A0A090KM72_HUMAN Loading...

HLA class I antigen

Involved in the presentation of foreign antigens to the immune system.

AlphaFold DB (A0A0U5PUA3), UniProt , Accession A0A090KM72, Species HUMAN (Homo sapiens, Human), Gene HLA-C, Length 366 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.1	Very low	41.7	Very low	239 Å²	239	143.3 Å²	143.3	100%	1.177	72%	0.718	S	S	*	*				0	105	0	-74.5	165.3	167.9	0	0	108	V3	M1-V3 PolarHBondContact O-N 3.45Å
2	R	35	Very low	41.9	Very low	251 Å²	251	142.6 Å²	142.6	95%	0.947	72%	0.717	S	S	*	*			trans	-81.6	108.3	170.5	-96.3	-179.9	173.5	166.1	-1.9	106.6	M4	R2-M4 PolarHBondContact O-N 3.27Å; R2-M4 VanDerWaalsContact O-N 3.1Å
3	V	36.9	Very low	41.6	Very low	138 Å²	138	139.2 Å²	139.2	84%	0.836	70%	0.702	S	S	*	*			trans	-68.4	105.3	169.4	-178.5	0	0	0	0	106.4	M1 A5	M1-V3 PolarHBondContact O-N 3.45Å; V3-A5 PolarHBondContact O-N 3.1Å
4	M	40.3	Very low	41.5	Very low	178 Å²	178	133.5 Å²	133.5	88%	0.877	68%	0.681	S	S	*	*			trans	-81.4	98.7	174.3	-148.5	165.2	65.9	0	0	106.1	R2	R2-M4 PolarHBondContact O-N 3.27Å; R2-M4 VanDerWaalsContact O-N 3.1Å
5	A	43.1	Very low	41.6	Very low	56 Å²	56	126.9 Å²	126.9	46%	0.463	66%	0.66	S	S	.	*			trans	-59	141.9	172.8	0	0	0	0	0	109.2	V3 R7	V3-A5 PolarHBondContact O-N 3.1Å; A5-R7 PolarHBondContact O-N 3.08Å; A5-R7 VanDerWaalsContact O-N 3.12Å
6	P	41.6	Very low	41.8	Very low	73 Å²	73	121.5 Å²	121.5	47%	0.474	64%	0.639	S	S	.	*			trans	-66.5	117.3	-176.9	-7.9	22.7	0	0	0	108.8	T8 L9	P6-T8 PolarHBondContact O-N 3.12Å; P6-T8 VanDerWaalsContact O-N 3.08Å; P6-L9 HydrophobicContact CB-CB 4.44Å; P6-L9 HydrophobicContact CG-CD1 4.44Å; P6-L9 PolarHBondContact O-N 2.99Å
7	R	45.5	Very low	41.6	Very low	210 Å²	210	120.6 Å²	120.6	79%	0.792	64%	0.635	S	S	*	*	H	α-helix	trans	-56.3	-23.6	178.4	-80.3	177.3	163.9	153.2	-6.3	113.2	A5 L11	A5-R7 PolarHBondContact O-N 3.08Å; A5-R7 VanDerWaalsContact O-N 3.12Å; R7-L11 WeakPolarHBondContact O-CG 3.46Å; R7-L11 PolarHBondContact O-N 3.31Å
8	T	48.8	Very low	41.5	Very low	99 Å²	99	116.9 Å²	116.9	61%	0.607	62%	0.624	S	S	*	*	H	α-helix	trans	-69.2	-36	174.4	31.7	0	0	0	0	113.4	P6 L11 L12	P6-T8 PolarHBondContact O-N 3.12Å; P6-T8 VanDerWaalsContact O-N 3.08Å; T8-L11 PolarHBondContact O-N 2.72Å; T8-L12 PolarHBondContact O-N 3.05Å
9	L	42.8	Very low	41.4	Very low	108 Å²	108	115.2 Å²	115.2	57%	0.565	62%	0.615	S	S	*	*	H	α-helix	trans	-71.2	-35.6	178.8	-131.7	123	0	0	0	111.3	P6 L13	P6-L9 HydrophobicContact CB-CB 4.44Å; P6-L9 HydrophobicContact CG-CD1 4.44Å; P6-L9 PolarHBondContact O-N 2.99Å; L9-L13 HydrophobicContact CD2-CD1 4.1Å; L9-L13 WeakPolarHBondContact O-CB 3.36Å; L9-L13 WeakPolarHBondContact O-CD1 3.44Å; L9-L13 WeakPolarHBondContact O-CG 3.13Å; L9-L13 PolarHBondContact O-N 2.66Å; L9-L13 VanDerWaalsContact O-N 3.15Å
10	I	44.2	Very low	41.4	Very low	102 Å²	102	113.3 Å²	113.3	52%	0.523	61%	0.607	S	S	.	*	H	α-helix	trans	-66	-40.3	176.3	-63.1	172.8	0	0	0	110.6	S14	I10-S14 PolarHBondContact O-N 2.88Å; I10-S14 PolarHBondContact O-OG 3.5Å
11	L	47	Very low	41.4	Very low	122 Å²	122	115.6 Å²	115.6	64%	0.639	61%	0.614	S	S	*	*	H	α-helix	trans	-67.7	-42.5	-179.8	-76.6	165.6	0	0	0	113	R7 T8 S14 G15	R7-L11 WeakPolarHBondContact O-CG 3.46Å; R7-L11 PolarHBondContact O-N 3.31Å; T8-L11 PolarHBondContact O-N 2.72Å; L11-S14 VanDerWaalsContact CA-OG 3.28Å; L11-S14 WeakPolarHBondContact CA-OG 3.45Å; L11-S14 PolarHBondContact O-N 3.02Å; L11-S14 PolarHBondContact O-OG 2.99Å; L11-G15 PolarHBondContact O-N 3.25Å
12	L	43.8	Very low	41.9	Very low	135 Å²	135	108.6 Å²	108.6	71%	0.707	59%	0.585	S	S	*	*	H	α-helix	trans	-66.1	-40.9	176.8	-75.4	165.7	0	0	0	112.1	T8 G15 A16	T8-L12 PolarHBondContact O-N 3.05Å; L12-G15 PolarHBondContact O-N 3.43Å; L12-A16 WeakPolarHBondContact O-CB 3.25Å; L12-A16 PolarHBondContact O-N 3.15Å
13	L	38	Very low	42.6	Very low	99 Å²	99	99.5 Å²	99.5	52%	0.518	55%	0.551	S	S	.	*	H	α-helix	trans	-63.5	-40.4	173.6	-79.5	162.3	0	0	0	111.8	L9 L17	L9-L13 HydrophobicContact CD2-CD1 4.1Å; L9-L13 WeakPolarHBondContact O-CB 3.36Å; L9-L13 WeakPolarHBondContact O-CD1 3.44Å; L9-L13 WeakPolarHBondContact O-CG 3.13Å; L9-L13 PolarHBondContact O-N 2.66Å; L9-L13 VanDerWaalsContact O-N 3.15Å; L13-L17 VanDerWaalsContact O-CB 3.25Å; L13-L17 WeakPolarHBondContact O-CB 3.38Å; L13-L17 WeakPolarHBondContact O-CD1 3.41Å; L13-L17 VanDerWaalsContact O-CG 3.28Å; L13-L17 WeakPolarHBondContact O-CG 3.48Å; L13-L17 PolarHBondContact O-N 3.44Å
14	S	39.6	Very low	43.6	Very low	59 Å²	59	95.7 Å²	95.7	41%	0.413	53%	0.534	S	S	.	.	H	α-helix	trans	-70.2	-29.9	175.5	44.5	0	0	0	0	113.8	I10 L11 A18	I10-S14 PolarHBondContact O-N 2.88Å; I10-S14 PolarHBondContact O-OG 3.5Å; L11-S14 VanDerWaalsContact CA-OG 3.28Å; L11-S14 WeakPolarHBondContact CA-OG 3.45Å; L11-S14 PolarHBondContact O-N 3.02Å; L11-S14 PolarHBondContact O-OG 2.99Å; S14-A18 WeakPolarHBondContact O-CB 3.43Å; S14-A18 PolarHBondContact O-N 2.85Å
15	G	44	Very low	45.2	Very low	35 Å²	35	88.5 Å²	88.5	36%	0.361	51%	0.505	S	S	.	.	H	α-helix	trans	-69.3	-45	172.6	0	0	0	0	0	112.3	L11 L12 L19	L11-G15 PolarHBondContact O-N 3.25Å; L12-G15 PolarHBondContact O-N 3.43Å; G15-L19 PolarHBondContact O-N 2.85Å
16	A	44.2	Very low	47.5	Very low	40 Å²	40	88.2 Å²	88.2	33%	0.331	50%	0.5	S	S	.	.	H	α-helix	trans	-65.8	-42.9	176	0	0	0	0	0	112.2	L12 L19 T20	L12-A16 WeakPolarHBondContact O-CB 3.25Å; L12-A16 PolarHBondContact O-N 3.15Å; A16-L19 PolarHBondContact O-N 2.89Å; A16-T20 WeakPolarHBondContact O-CG2 3.27Å; A16-T20 PolarHBondContact O-N 2.89Å; A16-T20 PolarHBondContact O-OG1 2.89Å
17	L	39.2	Very low	50.1	Low	107 Å²	107	86.3 Å²	86.3	56%	0.56	49%	0.485	S	S	*	.	H	α-helix	trans	-65.2	-41.3	177.3	-78.7	162.6	0	0	0	112.4	L13 L19 T20 E21	L13-L17 VanDerWaalsContact O-CB 3.25Å; L13-L17 WeakPolarHBondContact O-CB 3.38Å; L13-L17 WeakPolarHBondContact O-CD1 3.41Å; L13-L17 VanDerWaalsContact O-CG 3.28Å; L13-L17 WeakPolarHBondContact O-CG 3.48Å; L13-L17 PolarHBondContact O-N 3.44Å; L17-L19 VanDerWaalsContact C-N 3.32Å; L17-L19 PolarHBondContact O-N 3.18Å; L17-T20 WeakPolarHBondContact CA-OG1 3.34Å; L17-T20 PolarHBondContact O-N 2.99Å; L17-T20 PolarHBondContact O-OG1 3.1Å; L17-E21 WeakPolarHBondContact O-CB 3.28Å; L17-E21 PolarHBondContact O-N 3.02Å
18	A	38.5	Very low	52.5	Low	54 Å²	54	77.4 Å²	77.4	45%	0.446	45%	0.454	S	S	.	.	H	α-helix	trans	-65.9	-33	177.7	0	0	0	0	0	113	S14 T22	S14-A18 WeakPolarHBondContact O-CB 3.43Å; S14-A18 PolarHBondContact O-N 2.85Å; A18-T22 WeakPolarHBondContact O-CB 3.42Å; A18-T22 VanDerWaalsContact O-CG2 3.27Å; A18-T22 WeakPolarHBondContact O-CG2 3.19Å; A18-T22 PolarHBondContact O-N 3.33Å; A18-T22 PolarHBondContact O-OG1 2.94Å
19	L	40.8	Very low	54.9	Low	84 Å²	84	72.7 Å²	72.7	44%	0.44	43%	0.426	S	S	.	.	H	α-helix	trans	-73.3	-38.2	173.1	-95.9	134.8	0	0	0	112.2	G15 A16 L17 T22 W23	G15-L19 PolarHBondContact O-N 2.85Å; A16-L19 PolarHBondContact O-N 2.89Å; L17-L19 VanDerWaalsContact C-N 3.32Å; L17-L19 PolarHBondContact O-N 3.18Å; L19-T22 WeakPolarHBondContact CA-OG1 3.47Å; L19-T22 PolarHBondContact O-N 3.44Å; L19-T22 PolarHBondContact O-OG1 3.02Å; L19-W23 HydrophobicContact CD2-CZ2 4.34Å
20	T	41	Very low	57.6	Low	76 Å²	76	69.8 Å²	69.8	47%	0.466	41%	0.407	S	S	.	.	H	α-helix	trans	-69.8	-34.7	175.4	52.4	0	0	0	0	113.2	A16 L17 T22	A16-T20 WeakPolarHBondContact O-CG2 3.27Å; A16-T20 PolarHBondContact O-N 2.89Å; A16-T20 PolarHBondContact O-OG1 2.89Å; L17-T20 WeakPolarHBondContact CA-OG1 3.34Å; L17-T20 PolarHBondContact O-N 2.99Å; L17-T20 PolarHBondContact O-OG1 3.1Å; T20-T22 VanDerWaalsContact C-N 3.33Å
21	E	40.2	Very low	60.2	Low	162 Å²	162	65.6 Å²	65.6	76%	0.757	39%	0.385	S	S	*	.	H	α-helix	trans	-72.8	-24.2	177.7	-115.2	-178.4	170.7	0	0	113	L17	L17-E21 WeakPolarHBondContact O-CB 3.28Å; L17-E21 PolarHBondContact O-N 3.02Å
22	T	45.8	Very low	62.6	Low	92 Å²	92	63.9 Å²	63.9	56%	0.564	37%	0.373	S	S	*	.	H	α-helix	trans	-82.1	-14.1	-176.3	38.9	0	0	0	0	114	A18 L19 T20	A18-T22 WeakPolarHBondContact O-CB 3.42Å; A18-T22 VanDerWaalsContact O-CG2 3.27Å; A18-T22 WeakPolarHBondContact O-CG2 3.19Å; A18-T22 PolarHBondContact O-N 3.33Å; A18-T22 PolarHBondContact O-OG1 2.94Å; L19-T22 WeakPolarHBondContact CA-OG1 3.47Å; L19-T22 PolarHBondContact O-N 3.44Å; L19-T22 PolarHBondContact O-OG1 3.02Å; T20-T22 VanDerWaalsContact C-N 3.33Å
23	W	48.8	Very low	65.2	Low	60 Å²	60	57.8 Å²	57.8	23%	0.227	34%	0.341	C	S	.	.	H	α-helix	trans	-103.9	-33.1	-170.4	-71.7	44	0	0	0	113.3	L19 G25 E236	L19-W23 HydrophobicContact CD2-CZ2 4.34Å; W23-G25 PolarHBondContact O-N 2.88Å; W23-E236 HydrophobicContact CE3-CB 4.24Å; W23-E236 HydrophobicContact CE3-CG 3.84Å; W23-E236 HydrophobicContact CH2-CB 4.05Å; W23-E236 HydrophobicContact CH2-CG 2.95Å; W23-E236 HydrophobicContact CZ2-CG 3.64Å; W23-E236 HydrophobicContact CZ3-CB 3.62Å; W23-E236 HydrophobicContact CZ3-CG 3.04Å
24	A	57.7	Low	68.1	Low	59 Å²	59	55.1 Å²	55.1	49%	0.488	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	107.5	-178	0	0	0	0	0	111.2	P129	A24-P129 WeakPolarHBondContact O-CG 3.21Å
25	G	75.4	Confident	70.9	Confident	26 Å²	26	52.3 Å²	52.3	27%	0.268	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.2	12.4	167.5	0	0	0	0	0	116.9	W23 P129	W23-G25 PolarHBondContact O-N 2.88Å; G25-P129 VanDerWaalsContact O-CA 3.28Å; G25-P129 WeakPolarHBondContact O-CA 3.32Å
26	S	90.7	Very high	73.5	Confident	50 Å²	50	53 Å²	53	35%	0.35	31%	0.306	S	S	.	.			trans	-83.3	142.3	164	67.8	0	0	0	0	110.6	L127	S26-L127 VanDerWaalsContact CA-O 3.29Å; S26-L127 WeakPolarHBondContact CA-O 3.36Å; S26-L127 WeakPolarHBondContact CB-O 3.5Å
27	H	95.4	Very high	75.9	Confident	33 Å²	33	52 Å²	52	15%	0.153	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	153.1	-179.6	-67.3	-77.4	0	0	0	111.1	D53 D126 L127 L192 L196	H27-D53 VanDerWaalsContact CA-OD1 3.24Å; H27-D53 WeakPolarHBondContact CA-OD1 3.24Å; H27-D53 IonicContact CE1-OD2 2.7Å; H27-D53 IonicContact CG-OD2 3.52Å; H27-D53 IonicContact ND1-OD1 3.95Å; H27-D53 IonicContact ND1-OD2 3.93Å; H27-D53 PolarHBondContact ND1-OD2 2.8Å; H27-D126 CarbonylContact O-C 3.56Å; H27-D126 WeakPolarHBondContact O-CA 3.03Å; H27-L127 PolarHBondContact N-O 3.39Å; H27-L127 PolarHBondContact O-N 3.02Å; H27-L192 HydrophobicContact CB-CD1 4.47Å; H27-L196 HydrophobicContact CB-CD1 3.68Å; H27-L196 HydrophobicContact CB-CD2 4.02Å; H27-L196 HydrophobicContact CB-CG 4.43Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.46Å
28	S	97.5	Very high	78.3	Confident	23 Å²	23	53.8 Å²	53.8	16%	0.161	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	150.4	-180	68.4	0	0	0	0	111.9	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.59Å; S28-V52 VanDerWaalsContact O-CA 3.3Å; S28-V52 WeakPolarHBondContact O-CA 3.41Å; S28-D53 PolarHBondContact N-OD1 2.88Å; S28-D53 PolarHBondContact O-N 3.28Å; S28-D53 PolarHBondContact OG-OD1 2.92Å; S28-C125 WeakPolarHBondContact CA-O 3.4Å; S28-D126 WeakPolarHBondContact CB-OD1 3.4Å
29	M	98.6	Very high	80.2	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	119.6	167.5	-175.3	172.1	60.1	0	0	108.3	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.17Å; M29-Y31 HydrophobicContact CG-CE2 4.03Å; M29-Y31 HydrophobicContact SD-CE2 3.98Å; M29-Y51 CarbonylContact C-O 3.59Å; M29-Y51 WeakPolarHBondContact CA-O 3.46Å; M29-V52 HydrophobicContact CG-CG2 4.38Å; M29-F57 HydrophobicContact CG-CE1 4.44Å; M29-F57 HydrophobicContact SD-CZ 4.34Å; M29-G124 CarbonylContact O-C 3.57Å; M29-G124 WeakPolarHBondContact O-CA 3.36Å; M29-C125 PolarHBondContact N-O 2.64Å; M29-C125 PolarHBondContact O-N 2.82Å; M29-C188 HydrophobicContact CE-CB 4.18Å; M29-C188 VanDerWaalsContact CE-O 3.23Å; M29-C188 WeakPolarHBondContact CE-O 3.46Å; M29-C188 WeakPolarHBondContact CE-SG 2.99Å; M29-W191 HydrophobicContact CE-CB 4.08Å; M29-W191 HydrophobicContact SD-CB 4.45Å; M29-L192 HydrophobicContact CB-CB 4.06Å; M29-L192 HydrophobicContact CB-CD1 4.04Å; M29-L192 HydrophobicContact CB-CD2 3.94Å; M29-L192 HydrophobicContact CB-CG 4.23Å; M29-L192 HydrophobicContact CE-CB 4.29Å; M29-L192 HydrophobicContact SD-CB 4.44Å; M29-Y195 HydrophobicContact SD-CD2 3.74Å; M29-Y195 HydrophobicContact SD-CE2 3.58Å; M29-Y195 VanDerWaalsContact SD-CE2 3.58Å
30	R	98.6	Very high	82	Confident	48 Å²	48	53.6 Å²	53.6	18%	0.181	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	131.9	-175.5	-56.9	-62.3	-177	73.6	1.2	110.6	F32 G50 Y51 D126 Y137	R30-F32 HydrophobicContact CB-CD2 4.47Å; R30-F32 HydrophobicContact CB-CE2 3.64Å; R30-F32 HydrophobicContact CB-CZ 3.98Å; R30-G50 CarbonylContact O-C 3.6Å; R30-G50 WeakPolarHBondContact O-CA 3.47Å; R30-Y51 PolarHBondContact N-O 3.05Å; R30-Y51 PolarHBondContact O-N 2.92Å; R30-D126 IonicContact CZ-OD1 3.46Å; R30-D126 VanDerWaalsContact CZ-OD1 3.29Å; R30-D126 IonicContact NE-OD1 3.18Å; R30-D126 PolarHBondContact NE-OD1 2.75Å; R30-D126 IonicContact NH2-OD1 3.41Å; R30-D126 PolarHBondContact NH2-OD1 2.7Å; R30-D126 IonicContact NH2-OD2 2.78Å; R30-D126 PolarHBondContact NH2-OD2 3.3Å; R30-Y137 VanDerWaalsContact NH2-CZ 3.33Å; R30-Y137 PolarHBondContact NH2-OH 3.44Å
31	Y	98.7	Very high	83.9	Confident	14 Å²	14	59.3 Å²	59.3	6%	0.055	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	134	169.7	-69.2	-90.1	0	0	0	109.5	M29 V49 F57 V58 M122 F123	M29-Y31 HydrophobicContact CE-CE2 4.17Å; M29-Y31 HydrophobicContact CG-CE2 4.03Å; M29-Y31 HydrophobicContact SD-CE2 3.98Å; Y31-V49 WeakPolarHBondContact CA-O 3.34Å; Y31-F57 HydrophobicContact CE1-CZ 4.01Å; Y31-F57 AromaticContact CZ-CZ 3.77Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.3Å; Y31-V58 HydrophobicContact CE1-CG2 3.98Å; Y31-M122 WeakPolarHBondContact O-CA 3.35Å; Y31-F123 VanDerWaalsContact CB-CE1 3.47Å; Y31-F123 VanDerWaalsContact CB-CZ 3.48Å; Y31-F123 HydrophobicContact CD2-CD2 4.44Å; Y31-F123 AromaticContact CD2-CE2 3.75Å; Y31-F123 HydrophobicContact CD2-CE2 3.75Å; Y31-F123 AromaticContact CD2-CZ 3.88Å; Y31-F123 HydrophobicContact CD2-CZ 3.88Å; Y31-F123 HydrophobicContact CG-CE1 4.26Å; Y31-F123 HydrophobicContact CG-CE2 4.12Å; Y31-F123 AromaticContact CG-CZ 3.76Å; Y31-F123 HydrophobicContact CG-CZ 3.76Å; Y31-F123 PolarHBondContact N-O 3.01Å; Y31-F123 PolarHBondContact O-N 3.25Å
32	F	98.8	Very high	86	Confident	86 Å²	86	54.4 Å²	54.4	38%	0.377	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	130.7	174.8	-56.3	-95.4	0	0	0	108.3	R30 A48 V49 Y51 R121 M122	R30-F32 HydrophobicContact CB-CD2 4.47Å; R30-F32 HydrophobicContact CB-CE2 3.64Å; R30-F32 HydrophobicContact CB-CZ 3.98Å; F32-A48 CarbonylContact O-C 3.53Å; F32-A48 VanDerWaalsContact O-CA 3.29Å; F32-A48 WeakPolarHBondContact O-CA 3.42Å; F32-V49 HydrophobicContact CB-CG2 3.88Å; F32-V49 HydrophobicContact CD2-CG2 4.34Å; F32-V49 PolarHBondContact N-O 3.28Å; F32-V49 PolarHBondContact O-N 3.06Å; F32-Y51 HydrophobicContact CD2-CD2 4.14Å; F32-Y51 HydrophobicContact CE2-CD2 4.16Å; F32-R121 WeakPolarHBondContact CA-O 3.36Å; F32-M122 HydrophobicContact CD1-CB 3.93Å; F32-M122 HydrophobicContact CD1-CG 3.66Å; F32-M122 HydrophobicContact CE1-CB 4.06Å; F32-M122 HydrophobicContact CE1-CG 3.37Å; F32-M122 HydrophobicContact CG-CG 4.49Å; F32-M122 HydrophobicContact CZ-CG 3.99Å
33	S	98.6	Very high	88.1	Confident	6 Å²	6	55.1 Å²	55.1	4%	0.042	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	141.8	170.5	63.7	0	0	0	0	111.3	I47 Q120 R121	S33-I47 CarbonylContact C-O 3.55Å; S33-I47 VanDerWaalsContact CA-O 3.24Å; S33-I47 WeakPolarHBondContact CA-O 3.31Å; S33-Q120 CarbonylContact O-C 3.54Å; S33-Q120 VanDerWaalsContact O-CA 3.3Å; S33-Q120 WeakPolarHBondContact O-CA 3.45Å; S33-R121 PolarHBondContact N-O 3.11Å; S33-R121 PolarHBondContact O-N 2.65Å
34	T	98.8	Very high	90.3	Very high	44 Å²	44	53.4 Å²	53.4	27%	0.27	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	123.4	179.5	-55.8	0	0	0	0	108.8	V36 F46 I47 T118 L119 Q120	T34-V36 HydrophobicContact CG2-CG2 3.96Å; T34-F46 WeakPolarHBondContact O-CA 3.44Å; T34-I47 PolarHBondContact N-O 2.93Å; T34-I47 PolarHBondContact O-N 3.03Å; T34-T118 HydrophobicContact CG2-CG2 3.88Å; T34-L119 WeakPolarHBondContact CA-O 3.37Å; T34-Q120 HydrophobicContact CG2-CG 3.99Å
35	S	98.4	Very high	92.2	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	128.1	168.4	-82.8	0	0	0	0	110.7	R45 F46 D98 T118 L119	S35-R45 CarbonylContact C-O 3.49Å; S35-R45 VanDerWaalsContact CA-O 3.23Å; S35-R45 WeakPolarHBondContact CA-O 3.42Å; S35-F46 WeakPolarHBondContact OG-CD2 3.2Å; S35-D98 VanDerWaalsContact OG-CB 3.23Å; S35-D98 WeakPolarHBondContact OG-CB 3.42Å; S35-T118 CarbonylContact O-C 3.53Å; S35-T118 WeakPolarHBondContact O-CA 3.46Å; S35-L119 PolarHBondContact N-O 3.39Å; S35-L119 PolarHBondContact O-N 3.42Å
36	V	97.8	Very high	93.3	Very high	49 Å²	49	54.1 Å²	54.1	30%	0.297	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	115.7	178.4	-173.9	0	0	0	0	109.1	T34 P44 R45 H117 T118	T34-V36 HydrophobicContact CG2-CG2 3.96Å; V36-P44 CarbonylContact O-C 3.54Å; V36-P44 WeakPolarHBondContact O-CA 3.33Å; V36-P44 WeakPolarHBondContact O-CB 3.42Å; V36-R45 PolarHBondContact N-O 3.18Å; V36-R45 PolarHBondContact O-N 3.24Å; V36-H117 WeakPolarHBondContact CA-O 3.15Å; V36-T118 HydrophobicContact CG2-CG2 4.3Å
37	S	94.9	Very high	93.6	Very high	19 Å²	19	54.1 Å²	54.1	13%	0.133	29%	0.289	C	S	.	.			trans	-76.6	135.3	172.4	61.3	0	0	0	0	110.5	S116 H117	S37-S116 WeakPolarHBondContact O-CA 3.45Å; S37-S116 VanDerWaalsContact O-CB 3.32Å; S37-S116 WeakPolarHBondContact O-CB 3.4Å; S37-S116 PolarHBondContact O-OG 3.39Å; S37-H117 PolarHBondContact N-O 3.3Å; S37-H117 PolarHBondContact OG-N 2.93Å; S37-H117 PolarHBondContact OG-O 2.86Å
38	W	88.3	Confident	93.8	Very high	144 Å²	144	52.8 Å²	52.8	55%	0.545	28%	0.283	S	S	.	.			trans	-125.8	95.8	172.4	-158.5	-50.4	0	0	0	110.2	G40 R41	W38-G40 PolarHBondContact O-N 3.16Å; W38-R41 HydrophobicContact CB-CB 4.1Å; W38-R41 VanDerWaalsContact CD1-CD 3.45Å; W38-R41 HydrophobicContact CG-CB 3.83Å; W38-R41 HydrophobicContact CG-CG 4.04Å; W38-R41 VanDerWaalsContact NE1-CD 3.26Å; W38-R41 PolarHBondContact O-N 2.87Å; W38-R41 VanDerWaalsContact O-N 3.08Å
39	P	80.3	Confident	93.9	Very high	46 Å²	46	53.1 Å²	53.1	30%	0.299	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	130.4	178.5	-27	36.4	0	0	0	111.7	R41 E113 G115	P39-R41 VanDerWaalsContact C-N 3.29Å; P39-R41 PolarHBondContact O-N 2.98Å; P39-E113 WeakPolarHBondContact CB-O 3.45Å; P39-E113 WeakPolarHBondContact CG-O 3.47Å; P39-G115 WeakPolarHBondContact CG-O 3.46Å
40	G	77.9	Confident	93.9	Very high	88 Å²	88	53.1 Å²	53.1	91%	0.907	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.3	0.6	180	0	0	0	0	0	116.2	W38	W38-G40 PolarHBondContact O-N 3.16Å
41	R	81.5	Confident	93.9	Very high	196 Å²	196	54.1 Å²	54.1	74%	0.74	29%	0.289	S	S	*	.	S	Bend	trans	-117.1	14.7	176.9	-64.7	-164.7	-175.4	-130.7	-1.6	114.8	W38 P39	W38-R41 HydrophobicContact CB-CB 4.1Å; W38-R41 VanDerWaalsContact CD1-CD 3.45Å; W38-R41 HydrophobicContact CG-CB 3.83Å; W38-R41 HydrophobicContact CG-CG 4.04Å; W38-R41 VanDerWaalsContact NE1-CD 3.26Å; W38-R41 PolarHBondContact O-N 2.87Å; W38-R41 VanDerWaalsContact O-N 3.08Å; P39-R41 VanDerWaalsContact C-N 3.29Å; P39-R41 PolarHBondContact O-N 2.98Å
42	G	84.3	Confident	93.8	Very high	59 Å²	59	53.5 Å²	53.5	61%	0.608	29%	0.286	S	S	*	.	S	Bend	trans	107	-148.7	175.8	0	0	0	0	0	112.7
43	E	90.1	Very high	93.7	Very high	107 Å²	107	50.9 Å²	50.9	50%	0.5	28%	0.276	S	S	.	.	S	Bend	trans	-76.9	154.7	-178.2	-64.7	-56	164.1	0	0	112.6	R45 R99	E43-R45 PolarHBondContact O-N 2.95Å; E43-R99 VanDerWaalsContact CD-NH2 3.28Å; E43-R99 IonicContact OE1-CZ 3.69Å; E43-R99 IonicContact OE1-NE 3.52Å; E43-R99 PolarHBondContact OE1-NE 3.33Å; E43-R99 IonicContact OE1-NH1 3.47Å; E43-R99 IonicContact OE1-NH2 3.54Å; E43-R99 PolarHBondContact OE1-NH2 3.03Å; E43-R99 VanDerWaalsContact OE2-CD 3.25Å; E43-R99 WeakPolarHBondContact OE2-CD 3.44Å; E43-R99 IonicContact OE2-CZ 3.12Å; E43-R99 IonicContact OE2-NE 3.93Å; E43-R99 PolarHBondContact OE2-NE 3.37Å; E43-R99 IonicContact OE2-NH2 3.11Å; E43-R99 PolarHBondContact OE2-NH2 3.26Å
44	P	94.5	Very high	93.5	Very high	24 Å²	24	53.6 Å²	53.6	16%	0.156	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-56.1	128	172.7	-24.3	34.5	0	0	0	111.1	V36 F46 R99 L102	V36-P44 CarbonylContact O-C 3.54Å; V36-P44 WeakPolarHBondContact O-CA 3.33Å; V36-P44 WeakPolarHBondContact O-CB 3.42Å; P44-F46 PolarHBondContact O-N 3.03Å; P44-R99 HydrophobicContact CG-CB 4.38Å; P44-R99 HydrophobicContact CG-CG 4.25Å; P44-L102 HydrophobicContact CB-CD1 3.67Å; P44-L102 HydrophobicContact CG-CD1 3.84Å
45	R	96.9	Very high	93.4	Very high	98 Å²	98	52.2 Å²	52.2	37%	0.37	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	132	172.8	-178.8	179.9	-173.4	179.1	-4	108.7	S35 V36 E43 I47 D61 S62 D63	S35-R45 CarbonylContact C-O 3.49Å; S35-R45 VanDerWaalsContact CA-O 3.23Å; S35-R45 WeakPolarHBondContact CA-O 3.42Å; V36-R45 PolarHBondContact N-O 3.18Å; V36-R45 PolarHBondContact O-N 3.24Å; E43-R45 PolarHBondContact O-N 2.95Å; R45-I47 HydrophobicContact CG-CG1 4.3Å; R45-D61 IonicContact CZ-OD1 3.34Å; R45-D61 IonicContact CZ-OD2 3.27Å; R45-D61 IonicContact NE-OD1 3.4Å; R45-D61 PolarHBondContact NE-OD1 2.92Å; R45-D61 IonicContact NE-OD2 3.72Å; R45-D61 IonicContact NH2-OD1 3.83Å; R45-D61 PolarHBondContact NH2-OD1 2.79Å; R45-D61 IonicContact NH2-OD2 3.26Å; R45-D61 PolarHBondContact NH2-OD2 3.32Å; R45-S62 WeakPolarHBondContact CA-OG 3.43Å; R45-D63 WeakPolarHBondContact CD-OD2 3.25Å; R45-D63 HydrophobicContact CG-CB 4.46Å; R45-D63 WeakPolarHBondContact CG-OD2 3.28Å; R45-D63 IonicContact NE-OD2 2.77Å
46	F	98.4	Very high	93.4	Very high	2 Å²	2	54.6 Å²	54.6	1%	0.009	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	123	176.2	174.1	-90.3	0	0	0	109.8	T34 S35 P44 A48 F60 S62 Y91 Q94 A95 D98	T34-F46 WeakPolarHBondContact O-CA 3.44Å; S35-F46 WeakPolarHBondContact OG-CD2 3.2Å; P44-F46 PolarHBondContact O-N 3.03Å; F46-A48 HydrophobicContact CE1-CB 3.7Å; F46-A48 HydrophobicContact CZ-CB 3.81Å; F46-F60 AromaticContact CD1-CD1 3.65Å; F46-F60 HydrophobicContact CD1-CD1 3.65Å; F46-F60 AromaticContact CD1-CE1 3.76Å; F46-F60 HydrophobicContact CD1-CE1 3.76Å; F46-F60 AromaticContact CE1-CD1 3.82Å; F46-F60 HydrophobicContact CE1-CD1 3.82Å; F46-F60 HydrophobicContact CE1-CE1 4.21Å; F46-S62 PolarHBondContact N-OG 3.39Å; F46-S62 PolarHBondContact O-N 3.19Å; F46-S62 PolarHBondContact O-OG 3.34Å; F46-Y91 HydrophobicContact CE1-CD1 4.27Å; F46-Q94 HydrophobicContact CE2-CB 4.14Å; F46-Q94 HydrophobicContact CE2-CG 3.64Å; F46-Q94 HydrophobicContact CZ-CB 3.91Å; F46-Q94 HydrophobicContact CZ-CG 3.76Å; F46-A95 HydrophobicContact CB-CB 3.65Å; F46-A95 HydrophobicContact CD1-CB 3.82Å; F46-A95 HydrophobicContact CD2-CB 4.09Å; F46-A95 HydrophobicContact CE1-CB 4.49Å; F46-A95 HydrophobicContact CG-CB 3.58Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.35Å
47	I	98.6	Very high	93.4	Very high	51 Å²	51	52.3 Å²	52.3	26%	0.262	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	134.7	173.4	-59.3	170.8	0	0	0	107.5	S33 T34 R45 V49 F60	S33-I47 CarbonylContact C-O 3.55Å; S33-I47 VanDerWaalsContact CA-O 3.24Å; S33-I47 WeakPolarHBondContact CA-O 3.31Å; T34-I47 PolarHBondContact N-O 2.93Å; T34-I47 PolarHBondContact O-N 3.03Å; R45-I47 HydrophobicContact CG-CG1 4.3Å; I47-V49 HydrophobicContact CG2-CG1 4.49Å; I47-F60 WeakPolarHBondContact CA-O 3.09Å
48	A	98.6	Very high	93.5	Very high	5 Å²	5	51.4 Å²	51.4	4%	0.041	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	141.7	169.7	0	0	0	0	0	110.6	F32 F46 R59 F60 Y91	F32-A48 CarbonylContact O-C 3.53Å; F32-A48 VanDerWaalsContact O-CA 3.29Å; F32-A48 WeakPolarHBondContact O-CA 3.42Å; F46-A48 HydrophobicContact CE1-CB 3.7Å; F46-A48 HydrophobicContact CZ-CB 3.81Å; A48-R59 CarbonylContact O-C 3.57Å; A48-R59 WeakPolarHBondContact O-CA 3.35Å; A48-F60 HydrophobicContact CB-CB 4.37Å; A48-F60 PolarHBondContact N-O 2.89Å; A48-F60 PolarHBondContact O-N 2.79Å; A48-Y91 HydrophobicContact CB-CD1 3.67Å; A48-Y91 HydrophobicContact CB-CE1 3.64Å
49	V	98.8	Very high	94	Very high	29 Å²	29	48.6 Å²	48.6	18%	0.176	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	146.6	175.6	-63	0	0	0	0	109.5	Y31 F32 I47 Y51 Q56 V58 R59	Y31-V49 WeakPolarHBondContact CA-O 3.34Å; F32-V49 HydrophobicContact CB-CG2 3.88Å; F32-V49 HydrophobicContact CD2-CG2 4.34Å; F32-V49 PolarHBondContact N-O 3.28Å; F32-V49 PolarHBondContact O-N 3.06Å; I47-V49 HydrophobicContact CG2-CG1 4.49Å; V49-Y51 HydrophobicContact CB-CE2 4.13Å; V49-Y51 HydrophobicContact CG2-CD2 4.37Å; V49-Y51 HydrophobicContact CG2-CE2 3.81Å; V49-Q56 VanDerWaalsContact CG1-NE2 3.27Å; V49-V58 WeakPolarHBondContact CA-O 3.4Å; V49-R59 HydrophobicContact CG1-CB 4.48Å; V49-R59 HydrophobicContact CG1-CG 4.25Å
50	G	98.6	Very high	94.9	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	139	176.8	0	0	0	0	0	110.3	R30 Q56 F57 V58	R30-G50 CarbonylContact O-C 3.6Å; R30-G50 WeakPolarHBondContact O-CA 3.47Å; G50-Q56 CarbonylContact O-C 3.55Å; G50-Q56 WeakPolarHBondContact O-CA 3.46Å; G50-F57 WeakPolarHBondContact O-CD1 3.19Å; G50-F57 PolarHBondContact O-N 3.38Å; G50-V58 PolarHBondContact N-O 2.79Å; G50-V58 VanDerWaalsContact N-O 3.08Å; G50-V58 PolarHBondContact O-N 3.34Å
51	Y	98.5	Very high	95.8	Very high	70 Å²	70	42.8 Å²	42.8	28%	0.275	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	141.7	179.1	-75	-102.6	0	0	0	110.1	M29 R30 F32 V49 T55 Q56	M29-Y51 CarbonylContact C-O 3.59Å; M29-Y51 WeakPolarHBondContact CA-O 3.46Å; R30-Y51 PolarHBondContact N-O 3.05Å; R30-Y51 PolarHBondContact O-N 2.92Å; F32-Y51 HydrophobicContact CD2-CD2 4.14Å; F32-Y51 HydrophobicContact CE2-CD2 4.16Å; V49-Y51 HydrophobicContact CB-CE2 4.13Å; V49-Y51 HydrophobicContact CG2-CD2 4.37Å; V49-Y51 HydrophobicContact CG2-CE2 3.81Å; Y51-T55 VanDerWaalsContact CA-O 3.31Å; Y51-T55 WeakPolarHBondContact CA-O 3.4Å; Y51-Q56 HydrophobicContact CD1-CB 3.97Å; Y51-Q56 VanDerWaalsContact CD1-N 3.35Å; Y51-Q56 HydrophobicContact CD2-CG 4.36Å; Y51-Q56 HydrophobicContact CE1-CB 3.48Å; Y51-Q56 VanDerWaalsContact CE1-CB 3.48Å; Y51-Q56 HydrophobicContact CE1-CG 4.22Å; Y51-Q56 HydrophobicContact CE2-CB 4.06Å; Y51-Q56 HydrophobicContact CE2-CG 3.86Å; Y51-Q56 HydrophobicContact CG-CB 4.45Å
52	V	98.1	Very high	96.6	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	120.1	155.4	177.6	0	0	0	0	105.6	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.59Å; S28-V52 VanDerWaalsContact O-CA 3.3Å; S28-V52 WeakPolarHBondContact O-CA 3.41Å; M29-V52 HydrophobicContact CG-CG2 4.38Å; V52-D54 PolarHBondContact O-N 2.84Å; V52-T55 PolarHBondContact N-O 2.84Å; V52-T55 WeakPolarHBondContact O-CB 3.41Å; V52-T55 PolarHBondContact O-N 3.28Å; V52-F57 HydrophobicContact CG2-CD1 3.99Å; V52-F57 HydrophobicContact CG2-CE1 4.02Å; V52-W75 HydrophobicContact CG2-CH2 3.97Å; V52-L192 HydrophobicContact CG1-CD1 3.61Å; V52-L192 HydrophobicContact CG2-CD1 4.28Å; V52-Y195 HydrophobicContact CG2-CD2 3.97Å; V52-Y195 HydrophobicContact CG2-CG 4.46Å; V52-L196 HydrophobicContact CG1-CD2 4.05Å; V52-L203 HydrophobicContact CB-CD1 4.28Å; V52-L203 HydrophobicContact CB-CD2 4.08Å; V52-L203 HydrophobicContact CG1-CD1 3.9Å; V52-L203 HydrophobicContact CG1-CD2 4.04Å; V52-L203 HydrophobicContact CG1-CG 4.49Å
53	D	95.8	Very high	97.1	Very high	32 Å²	32	37.2 Å²	37.2	17%	0.171	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.1	-123.4	-167.7	-54.4	-40.6	0	0	0	110.7	H27 S28	H27-D53 VanDerWaalsContact CA-OD1 3.24Å; H27-D53 WeakPolarHBondContact CA-OD1 3.24Å; H27-D53 IonicContact CE1-OD2 2.7Å; H27-D53 IonicContact CG-OD2 3.52Å; H27-D53 IonicContact ND1-OD1 3.95Å; H27-D53 IonicContact ND1-OD2 3.93Å; H27-D53 PolarHBondContact ND1-OD2 2.8Å; S28-D53 PolarHBondContact N-OD1 2.88Å; S28-D53 PolarHBondContact O-N 3.28Å; S28-D53 PolarHBondContact OG-OD1 2.92Å
54	D	95.5	Very high	97.3	Very high	63 Å²	63	34 Å²	34	34%	0.337	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	8.7	179.3	-64	-54.6	0	0	0	113.6	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 2.84Å; D54-Y233 HydrophobicContact CB-CE2 4.09Å; D54-P234 VanDerWaalsContact OD2-CB 3.3Å; D54-P234 WeakPolarHBondContact OD2-CB 3.33Å; D54-A235 HydrophobicContact CB-CB 4.25Å; D54-A235 VanDerWaalsContact CG-CB 3.48Å; D54-A235 VanDerWaalsContact OD2-CB 3.29Å; D54-A235 WeakPolarHBondContact OD2-CB 3.42Å; D54-A235 PolarHBondContact OD2-N 3.33Å; D54-F265 HydrophobicContact CB-CE2 3.8Å; D54-F265 HydrophobicContact CB-CZ 3.72Å
55	T	96.4	Very high	97.2	Very high	15 Å²	15	38.4 Å²	38.4	9%	0.092	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	113.6	-175	-59.4	0	0	0	0	111.4	Y51 V52 F57 E73 L203 Y233	Y51-T55 VanDerWaalsContact CA-O 3.31Å; Y51-T55 WeakPolarHBondContact CA-O 3.4Å; V52-T55 PolarHBondContact N-O 2.84Å; V52-T55 WeakPolarHBondContact O-CB 3.41Å; V52-T55 PolarHBondContact O-N 3.28Å; T55-F57 PolarHBondContact O-N 3.34Å; T55-E73 VanDerWaalsContact CG2-CD 3.46Å; T55-E73 HydrophobicContact CG2-CG 3.6Å; T55-E73 VanDerWaalsContact CG2-OE1 3.25Å; T55-E73 WeakPolarHBondContact CG2-OE1 2.94Å; T55-L203 HydrophobicContact CG2-CD2 4.1Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.5Å; T55-Y233 PolarHBondContact OG1-OH 2.98Å
56	Q	97.3	Very high	97.1	Very high	50 Å²	50	37.5 Å²	37.5	23%	0.234	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	120.4	176.1	-169.6	-176.6	-7.5	0	0	110.4	V49 G50 Y51 V58 R72 E73	V49-Q56 VanDerWaalsContact CG1-NE2 3.27Å; G50-Q56 CarbonylContact O-C 3.55Å; G50-Q56 WeakPolarHBondContact O-CA 3.46Å; Y51-Q56 HydrophobicContact CD1-CB 3.97Å; Y51-Q56 VanDerWaalsContact CD1-N 3.35Å; Y51-Q56 HydrophobicContact CD2-CG 4.36Å; Y51-Q56 HydrophobicContact CE1-CB 3.48Å; Y51-Q56 VanDerWaalsContact CE1-CB 3.48Å; Y51-Q56 HydrophobicContact CE1-CG 4.22Å; Y51-Q56 HydrophobicContact CE2-CB 4.06Å; Y51-Q56 HydrophobicContact CE2-CG 3.86Å; Y51-Q56 HydrophobicContact CG-CB 4.45Å; Q56-V58 PolarHBondContact NE2-O 2.66Å; Q56-R72 HydrophobicContact CG-CB 4.44Å; Q56-R72 HydrophobicContact CG-CG 4.36Å; Q56-R72 VanDerWaalsContact O-CB 3.22Å; Q56-R72 WeakPolarHBondContact O-CB 3.04Å; Q56-E73 WeakPolarHBondContact O-CG 3.36Å
57	F	97.8	Very high	97	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	-21.2	-178	75.4	-81.5	0	0	0	114.5	M29 Y31 G50 V52 T55 R72 E73 W75 V76 Y195	M29-F57 HydrophobicContact CG-CE1 4.44Å; M29-F57 HydrophobicContact SD-CZ 4.34Å; Y31-F57 HydrophobicContact CE1-CZ 4.01Å; Y31-F57 AromaticContact CZ-CZ 3.77Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.3Å; G50-F57 WeakPolarHBondContact O-CD1 3.19Å; G50-F57 PolarHBondContact O-N 3.38Å; V52-F57 HydrophobicContact CG2-CD1 3.99Å; V52-F57 HydrophobicContact CG2-CE1 4.02Å; T55-F57 PolarHBondContact O-N 3.34Å; F57-R72 PolarHBondContact O-N 3.27Å; F57-E73 HydrophobicContact CB-CB 4.39Å; F57-E73 HydrophobicContact CB-CG 4.24Å; F57-W75 HydrophobicContact CB-CH2 3.13Å; F57-W75 HydrophobicContact CB-CZ2 3.35Å; F57-W75 HydrophobicContact CB-CZ3 4.01Å; F57-W75 HydrophobicContact CD1-CH2 4.11Å; F57-W75 AromaticContact CD2-CH2 3.76Å; F57-W75 HydrophobicContact CD2-CH2 3.76Å; F57-W75 HydrophobicContact CD2-CZ3 4.04Å; F57-W75 AromaticContact CG-CH2 3.44Å; F57-W75 HydrophobicContact CG-CH2 3.44Å; F57-W75 VanDerWaalsContact CG-CH2 3.44Å; F57-W75 HydrophobicContact CG-CZ2 4.14Å; F57-W75 HydrophobicContact CG-CZ3 4.18Å; F57-V76 HydrophobicContact CB-CG1 4.37Å; F57-V76 HydrophobicContact CD2-CB 4.33Å; F57-V76 HydrophobicContact CD2-CG1 4.41Å; F57-V76 HydrophobicContact CD2-CG2 4.06Å; F57-V76 WeakPolarHBondContact O-CG1 3.21Å; F57-Y195 HydrophobicContact CD2-CE2 4.45Å; F57-Y195 HydrophobicContact CE2-CD2 4.24Å; F57-Y195 AromaticContact CE2-CE2 3.6Å; F57-Y195 HydrophobicContact CE2-CE2 3.6Å; F57-Y195 AromaticContact CE2-CZ 3.78Å; F57-Y195 HydrophobicContact CZ-CD2 4.28Å; F57-Y195 AromaticContact CZ-CE2 3.73Å; F57-Y195 HydrophobicContact CZ-CE2 3.73Å
58	V	98.1	Very high	96.9	Very high	1 Å²	1	44 Å²	44	1%	0.006	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	152.5	177.9	-71.3	0	0	0	0	112.8	Y31 V49 G50 Q56 E70 W84 Y91	Y31-V58 HydrophobicContact CE1-CG2 3.98Å; V49-V58 WeakPolarHBondContact CA-O 3.4Å; G50-V58 PolarHBondContact N-O 2.79Å; G50-V58 VanDerWaalsContact N-O 3.08Å; G50-V58 PolarHBondContact O-N 3.34Å; Q56-V58 PolarHBondContact NE2-O 2.66Å; V58-E70 WeakPolarHBondContact CA-O 3.48Å; V58-W84 HydrophobicContact CG1-CH2 3.94Å; V58-W84 HydrophobicContact CG1-CZ3 3.91Å; V58-Y91 WeakPolarHBondContact CG2-OH 3.3Å
59	R	98.2	Very high	96.8	Very high	85 Å²	85	44 Å²	44	32%	0.321	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	148.2	169.9	-179.4	169.1	165.6	179.3	-1.8	111.4	A48 V49 D61 E70 R72	A48-R59 CarbonylContact O-C 3.57Å; A48-R59 WeakPolarHBondContact O-CA 3.35Å; V49-R59 HydrophobicContact CG1-CB 4.48Å; V49-R59 HydrophobicContact CG1-CG 4.25Å; R59-D61 IonicContact NH2-OD2 2.57Å; R59-D61 PolarHBondContact NH2-OD2 3.44Å; R59-D61 VanDerWaalsContact NH2-OD2 3.14Å; R59-E70 PolarHBondContact N-O 3.22Å; R59-E70 PolarHBondContact O-N 3.14Å; R59-R72 HydrophobicContact CB-CG 4.18Å
60	F	98.6	Very high	96.7	Very high	3 Å²	3	45.2 Å²	45.2	1%	0.013	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	141.7	165.9	178.5	-84.1	0	0	0	109.1	F46 I47 A48 P67 T88 Y91 K92	F46-F60 AromaticContact CD1-CD1 3.65Å; F46-F60 HydrophobicContact CD1-CD1 3.65Å; F46-F60 AromaticContact CD1-CE1 3.76Å; F46-F60 HydrophobicContact CD1-CE1 3.76Å; F46-F60 AromaticContact CE1-CD1 3.82Å; F46-F60 HydrophobicContact CE1-CD1 3.82Å; F46-F60 HydrophobicContact CE1-CE1 4.21Å; I47-F60 WeakPolarHBondContact CA-O 3.09Å; A48-F60 HydrophobicContact CB-CB 4.37Å; A48-F60 PolarHBondContact N-O 2.89Å; A48-F60 PolarHBondContact O-N 2.79Å; F60-P67 HydrophobicContact CE2-CB 3.91Å; F60-P67 HydrophobicContact CZ-CB 3.67Å; F60-T88 HydrophobicContact CE2-CG2 4.5Å; F60-Y91 HydrophobicContact CB-CD1 4.21Å; F60-Y91 HydrophobicContact CB-CD2 3.63Å; F60-Y91 HydrophobicContact CB-CE2 4.04Å; F60-Y91 HydrophobicContact CB-CG 3.74Å; F60-Y91 HydrophobicContact CD1-CG 4.32Å; F60-Y91 AromaticContact CD2-CD2 3.69Å; F60-Y91 HydrophobicContact CD2-CD2 3.69Å; F60-Y91 AromaticContact CD2-CG 3.9Å; F60-Y91 HydrophobicContact CD2-CG 3.9Å; F60-Y91 AromaticContact CG-CD2 3.82Å; F60-Y91 HydrophobicContact CG-CD2 3.82Å; F60-Y91 AromaticContact CG-CG 3.72Å; F60-Y91 HydrophobicContact CG-CG 3.72Å; F60-K92 HydrophobicContact CE2-CG 4.34Å; F60-K92 HydrophobicContact CZ-CG 4.08Å
61	D	98.3	Very high	96.7	Very high	8 Å²	8	47.3 Å²	47.3	4%	0.043	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	122.4	176.5	-162.2	-26.4	0	0	0	109.1	R45 R59 D63 S64	R45-D61 IonicContact CZ-OD1 3.34Å; R45-D61 IonicContact CZ-OD2 3.27Å; R45-D61 IonicContact NE-OD1 3.4Å; R45-D61 PolarHBondContact NE-OD1 2.92Å; R45-D61 IonicContact NE-OD2 3.72Å; R45-D61 IonicContact NH2-OD1 3.83Å; R45-D61 PolarHBondContact NH2-OD1 2.79Å; R45-D61 IonicContact NH2-OD2 3.26Å; R45-D61 PolarHBondContact NH2-OD2 3.32Å; R59-D61 IonicContact NH2-OD2 2.57Å; R59-D61 PolarHBondContact NH2-OD2 3.44Å; R59-D61 VanDerWaalsContact NH2-OD2 3.14Å; D61-D63 PolarHBondContact O-N 2.96Å; D61-D63 PolarHBondContact OD1-N 3.38Å; D61-S64 WeakPolarHBondContact O-CB 3.47Å; D61-S64 PolarHBondContact O-N 2.93Å
62	S	96.9	Very high	96.6	Very high	34 Å²	34	49 Å²	49	24%	0.238	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-23.7	-178.5	63.4	0	0	0	0	113.4	R45 F46 S64 P67	R45-S62 WeakPolarHBondContact CA-OG 3.43Å; F46-S62 PolarHBondContact N-OG 3.39Å; F46-S62 PolarHBondContact O-N 3.19Å; F46-S62 PolarHBondContact O-OG 3.34Å; S62-S64 VanDerWaalsContact C-N 3.33Å; S62-P67 WeakPolarHBondContact O-CG 3.48Å
63	D	94.9	Very high	96.5	Very high	104 Å²	104	51.3 Å²	51.3	56%	0.556	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-3.8	-176.2	-71.7	10.8	0	0	0	112.3	R45 D61	R45-D63 WeakPolarHBondContact CD-OD2 3.25Å; R45-D63 HydrophobicContact CG-CB 4.46Å; R45-D63 WeakPolarHBondContact CG-OD2 3.28Å; R45-D63 IonicContact NE-OD2 2.77Å; D61-D63 PolarHBondContact O-N 2.96Å; D61-D63 PolarHBondContact OD1-N 3.38Å
64	S	93.9	Very high	96.5	Very high	39 Å²	39	54.1 Å²	54.1	27%	0.273	30%	0.299	S	S	.	.	S	Bend	trans	-62.3	146.8	172.3	-72.1	0	0	0	0	111.1	D61 S62 S66 P67	D61-S64 WeakPolarHBondContact O-CB 3.47Å; D61-S64 PolarHBondContact O-N 2.93Å; S62-S64 VanDerWaalsContact C-N 3.33Å; S64-S66 PolarHBondContact O-N 2.93Å; S64-S66 VanDerWaalsContact O-N 3.12Å; S64-P67 WeakPolarHBondContact O-CD 3.44Å; S64-P67 VanDerWaalsContact O-CG 3.25Å; S64-P67 WeakPolarHBondContact O-CG 3.3Å
65	A	93.8	Very high	96.5	Very high	117 Å²	117	51.8 Å²	51.8	97%	0.967	29%	0.285	S	S	*	.	S	Bend	trans	-57.6	-30.5	179.6	0	0	0	0	0	113.6
66	S	94.3	Very high	96.5	Very high	80 Å²	80	51 Å²	51	56%	0.559	28%	0.281	S	S	*	.	S	Bend	trans	-133.6	88.7	171.4	-173.6	0	0	0	0	109.2	S64 R68	S64-S66 PolarHBondContact O-N 2.93Å; S64-S66 VanDerWaalsContact O-N 3.12Å; S66-R68 PolarHBondContact O-N 3.29Å; S66-R68 VanDerWaalsContact O-N 3.09Å
67	P	95.8	Very high	96.4	Very high	35 Å²	35	54.3 Å²	54.3	23%	0.227	30%	0.296	C	S	.	.			trans	-65.1	111.4	-175	-23.4	34.8	0	0	0	111.7	F60 S62 S64 K92	F60-P67 HydrophobicContact CE2-CB 3.91Å; F60-P67 HydrophobicContact CZ-CB 3.67Å; S62-P67 WeakPolarHBondContact O-CG 3.48Å; S64-P67 WeakPolarHBondContact O-CD 3.44Å; S64-P67 VanDerWaalsContact O-CG 3.25Å; S64-P67 WeakPolarHBondContact O-CG 3.3Å; P67-K92 WeakPolarHBondContact O-CE 3.17Å; P67-K92 PolarHBondContact O-NZ 3.29Å
68	R	97.3	Very high	96.1	Very high	153 Å²	153	60.2 Å²	60.2	58%	0.577	32%	0.324	S	S	*	.			trans	-145.2	159.2	177.3	62.6	-176.2	169.7	177.3	-1.1	110.7	S66 E70 T88	S66-R68 PolarHBondContact O-N 3.29Å; S66-R68 VanDerWaalsContact O-N 3.09Å; R68-E70 HydrophobicContact CG-CG 4.43Å; R68-E70 PolarHBondContact O-N 2.87Å; R68-T88 HydrophobicContact CB-CG2 4.23Å
69	G	96.8	Very high	96	Very high	7 Å²	7	60.8 Å²	60.8	7%	0.072	33%	0.326	C	S	.	.			trans	-64.5	129.5	168.2	0	0	0	0	0	109.4	T88	G69-T88 PolarHBondContact N-OG1 3.12Å
70	E	97	Very high	95.9	Very high	53 Å²	53	58.4 Å²	58.4	25%	0.248	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	130.3	-179.4	-66.2	174.7	170.1	0	0	109.4	V58 R59 R68 R72	V58-E70 WeakPolarHBondContact CA-O 3.48Å; R59-E70 PolarHBondContact N-O 3.22Å; R59-E70 PolarHBondContact O-N 3.14Å; R68-E70 HydrophobicContact CG-CG 4.43Å; R68-E70 PolarHBondContact O-N 2.87Å; E70-R72 IonicContact OE2-CZ 3.89Å; E70-R72 IonicContact OE2-NH2 3.55Å; E70-R72 PolarHBondContact OE2-NH2 3.01Å
71	P	97.6	Very high	95.7	Very high	45 Å²	45	63 Å²	63	29%	0.292	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	148.7	171.1	28.1	-32.9	0	0	0	110.4	V76 E77 W84	P71-V76 HydrophobicContact CB-CG1 3.85Å; P71-E77 HydrophobicContact CB-CG 3.55Å; P71-E77 HydrophobicContact CG-CG 3.73Å; P71-W84 HydrophobicContact CB-CH2 3.59Å; P71-W84 HydrophobicContact CB-CZ2 3.74Å; P71-W84 HydrophobicContact CG-CH2 4.2Å; P71-W84 HydrophobicContact CG-CZ2 4.17Å
72	R	96.9	Very high	95.7	Very high	105 Å²	105	70.6 Å²	70.6	40%	0.396	39%	0.394	S	S	.	.			trans	-123.1	-6.6	173.4	-61.3	-65.5	168.1	174.8	-5.9	112.8	Q56 F57 R59 E70	Q56-R72 HydrophobicContact CG-CB 4.44Å; Q56-R72 HydrophobicContact CG-CG 4.36Å; Q56-R72 VanDerWaalsContact O-CB 3.22Å; Q56-R72 WeakPolarHBondContact O-CB 3.04Å; F57-R72 PolarHBondContact O-N 3.27Å; R59-R72 HydrophobicContact CB-CG 4.18Å; E70-R72 IonicContact OE2-CZ 3.89Å; E70-R72 IonicContact OE2-NH2 3.55Å; E70-R72 PolarHBondContact OE2-NH2 3.01Å
73	E	95.8	Very high	95.7	Very high	48 Å²	48	69.4 Å²	69.4	22%	0.224	38%	0.384	C	S	.	.	S	Bend	trans	-137.1	144	178.8	-71.8	-64.1	152.9	0	0	111.6	T55 Q56 F57 W75 V76 E77	T55-E73 VanDerWaalsContact CG2-CD 3.46Å; T55-E73 HydrophobicContact CG2-CG 3.6Å; T55-E73 VanDerWaalsContact CG2-OE1 3.25Å; T55-E73 WeakPolarHBondContact CG2-OE1 2.94Å; Q56-E73 WeakPolarHBondContact O-CG 3.36Å; F57-E73 HydrophobicContact CB-CB 4.39Å; F57-E73 HydrophobicContact CB-CG 4.24Å; E73-W75 VanDerWaalsContact C-N 3.29Å; E73-W75 HydrophobicContact CB-CD2 4.13Å; E73-W75 HydrophobicContact CB-CG 4.28Å; E73-W75 HydrophobicContact CB-CZ2 4.01Å; E73-W75 VanDerWaalsContact CB-NE1 3.31Å; E73-W75 HydrophobicContact CG-CZ2 4.06Å; E73-W75 PolarHBondContact O-N 2.94Å; E73-V76 HydrophobicContact CB-CG1 4.44Å; E73-V76 WeakPolarHBondContact O-CG1 3.41Å; E73-V76 PolarHBondContact O-N 2.89Å; E73-E77 PolarHBondContact O-N 3.45Å
74	P	95.4	Very high	95.8	Very high	92 Å²	92	66.2 Å²	66.2	60%	0.597	36%	0.364	S	S	*	.	H	α-helix	trans	-58.7	-36.5	-179	-25.7	34.7	0	0	0	114.1	V76 E77	P74-V76 PolarHBondContact O-N 2.98Å; P74-E77 WeakPolarHBondContact O-CB 3.33Å; P74-E77 PolarHBondContact O-N 2.93Å; P74-E77 VanDerWaalsContact O-N 3.1Å
75	W	95.3	Very high	96	Very high	13 Å²	13	69.5 Å²	69.5	5%	0.049	38%	0.379	C	S	.	.	H	α-helix	trans	-70.3	-14	-176.3	55.2	-103.8	0	0	0	114.1	V52 F57 E73 Q78 Y195 N198 T202 L203	V52-W75 HydrophobicContact CG2-CH2 3.97Å; F57-W75 HydrophobicContact CB-CH2 3.13Å; F57-W75 HydrophobicContact CB-CZ2 3.35Å; F57-W75 HydrophobicContact CB-CZ3 4.01Å; F57-W75 HydrophobicContact CD1-CH2 4.11Å; F57-W75 AromaticContact CD2-CH2 3.76Å; F57-W75 HydrophobicContact CD2-CH2 3.76Å; F57-W75 HydrophobicContact CD2-CZ3 4.04Å; F57-W75 AromaticContact CG-CH2 3.44Å; F57-W75 HydrophobicContact CG-CH2 3.44Å; F57-W75 VanDerWaalsContact CG-CH2 3.44Å; F57-W75 HydrophobicContact CG-CZ2 4.14Å; F57-W75 HydrophobicContact CG-CZ3 4.18Å; E73-W75 VanDerWaalsContact C-N 3.29Å; E73-W75 HydrophobicContact CB-CD2 4.13Å; E73-W75 HydrophobicContact CB-CG 4.28Å; E73-W75 HydrophobicContact CB-CZ2 4.01Å; E73-W75 VanDerWaalsContact CB-NE1 3.31Å; E73-W75 HydrophobicContact CG-CZ2 4.06Å; E73-W75 PolarHBondContact O-N 2.94Å; W75-Q78 VanDerWaalsContact O-CG 3.3Å; W75-Q78 WeakPolarHBondContact O-CG 3.46Å; W75-Q78 PolarHBondContact O-NE2 2.79Å; W75-Y195 HydrophobicContact CE3-CD1 4.24Å; W75-Y195 HydrophobicContact CH2-CG 4.22Å; W75-Y195 AromaticContact CZ3-CD1 3.59Å; W75-Y195 HydrophobicContact CZ3-CD1 3.59Å; W75-Y195 HydrophobicContact CZ3-CD2 4.36Å; W75-Y195 HydrophobicContact CZ3-CE1 4.33Å; W75-Y195 AromaticContact CZ3-CG 3.61Å; W75-Y195 HydrophobicContact CZ3-CG 3.61Å; W75-N198 HydrophobicContact CB-CB 4.38Å; W75-T202 VanDerWaalsContact CD1-OG1 3.31Å; W75-L203 HydrophobicContact CD2-CD1 4.46Å; W75-L203 HydrophobicContact CH2-CD1 4.3Å; W75-L203 HydrophobicContact CZ2-CD1 3.87Å; W75-L203 HydrophobicContact CZ2-CD2 4.14Å; W75-L203 HydrophobicContact CZ2-CG 4.39Å
76	V	96.6	Very high	96.1	Very high	0 Å²	0	68.9 Å²	68.9	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-97.3	-19.9	170.7	70.8	0	0	0	0	112.1	F57 P71 E73 P74 Q78 E79 Y83 W84 Y195	F57-V76 HydrophobicContact CB-CG1 4.37Å; F57-V76 HydrophobicContact CD2-CB 4.33Å; F57-V76 HydrophobicContact CD2-CG1 4.41Å; F57-V76 HydrophobicContact CD2-CG2 4.06Å; F57-V76 WeakPolarHBondContact O-CG1 3.21Å; P71-V76 HydrophobicContact CB-CG1 3.85Å; E73-V76 HydrophobicContact CB-CG1 4.44Å; E73-V76 WeakPolarHBondContact O-CG1 3.41Å; E73-V76 PolarHBondContact O-N 2.89Å; P74-V76 PolarHBondContact O-N 2.98Å; V76-Q78 PolarHBondContact O-N 2.79Å; V76-E79 HydrophobicContact CG2-CG 3.97Å; V76-E79 VanDerWaalsContact O-CB 3.29Å; V76-E79 WeakPolarHBondContact O-CB 3.4Å; V76-E79 WeakPolarHBondContact O-CG 3.33Å; V76-E79 PolarHBondContact O-N 2.03Å; V76-Y83 HydrophobicContact CG2-CE1 4.12Å; V76-W84 HydrophobicContact CG1-CH2 4.16Å; V76-W84 HydrophobicContact CG1-CZ2 4.36Å; V76-W84 HydrophobicContact CG2-CH2 3.95Å; V76-W84 HydrophobicContact CG2-CZ2 3.98Å; V76-W84 WeakPolarHBondContact O-CZ2 3.25Å; V76-Y195 HydrophobicContact CG2-CE1 4.37Å
77	E	94.4	Very high	96.3	Very high	119 Å²	119	65.7 Å²	65.7	56%	0.556	33%	0.327	S	S	*	.	H	α-helix	trans	-60.5	-29.5	177.6	-68.6	-177.3	175.1	0	0	112.8	P71 E73 P74 E79	P71-E77 HydrophobicContact CB-CG 3.55Å; P71-E77 HydrophobicContact CG-CG 3.73Å; E73-E77 PolarHBondContact O-N 3.45Å; P74-E77 WeakPolarHBondContact O-CB 3.33Å; P74-E77 PolarHBondContact O-N 2.93Å; P74-E77 VanDerWaalsContact O-N 3.1Å; E77-E79 PolarHBondContact O-N 2.81Å
78	Q	93.1	Very high	96.4	Very high	124 Å²	124	64.6 Å²	64.6	58%	0.579	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-11.1	175.9	65.8	-179.8	10.2	0	0	114.2	W75 V76 N198	W75-Q78 VanDerWaalsContact O-CG 3.3Å; W75-Q78 WeakPolarHBondContact O-CG 3.46Å; W75-Q78 PolarHBondContact O-NE2 2.79Å; V76-Q78 PolarHBondContact O-N 2.79Å; Q78-N198 VanDerWaalsContact NE2-CB 3.3Å; Q78-N198 PolarHBondContact NE2-ND2 2.73Å; Q78-N198 VanDerWaalsContact NE2-ND2 3.13Å; Q78-N198 PolarHBondContact NE2-OD1 2.9Å
79	E	95.6	Very high	96.4	Very high	12 Å²	12	62 Å²	62	6%	0.056	32%	0.315	C	S	.	.	S	Bend	trans	-64.9	135.9	173.8	-66.6	-62.9	162	0	0	111	V76 E77 Y83 W84 R194 N198	V76-E79 HydrophobicContact CG2-CG 3.97Å; V76-E79 VanDerWaalsContact O-CB 3.29Å; V76-E79 WeakPolarHBondContact O-CB 3.4Å; V76-E79 WeakPolarHBondContact O-CG 3.33Å; V76-E79 PolarHBondContact O-N 2.03Å; E77-E79 PolarHBondContact O-N 2.81Å; E79-Y83 HydrophobicContact CB-CD1 3.48Å; E79-Y83 VanDerWaalsContact CB-CD1 3.48Å; E79-Y83 HydrophobicContact CB-CE1 4.08Å; E79-Y83 HydrophobicContact CB-CG 3.76Å; E79-Y83 HydrophobicContact CG-CD1 4.02Å; E79-Y83 HydrophobicContact CG-CE1 4.21Å; E79-Y83 HydrophobicContact CG-CG 4.18Å; E79-W84 PolarHBondContact O-NE1 2.92Å; E79-W84 VanDerWaalsContact O-NE1 3.09Å; E79-R194 VanDerWaalsContact CD-NH2 3.35Å; E79-R194 IonicContact OE1-CZ 3.12Å; E79-R194 IonicContact OE1-NE 3.29Å; E79-R194 PolarHBondContact OE1-NE 3.04Å; E79-R194 IonicContact OE1-NH2 2.6Å; E79-R194 PolarHBondContact OE1-NH2 2.82Å; E79-R194 IonicContact OE2-CZ 2.74Å; E79-R194 IonicContact OE2-NE 3.04Å; E79-R194 IonicContact OE2-NH2 3.85Å; E79-R194 PolarHBondContact OE2-NH2 2.84Å; E79-N198 PolarHBondContact OE1-ND2 2.92Å
80	G	94.8	Very high	96.4	Very high	36 Å²	36	65.2 Å²	65.2	37%	0.371	33%	0.327	S	S	.	.			trans	-67.9	167.3	-174.7	0	0	0	0	0	114.3	E82 Y83 W84	G80-E82 PolarHBondContact O-N 2.94Å; G80-E82 VanDerWaalsContact O-N 3.17Å; G80-Y83 WeakPolarHBondContact O-CB 3.33Å; G80-Y83 PolarHBondContact O-N 3.13Å; G80-W84 PolarHBondContact O-N 3.23Å
81	P	96.1	Very high	96.5	Very high	100 Å²	100	63.6 Å²	63.6	65%	0.649	32%	0.318	S	S	*	.	H	α-helix	trans	-57.3	-34.8	-178.2	22.6	-33.5	0	0	0	113.2	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.27Å; P81-Y83 PolarHBondContact O-N 2.9Å; P81-W84 PolarHBondContact O-N 2.97Å; P81-D85 WeakPolarHBondContact O-CB 3.34Å; P81-D85 PolarHBondContact O-N 2.97Å
82	E	97	Very high	96.5	Very high	166 Å²	166	65.4 Å²	65.4	78%	0.776	32%	0.322	S	S	*	.	H	α-helix	trans	-60.3	-35	177.4	-62.8	-177.9	179.6	0	0	113.1	G80 R86	G80-E82 PolarHBondContact O-N 2.94Å; G80-E82 VanDerWaalsContact O-N 3.17Å; E82-R86 WeakPolarHBondContact O-CB 3.35Å; E82-R86 PolarHBondContact O-N 2.84Å
83	Y	96.9	Very high	96.6	Very high	10 Å²	10	68.1 Å²	68.1	4%	0.039	33%	0.332	C	S	.	.	H	α-helix	trans	-65	-52	174.8	167.9	-92.9	0	0	0	110	V76 E79 G80 P81 D85 R86 E87 W191 Y195	V76-Y83 HydrophobicContact CG2-CE1 4.12Å; E79-Y83 HydrophobicContact CB-CD1 3.48Å; E79-Y83 VanDerWaalsContact CB-CD1 3.48Å; E79-Y83 HydrophobicContact CB-CE1 4.08Å; E79-Y83 HydrophobicContact CB-CG 3.76Å; E79-Y83 HydrophobicContact CG-CD1 4.02Å; E79-Y83 HydrophobicContact CG-CE1 4.21Å; E79-Y83 HydrophobicContact CG-CG 4.18Å; G80-Y83 WeakPolarHBondContact O-CB 3.33Å; G80-Y83 PolarHBondContact O-N 3.13Å; P81-Y83 VanDerWaalsContact C-N 3.27Å; P81-Y83 PolarHBondContact O-N 2.9Å; Y83-D85 PolarHBondContact O-N 3.32Å; Y83-R86 PolarHBondContact O-N 3.3Å; Y83-E87 HydrophobicContact CD1-CG 4.43Å; Y83-E87 HydrophobicContact CD2-CG 4.14Å; Y83-E87 HydrophobicContact CE1-CG 4.04Å; Y83-E87 HydrophobicContact CE2-CG 3.7Å; Y83-E87 HydrophobicContact CG-CG 4.46Å; Y83-E87 WeakPolarHBondContact O-CG 3.36Å; Y83-E87 PolarHBondContact O-N 3.44Å; Y83-W191 AromaticContact CD2-CH2 3.48Å; Y83-W191 HydrophobicContact CD2-CH2 3.48Å; Y83-W191 VanDerWaalsContact CD2-CH2 3.48Å; Y83-W191 HydrophobicContact CD2-CZ2 4.21Å; Y83-W191 AromaticContact CD2-CZ3 3.72Å; Y83-W191 HydrophobicContact CD2-CZ3 3.72Å; Y83-W191 HydrophobicContact CE2-CE3 4.19Å; Y83-W191 AromaticContact CE2-CH2 3.84Å; Y83-W191 HydrophobicContact CE2-CH2 3.84Å; Y83-W191 HydrophobicContact CE2-CZ2 4.48Å; Y83-W191 AromaticContact CE2-CZ3 3.65Å; Y83-W191 HydrophobicContact CE2-CZ3 3.65Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.27Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.41Å; Y83-Y195 PolarHBondContact OH-OH 3Å
84	W	97.6	Very high	96.7	Very high	37 Å²	37	67.9 Å²	67.9	14%	0.14	33%	0.331	C	S	.	.	H	α-helix	trans	-63.8	-39.1	-178	-68.1	112.1	0	0	0	112.9	V58 P71 V76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG1-CH2 3.94Å; V58-W84 HydrophobicContact CG1-CZ3 3.91Å; P71-W84 HydrophobicContact CB-CH2 3.59Å; P71-W84 HydrophobicContact CB-CZ2 3.74Å; P71-W84 HydrophobicContact CG-CH2 4.2Å; P71-W84 HydrophobicContact CG-CZ2 4.17Å; V76-W84 HydrophobicContact CG1-CH2 4.16Å; V76-W84 HydrophobicContact CG1-CZ2 4.36Å; V76-W84 HydrophobicContact CG2-CH2 3.95Å; V76-W84 HydrophobicContact CG2-CZ2 3.98Å; V76-W84 WeakPolarHBondContact O-CZ2 3.25Å; E79-W84 PolarHBondContact O-NE1 2.92Å; E79-W84 VanDerWaalsContact O-NE1 3.09Å; G80-W84 PolarHBondContact O-N 3.23Å; P81-W84 PolarHBondContact O-N 2.97Å; W84-T88 WeakPolarHBondContact O-CB 3.37Å; W84-T88 PolarHBondContact O-N 2.69Å; W84-T88 PolarHBondContact O-OG1 3.01Å
85	D	97.6	Very high	96.8	Very high	107 Å²	107	64.3 Å²	64.3	57%	0.572	31%	0.309	S	S	*	.	H	α-helix	trans	-63.9	-47	174.5	-75.9	-21.7	0	0	0	110.8	P81 Y83 T88 Q89	P81-D85 WeakPolarHBondContact O-CB 3.34Å; P81-D85 PolarHBondContact O-N 2.97Å; Y83-D85 PolarHBondContact O-N 3.32Å; D85-T88 PolarHBondContact O-N 3.15Å; D85-Q89 VanDerWaalsContact O-CG 3.29Å; D85-Q89 WeakPolarHBondContact O-CG 3.27Å; D85-Q89 PolarHBondContact O-N 2.85Å
86	R	97.1	Very high	96.9	Very high	104 Å²	104	68.9 Å²	68.9	39%	0.392	33%	0.331	S	S	.	.	H	α-helix	trans	-62.3	-46.7	178.7	-175	-178.1	67.2	-151.4	-5.2	112.1	E82 Y83 Q89 K90	E82-R86 WeakPolarHBondContact O-CB 3.35Å; E82-R86 PolarHBondContact O-N 2.84Å; Y83-R86 PolarHBondContact O-N 3.3Å; R86-Q89 PolarHBondContact O-N 3.39Å; R86-K90 WeakPolarHBondContact O-CG 3.45Å; R86-K90 PolarHBondContact O-N 2.93Å
87	E	97.1	Very high	96.9	Very high	13 Å²	13	70.7 Å²	70.7	6%	0.061	35%	0.346	C	S	.	.	H	α-helix	trans	-65.7	-42.6	178.7	-65.5	-43.4	117.9	0	0	111.2	Y83 Q89 K90 Y91	Y83-E87 HydrophobicContact CD1-CG 4.43Å; Y83-E87 HydrophobicContact CD2-CG 4.14Å; Y83-E87 HydrophobicContact CE1-CG 4.04Å; Y83-E87 HydrophobicContact CE2-CG 3.7Å; Y83-E87 HydrophobicContact CG-CG 4.46Å; Y83-E87 WeakPolarHBondContact O-CG 3.36Å; Y83-E87 PolarHBondContact O-N 3.44Å; E87-Q89 VanDerWaalsContact C-N 3.31Å; E87-Q89 PolarHBondContact O-N 2.97Å; E87-K90 WeakPolarHBondContact O-CB 3.5Å; E87-K90 PolarHBondContact O-N 3.44Å; E87-K90 IonicContact OE1-NZ 2.85Å; E87-K90 PolarHBondContact OE1-NZ 2.92Å; E87-K90 WeakPolarHBondContact OE2-CD 3.29Å; E87-K90 IonicContact OE2-NZ 3.71Å; E87-K90 PolarHBondContact OE2-NZ 2.94Å; E87-Y91 HydrophobicContact CB-CE2 4.08Å; E87-Y91 WeakPolarHBondContact O-CD2 3.48Å; E87-Y91 PolarHBondContact O-N 2.72Å
88	T	98.1	Very high	97	Very high	12 Å²	12	65.1 Å²	65.1	7%	0.074	32%	0.32	C	S	.	.	H	α-helix	trans	-56.2	-44.5	173.6	-64.5	0	0	0	0	111.9	F60 R68 G69 W84 D85 K90 Y91 K92	F60-T88 HydrophobicContact CE2-CG2 4.5Å; R68-T88 HydrophobicContact CB-CG2 4.23Å; G69-T88 PolarHBondContact N-OG1 3.12Å; W84-T88 WeakPolarHBondContact O-CB 3.37Å; W84-T88 PolarHBondContact O-N 2.69Å; W84-T88 PolarHBondContact O-OG1 3.01Å; D85-T88 PolarHBondContact O-N 3.15Å; T88-K90 VanDerWaalsContact C-N 3.35Å; T88-Y91 PolarHBondContact O-N 3.36Å; T88-K92 HydrophobicContact CG2-CD 4.19Å; T88-K92 WeakPolarHBondContact O-CG 3.43Å; T88-K92 PolarHBondContact O-N 3.04Å
89	Q	98.1	Very high	97.2	Very high	100 Å²	100	62.4 Å²	62.4	47%	0.467	31%	0.305	S	S	.	.	H	α-helix	trans	-68.8	-31.5	177.3	-68.1	-58.6	-25.4	0	0	113	D85 R86 E87 R93	D85-Q89 VanDerWaalsContact O-CG 3.29Å; D85-Q89 WeakPolarHBondContact O-CG 3.27Å; D85-Q89 PolarHBondContact O-N 2.85Å; R86-Q89 PolarHBondContact O-N 3.39Å; E87-Q89 VanDerWaalsContact C-N 3.31Å; E87-Q89 PolarHBondContact O-N 2.97Å; Q89-R93 WeakPolarHBondContact O-CB 3.39Å; Q89-R93 WeakPolarHBondContact O-CG 3.19Å; Q89-R93 PolarHBondContact O-N 3.48Å; Q89-R93 PolarHBondContact O-NE 2.94Å
90	K	97.2	Very high	97.2	Very high	74 Å²	74	64.6 Å²	64.6	32%	0.322	32%	0.319	S	S	.	.	H	α-helix	trans	-65.2	-46.7	171.9	-73.4	171.9	180	172.3	0	110.9	R86 E87 T88 K92 R93 Q94	R86-K90 WeakPolarHBondContact O-CG 3.45Å; R86-K90 PolarHBondContact O-N 2.93Å; E87-K90 WeakPolarHBondContact O-CB 3.5Å; E87-K90 PolarHBondContact O-N 3.44Å; E87-K90 IonicContact OE1-NZ 2.85Å; E87-K90 PolarHBondContact OE1-NZ 2.92Å; E87-K90 WeakPolarHBondContact OE2-CD 3.29Å; E87-K90 IonicContact OE2-NZ 3.71Å; E87-K90 PolarHBondContact OE2-NZ 2.94Å; T88-K90 VanDerWaalsContact C-N 3.35Å; K90-K92 PolarHBondContact O-N 3.03Å; K90-R93 PolarHBondContact O-N 3.42Å; K90-Q94 PolarHBondContact O-N 3.35Å
91	Y	98.3	Very high	97.4	Very high	18 Å²	18	65.2 Å²	65.2	7%	0.071	31%	0.313	C	S	.	.	H	α-helix	trans	-60.7	-45.3	177	-64.4	-51.5	0	0	0	112.2	F46 A48 V58 F60 E87 T88 R93 Q94 A95	F46-Y91 HydrophobicContact CE1-CD1 4.27Å; A48-Y91 HydrophobicContact CB-CD1 3.67Å; A48-Y91 HydrophobicContact CB-CE1 3.64Å; V58-Y91 WeakPolarHBondContact CG2-OH 3.3Å; F60-Y91 HydrophobicContact CB-CD1 4.21Å; F60-Y91 HydrophobicContact CB-CD2 3.63Å; F60-Y91 HydrophobicContact CB-CE2 4.04Å; F60-Y91 HydrophobicContact CB-CG 3.74Å; F60-Y91 HydrophobicContact CD1-CG 4.32Å; F60-Y91 AromaticContact CD2-CD2 3.69Å; F60-Y91 HydrophobicContact CD2-CD2 3.69Å; F60-Y91 AromaticContact CD2-CG 3.9Å; F60-Y91 HydrophobicContact CD2-CG 3.9Å; F60-Y91 AromaticContact CG-CD2 3.82Å; F60-Y91 HydrophobicContact CG-CD2 3.82Å; F60-Y91 AromaticContact CG-CG 3.72Å; F60-Y91 HydrophobicContact CG-CG 3.72Å; E87-Y91 HydrophobicContact CB-CE2 4.08Å; E87-Y91 WeakPolarHBondContact O-CD2 3.48Å; E87-Y91 PolarHBondContact O-N 2.72Å; T88-Y91 PolarHBondContact O-N 3.36Å; Y91-R93 VanDerWaalsContact C-N 3.34Å; Y91-R93 PolarHBondContact O-N 2.97Å; Y91-Q94 PolarHBondContact O-N 3.03Å; Y91-A95 WeakPolarHBondContact O-CB 3.48Å; Y91-A95 PolarHBondContact O-N 3.42Å
92	K	98	Very high	97.4	Very high	83 Å²	83	60.8 Å²	60.8	36%	0.361	28%	0.284	S	S	.	.	H	α-helix	trans	-60.8	-41.2	176.5	-73	178.5	178.7	176.9	0	112.5	F60 P67 T88 K90 Q96	F60-K92 HydrophobicContact CE2-CG 4.34Å; F60-K92 HydrophobicContact CZ-CG 4.08Å; P67-K92 WeakPolarHBondContact O-CE 3.17Å; P67-K92 PolarHBondContact O-NZ 3.29Å; T88-K92 HydrophobicContact CG2-CD 4.19Å; T88-K92 WeakPolarHBondContact O-CG 3.43Å; T88-K92 PolarHBondContact O-N 3.04Å; K90-K92 PolarHBondContact O-N 3.03Å; K92-Q96 WeakPolarHBondContact O-CG 3.45Å; K92-Q96 PolarHBondContact O-N 3.39Å
93	R	97.9	Very high	97.3	Very high	163 Å²	163	58.9 Å²	58.9	62%	0.615	27%	0.27	S	S	*	.	H	α-helix	trans	-65.7	-41.9	175	-77.2	-175.8	-73.1	172.5	-4.9	112.1	Q89 K90 Y91 Q96 A97	Q89-R93 WeakPolarHBondContact O-CB 3.39Å; Q89-R93 WeakPolarHBondContact O-CG 3.19Å; Q89-R93 PolarHBondContact O-N 3.48Å; Q89-R93 PolarHBondContact O-NE 2.94Å; K90-R93 PolarHBondContact O-N 3.42Å; Y91-R93 VanDerWaalsContact C-N 3.34Å; Y91-R93 PolarHBondContact O-N 2.97Å; R93-Q96 PolarHBondContact O-N 3.45Å; R93-A97 PolarHBondContact O-N 3.39Å
94	Q	97.9	Very high	97.3	Very high	42 Å²	42	63.2 Å²	63.2	20%	0.196	29%	0.289	C	S	.	.	H	α-helix	trans	-63.9	-43.9	176.6	-171.9	64.1	56.9	0	0	111.4	F46 K90 Y91 Q96 A97 D98	F46-Q94 HydrophobicContact CE2-CB 4.14Å; F46-Q94 HydrophobicContact CE2-CG 3.64Å; F46-Q94 HydrophobicContact CZ-CB 3.91Å; F46-Q94 HydrophobicContact CZ-CG 3.76Å; K90-Q94 PolarHBondContact O-N 3.35Å; Y91-Q94 PolarHBondContact O-N 3.03Å; Q94-Q96 VanDerWaalsContact C-N 3.3Å; Q94-Q96 PolarHBondContact O-N 3.36Å; Q94-A97 WeakPolarHBondContact O-CB 3.1Å; Q94-A97 PolarHBondContact O-N 2.95Å; Q94-D98 PolarHBondContact NE2-OD1 2.79Å; Q94-D98 PolarHBondContact O-N 2.84Å
95	A	97.8	Very high	97.3	Very high	18 Å²	18	61.8 Å²	61.8	15%	0.149	28%	0.284	C	S	.	.	H	α-helix	trans	-57.1	-42.1	176.1	0	0	0	0	0	112.4	F46 Y91 D98 R99	F46-A95 HydrophobicContact CB-CB 3.65Å; F46-A95 HydrophobicContact CD1-CB 3.82Å; F46-A95 HydrophobicContact CD2-CB 4.09Å; F46-A95 HydrophobicContact CE1-CB 4.49Å; F46-A95 HydrophobicContact CG-CB 3.58Å; Y91-A95 WeakPolarHBondContact O-CB 3.48Å; Y91-A95 PolarHBondContact O-N 3.42Å; A95-D98 PolarHBondContact O-N 2.95Å; A95-R99 WeakPolarHBondContact O-CB 3.41Å; A95-R99 PolarHBondContact O-N 3.47Å
96	Q	97.1	Very high	97.2	Very high	108 Å²	108	59.7 Å²	59.7	51%	0.505	27%	0.268	S	S	.	.	H	α-helix	trans	-68	-38.3	175	-66.7	-58.2	-35.1	0	0	112.5	K92 R93 Q94 V100	K92-Q96 WeakPolarHBondContact O-CG 3.45Å; K92-Q96 PolarHBondContact O-N 3.39Å; R93-Q96 PolarHBondContact O-N 3.45Å; Q94-Q96 VanDerWaalsContact C-N 3.3Å; Q94-Q96 PolarHBondContact O-N 3.36Å; Q96-V100 WeakPolarHBondContact O-CG2 3.45Å; Q96-V100 PolarHBondContact O-N 2.96Å
97	A	97.1	Very high	97.1	Very high	39 Å²	39	56.8 Å²	56.8	32%	0.322	27%	0.271	S	S	.	.	H	α-helix	trans	-63.7	-44.8	175.2	0	0	0	0	0	111.3	R93 Q94 R99 V100 N101	R93-A97 PolarHBondContact O-N 3.39Å; Q94-A97 WeakPolarHBondContact O-CB 3.1Å; Q94-A97 PolarHBondContact O-N 2.95Å; A97-R99 PolarHBondContact O-N 3.28Å; A97-V100 PolarHBondContact O-N 3.13Å; A97-V100 VanDerWaalsContact O-N 3.11Å; A97-N101 PolarHBondContact O-N 2.89Å; A97-N101 PolarHBondContact O-ND2 2.85Å
98	D	97.7	Very high	97.2	Very high	1 Å²	1	58.9 Å²	58.9	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-67.1	-37	-179.1	-71.3	-8.3	0	0	0	111.8	S35 F46 Q94 A95 V100 N101 L102 L119	S35-D98 VanDerWaalsContact OG-CB 3.23Å; S35-D98 WeakPolarHBondContact OG-CB 3.42Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.35Å; Q94-D98 PolarHBondContact NE2-OD1 2.79Å; Q94-D98 PolarHBondContact O-N 2.84Å; A95-D98 PolarHBondContact O-N 2.95Å; D98-V100 VanDerWaalsContact C-N 3.3Å; D98-V100 PolarHBondContact O-N 3.02Å; D98-N101 PolarHBondContact O-N 3.23Å; D98-N101 VanDerWaalsContact O-N 3.17Å; D98-L102 WeakPolarHBondContact O-CB 3.46Å; D98-L102 WeakPolarHBondContact O-CG 3.39Å; D98-L102 PolarHBondContact O-N 2.96Å; D98-L119 HydrophobicContact CB-CD2 4.08Å
99	R	96.1	Very high	97.2	Very high	68 Å²	68	61.5 Å²	61.5	26%	0.257	29%	0.288	S	S	.	.	H	α-helix	trans	-55	-45	169.1	176.7	-170.5	-178.7	-160.7	-0.2	112.3	E43 P44 A95 A97	E43-R99 VanDerWaalsContact CD-NH2 3.28Å; E43-R99 IonicContact OE1-CZ 3.69Å; E43-R99 IonicContact OE1-NE 3.52Å; E43-R99 PolarHBondContact OE1-NE 3.33Å; E43-R99 IonicContact OE1-NH1 3.47Å; E43-R99 IonicContact OE1-NH2 3.54Å; E43-R99 PolarHBondContact OE1-NH2 3.03Å; E43-R99 VanDerWaalsContact OE2-CD 3.25Å; E43-R99 WeakPolarHBondContact OE2-CD 3.44Å; E43-R99 IonicContact OE2-CZ 3.12Å; E43-R99 IonicContact OE2-NE 3.93Å; E43-R99 PolarHBondContact OE2-NE 3.37Å; E43-R99 IonicContact OE2-NH2 3.11Å; E43-R99 PolarHBondContact OE2-NH2 3.26Å; P44-R99 HydrophobicContact CG-CB 4.38Å; P44-R99 HydrophobicContact CG-CG 4.25Å; A95-R99 WeakPolarHBondContact O-CB 3.41Å; A95-R99 PolarHBondContact O-N 3.47Å; A97-R99 PolarHBondContact O-N 3.28Å
100	V	96.4	Very high	97.1	Very high	58 Å²	58	63.9 Å²	63.9	35%	0.352	30%	0.304	S	S	.	.	H	α-helix	trans	-70	-39.7	177.2	173.8	0	0	0	0	110.9	Q96 A97 D98 R103 K104	Q96-V100 WeakPolarHBondContact O-CG2 3.45Å; Q96-V100 PolarHBondContact O-N 2.96Å; A97-V100 PolarHBondContact O-N 3.13Å; A97-V100 VanDerWaalsContact O-N 3.11Å; D98-V100 VanDerWaalsContact C-N 3.3Å; D98-V100 PolarHBondContact O-N 3.02Å; V100-R103 PolarHBondContact O-N 2.75Å; V100-K104 HydrophobicContact CG1-CD 4.3Å; V100-K104 WeakPolarHBondContact O-CG 3.23Å; V100-K104 PolarHBondContact O-N 3.04Å; V100-K104 VanDerWaalsContact O-N 3.13Å
101	N	97.4	Very high	97	Very high	48 Å²	48	63.2 Å²	63.2	26%	0.257	30%	0.302	S	S	.	.	H	α-helix	trans	-65.1	-42.6	179.6	-68.5	-27.3	0	0	0	111.8	A97 D98 R103 K104 L105 L119	A97-N101 PolarHBondContact O-N 2.89Å; A97-N101 PolarHBondContact O-ND2 2.85Å; D98-N101 PolarHBondContact O-N 3.23Å; D98-N101 VanDerWaalsContact O-N 3.17Å; N101-R103 VanDerWaalsContact C-N 3.31Å; N101-R103 PolarHBondContact O-N 3.27Å; N101-K104 WeakPolarHBondContact O-CB 3.37Å; N101-K104 PolarHBondContact O-N 3.32Å; N101-K104 VanDerWaalsContact O-N 3.08Å; N101-L105 WeakPolarHBondContact O-CB 3.48Å; N101-L105 VanDerWaalsContact O-CG 3.28Å; N101-L105 WeakPolarHBondContact O-CG 3.29Å; N101-L105 PolarHBondContact O-N 2.91Å; N101-L119 HydrophobicContact CB-CD2 3.75Å
102	L	97.1	Very high	96.7	Very high	8 Å²	8	66 Å²	66	4%	0.042	32%	0.324	C	S	.	.	H	α-helix	trans	-55.8	-43.8	175	-78.2	168.2	0	0	0	112	P44 D98 K104 L105 R106 H117 L119 Y142	P44-L102 HydrophobicContact CB-CD1 3.67Å; P44-L102 HydrophobicContact CG-CD1 3.84Å; D98-L102 WeakPolarHBondContact O-CB 3.46Å; D98-L102 WeakPolarHBondContact O-CG 3.39Å; D98-L102 PolarHBondContact O-N 2.96Å; L102-K104 PolarHBondContact O-N 3.34Å; L102-L105 PolarHBondContact O-N 3.34Å; L102-R106 WeakPolarHBondContact O-CB 3.31Å; L102-R106 PolarHBondContact O-N 3.49Å; L102-H117 HydrophobicContact CD2-CB 4.2Å; L102-L119 HydrophobicContact CD2-CB 3.66Å; L102-L119 HydrophobicContact CG-CB 4.09Å; L102-Y142 HydrophobicContact CD2-CE2 4.01Å
103	R	94.9	Very high	96.2	Very high	125 Å²	125	68.2 Å²	68.2	47%	0.472	34%	0.335	S	S	.	.	H	α-helix	trans	-65.2	-39.3	175.7	-63.8	-173.6	-140.9	145.6	-1.3	112.8	V100 N101 G107	V100-R103 PolarHBondContact O-N 2.75Å; N101-R103 VanDerWaalsContact C-N 3.31Å; N101-R103 PolarHBondContact O-N 3.27Å; R103-G107 PolarHBondContact O-N 3.31Å
104	K	96.3	Very high	95.7	Very high	101 Å²	101	67.4 Å²	67.4	44%	0.439	34%	0.343	S	S	.	.	H	α-helix	trans	-66	-47.2	177.2	-73.3	174.6	179.5	169.9	0	111.3	V100 N101 L102 G107 Y108	V100-K104 HydrophobicContact CG1-CD 4.3Å; V100-K104 WeakPolarHBondContact O-CG 3.23Å; V100-K104 PolarHBondContact O-N 3.04Å; V100-K104 VanDerWaalsContact O-N 3.13Å; N101-K104 WeakPolarHBondContact O-CB 3.37Å; N101-K104 PolarHBondContact O-N 3.32Å; N101-K104 VanDerWaalsContact O-N 3.08Å; L102-K104 PolarHBondContact O-N 3.34Å; K104-G107 CarbonylContact O-C 3.56Å; K104-G107 WeakPolarHBondContact O-CA 3.38Å; K104-G107 PolarHBondContact O-N 2.92Å; K104-G107 VanDerWaalsContact O-N 3.11Å; K104-Y108 WeakPolarHBondContact O-CD1 3.44Å; K104-Y108 PolarHBondContact O-N 3.48Å
105	L	97.6	Very high	95.4	Very high	8 Å²	8	66.3 Å²	66.3	4%	0.042	34%	0.343	C	S	.	.	H	α-helix	trans	-59.9	-48.2	179.4	-71.9	170.9	0	0	0	110.8	N101 L102 G107 Y108 Y109 L119 Y142 Y147	N101-L105 WeakPolarHBondContact O-CB 3.48Å; N101-L105 VanDerWaalsContact O-CG 3.28Å; N101-L105 WeakPolarHBondContact O-CG 3.29Å; N101-L105 PolarHBondContact O-N 2.91Å; L102-L105 PolarHBondContact O-N 3.34Å; L105-G107 PolarHBondContact O-N 3.48Å; L105-Y108 HydrophobicContact CD2-CD2 4.41Å; L105-Y108 PolarHBondContact O-N 2.93Å; L105-Y109 HydrophobicContact CD2-CE2 4.34Å; L105-Y109 VanDerWaalsContact O-CD2 3.25Å; L105-Y109 WeakPolarHBondContact O-CD2 3.44Å; L105-Y109 PolarHBondContact O-N 3.28Å; L105-L119 HydrophobicContact CD1-CD1 3.82Å; L105-L119 HydrophobicContact CD1-CD2 4.35Å; L105-Y142 HydrophobicContact CB-CD1 4.48Å; L105-Y142 HydrophobicContact CB-CD2 4.13Å; L105-Y142 HydrophobicContact CB-CE1 4.12Å; L105-Y142 HydrophobicContact CB-CE2 3.72Å; L105-Y142 HydrophobicContact CB-CG 4.46Å; L105-Y142 HydrophobicContact CD1-CD2 3.52Å; L105-Y142 HydrophobicContact CD1-CE2 3.86Å; L105-Y142 HydrophobicContact CD1-CG 4.01Å; L105-Y142 HydrophobicContact CG-CD2 4.37Å; L105-Y142 HydrophobicContact CG-CE2 4.41Å; L105-Y147 HydrophobicContact CD2-CD1 4.44Å; L105-Y147 HydrophobicContact CD2-CD2 4.12Å; L105-Y147 HydrophobicContact CD2-CE1 3.84Å; L105-Y147 HydrophobicContact CD2-CE2 3.44Å; L105-Y147 VanDerWaalsContact CD2-CE2 3.44Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.44Å
106	R	95.9	Very high	95.2	Very high	63 Å²	63	68.5 Å²	68.5	24%	0.238	36%	0.357	C	S	.	.	H	α-helix	trans	-51.4	-43.9	172.6	-171.1	-172.7	67.5	178.8	9.7	112.3	L102 N110 Q111 S112 E113 Y142	L102-R106 WeakPolarHBondContact O-CB 3.31Å; L102-R106 PolarHBondContact O-N 3.49Å; R106-N110 PolarHBondContact O-N 3.46Å; R106-N110 VanDerWaalsContact O-N 3.12Å; R106-Q111 HydrophobicContact CG-CB 3.76Å; R106-Q111 PolarHBondContact O-N 2.94Å; R106-S112 WeakPolarHBondContact CD-O 3.44Å; R106-E113 IonicContact CZ-OE1 2.88Å; R106-E113 IonicContact NH1-OE1 2.73Å; R106-E113 IonicContact NH2-OE1 2.87Å; R106-E113 PolarHBondContact NH2-OE1 3.39Å; R106-Y142 PolarHBondContact N-OH 3.39Å
107	G	96.2	Very high	95.3	Very high	43 Å²	43	64 Å²	64	44%	0.443	34%	0.336	S	S	.	.	H	α-helix	trans	-66.1	-43.4	175.6	0	0	0	0	0	113.7	R103 K104 L105 Y109 N110	R103-G107 PolarHBondContact O-N 3.31Å; K104-G107 CarbonylContact O-C 3.56Å; K104-G107 WeakPolarHBondContact O-CA 3.38Å; K104-G107 PolarHBondContact O-N 2.92Å; K104-G107 VanDerWaalsContact O-N 3.11Å; L105-G107 PolarHBondContact O-N 3.48Å; G107-Y109 VanDerWaalsContact C-N 3.26Å; G107-Y109 PolarHBondContact O-N 2.87Å; G107-N110 PolarHBondContact O-N 3.41Å; G107-N110 PolarHBondContact O-OD1 3.37Å
108	Y	97.7	Very high	95.3	Very high	56 Å²	56	63.9 Å²	63.9	22%	0.22	33%	0.332	C	S	.	.	H	α-helix	trans	-62.4	-34.9	178.1	-64.2	-14.3	0	0	0	112.6	K104 L105 I166 K170	K104-Y108 WeakPolarHBondContact O-CD1 3.44Å; K104-Y108 PolarHBondContact O-N 3.48Å; L105-Y108 HydrophobicContact CD2-CD2 4.41Å; L105-Y108 PolarHBondContact O-N 2.93Å; Y108-I166 HydrophobicContact CD1-CD1 4.21Å; Y108-I166 HydrophobicContact CE1-CG2 4.14Å; Y108-I166 HydrophobicContact CE2-CB 4.29Å; Y108-I166 HydrophobicContact CE2-CG2 4.13Å; Y108-I166 HydrophobicContact CG-CD1 4.24Å; Y108-K170 PolarHBondContact OH-NZ 3.35Å
109	Y	97.5	Very high	95.4	Very high	68 Å²	68	64 Å²	64	27%	0.267	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92	3.8	178.4	-69.4	-71	0	0	0	114.1	L105 G107 Q111 Y142 Y147 D161 A163	L105-Y109 HydrophobicContact CD2-CE2 4.34Å; L105-Y109 VanDerWaalsContact O-CD2 3.25Å; L105-Y109 WeakPolarHBondContact O-CD2 3.44Å; L105-Y109 PolarHBondContact O-N 3.28Å; G107-Y109 VanDerWaalsContact C-N 3.26Å; G107-Y109 PolarHBondContact O-N 2.87Å; Y109-Q111 PolarHBondContact O-N 2.94Å; Y109-Y142 AromaticContact CD2-CD1 3.78Å; Y109-Y142 HydrophobicContact CD2-CD1 3.78Å; Y109-Y142 AromaticContact CD2-CE1 3.52Å; Y109-Y142 HydrophobicContact CD2-CE1 3.52Å; Y109-Y142 AromaticContact CE2-CD1 3.54Å; Y109-Y142 HydrophobicContact CE2-CD1 3.54Å; Y109-Y142 AromaticContact CE2-CE1 3.81Å; Y109-Y142 HydrophobicContact CE2-CE1 3.81Å; Y109-Y142 HydrophobicContact CG-CE1 4.43Å; Y109-Y147 HydrophobicContact CE2-CD2 4.39Å; Y109-Y147 HydrophobicContact CE2-CE2 4.11Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.35Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.33Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.39Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.32Å; Y109-D161 VanDerWaalsContact OH-CG 3.25Å; Y109-D161 PolarHBondContact OH-OD1 2.87Å; Y109-D161 PolarHBondContact OH-OD2 3.5Å; Y109-A163 HydrophobicContact CD1-CB 4.15Å; Y109-A163 HydrophobicContact CD2-CB 4.44Å; Y109-A163 HydrophobicContact CE1-CB 3.59Å; Y109-A163 HydrophobicContact CE2-CB 3.92Å; Y109-A163 VanDerWaalsContact CZ-CB 3.46Å
110	N	96.3	Very high	95.5	Very high	150 Å²	150	64.5 Å²	64.5	80%	0.802	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	39.5	-177	-56.9	-54.3	0	0	0	113.4	R106 G107	R106-N110 PolarHBondContact O-N 3.46Å; R106-N110 VanDerWaalsContact O-N 3.12Å; G107-N110 PolarHBondContact O-N 3.41Å; G107-N110 PolarHBondContact O-OD1 3.37Å
111	Q	95.9	Very high	95.6	Very high	60 Å²	60	62.5 Å²	62.5	28%	0.28	32%	0.324	S	S	.	.			trans	-84.2	153.1	-177.8	-70	168.7	-36.2	0	0	111.6	R106 Y109 H117 Y142 D143	R106-Q111 HydrophobicContact CG-CB 3.76Å; R106-Q111 PolarHBondContact O-N 2.94Å; Y109-Q111 PolarHBondContact O-N 2.94Å; Q111-H117 PolarHBondContact NE2-CE1 2.9Å; Q111-H117 PolarHBondContact OE1-CE1 3.47Å; Q111-H117 PolarHBondContact OE1-ND1 2.85Å; Q111-Y142 PolarHBondContact OE1-OH 2.83Å; Q111-D143 PolarHBondContact NE2-OD2 2.99Å
112	S	92.6	Very high	95.7	Very high	77 Å²	77	61.2 Å²	61.2	54%	0.538	32%	0.317	S	S	.	.			trans	-69.4	156.9	179.7	64.3	0	0	0	0	112.5	R106 D114	R106-S112 WeakPolarHBondContact CD-O 3.44Å; S112-D114 VanDerWaalsContact C-N 3.29Å; S112-D114 PolarHBondContact O-N 3.31Å
113	E	87.4	Confident	95.7	Very high	128 Å²	128	62.3 Å²	62.3	60%	0.598	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-23.2	178.9	-58.4	-151.6	126.3	0	0	113.6	P39 R106 G115	P39-E113 WeakPolarHBondContact CB-O 3.45Å; P39-E113 WeakPolarHBondContact CG-O 3.47Å; R106-E113 IonicContact CZ-OE1 2.88Å; R106-E113 IonicContact NH1-OE1 2.73Å; R106-E113 IonicContact NH2-OE1 2.87Å; R106-E113 PolarHBondContact NH2-OE1 3.39Å; E113-G115 VanDerWaalsContact C-N 3.27Å; E113-G115 PolarHBondContact O-N 2.89Å
114	D	87.4	Confident	95.9	Very high	146 Å²	146	56.4 Å²	56.4	78%	0.781	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-6.2	-178.5	-56.3	-41.4	0	0	0	113	S112	S112-D114 VanDerWaalsContact C-N 3.29Å; S112-D114 PolarHBondContact O-N 3.31Å
115	G	90.1	Very high	96	Very high	19 Å²	19	51.6 Å²	51.6	20%	0.196	28%	0.278	C	S	.	.			trans	-75.7	133.3	176.9	0	0	0	0	0	113.3	P39 E113 H117	P39-G115 WeakPolarHBondContact CG-O 3.46Å; E113-G115 VanDerWaalsContact C-N 3.27Å; E113-G115 PolarHBondContact O-N 2.89Å; G115-H117 PolarHBondContact O-CD2 3.34Å; G115-H117 VanDerWaalsContact O-CD2 3.3Å
116	S	95.3	Very high	96	Very high	64 Å²	64	52.6 Å²	52.6	45%	0.448	28%	0.283	S	S	.	.			trans	-80.6	134.5	164.1	-178.3	0	0	0	0	109.3	S37	S37-S116 WeakPolarHBondContact O-CA 3.45Å; S37-S116 VanDerWaalsContact O-CB 3.32Å; S37-S116 WeakPolarHBondContact O-CB 3.4Å; S37-S116 PolarHBondContact O-OG 3.39Å
117	H	97.4	Very high	96.1	Very high	13 Å²	13	49.7 Å²	49.7	6%	0.06	27%	0.272	C	S	.	.			trans	-132.5	150.2	-177	-64.3	-69.5	0	0	0	110.6	V36 S37 L102 Q111 G115 Y142 D143	V36-H117 WeakPolarHBondContact CA-O 3.15Å; S37-H117 PolarHBondContact N-O 3.3Å; S37-H117 PolarHBondContact OG-N 2.93Å; S37-H117 PolarHBondContact OG-O 2.86Å; L102-H117 HydrophobicContact CD2-CB 4.2Å; Q111-H117 PolarHBondContact NE2-CE1 2.9Å; Q111-H117 PolarHBondContact OE1-CE1 3.47Å; Q111-H117 PolarHBondContact OE1-ND1 2.85Å; G115-H117 PolarHBondContact O-CD2 3.34Å; G115-H117 VanDerWaalsContact O-CD2 3.3Å; H117-Y142 HydrophobicContact CB-CE2 3.84Å; H117-Y142 AromaticContact CG-CZ 3.98Å; H117-Y142 VanDerWaalsContact CG-OH 3.23Å; H117-Y142 AromaticContact ND1-CZ 3.92Å; H117-Y142 PolarHBondContact ND1-OH 2.61Å; H117-D143 WeakPolarHBondContact CA-OD1 3.44Å; H117-D143 WeakPolarHBondContact CB-OD1 3.29Å; H117-D143 IonicContact CE1-OD2 2.72Å; H117-D143 IonicContact CG-OD1 2.72Å; H117-D143 IonicContact CG-OD2 2.69Å; H117-D143 IonicContact ND1-OD1 3.49Å; H117-D143 IonicContact ND1-OD2 3.74Å; H117-D143 PolarHBondContact ND1-OD2 3.08Å
118	T	98.4	Very high	95.9	Very high	38 Å²	38	47.8 Å²	47.8	23%	0.233	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	127.5	-176.9	-58.7	0	0	0	0	110.5	T34 S35 V36 Q120 Y142 D143	T34-T118 HydrophobicContact CG2-CG2 3.88Å; S35-T118 CarbonylContact O-C 3.53Å; S35-T118 WeakPolarHBondContact O-CA 3.46Å; V36-T118 HydrophobicContact CG2-CG2 4.3Å; T118-Q120 HydrophobicContact CG2-CG 3.96Å; T118-Y142 CarbonylContact O-C 3.59Å; T118-Y142 WeakPolarHBondContact O-CA 3.37Å; T118-Y142 VanDerWaalsContact O-CD2 3.3Å; T118-Y142 WeakPolarHBondContact O-CD2 3.36Å; T118-D143 PolarHBondContact N-OD1 3.01Å; T118-D143 PolarHBondContact O-N 3.44Å
119	L	98.7	Very high	95.5	Very high	3 Å²	3	49.7 Å²	49.7	2%	0.016	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	122.9	170.2	177	61.7	0	0	0	108.6	T34 S35 D98 N101 L102 L105 F140	T34-L119 WeakPolarHBondContact CA-O 3.37Å; S35-L119 PolarHBondContact N-O 3.39Å; S35-L119 PolarHBondContact O-N 3.42Å; D98-L119 HydrophobicContact CB-CD2 4.08Å; N101-L119 HydrophobicContact CB-CD2 3.75Å; L102-L119 HydrophobicContact CD2-CB 3.66Å; L102-L119 HydrophobicContact CG-CB 4.09Å; L105-L119 HydrophobicContact CD1-CD1 3.82Å; L105-L119 HydrophobicContact CD1-CD2 4.35Å; L119-F140 HydrophobicContact CD1-CD1 4.19Å
120	Q	98.8	Very high	95.1	Very high	78 Å²	78	51.1 Å²	51.1	36%	0.364	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	146	177	-69.3	169.1	-79	0	0	109.9	S33 T34 T118 F140 A141	S33-Q120 CarbonylContact O-C 3.54Å; S33-Q120 VanDerWaalsContact O-CA 3.3Å; S33-Q120 WeakPolarHBondContact O-CA 3.45Å; T34-Q120 HydrophobicContact CG2-CG 3.99Å; T118-Q120 HydrophobicContact CG2-CG 3.96Å; Q120-F140 CarbonylContact O-C 3.55Å; Q120-F140 VanDerWaalsContact O-CA 3.23Å; Q120-F140 WeakPolarHBondContact O-CA 3.24Å; Q120-A141 HydrophobicContact CB-CB 4.31Å; Q120-A141 PolarHBondContact N-O 2.95Å; Q120-A141 PolarHBondContact O-N 3.09Å
121	R	98.6	Very high	94.8	Very high	16 Å²	16	44.8 Å²	44.8	6%	0.06	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	135.3	172.8	-174	-171.6	-179.3	-138.3	-16.6	109.5	F32 S33 F123 N138 Q139 F140	F32-R121 WeakPolarHBondContact CA-O 3.36Å; S33-R121 PolarHBondContact N-O 3.11Å; S33-R121 PolarHBondContact O-N 2.65Å; R121-F123 HydrophobicContact CG-CD1 4.3Å; R121-F123 VanDerWaalsContact NH1-CE1 3.35Å; R121-N138 PolarHBondContact NE-OD1 3.31Å; R121-N138 PolarHBondContact NH2-OD1 3.41Å; R121-Q139 WeakPolarHBondContact CA-O 3.29Å; R121-F140 HydrophobicContact CB-CD1 3.82Å; R121-F140 HydrophobicContact CB-CE1 3.79Å; R121-F140 HydrophobicContact CB-CG 4.45Å; R121-F140 HydrophobicContact CB-CZ 4.37Å; R121-F140 VanDerWaalsContact CD-CE1 3.42Å; R121-F140 HydrophobicContact CG-CD1 3.86Å; R121-F140 HydrophobicContact CG-CD2 4.29Å; R121-F140 HydrophobicContact CG-CE1 3.53Å; R121-F140 HydrophobicContact CG-CE2 3.96Å; R121-F140 HydrophobicContact CG-CG 4.25Å; R121-F140 HydrophobicContact CG-CZ 3.6Å; R121-F140 VanDerWaalsContact NE-CZ 3.28Å
122	M	98.6	Very high	94.7	Very high	22 Å²	22	50 Å²	50	11%	0.108	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	131.9	166	-176.8	-79.8	-78.9	0	0	108.8	Y31 F32 Y137 N138 Q139	Y31-M122 WeakPolarHBondContact O-CA 3.35Å; F32-M122 HydrophobicContact CD1-CB 3.93Å; F32-M122 HydrophobicContact CD1-CG 3.66Å; F32-M122 HydrophobicContact CE1-CB 4.06Å; F32-M122 HydrophobicContact CE1-CG 3.37Å; F32-M122 HydrophobicContact CG-CG 4.49Å; F32-M122 HydrophobicContact CZ-CG 3.99Å; M122-Y137 HydrophobicContact CE-CD1 4.02Å; M122-Y137 HydrophobicContact CE-CG 4.15Å; M122-Y137 HydrophobicContact SD-CG 4.39Å; M122-N138 WeakPolarHBondContact O-CA 3.33Å; M122-Q139 HydrophobicContact CB-CG 4.07Å; M122-Q139 VanDerWaalsContact CE-CD 3.47Å; M122-Q139 HydrophobicContact CE-CG 4Å; M122-Q139 VanDerWaalsContact CE-OE1 3.31Å; M122-Q139 PolarHBondContact N-O 2.94Å; M122-Q139 PolarHBondContact O-N 2.93Å
123	F	98.6	Very high	94.9	Very high	31 Å²	31	48.7 Å²	48.7	14%	0.136	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	154.5	171.9	70.1	-82.2	0	0	0	110.9	Y31 R121 Y137 N138 Y183	Y31-F123 VanDerWaalsContact CB-CE1 3.47Å; Y31-F123 VanDerWaalsContact CB-CZ 3.48Å; Y31-F123 HydrophobicContact CD2-CD2 4.44Å; Y31-F123 AromaticContact CD2-CE2 3.75Å; Y31-F123 HydrophobicContact CD2-CE2 3.75Å; Y31-F123 AromaticContact CD2-CZ 3.88Å; Y31-F123 HydrophobicContact CD2-CZ 3.88Å; Y31-F123 HydrophobicContact CG-CE1 4.26Å; Y31-F123 HydrophobicContact CG-CE2 4.12Å; Y31-F123 AromaticContact CG-CZ 3.76Å; Y31-F123 HydrophobicContact CG-CZ 3.76Å; Y31-F123 PolarHBondContact N-O 3.01Å; Y31-F123 PolarHBondContact O-N 3.25Å; R121-F123 HydrophobicContact CG-CD1 4.3Å; R121-F123 VanDerWaalsContact NH1-CE1 3.35Å; F123-Y137 WeakPolarHBondContact CA-O 3.33Å; F123-Y137 VanDerWaalsContact CB-O 3.3Å; F123-Y137 WeakPolarHBondContact CB-O 3.41Å; F123-N138 HydrophobicContact CB-CB 4.19Å; F123-Y183 AromaticContact CD2-CE1 3.85Å; F123-Y183 HydrophobicContact CD2-CE1 3.85Å; F123-Y183 AromaticContact CE2-CE1 3.82Å; F123-Y183 HydrophobicContact CE2-CE1 3.82Å
124	G	98.5	Very high	95.3	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	164.1	-178.1	-175	0	0	0	0	0	113.6	M29 Y137 L184	M29-G124 CarbonylContact O-C 3.57Å; M29-G124 WeakPolarHBondContact O-CA 3.36Å; G124-Y137 PolarHBondContact N-O 3.33Å; G124-Y137 VanDerWaalsContact N-O 3.09Å; G124-Y137 PolarHBondContact O-N 3.08Å; G124-L184 WeakPolarHBondContact O-CD2 3.3Å
125	C	98.4	Very high	95.7	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	149.8	-178.1	53.3	0	0	0	0	111	S28 M29 L133 R135 C188	S28-C125 WeakPolarHBondContact CA-O 3.4Å; M29-C125 PolarHBondContact N-O 2.64Å; M29-C125 PolarHBondContact O-N 2.82Å; C125-L133 HydrophobicContact CB-CD1 3.56Å; C125-R135 CarbonylContact C-O 3.57Å; C125-R135 WeakPolarHBondContact CA-O 3.34Å; C125-C188 HydrophobicContact CB-CB 3.91Å; C125-C188 WeakPolarHBondContact CB-SG 3.2Å; C125-C188 PolarHBondContact N-SG 2.92Å; C125-C188 WeakPolarHBondContact SG-CB 3.39Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.42Å
126	D	98	Very high	96.1	Very high	29 Å²	29	45.2 Å²	45.2	16%	0.155	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	135	173.7	-60.9	-2.9	0	0	0	108.8	H27 S28 R30 L134 R135 Y137	H27-D126 CarbonylContact O-C 3.56Å; H27-D126 WeakPolarHBondContact O-CA 3.03Å; S28-D126 WeakPolarHBondContact CB-OD1 3.4Å; R30-D126 IonicContact CZ-OD1 3.46Å; R30-D126 VanDerWaalsContact CZ-OD1 3.29Å; R30-D126 IonicContact NE-OD1 3.18Å; R30-D126 PolarHBondContact NE-OD1 2.75Å; R30-D126 IonicContact NH2-OD1 3.41Å; R30-D126 PolarHBondContact NH2-OD1 2.7Å; R30-D126 IonicContact NH2-OD2 2.78Å; R30-D126 PolarHBondContact NH2-OD2 3.3Å; D126-L134 HydrophobicContact CB-CB 4.48Å; D126-L134 PolarHBondContact O-N 3.21Å; D126-R135 HydrophobicContact CB-CB 4.45Å; D126-R135 PolarHBondContact N-O 3.22Å; D126-R135 PolarHBondContact O-N 3.25Å; D126-Y137 VanDerWaalsContact OD2-CE2 3.29Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.35Å; D126-Y137 PolarHBondContact OD2-OH 3.03Å
127	L	96.9	Very high	96.2	Very high	3 Å²	3	44 Å²	44	2%	0.016	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	141.3	175.3	-55.2	-176.2	0	0	0	110.1	S26 H27 R132 V189 L192 R193	S26-L127 VanDerWaalsContact CA-O 3.29Å; S26-L127 WeakPolarHBondContact CA-O 3.36Å; S26-L127 WeakPolarHBondContact CB-O 3.5Å; H27-L127 PolarHBondContact N-O 3.39Å; H27-L127 PolarHBondContact O-N 3.02Å; L127-R132 CarbonylContact C-O 3.59Å; L127-R132 VanDerWaalsContact CA-O 3.24Å; L127-R132 WeakPolarHBondContact CA-O 3.12Å; L127-V189 HydrophobicContact CD1-CG1 4.34Å; L127-V189 HydrophobicContact CD2-CB 4.18Å; L127-V189 HydrophobicContact CD2-CG1 3.77Å; L127-V189 HydrophobicContact CD2-CG2 3.87Å; L127-L192 HydrophobicContact CB-CD2 4.45Å; L127-L192 HydrophobicContact CD1-CB 4.19Å; L127-L192 HydrophobicContact CD1-CD2 3.66Å; L127-L192 HydrophobicContact CD1-CG 3.74Å; L127-L192 HydrophobicContact CG-CD2 3.57Å; L127-L192 HydrophobicContact CG-CG 4.24Å; L127-R193 HydrophobicContact CD1-CG 3.96Å
128	G	93.4	Very high	96.3	Very high	3 Å²	3	43.4 Å²	43.4	3%	0.031	22%	0.216	C	C	.	.			trans	-79.5	177.4	170.6	0	0	0	0	0	111.5	D130 G131 R132 L134	G128-D130 PolarHBondContact O-N 3.22Å; G128-D130 VanDerWaalsContact O-N 3.13Å; G128-G131 WeakPolarHBondContact O-CA 3.33Å; G128-G131 PolarHBondContact O-N 2.96Å; G128-R132 PolarHBondContact N-O 3.46Å; G128-L134 VanDerWaalsContact N-CG 3.33Å
129	P	89.3	Confident	96.3	Very high	96 Å²	96	44.9 Å²	44.9	62%	0.623	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-24.4	177.2	-24.7	35	0	0	0	114.2	A24 G25 G131	A24-P129 WeakPolarHBondContact O-CG 3.21Å; G25-P129 VanDerWaalsContact O-CA 3.28Å; G25-P129 WeakPolarHBondContact O-CA 3.32Å; P129-G131 PolarHBondContact O-N 2.86Å
130	D	89.2	Confident	96.3	Very high	97 Å²	97	45.5 Å²	45.5	52%	0.519	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	3.1	174	71.3	-13.2	0	0	0	113.5	G128 R132	G128-D130 PolarHBondContact O-N 3.22Å; G128-D130 VanDerWaalsContact O-N 3.13Å; D130-R132 PolarHBondContact O-N 2.98Å; D130-R132 WeakPolarHBondContact OD1-CB 3.38Å; D130-R132 PolarHBondContact OD1-N 3.22Å; D130-R132 WeakPolarHBondContact OD2-CD 3.24Å; D130-R132 VanDerWaalsContact OD2-CG 3.32Å; D130-R132 WeakPolarHBondContact OD2-CG 3.32Å; D130-R132 IonicContact OD2-CZ 2.72Å; D130-R132 IonicContact OD2-NE 3.95Å; D130-R132 IonicContact OD2-NH1 3.91Å
131	G	89	Confident	96.3	Very high	18 Å²	18	42.5 Å²	42.5	19%	0.186	21%	0.212	C	C	.	.	S	Bend	trans	71.3	9.6	-177.8	0	0	0	0	0	114.2	G128 P129 R193	G128-G131 WeakPolarHBondContact O-CA 3.33Å; G128-G131 PolarHBondContact O-N 2.96Å; P129-G131 PolarHBondContact O-N 2.86Å; G131-R193 VanDerWaalsContact O-CZ 3.29Å; G131-R193 PolarHBondContact O-NE 3.12Å; G131-R193 PolarHBondContact O-NH2 3.11Å
132	R	93.9	Very high	96.3	Very high	169 Å²	169	42.2 Å²	42.2	64%	0.638	21%	0.211	S	C	*	.			trans	-88.3	153.3	178.5	-62	-173.8	-175.3	164.3	-2.8	111.4	L127 G128 D130 L134	L127-R132 CarbonylContact C-O 3.59Å; L127-R132 VanDerWaalsContact CA-O 3.24Å; L127-R132 WeakPolarHBondContact CA-O 3.12Å; G128-R132 PolarHBondContact N-O 3.46Å; D130-R132 PolarHBondContact O-N 2.98Å; D130-R132 WeakPolarHBondContact OD1-CB 3.38Å; D130-R132 PolarHBondContact OD1-N 3.22Å; D130-R132 WeakPolarHBondContact OD2-CD 3.24Å; D130-R132 VanDerWaalsContact OD2-CG 3.32Å; D130-R132 WeakPolarHBondContact OD2-CG 3.32Å; D130-R132 IonicContact OD2-CZ 2.72Å; D130-R132 IonicContact OD2-NE 3.95Å; D130-R132 IonicContact OD2-NH1 3.91Å; R132-L134 PolarHBondContact O-N 2.95Å; R132-L134 VanDerWaalsContact O-N 3.17Å
133	L	96.7	Very high	96.3	Very high	50 Å²	50	44 Å²	44	26%	0.262	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	118.8	175.3	-176.7	73.4	0	0	0	110	C125 R135 L154 E185 V189	C125-L133 HydrophobicContact CB-CD1 3.56Å; L133-R135 WeakPolarHBondContact CD1-O 3.36Å; L133-L154 HydrophobicContact CD2-CD1 4.25Å; L133-E185 HydrophobicContact CD2-CB 4.4Å; L133-E185 HydrophobicContact CD2-CG 3.69Å; L133-V189 HydrophobicContact CB-CG2 4.08Å; L133-V189 HydrophobicContact CD1-CG2 4.12Å
134	L	96.1	Very high	96.2	Very high	118 Å²	118	45.4 Å²	45.4	62%	0.618	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-88.3	-46.3	167.8	-69.8	177.7	0	0	0	110.7	D126 G128 R132	D126-L134 HydrophobicContact CB-CB 4.48Å; D126-L134 PolarHBondContact O-N 3.21Å; G128-L134 VanDerWaalsContact N-CG 3.33Å; R132-L134 PolarHBondContact O-N 2.95Å; R132-L134 VanDerWaalsContact O-N 3.17Å
135	R	96.6	Very high	96.2	Very high	96 Å²	96	53 Å²	53	36%	0.362	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	143.2	-173.7	-170.4	161.6	167.7	148.6	12.2	112.1	C125 D126 L133 Y137 E152	C125-R135 CarbonylContact C-O 3.57Å; C125-R135 WeakPolarHBondContact CA-O 3.34Å; D126-R135 HydrophobicContact CB-CB 4.45Å; D126-R135 PolarHBondContact N-O 3.22Å; D126-R135 PolarHBondContact O-N 3.25Å; L133-R135 WeakPolarHBondContact CD1-O 3.36Å; R135-Y137 HydrophobicContact CB-CE2 4Å; R135-Y137 VanDerWaalsContact CD-CZ 3.46Å; R135-Y137 WeakPolarHBondContact CD-OH 3.28Å; R135-Y137 HydrophobicContact CG-CD2 4.38Å; R135-Y137 HydrophobicContact CG-CE1 4.17Å; R135-Y137 HydrophobicContact CG-CE2 3.67Å; R135-Y137 VanDerWaalsContact NE-CE1 3.26Å; R135-Y137 PolarHBondContact NE-OH 3.21Å; R135-E152 VanDerWaalsContact CZ-CD 3.5Å; R135-E152 IonicContact CZ-OE1 2.72Å; R135-E152 IonicContact NH1-OE1 3.58Å; R135-E152 PolarHBondContact NH1-OE1 3.12Å; R135-E152 IonicContact NH2-OE1 3.62Å; R135-E152 PolarHBondContact NH2-OE1 2.91Å
136	G	98	Very high	96.2	Very high	5 Å²	5	58.8 Å²	58.8	5%	0.052	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	148.5	172.1	0	0	0	0	0	111.3
137	Y	98.1	Very high	96.3	Very high	38 Å²	38	57.8 Å²	57.8	15%	0.149	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	140.6	-177	-57.9	-95.2	0	0	0	110.7	R30 M122 F123 G124 D126 R135	R30-Y137 VanDerWaalsContact NH2-CZ 3.33Å; R30-Y137 PolarHBondContact NH2-OH 3.44Å; M122-Y137 HydrophobicContact CE-CD1 4.02Å; M122-Y137 HydrophobicContact CE-CG 4.15Å; M122-Y137 HydrophobicContact SD-CG 4.39Å; F123-Y137 WeakPolarHBondContact CA-O 3.33Å; F123-Y137 VanDerWaalsContact CB-O 3.3Å; F123-Y137 WeakPolarHBondContact CB-O 3.41Å; G124-Y137 PolarHBondContact N-O 3.33Å; G124-Y137 VanDerWaalsContact N-O 3.09Å; G124-Y137 PolarHBondContact O-N 3.08Å; D126-Y137 VanDerWaalsContact OD2-CE2 3.29Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.35Å; D126-Y137 PolarHBondContact OD2-OH 3.03Å; R135-Y137 HydrophobicContact CB-CE2 4Å; R135-Y137 VanDerWaalsContact CD-CZ 3.46Å; R135-Y137 WeakPolarHBondContact CD-OH 3.28Å; R135-Y137 HydrophobicContact CG-CD2 4.38Å; R135-Y137 HydrophobicContact CG-CE1 4.17Å; R135-Y137 HydrophobicContact CG-CE2 3.67Å; R135-Y137 VanDerWaalsContact NE-CE1 3.26Å; R135-Y137 PolarHBondContact NE-OH 3.21Å
138	N	98.5	Very high	96.4	Very high	2 Å²	2	57.9 Å²	57.9	1%	0.011	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	102.3	163.9	-179.1	51.6	0	0	0	109	R121 M122 F123 L150 W157	R121-N138 PolarHBondContact NE-OD1 3.31Å; R121-N138 PolarHBondContact NH2-OD1 3.41Å; M122-N138 WeakPolarHBondContact O-CA 3.33Å; F123-N138 HydrophobicContact CB-CB 4.19Å; N138-L150 HydrophobicContact CB-CB 4.07Å; N138-L150 HydrophobicContact CB-CD2 4.22Å; N138-L150 WeakPolarHBondContact O-CB 3.29Å; N138-L150 PolarHBondContact O-N 3.13Å; N138-W157 WeakPolarHBondContact ND2-CH2 3.41Å
139	Q	98.6	Very high	96.6	Very high	69 Å²	69	59.2 Å²	59.2	32%	0.322	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	149.5	-174.7	63.5	-166.7	66.2	0	0	111.4	R121 M122 I148 A149	R121-Q139 WeakPolarHBondContact CA-O 3.29Å; M122-Q139 HydrophobicContact CB-CG 4.07Å; M122-Q139 VanDerWaalsContact CE-CD 3.47Å; M122-Q139 HydrophobicContact CE-CG 4Å; M122-Q139 VanDerWaalsContact CE-OE1 3.31Å; M122-Q139 PolarHBondContact N-O 2.94Å; M122-Q139 PolarHBondContact O-N 2.93Å; Q139-I148 WeakPolarHBondContact CA-O 3.42Å; Q139-A149 HydrophobicContact CB-CB 3.9Å
140	F	98.8	Very high	97.1	Very high	15 Å²	15	55.3 Å²	55.3	7%	0.066	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	143.5	179.8	-66.6	-103.9	0	0	0	110	L119 Q120 R121 Y147 I148 W171	L119-F140 HydrophobicContact CD1-CD1 4.19Å; Q120-F140 CarbonylContact O-C 3.55Å; Q120-F140 VanDerWaalsContact O-CA 3.23Å; Q120-F140 WeakPolarHBondContact O-CA 3.24Å; R121-F140 HydrophobicContact CB-CD1 3.82Å; R121-F140 HydrophobicContact CB-CE1 3.79Å; R121-F140 HydrophobicContact CB-CG 4.45Å; R121-F140 HydrophobicContact CB-CZ 4.37Å; R121-F140 VanDerWaalsContact CD-CE1 3.42Å; R121-F140 HydrophobicContact CG-CD1 3.86Å; R121-F140 HydrophobicContact CG-CD2 4.29Å; R121-F140 HydrophobicContact CG-CE1 3.53Å; R121-F140 HydrophobicContact CG-CE2 3.96Å; R121-F140 HydrophobicContact CG-CG 4.25Å; R121-F140 HydrophobicContact CG-CZ 3.6Å; R121-F140 VanDerWaalsContact NE-CZ 3.28Å; F140-Y147 HydrophobicContact CB-CD1 4.44Å; F140-Y147 WeakPolarHBondContact O-CB 3.22Å; F140-Y147 PolarHBondContact O-N 2.95Å; F140-I148 HydrophobicContact CB-CG2 4.21Å; F140-I148 HydrophobicContact CD2-CG2 4.11Å; F140-I148 HydrophobicContact CG-CG2 4.48Å; F140-I148 PolarHBondContact N-O 3.4Å; F140-I148 PolarHBondContact O-N 2.82Å; F140-W171 AromaticContact CD2-CH2 3.79Å; F140-W171 HydrophobicContact CD2-CH2 3.79Å; F140-W171 HydrophobicContact CD2-CZ3 4.29Å; F140-W171 AromaticContact CE2-CH2 3.44Å; F140-W171 HydrophobicContact CE2-CH2 3.44Å; F140-W171 VanDerWaalsContact CE2-CH2 3.44Å; F140-W171 HydrophobicContact CE2-CZ2 4.43Å; F140-W171 HydrophobicContact CE2-CZ3 4.08Å; F140-W171 AromaticContact CZ-CH2 3.92Å; F140-W171 HydrophobicContact CZ-CH2 3.92Å
141	A	98.8	Very high	97.5	Very high	16 Å²	16	52.9 Å²	52.9	13%	0.132	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	144.9	171.1	0	0	0	0	0	110	Q120 K145	Q120-A141 HydrophobicContact CB-CB 4.31Å; Q120-A141 PolarHBondContact N-O 2.95Å; Q120-A141 PolarHBondContact O-N 3.09Å; A141-K145 CarbonylContact C-O 3.53Å; A141-K145 WeakPolarHBondContact CA-O 3.2Å; A141-K145 VanDerWaalsContact CB-O 3.24Å; A141-K145 WeakPolarHBondContact CB-O 3.32Å
142	Y	98.7	Very high	97.9	Very high	10 Å²	10	58.4 Å²	58.4	4%	0.039	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	128.7	176.9	-176.3	-116.9	0	0	0	109.8	L102 L105 R106 Y109 Q111 H117 T118 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.01Å; L105-Y142 HydrophobicContact CB-CD1 4.48Å; L105-Y142 HydrophobicContact CB-CD2 4.13Å; L105-Y142 HydrophobicContact CB-CE1 4.12Å; L105-Y142 HydrophobicContact CB-CE2 3.72Å; L105-Y142 HydrophobicContact CB-CG 4.46Å; L105-Y142 HydrophobicContact CD1-CD2 3.52Å; L105-Y142 HydrophobicContact CD1-CE2 3.86Å; L105-Y142 HydrophobicContact CD1-CG 4.01Å; L105-Y142 HydrophobicContact CG-CD2 4.37Å; L105-Y142 HydrophobicContact CG-CE2 4.41Å; R106-Y142 PolarHBondContact N-OH 3.39Å; Y109-Y142 AromaticContact CD2-CD1 3.78Å; Y109-Y142 HydrophobicContact CD2-CD1 3.78Å; Y109-Y142 AromaticContact CD2-CE1 3.52Å; Y109-Y142 HydrophobicContact CD2-CE1 3.52Å; Y109-Y142 AromaticContact CE2-CD1 3.54Å; Y109-Y142 HydrophobicContact CE2-CD1 3.54Å; Y109-Y142 AromaticContact CE2-CE1 3.81Å; Y109-Y142 HydrophobicContact CE2-CE1 3.81Å; Y109-Y142 HydrophobicContact CG-CE1 4.43Å; Q111-Y142 PolarHBondContact OE1-OH 2.83Å; H117-Y142 HydrophobicContact CB-CE2 3.84Å; H117-Y142 AromaticContact CG-CZ 3.98Å; H117-Y142 VanDerWaalsContact CG-OH 3.23Å; H117-Y142 AromaticContact ND1-CZ 3.92Å; H117-Y142 PolarHBondContact ND1-OH 2.61Å; T118-Y142 CarbonylContact O-C 3.59Å; T118-Y142 WeakPolarHBondContact O-CA 3.37Å; T118-Y142 VanDerWaalsContact O-CD2 3.3Å; T118-Y142 WeakPolarHBondContact O-CD2 3.36Å; Y142-G144 PolarHBondContact O-N 3.34Å; Y142-K145 PolarHBondContact N-O 3.17Å; Y142-K145 PolarHBondContact O-N 3.34Å
143	D	97.9	Very high	98.1	Very high	59 Å²	59	54 Å²	54	32%	0.316	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.2	41.1	-175	-65.2	-21.9	0	0	0	113	Q111 H117 T118 K145	Q111-D143 PolarHBondContact NE2-OD2 2.99Å; H117-D143 WeakPolarHBondContact CA-OD1 3.44Å; H117-D143 WeakPolarHBondContact CB-OD1 3.29Å; H117-D143 IonicContact CE1-OD2 2.72Å; H117-D143 IonicContact CG-OD1 2.72Å; H117-D143 IonicContact CG-OD2 2.69Å; H117-D143 IonicContact ND1-OD1 3.49Å; H117-D143 IonicContact ND1-OD2 3.74Å; H117-D143 PolarHBondContact ND1-OD2 3.08Å; T118-D143 PolarHBondContact N-OD1 3.01Å; T118-D143 PolarHBondContact O-N 3.44Å; D143-K145 VanDerWaalsContact C-N 3.3Å; D143-K145 PolarHBondContact O-N 2.88Å
144	G	97.3	Very high	98.1	Very high	60 Å²	60	52.1 Å²	52.1	62%	0.619	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.3	6	178	0	0	0	0	0	115.4	Y142	Y142-G144 PolarHBondContact O-N 3.34Å
145	K	98.5	Very high	98.2	Very high	161 Å²	161	54.2 Å²	54.2	70%	0.7	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.9	144.8	177.5	-61.6	-179.9	-176.5	177.5	0	111	A141 Y142 D143 Y147	A141-K145 CarbonylContact C-O 3.53Å; A141-K145 WeakPolarHBondContact CA-O 3.2Å; A141-K145 VanDerWaalsContact CB-O 3.24Å; A141-K145 WeakPolarHBondContact CB-O 3.32Å; Y142-K145 PolarHBondContact N-O 3.17Å; Y142-K145 PolarHBondContact O-N 3.34Å; D143-K145 VanDerWaalsContact C-N 3.3Å; D143-K145 PolarHBondContact O-N 2.88Å; K145-Y147 PolarHBondContact O-N 2.98Å
146	D	98.7	Very high	98.3	Very high	120 Å²	120	51.5 Å²	51.5	64%	0.642	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.6	135.2	173.5	-69.3	-34.6	0	0	0	110.7	A160	D146-A160 HydrophobicContact CB-CB 4.45Å; D146-A160 WeakPolarHBondContact O-CB 3.49Å
147	Y	98.8	Very high	98.3	Very high	9 Å²	9	51.7 Å²	51.7	4%	0.035	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	-63.1	179.9	179.4	-108	0	0	0	110.5	L105 Y109 F140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD1 4.44Å; L105-Y147 HydrophobicContact CD2-CD2 4.12Å; L105-Y147 HydrophobicContact CD2-CE1 3.84Å; L105-Y147 HydrophobicContact CD2-CE2 3.44Å; L105-Y147 VanDerWaalsContact CD2-CE2 3.44Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.44Å; Y109-Y147 HydrophobicContact CE2-CD2 4.39Å; Y109-Y147 HydrophobicContact CE2-CE2 4.11Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.35Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.33Å; F140-Y147 HydrophobicContact CB-CD1 4.44Å; F140-Y147 WeakPolarHBondContact O-CB 3.22Å; F140-Y147 PolarHBondContact O-N 2.95Å; K145-Y147 PolarHBondContact O-N 2.98Å; Y147-A160 WeakPolarHBondContact O-CB 3.38Å; Y147-A160 PolarHBondContact O-N 2.73Å; Y147-A163 HydrophobicContact CE2-CB 4.47Å; Y147-A163 PolarHBondContact OH-O 2.86Å; Y147-A164 HydrophobicContact CD2-CB 3.85Å; Y147-A164 HydrophobicContact CE1-CB 4.44Å; Y147-A164 HydrophobicContact CE2-CB 3.7Å; Y147-A164 HydrophobicContact CG-CB 4.3Å; Y147-A164 WeakPolarHBondContact O-CB 3.24Å; Y147-T167 HydrophobicContact CE1-CG2 4.21Å; Y147-T167 PolarHBondContact OH-OG1 3.03Å
148	I	98.8	Very high	98.3	Very high	4 Å²	4	53.7 Å²	53.7	2%	0.021	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	139.2	178.7	-161.7	173.2	0	0	0	110.7	Q139 F140 W157 T158 T167 Q168 W171	Q139-I148 WeakPolarHBondContact CA-O 3.42Å; F140-I148 HydrophobicContact CB-CG2 4.21Å; F140-I148 HydrophobicContact CD2-CG2 4.11Å; F140-I148 HydrophobicContact CG-CG2 4.48Å; F140-I148 PolarHBondContact N-O 3.4Å; F140-I148 PolarHBondContact O-N 2.82Å; I148-W157 HydrophobicContact CD1-CB 4.19Å; I148-W157 HydrophobicContact CD1-CD2 4.45Å; I148-W157 HydrophobicContact CD1-CE3 4.27Å; I148-W157 HydrophobicContact CD1-CG 4.44Å; I148-W157 HydrophobicContact CG1-CB 4.27Å; I148-W157 HydrophobicContact CG1-CE3 4.12Å; I148-T158 WeakPolarHBondContact CA-O 3.48Å; I148-T158 WeakPolarHBondContact CG1-O 3.48Å; I148-T167 HydrophobicContact CD1-CG2 4.06Å; I148-Q168 HydrophobicContact CD1-CB 3.92Å; I148-W171 HydrophobicContact CD1-CE3 4.05Å; I148-W171 HydrophobicContact CD1-CZ3 4.22Å; I148-W171 HydrophobicContact CG2-CE3 4.47Å; I148-W171 HydrophobicContact CG2-CH2 3.93Å; I148-W171 HydrophobicContact CG2-CZ3 3.63Å
149	A	98.8	Very high	98.3	Very high	32 Å²	32	54.7 Å²	54.7	26%	0.264	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	139.4	179.4	0	0	0	0	0	111.6	Q139 W157 T158	Q139-A149 HydrophobicContact CB-CB 3.9Å; A149-W157 CarbonylContact O-C 3.59Å; A149-W157 WeakPolarHBondContact O-CA 3.25Å; A149-T158 PolarHBondContact N-O 3.48Å; A149-T158 PolarHBondContact O-N 3.04Å
150	L	98.8	Very high	98.3	Very high	14 Å²	14	54.3 Å²	54.3	7%	0.073	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	128.4	167.7	-175.4	67.6	0	0	0	108.5	N138 L154 W157 A177 R180 L184	N138-L150 HydrophobicContact CB-CB 4.07Å; N138-L150 HydrophobicContact CB-CD2 4.22Å; N138-L150 WeakPolarHBondContact O-CB 3.29Å; N138-L150 PolarHBondContact O-N 3.13Å; L150-L154 HydrophobicContact CD2-CB 4.47Å; L150-L154 HydrophobicContact CD2-CD2 3.77Å; L150-L154 HydrophobicContact CG-CD2 4.31Å; L150-W157 HydrophobicContact CB-CE3 3.98Å; L150-W157 HydrophobicContact CB-CH2 4.16Å; L150-W157 HydrophobicContact CB-CZ3 3.68Å; L150-W157 HydrophobicContact CD1-CD2 4.13Å; L150-W157 HydrophobicContact CD1-CE3 4.26Å; L150-W157 HydrophobicContact CD1-CH2 4.08Å; L150-W157 HydrophobicContact CD1-CZ2 3.92Å; L150-W157 HydrophobicContact CD1-CZ3 4.23Å; L150-A177 HydrophobicContact CD1-CB 4.02Å; L150-R180 HydrophobicContact CD2-CB 4.04Å; L150-L184 HydrophobicContact CD2-CD1 3.94Å
151	N	98.5	Very high	98.3	Very high	45 Å²	45	56.1 Å²	56.1	24%	0.241	31%	0.312	C	S	.	.			trans	-72.1	163.8	-179.9	-67.5	-26.5	0	0	0	111.5	D153 L154 S156 T158	N151-D153 PolarHBondContact O-N 2.85Å; N151-D153 VanDerWaalsContact O-N 3.11Å; N151-L154 PolarHBondContact O-N 2.75Å; N151-S156 WeakPolarHBondContact CB-O 3.3Å; N151-S156 WeakPolarHBondContact CB-OG 3Å; N151-S156 PolarHBondContact N-O 2.81Å; N151-S156 PolarHBondContact ND2-OG 2.87Å; N151-T158 PolarHBondContact ND2-OG1 2.82Å; N151-T158 WeakPolarHBondContact OD1-CB 3.41Å; N151-T158 PolarHBondContact OD1-OG1 3.15Å
152	E	97.3	Very high	98.3	Very high	134 Å²	134	60.6 Å²	60.6	63%	0.626	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-23.2	-179.4	-66.3	179.4	-168.1	0	0	113.4	R135 L154	R135-E152 VanDerWaalsContact CZ-CD 3.5Å; R135-E152 IonicContact CZ-OE1 2.72Å; R135-E152 IonicContact NH1-OE1 3.58Å; R135-E152 PolarHBondContact NH1-OE1 3.12Å; R135-E152 IonicContact NH2-OE1 3.62Å; R135-E152 PolarHBondContact NH2-OE1 2.91Å; E152-L154 PolarHBondContact O-N 2.87Å
153	D	97.4	Very high	98.2	Very high	78 Å²	78	60.4 Å²	60.4	42%	0.417	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-8.2	174.3	70.4	3.9	0	0	0	114	N151 R155 S156	N151-D153 PolarHBondContact O-N 2.85Å; N151-D153 VanDerWaalsContact O-N 3.11Å; D153-R155 WeakPolarHBondContact O-CG 3.47Å; D153-R155 PolarHBondContact O-N 2.9Å; D153-R155 VanDerWaalsContact O-N 3.15Å; D153-R155 PolarHBondContact OD1-N 2.88Å; D153-S156 VanDerWaalsContact CG-OG 3.24Å; D153-S156 PolarHBondContact OD1-N 3.45Å; D153-S156 PolarHBondContact OD1-OG 2.81Å; D153-S156 VanDerWaalsContact OD1-OG 3.12Å; D153-S156 WeakPolarHBondContact OD2-CB 3.5Å; D153-S156 PolarHBondContact OD2-OG 3.02Å
154	L	98	Very high	98.3	Very high	9 Å²	9	57.6 Å²	57.6	5%	0.047	32%	0.323	C	S	.	.	S	Bend	trans	53.7	25.7	-175.1	-53.7	-178.7	0	0	0	114	L133 L150 N151 E152 R181 L184 E185	L133-L154 HydrophobicContact CD2-CD1 4.25Å; L150-L154 HydrophobicContact CD2-CB 4.47Å; L150-L154 HydrophobicContact CD2-CD2 3.77Å; L150-L154 HydrophobicContact CG-CD2 4.31Å; N151-L154 PolarHBondContact O-N 2.75Å; E152-L154 PolarHBondContact O-N 2.87Å; L154-R181 HydrophobicContact CB-CB 4.09Å; L154-R181 HydrophobicContact CB-CG 3.86Å; L154-R181 HydrophobicContact CD1-CG 4.2Å; L154-L184 HydrophobicContact CD2-CD1 3.97Å; L154-E185 HydrophobicContact CD1-CG 4.18Å
155	R	97.6	Very high	98.3	Very high	162 Å²	162	58.2 Å²	58.2	61%	0.611	31%	0.31	S	S	*	.	S	Bend	trans	-132.4	-33.2	-173.7	-71.5	169.7	-175.7	-105.2	12.4	112.7	D153 A177 R181	D153-R155 WeakPolarHBondContact O-CG 3.47Å; D153-R155 PolarHBondContact O-N 2.9Å; D153-R155 VanDerWaalsContact O-N 3.15Å; D153-R155 PolarHBondContact OD1-N 2.88Å; R155-A177 WeakPolarHBondContact O-CB 3.49Å; R155-R181 VanDerWaalsContact CZ-NH1 3.29Å
156	S	98	Very high	98.3	Very high	39 Å²	39	53.3 Å²	53.3	27%	0.273	29%	0.291	S	S	.	.			trans	-113.7	163	-177.6	63.8	0	0	0	0	112	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.3Å; N151-S156 WeakPolarHBondContact CB-OG 3Å; N151-S156 PolarHBondContact N-O 2.81Å; N151-S156 PolarHBondContact ND2-OG 2.87Å; D153-S156 VanDerWaalsContact CG-OG 3.24Å; D153-S156 PolarHBondContact OD1-N 3.45Å; D153-S156 PolarHBondContact OD1-OG 2.81Å; D153-S156 VanDerWaalsContact OD1-OG 3.12Å; D153-S156 WeakPolarHBondContact OD2-CB 3.5Å; D153-S156 PolarHBondContact OD2-OG 3.02Å
157	W	98.7	Very high	98.3	Very high	10 Å²	10	48.4 Å²	48.4	4%	0.038	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	145.4	-178.6	-60.1	90.7	0	0	0	110.8	N138 I148 A149 L150 Q168 W171 E176 A177 R180	N138-W157 WeakPolarHBondContact ND2-CH2 3.41Å; I148-W157 HydrophobicContact CD1-CB 4.19Å; I148-W157 HydrophobicContact CD1-CD2 4.45Å; I148-W157 HydrophobicContact CD1-CE3 4.27Å; I148-W157 HydrophobicContact CD1-CG 4.44Å; I148-W157 HydrophobicContact CG1-CB 4.27Å; I148-W157 HydrophobicContact CG1-CE3 4.12Å; A149-W157 CarbonylContact O-C 3.59Å; A149-W157 WeakPolarHBondContact O-CA 3.25Å; L150-W157 HydrophobicContact CB-CE3 3.98Å; L150-W157 HydrophobicContact CB-CH2 4.16Å; L150-W157 HydrophobicContact CB-CZ3 3.68Å; L150-W157 HydrophobicContact CD1-CD2 4.13Å; L150-W157 HydrophobicContact CD1-CE3 4.26Å; L150-W157 HydrophobicContact CD1-CH2 4.08Å; L150-W157 HydrophobicContact CD1-CZ2 3.92Å; L150-W157 HydrophobicContact CD1-CZ3 4.23Å; W157-Q168 HydrophobicContact CB-CG 4.2Å; W157-Q168 PolarHBondContact O-NE2 2.73Å; W157-W171 AromaticContact CD2-CE3 3.91Å; W157-W171 HydrophobicContact CD2-CE3 3.91Å; W157-W171 HydrophobicContact CD2-CZ3 4.42Å; W157-W171 AromaticContact CE2-CE3 3.78Å; W157-W171 AromaticContact CE3-CE3 3.78Å; W157-W171 HydrophobicContact CE3-CE3 3.78Å; W157-W171 AromaticContact CE3-CZ3 3.82Å; W157-W171 HydrophobicContact CE3-CZ3 3.82Å; W157-W171 AromaticContact CH2-CE3 3.4Å; W157-W171 HydrophobicContact CH2-CE3 3.4Å; W157-W171 VanDerWaalsContact CH2-CE3 3.4Å; W157-W171 AromaticContact CH2-CZ3 3.43Å; W157-W171 HydrophobicContact CH2-CZ3 3.43Å; W157-W171 VanDerWaalsContact CH2-CZ3 3.43Å; W157-W171 HydrophobicContact CZ2-CD2 4.41Å; W157-W171 AromaticContact CZ2-CE3 3.54Å; W157-W171 HydrophobicContact CZ2-CE3 3.54Å; W157-W171 HydrophobicContact CZ2-CZ3 4.08Å; W157-W171 AromaticContact CZ3-CE3 3.55Å; W157-W171 HydrophobicContact CZ3-CE3 3.55Å; W157-W171 AromaticContact CZ3-CZ3 3.3Å; W157-W171 HydrophobicContact CZ3-CZ3 3.3Å; W157-E176 HydrophobicContact CZ2-CB 4.23Å; W157-A177 HydrophobicContact CZ2-CB 4.33Å; W157-R180 HydrophobicContact CH2-CG 4.31Å
158	T	98.7	Very high	98.3	Very high	79 Å²	79	49.9 Å²	49.9	49%	0.485	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	119.1	166.6	-65.8	0	0	0	0	108.9	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.48Å; I148-T158 WeakPolarHBondContact CG1-O 3.48Å; A149-T158 PolarHBondContact N-O 3.48Å; A149-T158 PolarHBondContact O-N 3.04Å; N151-T158 PolarHBondContact ND2-OG1 2.82Å; N151-T158 WeakPolarHBondContact OD1-CB 3.41Å; N151-T158 PolarHBondContact OD1-OG1 3.15Å
159	A	98.6	Very high	98.3	Very high	23 Å²	23	57 Å²	57	19%	0.19	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	132.8	175.6	0	0	0	0	0	110.2	A164 Q165 Q168	A159-A164 HydrophobicContact CB-CB 3.7Å; A159-Q165 HydrophobicContact CB-CG 4Å; A159-Q168 HydrophobicContact CB-CB 4.4Å
160	A	98.4	Very high	98.3	Very high	61 Å²	61	60.8 Å²	60.8	50%	0.504	31%	0.31	S	S	.	.	S	Bend	trans	-75.2	-31.7	-176.6	0	0	0	0	0	113.3	D146 Y147	D146-A160 HydrophobicContact CB-CB 4.45Å; D146-A160 WeakPolarHBondContact O-CB 3.49Å; Y147-A160 WeakPolarHBondContact O-CB 3.38Å; Y147-A160 PolarHBondContact O-N 2.73Å
161	D	98.3	Very high	98.2	Very high	53 Å²	53	62.4 Å²	62.4	28%	0.283	32%	0.315	S	S	.	.	S	Bend	trans	-150.1	-174.9	-178	66.8	27	0	0	0	113.2	Y109 A163 A164 Q165	Y109-D161 WeakPolarHBondContact CE1-OD2 3.39Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.32Å; Y109-D161 VanDerWaalsContact OH-CG 3.25Å; Y109-D161 PolarHBondContact OH-OD1 2.87Å; Y109-D161 PolarHBondContact OH-OD2 3.5Å; D161-A163 VanDerWaalsContact C-N 3.31Å; D161-A163 PolarHBondContact O-N 2.86Å; D161-A163 WeakPolarHBondContact OD1-CA 3.45Å; D161-A163 WeakPolarHBondContact OD1-CB 3.46Å; D161-A163 PolarHBondContact OD1-N 2.9Å; D161-A164 PolarHBondContact O-N 3.1Å; D161-A164 PolarHBondContact OD1-N 2.79Å; D161-Q165 WeakPolarHBondContact O-CG 3.37Å; D161-Q165 PolarHBondContact O-N 3.4Å
162	T	98.1	Very high	98.2	Very high	111 Å²	111	64.8 Å²	64.8	68%	0.681	33%	0.325	S	S	*	.	H	α-helix	trans	-66.2	-28.8	-178.7	52.4	0	0	0	0	113.6
163	A	98	Very high	98.3	Very high	5 Å²	5	62.7 Å²	62.7	4%	0.041	33%	0.33	C	S	.	.	H	α-helix	trans	-72.2	-43.5	174.4	0	0	0	0	0	110.3	Y109 Y147 D161 Q165 I166	Y109-A163 HydrophobicContact CD1-CB 4.15Å; Y109-A163 HydrophobicContact CD2-CB 4.44Å; Y109-A163 HydrophobicContact CE1-CB 3.59Å; Y109-A163 HydrophobicContact CE2-CB 3.92Å; Y109-A163 VanDerWaalsContact CZ-CB 3.46Å; Y147-A163 HydrophobicContact CE2-CB 4.47Å; Y147-A163 PolarHBondContact OH-O 2.86Å; D161-A163 VanDerWaalsContact C-N 3.31Å; D161-A163 PolarHBondContact O-N 2.86Å; D161-A163 WeakPolarHBondContact OD1-CA 3.45Å; D161-A163 WeakPolarHBondContact OD1-CB 3.46Å; D161-A163 PolarHBondContact OD1-N 2.9Å; A163-Q165 VanDerWaalsContact C-N 3.27Å; A163-Q165 PolarHBondContact O-N 3.24Å; A163-I166 VanDerWaalsContact O-CB 3.25Å; A163-I166 WeakPolarHBondContact O-CB 3.35Å; A163-I166 PolarHBondContact O-N 3.01Å
164	A	98.5	Very high	98.3	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-60.7	-34.4	174.3	0	0	0	0	0	113.1	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD2-CB 3.85Å; Y147-A164 HydrophobicContact CE1-CB 4.44Å; Y147-A164 HydrophobicContact CE2-CB 3.7Å; Y147-A164 HydrophobicContact CG-CB 4.3Å; Y147-A164 WeakPolarHBondContact O-CB 3.24Å; A159-A164 HydrophobicContact CB-CB 3.7Å; D161-A164 PolarHBondContact O-N 3.1Å; D161-A164 PolarHBondContact OD1-N 2.79Å; A164-I166 PolarHBondContact O-N 3.34Å; A164-T167 WeakPolarHBondContact O-CB 3.11Å; A164-T167 PolarHBondContact O-N 2.83Å; A164-Q168 PolarHBondContact O-N 3.33Å
165	Q	98.7	Very high	98.3	Very high	73 Å²	73	68.7 Å²	68.7	34%	0.341	36%	0.358	S	S	.	.	H	α-helix	trans	-60	-28.6	173.3	-72.9	174.4	11.3	0	0	113	A159 D161 A163 Q168 R169	A159-Q165 HydrophobicContact CB-CG 4Å; D161-Q165 WeakPolarHBondContact O-CG 3.37Å; D161-Q165 PolarHBondContact O-N 3.4Å; A163-Q165 VanDerWaalsContact C-N 3.27Å; A163-Q165 PolarHBondContact O-N 3.24Å; Q165-Q168 PolarHBondContact O-N 3.29Å; Q165-R169 WeakPolarHBondContact O-CG 3.25Å; Q165-R169 PolarHBondContact O-N 2.86Å; Q165-R169 VanDerWaalsContact O-N 3.1Å
166	I	98.4	Very high	98.3	Very high	58 Å²	58	63 Å²	63	30%	0.297	34%	0.338	S	S	.	.	H	α-helix	trans	-66.1	-44	174	-56.7	171	0	0	0	109.9	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.21Å; Y108-I166 HydrophobicContact CE1-CG2 4.14Å; Y108-I166 HydrophobicContact CE2-CB 4.29Å; Y108-I166 HydrophobicContact CE2-CG2 4.13Å; Y108-I166 HydrophobicContact CG-CD1 4.24Å; A163-I166 VanDerWaalsContact O-CB 3.25Å; A163-I166 WeakPolarHBondContact O-CB 3.35Å; A163-I166 PolarHBondContact O-N 3.01Å; A164-I166 PolarHBondContact O-N 3.34Å; I166-K170 WeakPolarHBondContact O-CG 3.43Å; I166-K170 PolarHBondContact O-N 3.38Å
167	T	98.3	Very high	98.3	Very high	17 Å²	17	61.6 Å²	61.6	10%	0.104	33%	0.329	C	S	.	.	H	α-helix	trans	-65.1	-45.2	175	-70.1	0	0	0	0	111.2	Y147 I148 A164 R169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.21Å; Y147-T167 PolarHBondContact OH-OG1 3.03Å; I148-T167 HydrophobicContact CD1-CG2 4.06Å; A164-T167 WeakPolarHBondContact O-CB 3.11Å; A164-T167 PolarHBondContact O-N 2.83Å; T167-R169 PolarHBondContact O-N 2.88Å; T167-K170 WeakPolarHBondContact O-CB 3.4Å; T167-K170 PolarHBondContact O-N 2.91Å; T167-K170 VanDerWaalsContact O-N 3.12Å; T167-W171 HydrophobicContact CG2-CD2 3.66Å; T167-W171 VanDerWaalsContact CG2-CE2 3.49Å; T167-W171 HydrophobicContact CG2-CE3 4.08Å; T167-W171 HydrophobicContact CG2-CG 4.08Å; T167-W171 HydrophobicContact CG2-CH2 4.17Å; T167-W171 HydrophobicContact CG2-CZ2 3.79Å; T167-W171 HydrophobicContact CG2-CZ3 4.31Å; T167-W171 PolarHBondContact O-N 2.92Å
168	Q	98.6	Very high	98.3	Very high	40 Å²	40	66.6 Å²	66.6	19%	0.187	35%	0.353	C	S	.	.	H	α-helix	trans	-51.8	-54.4	178	176.6	174.9	14.7	0	0	111.7	I148 W157 A159 A164 Q165 K170 W171 E172	I148-Q168 HydrophobicContact CD1-CB 3.92Å; W157-Q168 HydrophobicContact CB-CG 4.2Å; W157-Q168 PolarHBondContact O-NE2 2.73Å; A159-Q168 HydrophobicContact CB-CB 4.4Å; A164-Q168 PolarHBondContact O-N 3.33Å; Q165-Q168 PolarHBondContact O-N 3.29Å; Q168-K170 VanDerWaalsContact C-N 3.27Å; Q168-K170 PolarHBondContact O-N 2.85Å; Q168-W171 PolarHBondContact O-N 2.62Å; Q168-W171 VanDerWaalsContact O-N 3.11Å; Q168-E172 HydrophobicContact CG-CG 4.3Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.2Å; Q168-E172 PolarHBondContact NE2-OE1 2.85Å; Q168-E172 WeakPolarHBondContact O-CB 3.49Å; Q168-E172 WeakPolarHBondContact O-CG 3.2Å; Q168-E172 PolarHBondContact O-N 2.82Å
169	R	98.6	Very high	98.2	Very high	154 Å²	154	68.7 Å²	68.7	58%	0.581	36%	0.357	S	S	*	.	H	α-helix	trans	-58.5	-38.4	-180	-67.9	171	-166.2	154	8.3	112.5	Q165 T167 A173	Q165-R169 WeakPolarHBondContact O-CG 3.25Å; Q165-R169 PolarHBondContact O-N 2.86Å; Q165-R169 VanDerWaalsContact O-N 3.1Å; T167-R169 PolarHBondContact O-N 2.88Å; R169-A173 WeakPolarHBondContact O-CB 3.39Å; R169-A173 PolarHBondContact O-N 3.31Å
170	K	98.1	Very high	98.1	Very high	112 Å²	112	70.8 Å²	70.8	49%	0.487	36%	0.36	S	S	.	.	H	α-helix	trans	-67.1	-43.3	177.3	-72.2	176.6	-179.8	-178.3	0	111.6	Y108 I166 T167 Q168 A174	Y108-K170 PolarHBondContact OH-NZ 3.35Å; I166-K170 WeakPolarHBondContact O-CG 3.43Å; I166-K170 PolarHBondContact O-N 3.38Å; T167-K170 WeakPolarHBondContact O-CB 3.4Å; T167-K170 PolarHBondContact O-N 2.91Å; T167-K170 VanDerWaalsContact O-N 3.12Å; Q168-K170 VanDerWaalsContact C-N 3.27Å; Q168-K170 PolarHBondContact O-N 2.85Å; K170-A174 WeakPolarHBondContact O-CB 3.05Å; K170-A174 PolarHBondContact O-N 3.2Å
171	W	98.3	Very high	98.1	Very high	48 Å²	48	71.1 Å²	71.1	18%	0.182	35%	0.348	C	S	.	.	H	α-helix	trans	-71.5	-36.2	-179.6	-76.1	5.3	0	0	0	112.8	F140 I148 W157 T167 Q168 A174 R175 E176	F140-W171 AromaticContact CD2-CH2 3.79Å; F140-W171 HydrophobicContact CD2-CH2 3.79Å; F140-W171 HydrophobicContact CD2-CZ3 4.29Å; F140-W171 AromaticContact CE2-CH2 3.44Å; F140-W171 HydrophobicContact CE2-CH2 3.44Å; F140-W171 VanDerWaalsContact CE2-CH2 3.44Å; F140-W171 HydrophobicContact CE2-CZ2 4.43Å; F140-W171 HydrophobicContact CE2-CZ3 4.08Å; F140-W171 AromaticContact CZ-CH2 3.92Å; F140-W171 HydrophobicContact CZ-CH2 3.92Å; I148-W171 HydrophobicContact CD1-CE3 4.05Å; I148-W171 HydrophobicContact CD1-CZ3 4.22Å; I148-W171 HydrophobicContact CG2-CE3 4.47Å; I148-W171 HydrophobicContact CG2-CH2 3.93Å; I148-W171 HydrophobicContact CG2-CZ3 3.63Å; W157-W171 AromaticContact CD2-CE3 3.91Å; W157-W171 HydrophobicContact CD2-CE3 3.91Å; W157-W171 HydrophobicContact CD2-CZ3 4.42Å; W157-W171 AromaticContact CE2-CE3 3.78Å; W157-W171 AromaticContact CE3-CE3 3.78Å; W157-W171 HydrophobicContact CE3-CE3 3.78Å; W157-W171 AromaticContact CE3-CZ3 3.82Å; W157-W171 HydrophobicContact CE3-CZ3 3.82Å; W157-W171 AromaticContact CH2-CE3 3.4Å; W157-W171 HydrophobicContact CH2-CE3 3.4Å; W157-W171 VanDerWaalsContact CH2-CE3 3.4Å; W157-W171 AromaticContact CH2-CZ3 3.43Å; W157-W171 HydrophobicContact CH2-CZ3 3.43Å; W157-W171 VanDerWaalsContact CH2-CZ3 3.43Å; W157-W171 HydrophobicContact CZ2-CD2 4.41Å; W157-W171 AromaticContact CZ2-CE3 3.54Å; W157-W171 HydrophobicContact CZ2-CE3 3.54Å; W157-W171 HydrophobicContact CZ2-CZ3 4.08Å; W157-W171 AromaticContact CZ3-CE3 3.55Å; W157-W171 HydrophobicContact CZ3-CE3 3.55Å; W157-W171 AromaticContact CZ3-CZ3 3.3Å; W157-W171 HydrophobicContact CZ3-CZ3 3.3Å; T167-W171 HydrophobicContact CG2-CD2 3.66Å; T167-W171 VanDerWaalsContact CG2-CE2 3.49Å; T167-W171 HydrophobicContact CG2-CE3 4.08Å; T167-W171 HydrophobicContact CG2-CG 4.08Å; T167-W171 HydrophobicContact CG2-CH2 4.17Å; T167-W171 HydrophobicContact CG2-CZ2 3.79Å; T167-W171 HydrophobicContact CG2-CZ3 4.31Å; T167-W171 PolarHBondContact O-N 2.92Å; Q168-W171 PolarHBondContact O-N 2.62Å; Q168-W171 VanDerWaalsContact O-N 3.11Å; W171-A174 CarbonylContact O-C 3.55Å; W171-A174 PolarHBondContact O-N 2.84Å; W171-R175 PolarHBondContact O-N 2.93Å; W171-E176 HydrophobicContact CB-CB 3.93Å; W171-E176 HydrophobicContact CB-CG 3.94Å; W171-E176 HydrophobicContact CD2-CG 4.49Å; W171-E176 HydrophobicContact CG-CB 4.1Å; W171-E176 HydrophobicContact CG-CG 3.83Å; W171-E176 PolarHBondContact O-N 3.15Å
172	E	98.4	Very high	98.1	Very high	95 Å²	95	71.6 Å²	71.6	44%	0.444	36%	0.36	S	S	.	.	H	α-helix	trans	-64.3	-47	172	-72.9	169.9	173.8	0	0	111	Q168 A174 R175	Q168-E172 HydrophobicContact CG-CG 4.3Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.2Å; Q168-E172 PolarHBondContact NE2-OE1 2.85Å; Q168-E172 WeakPolarHBondContact O-CB 3.49Å; Q168-E172 WeakPolarHBondContact O-CG 3.2Å; Q168-E172 PolarHBondContact O-N 2.82Å; E172-A174 VanDerWaalsContact C-N 3.26Å; E172-A174 PolarHBondContact O-N 3.4Å; E172-R175 PolarHBondContact O-N 3.05Å
173	A	98.3	Very high	98.1	Very high	89 Å²	89	69.2 Å²	69.2	74%	0.736	34%	0.339	S	S	*	.	H	α-helix	trans	-61	-35.5	176	0	0	0	0	0	112.7	R169 R175	R169-A173 WeakPolarHBondContact O-CB 3.39Å; R169-A173 PolarHBondContact O-N 3.31Å; A173-R175 VanDerWaalsContact C-N 3.35Å
174	A	97.9	Very high	98.1	Very high	55 Å²	55	69 Å²	69	46%	0.455	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-1.3	176.8	0	0	0	0	0	114.1	K170 W171 E172 E176	K170-A174 WeakPolarHBondContact O-CB 3.05Å; K170-A174 PolarHBondContact O-N 3.2Å; W171-A174 CarbonylContact O-C 3.55Å; W171-A174 PolarHBondContact O-N 2.84Å; E172-A174 VanDerWaalsContact C-N 3.26Å; E172-A174 PolarHBondContact O-N 3.4Å; A174-E176 HydrophobicContact CB-CG 4.09Å; A174-E176 PolarHBondContact O-N 3.24Å
175	R	97.7	Very high	98.1	Very high	159 Å²	159	73.1 Å²	73.1	60%	0.6	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	37.8	-176.6	-56.3	-179	176.4	-156.8	3.9	113.9	W171 E172 A173 A177 E178	W171-R175 PolarHBondContact O-N 2.93Å; E172-R175 PolarHBondContact O-N 3.05Å; A173-R175 VanDerWaalsContact C-N 3.35Å; R175-A177 PolarHBondContact O-N 2.83Å; R175-A177 VanDerWaalsContact O-N 3.16Å; R175-E178 HydrophobicContact CB-CG 4.23Å; R175-E178 WeakPolarHBondContact CD-OE1 3.42Å; R175-E178 IonicContact NH1-OE1 3.34Å; R175-E178 WeakPolarHBondContact O-CB 3.03Å; R175-E178 PolarHBondContact O-N 3.07Å
176	E	97.5	Very high	98.1	Very high	42 Å²	42	70.8 Å²	70.8	20%	0.196	35%	0.352	C	S	.	.	H	α-helix	trans	-57.8	-32.5	-178.2	-73.6	-76.6	166.5	0	0	112.6	W157 W171 A174 E178 Q179 R180	W157-E176 HydrophobicContact CZ2-CB 4.23Å; W171-E176 HydrophobicContact CB-CB 3.93Å; W171-E176 HydrophobicContact CB-CG 3.94Å; W171-E176 HydrophobicContact CD2-CG 4.49Å; W171-E176 HydrophobicContact CG-CB 4.1Å; W171-E176 HydrophobicContact CG-CG 3.83Å; W171-E176 PolarHBondContact O-N 3.15Å; A174-E176 HydrophobicContact CB-CG 4.09Å; A174-E176 PolarHBondContact O-N 3.24Å; E176-E178 VanDerWaalsContact C-N 3.26Å; E176-E178 PolarHBondContact O-N 3.31Å; E176-Q179 PolarHBondContact O-N 3.44Å; E176-R180 WeakPolarHBondContact O-CG 3.38Å; E176-R180 PolarHBondContact O-N 3.42Å; E176-R180 VanDerWaalsContact O-N 3.07Å; E176-R180 IonicContact OE2-NH2 3.05Å
177	A	98.3	Very high	98.1	Very high	10 Å²	10	70.4 Å²	70.4	8%	0.083	35%	0.352	C	S	.	.	H	α-helix	trans	-58.8	-36.4	177.4	0	0	0	0	0	112.4	L150 R155 W157 R175 Q179 R180 R181	L150-A177 HydrophobicContact CD1-CB 4.02Å; R155-A177 WeakPolarHBondContact O-CB 3.49Å; W157-A177 HydrophobicContact CZ2-CB 4.33Å; R175-A177 PolarHBondContact O-N 2.83Å; R175-A177 VanDerWaalsContact O-N 3.16Å; A177-Q179 PolarHBondContact O-N 3.27Å; A177-R180 PolarHBondContact O-N 2.77Å; A177-R181 WeakPolarHBondContact O-CB 3.41Å; A177-R181 PolarHBondContact O-N 2.71Å
178	E	98	Very high	98.1	Very high	114 Å²	114	69.6 Å²	69.6	53%	0.533	35%	0.347	S	S	.	.	H	α-helix	trans	-63.4	-41.6	178.9	-63.7	178.5	-177.9	0	0	111.3	R175 E176 A182	R175-E178 HydrophobicContact CB-CG 4.23Å; R175-E178 WeakPolarHBondContact CD-OE1 3.42Å; R175-E178 IonicContact NH1-OE1 3.34Å; R175-E178 WeakPolarHBondContact O-CB 3.03Å; R175-E178 PolarHBondContact O-N 3.07Å; E176-E178 VanDerWaalsContact C-N 3.26Å; E176-E178 PolarHBondContact O-N 3.31Å; E178-A182 WeakPolarHBondContact O-CB 3.29Å; E178-A182 PolarHBondContact O-N 3.04Å
179	Q	96.6	Very high	98	Very high	124 Å²	124	68.1 Å²	68.1	58%	0.579	34%	0.341	S	S	*	.	H	α-helix	trans	-68.3	-42	177.1	-62.2	-175.9	11.9	0	0	111.9	E176 A177 A182 Y183	E176-Q179 PolarHBondContact O-N 3.44Å; A177-Q179 PolarHBondContact O-N 3.27Å; Q179-A182 PolarHBondContact O-N 2.04Å; Q179-Y183 PolarHBondContact O-N 2.74Å; Q179-Y183 VanDerWaalsContact O-N 3.13Å
180	R	97.9	Very high	98	Very high	66 Å²	66	66.6 Å²	66.6	25%	0.249	34%	0.34	C	S	.	.	H	α-helix	trans	-64.5	-44	177.2	-61	-59	166.5	-168.3	-4.3	110.9	L150 W157 E176 A177 Y183 L184	L150-R180 HydrophobicContact CD2-CB 4.04Å; W157-R180 HydrophobicContact CH2-CG 4.31Å; E176-R180 WeakPolarHBondContact O-CG 3.38Å; E176-R180 PolarHBondContact O-N 3.42Å; E176-R180 VanDerWaalsContact O-N 3.07Å; E176-R180 IonicContact OE2-NH2 3.05Å; A177-R180 PolarHBondContact O-N 2.77Å; R180-Y183 PolarHBondContact O-N 3.32Å; R180-L184 WeakPolarHBondContact O-CB 3.32Å; R180-L184 WeakPolarHBondContact O-CG 3.47Å; R180-L184 PolarHBondContact O-N 2.83Å
181	R	98.3	Very high	98	Very high	68 Å²	68	63.4 Å²	63.4	26%	0.257	33%	0.325	S	S	.	.	H	α-helix	trans	-59.7	-47.3	175.6	-175.4	172.9	-179.6	-135.8	-12.9	112	L154 R155 A177 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4.09Å; L154-R181 HydrophobicContact CB-CG 3.86Å; L154-R181 HydrophobicContact CD1-CG 4.2Å; R155-R181 VanDerWaalsContact CZ-NH1 3.29Å; A177-R181 WeakPolarHBondContact O-CB 3.41Å; A177-R181 PolarHBondContact O-N 2.71Å; R181-Y183 VanDerWaalsContact C-N 3.3Å; R181-Y183 PolarHBondContact O-N 3.34Å; R181-L184 PolarHBondContact O-N 3.15Å; R181-L184 VanDerWaalsContact O-N 3.15Å; R181-E185 HydrophobicContact CG-CG 4.08Å; R181-E185 IonicContact CZ-OE1 3.02Å; R181-E185 VanDerWaalsContact CZ-OE1 3.26Å; R181-E185 IonicContact CZ-OE2 3.62Å; R181-E185 VanDerWaalsContact NE-CD 3.29Å; R181-E185 IonicContact NE-OE1 3.68Å; R181-E185 PolarHBondContact NE-OE1 3.22Å; R181-E185 IonicContact NE-OE2 3.37Å; R181-E185 PolarHBondContact NE-OE2 3.37Å; R181-E185 IonicContact NH2-OE1 2.75Å; R181-E185 PolarHBondContact NH2-OE1 3.3Å; R181-E185 IonicContact NH2-OE2 2.98Å; R181-E185 PolarHBondContact NH2-OE2 2.91Å; R181-E185 WeakPolarHBondContact O-CB 3.19Å; R181-E185 PolarHBondContact O-N 2.83Å
182	A	98.3	Very high	98	Very high	64 Å²	64	61.1 Å²	61.1	53%	0.529	32%	0.317	S	S	.	.	H	α-helix	trans	-59	-40.2	177.8	0	0	0	0	0	112.6	E178 Q179 G186	E178-A182 WeakPolarHBondContact O-CB 3.29Å; E178-A182 PolarHBondContact O-N 3.04Å; Q179-A182 PolarHBondContact O-N 2.04Å; A182-G186 PolarHBondContact O-N 3.06Å; A182-G186 VanDerWaalsContact O-N 3.12Å
183	Y	98.1	Very high	97.9	Very high	60 Å²	60	62.5 Å²	62.5	24%	0.235	32%	0.318	C	S	.	.	I	π-helix	trans	-66.1	-46.3	173.6	172	-95.3	0	0	0	112.2	F123 Q179 R180 R181 T187 C188	F123-Y183 AromaticContact CD2-CE1 3.85Å; F123-Y183 HydrophobicContact CD2-CE1 3.85Å; F123-Y183 AromaticContact CE2-CE1 3.82Å; F123-Y183 HydrophobicContact CE2-CE1 3.82Å; Q179-Y183 PolarHBondContact O-N 2.74Å; Q179-Y183 VanDerWaalsContact O-N 3.13Å; R180-Y183 PolarHBondContact O-N 3.32Å; R181-Y183 VanDerWaalsContact C-N 3.3Å; R181-Y183 PolarHBondContact O-N 3.34Å; Y183-T187 HydrophobicContact CD2-CG2 3.89Å; Y183-T187 HydrophobicContact CE2-CG2 3.68Å; Y183-T187 PolarHBondContact O-N 2.85Å; Y183-T187 VanDerWaalsContact O-N 3.13Å; Y183-C188 HydrophobicContact CD1-CB 4.37Å; Y183-C188 HydrophobicContact CE1-CB 3.95Å; Y183-C188 WeakPolarHBondContact O-CB 3.14Å; Y183-C188 PolarHBondContact O-N 2.97Å
184	L	98.4	Very high	97.8	Very high	2 Å²	2	64.1 Å²	64.1	1%	0.01	31%	0.305	C	S	.	.	I	π-helix	trans	-69.9	-39.2	-175	-70.5	171	0	0	0	112.8	G124 L150 L154 R180 R181 V189	G124-L184 WeakPolarHBondContact O-CD2 3.3Å; L150-L184 HydrophobicContact CD2-CD1 3.94Å; L154-L184 HydrophobicContact CD2-CD1 3.97Å; R180-L184 WeakPolarHBondContact O-CB 3.32Å; R180-L184 WeakPolarHBondContact O-CG 3.47Å; R180-L184 PolarHBondContact O-N 2.83Å; R181-L184 PolarHBondContact O-N 3.15Å; R181-L184 VanDerWaalsContact O-N 3.15Å; L184-V189 WeakPolarHBondContact O-CG2 3.3Å
185	E	98	Very high	97.8	Very high	86 Å²	86	61.6 Å²	61.6	40%	0.402	28%	0.283	S	S	.	.	I	π-helix	trans	-80.5	-24.4	178.1	-69	-179.2	164.7	0	0	113.2	L133 L154 R181	L133-E185 HydrophobicContact CD2-CB 4.4Å; L133-E185 HydrophobicContact CD2-CG 3.69Å; L154-E185 HydrophobicContact CD1-CG 4.18Å; R181-E185 HydrophobicContact CG-CG 4.08Å; R181-E185 IonicContact CZ-OE1 3.02Å; R181-E185 VanDerWaalsContact CZ-OE1 3.26Å; R181-E185 IonicContact CZ-OE2 3.62Å; R181-E185 VanDerWaalsContact NE-CD 3.29Å; R181-E185 IonicContact NE-OE1 3.68Å; R181-E185 PolarHBondContact NE-OE1 3.22Å; R181-E185 IonicContact NE-OE2 3.37Å; R181-E185 PolarHBondContact NE-OE2 3.37Å; R181-E185 IonicContact NH2-OE1 2.75Å; R181-E185 PolarHBondContact NH2-OE1 3.3Å; R181-E185 IonicContact NH2-OE2 2.98Å; R181-E185 PolarHBondContact NH2-OE2 2.91Å; R181-E185 WeakPolarHBondContact O-CB 3.19Å; R181-E185 PolarHBondContact O-N 2.83Å
186	G	97.8	Very high	97.7	Very high	23 Å²	23	54.7 Å²	54.7	24%	0.237	26%	0.258	C	S	.	.	I	π-helix	trans	-108.6	-89.6	-178.8	0	0	0	0	0	112.4	A182 C188 V189 E190	A182-G186 PolarHBondContact O-N 3.06Å; A182-G186 VanDerWaalsContact O-N 3.12Å; G186-C188 VanDerWaalsContact C-N 3.32Å; G186-C188 PolarHBondContact O-N 3.33Å; G186-V189 PolarHBondContact O-N 3.06Å; G186-V189 VanDerWaalsContact O-N 3.09Å; G186-E190 WeakPolarHBondContact O-CG 3.34Å; G186-E190 PolarHBondContact O-N 3.09Å
187	T	97.8	Very high	97.6	Very high	50 Å²	50	58.7 Å²	58.7	31%	0.307	28%	0.277	S	S	.	.	I	π-helix	trans	-53.2	-44	-171	-55.4	0	0	0	0	113.2	Y183 V189 E190 W191	Y183-T187 HydrophobicContact CD2-CG2 3.89Å; Y183-T187 HydrophobicContact CE2-CG2 3.68Å; Y183-T187 PolarHBondContact O-N 2.85Å; Y183-T187 VanDerWaalsContact O-N 3.13Å; T187-V189 PolarHBondContact O-N 3.4Å; T187-E190 PolarHBondContact O-N 3.35Å; T187-W191 VanDerWaalsContact CG2-CD1 3.45Å; T187-W191 WeakPolarHBondContact O-CB 3.39Å; T187-W191 PolarHBondContact O-N 2.91Å
188	C	98.3	Very high	97.5	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-60.5	-47.5	-179.7	-169.9	0	0	0	0	111.5	M29 C125 Y183 G186 W191 L192	M29-C188 HydrophobicContact CE-CB 4.18Å; M29-C188 VanDerWaalsContact CE-O 3.23Å; M29-C188 WeakPolarHBondContact CE-O 3.46Å; M29-C188 WeakPolarHBondContact CE-SG 2.99Å; C125-C188 HydrophobicContact CB-CB 3.91Å; C125-C188 WeakPolarHBondContact CB-SG 3.2Å; C125-C188 PolarHBondContact N-SG 2.92Å; C125-C188 WeakPolarHBondContact SG-CB 3.39Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.42Å; Y183-C188 HydrophobicContact CD1-CB 4.37Å; Y183-C188 HydrophobicContact CE1-CB 3.95Å; Y183-C188 WeakPolarHBondContact O-CB 3.14Å; Y183-C188 PolarHBondContact O-N 2.97Å; G186-C188 VanDerWaalsContact C-N 3.32Å; G186-C188 PolarHBondContact O-N 3.33Å; C188-W191 PolarHBondContact O-N 3.03Å; C188-L192 WeakPolarHBondContact O-CB 3.37Å; C188-L192 PolarHBondContact O-N 2.93Å
189	V	98.3	Very high	97.4	Very high	9 Å²	9	55.5 Å²	55.5	6%	0.055	26%	0.263	C	S	.	.	H	α-helix	trans	-61.9	-45.7	178	178.8	0	0	0	0	111.3	L127 L133 L184 G186 T187 R193	L127-V189 HydrophobicContact CD1-CG1 4.34Å; L127-V189 HydrophobicContact CD2-CB 4.18Å; L127-V189 HydrophobicContact CD2-CG1 3.77Å; L127-V189 HydrophobicContact CD2-CG2 3.87Å; L133-V189 HydrophobicContact CB-CG2 4.08Å; L133-V189 HydrophobicContact CD1-CG2 4.12Å; L184-V189 WeakPolarHBondContact O-CG2 3.3Å; G186-V189 PolarHBondContact O-N 3.06Å; G186-V189 VanDerWaalsContact O-N 3.09Å; T187-V189 PolarHBondContact O-N 3.4Å; V189-R193 WeakPolarHBondContact O-CG 3.41Å; V189-R193 PolarHBondContact O-N 3.36Å
190	E	97.9	Very high	97.2	Very high	123 Å²	123	54.9 Å²	54.9	58%	0.575	26%	0.259	S	S	*	.	H	α-helix	trans	-61.4	-46.4	180	-71.1	173.4	174.1	0	0	112.1	G186 T187 R194	G186-E190 WeakPolarHBondContact O-CG 3.34Å; G186-E190 PolarHBondContact O-N 3.09Å; T187-E190 PolarHBondContact O-N 3.35Å; E190-R194 PolarHBondContact O-N 2.9Å; E190-R194 VanDerWaalsContact O-N 3.11Å
191	W	97.9	Very high	96.8	Very high	45 Å²	45	60.4 Å²	60.4	17%	0.17	29%	0.287	C	S	.	.	H	α-helix	trans	-69.3	-41.7	179.5	-82.1	96.9	0	0	0	112.3	M29 Y83 T187 C188 R193 R194 Y195	M29-W191 HydrophobicContact CE-CB 4.08Å; M29-W191 HydrophobicContact SD-CB 4.45Å; Y83-W191 AromaticContact CD2-CH2 3.48Å; Y83-W191 HydrophobicContact CD2-CH2 3.48Å; Y83-W191 VanDerWaalsContact CD2-CH2 3.48Å; Y83-W191 HydrophobicContact CD2-CZ2 4.21Å; Y83-W191 AromaticContact CD2-CZ3 3.72Å; Y83-W191 HydrophobicContact CD2-CZ3 3.72Å; Y83-W191 HydrophobicContact CE2-CE3 4.19Å; Y83-W191 AromaticContact CE2-CH2 3.84Å; Y83-W191 HydrophobicContact CE2-CH2 3.84Å; Y83-W191 HydrophobicContact CE2-CZ2 4.48Å; Y83-W191 AromaticContact CE2-CZ3 3.65Å; Y83-W191 HydrophobicContact CE2-CZ3 3.65Å; T187-W191 VanDerWaalsContact CG2-CD1 3.45Å; T187-W191 WeakPolarHBondContact O-CB 3.39Å; T187-W191 PolarHBondContact O-N 2.91Å; C188-W191 PolarHBondContact O-N 3.03Å; W191-R193 VanDerWaalsContact C-N 3.34Å; W191-R193 PolarHBondContact O-N 3.25Å; W191-R194 WeakPolarHBondContact O-CB 3.48Å; W191-R194 PolarHBondContact O-N 2.81Å; W191-Y195 HydrophobicContact CB-CE2 4.07Å; W191-Y195 HydrophobicContact CE3-CD1 4.44Å; W191-Y195 AromaticContact CE3-CE1 3.54Å; W191-Y195 HydrophobicContact CE3-CE1 3.54Å; W191-Y195 HydrophobicContact CE3-CE2 4.21Å; W191-Y195 AromaticContact CE3-CZ 3.39Å; W191-Y195 AromaticContact CZ3-CE1 3.91Å; W191-Y195 HydrophobicContact CZ3-CE1 3.91Å; W191-Y195 VanDerWaalsContact O-CD2 3.28Å; W191-Y195 WeakPolarHBondContact O-CD2 3.31Å; W191-Y195 VanDerWaalsContact O-CG 3.26Å; W191-Y195 PolarHBondContact O-N 2.88Å
192	L	98.1	Very high	96.4	Very high	0 Å²	0	59 Å²	59	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-60.3	-44.6	176.5	174.9	50.6	0	0	0	111.2	H27 M29 V52 L127 C188 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.47Å; M29-L192 HydrophobicContact CB-CB 4.06Å; M29-L192 HydrophobicContact CB-CD1 4.04Å; M29-L192 HydrophobicContact CB-CD2 3.94Å; M29-L192 HydrophobicContact CB-CG 4.23Å; M29-L192 HydrophobicContact CE-CB 4.29Å; M29-L192 HydrophobicContact SD-CB 4.44Å; V52-L192 HydrophobicContact CG1-CD1 3.61Å; V52-L192 HydrophobicContact CG2-CD1 4.28Å; L127-L192 HydrophobicContact CB-CD2 4.45Å; L127-L192 HydrophobicContact CD1-CB 4.19Å; L127-L192 HydrophobicContact CD1-CD2 3.66Å; L127-L192 HydrophobicContact CD1-CG 3.74Å; L127-L192 HydrophobicContact CG-CD2 3.57Å; L127-L192 HydrophobicContact CG-CG 4.24Å; C188-L192 WeakPolarHBondContact O-CB 3.37Å; C188-L192 PolarHBondContact O-N 2.93Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 2.98Å; L192-Y195 PolarHBondContact O-N 2.81Å; L192-L196 HydrophobicContact CD1-CD1 3.83Å; L192-L196 HydrophobicContact CD1-CD2 4.36Å; L192-L196 HydrophobicContact CD1-CG 3.83Å; L192-L196 HydrophobicContact CG-CD1 4.02Å; L192-L196 HydrophobicContact CG-CG 4.47Å; L192-L196 WeakPolarHBondContact O-CB 3.48Å; L192-L196 VanDerWaalsContact O-CG 3.29Å; L192-L196 WeakPolarHBondContact O-CG 3.31Å; L192-L196 PolarHBondContact O-N 3.2Å
193	R	96.6	Very high	96	Very high	123 Å²	123	56.2 Å²	56.2	46%	0.464	26%	0.262	S	S	.	.	H	α-helix	trans	-59.3	-43	174.3	-71.9	175.2	-176.5	168.3	-0.4	112.6	L127 G131 V189 W191 L196 E197	L127-R193 HydrophobicContact CD1-CG 3.96Å; G131-R193 VanDerWaalsContact O-CZ 3.29Å; G131-R193 PolarHBondContact O-NE 3.12Å; G131-R193 PolarHBondContact O-NH2 3.11Å; V189-R193 WeakPolarHBondContact O-CG 3.41Å; V189-R193 PolarHBondContact O-N 3.36Å; W191-R193 VanDerWaalsContact C-N 3.34Å; W191-R193 PolarHBondContact O-N 3.25Å; R193-L196 PolarHBondContact O-N 2.92Å; R193-E197 PolarHBondContact O-N 3.25Å
194	R	96.8	Very high	95.5	Very high	124 Å²	124	57.6 Å²	57.6	47%	0.468	27%	0.271	S	S	.	.	H	α-helix	trans	-61.7	-43.5	176.5	178.3	179.6	174.9	121.6	-4.1	111.6	E79 E190 W191 L192 E197 N198	E79-R194 VanDerWaalsContact CD-NH2 3.35Å; E79-R194 IonicContact OE1-CZ 3.12Å; E79-R194 IonicContact OE1-NE 3.29Å; E79-R194 PolarHBondContact OE1-NE 3.04Å; E79-R194 IonicContact OE1-NH2 2.6Å; E79-R194 PolarHBondContact OE1-NH2 2.82Å; E79-R194 IonicContact OE2-CZ 2.74Å; E79-R194 IonicContact OE2-NE 3.04Å; E79-R194 IonicContact OE2-NH2 3.85Å; E79-R194 PolarHBondContact OE2-NH2 2.84Å; E190-R194 PolarHBondContact O-N 2.9Å; E190-R194 VanDerWaalsContact O-N 3.11Å; W191-R194 WeakPolarHBondContact O-CB 3.48Å; W191-R194 PolarHBondContact O-N 2.81Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 2.98Å; R194-E197 PolarHBondContact O-N 2.83Å; R194-N198 VanDerWaalsContact O-CB 3.32Å; R194-N198 WeakPolarHBondContact O-CB 3.42Å; R194-N198 PolarHBondContact O-N 3.47Å; R194-N198 PolarHBondContact O-OD1 2.87Å
195	Y	97.2	Very high	95.1	Very high	1 Å²	1	61.9 Å²	61.9	0%	0.004	29%	0.287	C	S	.	.	H	α-helix	trans	-67.5	-40.2	178.4	-62.3	-32.3	0	0	0	112.4	M29 V52 F57 W75 V76 Y83 W191 L192 E197 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.74Å; M29-Y195 HydrophobicContact SD-CE2 3.58Å; M29-Y195 VanDerWaalsContact SD-CE2 3.58Å; V52-Y195 HydrophobicContact CG2-CD2 3.97Å; V52-Y195 HydrophobicContact CG2-CG 4.46Å; F57-Y195 HydrophobicContact CD2-CE2 4.45Å; F57-Y195 HydrophobicContact CE2-CD2 4.24Å; F57-Y195 AromaticContact CE2-CE2 3.6Å; F57-Y195 HydrophobicContact CE2-CE2 3.6Å; F57-Y195 AromaticContact CE2-CZ 3.78Å; F57-Y195 HydrophobicContact CZ-CD2 4.28Å; F57-Y195 AromaticContact CZ-CE2 3.73Å; F57-Y195 HydrophobicContact CZ-CE2 3.73Å; W75-Y195 HydrophobicContact CE3-CD1 4.24Å; W75-Y195 HydrophobicContact CH2-CG 4.22Å; W75-Y195 AromaticContact CZ3-CD1 3.59Å; W75-Y195 HydrophobicContact CZ3-CD1 3.59Å; W75-Y195 HydrophobicContact CZ3-CD2 4.36Å; W75-Y195 HydrophobicContact CZ3-CE1 4.33Å; W75-Y195 AromaticContact CZ3-CG 3.61Å; W75-Y195 HydrophobicContact CZ3-CG 3.61Å; V76-Y195 HydrophobicContact CG2-CE1 4.37Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.27Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.41Å; Y83-Y195 PolarHBondContact OH-OH 3Å; W191-Y195 HydrophobicContact CB-CE2 4.07Å; W191-Y195 HydrophobicContact CE3-CD1 4.44Å; W191-Y195 AromaticContact CE3-CE1 3.54Å; W191-Y195 HydrophobicContact CE3-CE1 3.54Å; W191-Y195 HydrophobicContact CE3-CE2 4.21Å; W191-Y195 AromaticContact CE3-CZ 3.39Å; W191-Y195 AromaticContact CZ3-CE1 3.91Å; W191-Y195 HydrophobicContact CZ3-CE1 3.91Å; W191-Y195 VanDerWaalsContact O-CD2 3.28Å; W191-Y195 WeakPolarHBondContact O-CD2 3.31Å; W191-Y195 VanDerWaalsContact O-CG 3.26Å; W191-Y195 PolarHBondContact O-N 2.88Å; L192-Y195 PolarHBondContact O-N 2.81Å; Y195-E197 VanDerWaalsContact C-N 3.28Å; Y195-E197 PolarHBondContact O-N 3.11Å; Y195-N198 PolarHBondContact O-N 2.81Å; Y195-G199 WeakPolarHBondContact O-CA 3.41Å; Y195-G199 PolarHBondContact O-N 2.91Å; Y195-L203 WeakPolarHBondContact O-CD1 3.35Å
196	L	95.8	Very high	94.8	Very high	14 Å²	14	60.1 Å²	60.1	7%	0.073	29%	0.287	C	S	.	.	H	α-helix	trans	-62.9	-34.8	174.9	-70.5	169.7	0	0	0	112.5	H27 V52 L192 R193 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.68Å; H27-L196 HydrophobicContact CB-CD2 4.02Å; H27-L196 HydrophobicContact CB-CG 4.43Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.46Å; V52-L196 HydrophobicContact CG1-CD2 4.05Å; L192-L196 HydrophobicContact CD1-CD1 3.83Å; L192-L196 HydrophobicContact CD1-CD2 4.36Å; L192-L196 HydrophobicContact CD1-CG 3.83Å; L192-L196 HydrophobicContact CG-CD1 4.02Å; L192-L196 HydrophobicContact CG-CG 4.47Å; L192-L196 WeakPolarHBondContact O-CB 3.48Å; L192-L196 VanDerWaalsContact O-CG 3.29Å; L192-L196 WeakPolarHBondContact O-CG 3.31Å; L192-L196 PolarHBondContact O-N 3.2Å; R193-L196 PolarHBondContact O-N 2.92Å; L196-K200 VanDerWaalsContact O-CA 3.24Å; L196-K200 WeakPolarHBondContact O-CA 3.39Å; L196-K200 WeakPolarHBondContact O-CB 3.23Å; L196-K200 PolarHBondContact O-N 2.81Å; L196-K200 VanDerWaalsContact O-N 3.17Å; L196-L203 HydrophobicContact CD2-CB 4.14Å; L196-L203 HydrophobicContact CD2-CD1 4.35Å; L196-Q204 PolarHBondContact O-NE2 3.36Å
197	E	95.3	Very high	94.6	Very high	126 Å²	126	62 Å²	62	59%	0.589	29%	0.29	S	S	*	.	H	α-helix	trans	-72.7	-47.5	174.4	-171.4	60.9	-150.6	0	0	111.2	R193 R194 Y195 G199 K200	R193-E197 PolarHBondContact O-N 3.25Å; R194-E197 PolarHBondContact O-N 2.83Å; Y195-E197 VanDerWaalsContact C-N 3.28Å; Y195-E197 PolarHBondContact O-N 3.11Å; E197-G199 VanDerWaalsContact C-N 3.35Å; E197-G199 PolarHBondContact O-N 2.87Å; E197-K200 WeakPolarHBondContact O-CB 3.32Å; E197-K200 PolarHBondContact O-N 3.49Å
198	N	96.1	Very high	94.5	Very high	54 Å²	54	65.2 Å²	65.2	29%	0.289	30%	0.301	S	S	.	.	H	α-helix	trans	-62.3	-40.7	179.6	-73.1	-3.8	0	0	0	112.7	W75 Q78 E79 R194 Y195	W75-N198 HydrophobicContact CB-CB 4.38Å; Q78-N198 VanDerWaalsContact NE2-CB 3.3Å; Q78-N198 PolarHBondContact NE2-ND2 2.73Å; Q78-N198 VanDerWaalsContact NE2-ND2 3.13Å; Q78-N198 PolarHBondContact NE2-OD1 2.9Å; E79-N198 PolarHBondContact OE1-ND2 2.92Å; R194-N198 VanDerWaalsContact O-CB 3.32Å; R194-N198 WeakPolarHBondContact O-CB 3.42Å; R194-N198 PolarHBondContact O-N 3.47Å; R194-N198 PolarHBondContact O-OD1 2.87Å; Y195-N198 PolarHBondContact O-N 2.81Å
199	G	95.1	Very high	94.5	Very high	3 Å²	3	65.4 Å²	65.4	3%	0.031	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	24.1	-177.3	0	0	0	0	0	113.1	Y195 E197 E201 T202 L203	Y195-G199 WeakPolarHBondContact O-CA 3.41Å; Y195-G199 PolarHBondContact O-N 2.91Å; E197-G199 VanDerWaalsContact C-N 3.35Å; E197-G199 PolarHBondContact O-N 2.87Å; G199-E201 PolarHBondContact O-N 3.11Å; G199-E201 VanDerWaalsContact O-N 3.16Å; G199-T202 PolarHBondContact O-N 3Å; G199-T202 PolarHBondContact O-OG1 2.81Å; G199-T202 VanDerWaalsContact O-OG1 3.05Å; G199-L203 WeakPolarHBondContact O-CB 3.44Å; G199-L203 PolarHBondContact O-N 3.43Å
200	K	92.7	Very high	94.4	Very high	112 Å²	112	71.9 Å²	71.9	49%	0.487	33%	0.33	S	S	.	.	H	α-helix	trans	-52.4	-41.1	-172.9	-177.1	173.5	-175.2	173.8	0	113.7	L196 E197 T202 Q204	L196-K200 VanDerWaalsContact O-CA 3.24Å; L196-K200 WeakPolarHBondContact O-CA 3.39Å; L196-K200 WeakPolarHBondContact O-CB 3.23Å; L196-K200 PolarHBondContact O-N 2.81Å; L196-K200 VanDerWaalsContact O-N 3.17Å; E197-K200 WeakPolarHBondContact O-CB 3.32Å; E197-K200 PolarHBondContact O-N 3.49Å; K200-T202 VanDerWaalsContact C-N 3.27Å; K200-T202 PolarHBondContact O-N 2.88Å; K200-Q204 WeakPolarHBondContact O-CB 3.39Å; K200-Q204 PolarHBondContact O-N 3.19Å
201	E	89.8	Confident	94.4	Very high	181 Å²	181	67.6 Å²	67.6	85%	0.846	31%	0.312	S	S	*	.	H	α-helix	trans	-67	-26.5	-179.5	-62.8	-174.6	167.1	0	0	113.4	G199	G199-E201 PolarHBondContact O-N 3.11Å; G199-E201 VanDerWaalsContact O-N 3.16Å
202	T	89.3	Confident	94.4	Very high	40 Å²	40	69.4 Å²	69.4	25%	0.245	32%	0.322	C	S	.	.	H	α-helix	trans	-104.7	-35.5	-176.2	52.7	0	0	0	0	113.6	W75 G199 K200 R205	W75-T202 VanDerWaalsContact CD1-OG1 3.31Å; G199-T202 PolarHBondContact O-N 3Å; G199-T202 PolarHBondContact O-OG1 2.81Å; G199-T202 VanDerWaalsContact O-OG1 3.05Å; K200-T202 VanDerWaalsContact C-N 3.27Å; K200-T202 PolarHBondContact O-N 2.88Å; T202-R205 WeakPolarHBondContact O-CD 3.49Å; T202-R205 VanDerWaalsContact O-CG 3.31Å; T202-R205 WeakPolarHBondContact O-CG 3.39Å; T202-R205 PolarHBondContact O-NE 2.85Å
203	L	91	Very high	94.4	Very high	4 Å²	4	70.5 Å²	70.5	2%	0.021	33%	0.329	C	S	.	.	H	α-helix	trans	-91.7	-29.4	-174.4	-63.1	171.7	0	0	0	112.9	V52 T55 W75 Y195 L196 G199	V52-L203 HydrophobicContact CB-CD1 4.28Å; V52-L203 HydrophobicContact CB-CD2 4.08Å; V52-L203 HydrophobicContact CG1-CD1 3.9Å; V52-L203 HydrophobicContact CG1-CD2 4.04Å; V52-L203 HydrophobicContact CG1-CG 4.49Å; T55-L203 HydrophobicContact CG2-CD2 4.1Å; W75-L203 HydrophobicContact CD2-CD1 4.46Å; W75-L203 HydrophobicContact CH2-CD1 4.3Å; W75-L203 HydrophobicContact CZ2-CD1 3.87Å; W75-L203 HydrophobicContact CZ2-CD2 4.14Å; W75-L203 HydrophobicContact CZ2-CG 4.39Å; Y195-L203 WeakPolarHBondContact O-CD1 3.35Å; L196-L203 HydrophobicContact CD2-CB 4.14Å; L196-L203 HydrophobicContact CD2-CD1 4.35Å; G199-L203 WeakPolarHBondContact O-CB 3.44Å; G199-L203 PolarHBondContact O-N 3.43Å
204	Q	88.3	Confident	94.4	Very high	90 Å²	90	66.2 Å²	66.2	42%	0.421	32%	0.316	S	S	.	.	S	Bend	trans	-102.3	19.9	178.4	-57.2	179.7	33.9	0	0	112	L196 K200	L196-Q204 PolarHBondContact O-NE2 3.36Å; K200-Q204 WeakPolarHBondContact O-CB 3.39Å; K200-Q204 PolarHBondContact O-N 3.19Å
205	R	88.9	Confident	94.4	Very high	92 Å²	92	62.9 Å²	62.9	35%	0.347	31%	0.306	S	S	.	.			trans	-92.2	146.2	171.4	77.4	-171.4	171.9	165.3	8.1	109.4	T202 E207 Y233	T202-R205 WeakPolarHBondContact O-CD 3.49Å; T202-R205 VanDerWaalsContact O-CG 3.31Å; T202-R205 WeakPolarHBondContact O-CG 3.39Å; T202-R205 PolarHBondContact O-NE 2.85Å; R205-E207 IonicContact CZ-OE1 2.72Å; R205-E207 IonicContact NE-OE1 3.14Å; R205-E207 PolarHBondContact NE-OE1 3.03Å; R205-E207 IonicContact NH1-OE1 3.83Å; R205-E207 PolarHBondContact NH1-OE1 3.21Å; R205-E207 VanDerWaalsContact NH1-OE1 3.11Å; R205-E207 IonicContact NH2-OE1 3.52Å; R205-Y233 HydrophobicContact CG-CD1 4.2Å; R205-Y233 WeakPolarHBondContact O-CD1 3.46Å
206	A	91.9	Very high	94.2	Very high	48 Å²	48	66.8 Å²	66.8	40%	0.397	32%	0.324	S	S	.	.			trans	-119.1	119.2	165.6	0	0	0	0	0	108.7	Y233	A206-Y233 CarbonylContact C-O 3.58Å; A206-Y233 WeakPolarHBondContact CA-O 3.28Å
207	E	94	Very high	94.1	Very high	63 Å²	63	70.9 Å²	70.9	29%	0.294	35%	0.351	S	S	.	.	B	Isolated β-bridge	trans	-96.6	118.8	174.6	-66.6	-170.7	-153	0	0	108.7	R205 F232 Y233 T264 H287	R205-E207 IonicContact CZ-OE1 2.72Å; R205-E207 IonicContact NE-OE1 3.14Å; R205-E207 PolarHBondContact NE-OE1 3.03Å; R205-E207 IonicContact NH1-OE1 3.83Å; R205-E207 PolarHBondContact NH1-OE1 3.21Å; R205-E207 VanDerWaalsContact NH1-OE1 3.11Å; R205-E207 IonicContact NH2-OE1 3.52Å; E207-F232 WeakPolarHBondContact O-CA 3.43Å; E207-F232 WeakPolarHBondContact O-CB 3.45Å; E207-Y233 PolarHBondContact N-O 3.12Å; E207-Y233 PolarHBondContact O-N 2.99Å; E207-Y233 VanDerWaalsContact O-N 3.08Å; E207-T264 WeakPolarHBondContact OE2-CG2 3.3Å; E207-H287 PolarHBondContact O-CE1 3.23Å; E207-H287 VanDerWaalsContact O-CE1 3.22Å
208	H	95.1	Very high	93.9	Very high	118 Å²	118	69.2 Å²	69.2	55%	0.546	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-70.3	146.2	-178.2	56.7	-107.4	0	0	0	111.9	K210 L290	H208-K210 PolarHBondContact O-N 3.21Å; H208-L290 HydrophobicContact CB-CD2 3.96Å
209	P	97.6	Very high	93.7	Very high	4 Å²	4	69.2 Å²	69.2	3%	0.026	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-67.9	132	177.5	27.8	-34.8	0	0	0	111.8	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 3.9Å; P209-T211 HydrophobicContact CG-CG2 4.1Å; P209-T211 PolarHBondContact O-N 2.95Å; P209-A229 HydrophobicContact CB-CB 3.87Å; P209-F232 HydrophobicContact CB-CB 3.87Å; P209-F232 HydrophobicContact CB-CD1 3.92Å; P209-F232 HydrophobicContact CB-CG 4.16Å; P209-I237 HydrophobicContact CB-CD1 4.02Å; P209-I237 HydrophobicContact CG-CD1 4.11Å; P209-V285 HydrophobicContact CG-CG1 3.97Å; P209-H287 HydrophobicContact CG-CB 4.12Å; P209-L290 HydrophobicContact CG-CD1 3.85Å; P209-L290 HydrophobicContact CG-CD2 4.44Å; P209-L290 HydrophobicContact CG-CG 4.21Å
210	K	97.9	Very high	93.5	Very high	145 Å²	145	76.2 Å²	76.2	63%	0.63	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.9	106.9	164.5	-64.2	173.5	-171.2	165.1	0	108.1	H208 L230	H208-K210 PolarHBondContact O-N 3.21Å; K210-L230 PolarHBondContact N-O 2.83Å; K210-L230 PolarHBondContact O-N 3.13Å; K210-L230 VanDerWaalsContact O-N 3.09Å
211	T	97.9	Very high	93.5	Very high	33 Å²	33	78 Å²	78	20%	0.202	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	141.7	-171.4	60.5	0	0	0	0	113.6	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 3.9Å; P209-T211 HydrophobicContact CG-CG2 4.1Å; P209-T211 PolarHBondContact O-N 2.95Å; T211-W228 WeakPolarHBondContact CA-O 3.47Å; T211-A229 HydrophobicContact CG2-CB 4.34Å; T211-V285 HydrophobicContact CG2-CB 4.42Å; T211-V285 HydrophobicContact CG2-CG1 4.14Å; T211-V285 HydrophobicContact CG2-CG2 4.07Å; T211-L294 HydrophobicContact CG2-CD1 4.28Å; T211-L296 VanDerWaalsContact CB-CD1 3.44Å; T211-L296 HydrophobicContact CG2-CD1 4.13Å; T211-L296 WeakPolarHBondContact OG1-CD1 3.46Å
212	H	97.1	Very high	93.7	Very high	82 Å²	82	73.9 Å²	73.9	38%	0.38	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	160	171.4	63.8	-75.2	0	0	0	111.2	W228	H212-W228 VanDerWaalsContact CE1-CB 3.42Å; H212-W228 WeakPolarHBondContact CE1-CB 3.37Å; H212-W228 AromaticContact CE1-CD1 3.92Å; H212-W228 AromaticContact CE1-CG 3.68Å; H212-W228 PolarHBondContact N-O 2.97Å; H212-W228 AromaticContact NE2-CD1 3.5Å; H212-W228 AromaticContact NE2-CG 3.74Å; H212-W228 PolarHBondContact O-N 3.21Å
213	V	98	Very high	94	Very high	24 Å²	24	72 Å²	72	15%	0.145	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	127.1	176.4	-179.2	0	0	0	0	109.3	L225 R226 C227 W241 L296 W298	V213-L225 HydrophobicContact CG1-CB 4.41Å; V213-L225 HydrophobicContact CG1-CD2 4.39Å; V213-R226 WeakPolarHBondContact CA-O 3.32Å; V213-C227 HydrophobicContact CG2-CB 4.42Å; V213-W241 HydrophobicContact CG1-CH2 3.85Å; V213-W241 HydrophobicContact CG1-CZ2 4.31Å; V213-W241 HydrophobicContact CG2-CH2 4.25Å; V213-L296 HydrophobicContact CG2-CB 3.87Å; V213-W298 HydrophobicContact CB-CB 4.45Å; V213-W298 HydrophobicContact CG1-CB 3.81Å
214	T	96.6	Very high	94.3	Very high	33 Å²	33	72.9 Å²	72.9	20%	0.202	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	149.4	174	53.3	0	0	0	0	110.4	H216 L225 R226 W228	T214-H216 PolarHBondContact OG1-CE1 3.48Å; T214-H216 VanDerWaalsContact OG1-CE1 3.3Å; T214-L225 WeakPolarHBondContact O-CA 3.36Å; T214-R226 PolarHBondContact N-O 3.2Å; T214-R226 PolarHBondContact O-N 3.09Å; T214-R226 WeakPolarHBondContact OG1-CB 3.5Å; T214-R226 PolarHBondContact OG1-O 3.16Å; T214-R226 VanDerWaalsContact OG1-O 3.13Å; T214-W228 PolarHBondContact OG1-NE1 3Å
215	H	95.8	Very high	94.7	Very high	53 Å²	53	68.6 Å²	68.6	25%	0.245	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	125.3	-179	168.9	-88.5	0	0	0	109.2	A223 L225 E278 W298	H215-A223 WeakPolarHBondContact NE2-CB 3.5Å; H215-L225 HydrophobicContact CB-CD2 3.98Å; H215-E278 IonicContact NE2-OE1 3.45Å; H215-W298 HydrophobicContact CB-CD2 4.1Å; H215-W298 HydrophobicContact CB-CG 4.13Å; H215-W298 HydrophobicContact CB-CZ2 4.01Å; H215-W298 AromaticContact CG-CE2 3.75Å; H215-W298 AromaticContact CG-CZ2 3.77Å; H215-W298 AromaticContact CG-NE1 3.98Å; H215-W298 AromaticContact ND1-CZ2 3.99Å
216	H	94.3	Very high	95.2	Very high	84 Å²	84	66.7 Å²	66.7	39%	0.389	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	106	-179.2	-58	84.3	0	0	0	108.7	T214 V218 A223 T224 R226	T214-H216 PolarHBondContact OG1-CE1 3.48Å; T214-H216 VanDerWaalsContact OG1-CE1 3.3Å; H216-V218 PolarHBondContact O-N 3.33Å; H216-A223 CarbonylContact O-C 3.5Å; H216-A223 WeakPolarHBondContact O-CA 3.3Å; H216-T224 PolarHBondContact N-O 3Å; H216-T224 PolarHBondContact O-N 3.12Å; H216-R226 PolarHBondContact CE1-NH1 2.63Å
217	P	93.6	Very high	95.5	Very high	99 Å²	99	64.4 Å²	64.4	64%	0.643	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.1	131.5	172.8	-19.1	29.6	0	0	0	110.4
218	V	91.3	Very high	95.7	Very high	92 Å²	92	63.8 Å²	63.8	56%	0.558	32%	0.324	S	S	*	.			trans	-104	-42	176	-179.5	0	0	0	0	109.9	H216 E222 T224	H216-V218 PolarHBondContact O-N 3.33Å; V218-E222 PolarHBondContact N-O 3.47Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.2Å
219	S	92.4	Very high	95.8	Very high	54 Å²	54	58.2 Å²	58.2	38%	0.378	30%	0.298	S	S	.	.	S	Bend	trans	-146.4	-178.1	174.8	73.2	0	0	0	0	110.4	H221 E222	S219-H221 PolarHBondContact O-N 3.49Å; S219-H221 PolarHBondContact OG-N 2.82Å; S219-H221 VanDerWaalsContact OG-N 3.16Å; S219-E222 PolarHBondContact N-O 2.96Å; S219-E222 VanDerWaalsContact O-O 3.08Å; S219-E222 PolarHBondContact OG-N 3.3Å
220	D	89.3	Confident	95.9	Very high	150 Å²	150	60.6 Å²	60.6	80%	0.802	31%	0.31	S	S	*	.	S	Bend	trans	-63.7	-21	172.7	-66	-23.8	0	0	0	112.5	S275	D220-S275 PolarHBondContact O-OG 3.2Å
221	H	92.6	Very high	95.8	Very high	148 Å²	148	54.5 Å²	54.5	69%	0.685	29%	0.289	S	S	*	.	S	Bend	trans	-106	-15	-174.5	-56.4	-50.6	0	0	0	113.9	S219 P274 S275	S219-H221 PolarHBondContact O-N 3.49Å; S219-H221 PolarHBondContact OG-N 2.82Å; S219-H221 VanDerWaalsContact OG-N 3.16Å; H221-P274 WeakPolarHBondContact O-CA 3.17Å; H221-S275 PolarHBondContact O-N 3.17Å; H221-S275 PolarHBondContact O-OG 2.85Å
222	E	95.1	Very high	95.8	Very high	95 Å²	95	53 Å²	53	44%	0.444	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	145.2	-171.6	-66.5	178.2	174.7	0	0	112.5	V218 S219 V272 V273 S275	V218-E222 PolarHBondContact N-O 3.47Å; S219-E222 PolarHBondContact N-O 2.96Å; S219-E222 VanDerWaalsContact O-O 3.08Å; S219-E222 PolarHBondContact OG-N 3.3Å; E222-V272 HydrophobicContact CB-CG1 4.13Å; E222-V272 HydrophobicContact CG-CG1 4.34Å; E222-V273 WeakPolarHBondContact CA-O 3.45Å; E222-S275 PolarHBondContact N-OG 2.84Å
223	A	95.5	Very high	95.7	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.008	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	155.7	171.6	0	0	0	0	0	110.9	H215 H216 V273	H215-A223 WeakPolarHBondContact NE2-CB 3.5Å; H216-A223 CarbonylContact O-C 3.5Å; H216-A223 WeakPolarHBondContact O-CA 3.3Å; A223-V273 HydrophobicContact CB-CG2 4.46Å; A223-V273 PolarHBondContact N-O 2.8Å; A223-V273 WeakPolarHBondContact O-CG2 3.5Å; A223-V273 PolarHBondContact O-N 3.13Å
224	T	97	Very high	95.6	Very high	22 Å²	22	49 Å²	49	14%	0.135	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	121.3	170.6	-54.5	0	0	0	0	109.7	H216 V218 A270 V271	H216-T224 PolarHBondContact N-O 3Å; H216-T224 PolarHBondContact O-N 3.12Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.2Å; T224-A270 HydrophobicContact CG2-CB 3.92Å; T224-V271 WeakPolarHBondContact CA-O 3.34Å
225	L	97.7	Very high	95.5	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	125.8	165.3	-64.2	-175.8	0	0	0	109	V213 T214 H215 W241 A270 V271 V273 E278 W298	V213-L225 HydrophobicContact CG1-CB 4.41Å; V213-L225 HydrophobicContact CG1-CD2 4.39Å; T214-L225 WeakPolarHBondContact O-CA 3.36Å; H215-L225 HydrophobicContact CB-CD2 3.98Å; L225-W241 HydrophobicContact CB-CH2 3.7Å; L225-W241 HydrophobicContact CB-CZ2 3.78Å; L225-W241 HydrophobicContact CB-CZ3 4.49Å; L225-W241 HydrophobicContact CD1-CH2 4.05Å; L225-W241 HydrophobicContact CD1-CZ3 4.22Å; L225-A270 CarbonylContact O-C 3.57Å; L225-A270 WeakPolarHBondContact O-CA 3.23Å; L225-V271 HydrophobicContact CB-CG1 4.22Å; L225-V271 PolarHBondContact N-O 3.08Å; L225-V271 PolarHBondContact O-N 3.38Å; L225-V273 HydrophobicContact CD1-CG1 4.03Å; L225-V273 HydrophobicContact CD1-CG2 4.08Å; L225-V273 HydrophobicContact CG-CG1 4.17Å; L225-V273 HydrophobicContact CG-CG2 3.85Å; L225-E278 HydrophobicContact CD1-CB 4.1Å; L225-E278 HydrophobicContact CD2-CB 4.46Å; L225-E278 HydrophobicContact CD2-CG 4.39Å; L225-W298 HydrophobicContact CD1-CB 4.48Å; L225-W298 HydrophobicContact CD2-CB 3.84Å; L225-W298 HydrophobicContact CD2-CD2 4.4Å; L225-W298 HydrophobicContact CD2-CG 3.99Å
226	R	98.1	Very high	95.5	Very high	53 Å²	53	50.9 Å²	50.9	20%	0.2	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	117.5	176.2	-178	-178.1	-62.7	117.4	2.9	110.5	V213 T214 H216 W228 W268 A269 A270	V213-R226 WeakPolarHBondContact CA-O 3.32Å; T214-R226 PolarHBondContact N-O 3.2Å; T214-R226 PolarHBondContact O-N 3.09Å; T214-R226 WeakPolarHBondContact OG1-CB 3.5Å; T214-R226 PolarHBondContact OG1-O 3.16Å; T214-R226 VanDerWaalsContact OG1-O 3.13Å; H216-R226 PolarHBondContact CE1-NH1 2.63Å; R226-W228 VanDerWaalsContact CD-CE2 3.41Å; R226-W228 HydrophobicContact CG-CZ2 4.42Å; R226-W268 HydrophobicContact CG-CB 4.01Å; R226-W268 HydrophobicContact CG-CD2 4.1Å; R226-W268 HydrophobicContact CG-CE3 3.87Å; R226-W268 HydrophobicContact CG-CG 4.22Å; R226-A269 WeakPolarHBondContact CA-O 3.34Å; R226-A270 HydrophobicContact CB-CB 4.03Å; R226-A270 HydrophobicContact CG-CB 4.13Å
227	C	98.3	Very high	95.6	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	121.8	175.3	-172.4	0	0	0	0	109.5	V213 W241 W268 A269 C283	V213-C227 HydrophobicContact CG2-CB 4.42Å; C227-W241 HydrophobicContact CB-CH2 4.45Å; C227-W241 HydrophobicContact CB-CZ2 3.63Å; C227-W268 CarbonylContact O-C 3.48Å; C227-W268 WeakPolarHBondContact O-CA 3.48Å; C227-W268 WeakPolarHBondContact O-CB 3.43Å; C227-A269 PolarHBondContact N-O 2.85Å; C227-A269 PolarHBondContact O-N 2.76Å; C227-C283 HydrophobicContact CB-CB 3.53Å; C227-C283 WeakPolarHBondContact CB-SG 3.41Å; C227-C283 WeakPolarHBondContact SG-CB 3.27Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.37Å
228	W	98.4	Very high	95.7	Very high	50 Å²	50	44.8 Å²	44.8	19%	0.189	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	141.1	179.9	-69.7	90.4	0	0	0	110.5	T211 H212 T214 R226 L230 W268	T211-W228 WeakPolarHBondContact CA-O 3.47Å; H212-W228 VanDerWaalsContact CE1-CB 3.42Å; H212-W228 WeakPolarHBondContact CE1-CB 3.37Å; H212-W228 AromaticContact CE1-CD1 3.92Å; H212-W228 AromaticContact CE1-CG 3.68Å; H212-W228 PolarHBondContact N-O 2.97Å; H212-W228 AromaticContact NE2-CD1 3.5Å; H212-W228 AromaticContact NE2-CG 3.74Å; H212-W228 PolarHBondContact O-N 3.21Å; T214-W228 PolarHBondContact OG1-NE1 3Å; R226-W228 VanDerWaalsContact CD-CE2 3.41Å; R226-W228 HydrophobicContact CG-CZ2 4.42Å; W228-L230 HydrophobicContact CE3-CD2 3.89Å; W228-L230 HydrophobicContact CZ3-CD2 4.43Å; W228-W268 HydrophobicContact CD2-CB 3.97Å; W228-W268 HydrophobicContact CD2-CG 4.46Å; W228-W268 HydrophobicContact CE3-CB 3.88Å; W228-W268 AromaticContact CE3-CD1 3.86Å; W228-W268 HydrophobicContact CE3-CG 4.17Å; W228-W268 HydrophobicContact CG-CB 4.4Å; W228-W268 AromaticContact CH2-CD1 3.66Å; W228-W268 HydrophobicContact CH2-CG 4.28Å; W228-W268 HydrophobicContact CZ3-CB 4.31Å; W228-W268 AromaticContact CZ3-CD1 3.4Å; W228-W268 HydrophobicContact CZ3-CG 4.09Å
229	A	98.4	Very high	96	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	124.3	162.1	0	0	0	0	0	107.8	P209 T211 F232 I237 L239 Q266 K267	P209-A229 HydrophobicContact CB-CB 3.87Å; T211-A229 HydrophobicContact CG2-CB 4.34Å; A229-F232 HydrophobicContact CB-CD1 4.05Å; A229-F232 HydrophobicContact CB-CE1 3.8Å; A229-F232 WeakPolarHBondContact O-CE1 3.49Å; A229-I237 HydrophobicContact CB-CD1 3.72Å; A229-L239 HydrophobicContact CB-CD1 4.04Å; A229-L239 HydrophobicContact CB-CD2 4.18Å; A229-Q266 VanDerWaalsContact O-CA 3.32Å; A229-Q266 WeakPolarHBondContact O-CA 3.34Å; A229-K267 PolarHBondContact N-O 3.13Å; A229-K267 PolarHBondContact O-N 3.44Å; A229-K267 VanDerWaalsContact O-O 3.07Å
230	L	98.2	Very high	96.2	Very high	54 Å²	54	39.9 Å²	39.9	28%	0.283	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	146.9	-174.4	-58.8	176.7	0	0	0	110.8	K210 W228 Q266	K210-L230 PolarHBondContact N-O 2.83Å; K210-L230 PolarHBondContact O-N 3.13Å; K210-L230 VanDerWaalsContact O-N 3.09Å; W228-L230 HydrophobicContact CE3-CD2 3.89Å; W228-L230 HydrophobicContact CZ3-CD2 4.43Å; L230-Q266 HydrophobicContact CD2-CB 3.57Å
231	G	97.2	Very high	96.6	Very high	18 Å²	18	32.9 Å²	32.9	19%	0.186	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	67.6	37.4	168.8	0	0	0	0	0	113.5	T264 F265	G231-T264 WeakPolarHBondContact CA-OG1 3.25Å; G231-F265 PolarHBondContact N-O 3.05Å
232	F	97	Very high	96.9	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	155.4	178.9	59	-90.6	0	0	0	112.1	E207 P209 A229 P234 I237 T257 T264 F265 K267 H287	E207-F232 WeakPolarHBondContact O-CA 3.43Å; E207-F232 WeakPolarHBondContact O-CB 3.45Å; P209-F232 HydrophobicContact CB-CB 3.87Å; P209-F232 HydrophobicContact CB-CD1 3.92Å; P209-F232 HydrophobicContact CB-CG 4.16Å; A229-F232 HydrophobicContact CB-CD1 4.05Å; A229-F232 HydrophobicContact CB-CE1 3.8Å; A229-F232 WeakPolarHBondContact O-CE1 3.49Å; F232-P234 WeakPolarHBondContact CD2-O 3.48Å; F232-I237 HydrophobicContact CD1-CD1 3.89Å; F232-I237 HydrophobicContact CD2-CB 4.26Å; F232-I237 HydrophobicContact CD2-CD1 3.96Å; F232-I237 HydrophobicContact CE1-CD1 3.82Å; F232-I237 HydrophobicContact CE1-CG2 4.43Å; F232-I237 HydrophobicContact CE2-CB 3.75Å; F232-I237 HydrophobicContact CE2-CD1 3.92Å; F232-I237 HydrophobicContact CE2-CG1 4.41Å; F232-I237 HydrophobicContact CE2-CG2 3.56Å; F232-I237 HydrophobicContact CG-CD1 3.97Å; F232-I237 HydrophobicContact CZ-CB 4.14Å; F232-I237 HydrophobicContact CZ-CD1 3.86Å; F232-I237 HydrophobicContact CZ-CG2 3.53Å; F232-T257 HydrophobicContact CE2-CG2 4.08Å; F232-T257 HydrophobicContact CZ-CG2 3.9Å; F232-T264 WeakPolarHBondContact O-CA 3.42Å; F232-F265 WeakPolarHBondContact CD1-O 3.44Å; F232-F265 HydrophobicContact CD2-CB 3.93Å; F232-F265 HydrophobicContact CE1-CB 4.31Å; F232-F265 WeakPolarHBondContact CE1-O 3.23Å; F232-F265 HydrophobicContact CE2-CB 3.47Å; F232-F265 VanDerWaalsContact CE2-CB 3.47Å; F232-F265 HydrophobicContact CE2-CG 4.49Å; F232-F265 HydrophobicContact CZ-CB 3.67Å; F232-F265 PolarHBondContact N-O 2.97Å; F232-F265 PolarHBondContact O-N 3.47Å; F232-K267 HydrophobicContact CE1-CB 4.38Å; F232-K267 HydrophobicContact CZ-CB 4.1Å; F232-H287 AromaticContact CD2-CD2 3.88Å; F232-H287 AromaticContact CD2-NE2 3.69Å
233	Y	95.3	Very high	96.8	Very high	4 Å²	4	26.6 Å²	26.6	2%	0.016	14%	0.135	C	C	.	.	B	Isolated β-bridge	trans	-151.5	135.2	174.1	178.3	-84.2	0	0	0	108.7	D54 T55 R205 A206 E207 G263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 4.09Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.5Å; T55-Y233 PolarHBondContact OG1-OH 2.98Å; R205-Y233 HydrophobicContact CG-CD1 4.2Å; R205-Y233 WeakPolarHBondContact O-CD1 3.46Å; A206-Y233 CarbonylContact C-O 3.58Å; A206-Y233 WeakPolarHBondContact CA-O 3.28Å; E207-Y233 PolarHBondContact N-O 3.12Å; E207-Y233 PolarHBondContact O-N 2.99Å; E207-Y233 VanDerWaalsContact O-N 3.08Å; Y233-G263 WeakPolarHBondContact CD2-O 3.34Å; Y233-F265 HydrophobicContact CD2-CD2 4.44Å; Y233-F265 AromaticContact CD2-CE2 3.97Å; Y233-F265 HydrophobicContact CD2-CE2 3.97Å; Y233-F265 HydrophobicContact CE2-CE2 4.45Å; Y233-H287 PolarHBondContact O-CE1 3.21Å
234	P	94.8	Very high	96.7	Very high	18 Å²	18	31.5 Å²	31.5	12%	0.117	16%	0.16	C	C	.	.	S	Bend	cis	-71.8	177.2	3.7	29.8	-36.4	0	0	0	113.5	D54 F232 E236 H287	D54-P234 VanDerWaalsContact OD2-CB 3.3Å; D54-P234 WeakPolarHBondContact OD2-CB 3.33Å; F232-P234 WeakPolarHBondContact CD2-O 3.48Å; P234-E236 VanDerWaalsContact C-N 3.3Å; P234-E236 PolarHBondContact O-N 3.47Å; P234-H287 PolarHBondContact O-NE2 3.26Å
235	A	96	Very high	96.3	Very high	13 Å²	13	32.7 Å²	32.7	11%	0.107	18%	0.178	C	C	.	.	S	Bend	trans	-69.2	-27.4	-175.1	0	0	0	0	0	113.5	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.25Å; D54-A235 VanDerWaalsContact CG-CB 3.48Å; D54-A235 VanDerWaalsContact OD2-CB 3.29Å; D54-A235 WeakPolarHBondContact OD2-CB 3.42Å; D54-A235 PolarHBondContact OD2-N 3.33Å; A235-I237 PolarHBondContact O-N 2.96Å; A235-T257 HydrophobicContact CB-CG2 4.37Å; A235-T257 WeakPolarHBondContact O-CG2 3.28Å; A235-F265 VanDerWaalsContact CA-CD2 3.49Å; A235-F265 HydrophobicContact CB-CD1 3.64Å; A235-F265 HydrophobicContact CB-CD2 3.65Å; A235-F265 HydrophobicContact CB-CE1 3.6Å; A235-F265 HydrophobicContact CB-CE2 3.62Å; A235-F265 HydrophobicContact CB-CG 3.68Å; A235-F265 HydrophobicContact CB-CZ 3.62Å
236	E	95.2	Very high	96	Very high	114 Å²	114	38.9 Å²	38.9	53%	0.533	21%	0.207	S	C	.	.			trans	-67.8	120.7	-178.5	-168.9	71.3	-152.6	0	0	109.8	W23 P234 H287	W23-E236 HydrophobicContact CE3-CB 4.24Å; W23-E236 HydrophobicContact CE3-CG 3.84Å; W23-E236 HydrophobicContact CH2-CB 4.05Å; W23-E236 HydrophobicContact CH2-CG 2.95Å; W23-E236 HydrophobicContact CZ2-CG 3.64Å; W23-E236 HydrophobicContact CZ3-CB 3.62Å; W23-E236 HydrophobicContact CZ3-CG 3.04Å; P234-E236 VanDerWaalsContact C-N 3.3Å; P234-E236 PolarHBondContact O-N 3.47Å; E236-H287 PolarHBondContact O-CD2 2.81Å
237	I	95.9	Very high	95.8	Very high	9 Å²	9	40.9 Å²	40.9	5%	0.046	22%	0.221	C	C	.	.			trans	-154	144.2	-176.4	-165.4	171.1	0	0	0	109.6	P209 A229 F232 A235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 4.02Å; P209-I237 HydrophobicContact CG-CD1 4.11Å; A229-I237 HydrophobicContact CB-CD1 3.72Å; F232-I237 HydrophobicContact CD1-CD1 3.89Å; F232-I237 HydrophobicContact CD2-CB 4.26Å; F232-I237 HydrophobicContact CD2-CD1 3.96Å; F232-I237 HydrophobicContact CE1-CD1 3.82Å; F232-I237 HydrophobicContact CE1-CG2 4.43Å; F232-I237 HydrophobicContact CE2-CB 3.75Å; F232-I237 HydrophobicContact CE2-CD1 3.92Å; F232-I237 HydrophobicContact CE2-CG1 4.41Å; F232-I237 HydrophobicContact CE2-CG2 3.56Å; F232-I237 HydrophobicContact CG-CD1 3.97Å; F232-I237 HydrophobicContact CZ-CB 4.14Å; F232-I237 HydrophobicContact CZ-CD1 3.86Å; F232-I237 HydrophobicContact CZ-CG2 3.53Å; A235-I237 PolarHBondContact O-N 2.96Å; I237-L239 HydrophobicContact CB-CD1 4.47Å; I237-L239 HydrophobicContact CD1-CD1 3.7Å; I237-L239 HydrophobicContact CG1-CD1 3.68Å; I237-L239 HydrophobicContact CG2-CD1 4.06Å; I237-K267 HydrophobicContact CG2-CB 4.24Å; I237-K267 HydrophobicContact CG2-CD 3.6Å; I237-V285 HydrophobicContact CD1-CG1 3.99Å; I237-V285 HydrophobicContact CG1-CG1 4.34Å; I237-Q286 VanDerWaalsContact CG1-O 3.29Å; I237-Q286 WeakPolarHBondContact CG1-O 3.5Å; I237-H287 HydrophobicContact CD1-CB 4.26Å; I237-H287 HydrophobicContact CG1-CB 4.04Å
238	T	96.8	Very high	95.5	Very high	46 Å²	46	42.4 Å²	42.4	28%	0.282	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	123.4	174.8	-60.6	0	0	0	0	110.7	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 4.09Å; T238-V285 WeakPolarHBondContact O-CA 3.43Å; T238-Q286 PolarHBondContact N-O 3.31Å; T238-Q286 PolarHBondContact O-N 3.39Å
239	L	97.4	Very high	94.9	Very high	5 Å²	5	45.1 Å²	45.1	3%	0.026	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	124.3	173	-86.1	63.9	0	0	0	108.7	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 4.04Å; A229-L239 HydrophobicContact CB-CD2 4.18Å; I237-L239 HydrophobicContact CB-CD1 4.47Å; I237-L239 HydrophobicContact CD1-CD1 3.7Å; I237-L239 HydrophobicContact CG1-CD1 3.68Å; I237-L239 HydrophobicContact CG2-CD1 4.06Å; L239-L254 HydrophobicContact CB-CD1 4.15Å; L239-K267 HydrophobicContact CD1-CD 4.26Å; L239-K267 HydrophobicContact CD2-CB 4.41Å; L239-K267 HydrophobicContact CD2-CG 4.48Å; L239-A269 HydrophobicContact CB-CB 4.04Å; L239-A269 HydrophobicContact CD2-CB 4.31Å; L239-H284 WeakPolarHBondContact CA-O 3.42Å; L239-V285 HydrophobicContact CD1-CG1 4.12Å; L239-V285 HydrophobicContact CG-CG2 4.33Å
240	T	96.9	Very high	94.3	Very high	38 Å²	38	54.1 Å²	54.1	23%	0.233	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	144.1	178.4	48.5	0	0	0	0	111	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 4.09Å; T240-C283 CarbonylContact O-C 3.57Å; T240-C283 WeakPolarHBondContact O-CA 3.41Å; T240-H284 PolarHBondContact N-O 3.35Å; T240-H284 PolarHBondContact O-N 3.37Å; T240-H284 WeakPolarHBondContact OG1-CB 3.49Å
241	W	97.7	Very high	93.6	Very high	2 Å²	2	56.8 Å²	56.8	1%	0.008	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	138.1	169	-82.6	107.1	0	0	0	109.8	V213 L225 C227 Q248 A269 V271 T282 C283	V213-W241 HydrophobicContact CG1-CH2 3.85Å; V213-W241 HydrophobicContact CG1-CZ2 4.31Å; V213-W241 HydrophobicContact CG2-CH2 4.25Å; L225-W241 HydrophobicContact CB-CH2 3.7Å; L225-W241 HydrophobicContact CB-CZ2 3.78Å; L225-W241 HydrophobicContact CB-CZ3 4.49Å; L225-W241 HydrophobicContact CD1-CH2 4.05Å; L225-W241 HydrophobicContact CD1-CZ3 4.22Å; C227-W241 HydrophobicContact CB-CH2 4.45Å; C227-W241 HydrophobicContact CB-CZ2 3.63Å; W241-Q248 HydrophobicContact CB-CB 4.27Å; W241-Q248 PolarHBondContact O-N 3.38Å; W241-A269 PolarHBondContact NE1-O 3.23Å; W241-V271 HydrophobicContact CB-CG1 4.37Å; W241-V271 HydrophobicContact CD2-CG1 3.63Å; W241-V271 HydrophobicContact CE3-CG1 4.07Å; W241-V271 HydrophobicContact CG-CB 4.18Å; W241-V271 HydrophobicContact CG-CG1 3.77Å; W241-V271 HydrophobicContact CZ2-CG1 4.34Å; W241-T282 WeakPolarHBondContact CA-O 3.47Å; W241-T282 VanDerWaalsContact CE3-C 3.41Å; W241-C283 HydrophobicContact CD2-CB 4.11Å; W241-C283 HydrophobicContact CE3-CB 4.01Å; W241-C283 HydrophobicContact CH2-CB 3.93Å; W241-C283 HydrophobicContact CZ2-CB 4.04Å; W241-C283 HydrophobicContact CZ3-CB 3.91Å
242	Q	97	Very high	93.4	Very high	39 Å²	39	57 Å²	57	18%	0.182	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	146.3	173.4	-68.6	-173.6	-9.4	0	0	110.5	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.54Å; Q242-E246 VanDerWaalsContact CA-O 3.25Å; Q242-E246 WeakPolarHBondContact CA-O 3.24Å; Q242-D247 VanDerWaalsContact CG-OD1 3.24Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.32Å; Q242-D247 PolarHBondContact NE2-OD1 3.04Å; Q242-Y281 CarbonylContact O-C 3.57Å; Q242-Y281 VanDerWaalsContact O-CA 3.27Å; Q242-Y281 WeakPolarHBondContact O-CA 3.49Å; Q242-T282 PolarHBondContact N-O 2.64Å; Q242-T282 PolarHBondContact O-N 3.17Å; Q242-H284 PolarHBondContact OE1-NE2 3.11Å; Q242-H284 VanDerWaalsContact OE1-NE2 3.1Å
243	W	95	Very high	93.4	Very high	73 Å²	73	62.6 Å²	62.6	28%	0.277	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	114.9	170	176.3	75.4	0	0	0	108.5	G245 E246 Q248 E277 R280 Y281	W243-G245 PolarHBondContact O-N 3.22Å; W243-E246 PolarHBondContact N-O 3.41Å; W243-E246 PolarHBondContact O-N 2.88Å; W243-Q248 HydrophobicContact CB-CG 3.97Å; W243-E277 PolarHBondContact NE1-OE2 3.44Å; W243-R280 VanDerWaalsContact CE2-NH2 3.28Å; W243-R280 VanDerWaalsContact CZ2-NH1 3.27Å; W243-R280 VanDerWaalsContact NE1-CZ 3.29Å; W243-Y281 HydrophobicContact CB-CD1 4.22Å; W243-Y281 HydrophobicContact CB-CE1 3.98Å; W243-Y281 AromaticContact CD1-CE2 3.55Å; W243-Y281 AromaticContact CD1-CZ 3.56Å; W243-Y281 HydrophobicContact CG-CE1 4.28Å
244	D	92.3	Very high	93.4	Very high	103 Å²	103	66.7 Å²	66.7	55%	0.551	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.9	30.4	-173.1	-69.4	-21	0	0	0	114.7	R280	D244-R280 PolarHBondContact N-O 3.05Å; D244-R280 IonicContact OD1-NE 2.88Å; D244-R280 IonicContact OD2-CZ 3.55Å; D244-R280 IonicContact OD2-NE 3.83Å; D244-R280 PolarHBondContact OD2-NE 2.89Å; D244-R280 IonicContact OD2-NH2 2.66Å; D244-R280 PolarHBondContact OD2-NH2 2.93Å
245	G	88.4	Confident	93.5	Very high	48 Å²	48	67.4 Å²	67.4	50%	0.495	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.8	-0.3	-179.8	0	0	0	0	0	115.4	W243	W243-G245 PolarHBondContact O-N 3.22Å
246	E	92.6	Very high	93.5	Very high	130 Å²	130	75 Å²	75	61%	0.607	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.5	127	175.3	-63.5	-170.9	167.6	0	0	111.8	Q242 W243 Q248	Q242-E246 CarbonylContact C-O 3.54Å; Q242-E246 VanDerWaalsContact CA-O 3.25Å; Q242-E246 WeakPolarHBondContact CA-O 3.24Å; W243-E246 PolarHBondContact N-O 3.41Å; W243-E246 PolarHBondContact O-N 2.88Å; E246-Q248 PolarHBondContact O-NE2 3.43Å
247	D	92.6	Very high	93.6	Very high	95 Å²	95	71.8 Å²	71.8	51%	0.508	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	132	-178.8	-69	-22.9	0	0	0	112.5	Q242	Q242-D247 VanDerWaalsContact CG-OD1 3.24Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.32Å; Q242-D247 PolarHBondContact NE2-OD1 3.04Å
248	Q	92.6	Very high	93.7	Very high	32 Å²	32	76 Å²	76	15%	0.15	39%	0.393	C	S	.	.			trans	-103.2	41.4	-177	-58.8	-59.6	-62.2	0	0	112.3	W241 W243 E246 Q250 D251 T252 Y281	W241-Q248 HydrophobicContact CB-CB 4.27Å; W241-Q248 PolarHBondContact O-N 3.38Å; W243-Q248 HydrophobicContact CB-CG 3.97Å; E246-Q248 PolarHBondContact O-NE2 3.43Å; Q248-Q250 VanDerWaalsContact C-N 3.33Å; Q248-Q250 PolarHBondContact O-N 3.34Å; Q248-D251 PolarHBondContact O-N 2.78Å; Q248-T252 VanDerWaalsContact O-CB 3.31Å; Q248-T252 WeakPolarHBondContact O-CB 3.44Å; Q248-T252 PolarHBondContact O-N 3.43Å; Q248-T252 VanDerWaalsContact O-N 3.14Å; Q248-T252 PolarHBondContact O-OG1 3.43Å; Q248-Y281 HydrophobicContact CG-CE1 4.39Å
249	T	85.5	Confident	93.7	Very high	107 Å²	107	78.2 Å²	78.2	66%	0.656	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-34.8	-168.9	-43.6	0	0	0	0	114
250	Q	85	Confident	93.6	Very high	188 Å²	188	80.3 Å²	80.3	88%	0.879	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-33.7	-177.9	-67.5	-174.3	6.8	0	0	113	Q248 T252	Q248-Q250 VanDerWaalsContact C-N 3.33Å; Q248-Q250 PolarHBondContact O-N 3.34Å; Q250-T252 VanDerWaalsContact C-N 3.33Å
251	D	84.5	Confident	93.4	Very high	111 Å²	111	82.2 Å²	82.2	59%	0.594	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	0.6	-177.7	-56.3	-53.7	0	0	0	112.6	Q248	Q248-D251 PolarHBondContact O-N 2.78Å
252	T	93	Very high	93.1	Very high	23 Å²	23	87.4 Å²	87.4	14%	0.141	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	120.1	178.9	-64.6	0	0	0	0	111	Q248 Q250 L254 A269 A270	Q248-T252 VanDerWaalsContact O-CB 3.31Å; Q248-T252 WeakPolarHBondContact O-CB 3.44Å; Q248-T252 PolarHBondContact O-N 3.43Å; Q248-T252 VanDerWaalsContact O-N 3.14Å; Q248-T252 PolarHBondContact O-OG1 3.43Å; Q250-T252 VanDerWaalsContact C-N 3.33Å; T252-L254 HydrophobicContact CG2-CB 4.42Å; T252-L254 PolarHBondContact O-N 3.17Å; T252-A269 HydrophobicContact CG2-CB 3.9Å; T252-A270 CarbonylContact C-O 3.53Å; T252-A270 VanDerWaalsContact CA-O 3.3Å; T252-A270 WeakPolarHBondContact CA-O 3.45Å
253	E	96	Very high	92.8	Very high	116 Å²	116	87.5 Å²	87.5	54%	0.542	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	105.9	163.1	-173.8	-173.9	-171.4	0	0	109	W268 A269 A270	E253-W268 HydrophobicContact CB-CZ3 4.24Å; E253-W268 HydrophobicContact CG-CH2 3.92Å; E253-W268 HydrophobicContact CG-CZ3 3.85Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.38Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.15Å; E253-A269 CarbonylContact O-C 3.57Å; E253-A269 WeakPolarHBondContact O-CA 3.23Å; E253-A270 HydrophobicContact CB-CB 4.4Å; E253-A270 PolarHBondContact N-O 3.49Å; E253-A270 PolarHBondContact O-N 3.08Å
254	L	96.3	Very high	92.9	Very high	90 Å²	90	84.4 Å²	84.4	47%	0.471	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	119.2	177.6	-174.4	68.4	0	0	0	110	L239 T252 K267 A269	L239-L254 HydrophobicContact CB-CD1 4.15Å; T252-L254 HydrophobicContact CG2-CB 4.42Å; T252-L254 PolarHBondContact O-N 3.17Å; L254-K267 HydrophobicContact CD1-CD 4.43Å; L254-A269 HydrophobicContact CD1-CB 3.68Å
255	V	96.3	Very high	93.2	Very high	33 Å²	33	80.7 Å²	80.7	20%	0.2	46%	0.462	C	S	.	.	P	Polyproline II helix	trans	-83.5	153	175	-64.7	0	0	0	0	112.2	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.42Å; V255-K267 VanDerWaalsContact O-CE 3.3Å; V255-K267 WeakPolarHBondContact O-CE 3.49Å; V255-K267 WeakPolarHBondContact O-CG 3.29Å; V255-K267 PolarHBondContact O-NZ 3.36Å; V255-W268 HydrophobicContact CB-CD2 4.5Å; V255-W268 HydrophobicContact CB-CZ2 4.39Å; V255-W268 HydrophobicContact CG1-CD2 3.97Å; V255-W268 HydrophobicContact CG1-CE3 4.27Å; V255-W268 HydrophobicContact CG1-CH2 3.55Å; V255-W268 HydrophobicContact CG1-CZ2 3.17Å; V255-W268 HydrophobicContact CG1-CZ3 4.07Å; V255-W268 HydrophobicContact CG2-CD2 3.75Å; V255-W268 HydrophobicContact CG2-CE3 4.47Å; V255-W268 HydrophobicContact CG2-CG 3.73Å; V255-W268 HydrophobicContact CG2-CZ2 4.39Å; V255-W268 WeakPolarHBondContact CG2-O 3.34Å; V255-W268 PolarHBondContact N-O 3.24Å
256	E	96.4	Very high	93.6	Very high	172 Å²	172	80.6 Å²	80.6	80%	0.804	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-57.1	147.6	167.4	-68.1	-175.8	173.5	0	0	111.1	R258	E256-R258 PolarHBondContact O-N 3.16Å
257	T	97.7	Very high	93.9	Very high	47 Å²	47	75.4 Å²	75.4	29%	0.288	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-68.5	130.8	174.6	-55.7	0	0	0	0	108.5	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.08Å; F232-T257 HydrophobicContact CZ-CG2 3.9Å; A235-T257 HydrophobicContact CB-CG2 4.37Å; A235-T257 WeakPolarHBondContact O-CG2 3.28Å; T257-F265 HydrophobicContact CG2-CB 3.78Å; T257-F265 HydrophobicContact CG2-CD1 3.95Å; T257-F265 HydrophobicContact CG2-CG 4.15Å; T257-K267 WeakPolarHBondContact OG1-CD 3.37Å; T257-K267 PolarHBondContact OG1-NZ 2.84Å; T257-K267 VanDerWaalsContact OG1-NZ 3.13Å
258	R	96.9	Very high	94.2	Very high	97 Å²	97	72.1 Å²	72.1	37%	0.366	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	144.8	-174.6	68	-167.5	-178.8	-171.7	3.8	111.3	E256 F265 Q266	E256-R258 PolarHBondContact O-N 3.16Å; R258-F265 WeakPolarHBondContact O-CA 3.34Å; R258-Q266 HydrophobicContact CG-CG 3.57Å; R258-Q266 PolarHBondContact N-O 2.88Å; R258-Q266 WeakPolarHBondContact O-CG 3.24Å; R258-Q266 PolarHBondContact O-N 3.43Å
259	P	96.9	Very high	94.4	Very high	93 Å²	93	70.6 Å²	70.6	60%	0.604	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.9	144.9	177.4	28.3	-34.4	0	0	0	111	F265	P259-F265 HydrophobicContact CB-CE1 4.32Å
260	A	96.2	Very high	95	Very high	49 Å²	49	65.6 Å²	65.6	41%	0.405	37%	0.367	S	S	.	.			trans	-88.3	-18.6	173.1	0	0	0	0	0	112.8	D262 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.46Å; A260-T264 WeakPolarHBondContact CB-O 3.36Å; A260-T264 PolarHBondContact N-O 3.27Å
261	G	92.4	Very high	95.6	Very high	78 Å²	78	56.7 Å²	56.7	80%	0.804	33%	0.325	S	S	*	.	S	Bend	trans	97.5	-5.8	178.6	0	0	0	0	0	114.9
262	D	92.1	Very high	96.2	Very high	111 Å²	111	55 Å²	55	59%	0.594	32%	0.319	S	S	*	.	S	Bend	trans	-106.9	14.7	176.5	60.7	-0.1	0	0	0	112.8	A260 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.46Å; D262-T264 VanDerWaalsContact C-N 3.34Å; D262-T264 WeakPolarHBondContact OD1-CB 3.22Å; D262-T264 PolarHBondContact OD1-N 3.01Å; D262-T264 PolarHBondContact OD1-OG1 3.07Å
263	G	90.9	Very high	96.3	Very high	42 Å²	42	54 Å²	54	43%	0.433	31%	0.313	S	S	.	.	S	Bend	trans	87.5	-2.2	-173.8	0	0	0	0	0	114.4	Y233	Y233-G263 WeakPolarHBondContact CD2-O 3.34Å
264	T	96.1	Very high	96.3	Very high	7 Å²	7	51 Å²	51	4%	0.043	30%	0.303	C	S	.	.			trans	-104.4	173.2	174.8	74.8	0	0	0	0	112.5	E207 G231 F232 A260 D262	E207-T264 WeakPolarHBondContact OE2-CG2 3.3Å; G231-T264 WeakPolarHBondContact CA-OG1 3.25Å; F232-T264 WeakPolarHBondContact O-CA 3.42Å; A260-T264 WeakPolarHBondContact CB-O 3.36Å; A260-T264 PolarHBondContact N-O 3.27Å; D262-T264 VanDerWaalsContact C-N 3.34Å; D262-T264 WeakPolarHBondContact OD1-CB 3.22Å; D262-T264 PolarHBondContact OD1-N 3.01Å; D262-T264 PolarHBondContact OD1-OG1 3.07Å
265	F	97.9	Very high	96.1	Very high	26 Å²	26	49.3 Å²	49.3	11%	0.114	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	162.7	-177.3	-63.7	-86.6	0	0	0	112.5	D54 G231 F232 Y233 A235 T257 R258 P259	D54-F265 HydrophobicContact CB-CE2 3.8Å; D54-F265 HydrophobicContact CB-CZ 3.72Å; G231-F265 PolarHBondContact N-O 3.05Å; F232-F265 WeakPolarHBondContact CD1-O 3.44Å; F232-F265 HydrophobicContact CD2-CB 3.93Å; F232-F265 HydrophobicContact CE1-CB 4.31Å; F232-F265 WeakPolarHBondContact CE1-O 3.23Å; F232-F265 HydrophobicContact CE2-CB 3.47Å; F232-F265 VanDerWaalsContact CE2-CB 3.47Å; F232-F265 HydrophobicContact CE2-CG 4.49Å; F232-F265 HydrophobicContact CZ-CB 3.67Å; F232-F265 PolarHBondContact N-O 2.97Å; F232-F265 PolarHBondContact O-N 3.47Å; Y233-F265 HydrophobicContact CD2-CD2 4.44Å; Y233-F265 AromaticContact CD2-CE2 3.97Å; Y233-F265 HydrophobicContact CD2-CE2 3.97Å; Y233-F265 HydrophobicContact CE2-CE2 4.45Å; A235-F265 VanDerWaalsContact CA-CD2 3.49Å; A235-F265 HydrophobicContact CB-CD1 3.64Å; A235-F265 HydrophobicContact CB-CD2 3.65Å; A235-F265 HydrophobicContact CB-CE1 3.6Å; A235-F265 HydrophobicContact CB-CE2 3.62Å; A235-F265 HydrophobicContact CB-CG 3.68Å; A235-F265 HydrophobicContact CB-CZ 3.62Å; T257-F265 HydrophobicContact CG2-CB 3.78Å; T257-F265 HydrophobicContact CG2-CD1 3.95Å; T257-F265 HydrophobicContact CG2-CG 4.15Å; R258-F265 WeakPolarHBondContact O-CA 3.34Å; P259-F265 HydrophobicContact CB-CE1 4.32Å
266	Q	98.1	Very high	95.8	Very high	45 Å²	45	50.9 Å²	50.9	21%	0.21	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	145.8	174.4	44	167.2	-21.7	0	0	110.1	A229 L230 R258	A229-Q266 VanDerWaalsContact O-CA 3.32Å; A229-Q266 WeakPolarHBondContact O-CA 3.34Å; L230-Q266 HydrophobicContact CD2-CB 3.57Å; R258-Q266 HydrophobicContact CG-CG 3.57Å; R258-Q266 PolarHBondContact N-O 2.88Å; R258-Q266 WeakPolarHBondContact O-CG 3.24Å; R258-Q266 PolarHBondContact O-N 3.43Å
267	K	98.5	Very high	95.7	Very high	22 Å²	22	45.7 Å²	45.7	10%	0.096	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	154.7	177.2	-161.7	-175	-171.5	68.9	0	109.1	A229 F232 I237 L239 L254 V255 T257	A229-K267 PolarHBondContact N-O 3.13Å; A229-K267 PolarHBondContact O-N 3.44Å; A229-K267 VanDerWaalsContact O-O 3.07Å; F232-K267 HydrophobicContact CE1-CB 4.38Å; F232-K267 HydrophobicContact CZ-CB 4.1Å; I237-K267 HydrophobicContact CG2-CB 4.24Å; I237-K267 HydrophobicContact CG2-CD 3.6Å; L239-K267 HydrophobicContact CD1-CD 4.26Å; L239-K267 HydrophobicContact CD2-CB 4.41Å; L239-K267 HydrophobicContact CD2-CG 4.48Å; L254-K267 HydrophobicContact CD1-CD 4.43Å; V255-K267 HydrophobicContact CG2-CG 4.42Å; V255-K267 VanDerWaalsContact O-CE 3.3Å; V255-K267 WeakPolarHBondContact O-CE 3.49Å; V255-K267 WeakPolarHBondContact O-CG 3.29Å; V255-K267 PolarHBondContact O-NZ 3.36Å; T257-K267 WeakPolarHBondContact OG1-CD 3.37Å; T257-K267 PolarHBondContact OG1-NZ 2.84Å; T257-K267 VanDerWaalsContact OG1-NZ 3.13Å
268	W	98.2	Very high	95.5	Very high	25 Å²	25	44.5 Å²	44.5	10%	0.095	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	156.7	169.5	58.9	-98.2	0	0	0	111.7	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 4.01Å; R226-W268 HydrophobicContact CG-CD2 4.1Å; R226-W268 HydrophobicContact CG-CE3 3.87Å; R226-W268 HydrophobicContact CG-CG 4.22Å; C227-W268 CarbonylContact O-C 3.48Å; C227-W268 WeakPolarHBondContact O-CA 3.48Å; C227-W268 WeakPolarHBondContact O-CB 3.43Å; W228-W268 HydrophobicContact CD2-CB 3.97Å; W228-W268 HydrophobicContact CD2-CG 4.46Å; W228-W268 HydrophobicContact CE3-CB 3.88Å; W228-W268 AromaticContact CE3-CD1 3.86Å; W228-W268 HydrophobicContact CE3-CG 4.17Å; W228-W268 HydrophobicContact CG-CB 4.4Å; W228-W268 AromaticContact CH2-CD1 3.66Å; W228-W268 HydrophobicContact CH2-CG 4.28Å; W228-W268 HydrophobicContact CZ3-CB 4.31Å; W228-W268 AromaticContact CZ3-CD1 3.4Å; W228-W268 HydrophobicContact CZ3-CG 4.09Å; E253-W268 HydrophobicContact CB-CZ3 4.24Å; E253-W268 HydrophobicContact CG-CH2 3.92Å; E253-W268 HydrophobicContact CG-CZ3 3.85Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.38Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.15Å; V255-W268 HydrophobicContact CB-CD2 4.5Å; V255-W268 HydrophobicContact CB-CZ2 4.39Å; V255-W268 HydrophobicContact CG1-CD2 3.97Å; V255-W268 HydrophobicContact CG1-CE3 4.27Å; V255-W268 HydrophobicContact CG1-CH2 3.55Å; V255-W268 HydrophobicContact CG1-CZ2 3.17Å; V255-W268 HydrophobicContact CG1-CZ3 4.07Å; V255-W268 HydrophobicContact CG2-CD2 3.75Å; V255-W268 HydrophobicContact CG2-CE3 4.47Å; V255-W268 HydrophobicContact CG2-CG 3.73Å; V255-W268 HydrophobicContact CG2-CZ2 4.39Å; V255-W268 WeakPolarHBondContact CG2-O 3.34Å; V255-W268 PolarHBondContact N-O 3.24Å; W268-A270 HydrophobicContact CE3-CB 3.92Å; W268-A270 HydrophobicContact CZ3-CB 3.62Å
269	A	98.1	Very high	95.4	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	131.2	173.8	0	0	0	0	0	108.4	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.34Å; C227-A269 PolarHBondContact N-O 2.85Å; C227-A269 PolarHBondContact O-N 2.76Å; L239-A269 HydrophobicContact CB-CB 4.04Å; L239-A269 HydrophobicContact CD2-CB 4.31Å; W241-A269 PolarHBondContact NE1-O 3.23Å; T252-A269 HydrophobicContact CG2-CB 3.9Å; E253-A269 CarbonylContact O-C 3.57Å; E253-A269 WeakPolarHBondContact O-CA 3.23Å; L254-A269 HydrophobicContact CD1-CB 3.68Å
270	A	97.7	Very high	95.3	Very high	2 Å²	2	43.7 Å²	43.7	2%	0.017	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	145.6	179.4	0	0	0	0	0	111.9	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.92Å; L225-A270 CarbonylContact O-C 3.57Å; L225-A270 WeakPolarHBondContact O-CA 3.23Å; R226-A270 HydrophobicContact CB-CB 4.03Å; R226-A270 HydrophobicContact CG-CB 4.13Å; T252-A270 CarbonylContact C-O 3.53Å; T252-A270 VanDerWaalsContact CA-O 3.3Å; T252-A270 WeakPolarHBondContact CA-O 3.45Å; E253-A270 HydrophobicContact CB-CB 4.4Å; E253-A270 PolarHBondContact N-O 3.49Å; E253-A270 PolarHBondContact O-N 3.08Å; W268-A270 HydrophobicContact CE3-CB 3.92Å; W268-A270 HydrophobicContact CZ3-CB 3.62Å
271	V	97.3	Very high	95.3	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.012	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	142	176	62.1	0	0	0	0	108.9	T224 L225 W241 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.34Å; L225-V271 HydrophobicContact CB-CG1 4.22Å; L225-V271 PolarHBondContact N-O 3.08Å; L225-V271 PolarHBondContact O-N 3.38Å; W241-V271 HydrophobicContact CB-CG1 4.37Å; W241-V271 HydrophobicContact CD2-CG1 3.63Å; W241-V271 HydrophobicContact CE3-CG1 4.07Å; W241-V271 HydrophobicContact CG-CB 4.18Å; W241-V271 HydrophobicContact CG-CG1 3.77Å; W241-V271 HydrophobicContact CZ2-CG1 4.34Å; V271-V273 HydrophobicContact CG1-CG1 3.77Å; V271-V273 HydrophobicContact CG2-CG1 4.36Å; V271-Y281 HydrophobicContact CG1-CD1 4.09Å; V271-Y281 HydrophobicContact CG1-CE1 4.49Å; V271-Y281 HydrophobicContact CG2-CD1 4.47Å; V271-Y281 HydrophobicContact CG2-CE1 4.11Å
272	V	96.6	Very high	95.6	Very high	76 Å²	76	39.1 Å²	39.1	46%	0.461	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	128.6	171.3	-178.6	0	0	0	0	107.9	E222	E222-V272 HydrophobicContact CB-CG1 4.13Å; E222-V272 HydrophobicContact CG-CG1 4.34Å
273	V	95.6	Very high	95.8	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.006	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	146.2	-174.8	-52.5	0	0	0	0	110.6	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.45Å; A223-V273 HydrophobicContact CB-CG2 4.46Å; A223-V273 PolarHBondContact N-O 2.8Å; A223-V273 WeakPolarHBondContact O-CG2 3.5Å; A223-V273 PolarHBondContact O-N 3.13Å; L225-V273 HydrophobicContact CD1-CG1 4.03Å; L225-V273 HydrophobicContact CD1-CG2 4.08Å; L225-V273 HydrophobicContact CG-CG1 4.17Å; L225-V273 HydrophobicContact CG-CG2 3.85Å; V271-V273 HydrophobicContact CG1-CG1 3.77Å; V271-V273 HydrophobicContact CG2-CG1 4.36Å; V273-E278 HydrophobicContact CG2-CG 3.91Å; V273-Y281 HydrophobicContact CB-CD2 3.95Å; V273-Y281 HydrophobicContact CB-CE2 3.62Å; V273-Y281 HydrophobicContact CG1-CD1 3.77Å; V273-Y281 HydrophobicContact CG1-CD2 3.55Å; V273-Y281 HydrophobicContact CG1-CE1 3.7Å; V273-Y281 HydrophobicContact CG1-CE2 3.48Å; V273-Y281 VanDerWaalsContact CG1-CE2 3.48Å; V273-Y281 HydrophobicContact CG1-CG 3.69Å
274	P	95.4	Very high	96.1	Very high	52 Å²	52	33.5 Å²	33.5	34%	0.338	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	139.2	170.3	-20.3	32.3	0	0	0	111.5	H221 G276 E277	H221-P274 WeakPolarHBondContact O-CA 3.17Å; P274-G276 PolarHBondContact O-N 3.34Å; P274-E277 HydrophobicContact CB-CB 4.34Å; P274-E277 HydrophobicContact CB-CG 4.18Å; P274-E277 PolarHBondContact O-N 3.37Å
275	S	91.6	Very high	96.2	Very high	56 Å²	56	33.1 Å²	33.1	39%	0.392	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	125.8	174.1	-65.5	0	0	0	0	110.7	D220 H221 E222 E278	D220-S275 PolarHBondContact O-OG 3.2Å; H221-S275 PolarHBondContact O-N 3.17Å; H221-S275 PolarHBondContact O-OG 2.85Å; E222-S275 PolarHBondContact N-OG 2.84Å; S275-E278 WeakPolarHBondContact CA-OE1 3.12Å
276	G	90.4	Very high	96.2	Very high	65 Å²	65	34.8 Å²	34.8	67%	0.67	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	92.2	-9.4	-178.5	0	0	0	0	0	115.1	P274 E278	P274-G276 PolarHBondContact O-N 3.34Å; G276-E278 WeakPolarHBondContact CA-OE2 3.16Å; G276-E278 VanDerWaalsContact N-CD 3.27Å; G276-E278 PolarHBondContact N-OE1 3.38Å; G276-E278 PolarHBondContact N-OE2 2.91Å
277	E	94.1	Very high	96	Very high	64 Å²	64	33.3 Å²	33.3	30%	0.299	18%	0.184	S	C	.	.			trans	-98.1	3.1	175.6	-65.6	-158.2	-156	0	0	113.5	W243 P274 Q279 R280 Y281	W243-E277 PolarHBondContact NE1-OE2 3.44Å; P274-E277 HydrophobicContact CB-CB 4.34Å; P274-E277 HydrophobicContact CB-CG 4.18Å; P274-E277 PolarHBondContact O-N 3.37Å; E277-Q279 PolarHBondContact O-N 2.84Å; E277-R280 WeakPolarHBondContact O-CB 3.37Å; E277-R280 PolarHBondContact O-N 2.87Å; E277-R280 IonicContact OE1-NH1 3.71Å; E277-R280 IonicContact OE2-CZ 3.19Å; E277-R280 IonicContact OE2-NH1 3.66Å; E277-R280 PolarHBondContact OE2-NH1 3.03Å; E277-Y281 HydrophobicContact CB-CE2 4.35Å; E277-Y281 WeakPolarHBondContact O-CD2 3.32Å
278	E	94.1	Very high	95.7	Very high	21 Å²	21	36 Å²	36	10%	0.098	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-58.4	-29.5	-170.6	-55	83.4	176.9	0	0	113	H215 L225 V273 S275 G276 R280 Y281 W298	H215-E278 IonicContact NE2-OE1 3.45Å; L225-E278 HydrophobicContact CD1-CB 4.1Å; L225-E278 HydrophobicContact CD2-CB 4.46Å; L225-E278 HydrophobicContact CD2-CG 4.39Å; V273-E278 HydrophobicContact CG2-CG 3.91Å; S275-E278 WeakPolarHBondContact CA-OE1 3.12Å; G276-E278 WeakPolarHBondContact CA-OE2 3.16Å; G276-E278 VanDerWaalsContact N-CD 3.27Å; G276-E278 PolarHBondContact N-OE1 3.38Å; G276-E278 PolarHBondContact N-OE2 2.91Å; E278-R280 VanDerWaalsContact C-N 3.28Å; E278-R280 PolarHBondContact O-N 3.28Å; E278-Y281 PolarHBondContact O-N 2.72Å; E278-W298 HydrophobicContact CB-CD2 4.46Å; E278-W298 HydrophobicContact CB-CE3 3.44Å; E278-W298 VanDerWaalsContact CB-CE3 3.44Å; E278-W298 HydrophobicContact CB-CZ3 3.8Å; E278-W298 HydrophobicContact CG-CE3 3.81Å; E278-W298 HydrophobicContact CG-CZ3 3.79Å
279	Q	94.2	Very high	95.3	Very high	89 Å²	89	35.7 Å²	35.7	42%	0.416	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-74.9	-15.8	-179.4	-63.2	-57.1	-51.4	0	0	114	E277 Y281 W298	E277-Q279 PolarHBondContact O-N 2.84Å; Q279-Y281 VanDerWaalsContact C-N 3.31Å; Q279-W298 PolarHBondContact NE2-O 2.96Å
280	R	95.6	Very high	95.1	Very high	85 Å²	85	36.9 Å²	36.9	32%	0.321	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-79.3	-18.8	174	-60.6	176.4	70.2	-170.3	2.4	112.1	W243 D244 E277 E278	W243-R280 VanDerWaalsContact CE2-NH2 3.28Å; W243-R280 VanDerWaalsContact CZ2-NH1 3.27Å; W243-R280 VanDerWaalsContact NE1-CZ 3.29Å; D244-R280 PolarHBondContact N-O 3.05Å; D244-R280 IonicContact OD1-NE 2.88Å; D244-R280 IonicContact OD2-CZ 3.55Å; D244-R280 IonicContact OD2-NE 3.83Å; D244-R280 PolarHBondContact OD2-NE 2.89Å; D244-R280 IonicContact OD2-NH2 2.66Å; D244-R280 PolarHBondContact OD2-NH2 2.93Å; E277-R280 WeakPolarHBondContact O-CB 3.37Å; E277-R280 PolarHBondContact O-N 2.87Å; E277-R280 IonicContact OE1-NH1 3.71Å; E277-R280 IonicContact OE2-CZ 3.19Å; E277-R280 IonicContact OE2-NH1 3.66Å; E277-R280 PolarHBondContact OE2-NH1 3.03Å; E278-R280 VanDerWaalsContact C-N 3.28Å; E278-R280 PolarHBondContact O-N 3.28Å
281	Y	96.6	Very high	94.7	Very high	18 Å²	18	43.1 Å²	43.1	7%	0.071	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	128.3	179.3	-69.2	-95.5	0	0	0	111.4	Q242 W243 Q248 V271 V273 E277 E278 Q279	Q242-Y281 CarbonylContact O-C 3.57Å; Q242-Y281 VanDerWaalsContact O-CA 3.27Å; Q242-Y281 WeakPolarHBondContact O-CA 3.49Å; W243-Y281 HydrophobicContact CB-CD1 4.22Å; W243-Y281 HydrophobicContact CB-CE1 3.98Å; W243-Y281 AromaticContact CD1-CE2 3.55Å; W243-Y281 AromaticContact CD1-CZ 3.56Å; W243-Y281 HydrophobicContact CG-CE1 4.28Å; Q248-Y281 HydrophobicContact CG-CE1 4.39Å; V271-Y281 HydrophobicContact CG1-CD1 4.09Å; V271-Y281 HydrophobicContact CG1-CE1 4.49Å; V271-Y281 HydrophobicContact CG2-CD1 4.47Å; V271-Y281 HydrophobicContact CG2-CE1 4.11Å; V273-Y281 HydrophobicContact CB-CD2 3.95Å; V273-Y281 HydrophobicContact CB-CE2 3.62Å; V273-Y281 HydrophobicContact CG1-CD1 3.77Å; V273-Y281 HydrophobicContact CG1-CD2 3.55Å; V273-Y281 HydrophobicContact CG1-CE1 3.7Å; V273-Y281 HydrophobicContact CG1-CE2 3.48Å; V273-Y281 VanDerWaalsContact CG1-CE2 3.48Å; V273-Y281 HydrophobicContact CG1-CG 3.69Å; E277-Y281 HydrophobicContact CB-CE2 4.35Å; E277-Y281 WeakPolarHBondContact O-CD2 3.32Å; E278-Y281 PolarHBondContact O-N 2.72Å; Q279-Y281 VanDerWaalsContact C-N 3.31Å
282	T	97.6	Very high	94.5	Very high	12 Å²	12	50.1 Å²	50.1	7%	0.074	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	132.7	174.6	47.2	0	0	0	0	110.8	W241 Q242 H284 T295 L296 R297	W241-T282 WeakPolarHBondContact CA-O 3.47Å; W241-T282 VanDerWaalsContact CE3-C 3.41Å; Q242-T282 PolarHBondContact N-O 2.64Å; Q242-T282 PolarHBondContact O-N 3.17Å; T282-H284 PolarHBondContact OG1-NE2 3.18Å; T282-T295 HydrophobicContact CG2-CG2 3.95Å; T282-L296 CarbonylContact C-O 3.42Å; T282-L296 WeakPolarHBondContact CA-O 3.44Å; T282-R297 HydrophobicContact CG2-CG 3.61Å; T282-R297 VanDerWaalsContact CG2-NE 3.26Å
283	C	97.8	Very high	94.4	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	127.7	169.6	173.1	0	0	0	0	109.5	C227 T240 W241 T295 L296	C227-C283 HydrophobicContact CB-CB 3.53Å; C227-C283 WeakPolarHBondContact CB-SG 3.41Å; C227-C283 WeakPolarHBondContact SG-CB 3.27Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.37Å; T240-C283 CarbonylContact O-C 3.57Å; T240-C283 WeakPolarHBondContact O-CA 3.41Å; W241-C283 HydrophobicContact CD2-CB 4.11Å; W241-C283 HydrophobicContact CE3-CB 4.01Å; W241-C283 HydrophobicContact CH2-CB 3.93Å; W241-C283 HydrophobicContact CZ2-CB 4.04Å; W241-C283 HydrophobicContact CZ3-CB 3.91Å; C283-T295 CarbonylContact O-C 3.55Å; C283-T295 WeakPolarHBondContact O-CA 3.3Å; C283-L296 HydrophobicContact CB-CB 4.26Å; C283-L296 PolarHBondContact N-O 3.47Å; C283-L296 PolarHBondContact O-N 2.78Å
284	H	97.5	Very high	94.4	Very high	35 Å²	35	52.5 Å²	52.5	16%	0.162	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	129.8	176.7	-65.9	-103.6	0	0	0	109.7	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.42Å; T240-H284 PolarHBondContact N-O 3.35Å; T240-H284 PolarHBondContact O-N 3.37Å; T240-H284 WeakPolarHBondContact OG1-CB 3.49Å; Q242-H284 PolarHBondContact OE1-NE2 3.11Å; Q242-H284 VanDerWaalsContact OE1-NE2 3.1Å; T282-H284 PolarHBondContact OG1-NE2 3.18Å; H284-L294 CarbonylContact C-O 3.5Å; H284-L294 WeakPolarHBondContact CA-O 3.2Å; H284-T295 PolarHBondContact CE1-OG1 2.91Å; H284-T295 PolarHBondContact ND1-OG1 3.13Å
285	V	97.7	Very high	94.5	Very high	0 Å²	0	54 Å²	54	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	121.9	-178.5	-174.3	0	0	0	0	109.1	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 3.97Å; T211-V285 HydrophobicContact CG2-CB 4.42Å; T211-V285 HydrophobicContact CG2-CG1 4.14Å; T211-V285 HydrophobicContact CG2-CG2 4.07Å; I237-V285 HydrophobicContact CD1-CG1 3.99Å; I237-V285 HydrophobicContact CG1-CG1 4.34Å; T238-V285 WeakPolarHBondContact O-CA 3.43Å; L239-V285 HydrophobicContact CD1-CG1 4.12Å; L239-V285 HydrophobicContact CG-CG2 4.33Å; V285-L290 HydrophobicContact CG1-CD1 4.27Å; V285-P293 WeakPolarHBondContact O-CA 3.33Å; V285-L294 HydrophobicContact CB-CB 4.33Å; V285-L294 PolarHBondContact N-O 3.46Å; V285-L294 PolarHBondContact O-N 2.9Å; V285-L296 HydrophobicContact CG2-CD1 3.88Å
286	Q	96.6	Very high	94.7	Very high	61 Å²	61	52.9 Å²	52.9	29%	0.285	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	130.8	174.4	-58.4	177.1	10.3	0	0	109.1	I237 T238 P293	I237-Q286 VanDerWaalsContact CG1-O 3.29Å; I237-Q286 WeakPolarHBondContact CG1-O 3.5Å; T238-Q286 PolarHBondContact N-O 3.31Å; T238-Q286 PolarHBondContact O-N 3.39Å; Q286-P293 HydrophobicContact CG-CB 3.96Å; Q286-P293 HydrophobicContact CG-CG 4.07Å
287	H	95	Very high	95	Very high	13 Å²	13	56.7 Å²	56.7	6%	0.06	29%	0.286	C	S	.	.			trans	-157.3	146.6	-178	-173.6	-101.4	0	0	0	108.9	E207 P209 F232 Y233 P234 E236 I237 G289 L290	E207-H287 PolarHBondContact O-CE1 3.23Å; E207-H287 VanDerWaalsContact O-CE1 3.22Å; P209-H287 HydrophobicContact CG-CB 4.12Å; F232-H287 AromaticContact CD2-CD2 3.88Å; F232-H287 AromaticContact CD2-NE2 3.69Å; Y233-H287 PolarHBondContact O-CE1 3.21Å; P234-H287 PolarHBondContact O-NE2 3.26Å; E236-H287 PolarHBondContact O-CD2 2.81Å; I237-H287 HydrophobicContact CD1-CB 4.26Å; I237-H287 HydrophobicContact CG1-CB 4.04Å; H287-G289 PolarHBondContact ND1-N 3.1Å; H287-G289 PolarHBondContact O-N 3.46Å; H287-L290 HydrophobicContact CB-CD1 3.98Å; H287-L290 HydrophobicContact CB-CG 4.2Å; H287-L290 WeakPolarHBondContact O-CB 3.39Å; H287-L290 PolarHBondContact O-N 2.72Å
288	E	91.1	Very high	95.1	Very high	79 Å²	79	55.8 Å²	55.8	37%	0.369	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-32.3	-179.7	-176.4	-178.7	178.3	0	0	112.9	L290	E288-L290 PolarHBondContact O-N 3.48Å
289	G	90.5	Very high	94.8	Very high	19 Å²	19	63.3 Å²	63.3	20%	0.196	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-5.4	177.4	0	0	0	0	0	114.5	H287	H287-G289 PolarHBondContact ND1-N 3.1Å; H287-G289 PolarHBondContact O-N 3.46Å
290	L	93.3	Very high	94.2	Very high	25 Å²	25	62.8 Å²	62.8	13%	0.131	32%	0.317	C	S	.	.			trans	-100.5	128.4	178.1	-66.3	170.6	0	0	0	110.6	H208 P209 V285 H287 E288 E292 L294	H208-L290 HydrophobicContact CB-CD2 3.96Å; P209-L290 HydrophobicContact CG-CD1 3.85Å; P209-L290 HydrophobicContact CG-CD2 4.44Å; P209-L290 HydrophobicContact CG-CG 4.21Å; V285-L290 HydrophobicContact CG1-CD1 4.27Å; H287-L290 HydrophobicContact CB-CD1 3.98Å; H287-L290 HydrophobicContact CB-CG 4.2Å; H287-L290 WeakPolarHBondContact O-CB 3.39Å; H287-L290 PolarHBondContact O-N 2.72Å; E288-L290 PolarHBondContact O-N 3.48Å; L290-E292 PolarHBondContact O-N 3.27Å; L290-L294 HydrophobicContact CD1-CD1 3.96Å; L290-L294 HydrophobicContact CD1-CG 3.85Å; L290-L294 HydrophobicContact CD2-CD1 3.68Å; L290-L294 HydrophobicContact CD2-CD2 4.47Å; L290-L294 HydrophobicContact CD2-CG 3.91Å; L290-L294 HydrophobicContact CG-CD1 4.5Å; L290-L294 HydrophobicContact CG-CG 4.49Å
291	P	90.9	Very high	92.8	Very high	132 Å²	132	63.5 Å²	63.5	86%	0.857	34%	0.335	S	S	*	.	S	Bend	trans	-66.3	-30.6	175.7	27.7	-34.3	0	0	0	112.1
292	E	92.1	Very high	90.6	Very high	150 Å²	150	68 Å²	68	70%	0.701	37%	0.369	S	S	*	.	S	Bend	trans	-141.2	148.6	174.7	-66.5	-177.2	178.7	0	0	109.5	L290 L294	L290-E292 PolarHBondContact O-N 3.27Å; E292-L294 PolarHBondContact O-N 2.82Å
293	P	94.8	Very high	88.2	Confident	66 Å²	66	74.9 Å²	74.9	43%	0.429	40%	0.4	S	S	.	.			trans	-54.2	136.2	174.2	-27.5	36.2	0	0	0	112.7	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.33Å; Q286-P293 HydrophobicContact CG-CB 3.96Å; Q286-P293 HydrophobicContact CG-CG 4.07Å
294	L	96.1	Very high	85.7	Confident	60 Å²	60	80 Å²	80	31%	0.314	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	139.2	176.2	-63.6	177.8	0	0	0	110.6	T211 H284 V285 L290 E292	T211-L294 HydrophobicContact CG2-CD1 4.28Å; H284-L294 CarbonylContact C-O 3.5Å; H284-L294 WeakPolarHBondContact CA-O 3.2Å; V285-L294 HydrophobicContact CB-CB 4.33Å; V285-L294 PolarHBondContact N-O 3.46Å; V285-L294 PolarHBondContact O-N 2.9Å; L290-L294 HydrophobicContact CD1-CD1 3.96Å; L290-L294 HydrophobicContact CD1-CG 3.85Å; L290-L294 HydrophobicContact CD2-CD1 3.68Å; L290-L294 HydrophobicContact CD2-CD2 4.47Å; L290-L294 HydrophobicContact CD2-CG 3.91Å; L290-L294 HydrophobicContact CG-CD1 4.5Å; L290-L294 HydrophobicContact CG-CG 4.49Å; E292-L294 PolarHBondContact O-N 2.82Å
295	T	97.1	Very high	83.5	Confident	83 Å²	83	84.7 Å²	84.7	51%	0.509	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	120.1	170.5	-56.3	0	0	0	0	109.2	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 3.95Å; C283-T295 CarbonylContact O-C 3.55Å; C283-T295 WeakPolarHBondContact O-CA 3.3Å; H284-T295 PolarHBondContact CE1-OG1 2.91Å; H284-T295 PolarHBondContact ND1-OG1 3.13Å
296	L	96.7	Very high	81.6	Confident	33 Å²	33	89.8 Å²	89.8	17%	0.173	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	140.7	-173.3	-61.7	154	0	0	0	110.1	T211 V213 T282 C283 V285	T211-L296 VanDerWaalsContact CB-CD1 3.44Å; T211-L296 HydrophobicContact CG2-CD1 4.13Å; T211-L296 WeakPolarHBondContact OG1-CD1 3.46Å; V213-L296 HydrophobicContact CG2-CB 3.87Å; T282-L296 CarbonylContact C-O 3.42Å; T282-L296 WeakPolarHBondContact CA-O 3.44Å; C283-L296 HydrophobicContact CB-CB 4.26Å; C283-L296 PolarHBondContact N-O 3.47Å; C283-L296 PolarHBondContact O-N 2.78Å; V285-L296 HydrophobicContact CG2-CD1 3.88Å
297	R	95.7	Very high	79.9	Confident	146 Å²	146	91 Å²	91	55%	0.551	50%	0.504	S	S	*	.			trans	-120.1	154.1	167.4	-70.2	-175.8	-178.9	164	0.4	109.3	T282 K299	T282-R297 HydrophobicContact CG2-CG 3.61Å; T282-R297 VanDerWaalsContact CG2-NE 3.26Å; R297-K299 PolarHBondContact O-N 3.06Å
298	W	95.3	Very high	78.3	Confident	45 Å²	45	96.1 Å²	96.1	17%	0.17	53%	0.53	C	S	.	.			trans	-63.8	127	168.4	171.2	60.4	0	0	0	110.2	V213 H215 L225 E278 Q279 P300	V213-W298 HydrophobicContact CB-CB 4.45Å; V213-W298 HydrophobicContact CG1-CB 3.81Å; H215-W298 HydrophobicContact CB-CD2 4.1Å; H215-W298 HydrophobicContact CB-CG 4.13Å; H215-W298 HydrophobicContact CB-CZ2 4.01Å; H215-W298 AromaticContact CG-CE2 3.75Å; H215-W298 AromaticContact CG-CZ2 3.77Å; H215-W298 AromaticContact CG-NE1 3.98Å; H215-W298 AromaticContact ND1-CZ2 3.99Å; L225-W298 HydrophobicContact CD1-CB 4.48Å; L225-W298 HydrophobicContact CD2-CB 3.84Å; L225-W298 HydrophobicContact CD2-CD2 4.4Å; L225-W298 HydrophobicContact CD2-CG 3.99Å; E278-W298 HydrophobicContact CB-CD2 4.46Å; E278-W298 HydrophobicContact CB-CE3 3.44Å; E278-W298 VanDerWaalsContact CB-CE3 3.44Å; E278-W298 HydrophobicContact CB-CZ3 3.8Å; E278-W298 HydrophobicContact CG-CE3 3.81Å; E278-W298 HydrophobicContact CG-CZ3 3.79Å; Q279-W298 PolarHBondContact NE2-O 2.96Å; W298-P300 HydrophobicContact CE3-CG 4.4Å; W298-P300 HydrophobicContact CH2-CB 4.29Å; W298-P300 HydrophobicContact CH2-CG 3.88Å; W298-P300 HydrophobicContact CZ2-CB 4.08Å; W298-P300 HydrophobicContact CZ2-CG 4.03Å; W298-P300 HydrophobicContact CZ3-CG 4.06Å
299	K	89.1	Confident	77.1	Confident	178 Å²	178	98.1 Å²	98.1	77%	0.774	55%	0.548	S	S	*	.			trans	-106.8	119.6	170.9	-70	-177.2	-179.9	177.3	0	108.3	R297 S301	R297-K299 PolarHBondContact O-N 3.06Å; K299-S301 PolarHBondContact O-N 2.87Å
300	P	81.2	Confident	76	Confident	78 Å²	78	99.4 Å²	99.4	51%	0.506	56%	0.561	S	S	.	*			trans	-54.7	131.6	171.2	-22	31.3	0	0	0	109.4	W298 S302	W298-P300 HydrophobicContact CE3-CG 4.4Å; W298-P300 HydrophobicContact CH2-CB 4.29Å; W298-P300 HydrophobicContact CH2-CG 3.88Å; W298-P300 HydrophobicContact CZ2-CB 4.08Å; W298-P300 HydrophobicContact CZ2-CG 4.03Å; W298-P300 HydrophobicContact CZ3-CG 4.06Å; P300-S302 PolarHBondContact O-N 2.99Å
301	S	66.3	Low	75.1	Confident	100 Å²	100	102.5 Å²	102.5	70%	0.699	58%	0.577	S	S	*	*			trans	-60.1	109.7	175.4	178.3	0	0	0	0	108.9	K299 Q303	K299-S301 PolarHBondContact O-N 2.87Å; S301-Q303 PolarHBondContact O-N 2.81Å
302	S	51.1	Low	74.4	Confident	112 Å²	112	100.5 Å²	100.5	78%	0.783	56%	0.562	S	S	*	*			trans	-79	64.2	165.5	61	0	0	0	0	108.4	P300 P304	P300-S302 PolarHBondContact O-N 2.99Å; S302-P304 WeakPolarHBondContact O-CD 3.47Å
303	Q	46	Very low	73.6	Confident	158 Å²	158	95.9 Å²	95.9	74%	0.738	55%	0.55	S	S	*	.			trans	-71.7	110.9	156	-87.6	-173.3	-19.7	0	0	105.6	S301 T305	S301-Q303 PolarHBondContact O-N 2.81Å; Q303-T305 PolarHBondContact O-N 3.32Å
304	P	46	Very low	73	Confident	107 Å²	107	94.4 Å²	94.4	70%	0.695	55%	0.546	S	S	*	.			trans	-59.8	115.7	165.8	25.2	-29.8	0	0	0	105.4	S302 I306	S302-P304 WeakPolarHBondContact O-CD 3.47Å; P304-I306 PolarHBondContact O-N 3.22Å
305	T	51.9	Low	72.5	Confident	133 Å²	133	96.8 Å²	96.8	82%	0.816	56%	0.559	S	S	*	*			trans	-61.7	87.5	161.4	-43.8	0	0	0	0	105	Q303 P307	Q303-T305 PolarHBondContact O-N 3.32Å; T305-P307 VanDerWaalsContact O-CD 3.3Å; T305-P307 WeakPolarHBondContact O-CD 3.34Å
306	I	57.3	Low	71.8	Confident	107 Å²	107	95.5 Å²	95.5	55%	0.549	56%	0.556	S	S	.	*			trans	-51.7	119.7	168.1	-62.7	175.9	0	0	0	103.4	P304 I308 I311	P304-I306 PolarHBondContact O-N 3.22Å; I306-I308 PolarHBondContact O-N 2.99Å; I306-I311 HydrophobicContact CG2-CD1 3.72Å
307	P	59.6	Low	71.3	Confident	86 Å²	86	98.1 Å²	98.1	56%	0.558	57%	0.574	S	S	*	*			trans	-72.9	81	-176.1	29	-32.8	0	0	0	107.2	T305 V309 G310 I311	T305-P307 VanDerWaalsContact O-CD 3.3Å; T305-P307 WeakPolarHBondContact O-CD 3.34Å; P307-V309 PolarHBondContact O-N 3.36Å; P307-V309 VanDerWaalsContact O-N 3.15Å; P307-G310 WeakPolarHBondContact O-CA 3.49Å; P307-G310 PolarHBondContact O-N 3.41Å; P307-I311 PolarHBondContact O-N 2.8Å; P307-I311 VanDerWaalsContact O-N 3.12Å
308	I	62.8	Low	70.8	Confident	121 Å²	121	96.6 Å²	96.6	62%	0.621	58%	0.576	S	S	*	*	H	α-helix	trans	-54.5	-35.3	178.9	-67.6	164.9	0	0	0	108.7	I306 G310 I311 V312	I306-I308 PolarHBondContact O-N 2.99Å; I308-G310 PolarHBondContact O-N 2.82Å; I308-I311 PolarHBondContact O-N 3.25Å; I308-V312 HydrophobicContact CG2-CG2 4.26Å; I308-V312 WeakPolarHBondContact O-CB 3.41Å; I308-V312 WeakPolarHBondContact O-CG2 3.38Å; I308-V312 PolarHBondContact O-N 3.02Å
309	V	65	Low	70.3	Confident	122 Å²	122	97 Å²	97	74%	0.739	59%	0.589	S	S	*	*	H	α-helix	trans	-61.6	-41.1	173.6	-179.5	0	0	0	0	112.5	P307 A313	P307-V309 PolarHBondContact O-N 3.36Å; P307-V309 VanDerWaalsContact O-N 3.15Å; V309-A313 VanDerWaalsContact O-CB 3.25Å; V309-A313 WeakPolarHBondContact O-CB 3.44Å; V309-A313 PolarHBondContact O-N 3.5Å
310	G	67.2	Low	70.1	Confident	45 Å²	45	92.8 Å²	92.8	46%	0.464	58%	0.578	S	S	.	*	H	α-helix	trans	-68.6	-38.1	178.8	0	0	0	0	0	112.9	P307 I308 G314	P307-G310 WeakPolarHBondContact O-CA 3.49Å; P307-G310 PolarHBondContact O-N 3.41Å; I308-G310 PolarHBondContact O-N 2.82Å; G310-G314 PolarHBondContact O-N 3.11Å
311	I	74.2	Confident	70.4	Confident	90 Å²	90	94 Å²	94	46%	0.462	58%	0.579	S	S	.	*	H	α-helix	trans	-69.4	-44.4	176.3	-62	174.2	0	0	0	110.5	I306 P307 I308 G314 L315	I306-I311 HydrophobicContact CG2-CD1 3.72Å; P307-I311 PolarHBondContact O-N 2.8Å; P307-I311 VanDerWaalsContact O-N 3.12Å; I308-I311 PolarHBondContact O-N 3.25Å; I311-G314 PolarHBondContact O-N 3.47Å; I311-L315 HydrophobicContact CG2-CD1 3.99Å; I311-L315 HydrophobicContact CG2-CG 4.48Å; I311-L315 WeakPolarHBondContact O-CB 3.44Å; I311-L315 WeakPolarHBondContact O-CG 3.15Å; I311-L315 PolarHBondContact O-N 2.85Å
312	V	76.3	Confident	71.2	Confident	90 Å²	90	92.3 Å²	92.3	55%	0.545	57%	0.572	S	S	.	*	H	α-helix	trans	-65	-43	178.3	172.5	0	0	0	0	111.3	I308 L315 A316	I308-V312 HydrophobicContact CG2-CG2 4.26Å; I308-V312 WeakPolarHBondContact O-CB 3.41Å; I308-V312 WeakPolarHBondContact O-CG2 3.38Å; I308-V312 PolarHBondContact O-N 3.02Å; V312-L315 PolarHBondContact O-N 3.48Å; V312-A316 WeakPolarHBondContact O-CB 3.41Å; V312-A316 PolarHBondContact O-N 3.26Å
313	A	76.1	Confident	72.7	Confident	54 Å²	54	91.4 Å²	91.4	45%	0.446	56%	0.562	S	S	.	*	H	α-helix	trans	-63.2	-43.2	175.2	0	0	0	0	0	111.9	V309 A316 V317	V309-A313 VanDerWaalsContact O-CB 3.25Å; V309-A313 WeakPolarHBondContact O-CB 3.44Å; V309-A313 PolarHBondContact O-N 3.5Å; A313-A316 PolarHBondContact O-N 3.37Å; A313-V317 WeakPolarHBondContact O-CG2 3.21Å; A313-V317 PolarHBondContact O-N 2.9Å
314	G	82.1	Confident	74.4	Confident	35 Å²	35	88.8 Å²	88.8	36%	0.361	55%	0.552	S	S	.	*	H	α-helix	trans	-61.9	-43.5	176.8	0	0	0	0	0	113.1	G310 I311 V317 L318	G310-G314 PolarHBondContact O-N 3.11Å; I311-G314 PolarHBondContact O-N 3.47Å; G314-V317 PolarHBondContact O-N 3.42Å; G314-L318 PolarHBondContact O-N 2.69Å
315	L	85.9	Confident	76.1	Confident	109 Å²	109	85.7 Å²	85.7	57%	0.571	54%	0.539	S	S	*	.	H	α-helix	trans	-66.7	-38.6	176.8	-72.9	172	0	0	0	112.3	I311 V312 L318 A319	I311-L315 HydrophobicContact CG2-CD1 3.99Å; I311-L315 HydrophobicContact CG2-CG 4.48Å; I311-L315 WeakPolarHBondContact O-CB 3.44Å; I311-L315 WeakPolarHBondContact O-CG 3.15Å; I311-L315 PolarHBondContact O-N 2.85Å; V312-L315 PolarHBondContact O-N 3.48Å; L315-L318 PolarHBondContact O-N 3.3Å; L315-A319 WeakPolarHBondContact O-CB 3.29Å; L315-A319 PolarHBondContact O-N 3.34Å
316	A	82.9	Confident	77.4	Confident	56 Å²	56	82 Å²	82	46%	0.463	52%	0.522	S	S	.	.	H	α-helix	trans	-63.2	-43.3	175.7	0	0	0	0	0	111.7	V312 A313 A319 V320	V312-A316 WeakPolarHBondContact O-CB 3.41Å; V312-A316 PolarHBondContact O-N 3.26Å; A313-A316 PolarHBondContact O-N 3.37Å; A316-A319 PolarHBondContact O-N 3.02Å; A316-V320 WeakPolarHBondContact O-CG2 3.36Å; A316-V320 PolarHBondContact O-N 3.27Å
317	V	85.4	Confident	78.3	Confident	89 Å²	89	82.6 Å²	82.6	54%	0.539	53%	0.525	S	S	.	.	H	α-helix	trans	-63.6	-44	176.5	172.9	0	0	0	0	111.2	A313 G314 A319 V320 L321	A313-V317 WeakPolarHBondContact O-CG2 3.21Å; A313-V317 PolarHBondContact O-N 2.9Å; G314-V317 PolarHBondContact O-N 3.42Å; V317-A319 VanDerWaalsContact C-N 3.35Å; V317-A319 PolarHBondContact O-N 2.72Å; V317-V320 PolarHBondContact O-N 3.14Å; V317-L321 HydrophobicContact CG1-CD1 3.96Å; V317-L321 HydrophobicContact CG1-CG 4.39Å; V317-L321 WeakPolarHBondContact O-CG 3.36Å; V317-L321 PolarHBondContact O-N 3.08Å
318	L	85.3	Confident	79	Confident	113 Å²	113	82.8 Å²	82.8	59%	0.592	52%	0.524	S	S	*	.	H	α-helix	trans	-61.3	-41.4	176.5	-84.4	165.2	0	0	0	112.5	G314 L315 L321 A322	G314-L318 PolarHBondContact O-N 2.69Å; L315-L318 PolarHBondContact O-N 3.3Å; L318-L321 PolarHBondContact O-N 3.21Å; L318-A322 WeakPolarHBondContact O-CB 3.32Å; L318-A322 PolarHBondContact O-N 3.18Å
319	A	84.9	Confident	79.5	Confident	55 Å²	55	79.5 Å²	79.5	46%	0.455	52%	0.515	S	S	.	.	H	α-helix	trans	-63.2	-43.7	176.3	0	0	0	0	0	111.7	L315 A316 V317 A322 V323	L315-A319 WeakPolarHBondContact O-CB 3.29Å; L315-A319 PolarHBondContact O-N 3.34Å; A316-A319 PolarHBondContact O-N 3.02Å; V317-A319 VanDerWaalsContact C-N 3.35Å; V317-A319 PolarHBondContact O-N 2.72Å; A319-A322 PolarHBondContact O-N 3.47Å; A319-V323 WeakPolarHBondContact O-CG2 3.38Å; A319-V323 PolarHBondContact O-N 3.24Å
320	V	85.7	Confident	79.9	Confident	88 Å²	88	77.3 Å²	77.3	53%	0.533	50%	0.502	S	S	.	.	H	α-helix	trans	-62.5	-44.5	176.5	172.1	0	0	0	0	111.1	A316 V317 A322 V323 L324	A316-V320 WeakPolarHBondContact O-CG2 3.36Å; A316-V320 PolarHBondContact O-N 3.27Å; V317-V320 PolarHBondContact O-N 3.14Å; V320-A322 VanDerWaalsContact C-N 3.35Å; V320-A322 PolarHBondContact O-N 3.09Å; V320-V323 PolarHBondContact O-N 3.01Å; V320-L324 HydrophobicContact CG1-CD1 3.95Å; V320-L324 HydrophobicContact CG1-CG 4.49Å; V320-L324 WeakPolarHBondContact O-CG 3.41Å; V320-L324 PolarHBondContact O-N 2.72Å
321	L	85.9	Confident	80.2	Confident	103 Å²	103	79.2 Å²	79.2	54%	0.539	50%	0.504	S	S	.	.	H	α-helix	trans	-64.3	-38.5	177.7	-71.5	173.6	0	0	0	112.3	V317 L318 L324 G325	V317-L321 HydrophobicContact CG1-CD1 3.96Å; V317-L321 HydrophobicContact CG1-CG 4.39Å; V317-L321 WeakPolarHBondContact O-CG 3.36Å; V317-L321 PolarHBondContact O-N 3.08Å; L318-L321 PolarHBondContact O-N 3.21Å; L321-L324 PolarHBondContact O-N 3.42Å; L321-G325 PolarHBondContact O-N 2.87Å
322	A	83.4	Confident	80.1	Confident	66 Å²	66	81.1 Å²	81.1	55%	0.545	51%	0.512	S	S	.	.	H	α-helix	trans	-64.2	-42.1	175.7	0	0	0	0	0	111.9	L318 A319 V320 G325 A326	L318-A322 WeakPolarHBondContact O-CB 3.32Å; L318-A322 PolarHBondContact O-N 3.18Å; A319-A322 PolarHBondContact O-N 3.47Å; V320-A322 VanDerWaalsContact C-N 3.35Å; V320-A322 PolarHBondContact O-N 3.09Å; A322-G325 PolarHBondContact O-N 2.99Å; A322-A326 WeakPolarHBondContact O-CB 3.17Å; A322-A326 PolarHBondContact O-N 3.34Å
323	V	82.7	Confident	79.3	Confident	93 Å²	93	81.1 Å²	81.1	56%	0.564	52%	0.515	S	S	*	.	H	α-helix	trans	-64.8	-44.3	176.1	173.2	0	0	0	0	111	A319 V320 A326 M327	A319-V323 WeakPolarHBondContact O-CG2 3.38Å; A319-V323 PolarHBondContact O-N 3.24Å; V320-V323 PolarHBondContact O-N 3.01Å; V323-A326 PolarHBondContact O-N 2.95Å; V323-M327 HydrophobicContact CG1-CG 4.47Å; V323-M327 WeakPolarHBondContact O-CB 3.4Å; V323-M327 VanDerWaalsContact O-CG 3.23Å; V323-M327 WeakPolarHBondContact O-CG 3.25Å; V323-M327 PolarHBondContact O-N 2.9Å
324	L	82.7	Confident	78.6	Confident	102 Å²	102	87.6 Å²	87.6	53%	0.534	53%	0.528	S	S	.	.	H	α-helix	trans	-62.9	-42.8	175.9	-72.1	170	0	0	0	111.7	V320 L321 A326 M327 V328	V320-L324 HydrophobicContact CG1-CD1 3.95Å; V320-L324 HydrophobicContact CG1-CG 4.49Å; V320-L324 WeakPolarHBondContact O-CG 3.41Å; V320-L324 PolarHBondContact O-N 2.72Å; L321-L324 PolarHBondContact O-N 3.42Å; L324-A326 PolarHBondContact O-N 3.32Å; L324-M327 PolarHBondContact O-N 3.21Å; L324-V328 WeakPolarHBondContact O-CG2 3.42Å; L324-V328 PolarHBondContact O-N 3.28Å
325	G	81.3	Confident	77.4	Confident	42 Å²	42	96 Å²	96	43%	0.433	55%	0.549	S	S	.	.	H	α-helix	trans	-60.5	-43.6	175.1	0	0	0	0	0	112.6	L321 A322 V328 A329	L321-G325 PolarHBondContact O-N 2.87Å; A322-G325 PolarHBondContact O-N 2.99Å; G325-V328 PolarHBondContact O-N 3.06Å; G325-A329 WeakPolarHBondContact O-CB 3.08Å; G325-A329 PolarHBondContact O-N 3.06Å
326	A	78.6	Confident	75.7	Confident	55 Å²	55	99.5 Å²	99.5	46%	0.455	56%	0.56	S	S	.	*	H	α-helix	trans	-63.8	-41.7	175.3	0	0	0	0	0	112.1	A322 V323 L324 A329 V330	A322-A326 WeakPolarHBondContact O-CB 3.17Å; A322-A326 PolarHBondContact O-N 3.34Å; V323-A326 PolarHBondContact O-N 2.95Å; L324-A326 PolarHBondContact O-N 3.32Å; A326-A329 PolarHBondContact O-N 2.93Å; A326-V330 VanDerWaalsContact O-CG2 3.31Å; A326-V330 WeakPolarHBondContact O-CG2 3.46Å; A326-V330 PolarHBondContact O-N 3.37Å
327	M	75.5	Confident	74.2	Confident	121 Å²	121	101.3 Å²	101.3	60%	0.596	57%	0.569	S	S	*	*	H	α-helix	trans	-62.7	-43.3	176.4	-72.4	-75.8	-83.1	0	0	111.8	V323 L324 V330 V331	V323-M327 HydrophobicContact CG1-CG 4.47Å; V323-M327 WeakPolarHBondContact O-CB 3.4Å; V323-M327 VanDerWaalsContact O-CG 3.23Å; V323-M327 WeakPolarHBondContact O-CG 3.25Å; V323-M327 PolarHBondContact O-N 2.9Å; L324-M327 PolarHBondContact O-N 3.21Å; M327-V330 PolarHBondContact O-N 2.94Å; M327-V331 VanDerWaalsContact O-CG2 3.29Å; M327-V331 WeakPolarHBondContact O-CG2 3.46Å; M327-V331 PolarHBondContact O-N 3.09Å
328	V	76.3	Confident	72.5	Confident	89 Å²	89	102 Å²	102	54%	0.539	58%	0.578	S	S	.	*	H	α-helix	trans	-63.3	-43.6	175.1	173	0	0	0	0	111	L324 G325 V330 V331 M332	L324-V328 WeakPolarHBondContact O-CG2 3.42Å; L324-V328 PolarHBondContact O-N 3.28Å; G325-V328 PolarHBondContact O-N 3.06Å; V328-V330 PolarHBondContact O-N 3.47Å; V328-V331 PolarHBondContact O-N 3.39Å; V328-M332 HydrophobicContact CG1-CG 4.38Å; V328-M332 HydrophobicContact CG1-SD 4.16Å; V328-M332 WeakPolarHBondContact O-CB 3.29Å; V328-M332 WeakPolarHBondContact O-CG 3.16Å; V328-M332 PolarHBondContact O-N 3.41Å
329	A	73.3	Confident	70.6	Confident	52 Å²	52	99.7 Å²	99.7	43%	0.43	58%	0.581	S	S	.	*	H	α-helix	trans	-61.5	-42.2	176.6	0	0	0	0	0	112.3	G325 A326 M332 C333	G325-A329 WeakPolarHBondContact O-CB 3.08Å; G325-A329 PolarHBondContact O-N 3.06Å; A326-A329 PolarHBondContact O-N 2.93Å; A329-M332 PolarHBondContact O-N 2.73Å; A329-C333 WeakPolarHBondContact O-CB 3.38Å; A329-C333 PolarHBondContact O-N 3.2Å; A329-C333 PolarHBondContact O-SG 2.99Å
330	V	73.1	Confident	68.3	Low	77 Å²	77	101 Å²	101	47%	0.467	60%	0.599	S	S	.	*	H	α-helix	trans	-64.6	-42.3	175.5	170.1	0	0	0	0	111.5	A326 M327 V328 C333 R334	A326-V330 VanDerWaalsContact O-CG2 3.31Å; A326-V330 WeakPolarHBondContact O-CG2 3.46Å; A326-V330 PolarHBondContact O-N 3.37Å; M327-V330 PolarHBondContact O-N 2.94Å; V328-V330 PolarHBondContact O-N 3.47Å; V330-C333 PolarHBondContact O-N 3.4Å; V330-R334 WeakPolarHBondContact O-CB 3.48Å; V330-R334 WeakPolarHBondContact O-CG 3.25Å; V330-R334 PolarHBondContact O-N 2.57Å
331	V	72.7	Confident	65.9	Low	85 Å²	85	107.3 Å²	107.3	52%	0.515	62%	0.62	S	S	.	*	H	α-helix	trans	-66.4	-40.2	177.2	170.9	0	0	0	0	111.2	M327 V328 R334 R335	M327-V331 VanDerWaalsContact O-CG2 3.29Å; M327-V331 WeakPolarHBondContact O-CG2 3.46Å; M327-V331 PolarHBondContact O-N 3.09Å; V328-V331 PolarHBondContact O-N 3.39Å; V331-R334 PolarHBondContact O-N 3.05Å; V331-R335 PolarHBondContact O-N 3.35Å
332	M	71.3	Confident	63.4	Low	129 Å²	129	106.2 Å²	106.2	64%	0.635	63%	0.634	S	S	*	*	H	α-helix	trans	-65.6	-41.4	174.3	-73.5	-173.5	69.6	0	0	112.1	V328 A329 R334 R335 K336	V328-M332 HydrophobicContact CG1-CG 4.38Å; V328-M332 HydrophobicContact CG1-SD 4.16Å; V328-M332 WeakPolarHBondContact O-CB 3.29Å; V328-M332 WeakPolarHBondContact O-CG 3.16Å; V328-M332 PolarHBondContact O-N 3.41Å; A329-M332 PolarHBondContact O-N 2.73Å; M332-R334 VanDerWaalsContact C-N 3.33Å; M332-R334 PolarHBondContact O-N 3.3Å; M332-R335 PolarHBondContact O-N 2.6Å; M332-K336 WeakPolarHBondContact O-CB 3.19Å; M332-K336 PolarHBondContact O-N 3.34Å
333	C	61	Low	60.9	Low	90 Å²	90	106.9 Å²	106.9	61%	0.608	65%	0.647	S	S	*	*	H	α-helix	trans	-62.3	-38.8	173	-81.2	0	0	0	0	112	A329 V330 K336 S337	A329-C333 WeakPolarHBondContact O-CB 3.38Å; A329-C333 PolarHBondContact O-N 3.2Å; A329-C333 PolarHBondContact O-SG 2.99Å; V330-C333 PolarHBondContact O-N 3.4Å; C333-K336 PolarHBondContact O-N 2.88Å; C333-S337 PolarHBondContact O-N 3.3Å; C333-S337 VanDerWaalsContact O-N 3.08Å; C333-S337 PolarHBondContact O-OG 3.12Å
334	R	60.8	Low	58.5	Low	191 Å²	191	108.4 Å²	108.4	72%	0.721	66%	0.662	S	S	*	*	H	α-helix	trans	-71.1	-32.5	175.2	-78.3	-174	162.6	175.8	-3.1	113.7	V330 V331 M332 K336 S337	V330-R334 WeakPolarHBondContact O-CB 3.48Å; V330-R334 WeakPolarHBondContact O-CG 3.25Å; V330-R334 PolarHBondContact O-N 2.57Å; V331-R334 PolarHBondContact O-N 3.05Å; M332-R334 VanDerWaalsContact C-N 3.33Å; M332-R334 PolarHBondContact O-N 3.3Å; R334-K336 VanDerWaalsContact C-N 3.34Å; R334-S337 PolarHBondContact O-OG 3.02Å
335	R	57.2	Low	56.3	Low	211 Å²	211	109.2 Å²	109.2	80%	0.796	68%	0.675	S	S	*	*	H	α-helix	trans	-71.1	-29.9	171.2	-108	-177.6	173.1	173.8	-1.4	112.5	V331 M332 S338	V331-R335 PolarHBondContact O-N 3.35Å; M332-R335 PolarHBondContact O-N 2.6Å; R335-S338 PolarHBondContact O-OG 3.17Å
336	K	50.1	Low	54	Low	182 Å²	182	113.2 Å²	113.2	79%	0.791	70%	0.696	S	S	*	*	H	α-helix	trans	-82.5	-21.2	179	-163.5	168.1	-179.1	178	0	113.2	M332 C333 R334	M332-K336 WeakPolarHBondContact O-CB 3.19Å; M332-K336 PolarHBondContact O-N 3.34Å; C333-K336 PolarHBondContact O-N 2.88Å; R334-K336 VanDerWaalsContact C-N 3.34Å
337	S	51.5	Low	52.1	Low	95 Å²	95	119.7 Å²	119.7	66%	0.664	72%	0.717	S	S	*	*	S	Bend	trans	-91.9	-0.2	177.1	54	0	0	0	0	115.1	C333 R334	C333-S337 PolarHBondContact O-N 3.3Å; C333-S337 VanDerWaalsContact O-N 3.08Å; C333-S337 PolarHBondContact O-OG 3.12Å; R334-S337 PolarHBondContact O-OG 3.02Å
338	S	49.1	Very low	49.9	Very low	104 Å²	104	119 Å²	119	73%	0.727	73%	0.73	S	S	*	*	S	Bend	trans	-92.9	17.3	173.7	74.2	0	0	0	0	114.5	R335	R335-S338 PolarHBondContact O-OG 3.17Å
339	G	45.3	Very low	48	Very low	63 Å²	63	118.7 Å²	118.7	65%	0.649	74%	0.737	S	S	*	*	S	Bend	trans	-153.8	105.1	175.1	0	0	0	0	0	112.8
340	G	36.5	Very low	46.3	Very low	82 Å²	82	121.6 Å²	121.6	85%	0.845	75%	0.754	S	S	*	*			trans	120	86.2	155	0	0	0	0	0	117.8
341	K	34.8	Very low	44.4	Very low	221 Å²	221	123.8 Å²	123.8	96%	0.961	77%	0.773	S	S	*	*			trans	-17.8	132.4	148.1	-154	155.6	-179.5	171.6	0	117.9
342	G	33.3	Very low	42.7	Very low	81 Å²	81	127.3 Å²	127.3	84%	0.835	79%	0.789	S	S	*	*			trans	122.5	124.2	139.3	0	0	0	0	0	118.6
343	G	31.3	Very low	41.2	Very low	80 Å²	80	127.4 Å²	127.4	83%	0.825	80%	0.802	S	S	*	*			trans	129.3	88.1	142.8	0	0	0	0	0	120
344	S	33.7	Very low	40.2	Very low	125 Å²	125	127.4 Å²	127.4	87%	0.874	81%	0.809	S	S	*	*			trans	39.5	139.9	138.1	-162.4	0	0	0	0	125.2
345	C	35	Very low	39	Very low	118 Å²	118	128 Å²	128	80%	0.797	82%	0.82	S	S	*	*			trans	-42.3	150.7	164	-72.6	0	0	0	0	117.9
346	S	33.3	Very low	37.7	Very low	126 Å²	126	121.3 Å²	121.3	88%	0.881	82%	0.817	S	S	*	*				-153.7	138.4	125.1	-16.8	0	0	0	0	111.6
347	Q	38.8	Very low	37.1	Very low	191 Å²	191	117.8 Å²	117.8	89%	0.893	82%	0.815	S	S	*	*			trans	-96.9	140.9	174.7	-173	177.3	9.9	0	0	107.7
348	A	30.5	Very low	36.3	Very low	107 Å²	107	120.3 Å²	120.3	88%	0.884	82%	0.821	S	S	*	*			trans	-141.7	116.6	164.4	0	0	0	0	0	109.5
349	A	35.3	Very low	35.5	Very low	82 Å²	82	123.5 Å²	123.5	68%	0.678	82%	0.824	S	S	*	*			trans	-98.4	144.5	176.2	0	0	0	0	0	110.6
350	S	37	Very low	34.9	Very low	113 Å²	113	125 Å²	125	79%	0.79	83%	0.825	S	S	*	*			trans	27.8	135.8	145	66.1	0	0	0	0	121.4
351	S	33	Very low	34.7	Very low	123 Å²	123	128 Å²	128	86%	0.86	82%	0.821	S	S	*	*			trans	-137	131.1	140.5	51.2	0	0	0	0	111.4
352	N	38.4	Very low	34.5	Very low	159 Å²	159	124.4 Å²	124.4	85%	0.85	81%	0.81	S	S	*	*			trans	-79.7	157.2	173.4	-77.7	-33.2	0	0	0	111.2
353	S	39.3	Very low	34.5	Very low	131 Å²	131	124.6 Å²	124.6	92%	0.916	80%	0.804	S	S	*	*			trans	-148.3	134.2	137.2	44.7	0	0	0	0	110.4
354	A	39	Very low	34.4	Very low	90 Å²	90	126.8 Å²	126.8	74%	0.744	81%	0.806	S	S	*	*			trans	-120.6	143.7	-174.7	0	0	0	0	0	109.6
355	Q	36.8	Very low	34.3	Very low	204 Å²	204	130.8 Å²	130.8	95%	0.953	81%	0.807	S	S	*	*			trans	163.3	136.2	154	-101.4	166.9	-20.7	0	0	105.6
356	G	30.3	Very low	34.4	Very low	71 Å²	71	133 Å²	133	73%	0.732	83%	0.834	S	S	*	*			cis	162.1	146.1	13.1	0	0	0	0	0	105.5
357	S	37.1	Very low	34.4	Very low	108 Å²	108	133.4 Å²	133.4	76%	0.755	83%	0.832	S	S	*	*			trans	-47.3	147.1	-173.9	-28.8	0	0	0	0	116.7
358	D	35.5	Very low	34.2	Very low	148 Å²	148	130.4 Å²	130.4	79%	0.791	83%	0.829	S	S	*	*				173.8	144.1	101.4	-94	-18	0	0	0	114.7
359	E	31.7	Very low	34.4	Very low	171 Å²	171	131.7 Å²	131.7	80%	0.799	83%	0.826	S	S	*	*			trans	28.8	118.3	149.2	-78	-164.6	133.8	0	0	124.1
360	S	31.8	Very low	34.4	Very low	93 Å²	93	134.6 Å²	134.6	65%	0.65	84%	0.835	S	S	*	*				86.7	132.1	115.7	90.1	0	0	0	0	121.9
361	L	32.5	Very low	34.2	Very low	147 Å²	147	135.9 Å²	135.9	77%	0.77	84%	0.837	S	S	*	*			trans	87.3	114.5	143.8	-67.8	166.6	0	0	0	121.9
362	I	32	Very low	34.3	Very low	144 Å²	144	136.8 Å²	136.8	74%	0.738	84%	0.836	S	S	*	*			trans	84.4	111.1	133	-62.4	172.3	0	0	0	118.6
363	A	32	Very low	34	Very low	85 Å²	85	135.2 Å²	135.2	70%	0.702	84%	0.835	S	S	*	*				41.8	144.4	125.9	0	0	0	0	0	119.8
364	C	29.8	Very low	33.6	Very low	127 Å²	127	135.5 Å²	135.5	86%	0.858	83%	0.828	S	S	*	*			cis	-143.7	151.4	21.1	-76.6	0	0	0	0	109.2
365	K	31.5	Very low	33.1	Very low	208 Å²	208	139.3 Å²	139.3	90%	0.904	84%	0.836	S	S	*	*			trans	-125.3	140.9	161	-129.6	-178.3	-173.7	-179.9	0	108.4
366	A	36.7	Very low	32.8	Very low	166 Å²	166	133.5 Å²	133.5	100%	1.372	83%	0.825	S	S	*	*			trans	-66.5	0	152.7	0	0	0	0	0	110.2

Retrieved 366 of 366 residues in 164.3 ms (Link to these results)

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