact O-N 3.2Å; T420-T422 VanDerWaalsContact C-N 3.31Å; T420-T422 PolarHBondContact O-N 2.86Å; T420-K423 PolarHBondContact O-N 3.48Å; T420-D424 PolarHBondContact O-N 3.06Å
421	V	89.4	Confident	89.2	Confident	94 Å²	94	67.1 Å²	67.1	57%	0.57	36%	0.358	S	S	*	.	H	α-helix	trans	-60.4	-42.3	176.7	-178.6	0	0	0	0	111	S418 D424 T425	S418-V421 WeakPolarHBondContact O-CB 3.48Å; S418-V421 PolarHBondContact O-N 2.92Å; V421-D424 PolarHBondContact O-N 3.17Å; V421-T425 VanDerWaalsContact O-CB 3.27Å; V421-T425 WeakPolarHBondContact O-CB 3.21Å; V421-T425 PolarHBondContact O-N 3.19Å; V421-T425 PolarHBondContact O-OG1 3.3Å
422	T	92	Very high	88.9	Confident	16 Å²	16	69.1 Å²	69.1	10%	0.098	37%	0.369	C	S	.	.	H	α-helix	trans	-60.7	-45.8	176	-62.5	0	0	0	0	111.6	T209 C212 P412 S418 I419 T420 T425 V426	T209-T422 HydrophobicContact CG2-CG2 3.76Å; C212-T422 HydrophobicContact CB-CG2 3.92Å; P412-T422 HydrophobicContact CB-CG2 4.11Å; P412-T422 HydrophobicContact CG-CG2 4.15Å; S418-T422 PolarHBondContact O-N 2.99Å; S418-T422 PolarHBondContact O-OG1 3.21Å; I419-T422 PolarHBondContact O-N 3.08Å; T420-T422 VanDerWaalsContact C-N 3.31Å; T420-T422 PolarHBondContact O-N 2.86Å; T422-T425 PolarHBondContact O-N 2.68Å; T422-V426 VanDerWaalsContact O-CG2 3.27Å; T422-V426 WeakPolarHBondContact O-CG2 3.39Å; T422-V426 PolarHBondContact O-N 2.73Å
423	K	91.9	Very high	88.5	Confident	73 Å²	73	72.6 Å²	72.6	32%	0.317	39%	0.388	S	S	.	.	H	α-helix	trans	-60.3	-50	176.5	-77.7	-179.8	175.5	-173.4	0	111.5	P412 I419 T420 T425 V426 H427	P412-K423 HydrophobicContact CG-CG 3.86Å; I419-K423 HydrophobicContact CD1-CG 4.46Å; I419-K423 WeakPolarHBondContact O-CG 3.4Å; I419-K423 PolarHBondContact O-N 2.99Å; T420-K423 PolarHBondContact O-N 3.48Å; K423-T425 VanDerWaalsContact C-N 3.3Å; K423-T425 PolarHBondContact O-N 3.11Å; K423-V426 PolarHBondContact O-N 2.86Å; K423-H427 WeakPolarHBondContact O-CB 3.09Å; K423-H427 PolarHBondContact O-CD2 3.1Å; K423-H427 PolarHBondContact O-N 2.83Å
424	D	93.2	Very high	88.3	Confident	102 Å²	102	75.1 Å²	75.1	55%	0.545	40%	0.4	S	S	.	.	H	α-helix	trans	-61.1	-42.1	-179.1	-65.5	-24.4	0	0	0	111.4	T420 V421 H427 S428	T420-D424 PolarHBondContact O-N 3.06Å; V421-D424 PolarHBondContact O-N 3.17Å; D424-H427 PolarHBondContact O-N 3.13Å; D424-S428 WeakPolarHBondContact O-CB 3.35Å; D424-S428 PolarHBondContact O-N 3.12Å
425	T	94.8	Very high	88.4	Confident	33 Å²	33	76.3 Å²	76.3	20%	0.202	40%	0.404	C	S	.	.	H	α-helix	trans	-59.9	-51.7	176.3	-60	0	0	0	0	111.3	F395 V421 T422 K423 S428 W429	F395-T425 HydrophobicContact CE2-CG2 3.76Å; F395-T425 HydrophobicContact CZ-CG2 4Å; V421-T425 VanDerWaalsContact O-CB 3.27Å; V421-T425 WeakPolarHBondContact O-CB 3.21Å; V421-T425 PolarHBondContact O-N 3.19Å; V421-T425 PolarHBondContact O-OG1 3.3Å; T422-T425 PolarHBondContact O-N 2.68Å; K423-T425 VanDerWaalsContact C-N 3.3Å; K423-T425 PolarHBondContact O-N 3.11Å; T425-S428 WeakPolarHBondContact O-CB 3.33Å; T425-S428 PolarHBondContact O-N 3.15Å; T425-S428 PolarHBondContact O-OG 3.13Å; T425-W429 HydrophobicContact CG2-CH2 4.41Å; T425-W429 HydrophobicContact CG2-CZ2 3.69Å
426	V	94.5	Very high	89	Confident	1 Å²	1	75.9 Å²	75.9	1%	0.006	41%	0.407	C	S	.	.	H	α-helix	trans	-66.8	-39.8	-178.9	175.7	0	0	0	0	111.5	L207 T209 V410 T422 K423 S428 W429	L207-V426 HydrophobicContact CD2-CG1 4.24Å; L207-V426 HydrophobicContact CD2-CG2 4.33Å; T209-V426 HydrophobicContact CG2-CG2 4.27Å; V410-V426 HydrophobicContact CB-CG1 3.51Å; V410-V426 HydrophobicContact CG1-CG1 3.46Å; V410-V426 VanDerWaalsContact CG1-CG1 3.46Å; V410-V426 HydrophobicContact CG2-CG1 3.88Å; T422-V426 VanDerWaalsContact O-CG2 3.27Å; T422-V426 WeakPolarHBondContact O-CG2 3.39Å; T422-V426 PolarHBondContact O-N 2.73Å; K423-V426 PolarHBondContact O-N 2.86Å; V426-S428 PolarHBondContact O-N 3.14Å; V426-W429 HydrophobicContact CB-CE3 4.26Å; V426-W429 HydrophobicContact CB-CZ3 4.39Å; V426-W429 HydrophobicContact CG1-CE3 4.22Å; V426-W429 HydrophobicContact CG2-CE3 4.13Å; V426-W429 HydrophobicContact CG2-CH2 4.3Å; V426-W429 HydrophobicContact CG2-CZ3 3.76Å; V426-W429 WeakPolarHBondContact O-CB 3.2Å; V426-W429 PolarHBondContact O-N 2.94Å; V426-W429 VanDerWaalsContact O-N 3.1Å
427	H	93.7	Very high	89.8	Confident	81 Å²	81	77.9 Å²	77.9	38%	0.375	40%	0.402	S	S	.	.	H	α-helix	trans	-62.8	-32.6	174.8	-77.5	-57	0	0	0	112.3	K423 D424 W429 L430	K423-H427 WeakPolarHBondContact O-CB 3.09Å; K423-H427 PolarHBondContact O-CD2 3.1Å; K423-H427 PolarHBondContact O-N 2.83Å; D424-H427 PolarHBondContact O-N 3.13Å; H427-W429 PolarHBondContact O-N 2.98Å; H427-L430 PolarHBondContact O-N 2.97Å
428	S	95.8	Very high	90.9	Very high	59 Å²	59	67.6 Å²	67.6	41%	0.413	36%	0.362	S	S	.	.	H	α-helix	trans	-64.4	-23.2	174.9	81.9	0	0	0	0	113.5	D424 T425 V426 L430	D424-S428 WeakPolarHBondContact O-CB 3.35Å; D424-S428 PolarHBondContact O-N 3.12Å; T425-S428 WeakPolarHBondContact O-CB 3.33Å; T425-S428 PolarHBondContact O-N 3.15Å; T425-S428 PolarHBondContact O-OG 3.13Å; V426-S428 PolarHBondContact O-N 3.14Å; S428-L430 VanDerWaalsContact C-N 3.29Å
429	W	95.8	Very high	91.7	Very high	16 Å²	16	67 Å²	67	6%	0.061	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-9.4	177.4	-57.1	-21.9	0	0	0	113.9	F395 L398 K399 I402 T403 T425 V426 H427	F395-W429 HydrophobicContact CD2-CH2 4.39Å; F395-W429 HydrophobicContact CD2-CZ2 4.09Å; F395-W429 HydrophobicContact CE1-CZ2 4.35Å; F395-W429 HydrophobicContact CE2-CH2 4.19Å; F395-W429 AromaticContact CE2-CZ2 3.54Å; F395-W429 HydrophobicContact CE2-CZ2 3.54Å; F395-W429 AromaticContact CZ-CZ2 3.69Å; F395-W429 HydrophobicContact CZ-CZ2 3.69Å; L398-W429 HydrophobicContact CB-CH2 3.84Å; L398-W429 HydrophobicContact CB-CZ3 3.88Å; K399-W429 HydrophobicContact CB-CD2 4.07Å; K399-W429 HydrophobicContact CB-CE3 4.47Å; K399-W429 HydrophobicContact CB-CH2 4.31Å; K399-W429 HydrophobicContact CB-CZ2 3.9Å; K399-W429 HydrophobicContact CG-CD2 4.09Å; K399-W429 HydrophobicContact CG-CG 4.05Å; I402-W429 HydrophobicContact CB-CE3 4.02Å; I402-W429 HydrophobicContact CG1-CE3 4.18Å; I402-W429 HydrophobicContact CG1-CZ3 4.47Å; I402-W429 HydrophobicContact CG2-CB 4.03Å; I402-W429 HydrophobicContact CG2-CE3 4.24Å; T403-W429 HydrophobicContact CG2-CB 4Å; T403-W429 WeakPolarHBondContact CG2-O 3.37Å; T425-W429 HydrophobicContact CG2-CH2 4.41Å; T425-W429 HydrophobicContact CG2-CZ2 3.69Å; V426-W429 HydrophobicContact CB-CE3 4.26Å; V426-W429 HydrophobicContact CB-CZ3 4.39Å; V426-W429 HydrophobicContact CG1-CE3 4.22Å; V426-W429 HydrophobicContact CG2-CE3 4.13Å; V426-W429 HydrophobicContact CG2-CH2 4.3Å; V426-W429 HydrophobicContact CG2-CZ3 3.76Å; V426-W429 WeakPolarHBondContact O-CB 3.2Å; V426-W429 PolarHBondContact O-N 2.94Å; V426-W429 VanDerWaalsContact O-N 3.1Å; H427-W429 PolarHBondContact O-N 2.98Å
430	L	92.4	Very high	92.3	Very high	30 Å²	30	69.7 Å²	69.7	16%	0.157	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-5.1	174.7	-59.9	-179.9	0	0	0	113	I402 H406 P407 V410 H427 S428	I402-L430 HydrophobicContact CG2-CD2 3.65Å; I402-L430 HydrophobicContact CG2-CG 4.32Å; H406-L430 PolarHBondContact NE2-O 3.41Å; P407-L430 HydrophobicContact CG-CD2 4.07Å; P407-L430 WeakPolarHBondContact O-CD2 2.82Å; V410-L430 HydrophobicContact CG2-CD1 4.17Å; H427-L430 PolarHBondContact O-N 2.97Å; S428-L430 VanDerWaalsContact C-N 3.29Å
431	K	87.3	Confident	92.8	Very high	236 Å²	236	67.4 Å²	67.4	100%	1.026	34%	0.343	S	S	*	.			trans	-92.6	0	172.6	-63.4	-178.4	-179	179.9	0	108.6

Retrieved 431 of 431 residues in 141.4 ms (Link to these results)

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