A0A090MEW7_HUMAN Loading...

HLA class I antigen

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

AlphaFold DB , UniProt , Accession A0A090MEW7, Species HUMAN (Homo sapiens, Human), Gene HLA-C, Length 372 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.6	Very low	43.1	Very low	235 Å²	235	133.5 Å²	133.5	100%	1.158	70%	0.702	S	S	*	*				0	142.6	0	-66.6	127.9	76.4	0	0	108.4
2	R	33.3	Very low	43.1	Very low	248 Å²	248	133 Å²	133	94%	0.936	70%	0.699	S	S	*	*			trans	-81.5	122.2	167.6	-81.8	-178.6	171.9	164.7	-2.9	108	M4	R2-M4 PolarHBondContact O-N 3.3Å
3	V	38.1	Very low	42.9	Very low	141 Å²	141	130.3 Å²	130.3	86%	0.855	69%	0.685	S	S	*	*			trans	-76.3	107.8	170.3	179.7	0	0	0	0	107.1	A5	V3-A5 PolarHBondContact O-N 3.29Å
4	M	38.6	Very low	42.8	Very low	158 Å²	158	125.4 Å²	125.4	78%	0.778	67%	0.667	S	S	*	*			trans	-74.1	115.5	167.4	-75.7	170.2	55.9	0	0	108	R2	R2-M4 PolarHBondContact O-N 3.3Å
5	A	43.7	Very low	42.8	Very low	57 Å²	57	119.5 Å²	119.5	47%	0.471	65%	0.647	S	S	.	*			trans	-61.4	142.7	165.8	0	0	0	0	0	109.2	V3 Q7	V3-A5 PolarHBondContact O-N 3.29Å; A5-Q7 PolarHBondContact O-N 3.01Å
6	P	53.9	Low	42.8	Very low	88 Å²	88	113.8 Å²	113.8	57%	0.571	62%	0.622	S	S	*	*			trans	-60.7	125.4	179.8	-22	33.3	0	0	0	110.6	A8 L9 L10	P6-A8 PolarHBondContact O-N 3.47Å; P6-A8 VanDerWaalsContact O-N 3.17Å; P6-L9 HydrophobicContact CB-CB 4.44Å; P6-L9 WeakPolarHBondContact O-CB 3.24Å; P6-L9 PolarHBondContact O-N 3.47Å; P6-L10 PolarHBondContact O-N 3.27Å
7	Q	50	Low	42.5	Very low	144 Å²	144	113.2 Å²	113.2	67%	0.673	62%	0.617	S	S	*	*	H	α-helix	trans	-61.2	-28	-177.1	-69.3	171.3	-62.1	0	0	112.4	A5 L9 L10 L11	A5-Q7 PolarHBondContact O-N 3.01Å; Q7-L9 VanDerWaalsContact C-N 3.34Å; Q7-L9 PolarHBondContact O-N 3.33Å; Q7-L10 PolarHBondContact O-N 3.01Å; Q7-L11 WeakPolarHBondContact O-CG 3.43Å; Q7-L11 PolarHBondContact O-N 3.01Å
8	A	47.8	Very low	42.3	Very low	66 Å²	66	109.8 Å²	109.8	55%	0.545	61%	0.607	S	S	.	*	H	α-helix	trans	-61.1	-37.3	171.5	0	0	0	0	0	113.3	P6 L11 L12	P6-A8 PolarHBondContact O-N 3.47Å; P6-A8 VanDerWaalsContact O-N 3.17Å; A8-L11 PolarHBondContact O-N 2.94Å; A8-L12 WeakPolarHBondContact O-CG 3.41Å; A8-L12 PolarHBondContact O-N 3.27Å
9	L	44.6	Very low	42.3	Very low	103 Å²	103	108.3 Å²	108.3	54%	0.539	60%	0.597	S	S	.	*	H	α-helix	trans	-68.7	-39.6	179.3	-155.5	82.8	0	0	0	111.2	P6 Q7 L13	P6-L9 HydrophobicContact CB-CB 4.44Å; P6-L9 WeakPolarHBondContact O-CB 3.24Å; P6-L9 PolarHBondContact O-N 3.47Å; Q7-L9 VanDerWaalsContact C-N 3.34Å; Q7-L9 PolarHBondContact O-N 3.33Å; L9-L13 WeakPolarHBondContact O-CB 3.41Å; L9-L13 VanDerWaalsContact O-CG 3.31Å; L9-L13 WeakPolarHBondContact O-CG 3.4Å; L9-L13 PolarHBondContact O-N 3.5Å
10	L	41.7	Very low	42.3	Very low	108 Å²	108	107 Å²	107	57%	0.565	59%	0.588	S	S	*	*	H	α-helix	trans	-62.9	-40.8	173.3	-91.5	153.3	0	0	0	112.2	P6 Q7 S14	P6-L10 PolarHBondContact O-N 3.27Å; Q7-L10 PolarHBondContact O-N 3.01Å; L10-S14 WeakPolarHBondContact O-CB 3.35Å; L10-S14 PolarHBondContact O-N 3.31Å; L10-S14 PolarHBondContact O-OG 3.12Å
11	L	48.5	Very low	42.1	Very low	121 Å²	121	109.1 Å²	109.1	63%	0.634	59%	0.594	S	S	*	*	H	α-helix	trans	-67	-46	177.6	-72.1	165.7	0	0	0	111.7	Q7 A8 L13 S14 G15	Q7-L11 WeakPolarHBondContact O-CG 3.43Å; Q7-L11 PolarHBondContact O-N 3.01Å; A8-L11 PolarHBondContact O-N 2.94Å; L11-L13 PolarHBondContact O-N 2.94Å; L11-S14 WeakPolarHBondContact CA-OG 3.36Å; L11-S14 PolarHBondContact O-N 3.48Å; L11-S14 PolarHBondContact O-OG 3.38Å; L11-G15 PolarHBondContact O-N 3.33Å
12	L	43.8	Very low	42.6	Very low	127 Å²	127	102.1 Å²	102.1	67%	0.665	57%	0.565	S	S	*	*	H	α-helix	trans	-60.3	-43.5	175.4	-72.9	168.4	0	0	0	112.1	A8 G15 A16	A8-L12 WeakPolarHBondContact O-CG 3.41Å; A8-L12 PolarHBondContact O-N 3.27Å; L12-G15 PolarHBondContact O-N 2.96Å; L12-A16 PolarHBondContact O-N 3.49Å
13	L	39.7	Very low	43.3	Very low	98 Å²	98	92.7 Å²	92.7	51%	0.513	53%	0.529	S	S	.	.	H	α-helix	trans	-62.8	-40.4	174.3	-75.3	166.2	0	0	0	112.1	L9 L11 A16 L17	L9-L13 WeakPolarHBondContact O-CB 3.41Å; L9-L13 VanDerWaalsContact O-CG 3.31Å; L9-L13 WeakPolarHBondContact O-CG 3.4Å; L9-L13 PolarHBondContact O-N 3.5Å; L11-L13 PolarHBondContact O-N 2.94Å; L13-A16 PolarHBondContact O-N 3.36Å; L13-L17 WeakPolarHBondContact O-CB 3.42Å; L13-L17 WeakPolarHBondContact O-CG 3.35Å; L13-L17 PolarHBondContact O-N 3.19Å
14	S	42.1	Very low	44.4	Very low	62 Å²	62	89.8 Å²	89.8	43%	0.434	51%	0.512	S	S	.	.	H	α-helix	trans	-66.6	-34.4	175.8	66.1	0	0	0	0	113.3	L10 L11 A18	L10-S14 WeakPolarHBondContact O-CB 3.35Å; L10-S14 PolarHBondContact O-N 3.31Å; L10-S14 PolarHBondContact O-OG 3.12Å; L11-S14 WeakPolarHBondContact CA-OG 3.36Å; L11-S14 PolarHBondContact O-N 3.48Å; L11-S14 PolarHBondContact O-OG 3.38Å; S14-A18 VanDerWaalsContact O-CB 3.25Å; S14-A18 WeakPolarHBondContact O-CB 3.46Å; S14-A18 PolarHBondContact O-N 3.28Å
15	G	43.2	Very low	46.2	Very low	36 Å²	36	84 Å²	84	37%	0.371	49%	0.492	S	S	.	.	H	α-helix	trans	-68.2	-43.5	174.4	0	0	0	0	0	112.3	L11 L12 L19	L11-G15 PolarHBondContact O-N 3.33Å; L12-G15 PolarHBondContact O-N 2.96Å; G15-L19 PolarHBondContact O-N 2.97Å
16	A	42.7	Very low	48.4	Very low	29 Å²	29	83.2 Å²	83.2	24%	0.24	48%	0.483	C	S	.	.	H	α-helix	trans	-65.2	-40.5	176.1	0	0	0	0	0	112.6	L12 L13 L19 I20	L12-A16 PolarHBondContact O-N 3.49Å; L13-A16 PolarHBondContact O-N 3.36Å; A16-L19 PolarHBondContact O-N 3.37Å; A16-I20 VanDerWaalsContact O-CG1 3.32Å; A16-I20 WeakPolarHBondContact O-CG1 3.49Å; A16-I20 PolarHBondContact O-N 2.94Å
17	L	38	Very low	50.4	Low	103 Å²	103	80.7 Å²	80.7	54%	0.539	46%	0.464	S	S	.	.	H	α-helix	trans	-68.7	-42.8	176.4	-74	167.3	0	0	0	112.2	L13 L19 I20 E21	L13-L17 WeakPolarHBondContact O-CB 3.42Å; L13-L17 WeakPolarHBondContact O-CG 3.35Å; L13-L17 PolarHBondContact O-N 3.19Å; L17-L19 VanDerWaalsContact C-N 3.27Å; L17-L19 PolarHBondContact O-N 2.93Å; L17-I20 PolarHBondContact O-N 3.32Å; L17-I20 VanDerWaalsContact O-N 3.16Å; L17-E21 PolarHBondContact O-N 3.01Å
18	A	39	Very low	52.7	Low	53 Å²	53	74.8 Å²	74.8	44%	0.438	44%	0.439	S	S	.	.	H	α-helix	trans	-64.7	-31.1	176.6	0	0	0	0	0	112.7	S14 T22	S14-A18 VanDerWaalsContact O-CB 3.25Å; S14-A18 WeakPolarHBondContact O-CB 3.46Å; S14-A18 PolarHBondContact O-N 3.28Å; A18-T22 WeakPolarHBondContact O-CG2 3.39Å; A18-T22 PolarHBondContact O-OG1 3.42Å; A18-T22 VanDerWaalsContact O-OG1 3.1Å
19	L	41	Very low	55.1	Low	80 Å²	80	71.6 Å²	71.6	42%	0.419	41%	0.413	S	S	.	.	H	α-helix	trans	-63.7	-57.3	166.8	-79.8	163.4	0	0	0	110.5	G15 A16 L17 E21 T22	G15-L19 PolarHBondContact O-N 2.97Å; A16-L19 PolarHBondContact O-N 3.37Å; L17-L19 VanDerWaalsContact C-N 3.27Å; L17-L19 PolarHBondContact O-N 2.93Å; L19-E21 VanDerWaalsContact C-N 3.32Å; L19-E21 PolarHBondContact O-N 3.47Å; L19-T22 PolarHBondContact O-N 3.42Å; L19-T22 PolarHBondContact O-OG1 2.94Å
20	I	42.2	Very low	57.7	Low	83 Å²	83	69.1 Å²	69.1	43%	0.426	40%	0.396	S	S	.	.	H	α-helix	trans	-55.8	-42.6	-177.8	-66.3	164	0	0	0	112.6	A16 L17 T22 W23	A16-I20 VanDerWaalsContact O-CG1 3.32Å; A16-I20 WeakPolarHBondContact O-CG1 3.49Å; A16-I20 PolarHBondContact O-N 2.94Å; L17-I20 PolarHBondContact O-N 3.32Å; L17-I20 VanDerWaalsContact O-N 3.16Å; I20-T22 VanDerWaalsContact C-N 3.27Å; I20-T22 PolarHBondContact O-N 2.9Å; I20-W23 PolarHBondContact O-N 3.33Å
21	E	38.2	Very low	60.4	Low	151 Å²	151	64.3 Å²	64.3	71%	0.706	37%	0.37	S	S	*	.	H	α-helix	trans	-65.3	-22.2	178.9	-77.1	-169.1	139.9	0	0	114.4	L17 L19	L17-E21 PolarHBondContact O-N 3.01Å; L19-E21 VanDerWaalsContact C-N 3.32Å; L19-E21 PolarHBondContact O-N 3.47Å
22	T	44	Very low	62.8	Low	88 Å²	88	62.7 Å²	62.7	54%	0.54	36%	0.358	S	S	.	.	H	α-helix	trans	-85.3	-15.4	-179	45.3	0	0	0	0	113.9	A18 L19 I20 S26	A18-T22 WeakPolarHBondContact O-CG2 3.39Å; A18-T22 PolarHBondContact O-OG1 3.42Å; A18-T22 VanDerWaalsContact O-OG1 3.1Å; L19-T22 PolarHBondContact O-N 3.42Å; L19-T22 PolarHBondContact O-OG1 2.94Å; I20-T22 VanDerWaalsContact C-N 3.27Å; I20-T22 PolarHBondContact O-N 2.9Å; T22-S26 PolarHBondContact O-OG 3.42Å
23	W	49.3	Very low	65.4	Low	50 Å²	50	57.1 Å²	57.1	19%	0.189	33%	0.328	C	S	.	.	H	α-helix	trans	-94.2	-43.7	-172.3	-67.9	40.1	0	0	0	111.6	I20 G25 S26 E236 E288	I20-W23 PolarHBondContact O-N 3.33Å; W23-G25 PolarHBondContact O-N 2.88Å; W23-S26 PolarHBondContact O-N 3.48Å; W23-E236 HydrophobicContact CH2-CB 3.69Å; W23-E236 HydrophobicContact CH2-CG 3.65Å; W23-E236 HydrophobicContact CZ2-CB 4.46Å; W23-E236 HydrophobicContact CZ2-CG 4.18Å; W23-E236 WeakPolarHBondContact CZ2-OE1 3.44Å; W23-E236 HydrophobicContact CZ3-CB 3.93Å; W23-E236 HydrophobicContact CZ3-CG 4.4Å; W23-E236 WeakPolarHBondContact CZ3-O 3.46Å; W23-E288 HydrophobicContact CE3-CB 4.45Å
24	T	59.9	Low	68.3	Low	81 Å²	81	54.6 Å²	54.6	50%	0.497	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	100.7	-171.8	56.3	0	0	0	0	113.5	P129	T24-P129 WeakPolarHBondContact O-CG 3.2Å
25	G	76.4	Confident	71	Confident	35 Å²	35	51.8 Å²	51.8	36%	0.361	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.7	8.4	173.4	0	0	0	0	0	115.8	W23 H27 P129	W23-G25 PolarHBondContact O-N 2.88Å; G25-H27 PolarHBondContact O-CD2 2.92Å; G25-P129 WeakPolarHBondContact O-CA 3.5Å
26	S	91.3	Very high	73.6	Confident	41 Å²	41	52.5 Å²	52.5	29%	0.287	30%	0.295	S	S	.	.			trans	-77.9	136.7	166.8	-63.5	0	0	0	0	109.5	T22 W23 L127	T22-S26 PolarHBondContact O-OG 3.42Å; W23-S26 PolarHBondContact O-N 3.48Å; S26-L127 WeakPolarHBondContact CA-O 3.32Å
27	H	95.8	Very high	76.2	Confident	35 Å²	35	52 Å²	52	16%	0.162	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	155.1	-177	-71.3	-73.1	0	0	0	112.3	G25 D53 D126 L127 L196	G25-H27 PolarHBondContact O-CD2 2.92Å; H27-D53 WeakPolarHBondContact CA-OD1 3.36Å; H27-D53 IonicContact CE1-OD2 2.74Å; H27-D53 IonicContact CG-OD2 2.71Å; H27-D53 IonicContact ND1-OD2 2.67Å; H27-D53 PolarHBondContact ND1-OD2 3.13Å; H27-D126 CarbonylContact O-C 3.56Å; H27-D126 WeakPolarHBondContact O-CA 3.35Å; H27-L127 PolarHBondContact N-O 2.75Å; H27-L127 PolarHBondContact O-N 2.84Å; H27-L196 HydrophobicContact CB-CD1 3.69Å; H27-L196 HydrophobicContact CB-CD2 4.06Å; H27-L196 HydrophobicContact CB-CG 4.48Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.49Å
28	S	97.8	Very high	79	Confident	20 Å²	20	50.6 Å²	50.6	14%	0.14	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	149.3	-173.7	66.7	0	0	0	0	113	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.58Å; S28-V52 VanDerWaalsContact O-CA 3.29Å; S28-V52 WeakPolarHBondContact O-CA 3.42Å; S28-D53 PolarHBondContact N-OD1 3.32Å; S28-D53 PolarHBondContact O-N 3.5Å; S28-D53 PolarHBondContact OG-OD1 3.3Å; S28-C125 WeakPolarHBondContact CA-O 3.42Å; S28-D126 VanDerWaalsContact CB-OD1 3.31Å; S28-D126 WeakPolarHBondContact CB-OD1 3.36Å
29	M	98.6	Very high	81.6	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	117.3	167.9	-179.4	176	54.5	0	0	108.8	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.14Å; M29-Y31 HydrophobicContact CG-CD2 4.42Å; M29-Y31 HydrophobicContact CG-CE2 3.85Å; M29-Y31 HydrophobicContact SD-CE2 3.71Å; M29-Y51 WeakPolarHBondContact CA-O 3.19Å; M29-V52 HydrophobicContact CB-CG2 4.47Å; M29-V52 HydrophobicContact CG-CG2 4.34Å; M29-F57 HydrophobicContact CG-CE1 4.37Å; M29-F57 HydrophobicContact SD-CZ 4.32Å; M29-G124 CarbonylContact O-C 3.56Å; M29-G124 WeakPolarHBondContact O-CA 3.34Å; M29-C125 PolarHBondContact N-O 3.33Å; M29-C125 PolarHBondContact O-N 3.45Å; M29-C125 VanDerWaalsContact O-N 3.07Å; M29-C188 HydrophobicContact CE-CB 4.25Å; M29-C188 VanDerWaalsContact CE-O 3.24Å; M29-C188 WeakPolarHBondContact CE-O 3.38Å; M29-C188 WeakPolarHBondContact CE-SG 3.24Å; M29-W191 HydrophobicContact CE-CB 4.05Å; M29-W191 HydrophobicContact SD-CB 4.37Å; M29-L192 HydrophobicContact CB-CB 4.03Å; M29-L192 HydrophobicContact CB-CD1 4.05Å; M29-L192 HydrophobicContact CB-CD2 3.96Å; M29-L192 HydrophobicContact CB-CG 4.24Å; M29-L192 HydrophobicContact CE-CB 4.3Å; M29-Y195 HydrophobicContact SD-CD2 3.94Å; M29-Y195 HydrophobicContact SD-CE2 3.63Å
30	R	98.7	Very high	84	Confident	51 Å²	51	51.2 Å²	51.2	19%	0.192	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	129.1	-173.1	-54	-64.4	-171.3	71.5	-0.8	110.5	F32 Y51 D126 Y137	R30-F32 HydrophobicContact CB-CD2 4.47Å; R30-F32 HydrophobicContact CB-CE2 3.63Å; R30-F32 HydrophobicContact CB-CZ 3.95Å; R30-Y51 PolarHBondContact N-O 2.89Å; R30-Y51 PolarHBondContact O-N 2.99Å; R30-D126 IonicContact CZ-OD1 3.1Å; R30-D126 VanDerWaalsContact CZ-OD1 3.22Å; R30-D126 IonicContact CZ-OD2 3.7Å; R30-D126 IonicContact NE-OD1 3.41Å; R30-D126 PolarHBondContact NE-OD1 2.84Å; R30-D126 IonicContact NH2-OD1 2.72Å; R30-D126 PolarHBondContact NH2-OD1 3.47Å; R30-D126 IonicContact NH2-OD2 3.31Å; R30-D126 PolarHBondContact NH2-OD2 2.95Å; R30-Y137 PolarHBondContact NH2-OH 2.74Å
31	Y	98.8	Very high	86.5	Confident	6 Å²	6	57.3 Å²	57.3	2%	0.024	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	130.4	173	-69.5	-96.8	0	0	0	109.8	M29 Y33 V49 F57 V58 M122 Y123	M29-Y31 HydrophobicContact CE-CE2 4.14Å; M29-Y31 HydrophobicContact CG-CD2 4.42Å; M29-Y31 HydrophobicContact CG-CE2 3.85Å; M29-Y31 HydrophobicContact SD-CE2 3.71Å; Y31-Y33 HydrophobicContact CD1-CE1 4.34Å; Y31-V49 WeakPolarHBondContact CA-O 3.33Å; Y31-F57 HydrophobicContact CE1-CZ 4.11Å; Y31-F57 AromaticContact CZ-CZ 3.84Å; Y31-V58 HydrophobicContact CE1-CG1 4.23Å; Y31-M122 WeakPolarHBondContact O-CA 3.46Å; Y31-Y123 HydrophobicContact CD2-CD2 4.44Å; Y31-Y123 AromaticContact CD2-CE2 3.67Å; Y31-Y123 HydrophobicContact CD2-CE2 3.67Å; Y31-Y123 AromaticContact CD2-CZ 3.78Å; Y31-Y123 HydrophobicContact CE2-CE2 4.38Å; Y31-Y123 HydrophobicContact CG-CE1 4.21Å; Y31-Y123 HydrophobicContact CG-CE2 4.05Å; Y31-Y123 AromaticContact CG-CZ 3.66Å; Y31-Y123 PolarHBondContact N-O 2.9Å; Y31-Y123 PolarHBondContact O-N 3.38Å; Y31-Y123 VanDerWaalsContact O-N 3.09Å
32	F	98.9	Very high	89.1	Confident	87 Å²	87	53 Å²	53	38%	0.382	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	117.1	178.5	-56.3	-96.1	0	0	0	109.5	R30 A48 V49 Y51 R121 M122	R30-F32 HydrophobicContact CB-CD2 4.47Å; R30-F32 HydrophobicContact CB-CE2 3.63Å; R30-F32 HydrophobicContact CB-CZ 3.95Å; F32-A48 WeakPolarHBondContact O-CA 3.36Å; F32-V49 HydrophobicContact CB-CG2 3.87Å; F32-V49 HydrophobicContact CD2-CG2 4.37Å; F32-V49 PolarHBondContact N-O 2.96Å; F32-V49 PolarHBondContact O-N 2.84Å; F32-Y51 HydrophobicContact CD2-CD2 4.18Å; F32-Y51 HydrophobicContact CE2-CD2 4.23Å; F32-R121 WeakPolarHBondContact CA-O 3.38Å; F32-M122 HydrophobicContact CD1-CB 4Å; F32-M122 HydrophobicContact CD1-CG 3.66Å; F32-M122 HydrophobicContact CE1-CB 4.15Å; F32-M122 HydrophobicContact CE1-CG 3.42Å; F32-M122 VanDerWaalsContact CE1-CG 3.42Å; F32-M122 HydrophobicContact CG-CG 4.46Å; F32-M122 HydrophobicContact CZ-CG 4.04Å
33	Y	98.8	Very high	91.5	Very high	10 Å²	10	53 Å²	53	4%	0.039	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	137.3	178	-60.8	-15.3	0	0	0	109.9	Y31 F46 I47 A48 Y91 Q94 Q120 R121 Y123	Y31-Y33 HydrophobicContact CD1-CE1 4.34Å; Y33-F46 HydrophobicContact CD1-CZ 4.17Å; Y33-F46 HydrophobicContact CD2-CE2 4.35Å; Y33-F46 HydrophobicContact CD2-CZ 4.01Å; Y33-F46 HydrophobicContact CE2-CZ 4.46Å; Y33-F46 HydrophobicContact CG-CE2 4.2Å; Y33-F46 AromaticContact CG-CZ 3.82Å; Y33-F46 HydrophobicContact CG-CZ 3.82Å; Y33-I47 WeakPolarHBondContact CA-O 3.36Å; Y33-A48 HydrophobicContact CD1-CB 3.29Å; Y33-A48 HydrophobicContact CE1-CB 3.42Å; Y33-A48 VanDerWaalsContact CE1-CB 3.42Å; Y33-A48 HydrophobicContact CG-CB 4.29Å; Y33-Y91 HydrophobicContact CE1-CD1 4.05Å; Y33-Y91 AromaticContact CE1-CE1 3.77Å; Y33-Y91 HydrophobicContact CE1-CE1 3.77Å; Y33-Y91 AromaticContact CZ-CE1 3.97Å; Y33-Y91 WeakPolarHBondContact OH-CE1 3.42Å; Y33-Q94 HydrophobicContact CD2-CG 3.57Å; Y33-Q94 HydrophobicContact CE2-CB 4.33Å; Y33-Q94 HydrophobicContact CE2-CG 3.68Å; Y33-Q120 CarbonylContact O-C 3.53Å; Y33-Q120 VanDerWaalsContact O-CA 3.32Å; Y33-Q120 WeakPolarHBondContact O-CA 3.28Å; Y33-R121 PolarHBondContact N-O 3.31Å; Y33-R121 PolarHBondContact O-N 2.88Å; Y33-Y123 HydrophobicContact CD2-CE1 4.12Å; Y33-Y123 HydrophobicContact CE1-CE1 4.24Å; Y33-Y123 AromaticContact CE2-CE1 3.54Å; Y33-Y123 HydrophobicContact CE2-CE1 3.54Å; Y33-Y123 AromaticContact CZ-CE1 3.63Å; Y33-Y123 PolarHBondContact OH-OH 2.88Å
34	T	98.9	Very high	93.8	Very high	46 Å²	46	51.8 Å²	51.8	28%	0.282	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	124.6	176.9	-57.1	0	0	0	0	109.9	V36 F46 I47 T118 I119 Q120	T34-V36 HydrophobicContact CG2-CG2 3.96Å; T34-F46 WeakPolarHBondContact O-CA 3.24Å; T34-I47 PolarHBondContact N-O 3.44Å; T34-I47 PolarHBondContact O-N 3.49Å; T34-T118 HydrophobicContact CG2-CG2 4Å; T34-I119 CarbonylContact C-O 3.53Å; T34-I119 WeakPolarHBondContact CA-O 3.37Å; T34-Q120 HydrophobicContact CG2-CG 4.01Å
35	A	98.7	Very high	95.6	Very high	2 Å²	2	52.3 Å²	52.3	2%	0.017	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	111.7	177.9	0	0	0	0	0	110.2	R45 F46 D98 L102 T118 I119	A35-R45 CarbonylContact C-O 3.57Å; A35-R45 WeakPolarHBondContact CA-O 3.46Å; A35-F46 HydrophobicContact CB-CD2 4.17Å; A35-D98 HydrophobicContact CB-CB 3.68Å; A35-L102 HydrophobicContact CB-CD1 4.08Å; A35-T118 WeakPolarHBondContact O-CA 3.38Å; A35-I119 HydrophobicContact CB-CB 4.43Å; A35-I119 PolarHBondContact N-O 2.86Å; A35-I119 PolarHBondContact O-N 2.77Å
36	V	98.6	Very high	96.7	Very high	52 Å²	52	50.8 Å²	50.8	32%	0.315	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	115.2	-177.5	-172.2	0	0	0	0	110	T34 P44 R45 T118	T34-V36 HydrophobicContact CG2-CG2 3.96Å; V36-P44 CarbonylContact O-C 3.53Å; V36-P44 WeakPolarHBondContact O-CA 3.35Å; V36-P44 WeakPolarHBondContact O-CB 3.32Å; V36-R45 PolarHBondContact N-O 2.77Å; V36-R45 PolarHBondContact O-N 3.14Å; V36-T118 HydrophobicContact CG2-CG2 4.2Å
37	S	98.1	Very high	97.1	Very high	18 Å²	18	51 Å²	51	13%	0.126	28%	0.278	C	S	.	.			trans	-73.3	141.9	173.3	55.6	0	0	0	0	111.7	S116 H117	S37-S116 PolarHBondContact O-OG 3.49Å; S37-S116 VanDerWaalsContact O-OG 3.08Å; S37-H117 PolarHBondContact N-O 2.97Å; S37-H117 WeakPolarHBondContact OG-CA 3.29Å; S37-H117 PolarHBondContact OG-N 2.85Å; S37-H117 PolarHBondContact OG-O 3.09Å
38	R	96.3	Very high	97.2	Very high	74 Å²	74	49.3 Å²	49.3	28%	0.279	27%	0.27	S	S	.	.			trans	-134.1	77.3	-175.4	52.8	173.6	170.6	-154.6	-17.9	111.9	G40 R41 E43 D63	R38-G40 PolarHBondContact O-N 3.33Å; R38-R41 HydrophobicContact CB-CB 4.12Å; R38-R41 VanDerWaalsContact CD-O 3.28Å; R38-R41 WeakPolarHBondContact CD-O 3.27Å; R38-R41 HydrophobicContact CG-CB 4.18Å; R38-R41 PolarHBondContact NE-O 3.48Å; R38-R41 PolarHBondContact O-N 2.94Å; R38-E43 VanDerWaalsContact CZ-O 3.27Å; R38-E43 PolarHBondContact NE-O 3.14Å; R38-E43 PolarHBondContact NH2-O 3.37Å; R38-D63 IonicContact CZ-OD1 3.81Å; R38-D63 IonicContact CZ-OD2 2.77Å; R38-D63 IonicContact NH1-OD1 3.1Å; R38-D63 IonicContact NH1-OD2 3.78Å; R38-D63 PolarHBondContact NH1-OD2 3.03Å; R38-D63 IonicContact NH2-OD1 3.86Å; R38-D63 PolarHBondContact NH2-OD1 2.8Å; R38-D63 IonicContact NH2-OD2 3.49Å; R38-D63 PolarHBondContact NH2-OD2 3.4Å
39	P	93.5	Very high	97.3	Very high	55 Å²	55	49.6 Å²	49.6	36%	0.357	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.6	134.2	-179.2	-28.3	35.6	0	0	0	112.9	R41 E113 G115	P39-R41 PolarHBondContact O-N 2.9Å; P39-R41 VanDerWaalsContact O-N 3.16Å; P39-E113 WeakPolarHBondContact CB-O 3.31Å; P39-E113 VanDerWaalsContact CG-O 3.29Å; P39-E113 WeakPolarHBondContact CG-O 3.4Å; P39-G115 WeakPolarHBondContact CG-O 3.48Å
40	G	92.3	Very high	97.3	Very high	91 Å²	91	49.6 Å²	49.6	94%	0.938	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.6	0.1	-176.9	0	0	0	0	0	116.2	R38	R38-G40 PolarHBondContact O-N 3.33Å
41	R	93.9	Very high	97.3	Very high	210 Å²	210	50.5 Å²	50.5	79%	0.792	28%	0.275	S	S	*	.	S	Bend	trans	-123.3	25.5	-177.6	-58.6	-175.4	-179.5	-172.4	0.2	113.6	R38 P39	R38-R41 HydrophobicContact CB-CB 4.12Å; R38-R41 VanDerWaalsContact CD-O 3.28Å; R38-R41 WeakPolarHBondContact CD-O 3.27Å; R38-R41 HydrophobicContact CG-CB 4.18Å; R38-R41 PolarHBondContact NE-O 3.48Å; R38-R41 PolarHBondContact O-N 2.94Å; P39-R41 PolarHBondContact O-N 2.9Å; P39-R41 VanDerWaalsContact O-N 3.16Å
42	G	92.5	Very high	97.2	Very high	60 Å²	60	50.2 Å²	50.2	62%	0.619	27%	0.274	S	S	*	.	S	Bend	trans	91.7	-163	179.6	0	0	0	0	0	114
43	E	94.9	Very high	97.1	Very high	88 Å²	88	47.5 Å²	47.5	41%	0.411	26%	0.263	S	S	.	.	S	Bend	trans	-74.1	155.1	-176.2	-67.1	-63	173.8	0	0	112.7	R38 R45 R99 R103	R38-E43 VanDerWaalsContact CZ-O 3.27Å; R38-E43 PolarHBondContact NE-O 3.14Å; R38-E43 PolarHBondContact NH2-O 3.37Å; E43-R45 PolarHBondContact O-N 2.91Å; E43-R99 VanDerWaalsContact CD-NH2 3.33Å; E43-R99 IonicContact OE1-CZ 2.74Å; E43-R99 IonicContact OE1-NE 2.78Å; E43-R99 PolarHBondContact OE1-NE 3.03Å; E43-R99 IonicContact OE1-NH2 3.81Å; E43-R99 PolarHBondContact OE1-NH2 3.49Å; E43-R99 WeakPolarHBondContact OE2-CD 3.45Å; E43-R99 IonicContact OE2-CZ 3.22Å; E43-R99 IonicContact OE2-NE 2.86Å; E43-R99 PolarHBondContact OE2-NE 3.23Å; E43-R99 IonicContact OE2-NH2 2.78Å; E43-R103 IonicContact OE1-NH2 3.66Å; E43-R103 IonicContact OE2-NH2 3.77Å; E43-R103 PolarHBondContact OE2-NH2 3.16Å
44	P	97.4	Very high	97	Very high	25 Å²	25	50 Å²	50	16%	0.162	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-51.5	134.6	178.5	-27.1	35.3	0	0	0	112.9	V36 R99 L102	V36-P44 CarbonylContact O-C 3.53Å; V36-P44 WeakPolarHBondContact O-CA 3.35Å; V36-P44 WeakPolarHBondContact O-CB 3.32Å; P44-R99 HydrophobicContact CG-CB 4.44Å; P44-R99 HydrophobicContact CG-CG 4.36Å; P44-L102 HydrophobicContact CB-CD1 3.62Å; P44-L102 HydrophobicContact CG-CD1 3.71Å
45	R	98.4	Very high	96.9	Very high	93 Å²	93	49.2 Å²	49.2	35%	0.351	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	127.7	172.8	-177.2	178.9	-174.4	178.9	-2.2	108.8	A35 V36 E43 I47 D61 S62 D63	A35-R45 CarbonylContact C-O 3.57Å; A35-R45 WeakPolarHBondContact CA-O 3.46Å; V36-R45 PolarHBondContact N-O 2.77Å; V36-R45 PolarHBondContact O-N 3.14Å; E43-R45 PolarHBondContact O-N 2.91Å; R45-I47 HydrophobicContact CG-CG1 4.22Å; R45-D61 IonicContact CZ-OD1 3.59Å; R45-D61 IonicContact CZ-OD2 3.46Å; R45-D61 IonicContact NE-OD1 3.69Å; R45-D61 PolarHBondContact NE-OD1 3.28Å; R45-D61 IonicContact NE-OD2 2.67Å; R45-D61 VanDerWaalsContact NH2-CG 3.3Å; R45-D61 IonicContact NH2-OD1 2.76Å; R45-D61 PolarHBondContact NH2-OD1 2.94Å; R45-D61 VanDerWaalsContact NH2-OD1 3.15Å; R45-D61 IonicContact NH2-OD2 3.43Å; R45-D61 PolarHBondContact NH2-OD2 2.95Å; R45-S62 WeakPolarHBondContact CA-OG 3.31Å; R45-D63 VanDerWaalsContact CD-OD2 3.3Å; R45-D63 WeakPolarHBondContact CD-OD2 3.5Å; R45-D63 HydrophobicContact CG-CB 4.42Å; R45-D63 IonicContact NE-OD2 2.68Å
46	F	98.8	Very high	96.9	Very high	3 Å²	3	51.5 Å²	51.5	1%	0.013	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	123.7	175.2	177.7	-91	0	0	0	109.8	Y33 T34 A35 A48 F60 S62 Q94 A95	Y33-F46 HydrophobicContact CD1-CZ 4.17Å; Y33-F46 HydrophobicContact CD2-CE2 4.35Å; Y33-F46 HydrophobicContact CD2-CZ 4.01Å; Y33-F46 HydrophobicContact CE2-CZ 4.46Å; Y33-F46 HydrophobicContact CG-CE2 4.2Å; Y33-F46 AromaticContact CG-CZ 3.82Å; Y33-F46 HydrophobicContact CG-CZ 3.82Å; T34-F46 WeakPolarHBondContact O-CA 3.24Å; A35-F46 HydrophobicContact CB-CD2 4.17Å; F46-A48 HydrophobicContact CE1-CB 3.7Å; F46-A48 HydrophobicContact CZ-CB 4.01Å; F46-F60 AromaticContact CD1-CD1 3.79Å; F46-F60 HydrophobicContact CD1-CD1 3.79Å; F46-F60 AromaticContact CD1-CE1 3.88Å; F46-F60 HydrophobicContact CD1-CE1 3.88Å; F46-F60 HydrophobicContact CE1-CD1 4.08Å; F46-F60 HydrophobicContact CE1-CE1 4.43Å; F46-S62 PolarHBondContact N-OG 2.91Å; F46-S62 PolarHBondContact O-N 2.8Å; F46-S62 PolarHBondContact O-OG 2.8Å; F46-Q94 HydrophobicContact CE2-CB 4.22Å; F46-Q94 HydrophobicContact CE2-CG 3.58Å; F46-Q94 HydrophobicContact CZ-CB 3.95Å; F46-Q94 HydrophobicContact CZ-CG 3.63Å; F46-A95 HydrophobicContact CB-CB 3.65Å; F46-A95 HydrophobicContact CD1-CB 3.84Å; F46-A95 HydrophobicContact CD2-CB 4.11Å; F46-A95 HydrophobicContact CG-CB 3.59Å
47	I	98.8	Very high	96.8	Very high	45 Å²	45	49 Å²	49	23%	0.231	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	135.3	173.4	-53.5	-179.6	0	0	0	107.7	Y33 T34 R45 F60	Y33-I47 WeakPolarHBondContact CA-O 3.36Å; T34-I47 PolarHBondContact N-O 3.44Å; T34-I47 PolarHBondContact O-N 3.49Å; R45-I47 HydrophobicContact CG-CG1 4.22Å; I47-F60 WeakPolarHBondContact CA-O 3.44Å
48	A	98.8	Very high	96.8	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	140.4	170.3	0	0	0	0	0	110.3	F32 Y33 F46 R59 F60 Y91	F32-A48 WeakPolarHBondContact O-CA 3.36Å; Y33-A48 HydrophobicContact CD1-CB 3.29Å; Y33-A48 HydrophobicContact CE1-CB 3.42Å; Y33-A48 VanDerWaalsContact CE1-CB 3.42Å; Y33-A48 HydrophobicContact CG-CB 4.29Å; F46-A48 HydrophobicContact CE1-CB 3.7Å; F46-A48 HydrophobicContact CZ-CB 4.01Å; A48-R59 CarbonylContact O-C 3.51Å; A48-R59 WeakPolarHBondContact O-CA 3.49Å; A48-F60 HydrophobicContact CB-CB 4.26Å; A48-F60 PolarHBondContact N-O 2.84Å; A48-F60 PolarHBondContact O-N 2.79Å; A48-Y91 HydrophobicContact CB-CD1 3.67Å; A48-Y91 HydrophobicContact CB-CE1 3.75Å; A48-Y91 HydrophobicContact CB-CG 4.48Å
49	V	98.8	Very high	96.9	Very high	25 Å²	25	48.1 Å²	48.1	15%	0.152	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	147.3	170.8	-62.4	0	0	0	0	109.7	Y31 F32 Y51 Q56 V58 R59	Y31-V49 WeakPolarHBondContact CA-O 3.33Å; F32-V49 HydrophobicContact CB-CG2 3.87Å; F32-V49 HydrophobicContact CD2-CG2 4.37Å; F32-V49 PolarHBondContact N-O 2.96Å; F32-V49 PolarHBondContact O-N 2.84Å; V49-Y51 HydrophobicContact CB-CE2 4.11Å; V49-Y51 HydrophobicContact CG2-CD2 4.3Å; V49-Y51 HydrophobicContact CG2-CE2 3.82Å; V49-Q56 VanDerWaalsContact CG1-NE2 3.28Å; V49-V58 WeakPolarHBondContact CA-O 3.12Å; V49-R59 HydrophobicContact CG1-CG 4.36Å
50	G	98.7	Very high	97.2	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	138.2	175.1	0	0	0	0	0	110.7	Q56 F57 V58	G50-Q56 WeakPolarHBondContact O-CG 3.4Å; G50-F57 VanDerWaalsContact C-CD1 3.45Å; G50-F57 VanDerWaalsContact O-CD1 3.25Å; G50-F57 WeakPolarHBondContact O-CD1 3.47Å; G50-F57 PolarHBondContact O-N 2.89Å; G50-V58 PolarHBondContact N-O 3.37Å; G50-V58 PolarHBondContact O-N 2.85Å
51	Y	98.6	Very high	97.5	Very high	71 Å²	71	42.1 Å²	42.1	28%	0.278	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	143.2	-177.5	-77.5	-105.5	0	0	0	110.2	M29 R30 F32 V49 T55 Q56	M29-Y51 WeakPolarHBondContact CA-O 3.19Å; R30-Y51 PolarHBondContact N-O 2.89Å; R30-Y51 PolarHBondContact O-N 2.99Å; F32-Y51 HydrophobicContact CD2-CD2 4.18Å; F32-Y51 HydrophobicContact CE2-CD2 4.23Å; V49-Y51 HydrophobicContact CB-CE2 4.11Å; V49-Y51 HydrophobicContact CG2-CD2 4.3Å; V49-Y51 HydrophobicContact CG2-CE2 3.82Å; Y51-T55 WeakPolarHBondContact CA-O 3.39Å; Y51-Q56 HydrophobicContact CD1-CB 4.06Å; Y51-Q56 HydrophobicContact CD2-CB 4.43Å; Y51-Q56 HydrophobicContact CD2-CG 4.2Å; Y51-Q56 HydrophobicContact CE1-CB 3.64Å; Y51-Q56 HydrophobicContact CE1-CG 4.33Å; Y51-Q56 HydrophobicContact CE2-CB 4.03Å; Y51-Q56 HydrophobicContact CE2-CG 3.79Å; Y51-Q56 HydrophobicContact CG-CB 4.43Å
52	V	98.3	Very high	97.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	118	156.7	175.3	0	0	0	0	105.7	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.58Å; S28-V52 VanDerWaalsContact O-CA 3.29Å; S28-V52 WeakPolarHBondContact O-CA 3.42Å; M29-V52 HydrophobicContact CB-CG2 4.47Å; M29-V52 HydrophobicContact CG-CG2 4.34Å; V52-D54 PolarHBondContact O-N 3.17Å; V52-T55 PolarHBondContact N-O 3.15Å; V52-T55 WeakPolarHBondContact O-CB 3.37Å; V52-T55 PolarHBondContact O-N 2.77Å; V52-F57 HydrophobicContact CG2-CD1 3.92Å; V52-F57 HydrophobicContact CG2-CE1 3.94Å; V52-W75 HydrophobicContact CB-CH2 4.24Å; V52-W75 HydrophobicContact CB-CZ2 4.31Å; V52-W75 HydrophobicContact CG2-CH2 3.8Å; V52-W75 HydrophobicContact CG2-CZ2 4.37Å; V52-L192 HydrophobicContact CG1-CD1 3.6Å; V52-L192 HydrophobicContact CG2-CD1 4.23Å; V52-Y195 HydrophobicContact CG2-CD2 3.81Å; V52-Y195 HydrophobicContact CG2-CG 4.43Å; V52-L196 HydrophobicContact CG1-CD2 4.17Å; V52-L203 HydrophobicContact CB-CD1 4.31Å; V52-L203 HydrophobicContact CB-CD2 4.22Å; V52-L203 HydrophobicContact CG1-CD1 3.85Å; V52-L203 HydrophobicContact CG1-CD2 4.1Å
53	D	96.3	Very high	98	Very high	30 Å²	30	34.1 Å²	34.1	16%	0.16	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.9	-129	-165.4	-53.6	-44.7	0	0	0	110.7	H27 S28 T55	H27-D53 WeakPolarHBondContact CA-OD1 3.36Å; H27-D53 IonicContact CE1-OD2 2.74Å; H27-D53 IonicContact CG-OD2 2.71Å; H27-D53 IonicContact ND1-OD2 2.67Å; H27-D53 PolarHBondContact ND1-OD2 3.13Å; S28-D53 PolarHBondContact N-OD1 3.32Å; S28-D53 PolarHBondContact O-N 3.5Å; S28-D53 PolarHBondContact OG-OD1 3.3Å; D53-T55 VanDerWaalsContact C-N 3.3Å; D53-T55 PolarHBondContact O-N 3.38Å
54	D	96.3	Very high	98.1	Very high	63 Å²	63	31.6 Å²	31.6	34%	0.337	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-2.4	177.8	-64.8	-62.9	0	0	0	114	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 3.17Å; D54-Y233 HydrophobicContact CB-CE2 3.94Å; D54-P234 WeakPolarHBondContact OD2-CB 3.48Å; D54-A235 HydrophobicContact CB-CB 4.18Å; D54-A235 WeakPolarHBondContact OD1-CB 3.38Å; D54-A235 VanDerWaalsContact OD2-CB 3.28Å; D54-A235 WeakPolarHBondContact OD2-CB 3.4Å; D54-A235 PolarHBondContact OD2-N 3.29Å; D54-F265 HydrophobicContact CB-CE2 3.78Å; D54-F265 HydrophobicContact CB-CZ 3.79Å
55	T	96.9	Very high	98	Very high	28 Å²	28	36.1 Å²	36.1	17%	0.172	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	112.9	-176.8	-66.1	0	0	0	0	111.8	Y51 V52 D53 F57 A73 W75 L203 Y233	Y51-T55 WeakPolarHBondContact CA-O 3.39Å; V52-T55 PolarHBondContact N-O 3.15Å; V52-T55 WeakPolarHBondContact O-CB 3.37Å; V52-T55 PolarHBondContact O-N 2.77Å; D53-T55 VanDerWaalsContact C-N 3.3Å; D53-T55 PolarHBondContact O-N 3.38Å; T55-F57 PolarHBondContact O-N 3.46Å; T55-A73 HydrophobicContact CG2-CB 4.15Å; T55-W75 HydrophobicContact CG2-CZ2 4.35Å; T55-L203 HydrophobicContact CG2-CD2 4Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.43Å; T55-Y233 PolarHBondContact OG1-OH 2.97Å
56	Q	97.8	Very high	97.9	Very high	51 Å²	51	35.8 Å²	35.8	24%	0.238	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	123.9	171.7	-165.9	-173	-5.2	0	0	110.6	V49 G50 Y51 V58 R72	V49-Q56 VanDerWaalsContact CG1-NE2 3.28Å; G50-Q56 WeakPolarHBondContact O-CG 3.4Å; Y51-Q56 HydrophobicContact CD1-CB 4.06Å; Y51-Q56 HydrophobicContact CD2-CB 4.43Å; Y51-Q56 HydrophobicContact CD2-CG 4.2Å; Y51-Q56 HydrophobicContact CE1-CB 3.64Å; Y51-Q56 HydrophobicContact CE1-CG 4.33Å; Y51-Q56 HydrophobicContact CE2-CB 4.03Å; Y51-Q56 HydrophobicContact CE2-CG 3.79Å; Y51-Q56 HydrophobicContact CG-CB 4.43Å; Q56-V58 PolarHBondContact NE2-O 3.5Å; Q56-R72 HydrophobicContact CG-CB 4.2Å; Q56-R72 HydrophobicContact CG-CG 4.46Å; Q56-R72 CarbonylContact O-C 3.6Å; Q56-R72 WeakPolarHBondContact O-CB 3.38Å
57	F	98.1	Very high	97.8	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	-21.5	178.4	74.6	-89.7	0	0	0	114.4	M29 Y31 G50 V52 T55 P71 R72 A73 W75 V76 Y195	M29-F57 HydrophobicContact CG-CE1 4.37Å; M29-F57 HydrophobicContact SD-CZ 4.32Å; Y31-F57 HydrophobicContact CE1-CZ 4.11Å; Y31-F57 AromaticContact CZ-CZ 3.84Å; G50-F57 VanDerWaalsContact C-CD1 3.45Å; G50-F57 VanDerWaalsContact O-CD1 3.25Å; G50-F57 WeakPolarHBondContact O-CD1 3.47Å; G50-F57 PolarHBondContact O-N 2.89Å; V52-F57 HydrophobicContact CG2-CD1 3.92Å; V52-F57 HydrophobicContact CG2-CE1 3.94Å; T55-F57 PolarHBondContact O-N 3.46Å; F57-P71 CarbonylContact O-C 3.59Å; F57-R72 PolarHBondContact O-N 2.93Å; F57-A73 HydrophobicContact CB-CB 4.14Å; F57-W75 HydrophobicContact CB-CH2 3.2Å; F57-W75 HydrophobicContact CB-CZ2 3.49Å; F57-W75 VanDerWaalsContact CB-CZ2 3.49Å; F57-W75 HydrophobicContact CB-CZ3 3.89Å; F57-W75 AromaticContact CD1-CH2 3.87Å; F57-W75 HydrophobicContact CD1-CH2 3.87Å; F57-W75 HydrophobicContact CD2-CH2 4.09Å; F57-W75 HydrophobicContact CD2-CZ3 4.27Å; F57-W75 AromaticContact CG-CH2 3.48Å; F57-W75 HydrophobicContact CG-CH2 3.48Å; F57-W75 VanDerWaalsContact CG-CH2 3.48Å; F57-W75 HydrophobicContact CG-CZ2 4.21Å; F57-W75 HydrophobicContact CG-CZ3 4.09Å; F57-V76 HydrophobicContact CB-CG1 4.33Å; F57-V76 HydrophobicContact CD2-CB 4.48Å; F57-V76 HydrophobicContact CD2-CG1 4.38Å; F57-V76 HydrophobicContact CD2-CG2 4.21Å; F57-V76 VanDerWaalsContact O-CG1 3.3Å; F57-V76 WeakPolarHBondContact O-CG1 3.46Å; F57-Y195 HydrophobicContact CD2-CE2 4.49Å; F57-Y195 HydrophobicContact CE1-CE2 4.45Å; F57-Y195 AromaticContact CE2-CE2 3.79Å; F57-Y195 HydrophobicContact CE2-CE2 3.79Å; F57-Y195 HydrophobicContact CZ-CD2 4.4Å; F57-Y195 AromaticContact CZ-CE2 3.76Å; F57-Y195 HydrophobicContact CZ-CE2 3.76Å
58	V	98.3	Very high	97.8	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	148.1	-179	64.3	0	0	0	0	113.3	Y31 V49 G50 Q56 E70 W84 Y91	Y31-V58 HydrophobicContact CE1-CG1 4.23Å; V49-V58 WeakPolarHBondContact CA-O 3.12Å; G50-V58 PolarHBondContact N-O 3.37Å; G50-V58 PolarHBondContact O-N 2.85Å; Q56-V58 PolarHBondContact NE2-O 3.5Å; V58-E70 WeakPolarHBondContact CA-O 3.3Å; V58-W84 HydrophobicContact CG2-CZ3 4.05Å; V58-Y91 WeakPolarHBondContact CG1-OH 3.4Å; V58-Y91 HydrophobicContact CG2-CE2 4.22Å; V58-Y91 WeakPolarHBondContact CG2-OH 3.48Å
59	R	98.5	Very high	97.7	Very high	73 Å²	73	42.6 Å²	42.6	28%	0.275	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	150	168.9	-174.4	178.3	177.6	104.6	5.5	111	A48 V49 D61 E70 R72	A48-R59 CarbonylContact O-C 3.51Å; A48-R59 WeakPolarHBondContact O-CA 3.49Å; V49-R59 HydrophobicContact CG1-CG 4.36Å; R59-D61 IonicContact CZ-OD2 2.67Å; R59-D61 IonicContact NE-OD2 3.65Å; R59-D61 IonicContact NH2-OD2 2.75Å; R59-D61 PolarHBondContact NH2-OD2 3.01Å; R59-E70 PolarHBondContact N-O 2.84Å; R59-E70 PolarHBondContact O-N 2.94Å; R59-R72 HydrophobicContact CB-CG 4.01Å
60	F	98.8	Very high	97.7	Very high	4 Å²	4	43.8 Å²	43.8	2%	0.018	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	144.8	159.4	175.2	-78.6	0	0	0	109	F46 I47 A48 P67 R68 Y91 K92	F46-F60 AromaticContact CD1-CD1 3.79Å; F46-F60 HydrophobicContact CD1-CD1 3.79Å; F46-F60 AromaticContact CD1-CE1 3.88Å; F46-F60 HydrophobicContact CD1-CE1 3.88Å; F46-F60 HydrophobicContact CE1-CD1 4.08Å; F46-F60 HydrophobicContact CE1-CE1 4.43Å; I47-F60 WeakPolarHBondContact CA-O 3.44Å; A48-F60 HydrophobicContact CB-CB 4.26Å; A48-F60 PolarHBondContact N-O 2.84Å; A48-F60 PolarHBondContact O-N 2.79Å; F60-P67 HydrophobicContact CE1-CB 4.45Å; F60-P67 HydrophobicContact CE2-CB 3.89Å; F60-P67 HydrophobicContact CZ-CB 3.64Å; F60-R68 VanDerWaalsContact CD2-C 3.44Å; F60-R68 VanDerWaalsContact CD2-O 3.32Å; F60-R68 WeakPolarHBondContact CD2-O 3.17Å; F60-Y91 HydrophobicContact CB-CD1 4.38Å; F60-Y91 HydrophobicContact CB-CD2 3.56Å; F60-Y91 HydrophobicContact CB-CE2 4.04Å; F60-Y91 HydrophobicContact CB-CG 3.76Å; F60-Y91 HydrophobicContact CD1-CG 4.48Å; F60-Y91 AromaticContact CD2-CD2 3.7Å; F60-Y91 HydrophobicContact CD2-CD2 3.7Å; F60-Y91 AromaticContact CD2-CG 3.95Å; F60-Y91 HydrophobicContact CD2-CG 3.95Å; F60-Y91 AromaticContact CG-CD2 3.84Å; F60-Y91 HydrophobicContact CG-CD2 3.84Å; F60-Y91 AromaticContact CG-CG 3.83Å; F60-Y91 HydrophobicContact CG-CG 3.83Å; F60-K92 HydrophobicContact CE2-CG 4.11Å; F60-K92 HydrophobicContact CZ-CG 3.97Å
61	D	98.7	Very high	97.6	Very high	15 Å²	15	46 Å²	46	8%	0.08	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	124.4	176.4	-154.8	-42.8	0	0	0	109.7	R45 R59 D63 A64	R45-D61 IonicContact CZ-OD1 3.59Å; R45-D61 IonicContact CZ-OD2 3.46Å; R45-D61 IonicContact NE-OD1 3.69Å; R45-D61 PolarHBondContact NE-OD1 3.28Å; R45-D61 IonicContact NE-OD2 2.67Å; R45-D61 VanDerWaalsContact NH2-CG 3.3Å; R45-D61 IonicContact NH2-OD1 2.76Å; R45-D61 PolarHBondContact NH2-OD1 2.94Å; R45-D61 VanDerWaalsContact NH2-OD1 3.15Å; R45-D61 IonicContact NH2-OD2 3.43Å; R45-D61 PolarHBondContact NH2-OD2 2.95Å; R59-D61 IonicContact CZ-OD2 2.67Å; R59-D61 IonicContact NE-OD2 3.65Å; R59-D61 IonicContact NH2-OD2 2.75Å; R59-D61 PolarHBondContact NH2-OD2 3.01Å; D61-D63 PolarHBondContact O-N 2.96Å; D61-D63 PolarHBondContact OD1-N 3.32Å; D61-A64 HydrophobicContact CB-CB 4.48Å; D61-A64 WeakPolarHBondContact O-CB 3.2Å; D61-A64 PolarHBondContact O-N 2.65Å
62	S	98.3	Very high	97.6	Very high	34 Å²	34	48.6 Å²	48.6	24%	0.238	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-22.3	-178.6	65.8	0	0	0	0	113.8	R45 F46 P67	R45-S62 WeakPolarHBondContact CA-OG 3.31Å; F46-S62 PolarHBondContact N-OG 2.91Å; F46-S62 PolarHBondContact O-N 2.8Å; F46-S62 PolarHBondContact O-OG 2.8Å; S62-P67 WeakPolarHBondContact O-CG 3.44Å
63	D	97.7	Very high	97.4	Very high	68 Å²	68	48.9 Å²	48.9	36%	0.364	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	1.5	-176.6	-71.9	15.1	0	0	0	112.4	R38 R45 D61	R38-D63 IonicContact CZ-OD1 3.81Å; R38-D63 IonicContact CZ-OD2 2.77Å; R38-D63 IonicContact NH1-OD1 3.1Å; R38-D63 IonicContact NH1-OD2 3.78Å; R38-D63 PolarHBondContact NH1-OD2 3.03Å; R38-D63 IonicContact NH2-OD1 3.86Å; R38-D63 PolarHBondContact NH2-OD1 2.8Å; R38-D63 IonicContact NH2-OD2 3.49Å; R38-D63 PolarHBondContact NH2-OD2 3.4Å; R45-D63 VanDerWaalsContact CD-OD2 3.3Å; R45-D63 WeakPolarHBondContact CD-OD2 3.5Å; R45-D63 HydrophobicContact CG-CB 4.42Å; R45-D63 IonicContact NE-OD2 2.68Å; D61-D63 PolarHBondContact O-N 2.96Å; D61-D63 PolarHBondContact OD1-N 3.32Å
64	A	97.3	Very high	97.4	Very high	35 Å²	35	52.2 Å²	52.2	29%	0.289	29%	0.293	S	S	.	.	S	Bend	trans	-65.4	148.5	170.9	0	0	0	0	0	111.1	D61 S66 P67	D61-A64 HydrophobicContact CB-CB 4.48Å; D61-A64 WeakPolarHBondContact O-CB 3.2Å; D61-A64 PolarHBondContact O-N 2.65Å; A64-S66 PolarHBondContact O-N 2.78Å; A64-S66 VanDerWaalsContact O-N 3.12Å; A64-P67 VanDerWaalsContact O-CD 3.25Å; A64-P67 WeakPolarHBondContact O-CD 3.17Å; A64-P67 VanDerWaalsContact O-CG 3.32Å; A64-P67 WeakPolarHBondContact O-CG 3.43Å
65	A	96.8	Very high	97.3	Very high	120 Å²	120	49.9 Å²	49.9	99%	0.992	28%	0.28	S	S	*	.	S	Bend	trans	-61.7	-23.2	-179.6	0	0	0	0	0	113.8
66	S	96.1	Very high	97.3	Very high	86 Å²	86	48.5 Å²	48.5	60%	0.601	27%	0.271	S	S	*	.	S	Bend	trans	-140.4	91.3	168.3	-173.4	0	0	0	0	109.2	A64 R68	A64-S66 PolarHBondContact O-N 2.78Å; A64-S66 VanDerWaalsContact O-N 3.12Å; S66-R68 PolarHBondContact O-N 3.43Å; S66-R68 VanDerWaalsContact O-N 3.13Å
67	P	97	Very high	97.2	Very high	36 Å²	36	52 Å²	52	23%	0.234	29%	0.287	C	S	.	.			trans	-65.4	113.9	-174.1	-24.8	36.1	0	0	0	112	F60 S62 A64 K92	F60-P67 HydrophobicContact CE1-CB 4.45Å; F60-P67 HydrophobicContact CE2-CB 3.89Å; F60-P67 HydrophobicContact CZ-CB 3.64Å; S62-P67 WeakPolarHBondContact O-CG 3.44Å; A64-P67 VanDerWaalsContact O-CD 3.25Å; A64-P67 WeakPolarHBondContact O-CD 3.17Å; A64-P67 VanDerWaalsContact O-CG 3.32Å; A64-P67 WeakPolarHBondContact O-CG 3.43Å; P67-K92 WeakPolarHBondContact O-CE 3.06Å; P67-K92 PolarHBondContact O-NZ 3.24Å
68	R	97.8	Very high	96.9	Very high	151 Å²	151	58.2 Å²	58.2	57%	0.57	32%	0.317	S	S	*	.			trans	-144.7	164.4	177.2	62.3	-179.6	177.6	174.4	1.5	110.1	F60 S66 E70 T88	F60-R68 VanDerWaalsContact CD2-C 3.44Å; F60-R68 VanDerWaalsContact CD2-O 3.32Å; F60-R68 WeakPolarHBondContact CD2-O 3.17Å; S66-R68 PolarHBondContact O-N 3.43Å; S66-R68 VanDerWaalsContact O-N 3.13Å; R68-E70 HydrophobicContact CG-CG 4.2Å; R68-T88 HydrophobicContact CB-CG2 4.31Å
69	G	97.4	Very high	96.8	Very high	4 Å²	4	60 Å²	60	4%	0.041	33%	0.325	C	S	.	.			trans	-65.8	136.1	163.2	0	0	0	0	0	109.4	T88	G69-T88 PolarHBondContact N-OG1 2.82Å
70	E	97.5	Very high	96.6	Very high	50 Å²	50	58.2 Å²	58.2	23%	0.234	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	133.3	-179.3	-61	-179.3	146.4	0	0	109.9	V58 R59 R68 R72	V58-E70 WeakPolarHBondContact CA-O 3.3Å; R59-E70 PolarHBondContact N-O 2.84Å; R59-E70 PolarHBondContact O-N 2.94Å; R68-E70 HydrophobicContact CG-CG 4.2Å; E70-R72 IonicContact OE2-CZ 3.57Å; E70-R72 IonicContact OE2-NH2 3.65Å; E70-R72 PolarHBondContact OE2-NH2 2.92Å
71	P	97.8	Very high	96.5	Very high	47 Å²	47	62.8 Å²	62.8	31%	0.305	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	151.3	173.1	28.5	-35	0	0	0	111.4	F57 V76 E77 W84	F57-P71 CarbonylContact O-C 3.59Å; P71-V76 HydrophobicContact CB-CG1 3.85Å; P71-E77 HydrophobicContact CB-CG 3.65Å; P71-E77 HydrophobicContact CG-CG 3.9Å; P71-W84 HydrophobicContact CB-CH2 3.72Å; P71-W84 HydrophobicContact CB-CZ2 3.89Å; P71-W84 HydrophobicContact CG-CH2 4.32Å; P71-W84 HydrophobicContact CG-CZ2 4.33Å
72	R	97.3	Very high	96.4	Very high	126 Å²	126	70 Å²	70	48%	0.475	39%	0.393	S	S	.	.			trans	-135.6	-4.3	176.4	-60.3	-66.4	163.6	176.3	-4.9	113.7	Q56 F57 R59 E70	Q56-R72 HydrophobicContact CG-CB 4.2Å; Q56-R72 HydrophobicContact CG-CG 4.46Å; Q56-R72 CarbonylContact O-C 3.6Å; Q56-R72 WeakPolarHBondContact O-CB 3.38Å; F57-R72 PolarHBondContact O-N 2.93Å; R59-R72 HydrophobicContact CB-CG 4.01Å; E70-R72 IonicContact OE2-CZ 3.57Å; E70-R72 IonicContact OE2-NH2 3.65Å; E70-R72 PolarHBondContact OE2-NH2 2.92Å
73	A	95.8	Very high	96.4	Very high	5 Å²	5	68.7 Å²	68.7	4%	0.041	38%	0.383	C	S	.	.	S	Bend	trans	-135.4	143	170.7	0	0	0	0	0	110.2	T55 F57 W75 V76	T55-A73 HydrophobicContact CG2-CB 4.15Å; F57-A73 HydrophobicContact CB-CB 4.14Å; A73-W75 VanDerWaalsContact C-N 3.28Å; A73-W75 HydrophobicContact CB-CD2 4.26Å; A73-W75 HydrophobicContact CB-CG 4.43Å; A73-W75 HydrophobicContact CB-CZ2 4.13Å; A73-W75 PolarHBondContact O-N 3.22Å; A73-V76 WeakPolarHBondContact O-CG1 3.43Å; A73-V76 PolarHBondContact O-N 2.95Å
74	P	95.5	Very high	96.4	Very high	100 Å²	100	67.3 Å²	67.3	65%	0.649	37%	0.372	S	S	*	.	H	α-helix	trans	-59	-34.8	-174.2	-27	35.5	0	0	0	114.4	V76 E77	P74-V76 PolarHBondContact O-N 3.08Å; P74-V76 VanDerWaalsContact O-N 3.16Å; P74-E77 WeakPolarHBondContact O-CB 3.49Å; P74-E77 PolarHBondContact O-N 3.4Å
75	W	95.1	Very high	96.4	Very high	14 Å²	14	70.7 Å²	70.7	5%	0.053	39%	0.385	C	S	.	.	H	α-helix	trans	-69.2	-10.3	-176.4	54.1	-107.5	0	0	0	115.1	V52 T55 F57 A73 Q78 Y195 N198 G199 T202 L203	V52-W75 HydrophobicContact CB-CH2 4.24Å; V52-W75 HydrophobicContact CB-CZ2 4.31Å; V52-W75 HydrophobicContact CG2-CH2 3.8Å; V52-W75 HydrophobicContact CG2-CZ2 4.37Å; T55-W75 HydrophobicContact CG2-CZ2 4.35Å; F57-W75 HydrophobicContact CB-CH2 3.2Å; F57-W75 HydrophobicContact CB-CZ2 3.49Å; F57-W75 VanDerWaalsContact CB-CZ2 3.49Å; F57-W75 HydrophobicContact CB-CZ3 3.89Å; F57-W75 AromaticContact CD1-CH2 3.87Å; F57-W75 HydrophobicContact CD1-CH2 3.87Å; F57-W75 HydrophobicContact CD2-CH2 4.09Å; F57-W75 HydrophobicContact CD2-CZ3 4.27Å; F57-W75 AromaticContact CG-CH2 3.48Å; F57-W75 HydrophobicContact CG-CH2 3.48Å; F57-W75 VanDerWaalsContact CG-CH2 3.48Å; F57-W75 HydrophobicContact CG-CZ2 4.21Å; F57-W75 HydrophobicContact CG-CZ3 4.09Å; A73-W75 VanDerWaalsContact C-N 3.28Å; A73-W75 HydrophobicContact CB-CD2 4.26Å; A73-W75 HydrophobicContact CB-CG 4.43Å; A73-W75 HydrophobicContact CB-CZ2 4.13Å; A73-W75 PolarHBondContact O-N 3.22Å; W75-Q78 WeakPolarHBondContact O-CG 3.33Å; W75-Y195 HydrophobicContact CE3-CD1 4.24Å; W75-Y195 HydrophobicContact CE3-CG 4.37Å; W75-Y195 HydrophobicContact CH2-CD2 4.31Å; W75-Y195 HydrophobicContact CH2-CG 4.04Å; W75-Y195 AromaticContact CZ3-CD1 3.62Å; W75-Y195 HydrophobicContact CZ3-CD1 3.62Å; W75-Y195 HydrophobicContact CZ3-CD2 4.08Å; W75-Y195 HydrophobicContact CZ3-CE1 4.33Å; W75-Y195 AromaticContact CZ3-CG 3.48Å; W75-Y195 HydrophobicContact CZ3-CG 3.48Å; W75-Y195 VanDerWaalsContact CZ3-CG 3.48Å; W75-N198 HydrophobicContact CB-CB 4.46Å; W75-N198 WeakPolarHBondContact CB-O 3.31Å; W75-G199 VanDerWaalsContact CB-CA 3.45Å; W75-G199 VanDerWaalsContact CG-CA 3.42Å; W75-T202 PolarHBondContact NE1-OG1 3.04Å; W75-L203 HydrophobicContact CD2-CD1 4.42Å; W75-L203 HydrophobicContact CH2-CD1 4.34Å; W75-L203 HydrophobicContact CZ2-CD1 3.76Å; W75-L203 HydrophobicContact CZ2-CD2 4.01Å; W75-L203 HydrophobicContact CZ2-CG 4.3Å
76	V	96.5	Very high	96.4	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-100.6	-11.9	170.2	80.4	0	0	0	0	112.4	F57 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-V76 HydrophobicContact CB-CG1 4.33Å; F57-V76 HydrophobicContact CD2-CB 4.48Å; F57-V76 HydrophobicContact CD2-CG1 4.38Å; F57-V76 HydrophobicContact CD2-CG2 4.21Å; F57-V76 VanDerWaalsContact O-CG1 3.3Å; F57-V76 WeakPolarHBondContact O-CG1 3.46Å; P71-V76 HydrophobicContact CB-CG1 3.85Å; A73-V76 WeakPolarHBondContact O-CG1 3.43Å; A73-V76 PolarHBondContact O-N 2.95Å; P74-V76 PolarHBondContact O-N 3.08Å; P74-V76 VanDerWaalsContact O-N 3.16Å; V76-Q78 PolarHBondContact O-N 3.44Å; V76-E79 HydrophobicContact CG2-CB 4.39Å; V76-E79 HydrophobicContact CG2-CG 3.59Å; V76-E79 VanDerWaalsContact O-CB 3.3Å; V76-E79 WeakPolarHBondContact O-CB 3.25Å; V76-E79 WeakPolarHBondContact O-CG 3.38Å; V76-E79 PolarHBondContact O-N 2.9Å; V76-Y83 HydrophobicContact CG2-CE1 4.31Å; V76-W84 HydrophobicContact CG1-CH2 3.96Å; V76-W84 HydrophobicContact CG1-CZ2 4.1Å; V76-W84 HydrophobicContact CG2-CH2 4.22Å; V76-W84 HydrophobicContact CG2-CZ2 4.1Å; V76-W84 WeakPolarHBondContact O-CZ2 3.31Å; V76-Y195 HydrophobicContact CG2-CE1 4.29Å
77	E	94.6	Very high	96.5	Very high	123 Å²	123	65.7 Å²	65.7	58%	0.575	33%	0.328	S	S	*	.	H	α-helix	trans	-65	-21.6	177.8	-63.7	-174.8	179.7	0	0	113	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.65Å; P71-E77 HydrophobicContact CG-CG 3.9Å; P74-E77 WeakPolarHBondContact O-CB 3.49Å; P74-E77 PolarHBondContact O-N 3.4Å; E77-E79 VanDerWaalsContact C-N 3.29Å; E77-E79 PolarHBondContact O-N 2.84Å
78	Q	92.9	Very high	96.5	Very high	131 Å²	131	64.3 Å²	64.3	61%	0.612	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-9.4	172.9	66.7	178.6	16.7	0	0	114.5	W75 V76 G80 N198	W75-Q78 WeakPolarHBondContact O-CG 3.33Å; V76-Q78 PolarHBondContact O-N 3.44Å; Q78-G80 PolarHBondContact O-N 3.41Å; Q78-N198 PolarHBondContact NE2-ND2 3.23Å; Q78-N198 PolarHBondContact NE2-OD1 3.36Å
79	E	95.4	Very high	96.5	Very high	38 Å²	38	62 Å²	62	18%	0.178	32%	0.315	C	S	.	.	S	Bend	trans	-65.8	132.6	175.7	-71.8	-66.7	158.7	0	0	111.2	V76 E77 Y83 W84	V76-E79 HydrophobicContact CG2-CB 4.39Å; V76-E79 HydrophobicContact CG2-CG 3.59Å; V76-E79 VanDerWaalsContact O-CB 3.3Å; V76-E79 WeakPolarHBondContact O-CB 3.25Å; V76-E79 WeakPolarHBondContact O-CG 3.38Å; V76-E79 PolarHBondContact O-N 2.9Å; E77-E79 VanDerWaalsContact C-N 3.29Å; E77-E79 PolarHBondContact O-N 2.84Å; E79-Y83 HydrophobicContact CB-CD1 3.7Å; E79-Y83 HydrophobicContact CB-CD2 4.22Å; E79-Y83 HydrophobicContact CB-CE1 4.29Å; E79-Y83 HydrophobicContact CB-CG 3.7Å; E79-Y83 HydrophobicContact CG-CD1 4.13Å; E79-Y83 HydrophobicContact CG-CD2 4.02Å; E79-Y83 HydrophobicContact CG-CE1 4.32Å; E79-Y83 HydrophobicContact CG-CE2 4.21Å; E79-Y83 HydrophobicContact CG-CG 4.02Å; E79-Y83 WeakPolarHBondContact OE2-CD2 3Å; E79-W84 HydrophobicContact CB-CZ2 4.45Å; E79-W84 VanDerWaalsContact O-CD1 3.24Å; E79-W84 PolarHBondContact O-NE1 3.03Å
80	G	94.8	Very high	96.5	Very high	35 Å²	35	65 Å²	65	36%	0.361	33%	0.326	S	S	.	.			trans	-67.6	167.1	-174.2	0	0	0	0	0	114.6	Q78 E82 Y83 W84	Q78-G80 PolarHBondContact O-N 3.41Å; G80-E82 PolarHBondContact O-N 3.23Å; G80-E82 VanDerWaalsContact O-N 3.16Å; G80-Y83 VanDerWaalsContact O-CB 3.29Å; G80-Y83 WeakPolarHBondContact O-CB 2.95Å; G80-Y83 PolarHBondContact O-N 3.34Å; G80-W84 PolarHBondContact O-N 3.36Å
81	P	96.3	Very high	96.6	Very high	101 Å²	101	62.7 Å²	62.7	66%	0.656	32%	0.315	S	S	*	.	H	α-helix	trans	-57.4	-34.7	-177.8	23	-33.7	0	0	0	113.2	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.27Å; P81-Y83 PolarHBondContact O-N 2.84Å; P81-W84 PolarHBondContact O-N 3.15Å; P81-W84 VanDerWaalsContact O-N 3.14Å; P81-D85 PolarHBondContact O-N 3.14Å
82	E	97.1	Very high	96.6	Very high	166 Å²	166	64.3 Å²	64.3	78%	0.776	32%	0.318	S	S	*	.	H	α-helix	trans	-60.7	-33.9	176.5	-61.1	-173.4	-179.8	0	0	113.2	G80 R86	G80-E82 PolarHBondContact O-N 3.23Å; G80-E82 VanDerWaalsContact O-N 3.16Å; E82-R86 WeakPolarHBondContact O-CB 3.46Å; E82-R86 PolarHBondContact O-N 2.97Å
83	Y	96.9	Very high	96.7	Very high	7 Å²	7	66 Å²	66	3%	0.027	32%	0.324	C	S	.	.	H	α-helix	trans	-63.6	-54.2	172.1	172.8	-83.2	0	0	0	109.8	V76 E79 G80 P81 D85 R86 E87 W191 Y195	V76-Y83 HydrophobicContact CG2-CE1 4.31Å; E79-Y83 HydrophobicContact CB-CD1 3.7Å; E79-Y83 HydrophobicContact CB-CD2 4.22Å; E79-Y83 HydrophobicContact CB-CE1 4.29Å; E79-Y83 HydrophobicContact CB-CG 3.7Å; E79-Y83 HydrophobicContact CG-CD1 4.13Å; E79-Y83 HydrophobicContact CG-CD2 4.02Å; E79-Y83 HydrophobicContact CG-CE1 4.32Å; E79-Y83 HydrophobicContact CG-CE2 4.21Å; E79-Y83 HydrophobicContact CG-CG 4.02Å; E79-Y83 WeakPolarHBondContact OE2-CD2 3Å; G80-Y83 VanDerWaalsContact O-CB 3.29Å; G80-Y83 WeakPolarHBondContact O-CB 2.95Å; G80-Y83 PolarHBondContact O-N 3.34Å; P81-Y83 VanDerWaalsContact C-N 3.27Å; P81-Y83 PolarHBondContact O-N 2.84Å; Y83-D85 VanDerWaalsContact C-N 3.35Å; Y83-D85 PolarHBondContact O-N 2.73Å; Y83-R86 PolarHBondContact O-N 2.94Å; Y83-R86 VanDerWaalsContact O-N 3.14Å; Y83-E87 HydrophobicContact CD1-CG 4.12Å; Y83-E87 HydrophobicContact CD2-CG 4.41Å; Y83-E87 HydrophobicContact CE1-CG 3.74Å; Y83-E87 HydrophobicContact CE2-CG 4.06Å; Y83-E87 HydrophobicContact CG-CG 4.41Å; Y83-E87 WeakPolarHBondContact O-CG 3.15Å; Y83-E87 PolarHBondContact O-N 2.98Å; Y83-W191 AromaticContact CD2-CH2 3.71Å; Y83-W191 HydrophobicContact CD2-CH2 3.71Å; Y83-W191 HydrophobicContact CD2-CZ2 4.4Å; Y83-W191 AromaticContact CD2-CZ3 3.83Å; Y83-W191 HydrophobicContact CD2-CZ3 3.83Å; Y83-W191 HydrophobicContact CE2-CE3 4.17Å; Y83-W191 HydrophobicContact CE2-CH2 4.03Å; Y83-W191 AromaticContact CE2-CZ3 3.77Å; Y83-W191 HydrophobicContact CE2-CZ3 3.77Å; Y83-Y195 WeakPolarHBondContact CE2-OH 2.98Å; Y83-Y195 PolarHBondContact OH-OH 3.4Å
84	W	97.8	Very high	96.8	Very high	39 Å²	39	67.4 Å²	67.4	15%	0.148	33%	0.33	C	S	.	.	H	α-helix	trans	-64.1	-37.7	-174.7	-68.3	107.6	0	0	0	112.9	V58 P71 V76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG2-CZ3 4.05Å; P71-W84 HydrophobicContact CB-CH2 3.72Å; P71-W84 HydrophobicContact CB-CZ2 3.89Å; P71-W84 HydrophobicContact CG-CH2 4.32Å; P71-W84 HydrophobicContact CG-CZ2 4.33Å; V76-W84 HydrophobicContact CG1-CH2 3.96Å; V76-W84 HydrophobicContact CG1-CZ2 4.1Å; V76-W84 HydrophobicContact CG2-CH2 4.22Å; V76-W84 HydrophobicContact CG2-CZ2 4.1Å; V76-W84 WeakPolarHBondContact O-CZ2 3.31Å; E79-W84 HydrophobicContact CB-CZ2 4.45Å; E79-W84 VanDerWaalsContact O-CD1 3.24Å; E79-W84 PolarHBondContact O-NE1 3.03Å; G80-W84 PolarHBondContact O-N 3.36Å; P81-W84 PolarHBondContact O-N 3.15Å; P81-W84 VanDerWaalsContact O-N 3.14Å; W84-T88 WeakPolarHBondContact O-CB 3.23Å; W84-T88 PolarHBondContact O-N 2.86Å; W84-T88 PolarHBondContact O-OG1 2.87Å
85	D	97.8	Very high	96.9	Very high	105 Å²	105	63.5 Å²	63.5	56%	0.561	31%	0.306	S	S	*	.	H	α-helix	trans	-66.5	-45.8	172.3	-82.9	-31.7	0	0	0	111.6	P81 Y83 E87 T88 Q89	P81-D85 PolarHBondContact O-N 3.14Å; Y83-D85 VanDerWaalsContact C-N 3.35Å; Y83-D85 PolarHBondContact O-N 2.73Å; D85-E87 PolarHBondContact O-N 3.15Å; D85-T88 PolarHBondContact O-N 2.94Å; D85-Q89 WeakPolarHBondContact O-CB 3.21Å; D85-Q89 VanDerWaalsContact O-CG 3.26Å; D85-Q89 WeakPolarHBondContact O-CG 3.14Å; D85-Q89 PolarHBondContact O-N 2.81Å
86	R	97.1	Very high	97.1	Very high	98 Å²	98	67.7 Å²	67.7	37%	0.37	33%	0.326	S	S	.	.	H	α-helix	trans	-62	-44.4	179.2	-176	-172.3	68.8	-149.2	-3.8	112.3	E82 Y83 Q89 K90	E82-R86 WeakPolarHBondContact O-CB 3.46Å; E82-R86 PolarHBondContact O-N 2.97Å; Y83-R86 PolarHBondContact O-N 2.94Å; Y83-R86 VanDerWaalsContact O-N 3.14Å; R86-Q89 PolarHBondContact O-N 2.89Å; R86-K90 WeakPolarHBondContact O-CG 3.46Å; R86-K90 PolarHBondContact O-N 2.86Å
87	E	97.4	Very high	97.1	Very high	4 Å²	4	69.6 Å²	69.6	2%	0.019	34%	0.342	C	S	.	.	H	α-helix	trans	-68.9	-41.9	175.9	-57.6	-38.1	115.4	0	0	111.3	Y83 D85 Q89 K90 Y91	Y83-E87 HydrophobicContact CD1-CG 4.12Å; Y83-E87 HydrophobicContact CD2-CG 4.41Å; Y83-E87 HydrophobicContact CE1-CG 3.74Å; Y83-E87 HydrophobicContact CE2-CG 4.06Å; Y83-E87 HydrophobicContact CG-CG 4.41Å; Y83-E87 WeakPolarHBondContact O-CG 3.15Å; Y83-E87 PolarHBondContact O-N 2.98Å; D85-E87 PolarHBondContact O-N 3.15Å; E87-Q89 VanDerWaalsContact C-N 3.28Å; E87-Q89 PolarHBondContact O-N 3.29Å; E87-K90 WeakPolarHBondContact O-CB 3.45Å; E87-K90 PolarHBondContact O-N 2.92Å; E87-K90 IonicContact OE1-NZ 2.69Å; E87-K90 PolarHBondContact OE1-NZ 2.79Å; E87-K90 WeakPolarHBondContact OE2-CD 3.37Å; E87-K90 WeakPolarHBondContact OE2-CE 3.12Å; E87-K90 IonicContact OE2-NZ 3.27Å; E87-K90 PolarHBondContact OE2-NZ 2.94Å; E87-Y91 HydrophobicContact CB-CE2 3.97Å; E87-Y91 WeakPolarHBondContact O-CD2 3.47Å; E87-Y91 PolarHBondContact O-N 2.88Å
88	T	98.3	Very high	97.3	Very high	7 Å²	7	63.9 Å²	63.9	4%	0.043	32%	0.315	C	S	.	.	H	α-helix	trans	-55.1	-42.2	171.9	-66.4	0	0	0	0	112.2	R68 G69 W84 D85 Y91 K92	R68-T88 HydrophobicContact CB-CG2 4.31Å; G69-T88 PolarHBondContact N-OG1 2.82Å; W84-T88 WeakPolarHBondContact O-CB 3.23Å; W84-T88 PolarHBondContact O-N 2.86Å; W84-T88 PolarHBondContact O-OG1 2.87Å; D85-T88 PolarHBondContact O-N 2.94Å; T88-Y91 PolarHBondContact O-N 2.8Å; T88-K92 HydrophobicContact CG2-CD 3.89Å; T88-K92 VanDerWaalsContact CG2-NZ 3.34Å; T88-K92 WeakPolarHBondContact O-CB 3.35Å; T88-K92 WeakPolarHBondContact O-CG 3.42Å; T88-K92 PolarHBondContact O-N 3.19Å
89	Q	98.3	Very high	97.5	Very high	103 Å²	103	60.9 Å²	60.9	48%	0.481	30%	0.298	S	S	.	.	H	α-helix	trans	-76	-22.8	177.5	-65.8	-64.8	-4.2	0	0	113.4	D85 R86 E87 R93	D85-Q89 WeakPolarHBondContact O-CB 3.21Å; D85-Q89 VanDerWaalsContact O-CG 3.26Å; D85-Q89 WeakPolarHBondContact O-CG 3.14Å; D85-Q89 PolarHBondContact O-N 2.81Å; R86-Q89 PolarHBondContact O-N 2.89Å; E87-Q89 VanDerWaalsContact C-N 3.28Å; E87-Q89 PolarHBondContact O-N 3.29Å; Q89-R93 WeakPolarHBondContact O-CB 3.26Å; Q89-R93 VanDerWaalsContact O-CG 3.29Å; Q89-R93 WeakPolarHBondContact O-CG 3.34Å; Q89-R93 PolarHBondContact O-N 2.82Å; Q89-R93 PolarHBondContact O-NE 2.83Å
90	K	97.4	Very high	97.6	Very high	67 Å²	67	62.1 Å²	62.1	29%	0.291	31%	0.308	S	S	.	.	H	α-helix	trans	-68.7	-51.5	166.6	-76.1	159	164.4	177.9	0	110.4	R86 E87 K92 R93 Q94	R86-K90 WeakPolarHBondContact O-CG 3.46Å; R86-K90 PolarHBondContact O-N 2.86Å; E87-K90 WeakPolarHBondContact O-CB 3.45Å; E87-K90 PolarHBondContact O-N 2.92Å; E87-K90 IonicContact OE1-NZ 2.69Å; E87-K90 PolarHBondContact OE1-NZ 2.79Å; E87-K90 WeakPolarHBondContact OE2-CD 3.37Å; E87-K90 WeakPolarHBondContact OE2-CE 3.12Å; E87-K90 IonicContact OE2-NZ 3.27Å; E87-K90 PolarHBondContact OE2-NZ 2.94Å; K90-K92 PolarHBondContact O-N 2.82Å; K90-R93 PolarHBondContact O-N 3.01Å; K90-Q94 PolarHBondContact O-N 2.02Å
91	Y	98.5	Very high	97.8	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-59.5	-44.6	179.3	-60	-47.8	0	0	0	112.3	Y33 A48 V58 F60 E87 T88 R93 Q94 A95	Y33-Y91 HydrophobicContact CE1-CD1 4.05Å; Y33-Y91 AromaticContact CE1-CE1 3.77Å; Y33-Y91 HydrophobicContact CE1-CE1 3.77Å; Y33-Y91 AromaticContact CZ-CE1 3.97Å; Y33-Y91 WeakPolarHBondContact OH-CE1 3.42Å; A48-Y91 HydrophobicContact CB-CD1 3.67Å; A48-Y91 HydrophobicContact CB-CE1 3.75Å; A48-Y91 HydrophobicContact CB-CG 4.48Å; V58-Y91 WeakPolarHBondContact CG1-OH 3.4Å; V58-Y91 HydrophobicContact CG2-CE2 4.22Å; V58-Y91 WeakPolarHBondContact CG2-OH 3.48Å; F60-Y91 HydrophobicContact CB-CD1 4.38Å; F60-Y91 HydrophobicContact CB-CD2 3.56Å; F60-Y91 HydrophobicContact CB-CE2 4.04Å; F60-Y91 HydrophobicContact CB-CG 3.76Å; F60-Y91 HydrophobicContact CD1-CG 4.48Å; F60-Y91 AromaticContact CD2-CD2 3.7Å; F60-Y91 HydrophobicContact CD2-CD2 3.7Å; F60-Y91 AromaticContact CD2-CG 3.95Å; F60-Y91 HydrophobicContact CD2-CG 3.95Å; F60-Y91 AromaticContact CG-CD2 3.84Å; F60-Y91 HydrophobicContact CG-CD2 3.84Å; F60-Y91 AromaticContact CG-CG 3.83Å; F60-Y91 HydrophobicContact CG-CG 3.83Å; E87-Y91 HydrophobicContact CB-CE2 3.97Å; E87-Y91 WeakPolarHBondContact O-CD2 3.47Å; E87-Y91 PolarHBondContact O-N 2.88Å; T88-Y91 PolarHBondContact O-N 2.8Å; Y91-R93 PolarHBondContact O-N 2.82Å; Y91-Q94 PolarHBondContact O-N 2.96Å; Y91-A95 WeakPolarHBondContact O-CB 3.47Å; Y91-A95 PolarHBondContact O-N 3.04Å
92	K	98.4	Very high	97.8	Very high	81 Å²	81	58.3 Å²	58.3	35%	0.352	27%	0.274	S	S	.	.	H	α-helix	trans	-62.6	-38.3	176.7	-74.8	172.7	-179.7	167.2	0	113.2	F60 P67 T88 K90 Q96	F60-K92 HydrophobicContact CE2-CG 4.11Å; F60-K92 HydrophobicContact CZ-CG 3.97Å; P67-K92 WeakPolarHBondContact O-CE 3.06Å; P67-K92 PolarHBondContact O-NZ 3.24Å; T88-K92 HydrophobicContact CG2-CD 3.89Å; T88-K92 VanDerWaalsContact CG2-NZ 3.34Å; T88-K92 WeakPolarHBondContact O-CB 3.35Å; T88-K92 WeakPolarHBondContact O-CG 3.42Å; T88-K92 PolarHBondContact O-N 3.19Å; K90-K92 PolarHBondContact O-N 2.82Å; K92-Q96 PolarHBondContact O-N 2.89Å
93	R	98.3	Very high	97.8	Very high	162 Å²	162	56.3 Å²	56.3	61%	0.611	26%	0.259	S	S	*	.	H	α-helix	trans	-68.2	-42.9	174.1	-77.4	179.9	-68.8	167.4	-2.8	112.1	Q89 K90 Y91 Q96 A97	Q89-R93 WeakPolarHBondContact O-CB 3.26Å; Q89-R93 VanDerWaalsContact O-CG 3.29Å; Q89-R93 WeakPolarHBondContact O-CG 3.34Å; Q89-R93 PolarHBondContact O-N 2.82Å; Q89-R93 PolarHBondContact O-NE 2.83Å; K90-R93 PolarHBondContact O-N 3.01Å; Y91-R93 PolarHBondContact O-N 2.82Å; R93-Q96 PolarHBondContact O-N 2.94Å; R93-A97 PolarHBondContact O-N 3.33Å
94	Q	98.2	Very high	97.8	Very high	35 Å²	35	60.7 Å²	60.7	16%	0.164	28%	0.279	C	S	.	.	H	α-helix	trans	-62.6	-43.8	176.7	-175.5	71.1	46.1	0	0	111.6	Y33 F46 K90 Y91 Q96 A97 D98	Y33-Q94 HydrophobicContact CD2-CG 3.57Å; Y33-Q94 HydrophobicContact CE2-CB 4.33Å; Y33-Q94 HydrophobicContact CE2-CG 3.68Å; F46-Q94 HydrophobicContact CE2-CB 4.22Å; F46-Q94 HydrophobicContact CE2-CG 3.58Å; F46-Q94 HydrophobicContact CZ-CB 3.95Å; F46-Q94 HydrophobicContact CZ-CG 3.63Å; K90-Q94 PolarHBondContact O-N 2.02Å; Y91-Q94 PolarHBondContact O-N 2.96Å; Q94-Q96 VanDerWaalsContact C-N 3.3Å; Q94-Q96 PolarHBondContact O-N 2.81Å; Q94-A97 WeakPolarHBondContact O-CA 3.34Å; Q94-A97 WeakPolarHBondContact O-CB 3.33Å; Q94-A97 PolarHBondContact O-N 3.14Å; Q94-D98 WeakPolarHBondContact CG-OD2 3.39Å; Q94-D98 VanDerWaalsContact NE2-CG 3.27Å; Q94-D98 PolarHBondContact NE2-OD1 2.93Å; Q94-D98 PolarHBondContact NE2-OD2 2.92Å; Q94-D98 PolarHBondContact O-N 3.14Å
95	A	98.3	Very high	97.8	Very high	18 Å²	18	59.4 Å²	59.4	15%	0.149	27%	0.274	C	S	.	.	H	α-helix	trans	-57	-40.6	176.5	0	0	0	0	0	112.8	F46 Y91 R99	F46-A95 HydrophobicContact CB-CB 3.65Å; F46-A95 HydrophobicContact CD1-CB 3.84Å; F46-A95 HydrophobicContact CD2-CB 4.11Å; F46-A95 HydrophobicContact CG-CB 3.59Å; Y91-A95 WeakPolarHBondContact O-CB 3.47Å; Y91-A95 PolarHBondContact O-N 3.04Å; A95-R99 VanDerWaalsContact O-CB 3.27Å; A95-R99 WeakPolarHBondContact O-CB 3.01Å; A95-R99 PolarHBondContact O-N 3.37Å
96	Q	98.1	Very high	97.7	Very high	102 Å²	102	57.3 Å²	57.3	48%	0.477	26%	0.259	S	S	.	.	H	α-helix	trans	-71.6	-35.1	174.4	-64.8	-60.7	-31.9	0	0	112.6	K92 R93 Q94 R99 V100	K92-Q96 PolarHBondContact O-N 2.89Å; R93-Q96 PolarHBondContact O-N 2.94Å; Q94-Q96 VanDerWaalsContact C-N 3.3Å; Q94-Q96 PolarHBondContact O-N 2.81Å; Q96-R99 VanDerWaalsContact OE1-CD 3.26Å; Q96-V100 WeakPolarHBondContact O-CG2 3.35Å; Q96-V100 PolarHBondContact O-N 2.84Å
97	A	97.8	Very high	97.7	Very high	40 Å²	40	54.8 Å²	54.8	33%	0.331	26%	0.263	S	S	.	.	H	α-helix	trans	-62.4	-46.9	173.3	0	0	0	0	0	111.2	R93 Q94 V100 N101	R93-A97 PolarHBondContact O-N 3.33Å; Q94-A97 WeakPolarHBondContact O-CA 3.34Å; Q94-A97 WeakPolarHBondContact O-CB 3.33Å; Q94-A97 PolarHBondContact O-N 3.14Å; A97-V100 CarbonylContact O-C 3.52Å; A97-V100 WeakPolarHBondContact O-CA 3.49Å; A97-V100 WeakPolarHBondContact O-CB 3.42Å; A97-V100 PolarHBondContact O-N 3.01Å; A97-V100 VanDerWaalsContact O-N 3.09Å; A97-N101 PolarHBondContact O-N 3.23Å; A97-N101 PolarHBondContact O-ND2 2.03Å; A97-N101 PolarHBondContact O-OD1 3.08Å
98	D	97.9	Very high	97.7	Very high	2 Å²	2	57.2 Å²	57.2	1%	0.011	27%	0.273	C	S	.	.	H	α-helix	trans	-74.1	-31.6	-177.7	-66	-31.5	0	0	0	113	A35 Q94 V100 N101 L102	A35-D98 HydrophobicContact CB-CB 3.68Å; Q94-D98 WeakPolarHBondContact CG-OD2 3.39Å; Q94-D98 VanDerWaalsContact NE2-CG 3.27Å; Q94-D98 PolarHBondContact NE2-OD1 2.93Å; Q94-D98 PolarHBondContact NE2-OD2 2.92Å; Q94-D98 PolarHBondContact O-N 3.14Å; D98-V100 PolarHBondContact O-N 2.82Å; D98-N101 PolarHBondContact O-N 3.24Å; D98-N101 VanDerWaalsContact O-N 3.16Å; D98-N101 PolarHBondContact OD1-ND2 3.43Å; D98-N101 VanDerWaalsContact OD1-ND2 3.07Å; D98-L102 WeakPolarHBondContact O-CB 3.35Å; D98-L102 WeakPolarHBondContact O-CD1 3.48Å; D98-L102 VanDerWaalsContact O-CG 3.31Å; D98-L102 WeakPolarHBondContact O-CG 3.33Å; D98-L102 PolarHBondContact O-N 2.98Å
99	R	97.7	Very high	97.7	Very high	69 Å²	69	60.1 Å²	60.1	26%	0.26	28%	0.283	S	S	.	.	H	α-helix	trans	-54.2	-38.6	164.6	175.9	-170.3	-178.5	-143.8	0.2	112.4	E43 P44 A95 Q96	E43-R99 VanDerWaalsContact CD-NH2 3.33Å; E43-R99 IonicContact OE1-CZ 2.74Å; E43-R99 IonicContact OE1-NE 2.78Å; E43-R99 PolarHBondContact OE1-NE 3.03Å; E43-R99 IonicContact OE1-NH2 3.81Å; E43-R99 PolarHBondContact OE1-NH2 3.49Å; E43-R99 WeakPolarHBondContact OE2-CD 3.45Å; E43-R99 IonicContact OE2-CZ 3.22Å; E43-R99 IonicContact OE2-NE 2.86Å; E43-R99 PolarHBondContact OE2-NE 3.23Å; E43-R99 IonicContact OE2-NH2 2.78Å; P44-R99 HydrophobicContact CG-CB 4.44Å; P44-R99 HydrophobicContact CG-CG 4.36Å; A95-R99 VanDerWaalsContact O-CB 3.27Å; A95-R99 WeakPolarHBondContact O-CB 3.01Å; A95-R99 PolarHBondContact O-N 3.37Å; Q96-R99 VanDerWaalsContact OE1-CD 3.26Å
100	V	97.7	Very high	97.6	Very high	63 Å²	63	62.4 Å²	62.4	38%	0.382	30%	0.299	S	S	.	.	H	α-helix	trans	-78.3	-37.8	175.3	170.3	0	0	0	0	111.5	Q96 A97 D98 R103 K104	Q96-V100 WeakPolarHBondContact O-CG2 3.35Å; Q96-V100 PolarHBondContact O-N 2.84Å; A97-V100 CarbonylContact O-C 3.52Å; A97-V100 WeakPolarHBondContact O-CA 3.49Å; A97-V100 WeakPolarHBondContact O-CB 3.42Å; A97-V100 PolarHBondContact O-N 3.01Å; A97-V100 VanDerWaalsContact O-N 3.09Å; D98-V100 PolarHBondContact O-N 2.82Å; V100-R103 PolarHBondContact O-N 2.99Å; V100-K104 HydrophobicContact CG1-CD 4.29Å; V100-K104 WeakPolarHBondContact O-CG 3.22Å; V100-K104 PolarHBondContact O-N 3.16Å
101	N	97.8	Very high	97.6	Very high	49 Å²	49	62 Å²	62	26%	0.262	30%	0.298	S	S	.	.	H	α-helix	trans	-66.5	-42.1	178.8	-62.7	-29.4	0	0	0	111.7	A97 D98 R103 K104 L105 I119	A97-N101 PolarHBondContact O-N 3.23Å; A97-N101 PolarHBondContact O-ND2 2.03Å; A97-N101 PolarHBondContact O-OD1 3.08Å; D98-N101 PolarHBondContact O-N 3.24Å; D98-N101 VanDerWaalsContact O-N 3.16Å; D98-N101 PolarHBondContact OD1-ND2 3.43Å; D98-N101 VanDerWaalsContact OD1-ND2 3.07Å; N101-R103 PolarHBondContact O-N 2.87Å; N101-K104 WeakPolarHBondContact O-CA 3.4Å; N101-K104 WeakPolarHBondContact O-CB 3.41Å; N101-K104 PolarHBondContact O-N 2.96Å; N101-L105 WeakPolarHBondContact O-CG 3.27Å; N101-L105 PolarHBondContact O-N 3.24Å; N101-I119 HydrophobicContact CB-CD1 3.48Å; N101-I119 VanDerWaalsContact CB-CD1 3.48Å
102	L	98.1	Very high	97.4	Very high	7 Å²	7	65.7 Å²	65.7	4%	0.037	32%	0.324	C	S	.	.	H	α-helix	trans	-52.6	-42.8	174.9	-80.3	159.4	0	0	0	111.7	A35 P44 D98 R106 H117 I119 Y142	A35-L102 HydrophobicContact CB-CD1 4.08Å; P44-L102 HydrophobicContact CB-CD1 3.62Å; P44-L102 HydrophobicContact CG-CD1 3.71Å; D98-L102 WeakPolarHBondContact O-CB 3.35Å; D98-L102 WeakPolarHBondContact O-CD1 3.48Å; D98-L102 VanDerWaalsContact O-CG 3.31Å; D98-L102 WeakPolarHBondContact O-CG 3.33Å; D98-L102 PolarHBondContact O-N 2.98Å; L102-R106 VanDerWaalsContact O-CB 3.25Å; L102-R106 WeakPolarHBondContact O-CB 3.48Å; L102-R106 PolarHBondContact O-N 2.93Å; L102-R106 VanDerWaalsContact O-N 3.15Å; L102-H117 HydrophobicContact CD2-CB 4.13Å; L102-H117 WeakPolarHBondContact CD2-O 3.43Å; L102-I119 HydrophobicContact CD2-CD1 4.21Å; L102-I119 HydrophobicContact CD2-CG1 3.88Å; L102-I119 HydrophobicContact CG-CD1 3.84Å; L102-I119 HydrophobicContact CG-CG1 4.03Å; L102-Y142 HydrophobicContact CD2-CE2 4.28Å
103	R	96.3	Very high	97.1	Very high	124 Å²	124	68.6 Å²	68.6	47%	0.468	34%	0.338	S	S	.	.	H	α-helix	trans	-68.5	-36.5	176.5	-62.4	173.6	-171.7	170.9	1.8	112.6	E43 V100 N101 G107	E43-R103 IonicContact OE1-NH2 3.66Å; E43-R103 IonicContact OE2-NH2 3.77Å; E43-R103 PolarHBondContact OE2-NH2 3.16Å; V100-R103 PolarHBondContact O-N 2.99Å; N101-R103 PolarHBondContact O-N 2.87Å; R103-G107 PolarHBondContact O-N 3.18Å
104	K	96.9	Very high	96.9	Very high	100 Å²	100	64.9 Å²	64.9	44%	0.435	34%	0.343	S	S	.	.	H	α-helix	trans	-69.7	-48.4	177	-69.6	169.4	-177.9	163.9	0	112.1	V100 N101 G107 Y108	V100-K104 HydrophobicContact CG1-CD 4.29Å; V100-K104 WeakPolarHBondContact O-CG 3.22Å; V100-K104 PolarHBondContact O-N 3.16Å; N101-K104 WeakPolarHBondContact O-CA 3.4Å; N101-K104 WeakPolarHBondContact O-CB 3.41Å; N101-K104 PolarHBondContact O-N 2.96Å; K104-G107 CarbonylContact O-C 3.52Å; K104-G107 WeakPolarHBondContact O-CA 3.42Å; K104-G107 PolarHBondContact O-N 3.27Å; K104-G107 VanDerWaalsContact O-N 3.11Å; K104-Y108 WeakPolarHBondContact O-CD1 3.37Å; K104-Y108 PolarHBondContact O-N 2.65Å
105	L	97.7	Very high	96.7	Very high	11 Å²	11	64.2 Å²	64.2	6%	0.058	35%	0.345	C	S	.	.	H	α-helix	trans	-63.2	-48.2	-178.4	-64	-178.2	0	0	0	110.9	N101 G107 Y108 Y109 I119 Y142 Y147	N101-L105 WeakPolarHBondContact O-CG 3.27Å; N101-L105 PolarHBondContact O-N 3.24Å; L105-G107 PolarHBondContact O-N 2.79Å; L105-G107 VanDerWaalsContact O-N 3.11Å; L105-Y108 HydrophobicContact CD2-CD2 4.04Å; L105-Y108 HydrophobicContact CD2-CE2 4.33Å; L105-Y108 PolarHBondContact O-N 2.72Å; L105-Y109 HydrophobicContact CB-CD2 4.45Å; L105-Y109 VanDerWaalsContact O-CD2 3.26Å; L105-Y109 WeakPolarHBondContact O-CD2 3.4Å; L105-Y109 PolarHBondContact O-N 3.24Å; L105-I119 HydrophobicContact CD1-CD1 3.61Å; L105-I119 HydrophobicContact CD1-CG1 3.72Å; L105-Y142 HydrophobicContact CB-CD1 4.24Å; L105-Y142 HydrophobicContact CB-CD2 4.21Å; L105-Y142 HydrophobicContact CB-CE1 3.84Å; L105-Y142 HydrophobicContact CB-CE2 3.84Å; L105-Y142 HydrophobicContact CB-CG 4.4Å; L105-Y142 HydrophobicContact CD1-CD1 4.34Å; L105-Y142 HydrophobicContact CD1-CD2 3.42Å; L105-Y142 VanDerWaalsContact CD1-CD2 3.42Å; L105-Y142 HydrophobicContact CD1-CE2 3.8Å; L105-Y142 HydrophobicContact CD1-CG 3.72Å; L105-Y142 HydrophobicContact CG-CD2 4.46Å; L105-Y142 HydrophobicContact CG-CE2 4.48Å; L105-Y147 HydrophobicContact CD2-CD2 4.5Å; L105-Y147 HydrophobicContact CD2-CE1 3.8Å; L105-Y147 HydrophobicContact CD2-CE2 3.69Å; L105-Y147 VanDerWaalsContact CD2-OH 3.22Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.33Å
106	R	96.6	Very high	96.6	Very high	61 Å²	61	67.2 Å²	67.2	23%	0.23	37%	0.365	C	S	.	.	H	α-helix	trans	-51.6	-37	172.4	-169	-165.2	67.6	175.7	7	112.3	L102 N110 Q111 E113 Y142	L102-R106 VanDerWaalsContact O-CB 3.25Å; L102-R106 WeakPolarHBondContact O-CB 3.48Å; L102-R106 PolarHBondContact O-N 2.93Å; L102-R106 VanDerWaalsContact O-N 3.15Å; R106-N110 PolarHBondContact O-N 3.05Å; R106-Q111 HydrophobicContact CG-CB 3.7Å; R106-Q111 WeakPolarHBondContact CG-O 3.19Å; R106-Q111 PolarHBondContact O-N 3.44Å; R106-E113 IonicContact CZ-OE1 3.6Å; R106-E113 IonicContact NH1-OE1 3.3Å; R106-E113 PolarHBondContact NH1-OE1 3.17Å; R106-E113 IonicContact NH2-OE1 2.74Å; R106-E113 PolarHBondContact NH2-OE1 3.26Å; R106-Y142 PolarHBondContact N-OH 2.77Å
107	G	96.6	Very high	96.6	Very high	45 Å²	45	63.1 Å²	63.1	46%	0.464	35%	0.346	S	S	.	.	H	α-helix	trans	-69.8	-45.9	172.5	0	0	0	0	0	114	R103 K104 L105 Y109 N110	R103-G107 PolarHBondContact O-N 3.18Å; K104-G107 CarbonylContact O-C 3.52Å; K104-G107 WeakPolarHBondContact O-CA 3.42Å; K104-G107 PolarHBondContact O-N 3.27Å; K104-G107 VanDerWaalsContact O-N 3.11Å; L105-G107 PolarHBondContact O-N 2.79Å; L105-G107 VanDerWaalsContact O-N 3.11Å; G107-Y109 VanDerWaalsContact C-N 3.27Å; G107-Y109 PolarHBondContact O-N 2.85Å; G107-N110 PolarHBondContact O-N 3.25Å
108	Y	97.7	Very high	96.7	Very high	56 Å²	56	62.7 Å²	62.7	22%	0.22	34%	0.339	C	S	.	.	H	α-helix	trans	-60.7	-36.6	177.2	-63.2	-9.2	0	0	0	112.4	K104 L105 A163 I166 K170	K104-Y108 WeakPolarHBondContact O-CD1 3.37Å; K104-Y108 PolarHBondContact O-N 2.65Å; L105-Y108 HydrophobicContact CD2-CD2 4.04Å; L105-Y108 HydrophobicContact CD2-CE2 4.33Å; L105-Y108 PolarHBondContact O-N 2.72Å; Y108-A163 HydrophobicContact CD2-CB 4.39Å; Y108-I166 HydrophobicContact CD1-CD1 4.34Å; Y108-I166 HydrophobicContact CD2-CB 4.41Å; Y108-I166 HydrophobicContact CD2-CD1 4.47Å; Y108-I166 HydrophobicContact CE1-CG2 4.01Å; Y108-I166 HydrophobicContact CE2-CB 4.01Å; Y108-I166 HydrophobicContact CE2-CG2 4.04Å; Y108-I166 HydrophobicContact CG-CD1 4.25Å; Y108-K170 PolarHBondContact OH-NZ 3.17Å
109	Y	97.7	Very high	96.7	Very high	68 Å²	68	62.9 Å²	62.9	27%	0.267	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	2.6	178.7	-68.8	-70.4	0	0	0	114.3	L105 G107 Q111 Y142 Y147 D161 A163	L105-Y109 HydrophobicContact CB-CD2 4.45Å; L105-Y109 VanDerWaalsContact O-CD2 3.26Å; L105-Y109 WeakPolarHBondContact O-CD2 3.4Å; L105-Y109 PolarHBondContact O-N 3.24Å; G107-Y109 VanDerWaalsContact C-N 3.27Å; G107-Y109 PolarHBondContact O-N 2.85Å; Y109-Q111 PolarHBondContact O-N 2.99Å; Y109-Y142 AromaticContact CD2-CD1 3.66Å; Y109-Y142 HydrophobicContact CD2-CD1 3.66Å; Y109-Y142 AromaticContact CD2-CE1 3.44Å; Y109-Y142 HydrophobicContact CD2-CE1 3.44Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.44Å; Y109-Y142 AromaticContact CE2-CD1 3.41Å; Y109-Y142 HydrophobicContact CE2-CD1 3.41Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.41Å; Y109-Y142 AromaticContact CE2-CE1 3.73Å; Y109-Y142 HydrophobicContact CE2-CE1 3.73Å; Y109-Y142 HydrophobicContact CE2-CG 4.45Å; Y109-Y142 HydrophobicContact CG-CE1 4.4Å; Y109-Y147 HydrophobicContact CE2-CD2 4.35Å; Y109-Y147 HydrophobicContact CE2-CE2 4.07Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.26Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.45Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.31Å; Y109-D161 VanDerWaalsContact CE1-OD2 3.22Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.39Å; Y109-D161 VanDerWaalsContact OH-CG 3.3Å; Y109-D161 PolarHBondContact OH-OD1 2.83Å; Y109-D161 PolarHBondContact OH-OD2 2.92Å; Y109-A163 HydrophobicContact CD1-CB 4.2Å; Y109-A163 HydrophobicContact CE1-CB 3.67Å; Y109-A163 HydrophobicContact CE2-CB 4.04Å
110	N	96.6	Very high	96.8	Very high	151 Å²	151	63.4 Å²	63.4	81%	0.807	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	33.7	-177.9	-54.3	-78.1	0	0	0	114.1	R106 G107	R106-N110 PolarHBondContact O-N 3.05Å; G107-N110 PolarHBondContact O-N 3.25Å
111	Q	96.9	Very high	96.8	Very high	59 Å²	59	61.2 Å²	61.2	28%	0.276	33%	0.33	S	S	.	.			trans	-82.4	150.9	-176.6	-70.3	164.7	-43.9	0	0	112.3	R106 Y109 H117 Y142 D143	R106-Q111 HydrophobicContact CG-CB 3.7Å; R106-Q111 WeakPolarHBondContact CG-O 3.19Å; R106-Q111 PolarHBondContact O-N 3.44Å; Y109-Q111 PolarHBondContact O-N 2.99Å; Q111-H117 PolarHBondContact NE2-CE1 3.46Å; Q111-H117 PolarHBondContact NE2-ND1 2.93Å; Q111-H117 PolarHBondContact OE1-CE1 3.46Å; Q111-Y142 PolarHBondContact OE1-OH 3.25Å; Q111-D143 PolarHBondContact NE2-OD2 3.34Å
112	S	94.8	Very high	96.9	Very high	77 Å²	77	60.1 Å²	60.1	54%	0.538	32%	0.324	S	S	.	.			trans	-69.9	152.8	-177.3	79.5	0	0	0	0	113.6	A114 G115	S112-A114 PolarHBondContact O-N 2.77Å; S112-G115 PolarHBondContact O-N 3.47Å
113	E	92.2	Very high	96.9	Very high	141 Å²	141	60.8 Å²	60.8	66%	0.659	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-19.8	177.1	-61.4	-137.6	100	0	0	114.7	P39 R106 G115	P39-E113 WeakPolarHBondContact CB-O 3.31Å; P39-E113 VanDerWaalsContact CG-O 3.29Å; P39-E113 WeakPolarHBondContact CG-O 3.4Å; R106-E113 IonicContact CZ-OE1 3.6Å; R106-E113 IonicContact NH1-OE1 3.3Å; R106-E113 PolarHBondContact NH1-OE1 3.17Å; R106-E113 IonicContact NH2-OE1 2.74Å; R106-E113 PolarHBondContact NH2-OE1 3.26Å; E113-G115 VanDerWaalsContact C-N 3.31Å
114	A	93	Very high	97	Very high	85 Å²	85	54.9 Å²	54.9	70%	0.702	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-10.8	178.7	0	0	0	0	0	113.5	S112	S112-A114 PolarHBondContact O-N 2.77Å
115	G	93.8	Very high	97.1	Very high	20 Å²	20	50.1 Å²	50.1	21%	0.206	28%	0.283	C	S	.	.			trans	-72	133.3	-180	0	0	0	0	0	113.2	P39 S112 E113 H117	P39-G115 WeakPolarHBondContact CG-O 3.48Å; S112-G115 PolarHBondContact O-N 3.47Å; E113-G115 VanDerWaalsContact C-N 3.31Å; G115-H117 PolarHBondContact O-CD2 3Å
116	S	97.5	Very high	97.1	Very high	82 Å²	82	50.7 Å²	50.7	57%	0.573	29%	0.286	S	S	*	.			trans	-82.9	112.9	164.7	175.6	0	0	0	0	108.6	S37	S37-S116 PolarHBondContact O-OG 3.49Å; S37-S116 VanDerWaalsContact O-OG 3.08Å
117	H	98.3	Very high	97.1	Very high	16 Å²	16	48 Å²	48	7%	0.074	28%	0.276	C	S	.	.			trans	-115.7	150.8	-178.7	-61.7	-76	0	0	0	112.3	S37 L102 Q111 G115 Y142 D143	S37-H117 PolarHBondContact N-O 2.97Å; S37-H117 WeakPolarHBondContact OG-CA 3.29Å; S37-H117 PolarHBondContact OG-N 2.85Å; S37-H117 PolarHBondContact OG-O 3.09Å; L102-H117 HydrophobicContact CD2-CB 4.13Å; L102-H117 WeakPolarHBondContact CD2-O 3.43Å; Q111-H117 PolarHBondContact NE2-CE1 3.46Å; Q111-H117 PolarHBondContact NE2-ND1 2.93Å; Q111-H117 PolarHBondContact OE1-CE1 3.46Å; G115-H117 PolarHBondContact O-CD2 3Å; H117-Y142 HydrophobicContact CB-CE2 3.91Å; H117-Y142 WeakPolarHBondContact CB-OH 3.2Å; H117-Y142 PolarHBondContact ND1-OH 3.3Å; H117-D143 WeakPolarHBondContact CA-OD1 3.16Å; H117-D143 WeakPolarHBondContact CB-OD1 3.35Å; H117-D143 IonicContact CE1-OD2 3.14Å; H117-D143 IonicContact CG-OD1 3.65Å; H117-D143 IonicContact CG-OD2 2.78Å; H117-D143 IonicContact ND1-OD1 3.87Å; H117-D143 PolarHBondContact ND1-OD1 2.99Å; H117-D143 IonicContact ND1-OD2 2.68Å; H117-D143 PolarHBondContact ND1-OD2 3.12Å
118	T	98.7	Very high	97	Very high	30 Å²	30	46.3 Å²	46.3	18%	0.184	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	127.9	-173.8	-63	0	0	0	0	111.3	T34 A35 V36 Q120 Y142 D143	T34-T118 HydrophobicContact CG2-CG2 4Å; A35-T118 WeakPolarHBondContact O-CA 3.38Å; V36-T118 HydrophobicContact CG2-CG2 4.2Å; T118-Q120 HydrophobicContact CG2-CG 4.06Å; T118-Y142 WeakPolarHBondContact O-CA 3.21Å; T118-Y142 WeakPolarHBondContact O-CD2 3.42Å; T118-D143 PolarHBondContact N-OD1 2.95Å; T118-D143 PolarHBondContact O-N 2.78Å
119	I	98.6	Very high	96.6	Very high	6 Å²	6	47.9 Å²	47.9	3%	0.031	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	135.2	161.6	-66.2	176.3	0	0	0	108.4	T34 A35 N101 L102 L105 F140 Y142	T34-I119 CarbonylContact C-O 3.53Å; T34-I119 WeakPolarHBondContact CA-O 3.37Å; A35-I119 HydrophobicContact CB-CB 4.43Å; A35-I119 PolarHBondContact N-O 2.86Å; A35-I119 PolarHBondContact O-N 2.77Å; N101-I119 HydrophobicContact CB-CD1 3.48Å; N101-I119 VanDerWaalsContact CB-CD1 3.48Å; L102-I119 HydrophobicContact CD2-CD1 4.21Å; L102-I119 HydrophobicContact CD2-CG1 3.88Å; L102-I119 HydrophobicContact CG-CD1 3.84Å; L102-I119 HydrophobicContact CG-CG1 4.03Å; L105-I119 HydrophobicContact CD1-CD1 3.61Å; L105-I119 HydrophobicContact CD1-CG1 3.72Å; I119-F140 HydrophobicContact CG2-CD1 4.47Å; I119-Y142 HydrophobicContact CG1-CD2 3.84Å; I119-Y142 HydrophobicContact CG1-CE2 4.22Å
120	Q	98.8	Very high	96.2	Very high	81 Å²	81	49.1 Å²	49.1	38%	0.379	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	148.7	165.9	-73.3	163	-86.4	0	0	109.7	Y33 T34 T118 F140 A141	Y33-Q120 CarbonylContact O-C 3.53Å; Y33-Q120 VanDerWaalsContact O-CA 3.32Å; Y33-Q120 WeakPolarHBondContact O-CA 3.28Å; T34-Q120 HydrophobicContact CG2-CG 4.01Å; T118-Q120 HydrophobicContact CG2-CG 4.06Å; Q120-F140 CarbonylContact O-C 3.58Å; Q120-F140 VanDerWaalsContact O-CA 3.3Å; Q120-F140 WeakPolarHBondContact O-CA 3.25Å; Q120-A141 HydrophobicContact CB-CB 4.29Å; Q120-A141 PolarHBondContact N-O 2.68Å; Q120-A141 PolarHBondContact O-N 2.92Å
121	R	98.6	Very high	95.8	Very high	17 Å²	17	42.9 Å²	42.9	6%	0.064	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	132.5	172.5	-176.7	-166.7	-176.9	179.9	-2.1	109.5	F32 Y33 Y123 N138 Q139 F140	F32-R121 WeakPolarHBondContact CA-O 3.38Å; Y33-R121 PolarHBondContact N-O 3.31Å; Y33-R121 PolarHBondContact O-N 2.88Å; R121-Y123 HydrophobicContact CG-CD1 4.39Å; R121-N138 VanDerWaalsContact CZ-OD1 3.32Å; R121-N138 PolarHBondContact NE-OD1 3.29Å; R121-N138 PolarHBondContact NH2-OD1 3.36Å; R121-Q139 VanDerWaalsContact CA-O 3.31Å; R121-Q139 WeakPolarHBondContact CA-O 3.38Å; R121-Q139 WeakPolarHBondContact CG-O 3.48Å; R121-F140 HydrophobicContact CB-CD1 3.79Å; R121-F140 HydrophobicContact CB-CE1 3.92Å; R121-F140 HydrophobicContact CB-CG 4.43Å; R121-F140 VanDerWaalsContact CD-CE1 3.48Å; R121-F140 HydrophobicContact CG-CD1 3.8Å; R121-F140 HydrophobicContact CG-CD2 4.43Å; R121-F140 HydrophobicContact CG-CE1 3.62Å; R121-F140 HydrophobicContact CG-CE2 4.25Å; R121-F140 HydrophobicContact CG-CG 4.22Å; R121-F140 HydrophobicContact CG-CZ 3.86Å
122	M	98.7	Very high	95.7	Very high	25 Å²	25	48 Å²	48	12%	0.123	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	132.9	163.8	-172.8	-80.5	-80.7	0	0	108.7	Y31 F32 Y137 N138 Q139	Y31-M122 WeakPolarHBondContact O-CA 3.46Å; F32-M122 HydrophobicContact CD1-CB 4Å; F32-M122 HydrophobicContact CD1-CG 3.66Å; F32-M122 HydrophobicContact CE1-CB 4.15Å; F32-M122 HydrophobicContact CE1-CG 3.42Å; F32-M122 VanDerWaalsContact CE1-CG 3.42Å; F32-M122 HydrophobicContact CG-CG 4.46Å; F32-M122 HydrophobicContact CZ-CG 4.04Å; M122-Y137 HydrophobicContact CE-CD1 3.75Å; M122-Y137 HydrophobicContact CE-CE1 4.43Å; M122-Y137 HydrophobicContact CE-CG 3.98Å; M122-Y137 HydrophobicContact SD-CG 4.37Å; M122-N138 WeakPolarHBondContact O-CA 3.16Å; M122-Q139 HydrophobicContact CB-CG 4.14Å; M122-Q139 HydrophobicContact CE-CG 4.39Å; M122-Q139 VanDerWaalsContact CE-OE1 3.31Å; M122-Q139 PolarHBondContact N-O 2.75Å; M122-Q139 PolarHBondContact O-N 2.94Å
123	Y	98.7	Very high	95.8	Very high	22 Å²	22	46.8 Å²	46.8	9%	0.086	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	154.9	168.3	74.4	-88.4	0	0	0	110.4	Y31 Y33 R121 Y137 Y183	Y31-Y123 HydrophobicContact CD2-CD2 4.44Å; Y31-Y123 AromaticContact CD2-CE2 3.67Å; Y31-Y123 HydrophobicContact CD2-CE2 3.67Å; Y31-Y123 AromaticContact CD2-CZ 3.78Å; Y31-Y123 HydrophobicContact CE2-CE2 4.38Å; Y31-Y123 HydrophobicContact CG-CE1 4.21Å; Y31-Y123 HydrophobicContact CG-CE2 4.05Å; Y31-Y123 AromaticContact CG-CZ 3.66Å; Y31-Y123 PolarHBondContact N-O 2.9Å; Y31-Y123 PolarHBondContact O-N 3.38Å; Y31-Y123 VanDerWaalsContact O-N 3.09Å; Y33-Y123 HydrophobicContact CD2-CE1 4.12Å; Y33-Y123 HydrophobicContact CE1-CE1 4.24Å; Y33-Y123 AromaticContact CE2-CE1 3.54Å; Y33-Y123 HydrophobicContact CE2-CE1 3.54Å; Y33-Y123 AromaticContact CZ-CE1 3.63Å; Y33-Y123 PolarHBondContact OH-OH 2.88Å; R121-Y123 HydrophobicContact CG-CD1 4.39Å; Y123-Y137 WeakPolarHBondContact CA-O 3.49Å; Y123-Y137 VanDerWaalsContact CB-O 3.27Å; Y123-Y137 WeakPolarHBondContact CB-O 3.26Å; Y123-Y183 AromaticContact CD2-CE1 3.88Å; Y123-Y183 HydrophobicContact CD2-CE1 3.88Å; Y123-Y183 AromaticContact CE2-CE1 3.72Å; Y123-Y183 HydrophobicContact CE2-CE1 3.72Å
124	G	98.6	Very high	96	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.6	178.7	-173.3	0	0	0	0	0	113.4	M29 Y137 L184	M29-G124 CarbonylContact O-C 3.56Å; M29-G124 WeakPolarHBondContact O-CA 3.34Å; G124-Y137 PolarHBondContact N-O 3.33Å; G124-Y137 VanDerWaalsContact N-O 3.07Å; G124-Y137 PolarHBondContact O-N 2.83Å; G124-L184 WeakPolarHBondContact O-CD2 3.28Å
125	C	98.6	Very high	96.2	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	147.6	178.8	50.3	0	0	0	0	110.3	S28 M29 L133 R135 L184 C188	S28-C125 WeakPolarHBondContact CA-O 3.42Å; M29-C125 PolarHBondContact N-O 3.33Å; M29-C125 PolarHBondContact O-N 3.45Å; M29-C125 VanDerWaalsContact O-N 3.07Å; C125-L133 HydrophobicContact CB-CD1 3.52Å; C125-R135 WeakPolarHBondContact CA-O 3.35Å; C125-L184 HydrophobicContact CB-CD2 4.44Å; C125-C188 HydrophobicContact CB-CB 3.84Å; C125-C188 WeakPolarHBondContact CB-SG 3.39Å; C125-C188 PolarHBondContact N-SG 3.41Å; C125-C188 VanDerWaalsContact N-SG 3.39Å; C125-C188 WeakPolarHBondContact SG-CB 3.3Å; C125-C188 PolarHBondContact SG-O 3.02Å; C125-C188 CovalentContact SG-SG 2.03Å; C125-C188 PolarHBondContact SG-SG 2.94Å
126	D	98.1	Very high	96.4	Very high	22 Å²	22	45.7 Å²	45.7	12%	0.118	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	140.1	173.4	-59	-1	0	0	0	108.7	H27 S28 R30 L134 R135 Y137	H27-D126 CarbonylContact O-C 3.56Å; H27-D126 WeakPolarHBondContact O-CA 3.35Å; S28-D126 VanDerWaalsContact CB-OD1 3.31Å; S28-D126 WeakPolarHBondContact CB-OD1 3.36Å; R30-D126 IonicContact CZ-OD1 3.1Å; R30-D126 VanDerWaalsContact CZ-OD1 3.22Å; R30-D126 IonicContact CZ-OD2 3.7Å; R30-D126 IonicContact NE-OD1 3.41Å; R30-D126 PolarHBondContact NE-OD1 2.84Å; R30-D126 IonicContact NH2-OD1 2.72Å; R30-D126 PolarHBondContact NH2-OD1 3.47Å; R30-D126 IonicContact NH2-OD2 3.31Å; R30-D126 PolarHBondContact NH2-OD2 2.95Å; D126-L134 PolarHBondContact O-N 3.16Å; D126-R135 HydrophobicContact CB-CB 4.43Å; D126-R135 PolarHBondContact N-O 3.21Å; D126-R135 PolarHBondContact O-N 3.09Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.22Å; D126-Y137 PolarHBondContact OD2-OH 3.33Å
127	L	97.1	Very high	96.4	Very high	5 Å²	5	43.7 Å²	43.7	3%	0.026	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	139.8	175.5	-50.2	-179.1	0	0	0	109.8	S26 H27 R132 V189 L192 R193	S26-L127 WeakPolarHBondContact CA-O 3.32Å; H27-L127 PolarHBondContact N-O 2.75Å; H27-L127 PolarHBondContact O-N 2.84Å; L127-R132 WeakPolarHBondContact CA-O 3.08Å; L127-V189 HydrophobicContact CD1-CG1 4.48Å; L127-V189 HydrophobicContact CD2-CB 4.19Å; L127-V189 HydrophobicContact CD2-CG1 3.79Å; L127-V189 HydrophobicContact CD2-CG2 3.87Å; L127-L192 HydrophobicContact CD1-CB 4.36Å; L127-L192 HydrophobicContact CD1-CD2 3.74Å; L127-L192 HydrophobicContact CD1-CG 3.78Å; L127-L192 HydrophobicContact CD2-CD2 4.43Å; L127-L192 HydrophobicContact CG-CD2 3.62Å; L127-L192 HydrophobicContact CG-CG 4.25Å; L127-R193 HydrophobicContact CD1-CG 3.96Å
128	G	93.6	Very high	96.4	Very high	9 Å²	9	43.1 Å²	43.1	9%	0.093	22%	0.216	C	C	.	.			trans	-77.9	176.3	165.2	0	0	0	0	0	111.9	D130 G131 R132	G128-D130 PolarHBondContact O-N 3.43Å; G128-G131 WeakPolarHBondContact O-CA 3.43Å; G128-G131 PolarHBondContact O-N 2.76Å; G128-R132 PolarHBondContact N-O 3.26Å
129	P	89.4	Confident	96.4	Very high	90 Å²	90	44.8 Å²	44.8	58%	0.584	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-13.8	-179.3	-25.5	35.8	0	0	0	115.8	T24 G25	T24-P129 WeakPolarHBondContact O-CG 3.2Å; G25-P129 WeakPolarHBondContact O-CA 3.5Å
130	D	89.3	Confident	96.4	Very high	94 Å²	94	46.3 Å²	46.3	50%	0.503	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	4.9	169.9	78.3	-15.6	0	0	0	113.3	G128 R132	G128-D130 PolarHBondContact O-N 3.43Å; D130-R132 PolarHBondContact O-N 2.86Å; D130-R132 VanDerWaalsContact OD1-CB 3.26Å; D130-R132 WeakPolarHBondContact OD1-CB 3.25Å; D130-R132 WeakPolarHBondContact OD1-CG 3.44Å; D130-R132 PolarHBondContact OD1-N 2.67Å; D130-R132 WeakPolarHBondContact OD2-CD 3.34Å; D130-R132 WeakPolarHBondContact OD2-CG 3.43Å; D130-R132 IonicContact OD2-CZ 2.71Å; D130-R132 VanDerWaalsContact OD2-CZ 3.25Å; D130-R132 IonicContact OD2-NE 3.25Å; D130-R132 PolarHBondContact OD2-NE 2.72Å; D130-R132 IonicContact OD2-NH1 3.21Å; D130-R132 PolarHBondContact OD2-NH1 3.15Å
131	G	89.3	Confident	96.4	Very high	20 Å²	20	43.3 Å²	43.3	21%	0.206	22%	0.217	C	C	.	.	S	Bend	trans	69.8	8.9	-178.5	0	0	0	0	0	114.7	G128 R193	G128-G131 WeakPolarHBondContact O-CA 3.43Å; G128-G131 PolarHBondContact O-N 2.76Å; G131-R193 VanDerWaalsContact O-CZ 3.26Å; G131-R193 PolarHBondContact O-NE 2.84Å; G131-R193 PolarHBondContact O-NH2 3.2Å
132	R	94.1	Very high	96.4	Very high	167 Å²	167	43 Å²	43	63%	0.63	22%	0.216	S	C	*	.	S	Bend	trans	-89.9	155.6	177.7	-59	-175.1	-173.7	132.9	-7.9	111.5	L127 G128 D130 L134	L127-R132 WeakPolarHBondContact CA-O 3.08Å; G128-R132 PolarHBondContact N-O 3.26Å; D130-R132 PolarHBondContact O-N 2.86Å; D130-R132 VanDerWaalsContact OD1-CB 3.26Å; D130-R132 WeakPolarHBondContact OD1-CB 3.25Å; D130-R132 WeakPolarHBondContact OD1-CG 3.44Å; D130-R132 PolarHBondContact OD1-N 2.67Å; D130-R132 WeakPolarHBondContact OD2-CD 3.34Å; D130-R132 WeakPolarHBondContact OD2-CG 3.43Å; D130-R132 IonicContact OD2-CZ 2.71Å; D130-R132 VanDerWaalsContact OD2-CZ 3.25Å; D130-R132 IonicContact OD2-NE 3.25Å; D130-R132 PolarHBondContact OD2-NE 2.72Å; D130-R132 IonicContact OD2-NH1 3.21Å; D130-R132 PolarHBondContact OD2-NH1 3.15Å; R132-L134 PolarHBondContact O-N 2.78Å; R132-L134 VanDerWaalsContact O-N 3.08Å
133	L	96.9	Very high	96.4	Very high	50 Å²	50	44.7 Å²	44.7	26%	0.262	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57	113.7	175.5	-175.1	74.3	0	0	0	110.5	C125 R135 L154 E185 V189	C125-L133 HydrophobicContact CB-CD1 3.52Å; L133-R135 VanDerWaalsContact CD1-O 3.28Å; L133-R135 WeakPolarHBondContact CD1-O 3.5Å; L133-L154 HydrophobicContact CD2-CD1 4.12Å; L133-E185 HydrophobicContact CD2-CB 4.49Å; L133-E185 HydrophobicContact CD2-CG 3.8Å; L133-V189 HydrophobicContact CB-CG2 4.03Å; L133-V189 HydrophobicContact CD1-CG2 4.21Å
134	L	96.6	Very high	96.4	Very high	124 Å²	124	46.5 Å²	46.5	65%	0.649	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.8	-43.7	170.4	-178.6	62.5	0	0	0	110.3	D126 R132	D126-L134 PolarHBondContact O-N 3.16Å; R132-L134 PolarHBondContact O-N 2.78Å; R132-L134 VanDerWaalsContact O-N 3.08Å
135	R	96.9	Very high	96.4	Very high	92 Å²	92	54.1 Å²	54.1	35%	0.347	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	144.4	-176.1	-170.1	164.7	170.7	127.2	8.5	112.2	C125 D126 L133 Y137 E152	C125-R135 WeakPolarHBondContact CA-O 3.35Å; D126-R135 HydrophobicContact CB-CB 4.43Å; D126-R135 PolarHBondContact N-O 3.21Å; D126-R135 PolarHBondContact O-N 3.09Å; L133-R135 VanDerWaalsContact CD1-O 3.28Å; L133-R135 WeakPolarHBondContact CD1-O 3.5Å; R135-Y137 HydrophobicContact CB-CE2 4.08Å; R135-Y137 VanDerWaalsContact CD-OH 3.24Å; R135-Y137 WeakPolarHBondContact CD-OH 3.16Å; R135-Y137 HydrophobicContact CG-CD2 4.35Å; R135-Y137 HydrophobicContact CG-CE1 4.45Å; R135-Y137 HydrophobicContact CG-CE2 3.69Å; R135-Y137 PolarHBondContact NE-OH 3.08Å; R135-E152 VanDerWaalsContact CZ-CD 3.42Å; R135-E152 IonicContact CZ-OE1 2.8Å; R135-E152 IonicContact NH1-OE1 3.03Å; R135-E152 PolarHBondContact NH1-OE1 3.46Å; R135-E152 IonicContact NH1-OE2 2.72Å; R135-E152 PolarHBondContact NH1-OE2 3.35Å; R135-E152 VanDerWaalsContact NH2-CD 3.32Å; R135-E152 IonicContact NH2-OE1 3.71Å; R135-E152 PolarHBondContact NH2-OE1 2.72Å
136	G	98.1	Very high	96.4	Very high	7 Å²	7	59.6 Å²	59.6	7%	0.072	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	147.2	172.7	0	0	0	0	0	111.8
137	Y	98.2	Very high	96.4	Very high	41 Å²	41	59.1 Å²	59.1	16%	0.161	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	140.7	-175.9	-60.3	-99.2	0	0	0	111.2	R30 M122 Y123 G124 D126 R135	R30-Y137 PolarHBondContact NH2-OH 2.74Å; M122-Y137 HydrophobicContact CE-CD1 3.75Å; M122-Y137 HydrophobicContact CE-CE1 4.43Å; M122-Y137 HydrophobicContact CE-CG 3.98Å; M122-Y137 HydrophobicContact SD-CG 4.37Å; Y123-Y137 WeakPolarHBondContact CA-O 3.49Å; Y123-Y137 VanDerWaalsContact CB-O 3.27Å; Y123-Y137 WeakPolarHBondContact CB-O 3.26Å; G124-Y137 PolarHBondContact N-O 3.33Å; G124-Y137 VanDerWaalsContact N-O 3.07Å; G124-Y137 PolarHBondContact O-N 2.83Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.22Å; D126-Y137 PolarHBondContact OD2-OH 3.33Å; R135-Y137 HydrophobicContact CB-CE2 4.08Å; R135-Y137 VanDerWaalsContact CD-OH 3.24Å; R135-Y137 WeakPolarHBondContact CD-OH 3.16Å; R135-Y137 HydrophobicContact CG-CD2 4.35Å; R135-Y137 HydrophobicContact CG-CE1 4.45Å; R135-Y137 HydrophobicContact CG-CE2 3.69Å; R135-Y137 PolarHBondContact NE-OH 3.08Å
138	N	98.5	Very high	96.5	Very high	3 Å²	3	59.1 Å²	59.1	2%	0.016	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	93.3	164.1	177.3	72.5	0	0	0	109.8	R121 M122 L150 W157	R121-N138 VanDerWaalsContact CZ-OD1 3.32Å; R121-N138 PolarHBondContact NE-OD1 3.29Å; R121-N138 PolarHBondContact NH2-OD1 3.36Å; M122-N138 WeakPolarHBondContact O-CA 3.16Å; N138-L150 HydrophobicContact CB-CB 4.04Å; N138-L150 HydrophobicContact CB-CD2 4.12Å; N138-L150 WeakPolarHBondContact O-CB 3.43Å; N138-L150 PolarHBondContact O-N 2.96Å; N138-W157 VanDerWaalsContact ND2-CH2 3.33Å; N138-W157 WeakPolarHBondContact ND2-CH2 3.43Å; N138-W157 WeakPolarHBondContact ND2-CZ3 3.47Å
139	Q	98.6	Very high	96.7	Very high	65 Å²	65	60.2 Å²	60.2	30%	0.304	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	148.8	-175.5	66.6	-163.8	82.5	0	0	112.2	R121 M122 I148 A149	R121-Q139 VanDerWaalsContact CA-O 3.31Å; R121-Q139 WeakPolarHBondContact CA-O 3.38Å; R121-Q139 WeakPolarHBondContact CG-O 3.48Å; M122-Q139 HydrophobicContact CB-CG 4.14Å; M122-Q139 HydrophobicContact CE-CG 4.39Å; M122-Q139 VanDerWaalsContact CE-OE1 3.31Å; M122-Q139 PolarHBondContact N-O 2.75Å; M122-Q139 PolarHBondContact O-N 2.94Å; Q139-I148 WeakPolarHBondContact CA-O 3.37Å; Q139-A149 HydrophobicContact CB-CB 3.88Å
140	F	98.6	Very high	97.2	Very high	38 Å²	38	56.6 Å²	56.6	17%	0.167	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	143.2	179.5	-64.2	-102.2	0	0	0	110.5	I119 Q120 R121 Y147 I148	I119-F140 HydrophobicContact CG2-CD1 4.47Å; Q120-F140 CarbonylContact O-C 3.58Å; Q120-F140 VanDerWaalsContact O-CA 3.3Å; Q120-F140 WeakPolarHBondContact O-CA 3.25Å; R121-F140 HydrophobicContact CB-CD1 3.79Å; R121-F140 HydrophobicContact CB-CE1 3.92Å; R121-F140 HydrophobicContact CB-CG 4.43Å; R121-F140 VanDerWaalsContact CD-CE1 3.48Å; R121-F140 HydrophobicContact CG-CD1 3.8Å; R121-F140 HydrophobicContact CG-CD2 4.43Å; R121-F140 HydrophobicContact CG-CE1 3.62Å; R121-F140 HydrophobicContact CG-CE2 4.25Å; R121-F140 HydrophobicContact CG-CG 4.22Å; R121-F140 HydrophobicContact CG-CZ 3.86Å; F140-Y147 WeakPolarHBondContact O-CB 3.39Å; F140-Y147 PolarHBondContact O-N 2.88Å; F140-I148 HydrophobicContact CB-CG2 4.23Å; F140-I148 HydrophobicContact CD2-CG2 4.02Å; F140-I148 HydrophobicContact CG-CG2 4.46Å; F140-I148 PolarHBondContact N-O 3.19Å; F140-I148 PolarHBondContact O-N 3.19Å
141	A	98.8	Very high	97.6	Very high	18 Å²	18	54.1 Å²	54.1	15%	0.149	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	151.2	171.5	0	0	0	0	0	110.4	Q120 K145	Q120-A141 HydrophobicContact CB-CB 4.29Å; Q120-A141 PolarHBondContact N-O 2.68Å; Q120-A141 PolarHBondContact O-N 2.92Å; A141-K145 CarbonylContact C-O 3.54Å; A141-K145 WeakPolarHBondContact CA-O 3.08Å; A141-K145 WeakPolarHBondContact CB-O 3.25Å
142	Y	98.8	Very high	98	Very high	11 Å²	11	59.7 Å²	59.7	4%	0.043	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	132.2	176.6	-172.8	-123.3	0	0	0	110.3	L102 L105 R106 Y109 Q111 H117 T118 I119 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.28Å; L105-Y142 HydrophobicContact CB-CD1 4.24Å; L105-Y142 HydrophobicContact CB-CD2 4.21Å; L105-Y142 HydrophobicContact CB-CE1 3.84Å; L105-Y142 HydrophobicContact CB-CE2 3.84Å; L105-Y142 HydrophobicContact CB-CG 4.4Å; L105-Y142 HydrophobicContact CD1-CD1 4.34Å; L105-Y142 HydrophobicContact CD1-CD2 3.42Å; L105-Y142 VanDerWaalsContact CD1-CD2 3.42Å; L105-Y142 HydrophobicContact CD1-CE2 3.8Å; L105-Y142 HydrophobicContact CD1-CG 3.72Å; L105-Y142 HydrophobicContact CG-CD2 4.46Å; L105-Y142 HydrophobicContact CG-CE2 4.48Å; R106-Y142 PolarHBondContact N-OH 2.77Å; Y109-Y142 AromaticContact CD2-CD1 3.66Å; Y109-Y142 HydrophobicContact CD2-CD1 3.66Å; Y109-Y142 AromaticContact CD2-CE1 3.44Å; Y109-Y142 HydrophobicContact CD2-CE1 3.44Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.44Å; Y109-Y142 AromaticContact CE2-CD1 3.41Å; Y109-Y142 HydrophobicContact CE2-CD1 3.41Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.41Å; Y109-Y142 AromaticContact CE2-CE1 3.73Å; Y109-Y142 HydrophobicContact CE2-CE1 3.73Å; Y109-Y142 HydrophobicContact CE2-CG 4.45Å; Y109-Y142 HydrophobicContact CG-CE1 4.4Å; Q111-Y142 PolarHBondContact OE1-OH 3.25Å; H117-Y142 HydrophobicContact CB-CE2 3.91Å; H117-Y142 WeakPolarHBondContact CB-OH 3.2Å; H117-Y142 PolarHBondContact ND1-OH 3.3Å; T118-Y142 WeakPolarHBondContact O-CA 3.21Å; T118-Y142 WeakPolarHBondContact O-CD2 3.42Å; I119-Y142 HydrophobicContact CG1-CD2 3.84Å; I119-Y142 HydrophobicContact CG1-CE2 4.22Å; Y142-G144 PolarHBondContact O-N 2.68Å; Y142-G144 VanDerWaalsContact O-N 3.09Å; Y142-K145 PolarHBondContact N-O 2.78Å; Y142-K145 PolarHBondContact O-N 3.28Å
143	D	98.3	Very high	98.1	Very high	60 Å²	60	55.3 Å²	55.3	32%	0.321	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.6	39	-176.3	-64	-18.2	0	0	0	113.4	Q111 H117 T118	Q111-D143 PolarHBondContact NE2-OD2 3.34Å; H117-D143 WeakPolarHBondContact CA-OD1 3.16Å; H117-D143 WeakPolarHBondContact CB-OD1 3.35Å; H117-D143 IonicContact CE1-OD2 3.14Å; H117-D143 IonicContact CG-OD1 3.65Å; H117-D143 IonicContact CG-OD2 2.78Å; H117-D143 IonicContact ND1-OD1 3.87Å; H117-D143 PolarHBondContact ND1-OD1 2.99Å; H117-D143 IonicContact ND1-OD2 2.68Å; H117-D143 PolarHBondContact ND1-OD2 3.12Å; T118-D143 PolarHBondContact N-OD1 2.95Å; T118-D143 PolarHBondContact O-N 2.78Å
144	G	97.6	Very high	98.2	Very high	60 Å²	60	53.3 Å²	53.3	62%	0.619	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.8	9	178.5	0	0	0	0	0	116	Y142	Y142-G144 PolarHBondContact O-N 2.68Å; Y142-G144 VanDerWaalsContact O-N 3.09Å
145	K	98.5	Very high	98.2	Very high	161 Å²	161	55.4 Å²	55.4	70%	0.7	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.5	148.6	178.1	-61.1	179.8	-178.1	179.3	0	111.2	A141 Y142 Y147	A141-K145 CarbonylContact C-O 3.54Å; A141-K145 WeakPolarHBondContact CA-O 3.08Å; A141-K145 WeakPolarHBondContact CB-O 3.25Å; Y142-K145 PolarHBondContact N-O 2.78Å; Y142-K145 PolarHBondContact O-N 3.28Å; K145-Y147 PolarHBondContact O-N 3.24Å
146	D	98.7	Very high	98.3	Very high	115 Å²	115	53 Å²	53	62%	0.615	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55	138.9	173.4	-71	-46.5	0	0	0	111.5	A160	D146-A160 HydrophobicContact CB-CB 4.42Å; D146-A160 WeakPolarHBondContact O-CB 3.32Å
147	Y	98.8	Very high	98.3	Very high	11 Å²	11	53.2 Å²	53.2	4%	0.043	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	-62.2	179.7	179.8	-108.4	0	0	0	110.4	L105 Y109 F140 K145 A160 A163 A164 S167	L105-Y147 HydrophobicContact CD2-CD2 4.5Å; L105-Y147 HydrophobicContact CD2-CE1 3.8Å; L105-Y147 HydrophobicContact CD2-CE2 3.69Å; L105-Y147 VanDerWaalsContact CD2-OH 3.22Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.33Å; Y109-Y147 HydrophobicContact CE2-CD2 4.35Å; Y109-Y147 HydrophobicContact CE2-CE2 4.07Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.26Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.45Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.31Å; F140-Y147 WeakPolarHBondContact O-CB 3.39Å; F140-Y147 PolarHBondContact O-N 2.88Å; K145-Y147 PolarHBondContact O-N 3.24Å; Y147-A160 WeakPolarHBondContact O-CB 3.48Å; Y147-A160 PolarHBondContact O-N 3.05Å; Y147-A163 PolarHBondContact OH-O 3.04Å; Y147-A164 HydrophobicContact CD2-CB 3.84Å; Y147-A164 VanDerWaalsContact CE2-CA 3.47Å; Y147-A164 HydrophobicContact CE2-CB 3.71Å; Y147-A164 HydrophobicContact CG-CB 4.31Å; Y147-A164 WeakPolarHBondContact O-CB 3.34Å; Y147-S167 WeakPolarHBondContact OH-CB 3.25Å; Y147-S167 PolarHBondContact OH-OG 3.31Å
148	I	98.7	Very high	98.3	Very high	6 Å²	6	55 Å²	55	3%	0.031	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	136.6	177.9	-162.6	167.1	0	0	0	111.6	Q139 F140 W157 T158 A159 Q168 L171	Q139-I148 WeakPolarHBondContact CA-O 3.37Å; F140-I148 HydrophobicContact CB-CG2 4.23Å; F140-I148 HydrophobicContact CD2-CG2 4.02Å; F140-I148 HydrophobicContact CG-CG2 4.46Å; F140-I148 PolarHBondContact N-O 3.19Å; F140-I148 PolarHBondContact O-N 3.19Å; I148-W157 HydrophobicContact CD1-CB 4.2Å; I148-W157 HydrophobicContact CD1-CE3 4.42Å; I148-W157 HydrophobicContact CG1-CB 4.25Å; I148-W157 HydrophobicContact CG1-CE3 4.15Å; I148-T158 WeakPolarHBondContact CA-O 3.45Å; I148-T158 WeakPolarHBondContact CG1-O 3.37Å; I148-A159 HydrophobicContact CD1-CB 4.47Å; I148-A159 HydrophobicContact CG1-CB 4.48Å; I148-Q168 HydrophobicContact CD1-CB 3.71Å; I148-L171 HydrophobicContact CD1-CD1 3.87Å
149	A	98.8	Very high	98.3	Very high	32 Å²	32	55.9 Å²	55.9	26%	0.264	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	141.5	178.3	0	0	0	0	0	111.5	Q139 W157 T158	Q139-A149 HydrophobicContact CB-CB 3.88Å; A149-W157 CarbonylContact O-C 3.56Å; A149-W157 VanDerWaalsContact O-CA 3.28Å; A149-W157 WeakPolarHBondContact O-CA 3.45Å; A149-T158 PolarHBondContact N-O 2.92Å; A149-T158 PolarHBondContact O-N 2.88Å
150	L	98.8	Very high	98.3	Very high	13 Å²	13	55.8 Å²	55.8	7%	0.068	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	130.6	163.2	-176.5	69.5	0	0	0	108.3	N138 L154 W157 A177 R180 L184	N138-L150 HydrophobicContact CB-CB 4.04Å; N138-L150 HydrophobicContact CB-CD2 4.12Å; N138-L150 WeakPolarHBondContact O-CB 3.43Å; N138-L150 PolarHBondContact O-N 2.96Å; L150-L154 HydrophobicContact CD2-CD2 3.82Å; L150-L154 HydrophobicContact CG-CD2 4.35Å; L150-W157 HydrophobicContact CB-CE3 4.02Å; L150-W157 HydrophobicContact CB-CH2 4.27Å; L150-W157 HydrophobicContact CB-CZ3 3.83Å; L150-W157 HydrophobicContact CD1-CD2 4.17Å; L150-W157 HydrophobicContact CD1-CE3 4.38Å; L150-W157 HydrophobicContact CD1-CH2 4.21Å; L150-W157 HydrophobicContact CD1-CZ2 3.97Å; L150-W157 HydrophobicContact CD1-CZ3 4.41Å; L150-A177 HydrophobicContact CD1-CB 3.91Å; L150-R180 HydrophobicContact CD2-CB 3.84Å; L150-L184 HydrophobicContact CD2-CD1 3.98Å
151	N	98.5	Very high	98.3	Very high	43 Å²	43	56.4 Å²	56.4	23%	0.23	31%	0.314	C	S	.	.			trans	-77	165.6	-178.6	-66.4	-21.7	0	0	0	111.8	D153 L154 S156 T158	N151-D153 PolarHBondContact O-N 2.94Å; N151-D153 VanDerWaalsContact O-N 3.13Å; N151-L154 WeakPolarHBondContact O-CA 3.32Å; N151-L154 PolarHBondContact O-N 3.05Å; N151-S156 WeakPolarHBondContact CB-O 3.32Å; N151-S156 PolarHBondContact N-O 2.67Å; N151-S156 PolarHBondContact ND2-OG 2.75Å; N151-T158 PolarHBondContact ND2-OG1 3.47Å; N151-T158 WeakPolarHBondContact OD1-CB 3.45Å; N151-T158 PolarHBondContact OD1-N 2.79Å; N151-T158 PolarHBondContact OD1-OG1 3.44Å
152	E	97.4	Very high	98.3	Very high	137 Å²	137	60.9 Å²	60.9	64%	0.64	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-19.4	-178	-61.2	179.2	-162.1	0	0	113.7	R135 L154	R135-E152 VanDerWaalsContact CZ-CD 3.42Å; R135-E152 IonicContact CZ-OE1 2.8Å; R135-E152 IonicContact NH1-OE1 3.03Å; R135-E152 PolarHBondContact NH1-OE1 3.46Å; R135-E152 IonicContact NH1-OE2 2.72Å; R135-E152 PolarHBondContact NH1-OE2 3.35Å; R135-E152 VanDerWaalsContact NH2-CD 3.32Å; R135-E152 IonicContact NH2-OE1 3.71Å; R135-E152 PolarHBondContact NH2-OE1 2.72Å; E152-L154 PolarHBondContact O-N 2.93Å
153	D	97.3	Very high	98.2	Very high	74 Å²	74	60.7 Å²	60.7	40%	0.396	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-9.5	172.5	70.9	-3.4	0	0	0	113.9	N151 R155 S156	N151-D153 PolarHBondContact O-N 2.94Å; N151-D153 VanDerWaalsContact O-N 3.13Å; D153-R155 VanDerWaalsContact O-CG 3.3Å; D153-R155 WeakPolarHBondContact O-CG 3.5Å; D153-R155 PolarHBondContact O-N 3.38Å; D153-R155 PolarHBondContact OD1-N 3.18Å; D153-S156 PolarHBondContact OD1-N 3.4Å; D153-S156 PolarHBondContact OD1-OG 3.15Å; D153-S156 WeakPolarHBondContact OD2-CB 3.35Å; D153-S156 PolarHBondContact OD2-N 3.46Å; D153-S156 PolarHBondContact OD2-OG 3.36Å
154	L	97.9	Very high	98.2	Very high	9 Å²	9	57.9 Å²	57.9	5%	0.047	33%	0.325	C	S	.	.	S	Bend	trans	52.4	28.8	-172.3	-53.8	-178.4	0	0	0	113.7	L133 L150 N151 E152 R181 L184 E185	L133-L154 HydrophobicContact CD2-CD1 4.12Å; L150-L154 HydrophobicContact CD2-CD2 3.82Å; L150-L154 HydrophobicContact CG-CD2 4.35Å; N151-L154 WeakPolarHBondContact O-CA 3.32Å; N151-L154 PolarHBondContact O-N 3.05Å; E152-L154 PolarHBondContact O-N 2.93Å; L154-R181 HydrophobicContact CB-CB 3.98Å; L154-R181 HydrophobicContact CB-CG 3.76Å; L154-R181 HydrophobicContact CD1-CG 4.19Å; L154-L184 HydrophobicContact CD1-CB 4.42Å; L154-L184 HydrophobicContact CD2-CD1 3.96Å; L154-E185 HydrophobicContact CD1-CG 4.24Å
155	R	97.4	Very high	98.3	Very high	167 Å²	167	58.6 Å²	58.6	63%	0.63	31%	0.312	S	S	*	.	S	Bend	trans	-134.4	-37.8	-173.9	-67.7	162.6	-166.7	-134.6	4	113.1	D153 A177	D153-R155 VanDerWaalsContact O-CG 3.3Å; D153-R155 WeakPolarHBondContact O-CG 3.5Å; D153-R155 PolarHBondContact O-N 3.38Å; D153-R155 PolarHBondContact OD1-N 3.18Å; R155-A177 VanDerWaalsContact O-CB 3.28Å; R155-A177 WeakPolarHBondContact O-CB 3.26Å
156	S	97.8	Very high	98.2	Very high	43 Å²	43	53.8 Å²	53.8	30%	0.301	29%	0.293	S	S	.	.			trans	-108	165.3	-178.6	61.5	0	0	0	0	112	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.32Å; N151-S156 PolarHBondContact N-O 2.67Å; N151-S156 PolarHBondContact ND2-OG 2.75Å; D153-S156 PolarHBondContact OD1-N 3.4Å; D153-S156 PolarHBondContact OD1-OG 3.15Å; D153-S156 WeakPolarHBondContact OD2-CB 3.35Å; D153-S156 PolarHBondContact OD2-N 3.46Å; D153-S156 PolarHBondContact OD2-OG 3.36Å
157	W	98.6	Very high	98.2	Very high	10 Å²	10	49.5 Å²	49.5	4%	0.038	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	144.4	179.9	-58.6	86	0	0	0	110.7	N138 I148 A149 L150 Q168 L171 E176 A177 R180	N138-W157 VanDerWaalsContact ND2-CH2 3.33Å; N138-W157 WeakPolarHBondContact ND2-CH2 3.43Å; N138-W157 WeakPolarHBondContact ND2-CZ3 3.47Å; I148-W157 HydrophobicContact CD1-CB 4.2Å; I148-W157 HydrophobicContact CD1-CE3 4.42Å; I148-W157 HydrophobicContact CG1-CB 4.25Å; I148-W157 HydrophobicContact CG1-CE3 4.15Å; A149-W157 CarbonylContact O-C 3.56Å; A149-W157 VanDerWaalsContact O-CA 3.28Å; A149-W157 WeakPolarHBondContact O-CA 3.45Å; L150-W157 HydrophobicContact CB-CE3 4.02Å; L150-W157 HydrophobicContact CB-CH2 4.27Å; L150-W157 HydrophobicContact CB-CZ3 3.83Å; L150-W157 HydrophobicContact CD1-CD2 4.17Å; L150-W157 HydrophobicContact CD1-CE3 4.38Å; L150-W157 HydrophobicContact CD1-CH2 4.21Å; L150-W157 HydrophobicContact CD1-CZ2 3.97Å; L150-W157 HydrophobicContact CD1-CZ3 4.41Å; W157-Q168 HydrophobicContact CB-CG 4.28Å; W157-Q168 PolarHBondContact O-NE2 2.88Å; W157-L171 HydrophobicContact CD2-CD1 3.87Å; W157-L171 HydrophobicContact CE3-CD1 3.86Å; W157-L171 HydrophobicContact CH2-CD1 3.88Å; W157-L171 HydrophobicContact CZ2-CB 4.16Å; W157-L171 HydrophobicContact CZ2-CD1 3.88Å; W157-L171 HydrophobicContact CZ2-CG 4.47Å; W157-L171 HydrophobicContact CZ3-CD1 3.87Å; W157-E176 HydrophobicContact CZ2-CB 4.11Å; W157-A177 HydrophobicContact CZ2-CB 4.37Å; W157-R180 HydrophobicContact CH2-CG 4.25Å
158	T	98.6	Very high	98.2	Very high	80 Å²	80	50.9 Å²	50.9	49%	0.491	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	117.8	167.1	-63.9	0	0	0	0	109.1	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.45Å; I148-T158 WeakPolarHBondContact CG1-O 3.37Å; A149-T158 PolarHBondContact N-O 2.92Å; A149-T158 PolarHBondContact O-N 2.88Å; N151-T158 PolarHBondContact ND2-OG1 3.47Å; N151-T158 WeakPolarHBondContact OD1-CB 3.45Å; N151-T158 PolarHBondContact OD1-N 2.79Å; N151-T158 PolarHBondContact OD1-OG1 3.44Å
159	A	98.6	Very high	98.2	Very high	21 Å²	21	57.8 Å²	57.8	17%	0.174	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	131.2	174.2	0	0	0	0	0	110.4	I148 A164 Q165 Q168	I148-A159 HydrophobicContact CD1-CB 4.47Å; I148-A159 HydrophobicContact CG1-CB 4.48Å; A159-A164 HydrophobicContact CB-CB 3.65Å; A159-Q165 HydrophobicContact CB-CG 4.04Å; A159-Q168 HydrophobicContact CB-CB 4.35Å; A159-Q168 VanDerWaalsContact CB-OE1 3.26Å
160	A	98.4	Very high	98.1	Very high	62 Å²	62	61.8 Å²	61.8	51%	0.512	32%	0.317	S	S	.	.	S	Bend	trans	-73.6	-29.9	-176.3	0	0	0	0	0	113.7	D146 Y147	D146-A160 HydrophobicContact CB-CB 4.42Å; D146-A160 WeakPolarHBondContact O-CB 3.32Å; Y147-A160 WeakPolarHBondContact O-CB 3.48Å; Y147-A160 PolarHBondContact O-N 3.05Å
161	D	98.3	Very high	98.1	Very high	51 Å²	51	62.9 Å²	62.9	27%	0.273	32%	0.322	S	S	.	.	S	Bend	trans	-149	-175	-178.2	69.6	31.1	0	0	0	113.7	Y109 A163 A164 Q165	Y109-D161 VanDerWaalsContact CE1-OD2 3.22Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.39Å; Y109-D161 VanDerWaalsContact OH-CG 3.3Å; Y109-D161 PolarHBondContact OH-OD1 2.83Å; Y109-D161 PolarHBondContact OH-OD2 2.92Å; D161-A163 VanDerWaalsContact C-N 3.34Å; D161-A163 PolarHBondContact O-N 3.16Å; D161-A163 WeakPolarHBondContact OD1-CA 3.44Å; D161-A163 WeakPolarHBondContact OD1-CB 3.37Å; D161-A163 PolarHBondContact OD1-N 3.04Å; D161-A164 PolarHBondContact O-N 2.96Å; D161-A164 PolarHBondContact OD1-N 3.24Å; D161-Q165 WeakPolarHBondContact O-CG 3.47Å; D161-Q165 PolarHBondContact O-N 2.93Å
162	T	97.9	Very high	98.1	Very high	113 Å²	113	65.1 Å²	65.1	69%	0.693	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-23.2	-179.3	50.2	0	0	0	0	114.5
163	A	97.6	Very high	98.1	Very high	7 Å²	7	62.8 Å²	62.8	6%	0.058	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-41.8	171.9	0	0	0	0	0	110.4	Y108 Y109 Y147 D161 Q165 I166	Y108-A163 HydrophobicContact CD2-CB 4.39Å; Y109-A163 HydrophobicContact CD1-CB 4.2Å; Y109-A163 HydrophobicContact CE1-CB 3.67Å; Y109-A163 HydrophobicContact CE2-CB 4.04Å; Y147-A163 PolarHBondContact OH-O 3.04Å; D161-A163 VanDerWaalsContact C-N 3.34Å; D161-A163 PolarHBondContact O-N 3.16Å; D161-A163 WeakPolarHBondContact OD1-CA 3.44Å; D161-A163 WeakPolarHBondContact OD1-CB 3.37Å; D161-A163 PolarHBondContact OD1-N 3.04Å; A163-Q165 VanDerWaalsContact C-N 3.27Å; A163-Q165 PolarHBondContact O-N 3.38Å; A163-I166 WeakPolarHBondContact O-CA 3.32Å; A163-I166 VanDerWaalsContact O-CB 3.23Å; A163-I166 WeakPolarHBondContact O-CB 3.44Å; A163-I166 PolarHBondContact O-N 3.48Å
164	A	98.3	Very high	98.1	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-58.6	-36.8	173	0	0	0	0	0	112.7	Y147 A159 D161 I166 S167 Q168	Y147-A164 HydrophobicContact CD2-CB 3.84Å; Y147-A164 VanDerWaalsContact CE2-CA 3.47Å; Y147-A164 HydrophobicContact CE2-CB 3.71Å; Y147-A164 HydrophobicContact CG-CB 4.31Å; Y147-A164 WeakPolarHBondContact O-CB 3.34Å; A159-A164 HydrophobicContact CB-CB 3.65Å; D161-A164 PolarHBondContact O-N 2.96Å; D161-A164 PolarHBondContact OD1-N 3.24Å; A164-I166 PolarHBondContact O-N 2.88Å; A164-S167 CarbonylContact O-C 3.55Å; A164-S167 WeakPolarHBondContact O-CA 3.43Å; A164-S167 WeakPolarHBondContact O-CB 3.23Å; A164-S167 PolarHBondContact O-N 2.67Å; A164-Q168 PolarHBondContact O-N 2.84Å
165	Q	98.6	Very high	98.1	Very high	75 Å²	75	68.8 Å²	68.8	35%	0.35	36%	0.363	S	S	.	.	H	α-helix	trans	-58.8	-26.8	171.9	-72.2	175.6	22.6	0	0	113.6	A159 D161 A163 R169	A159-Q165 HydrophobicContact CB-CG 4.04Å; D161-Q165 WeakPolarHBondContact O-CG 3.47Å; D161-Q165 PolarHBondContact O-N 2.93Å; A163-Q165 VanDerWaalsContact C-N 3.27Å; A163-Q165 PolarHBondContact O-N 3.38Å; Q165-R169 WeakPolarHBondContact O-CG 3.44Å; Q165-R169 PolarHBondContact O-N 2.89Å; Q165-R169 VanDerWaalsContact OE1-NH2 3.1Å
166	I	97.9	Very high	98.1	Very high	60 Å²	60	62.9 Å²	62.9	31%	0.308	34%	0.343	S	S	.	.	H	α-helix	trans	-71.6	-33.9	174.2	-51.9	172	0	0	0	110.6	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.34Å; Y108-I166 HydrophobicContact CD2-CB 4.41Å; Y108-I166 HydrophobicContact CD2-CD1 4.47Å; Y108-I166 HydrophobicContact CE1-CG2 4.01Å; Y108-I166 HydrophobicContact CE2-CB 4.01Å; Y108-I166 HydrophobicContact CE2-CG2 4.04Å; Y108-I166 HydrophobicContact CG-CD1 4.25Å; A163-I166 WeakPolarHBondContact O-CA 3.32Å; A163-I166 VanDerWaalsContact O-CB 3.23Å; A163-I166 WeakPolarHBondContact O-CB 3.44Å; A163-I166 PolarHBondContact O-N 3.48Å; A164-I166 PolarHBondContact O-N 2.88Å; I166-K170 WeakPolarHBondContact O-CD 3.49Å; I166-K170 WeakPolarHBondContact O-CG 3.39Å
167	S	97.8	Very high	98.1	Very high	25 Å²	25	61.2 Å²	61.2	18%	0.175	33%	0.332	C	S	.	.	H	α-helix	trans	-72.5	-45.9	170	-79.7	0	0	0	0	111.7	Y147 A164 R169 K170 L171	Y147-S167 WeakPolarHBondContact OH-CB 3.25Å; Y147-S167 PolarHBondContact OH-OG 3.31Å; A164-S167 CarbonylContact O-C 3.55Å; A164-S167 WeakPolarHBondContact O-CA 3.43Å; A164-S167 WeakPolarHBondContact O-CB 3.23Å; A164-S167 PolarHBondContact O-N 2.67Å; S167-R169 PolarHBondContact O-N 2.86Å; S167-K170 WeakPolarHBondContact O-CA 3.38Å; S167-K170 WeakPolarHBondContact O-CB 3.38Å; S167-K170 PolarHBondContact O-N 3.37Å; S167-L171 WeakPolarHBondContact O-CG 3.34Å; S167-L171 PolarHBondContact O-N 3.49Å
168	Q	98.5	Very high	98.1	Very high	40 Å²	40	66 Å²	66	19%	0.187	35%	0.354	C	S	.	.	H	α-helix	trans	-49.7	-56.1	179.9	175.6	168.8	3.9	0	0	112.1	I148 W157 A159 A164 K170 L171 E172	I148-Q168 HydrophobicContact CD1-CB 3.71Å; W157-Q168 HydrophobicContact CB-CG 4.28Å; W157-Q168 PolarHBondContact O-NE2 2.88Å; A159-Q168 HydrophobicContact CB-CB 4.35Å; A159-Q168 VanDerWaalsContact CB-OE1 3.26Å; A164-Q168 PolarHBondContact O-N 2.84Å; Q168-K170 PolarHBondContact O-N 2.9Å; Q168-L171 PolarHBondContact O-N 2.74Å; Q168-E172 VanDerWaalsContact CG-CD 3.43Å; Q168-E172 HydrophobicContact CG-CG 4.27Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.01Å; Q168-E172 PolarHBondContact NE2-OE1 2.98Å; Q168-E172 WeakPolarHBondContact O-CG 3.45Å; Q168-E172 PolarHBondContact O-N 3.3Å
169	R	98.5	Very high	98	Very high	151 Å²	151	67.5 Å²	67.5	57%	0.57	36%	0.356	S	S	*	.	H	α-helix	trans	-57.9	-27.9	-179.8	-64.5	168.5	-162.7	154.4	11	113.2	Q165 S167 A173	Q165-R169 WeakPolarHBondContact O-CG 3.44Å; Q165-R169 PolarHBondContact O-N 2.89Å; Q165-R169 VanDerWaalsContact OE1-NH2 3.1Å; S167-R169 PolarHBondContact O-N 2.86Å; R169-A173 VanDerWaalsContact O-CB 3.25Å; R169-A173 WeakPolarHBondContact O-CB 3.3Å; R169-A173 PolarHBondContact O-N 2.87Å; R169-A173 VanDerWaalsContact O-N 3.13Å
170	K	97.5	Very high	97.9	Very high	117 Å²	117	69.6 Å²	69.6	51%	0.509	36%	0.359	S	S	.	.	H	α-helix	trans	-80.3	-38.9	176.8	-66.4	172.7	-172.9	179.1	0	111.8	Y108 I166 S167 Q168 A174	Y108-K170 PolarHBondContact OH-NZ 3.17Å; I166-K170 WeakPolarHBondContact O-CD 3.49Å; I166-K170 WeakPolarHBondContact O-CG 3.39Å; S167-K170 WeakPolarHBondContact O-CA 3.38Å; S167-K170 WeakPolarHBondContact O-CB 3.38Å; S167-K170 PolarHBondContact O-N 3.37Å; Q168-K170 PolarHBondContact O-N 2.9Å; K170-A174 WeakPolarHBondContact O-CB 3.41Å; K170-A174 PolarHBondContact O-N 2.83Å
171	L	97.8	Very high	97.9	Very high	36 Å²	36	70.4 Å²	70.4	19%	0.188	35%	0.349	C	S	.	.	H	α-helix	trans	-66.5	-40	174.3	-62.7	176.2	0	0	0	111.3	I148 W157 S167 Q168 A174 R175 E176	I148-L171 HydrophobicContact CD1-CD1 3.87Å; W157-L171 HydrophobicContact CD2-CD1 3.87Å; W157-L171 HydrophobicContact CE3-CD1 3.86Å; W157-L171 HydrophobicContact CH2-CD1 3.88Å; W157-L171 HydrophobicContact CZ2-CB 4.16Å; W157-L171 HydrophobicContact CZ2-CD1 3.88Å; W157-L171 HydrophobicContact CZ2-CG 4.47Å; W157-L171 HydrophobicContact CZ3-CD1 3.87Å; S167-L171 WeakPolarHBondContact O-CG 3.34Å; S167-L171 PolarHBondContact O-N 3.49Å; Q168-L171 PolarHBondContact O-N 2.74Å; L171-A174 CarbonylContact O-C 3.46Å; L171-A174 PolarHBondContact O-N 2.97Å; L171-R175 PolarHBondContact O-N 3.5Å; L171-E176 HydrophobicContact CB-CB 4.1Å; L171-E176 HydrophobicContact CD2-CB 3.92Å; L171-E176 HydrophobicContact CD2-CG 3.76Å; L171-E176 PolarHBondContact O-N 2.87Å
172	E	98.2	Very high	97.9	Very high	89 Å²	89	71 Å²	71	42%	0.416	36%	0.361	S	S	.	.	H	α-helix	trans	-65	-50.7	175.6	-70.3	166	165.5	0	0	111.4	Q168 A174 R175	Q168-E172 VanDerWaalsContact CG-CD 3.43Å; Q168-E172 HydrophobicContact CG-CG 4.27Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.01Å; Q168-E172 PolarHBondContact NE2-OE1 2.98Å; Q168-E172 WeakPolarHBondContact O-CG 3.45Å; Q168-E172 PolarHBondContact O-N 3.3Å; E172-A174 PolarHBondContact O-N 3.05Å; E172-R175 PolarHBondContact O-N 2.95Å
173	A	98.1	Very high	97.9	Very high	88 Å²	88	68 Å²	68	73%	0.727	34%	0.337	S	S	*	.	H	α-helix	trans	-61.5	-31.1	176.5	0	0	0	0	0	113.3	R169	R169-A173 VanDerWaalsContact O-CB 3.25Å; R169-A173 WeakPolarHBondContact O-CB 3.3Å; R169-A173 PolarHBondContact O-N 2.87Å; R169-A173 VanDerWaalsContact O-N 3.13Å
174	A	97.6	Very high	98	Very high	54 Å²	54	67.7 Å²	67.7	45%	0.446	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-0.9	175	0	0	0	0	0	114.2	K170 L171 E172 E176	K170-A174 WeakPolarHBondContact O-CB 3.41Å; K170-A174 PolarHBondContact O-N 2.83Å; L171-A174 CarbonylContact O-C 3.46Å; L171-A174 PolarHBondContact O-N 2.97Å; E172-A174 PolarHBondContact O-N 3.05Å; A174-E176 HydrophobicContact CB-CG 4.18Å; A174-E176 PolarHBondContact O-N 2.89Å
175	R	97.4	Very high	98	Very high	155 Å²	155	71.8 Å²	71.8	59%	0.585	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	33.5	-175	-63.2	168.2	165.6	-110.6	-4	113.8	L171 E172 A177 E178	L171-R175 PolarHBondContact O-N 3.5Å; E172-R175 PolarHBondContact O-N 2.95Å; R175-A177 PolarHBondContact O-N 2.95Å; R175-A177 VanDerWaalsContact O-N 3.13Å; R175-E178 HydrophobicContact CB-CG 4.2Å; R175-E178 WeakPolarHBondContact CD-OE2 3.39Å; R175-E178 IonicContact CZ-OE1 2.99Å; R175-E178 VanDerWaalsContact NH1-CD 3.35Å; R175-E178 IonicContact NH1-OE1 3.71Å; R175-E178 PolarHBondContact NH1-OE1 2.93Å; R175-E178 IonicContact NH1-OE2 2.86Å; R175-E178 PolarHBondContact NH1-OE2 2.83Å; R175-E178 WeakPolarHBondContact O-CB 3.36Å; R175-E178 PolarHBondContact O-N 3.37Å
176	E	97.4	Very high	97.9	Very high	44 Å²	44	69.3 Å²	69.3	21%	0.206	35%	0.349	C	S	.	.	H	α-helix	trans	-57.3	-32.2	-176.8	-88.2	-87.1	166.6	0	0	112.6	W157 L171 A174 E178 Q179 R180	W157-E176 HydrophobicContact CZ2-CB 4.11Å; L171-E176 HydrophobicContact CB-CB 4.1Å; L171-E176 HydrophobicContact CD2-CB 3.92Å; L171-E176 HydrophobicContact CD2-CG 3.76Å; L171-E176 PolarHBondContact O-N 2.87Å; A174-E176 HydrophobicContact CB-CG 4.18Å; A174-E176 PolarHBondContact O-N 2.89Å; E176-E178 VanDerWaalsContact C-N 3.31Å; E176-E178 PolarHBondContact O-N 2.96Å; E176-Q179 PolarHBondContact O-N 3.32Å; E176-Q179 VanDerWaalsContact O-N 3.15Å; E176-R180 WeakPolarHBondContact O-CG 3.49Å; E176-R180 PolarHBondContact O-N 2.93Å; E176-R180 IonicContact OE1-NH2 3.35Å; E176-R180 IonicContact OE2-CZ 3.12Å; E176-R180 VanDerWaalsContact OE2-CZ 3.27Å; E176-R180 IonicContact OE2-NE 2.72Å; E176-R180 PolarHBondContact OE2-NE 3.25Å; E176-R180 IonicContact OE2-NH2 2.76Å; E176-R180 PolarHBondContact OE2-NH2 3.38Å
177	A	98.2	Very high	97.9	Very high	7 Å²	7	68.9 Å²	68.9	6%	0.058	35%	0.349	C	S	.	.	H	α-helix	trans	-58.5	-39.4	174.8	0	0	0	0	0	112.7	L150 R155 W157 R175 Q179 R180 R181	L150-A177 HydrophobicContact CD1-CB 3.91Å; R155-A177 VanDerWaalsContact O-CB 3.28Å; R155-A177 WeakPolarHBondContact O-CB 3.26Å; W157-A177 HydrophobicContact CZ2-CB 4.37Å; R175-A177 PolarHBondContact O-N 2.95Å; R175-A177 VanDerWaalsContact O-N 3.13Å; A177-Q179 VanDerWaalsContact C-N 3.3Å; A177-Q179 PolarHBondContact O-N 2.85Å; A177-R180 PolarHBondContact O-N 3.43Å; A177-R181 WeakPolarHBondContact O-CB 3.47Å; A177-R181 PolarHBondContact O-N 3.21Å
178	E	97.9	Very high	98	Very high	110 Å²	110	67.7 Å²	67.7	51%	0.514	34%	0.341	S	S	.	.	H	α-helix	trans	-60.9	-40.9	176.8	-61.3	177.3	180	0	0	110.8	R175 E176 A182	R175-E178 HydrophobicContact CB-CG 4.2Å; R175-E178 WeakPolarHBondContact CD-OE2 3.39Å; R175-E178 IonicContact CZ-OE1 2.99Å; R175-E178 VanDerWaalsContact NH1-CD 3.35Å; R175-E178 IonicContact NH1-OE1 3.71Å; R175-E178 PolarHBondContact NH1-OE1 2.93Å; R175-E178 IonicContact NH1-OE2 2.86Å; R175-E178 PolarHBondContact NH1-OE2 2.83Å; R175-E178 WeakPolarHBondContact O-CB 3.36Å; R175-E178 PolarHBondContact O-N 3.37Å; E176-E178 VanDerWaalsContact C-N 3.31Å; E176-E178 PolarHBondContact O-N 2.96Å; E178-A182 WeakPolarHBondContact O-CB 3.47Å; E178-A182 PolarHBondContact O-N 3.05Å
179	Q	96.9	Very high	97.9	Very high	113 Å²	113	66.3 Å²	66.3	53%	0.528	34%	0.335	S	S	.	.	H	α-helix	trans	-70.8	-40.7	177.3	-58.2	-177.4	38.8	0	0	112.7	E176 A177 Y183	E176-Q179 PolarHBondContact O-N 3.32Å; E176-Q179 VanDerWaalsContact O-N 3.15Å; A177-Q179 VanDerWaalsContact C-N 3.3Å; A177-Q179 PolarHBondContact O-N 2.85Å; Q179-Y183 PolarHBondContact O-N 2.8Å
180	R	97.9	Very high	97.9	Very high	65 Å²	65	65 Å²	65	25%	0.245	34%	0.336	C	S	.	.	H	α-helix	trans	-65.6	-43.8	176.2	-59.7	-59.2	149	-157	-6.8	110.6	L150 W157 E176 A177 Y183 L184	L150-R180 HydrophobicContact CD2-CB 3.84Å; W157-R180 HydrophobicContact CH2-CG 4.25Å; E176-R180 WeakPolarHBondContact O-CG 3.49Å; E176-R180 PolarHBondContact O-N 2.93Å; E176-R180 IonicContact OE1-NH2 3.35Å; E176-R180 IonicContact OE2-CZ 3.12Å; E176-R180 VanDerWaalsContact OE2-CZ 3.27Å; E176-R180 IonicContact OE2-NE 2.72Å; E176-R180 PolarHBondContact OE2-NE 3.25Å; E176-R180 IonicContact OE2-NH2 2.76Å; E176-R180 PolarHBondContact OE2-NH2 3.38Å; A177-R180 PolarHBondContact O-N 3.43Å; R180-Y183 PolarHBondContact O-N 3.13Å; R180-L184 WeakPolarHBondContact O-CB 3.22Å; R180-L184 WeakPolarHBondContact O-CG 3.41Å; R180-L184 PolarHBondContact O-N 2.79Å
181	R	98.3	Very high	97.9	Very high	78 Å²	78	62.3 Å²	62.3	29%	0.294	32%	0.322	S	S	.	.	H	α-helix	trans	-59.2	-47.7	176.1	-173.7	170.1	177.6	-111.2	-21	112.1	L154 A177 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 3.98Å; L154-R181 HydrophobicContact CB-CG 3.76Å; L154-R181 HydrophobicContact CD1-CG 4.19Å; A177-R181 WeakPolarHBondContact O-CB 3.47Å; A177-R181 PolarHBondContact O-N 3.21Å; R181-Y183 VanDerWaalsContact C-N 3.32Å; R181-Y183 PolarHBondContact O-N 3.01Å; R181-L184 PolarHBondContact O-N 2.81Å; R181-L184 VanDerWaalsContact O-N 3.12Å; R181-E185 VanDerWaalsContact CG-CD 3.47Å; R181-E185 HydrophobicContact CG-CG 4.04Å; R181-E185 WeakPolarHBondContact CG-OE2 3.42Å; R181-E185 IonicContact CZ-OE1 3.18Å; R181-E185 IonicContact CZ-OE2 3.15Å; R181-E185 VanDerWaalsContact NE-CD 3.28Å; R181-E185 IonicContact NE-OE1 2.7Å; R181-E185 PolarHBondContact NE-OE1 2.94Å; R181-E185 IonicContact NE-OE2 3.77Å; R181-E185 PolarHBondContact NE-OE2 3.4Å; R181-E185 VanDerWaalsContact NH2-CD 3.27Å; R181-E185 IonicContact NH2-OE1 3.58Å; R181-E185 PolarHBondContact NH2-OE1 3.37Å; R181-E185 IonicContact NH2-OE2 2.75Å; R181-E185 PolarHBondContact NH2-OE2 2.76Å; R181-E185 WeakPolarHBondContact O-CB 3.47Å; R181-E185 WeakPolarHBondContact O-CG 3.3Å; R181-E185 PolarHBondContact O-N 2.89Å
182	A	98.3	Very high	97.9	Very high	64 Å²	64	60.6 Å²	60.6	53%	0.529	31%	0.313	S	S	.	.	H	α-helix	trans	-59.5	-39.2	176.8	0	0	0	0	0	113.2	E178 G186	E178-A182 WeakPolarHBondContact O-CB 3.47Å; E178-A182 PolarHBondContact O-N 3.05Å; A182-G186 PolarHBondContact O-N 3.08Å
183	Y	98.1	Very high	97.9	Very high	49 Å²	49	62.4 Å²	62.4	19%	0.192	32%	0.316	C	S	.	.	I	π-helix	trans	-67.2	-42.6	172.7	171.3	-99.4	0	0	0	112.4	Y123 Q179 R180 R181 T187 C188	Y123-Y183 AromaticContact CD2-CE1 3.88Å; Y123-Y183 HydrophobicContact CD2-CE1 3.88Å; Y123-Y183 AromaticContact CE2-CE1 3.72Å; Y123-Y183 HydrophobicContact CE2-CE1 3.72Å; Q179-Y183 PolarHBondContact O-N 2.8Å; R180-Y183 PolarHBondContact O-N 3.13Å; R181-Y183 VanDerWaalsContact C-N 3.32Å; R181-Y183 PolarHBondContact O-N 3.01Å; Y183-T187 HydrophobicContact CD2-CG2 3.98Å; Y183-T187 HydrophobicContact CE2-CG2 3.84Å; Y183-T187 PolarHBondContact O-N 3.45Å; Y183-C188 HydrophobicContact CD1-CB 4.35Å; Y183-C188 HydrophobicContact CE1-CB 3.91Å; Y183-C188 VanDerWaalsContact O-CB 3.3Å; Y183-C188 WeakPolarHBondContact O-CB 3.38Å; Y183-C188 PolarHBondContact O-N 2.81Å
184	L	98.5	Very high	97.8	Very high	2 Å²	2	59.6 Å²	59.6	1%	0.01	30%	0.296	C	S	.	.	I	π-helix	trans	-74.1	-37.6	-175.1	-71.1	171.4	0	0	0	113.3	G124 C125 L150 L154 R180 R181 C188	G124-L184 WeakPolarHBondContact O-CD2 3.28Å; C125-L184 HydrophobicContact CB-CD2 4.44Å; L150-L184 HydrophobicContact CD2-CD1 3.98Å; L154-L184 HydrophobicContact CD1-CB 4.42Å; L154-L184 HydrophobicContact CD2-CD1 3.96Å; R180-L184 WeakPolarHBondContact O-CB 3.22Å; R180-L184 WeakPolarHBondContact O-CG 3.41Å; R180-L184 PolarHBondContact O-N 2.79Å; R181-L184 PolarHBondContact O-N 2.81Å; R181-L184 VanDerWaalsContact O-N 3.12Å; L184-C188 HydrophobicContact CD2-CB 4.44Å
185	E	98.1	Very high	97.7	Very high	85 Å²	85	57.1 Å²	57.1	40%	0.397	28%	0.275	S	S	.	.	I	π-helix	trans	-80.4	-27.7	178.6	-67.2	-179	158.3	0	0	113.3	L133 L154 R181	L133-E185 HydrophobicContact CD2-CB 4.49Å; L133-E185 HydrophobicContact CD2-CG 3.8Å; L154-E185 HydrophobicContact CD1-CG 4.24Å; R181-E185 VanDerWaalsContact CG-CD 3.47Å; R181-E185 HydrophobicContact CG-CG 4.04Å; R181-E185 WeakPolarHBondContact CG-OE2 3.42Å; R181-E185 IonicContact CZ-OE1 3.18Å; R181-E185 IonicContact CZ-OE2 3.15Å; R181-E185 VanDerWaalsContact NE-CD 3.28Å; R181-E185 IonicContact NE-OE1 2.7Å; R181-E185 PolarHBondContact NE-OE1 2.94Å; R181-E185 IonicContact NE-OE2 3.77Å; R181-E185 PolarHBondContact NE-OE2 3.4Å; R181-E185 VanDerWaalsContact NH2-CD 3.27Å; R181-E185 IonicContact NH2-OE1 3.58Å; R181-E185 PolarHBondContact NH2-OE1 3.37Å; R181-E185 IonicContact NH2-OE2 2.75Å; R181-E185 PolarHBondContact NH2-OE2 2.76Å; R181-E185 WeakPolarHBondContact O-CB 3.47Å; R181-E185 WeakPolarHBondContact O-CG 3.3Å; R181-E185 PolarHBondContact O-N 2.89Å
186	G	97.8	Very high	97.7	Very high	24 Å²	24	50.4 Å²	50.4	25%	0.247	25%	0.251	C	S	.	.	I	π-helix	trans	-106.6	-93.6	178	0	0	0	0	0	112.4	A182 C188 V189 E190	A182-G186 PolarHBondContact O-N 3.08Å; G186-C188 VanDerWaalsContact C-N 3.26Å; G186-C188 PolarHBondContact O-N 2.61Å; G186-V189 WeakPolarHBondContact O-CA 3.48Å; G186-V189 WeakPolarHBondContact O-CB 3.31Å; G186-V189 PolarHBondContact O-N 3.11Å; G186-E190 PolarHBondContact O-N 2.92Å
187	T	97.8	Very high	97.5	Very high	51 Å²	51	53.7 Å²	53.7	31%	0.313	27%	0.266	S	S	.	.	I	π-helix	trans	-52.3	-35.2	-168.3	-56	0	0	0	0	115.1	Y183 E190 W191	Y183-T187 HydrophobicContact CD2-CG2 3.98Å; Y183-T187 HydrophobicContact CE2-CG2 3.84Å; Y183-T187 PolarHBondContact O-N 3.45Å; T187-E190 VanDerWaalsContact CA-OE2 3.3Å; T187-E190 WeakPolarHBondContact CA-OE2 3.48Å; T187-W191 PolarHBondContact O-N 3.11Å
188	C	98.4	Very high	97.4	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-66	-46	176.7	-166.3	0	0	0	0	111.7	M29 C125 Y183 L184 G186 L192	M29-C188 HydrophobicContact CE-CB 4.25Å; M29-C188 VanDerWaalsContact CE-O 3.24Å; M29-C188 WeakPolarHBondContact CE-O 3.38Å; M29-C188 WeakPolarHBondContact CE-SG 3.24Å; C125-C188 HydrophobicContact CB-CB 3.84Å; C125-C188 WeakPolarHBondContact CB-SG 3.39Å; C125-C188 PolarHBondContact N-SG 3.41Å; C125-C188 VanDerWaalsContact N-SG 3.39Å; C125-C188 WeakPolarHBondContact SG-CB 3.3Å; C125-C188 PolarHBondContact SG-O 3.02Å; C125-C188 CovalentContact SG-SG 2.03Å; C125-C188 PolarHBondContact SG-SG 2.94Å; Y183-C188 HydrophobicContact CD1-CB 4.35Å; Y183-C188 HydrophobicContact CE1-CB 3.91Å; Y183-C188 VanDerWaalsContact O-CB 3.3Å; Y183-C188 WeakPolarHBondContact O-CB 3.38Å; Y183-C188 PolarHBondContact O-N 2.81Å; L184-C188 HydrophobicContact CD2-CB 4.44Å; G186-C188 VanDerWaalsContact C-N 3.26Å; G186-C188 PolarHBondContact O-N 2.61Å; C188-L192 WeakPolarHBondContact O-CB 3.27Å; C188-L192 PolarHBondContact O-N 3.26Å
189	V	98.2	Very high	97.2	Very high	10 Å²	10	51.5 Å²	51.5	6%	0.061	26%	0.257	C	S	.	.	H	α-helix	trans	-62.2	-42.8	175.4	-179.6	0	0	0	0	111	L127 L133 G186 R193	L127-V189 HydrophobicContact CD1-CG1 4.48Å; L127-V189 HydrophobicContact CD2-CB 4.19Å; L127-V189 HydrophobicContact CD2-CG1 3.79Å; L127-V189 HydrophobicContact CD2-CG2 3.87Å; L133-V189 HydrophobicContact CB-CG2 4.03Å; L133-V189 HydrophobicContact CD1-CG2 4.21Å; G186-V189 WeakPolarHBondContact O-CA 3.48Å; G186-V189 WeakPolarHBondContact O-CB 3.31Å; G186-V189 PolarHBondContact O-N 3.11Å; V189-R193 HydrophobicContact CG1-CG 4.45Å; V189-R193 WeakPolarHBondContact O-CB 3.32Å; V189-R193 VanDerWaalsContact O-CG 3.28Å; V189-R193 WeakPolarHBondContact O-CG 3.47Å; V189-R193 PolarHBondContact O-N 3.35Å
190	E	97.8	Very high	97	Very high	124 Å²	124	50.2 Å²	50.2	58%	0.579	25%	0.25	S	S	*	.	H	α-helix	trans	-60.7	-50.6	179.3	-67.3	170.2	157.1	0	0	112	G186 T187 G194	G186-E190 PolarHBondContact O-N 2.92Å; T187-E190 VanDerWaalsContact CA-OE2 3.3Å; T187-E190 WeakPolarHBondContact CA-OE2 3.48Å; E190-G194 PolarHBondContact O-N 2.88Å
191	W	97.7	Very high	96.6	Very high	61 Å²	61	55.8 Å²	55.8	23%	0.231	28%	0.279	C	S	.	.	H	α-helix	trans	-67.3	-41.6	179.1	-79.8	104.5	0	0	0	112.7	M29 Y83 T187 G194 Y195	M29-W191 HydrophobicContact CE-CB 4.05Å; M29-W191 HydrophobicContact SD-CB 4.37Å; Y83-W191 AromaticContact CD2-CH2 3.71Å; Y83-W191 HydrophobicContact CD2-CH2 3.71Å; Y83-W191 HydrophobicContact CD2-CZ2 4.4Å; Y83-W191 AromaticContact CD2-CZ3 3.83Å; Y83-W191 HydrophobicContact CD2-CZ3 3.83Å; Y83-W191 HydrophobicContact CE2-CE3 4.17Å; Y83-W191 HydrophobicContact CE2-CH2 4.03Å; Y83-W191 AromaticContact CE2-CZ3 3.77Å; Y83-W191 HydrophobicContact CE2-CZ3 3.77Å; T187-W191 PolarHBondContact O-N 3.11Å; W191-G194 PolarHBondContact O-N 3.2Å; W191-Y195 HydrophobicContact CB-CE2 4.1Å; W191-Y195 HydrophobicContact CE3-CD1 4.42Å; W191-Y195 AromaticContact CE3-CE1 3.54Å; W191-Y195 HydrophobicContact CE3-CE1 3.54Å; W191-Y195 HydrophobicContact CE3-CE2 4.48Å; W191-Y195 AromaticContact CE3-CZ 3.57Å; W191-Y195 HydrophobicContact CZ3-CE1 4.04Å; W191-Y195 VanDerWaalsContact O-CD2 3.32Å; W191-Y195 WeakPolarHBondContact O-CD2 3.48Å; W191-Y195 PolarHBondContact O-N 2.97Å
192	L	98.1	Very high	96.2	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-62.3	-44.8	177.9	174.2	51.4	0	0	0	111.6	M29 V52 L127 C188 G194 Y195 L196	M29-L192 HydrophobicContact CB-CB 4.03Å; M29-L192 HydrophobicContact CB-CD1 4.05Å; M29-L192 HydrophobicContact CB-CD2 3.96Å; M29-L192 HydrophobicContact CB-CG 4.24Å; M29-L192 HydrophobicContact CE-CB 4.3Å; V52-L192 HydrophobicContact CG1-CD1 3.6Å; V52-L192 HydrophobicContact CG2-CD1 4.23Å; L127-L192 HydrophobicContact CD1-CB 4.36Å; L127-L192 HydrophobicContact CD1-CD2 3.74Å; L127-L192 HydrophobicContact CD1-CG 3.78Å; L127-L192 HydrophobicContact CD2-CD2 4.43Å; L127-L192 HydrophobicContact CG-CD2 3.62Å; L127-L192 HydrophobicContact CG-CG 4.25Å; C188-L192 WeakPolarHBondContact O-CB 3.27Å; C188-L192 PolarHBondContact O-N 3.26Å; L192-G194 VanDerWaalsContact C-N 3.33Å; L192-G194 PolarHBondContact O-N 2.89Å; L192-Y195 PolarHBondContact O-N 3.24Å; L192-L196 HydrophobicContact CD1-CD1 3.72Å; L192-L196 HydrophobicContact CD1-CD2 4.45Å; L192-L196 HydrophobicContact CD1-CG 3.85Å; L192-L196 HydrophobicContact CG-CD1 3.95Å; L192-L196 WeakPolarHBondContact O-CB 3.45Å; L192-L196 VanDerWaalsContact O-CG 3.25Å; L192-L196 WeakPolarHBondContact O-CG 3.39Å; L192-L196 PolarHBondContact O-N 2.82Å
193	R	96.5	Very high	95.9	Very high	127 Å²	127	51.2 Å²	51.2	48%	0.479	25%	0.253	S	S	.	.	H	α-helix	trans	-59.9	-42	173.2	-72.1	174.2	-179.6	179.9	1	112.4	L127 G131 V189 L196 E197	L127-R193 HydrophobicContact CD1-CG 3.96Å; G131-R193 VanDerWaalsContact O-CZ 3.26Å; G131-R193 PolarHBondContact O-NE 2.84Å; G131-R193 PolarHBondContact O-NH2 3.2Å; V189-R193 HydrophobicContact CG1-CG 4.45Å; V189-R193 WeakPolarHBondContact O-CB 3.32Å; V189-R193 VanDerWaalsContact O-CG 3.28Å; V189-R193 WeakPolarHBondContact O-CG 3.47Å; V189-R193 PolarHBondContact O-N 3.35Å; R193-L196 PolarHBondContact O-N 3.31Å; R193-E197 PolarHBondContact O-N 2.84Å
194	G	96.1	Very high	95.4	Very high	29 Å²	29	53.3 Å²	53.3	30%	0.299	27%	0.265	S	S	.	.	H	α-helix	trans	-61	-45.6	175.7	0	0	0	0	0	112.5	E190 W191 L192 E197 N198	E190-G194 PolarHBondContact O-N 2.88Å; W191-G194 PolarHBondContact O-N 3.2Å; L192-G194 VanDerWaalsContact C-N 3.33Å; L192-G194 PolarHBondContact O-N 2.89Å; G194-E197 PolarHBondContact O-N 3.39Å; G194-N198 WeakPolarHBondContact O-CB 3.31Å; G194-N198 PolarHBondContact O-N 2.85Å; G194-N198 PolarHBondContact O-OD1 2.74Å
195	Y	97	Very high	95.1	Very high	2 Å²	2	57 Å²	57	1%	0.008	28%	0.279	C	S	.	.	H	α-helix	trans	-66.9	-37.3	177.1	-61.8	-27	0	0	0	113	M29 V52 F57 W75 V76 Y83 W191 L192 E197 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.94Å; M29-Y195 HydrophobicContact SD-CE2 3.63Å; V52-Y195 HydrophobicContact CG2-CD2 3.81Å; V52-Y195 HydrophobicContact CG2-CG 4.43Å; F57-Y195 HydrophobicContact CD2-CE2 4.49Å; F57-Y195 HydrophobicContact CE1-CE2 4.45Å; F57-Y195 AromaticContact CE2-CE2 3.79Å; F57-Y195 HydrophobicContact CE2-CE2 3.79Å; F57-Y195 HydrophobicContact CZ-CD2 4.4Å; F57-Y195 AromaticContact CZ-CE2 3.76Å; F57-Y195 HydrophobicContact CZ-CE2 3.76Å; W75-Y195 HydrophobicContact CE3-CD1 4.24Å; W75-Y195 HydrophobicContact CE3-CG 4.37Å; W75-Y195 HydrophobicContact CH2-CD2 4.31Å; W75-Y195 HydrophobicContact CH2-CG 4.04Å; W75-Y195 AromaticContact CZ3-CD1 3.62Å; W75-Y195 HydrophobicContact CZ3-CD1 3.62Å; W75-Y195 HydrophobicContact CZ3-CD2 4.08Å; W75-Y195 HydrophobicContact CZ3-CE1 4.33Å; W75-Y195 AromaticContact CZ3-CG 3.48Å; W75-Y195 HydrophobicContact CZ3-CG 3.48Å; W75-Y195 VanDerWaalsContact CZ3-CG 3.48Å; V76-Y195 HydrophobicContact CG2-CE1 4.29Å; Y83-Y195 WeakPolarHBondContact CE2-OH 2.98Å; Y83-Y195 PolarHBondContact OH-OH 3.4Å; W191-Y195 HydrophobicContact CB-CE2 4.1Å; W191-Y195 HydrophobicContact CE3-CD1 4.42Å; W191-Y195 AromaticContact CE3-CE1 3.54Å; W191-Y195 HydrophobicContact CE3-CE1 3.54Å; W191-Y195 HydrophobicContact CE3-CE2 4.48Å; W191-Y195 AromaticContact CE3-CZ 3.57Å; W191-Y195 HydrophobicContact CZ3-CE1 4.04Å; W191-Y195 VanDerWaalsContact O-CD2 3.32Å; W191-Y195 WeakPolarHBondContact O-CD2 3.48Å; W191-Y195 PolarHBondContact O-N 2.97Å; L192-Y195 PolarHBondContact O-N 3.24Å; Y195-E197 VanDerWaalsContact C-N 3.33Å; Y195-E197 PolarHBondContact O-N 2.81Å; Y195-N198 PolarHBondContact O-N 3.16Å; Y195-G199 WeakPolarHBondContact O-CA 3.41Å; Y195-G199 PolarHBondContact O-N 3.1Å; Y195-L203 WeakPolarHBondContact O-CD1 3.4Å
196	L	95.7	Very high	94.8	Very high	14 Å²	14	55.1 Å²	55.1	7%	0.073	28%	0.277	C	S	.	.	H	α-helix	trans	-64.8	-33.8	176.7	-73.6	166.2	0	0	0	112.8	H27 V52 L192 R193 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.69Å; H27-L196 HydrophobicContact CB-CD2 4.06Å; H27-L196 HydrophobicContact CB-CG 4.48Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.49Å; V52-L196 HydrophobicContact CG1-CD2 4.17Å; L192-L196 HydrophobicContact CD1-CD1 3.72Å; L192-L196 HydrophobicContact CD1-CD2 4.45Å; L192-L196 HydrophobicContact CD1-CG 3.85Å; L192-L196 HydrophobicContact CG-CD1 3.95Å; L192-L196 WeakPolarHBondContact O-CB 3.45Å; L192-L196 VanDerWaalsContact O-CG 3.25Å; L192-L196 WeakPolarHBondContact O-CG 3.39Å; L192-L196 PolarHBondContact O-N 2.82Å; R193-L196 PolarHBondContact O-N 3.31Å; L196-K200 VanDerWaalsContact O-CA 3.24Å; L196-K200 WeakPolarHBondContact O-CA 3.45Å; L196-K200 PolarHBondContact O-N 3.09Å; L196-L203 HydrophobicContact CD2-CB 4.08Å; L196-L203 HydrophobicContact CD2-CD1 4.28Å; L196-Q204 PolarHBondContact O-NE2 2.88Å
197	E	95	Very high	94.7	Very high	113 Å²	113	57 Å²	57	53%	0.528	28%	0.28	S	S	.	.	H	α-helix	trans	-80.1	-42.5	173.4	-165.4	63.6	-161	0	0	111.7	R193 G194 Y195 G199 K200	R193-E197 PolarHBondContact O-N 2.84Å; G194-E197 PolarHBondContact O-N 3.39Å; Y195-E197 VanDerWaalsContact C-N 3.33Å; Y195-E197 PolarHBondContact O-N 2.81Å; E197-G199 VanDerWaalsContact C-N 3.32Å; E197-G199 PolarHBondContact O-N 3.29Å; E197-K200 WeakPolarHBondContact O-CB 3.45Å; E197-K200 PolarHBondContact O-N 3.22Å; E197-K200 IonicContact OE1-NZ 2.7Å; E197-K200 PolarHBondContact OE1-NZ 2.95Å; E197-K200 IonicContact OE2-NZ 3.25Å; E197-K200 PolarHBondContact OE2-NZ 2.88Å
198	N	95.3	Very high	94.6	Very high	67 Å²	67	59.3 Å²	59.3	36%	0.358	28%	0.283	S	S	.	.	H	α-helix	trans	-59.6	-40.8	175.6	-73.3	-4.2	0	0	0	112.6	W75 Q78 G194 Y195	W75-N198 HydrophobicContact CB-CB 4.46Å; W75-N198 WeakPolarHBondContact CB-O 3.31Å; Q78-N198 PolarHBondContact NE2-ND2 3.23Å; Q78-N198 PolarHBondContact NE2-OD1 3.36Å; G194-N198 WeakPolarHBondContact O-CB 3.31Å; G194-N198 PolarHBondContact O-N 2.85Å; G194-N198 PolarHBondContact O-OD1 2.74Å; Y195-N198 PolarHBondContact O-N 3.16Å
199	G	94.5	Very high	94.6	Very high	3 Å²	3	59.7 Å²	59.7	3%	0.031	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	15.3	-175.8	0	0	0	0	0	114.3	W75 Y195 E197 E201 T202 L203	W75-G199 VanDerWaalsContact CB-CA 3.45Å; W75-G199 VanDerWaalsContact CG-CA 3.42Å; Y195-G199 WeakPolarHBondContact O-CA 3.41Å; Y195-G199 PolarHBondContact O-N 3.1Å; E197-G199 VanDerWaalsContact C-N 3.32Å; E197-G199 PolarHBondContact O-N 3.29Å; G199-E201 PolarHBondContact O-N 3Å; G199-T202 CarbonylContact O-C 3.55Å; G199-T202 WeakPolarHBondContact O-CA 3.38Å; G199-T202 PolarHBondContact O-N 2.85Å; G199-T202 PolarHBondContact O-OG1 3.3Å; G199-L203 PolarHBondContact O-N 2.85Å
200	K	92.4	Very high	94.6	Very high	87 Å²	87	65.2 Å²	65.2	38%	0.378	31%	0.308	S	S	.	.	H	α-helix	trans	-46.3	-50.1	-169.3	-171.3	167.6	-158.5	148.3	0	115.1	L196 E197 T202 Q204	L196-K200 VanDerWaalsContact O-CA 3.24Å; L196-K200 WeakPolarHBondContact O-CA 3.45Å; L196-K200 PolarHBondContact O-N 3.09Å; E197-K200 WeakPolarHBondContact O-CB 3.45Å; E197-K200 PolarHBondContact O-N 3.22Å; E197-K200 IonicContact OE1-NZ 2.7Å; E197-K200 PolarHBondContact OE1-NZ 2.95Å; E197-K200 IonicContact OE2-NZ 3.25Å; E197-K200 PolarHBondContact OE2-NZ 2.88Å; K200-T202 PolarHBondContact O-N 2.76Å; K200-T202 VanDerWaalsContact O-N 3.08Å; K200-Q204 HydrophobicContact CG-CG 4.48Å; K200-Q204 WeakPolarHBondContact O-CB 3.29Å; K200-Q204 PolarHBondContact O-N 3.09Å
201	E	89.3	Confident	94.5	Very high	181 Å²	181	59.7 Å²	59.7	85%	0.846	28%	0.283	S	S	*	.	H	α-helix	trans	-61.6	-17.2	178.1	-59	-173.5	158.7	0	0	113.8	G199 R205	G199-E201 PolarHBondContact O-N 3Å; E201-R205 WeakPolarHBondContact O-CD 3.43Å
202	T	89.7	Confident	94.5	Very high	42 Å²	42	60.5 Å²	60.5	26%	0.258	29%	0.289	S	S	.	.	H	α-helix	trans	-113.6	-29.1	-176.5	64	0	0	0	0	115	W75 G199 K200 R205	W75-T202 PolarHBondContact NE1-OG1 3.04Å; G199-T202 CarbonylContact O-C 3.55Å; G199-T202 WeakPolarHBondContact O-CA 3.38Å; G199-T202 PolarHBondContact O-N 2.85Å; G199-T202 PolarHBondContact O-OG1 3.3Å; K200-T202 PolarHBondContact O-N 2.76Å; K200-T202 VanDerWaalsContact O-N 3.08Å; T202-R205 PolarHBondContact O-NH1 3.17Å
203	L	91.3	Very high	94.4	Very high	5 Å²	5	61.6 Å²	61.6	3%	0.026	30%	0.296	C	S	.	.	H	α-helix	trans	-100.5	-31.3	-176.1	-61.9	173.5	0	0	0	112.5	V52 T55 W75 Y195 L196 G199 R205	V52-L203 HydrophobicContact CB-CD1 4.31Å; V52-L203 HydrophobicContact CB-CD2 4.22Å; V52-L203 HydrophobicContact CG1-CD1 3.85Å; V52-L203 HydrophobicContact CG1-CD2 4.1Å; T55-L203 HydrophobicContact CG2-CD2 4Å; W75-L203 HydrophobicContact CD2-CD1 4.42Å; W75-L203 HydrophobicContact CH2-CD1 4.34Å; W75-L203 HydrophobicContact CZ2-CD1 3.76Å; W75-L203 HydrophobicContact CZ2-CD2 4.01Å; W75-L203 HydrophobicContact CZ2-CG 4.3Å; Y195-L203 WeakPolarHBondContact O-CD1 3.4Å; L196-L203 HydrophobicContact CD2-CB 4.08Å; L196-L203 HydrophobicContact CD2-CD1 4.28Å; G199-L203 PolarHBondContact O-N 2.85Å; L203-R205 VanDerWaalsContact C-N 3.31Å
204	Q	89.3	Confident	94.5	Very high	93 Å²	93	57.2 Å²	57.2	44%	0.435	28%	0.283	S	S	.	.	S	Bend	trans	-98.2	30.8	177.5	-55.6	178.5	30.4	0	0	111	L196 K200	L196-Q204 PolarHBondContact O-NE2 2.88Å; K200-Q204 HydrophobicContact CG-CG 4.48Å; K200-Q204 WeakPolarHBondContact O-CB 3.29Å; K200-Q204 PolarHBondContact O-N 3.09Å
205	R	90.6	Very high	94.4	Very high	80 Å²	80	58.3 Å²	58.3	30%	0.302	28%	0.28	S	S	.	.			trans	-111.4	139.3	177.1	84.2	178.7	-168.1	-110.7	-1.9	110.2	E201 T202 L203 E207 Y233	E201-R205 WeakPolarHBondContact O-CD 3.43Å; T202-R205 PolarHBondContact O-NH1 3.17Å; L203-R205 VanDerWaalsContact C-N 3.31Å; R205-E207 IonicContact CZ-OE1 2.67Å; R205-E207 IonicContact NE-OE1 3.31Å; R205-E207 PolarHBondContact NE-OE1 2.86Å; R205-E207 IonicContact NH2-OE1 3.35Å; R205-E207 PolarHBondContact NH2-OE1 2.98Å; R205-Y233 HydrophobicContact CG-CD1 4.42Å; R205-Y233 WeakPolarHBondContact O-CD1 3.42Å
206	A	93.3	Very high	94.3	Very high	45 Å²	45	62 Å²	62	37%	0.372	30%	0.298	S	S	.	.			trans	-112.8	110.6	172	0	0	0	0	0	109.6	Y233 E288	A206-Y233 CarbonylContact C-O 3.53Å; A206-Y233 WeakPolarHBondContact CA-O 3.49Å; A206-E288 HydrophobicContact CB-CG 4.29Å; A206-E288 VanDerWaalsContact CB-OE1 3.23Å; A206-E288 WeakPolarHBondContact CB-OE1 3.34Å
207	E	94.9	Very high	94.3	Very high	63 Å²	63	66.1 Å²	66.1	29%	0.294	33%	0.325	S	S	.	.	B	Isolated β-bridge	trans	-90.5	122.8	176.7	-73	-175.3	-107.7	0	0	110.6	R205 F232 Y233 H287	R205-E207 IonicContact CZ-OE1 2.67Å; R205-E207 IonicContact NE-OE1 3.31Å; R205-E207 PolarHBondContact NE-OE1 2.86Å; R205-E207 IonicContact NH2-OE1 3.35Å; R205-E207 PolarHBondContact NH2-OE1 2.98Å; E207-F232 VanDerWaalsContact O-CA 3.22Å; E207-F232 WeakPolarHBondContact O-CA 3.3Å; E207-F232 VanDerWaalsContact O-CB 3.27Å; E207-F232 WeakPolarHBondContact O-CB 3.41Å; E207-Y233 PolarHBondContact N-O 3.43Å; E207-Y233 PolarHBondContact O-N 2.78Å; E207-H287 PolarHBondContact O-CE1 3.07Å
208	R	96.1	Very high	94.1	Very high	100 Å²	100	65.2 Å²	65.2	38%	0.377	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-72.1	133.3	-174.5	-71	-179.8	176.8	-166.8	-0.7	112.2	K210 G289 L290 A372	R208-K210 PolarHBondContact O-N 3.35Å; R208-G289 WeakPolarHBondContact CD-O 3.36Å; R208-G289 WeakPolarHBondContact CG-O 3.34Å; R208-G289 PolarHBondContact NE-O 3.14Å; R208-L290 HydrophobicContact CB-CD2 4.27Å; R208-L290 HydrophobicContact CG-CD2 4.16Å; R208-A372 PolarHBondContact NH1-OXT 2.96Å; R208-A372 PolarHBondContact NH2-OXT 2.7Å
209	P	97.6	Very high	93.9	Very high	8 Å²	8	64.6 Å²	64.6	5%	0.052	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-63.5	122.3	176.4	26.5	-35.3	0	0	0	111.5	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 3.97Å; P209-T211 HydrophobicContact CG-CG2 4.31Å; P209-T211 PolarHBondContact O-N 2.93Å; P209-A229 HydrophobicContact CB-CB 3.88Å; P209-F232 HydrophobicContact CB-CB 3.9Å; P209-F232 HydrophobicContact CB-CD1 3.86Å; P209-F232 HydrophobicContact CB-CG 4.13Å; P209-I237 HydrophobicContact CB-CD1 3.91Å; P209-I237 HydrophobicContact CG-CD1 4.03Å; P209-V285 HydrophobicContact CG-CG1 4.01Å; P209-H287 HydrophobicContact CG-CB 4Å; P209-L290 HydrophobicContact CG-CD1 4Å; P209-L290 HydrophobicContact CG-CD2 4.33Å; P209-L290 HydrophobicContact CG-CG 4.27Å
210	K	97.6	Very high	93.7	Very high	126 Å²	126	71.6 Å²	71.6	55%	0.548	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	109.7	166	-61.6	167	-172.9	166.1	0	106.9	R208 L230	R208-K210 PolarHBondContact O-N 3.35Å; K210-L230 HydrophobicContact CB-CB 4.5Å; K210-L230 WeakPolarHBondContact CB-O 3.24Å; K210-L230 PolarHBondContact N-O 3.23Å; K210-L230 PolarHBondContact O-N 3.21Å
211	T	97.1	Very high	93.7	Very high	8 Å²	8	74.4 Å²	74.4	5%	0.049	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	143.7	-170.7	51.7	0	0	0	0	113	P209 W228 A229 V285 L296	P209-T211 HydrophobicContact CB-CG2 3.97Å; P209-T211 HydrophobicContact CG-CG2 4.31Å; P209-T211 PolarHBondContact O-N 2.93Å; T211-W228 VanDerWaalsContact CA-O 3.23Å; T211-W228 WeakPolarHBondContact CA-O 3.48Å; T211-A229 HydrophobicContact CG2-CB 4.13Å; T211-V285 HydrophobicContact CG2-CB 4.4Å; T211-V285 HydrophobicContact CG2-CG1 4.12Å; T211-V285 HydrophobicContact CG2-CG2 4.01Å; T211-L296 HydrophobicContact CG2-CD1 4.18Å
212	H	96.3	Very high	94	Very high	78 Å²	78	70.2 Å²	70.2	36%	0.361	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	164.5	174.7	65.8	-82.2	0	0	0	110.9	W228	H212-W228 AromaticContact CD2-CD1 3.94Å; H212-W228 AromaticContact CE1-CD1 3.92Å; H212-W228 AromaticContact CE1-CG 3.74Å; H212-W228 PolarHBondContact N-O 3.43Å; H212-W228 AromaticContact NE2-CD1 3.43Å; H212-W228 AromaticContact NE2-CG 3.72Å; H212-W228 PolarHBondContact O-N 3.4Å
213	V	97.9	Very high	94.3	Very high	22 Å²	22	68.3 Å²	68.3	13%	0.133	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	118	176.9	178.3	0	0	0	0	109.5	L225 R226 C227 W241 L296 W298	V213-L225 HydrophobicContact CG1-CB 4.37Å; V213-L225 HydrophobicContact CG1-CD2 4.34Å; V213-R226 CarbonylContact C-O 3.58Å; V213-R226 WeakPolarHBondContact CA-O 3.49Å; V213-C227 HydrophobicContact CG2-CB 4.26Å; V213-W241 HydrophobicContact CG1-CH2 3.81Å; V213-W241 HydrophobicContact CG1-CZ2 4.21Å; V213-W241 HydrophobicContact CG2-CH2 4.23Å; V213-L296 HydrophobicContact CG2-CB 3.97Å; V213-W298 HydrophobicContact CB-CB 4.45Å; V213-W298 HydrophobicContact CG1-CB 3.79Å
214	T	96.7	Very high	94.6	Very high	35 Å²	35	69.2 Å²	69.2	22%	0.215	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	153	170.3	61.1	0	0	0	0	110.8	H216 L225 R226 W228	T214-H216 PolarHBondContact OG1-NE2 3.33Å; T214-L225 WeakPolarHBondContact O-CA 3.44Å; T214-R226 PolarHBondContact N-O 3.16Å; T214-R226 PolarHBondContact O-N 2.67Å; T214-R226 PolarHBondContact OG1-O 2.78Å; T214-W228 PolarHBondContact OG1-NE1 3.45Å
215	H	95.9	Very high	95	Very high	52 Å²	52	64.8 Å²	64.8	24%	0.241	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	127.3	-179.3	164.6	-84	0	0	0	109.1	A223 T224 L225 W298	H215-A223 WeakPolarHBondContact NE2-CB 3.08Å; H215-T224 WeakPolarHBondContact CA-O 3.37Å; H215-L225 HydrophobicContact CB-CD2 3.89Å; H215-W298 HydrophobicContact CB-CD2 4.13Å; H215-W298 HydrophobicContact CB-CG 4.12Å; H215-W298 HydrophobicContact CB-CZ2 4.07Å; H215-W298 VanDerWaalsContact CB-NE1 3.27Å; H215-W298 AromaticContact CD2-CE2 3.97Å; H215-W298 AromaticContact CD2-CZ2 3.91Å; H215-W298 AromaticContact CG-CE2 3.72Å; H215-W298 AromaticContact CG-CZ2 3.74Å; H215-W298 AromaticContact CG-NE1 3.95Å; H215-W298 AromaticContact ND1-CZ2 3.94Å
216	H	94.9	Very high	95.3	Very high	80 Å²	80	63.2 Å²	63.2	37%	0.37	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	107.3	-176.7	-52.2	-77.9	0	0	0	109.1	T214 V218 A223 T224	T214-H216 PolarHBondContact OG1-NE2 3.33Å; H216-V218 PolarHBondContact O-N 3.33Å; H216-A223 CarbonylContact O-C 3.4Å; H216-A223 WeakPolarHBondContact O-CA 3.46Å; H216-T224 PolarHBondContact N-O 2.89Å; H216-T224 PolarHBondContact O-N 2.77Å
217	P	93.8	Very high	95.6	Very high	101 Å²	101	61 Å²	61	66%	0.656	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.3	135.9	172.4	-22.2	32.5	0	0	0	111
218	V	91.2	Very high	95.7	Very high	94 Å²	94	60.6 Å²	60.6	57%	0.57	31%	0.305	S	S	*	.			trans	-110.7	-38.7	176.2	-177	0	0	0	0	110.1	H216 E222 T224	H216-V218 PolarHBondContact O-N 3.33Å; V218-E222 PolarHBondContact N-O 3.47Å; V218-T224 WeakPolarHBondContact CG2-OG1 2.93Å
219	S	92	Very high	95.8	Very high	54 Å²	54	55.8 Å²	55.8	38%	0.378	29%	0.287	S	S	.	.	S	Bend	trans	-148.2	180	171.5	70.3	0	0	0	0	110.2	H221 E222	S219-H221 PolarHBondContact O-N 2.9Å; S219-H221 VanDerWaalsContact O-N 3.17Å; S219-H221 PolarHBondContact OG-N 3.28Å; S219-H221 VanDerWaalsContact OG-N 3.13Å; S219-E222 PolarHBondContact N-O 2.97Å; S219-E222 PolarHBondContact O-N 2.96Å; S219-E222 VanDerWaalsContact O-O 3.11Å; S219-E222 PolarHBondContact OG-N 2.71Å; S219-E222 VanDerWaalsContact OG-N 3.15Å
220	D	89.3	Confident	95.9	Very high	150 Å²	150	58.1 Å²	58.1	80%	0.802	30%	0.299	S	S	*	.	S	Bend	trans	-61.5	-19.1	170.4	-62.3	-35	0	0	0	112.6	S275	D220-S275 PolarHBondContact O-OG 3.43Å
221	H	92.9	Very high	95.9	Very high	145 Å²	145	52.9 Å²	52.9	67%	0.671	28%	0.28	S	S	*	.	S	Bend	trans	-105.3	-17.3	-174.3	-54.9	-31.5	0	0	0	114	S219 P274 S275	S219-H221 PolarHBondContact O-N 2.9Å; S219-H221 VanDerWaalsContact O-N 3.17Å; S219-H221 PolarHBondContact OG-N 3.28Å; S219-H221 VanDerWaalsContact OG-N 3.13Å; H221-P274 CarbonylContact O-C 3.45Å; H221-P274 WeakPolarHBondContact O-CA 3.32Å; H221-S275 WeakPolarHBondContact CA-OG 3.33Å; H221-S275 PolarHBondContact O-N 2.85Å; H221-S275 PolarHBondContact O-OG 2.99Å
222	E	95	Very high	95.9	Very high	94 Å²	94	52.5 Å²	52.5	44%	0.439	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	142.5	-170.6	-65.4	-178.4	161.3	0	0	112.9	V218 S219 V272 V273 S275	V218-E222 PolarHBondContact N-O 3.47Å; S219-E222 PolarHBondContact N-O 2.97Å; S219-E222 PolarHBondContact O-N 2.96Å; S219-E222 VanDerWaalsContact O-O 3.11Å; S219-E222 PolarHBondContact OG-N 2.71Å; S219-E222 VanDerWaalsContact OG-N 3.15Å; E222-V272 HydrophobicContact CB-CG1 4.05Å; E222-V272 HydrophobicContact CG-CG1 4.31Å; E222-V273 WeakPolarHBondContact CA-O 3.44Å; E222-S275 PolarHBondContact N-OG 2.78Å
223	A	95.9	Very high	95.8	Very high	2 Å²	2	49 Å²	49	2%	0.017	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	152.8	171.4	0	0	0	0	0	111.1	H215 H216 V273	H215-A223 WeakPolarHBondContact NE2-CB 3.08Å; H216-A223 CarbonylContact O-C 3.4Å; H216-A223 WeakPolarHBondContact O-CA 3.46Å; A223-V273 PolarHBondContact N-O 2.83Å; A223-V273 PolarHBondContact O-N 3.42Å
224	T	97.5	Very high	95.7	Very high	24 Å²	24	49 Å²	49	15%	0.147	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	120.9	168.1	-53.1	0	0	0	0	109.7	H215 H216 V218 A270 V271	H215-T224 WeakPolarHBondContact CA-O 3.37Å; H216-T224 PolarHBondContact N-O 2.89Å; H216-T224 PolarHBondContact O-N 2.77Å; V218-T224 WeakPolarHBondContact CG2-OG1 2.93Å; T224-A270 HydrophobicContact CG2-CB 3.88Å; T224-V271 WeakPolarHBondContact CA-O 3.45Å
225	L	97.9	Very high	95.7	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	126.8	162.1	-65.3	-174.9	0	0	0	108.9	V213 T214 H215 W241 A270 V271 V273 E278 W298	V213-L225 HydrophobicContact CG1-CB 4.37Å; V213-L225 HydrophobicContact CG1-CD2 4.34Å; T214-L225 WeakPolarHBondContact O-CA 3.44Å; H215-L225 HydrophobicContact CB-CD2 3.89Å; L225-W241 HydrophobicContact CB-CH2 3.68Å; L225-W241 HydrophobicContact CB-CZ2 3.75Å; L225-W241 HydrophobicContact CD1-CH2 3.88Å; L225-W241 HydrophobicContact CD1-CZ3 4.1Å; L225-W241 HydrophobicContact CG-CH2 4.43Å; L225-A270 CarbonylContact O-C 3.57Å; L225-A270 WeakPolarHBondContact O-CA 3.12Å; L225-V271 HydrophobicContact CB-CG2 4.2Å; L225-V271 PolarHBondContact N-O 2.93Å; L225-V271 PolarHBondContact O-N 3.21Å; L225-V273 HydrophobicContact CD1-CG1 4.01Å; L225-V273 HydrophobicContact CD1-CG2 4.15Å; L225-V273 HydrophobicContact CG-CG1 4.1Å; L225-V273 HydrophobicContact CG-CG2 3.9Å; L225-E278 HydrophobicContact CD1-CB 4.13Å; L225-E278 HydrophobicContact CD2-CB 4.48Å; L225-E278 HydrophobicContact CD2-CG 4.48Å; L225-W298 HydrophobicContact CD1-CB 4.38Å; L225-W298 HydrophobicContact CD2-CB 3.77Å; L225-W298 HydrophobicContact CD2-CD2 4.38Å; L225-W298 HydrophobicContact CD2-CG 3.95Å
226	R	98.3	Very high	95.7	Very high	46 Å²	46	51.6 Å²	51.6	17%	0.174	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	115	174.7	179.2	177.8	-70.6	105.2	2.8	110.1	V213 T214 W228 E253 W268 A269 A270	V213-R226 CarbonylContact C-O 3.58Å; V213-R226 WeakPolarHBondContact CA-O 3.49Å; T214-R226 PolarHBondContact N-O 3.16Å; T214-R226 PolarHBondContact O-N 2.67Å; T214-R226 PolarHBondContact OG1-O 2.78Å; R226-W228 VanDerWaalsContact CD-CZ2 3.49Å; R226-W228 HydrophobicContact CG-CZ2 4.41Å; R226-E253 IonicContact NH2-OE2 3.84Å; R226-E253 PolarHBondContact NH2-OE2 2.72Å; R226-W268 HydrophobicContact CG-CB 4.03Å; R226-W268 HydrophobicContact CG-CD2 4.03Å; R226-W268 HydrophobicContact CG-CE3 3.76Å; R226-W268 HydrophobicContact CG-CG 4.2Å; R226-W268 HydrophobicContact CG-CZ3 4.49Å; R226-A269 WeakPolarHBondContact CA-O 3.39Å; R226-A270 HydrophobicContact CB-CB 3.89Å; R226-A270 HydrophobicContact CG-CB 4.07Å
227	C	98.2	Very high	95.8	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	127	174.5	-174.1	0	0	0	0	109.5	V213 W241 W268 A269 C283	V213-C227 HydrophobicContact CG2-CB 4.26Å; C227-W241 HydrophobicContact CB-CH2 4.47Å; C227-W241 HydrophobicContact CB-CZ2 3.61Å; C227-W268 CarbonylContact O-C 3.51Å; C227-W268 WeakPolarHBondContact O-CA 3.38Å; C227-W268 WeakPolarHBondContact O-CB 3.44Å; C227-A269 PolarHBondContact N-O 3.05Å; C227-A269 PolarHBondContact O-N 3.05Å; C227-C283 HydrophobicContact CB-CB 3.48Å; C227-C283 VanDerWaalsContact CB-CB 3.48Å; C227-C283 WeakPolarHBondContact CB-SG 3.43Å; C227-C283 WeakPolarHBondContact SG-CB 3.26Å; C227-C283 CovalentContact SG-SG 2.02Å; C227-C283 PolarHBondContact SG-SG 2.87Å
228	W	98.3	Very high	96	Very high	53 Å²	53	45.5 Å²	45.5	20%	0.201	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	143.9	-179.8	-67.2	87.4	0	0	0	111.1	T211 H212 T214 R226 L230 W268	T211-W228 VanDerWaalsContact CA-O 3.23Å; T211-W228 WeakPolarHBondContact CA-O 3.48Å; H212-W228 AromaticContact CD2-CD1 3.94Å; H212-W228 AromaticContact CE1-CD1 3.92Å; H212-W228 AromaticContact CE1-CG 3.74Å; H212-W228 PolarHBondContact N-O 3.43Å; H212-W228 AromaticContact NE2-CD1 3.43Å; H212-W228 AromaticContact NE2-CG 3.72Å; H212-W228 PolarHBondContact O-N 3.4Å; T214-W228 PolarHBondContact OG1-NE1 3.45Å; R226-W228 VanDerWaalsContact CD-CZ2 3.49Å; R226-W228 HydrophobicContact CG-CZ2 4.41Å; W228-L230 HydrophobicContact CE3-CD2 3.96Å; W228-L230 HydrophobicContact CZ3-CD2 4.5Å; W228-W268 HydrophobicContact CD2-CB 3.94Å; W228-W268 HydrophobicContact CD2-CG 4.37Å; W228-W268 HydrophobicContact CE3-CB 3.87Å; W228-W268 AromaticContact CE3-CD1 3.71Å; W228-W268 HydrophobicContact CE3-CG 4.07Å; W228-W268 HydrophobicContact CG-CB 4.31Å; W228-W268 AromaticContact CH2-CD1 3.72Å; W228-W268 HydrophobicContact CH2-CG 4.34Å; W228-W268 HydrophobicContact CZ3-CB 4.38Å; W228-W268 AromaticContact CZ3-CD1 3.34Å; W228-W268 HydrophobicContact CZ3-CG 4.07Å
229	A	98.3	Very high	96.3	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	128	160.1	0	0	0	0	0	108.1	P209 T211 F232 I237 L239 Q266 K267	P209-A229 HydrophobicContact CB-CB 3.88Å; T211-A229 HydrophobicContact CG2-CB 4.13Å; A229-F232 HydrophobicContact CB-CD1 4.07Å; A229-F232 HydrophobicContact CB-CE1 3.77Å; A229-F232 WeakPolarHBondContact O-CE1 3.37Å; A229-I237 HydrophobicContact CB-CD1 3.71Å; A229-L239 HydrophobicContact CB-CD1 3.98Å; A229-L239 HydrophobicContact CB-CD2 4.33Å; A229-Q266 WeakPolarHBondContact O-CA 3.01Å; A229-K267 PolarHBondContact N-O 2.81Å; A229-K267 PolarHBondContact O-N 2.87Å
230	L	98.2	Very high	96.5	Very high	57 Å²	57	40.8 Å²	40.8	30%	0.298	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	145.4	-175.4	-59.8	176.1	0	0	0	110.6	K210 W228 Q266	K210-L230 HydrophobicContact CB-CB 4.5Å; K210-L230 WeakPolarHBondContact CB-O 3.24Å; K210-L230 PolarHBondContact N-O 3.23Å; K210-L230 PolarHBondContact O-N 3.21Å; W228-L230 HydrophobicContact CE3-CD2 3.96Å; W228-L230 HydrophobicContact CZ3-CD2 4.5Å; L230-Q266 HydrophobicContact CD2-CB 3.6Å
231	G	97.3	Very high	96.9	Very high	16 Å²	16	33.7 Å²	33.7	17%	0.165	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	68.9	43.2	169.6	0	0	0	0	0	113.6	F265	G231-F265 PolarHBondContact N-O 3.37Å
232	F	97.3	Very high	97.2	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	157.4	177.3	59	-90.1	0	0	0	112.6	E207 P209 A229 P234 I237 T257 T264 F265 K267 H287	E207-F232 VanDerWaalsContact O-CA 3.22Å; E207-F232 WeakPolarHBondContact O-CA 3.3Å; E207-F232 VanDerWaalsContact O-CB 3.27Å; E207-F232 WeakPolarHBondContact O-CB 3.41Å; P209-F232 HydrophobicContact CB-CB 3.9Å; P209-F232 HydrophobicContact CB-CD1 3.86Å; P209-F232 HydrophobicContact CB-CG 4.13Å; A229-F232 HydrophobicContact CB-CD1 4.07Å; A229-F232 HydrophobicContact CB-CE1 3.77Å; A229-F232 WeakPolarHBondContact O-CE1 3.37Å; F232-P234 WeakPolarHBondContact CD2-O 3.37Å; F232-I237 HydrophobicContact CD1-CD1 3.89Å; F232-I237 HydrophobicContact CD2-CB 4.34Å; F232-I237 HydrophobicContact CD2-CD1 3.97Å; F232-I237 HydrophobicContact CE1-CD1 3.82Å; F232-I237 HydrophobicContact CE1-CG2 4.43Å; F232-I237 HydrophobicContact CE2-CB 3.82Å; F232-I237 HydrophobicContact CE2-CD1 3.92Å; F232-I237 HydrophobicContact CE2-CG1 4.47Å; F232-I237 HydrophobicContact CE2-CG2 3.57Å; F232-I237 HydrophobicContact CG-CD1 3.98Å; F232-I237 HydrophobicContact CZ-CB 4.19Å; F232-I237 HydrophobicContact CZ-CD1 3.87Å; F232-I237 HydrophobicContact CZ-CG2 3.54Å; F232-T257 HydrophobicContact CE2-CG2 3.97Å; F232-T257 HydrophobicContact CZ-CG2 3.77Å; F232-T264 CarbonylContact O-C 3.5Å; F232-T264 WeakPolarHBondContact O-CA 3.23Å; F232-F265 WeakPolarHBondContact CD1-O 3.43Å; F232-F265 HydrophobicContact CD2-CB 3.93Å; F232-F265 HydrophobicContact CE1-CB 4.38Å; F232-F265 WeakPolarHBondContact CE1-O 3.49Å; F232-F265 HydrophobicContact CE2-CB 3.49Å; F232-F265 VanDerWaalsContact CE2-CB 3.49Å; F232-F265 HydrophobicContact CZ-CB 3.73Å; F232-F265 PolarHBondContact N-O 2.98Å; F232-F265 PolarHBondContact O-N 2.82Å; F232-K267 HydrophobicContact CE1-CB 4.47Å; F232-K267 HydrophobicContact CZ-CB 4.14Å; F232-H287 AromaticContact CD2-CD2 3.95Å; F232-H287 AromaticContact CD2-NE2 3.85Å
233	Y	96.1	Very high	97.3	Very high	4 Å²	4	27.8 Å²	27.8	2%	0.016	14%	0.14	C	C	.	.	B	Isolated β-bridge	trans	-153.7	137.9	174.6	178.5	-81.5	0	0	0	107.6	D54 T55 R205 A206 E207 G263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 3.94Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.43Å; T55-Y233 PolarHBondContact OG1-OH 2.97Å; R205-Y233 HydrophobicContact CG-CD1 4.42Å; R205-Y233 WeakPolarHBondContact O-CD1 3.42Å; A206-Y233 CarbonylContact C-O 3.53Å; A206-Y233 WeakPolarHBondContact CA-O 3.49Å; E207-Y233 PolarHBondContact N-O 3.43Å; E207-Y233 PolarHBondContact O-N 2.78Å; Y233-G263 WeakPolarHBondContact CD2-O 3.29Å; Y233-F265 HydrophobicContact CD2-CD2 4.43Å; Y233-F265 HydrophobicContact CD2-CE2 4.04Å; Y233-F265 HydrophobicContact CE2-CE2 4.49Å; Y233-H287 PolarHBondContact O-CE1 3.19Å
234	P	95.6	Very high	97.2	Very high	21 Å²	21	32.3 Å²	32.3	14%	0.136	16%	0.164	C	C	.	.	S	Bend	cis	-67.7	178	-0.6	29.4	-37.1	0	0	0	113.1	D54 F232 H287 E288	D54-P234 WeakPolarHBondContact OD2-CB 3.48Å; F232-P234 WeakPolarHBondContact CD2-O 3.37Å; P234-H287 PolarHBondContact O-NE2 3.48Å; P234-H287 VanDerWaalsContact O-NE2 3.09Å; P234-E288 VanDerWaalsContact CD-CD 3.41Å; P234-E288 WeakPolarHBondContact CD-OE1 3.45Å; P234-E288 HydrophobicContact CG-CG 3.84Å
235	A	96.8	Very high	97	Very high	12 Å²	12	33.4 Å²	33.4	10%	0.099	18%	0.181	C	C	.	.	S	Bend	trans	-76.6	-25	-170.6	0	0	0	0	0	114.7	D54 T257 F265	D54-A235 HydrophobicContact CB-CB 4.18Å; D54-A235 WeakPolarHBondContact OD1-CB 3.38Å; D54-A235 VanDerWaalsContact OD2-CB 3.28Å; D54-A235 WeakPolarHBondContact OD2-CB 3.4Å; D54-A235 PolarHBondContact OD2-N 3.29Å; A235-T257 WeakPolarHBondContact O-CG2 3.37Å; A235-F265 HydrophobicContact CB-CD1 3.63Å; A235-F265 HydrophobicContact CB-CD2 3.64Å; A235-F265 HydrophobicContact CB-CE1 3.65Å; A235-F265 HydrophobicContact CB-CE2 3.67Å; A235-F265 HydrophobicContact CB-CG 3.64Å; A235-F265 HydrophobicContact CB-CZ 3.68Å
236	E	95.8	Very high	96.8	Very high	130 Å²	130	39.4 Å²	39.4	61%	0.607	21%	0.208	S	C	*	.			trans	-74.4	135.6	178.2	-150.6	175.9	129.8	0	0	111	W23 H287	W23-E236 HydrophobicContact CH2-CB 3.69Å; W23-E236 HydrophobicContact CH2-CG 3.65Å; W23-E236 HydrophobicContact CZ2-CB 4.46Å; W23-E236 HydrophobicContact CZ2-CG 4.18Å; W23-E236 WeakPolarHBondContact CZ2-OE1 3.44Å; W23-E236 HydrophobicContact CZ3-CB 3.93Å; W23-E236 HydrophobicContact CZ3-CG 4.4Å; W23-E236 WeakPolarHBondContact CZ3-O 3.46Å; E236-H287 PolarHBondContact O-CD2 3.01Å
237	I	96.4	Very high	96.7	Very high	8 Å²	8	41.4 Å²	41.4	4%	0.041	22%	0.223	C	C	.	.			trans	-161.4	136.5	-174	-167.6	170.1	0	0	0	108.7	P209 A229 F232 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 3.91Å; P209-I237 HydrophobicContact CG-CD1 4.03Å; A229-I237 HydrophobicContact CB-CD1 3.71Å; F232-I237 HydrophobicContact CD1-CD1 3.89Å; F232-I237 HydrophobicContact CD2-CB 4.34Å; F232-I237 HydrophobicContact CD2-CD1 3.97Å; F232-I237 HydrophobicContact CE1-CD1 3.82Å; F232-I237 HydrophobicContact CE1-CG2 4.43Å; F232-I237 HydrophobicContact CE2-CB 3.82Å; F232-I237 HydrophobicContact CE2-CD1 3.92Å; F232-I237 HydrophobicContact CE2-CG1 4.47Å; F232-I237 HydrophobicContact CE2-CG2 3.57Å; F232-I237 HydrophobicContact CG-CD1 3.98Å; F232-I237 HydrophobicContact CZ-CB 4.19Å; F232-I237 HydrophobicContact CZ-CD1 3.87Å; F232-I237 HydrophobicContact CZ-CG2 3.54Å; I237-L239 HydrophobicContact CD1-CD1 3.83Å; I237-L239 HydrophobicContact CG1-CD1 3.75Å; I237-L239 HydrophobicContact CG2-CD1 4.18Å; I237-K267 HydrophobicContact CG2-CB 4.16Å; I237-K267 HydrophobicContact CG2-CD 3.51Å; I237-K267 HydrophobicContact CG2-CG 4.49Å; I237-V285 HydrophobicContact CD1-CG1 3.94Å; I237-V285 HydrophobicContact CG1-CG1 4.23Å; I237-Q286 WeakPolarHBondContact CG1-O 3.33Å; I237-H287 HydrophobicContact CD1-CB 4.2Å; I237-H287 HydrophobicContact CG1-CB 4.04Å
238	T	97	Very high	96.5	Very high	46 Å²	46	42 Å²	42	28%	0.282	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	120	176.8	-63	0	0	0	0	109.6	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 4.07Å; T238-V285 WeakPolarHBondContact O-CA 3.42Å; T238-Q286 PolarHBondContact N-O 3.2Å; T238-Q286 PolarHBondContact O-N 3.06Å
239	L	97.5	Very high	96.1	Very high	7 Å²	7	44.5 Å²	44.5	4%	0.037	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	118.6	172.4	-94.4	66.7	0	0	0	108.3	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 3.98Å; A229-L239 HydrophobicContact CB-CD2 4.33Å; I237-L239 HydrophobicContact CD1-CD1 3.83Å; I237-L239 HydrophobicContact CG1-CD1 3.75Å; I237-L239 HydrophobicContact CG2-CD1 4.18Å; L239-L254 HydrophobicContact CB-CD1 4.03Å; L239-K267 HydrophobicContact CD1-CD 4.32Å; L239-K267 HydrophobicContact CD2-CB 4.4Å; L239-K267 HydrophobicContact CD2-CG 4.45Å; L239-A269 HydrophobicContact CB-CB 4.07Å; L239-A269 HydrophobicContact CD2-CB 4.23Å; L239-H284 WeakPolarHBondContact CA-O 3.42Å; L239-V285 HydrophobicContact CD1-CG1 4.03Å; L239-V285 HydrophobicContact CD1-CG2 4.14Å; L239-V285 HydrophobicContact CG-CG2 4.09Å
240	T	97.2	Very high	95.6	Very high	41 Å²	41	53.8 Å²	53.8	25%	0.252	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	151.6	173.1	61.2	0	0	0	0	111.5	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 4.07Å; T240-C283 CarbonylContact O-C 3.56Å; T240-C283 WeakPolarHBondContact O-CA 3.44Å; T240-H284 PolarHBondContact N-O 3.35Å; T240-H284 PolarHBondContact O-N 3.22Å
241	W	98.1	Very high	95.1	Very high	1 Å²	1	56.6 Å²	56.6	0%	0.004	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	136	167.4	-83.5	104.3	0	0	0	109.9	V213 L225 C227 Q248 A269 V271 T282 C283	V213-W241 HydrophobicContact CG1-CH2 3.81Å; V213-W241 HydrophobicContact CG1-CZ2 4.21Å; V213-W241 HydrophobicContact CG2-CH2 4.23Å; L225-W241 HydrophobicContact CB-CH2 3.68Å; L225-W241 HydrophobicContact CB-CZ2 3.75Å; L225-W241 HydrophobicContact CD1-CH2 3.88Å; L225-W241 HydrophobicContact CD1-CZ3 4.1Å; L225-W241 HydrophobicContact CG-CH2 4.43Å; C227-W241 HydrophobicContact CB-CH2 4.47Å; C227-W241 HydrophobicContact CB-CZ2 3.61Å; W241-Q248 HydrophobicContact CB-CB 4.38Å; W241-Q248 PolarHBondContact O-N 3.37Å; W241-A269 PolarHBondContact NE1-O 3.3Å; W241-V271 HydrophobicContact CB-CG1 3.72Å; W241-V271 HydrophobicContact CB-CG2 4.4Å; W241-V271 HydrophobicContact CD2-CG1 4.42Å; W241-V271 HydrophobicContact CD2-CG2 3.63Å; W241-V271 HydrophobicContact CE3-CG2 4.06Å; W241-V271 HydrophobicContact CG-CB 4.41Å; W241-V271 HydrophobicContact CG-CG1 3.68Å; W241-V271 HydrophobicContact CG-CG2 3.81Å; W241-V271 HydrophobicContact CZ2-CG2 4.28Å; W241-T282 CarbonylContact C-O 3.4Å; W241-T282 WeakPolarHBondContact CA-O 3.44Å; W241-C283 HydrophobicContact CD2-CB 4.04Å; W241-C283 HydrophobicContact CE3-CB 4Å; W241-C283 HydrophobicContact CH2-CB 4Å; W241-C283 HydrophobicContact CZ2-CB 4.04Å; W241-C283 HydrophobicContact CZ3-CB 3.97Å
242	Q	97.7	Very high	95	Very high	41 Å²	41	57 Å²	57	19%	0.192	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	148.5	170.6	-71.9	-175.5	-5.8	0	0	110.6	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.59Å; Q242-E246 WeakPolarHBondContact CA-O 3.33Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.27Å; Q242-D247 PolarHBondContact NE2-OD1 2.66Å; Q242-Y281 CarbonylContact O-C 3.54Å; Q242-Y281 VanDerWaalsContact O-CA 3.25Å; Q242-Y281 WeakPolarHBondContact O-CA 3.22Å; Q242-T282 PolarHBondContact N-O 2.96Å; Q242-T282 PolarHBondContact O-N 3.2Å; Q242-H284 PolarHBondContact OE1-NE2 2.93Å
243	R	97.3	Very high	95	Very high	74 Å²	74	62.3 Å²	62.3	28%	0.279	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	116.1	168.2	-178.3	-174.8	64.5	-143.4	-8.9	108.2	G245 E246 Q248 R280 Y281	R243-G245 PolarHBondContact O-N 3.34Å; R243-E246 PolarHBondContact N-O 3.27Å; R243-E246 IonicContact NH2-OE2 3.44Å; R243-E246 PolarHBondContact O-N 2.85Å; R243-Q248 HydrophobicContact CB-CG 3.91Å; R243-R280 WeakPolarHBondContact CA-O 3.41Å; R243-R280 HydrophobicContact CG-CB 4.27Å; R243-Y281 HydrophobicContact CB-CD1 4.11Å; R243-Y281 HydrophobicContact CB-CE1 3.96Å; R243-Y281 HydrophobicContact CG-CD2 4.4Å; R243-Y281 HydrophobicContact CG-CE1 4.23Å; R243-Y281 HydrophobicContact CG-CE2 4.06Å
244	D	95.3	Very high	95	Very high	98 Å²	98	66.3 Å²	66.3	52%	0.524	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.1	17.4	-174.5	-50.1	-59.5	0	0	0	115.3	R280	D244-R280 PolarHBondContact N-O 3.41Å; D244-R280 WeakPolarHBondContact OD1-CB 3.43Å; D244-R280 IonicContact OD1-NE 3.43Å; D244-R280 PolarHBondContact OD1-NE 3.32Å; D244-R280 IonicContact OD2-CZ 3.1Å; D244-R280 IonicContact OD2-NE 2.78Å; D244-R280 PolarHBondContact OD2-NE 2.93Å; D244-R280 IonicContact OD2-NH2 2.65Å; D244-R280 PolarHBondContact OD2-NH2 2.67Å
245	G	91.6	Very high	95.1	Very high	47 Å²	47	66.9 Å²	66.9	49%	0.485	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	105.8	-4.4	-176.1	0	0	0	0	0	115.5	R243	R243-G245 PolarHBondContact O-N 3.34Å
246	E	95.6	Very high	95.1	Very high	125 Å²	125	74.6 Å²	74.6	58%	0.584	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.5	124.8	175.1	-61	-177.1	153.1	0	0	111.1	Q242 R243 Q248	Q242-E246 CarbonylContact C-O 3.59Å; Q242-E246 WeakPolarHBondContact CA-O 3.33Å; R243-E246 PolarHBondContact N-O 3.27Å; R243-E246 IonicContact NH2-OE2 3.44Å; R243-E246 PolarHBondContact O-N 2.85Å; E246-Q248 PolarHBondContact O-NE2 2.89Å
247	D	95.3	Very high	95.2	Very high	89 Å²	89	70.5 Å²	70.5	48%	0.476	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	135.5	177.5	-65.9	-47	0	0	0	112	Q242	Q242-D247 WeakPolarHBondContact CG-OD1 3.27Å; Q242-D247 PolarHBondContact NE2-OD1 2.66Å
248	Q	95.1	Very high	95.3	Very high	11 Å²	11	74.8 Å²	74.8	5%	0.051	39%	0.387	C	S	.	.			trans	-105.8	33	-175.4	-54.7	-63.5	-94.1	0	0	112	W241 R243 E246 Q250 D251 T252 V271 Y281	W241-Q248 HydrophobicContact CB-CB 4.38Å; W241-Q248 PolarHBondContact O-N 3.37Å; R243-Q248 HydrophobicContact CB-CG 3.91Å; E246-Q248 PolarHBondContact O-NE2 2.89Å; Q248-Q250 VanDerWaalsContact C-N 3.28Å; Q248-Q250 PolarHBondContact O-N 2.96Å; Q248-Q250 VanDerWaalsContact O-N 3.14Å; Q248-D251 CarbonylContact O-C 3.6Å; Q248-D251 PolarHBondContact O-N 2.9Å; Q248-T252 PolarHBondContact O-N 2.82Å; Q248-T252 VanDerWaalsContact O-N 3.15Å; Q248-T252 PolarHBondContact O-OG1 3.33Å; Q248-V271 HydrophobicContact CB-CG1 4.45Å; Q248-Y281 HydrophobicContact CG-CE1 4.28Å
249	T	89	Confident	95.3	Very high	106 Å²	106	76.7 Å²	76.7	65%	0.65	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-30.5	-166.1	-46.1	0	0	0	0	114.7
250	Q	88.6	Confident	95.2	Very high	196 Å²	196	78.9 Å²	78.9	92%	0.916	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-29.5	177.9	-64.5	-174.1	3.6	0	0	112.9	Q248	Q248-Q250 VanDerWaalsContact C-N 3.28Å; Q248-Q250 PolarHBondContact O-N 2.96Å; Q248-Q250 VanDerWaalsContact O-N 3.14Å
251	D	87.1	Confident	95.1	Very high	116 Å²	116	80.5 Å²	80.5	62%	0.62	44%	0.444	S	S	*	.	S	Bend	trans	-93.9	5.7	-179.6	-53.4	-60.8	0	0	0	112.5	Q248	Q248-D251 CarbonylContact O-C 3.6Å; Q248-D251 PolarHBondContact O-N 2.9Å
252	T	94.9	Very high	94.8	Very high	24 Å²	24	86 Å²	86	15%	0.147	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	117.3	-176.7	-60.9	0	0	0	0	111.8	Q248 L254 A269 A270 V271	Q248-T252 PolarHBondContact O-N 2.82Å; Q248-T252 VanDerWaalsContact O-N 3.15Å; Q248-T252 PolarHBondContact O-OG1 3.33Å; T252-L254 HydrophobicContact CG2-CB 4.33Å; T252-L254 PolarHBondContact O-N 2.74Å; T252-L254 VanDerWaalsContact O-N 3.15Å; T252-A269 HydrophobicContact CG2-CB 3.93Å; T252-A270 CarbonylContact C-O 3.55Å; T252-A270 WeakPolarHBondContact CA-O 3.42Å; T252-V271 HydrophobicContact CG2-CG1 4.38Å; T252-V271 VanDerWaalsContact OG1-CG1 3.31Å; T252-V271 WeakPolarHBondContact OG1-CG1 2.98Å
253	E	96.9	Very high	94.6	Very high	111 Å²	111	86 Å²	86	52%	0.519	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	97.8	163.5	-176	-171.9	-153.4	0	0	109	R226 W268 A269 A270	R226-E253 IonicContact NH2-OE2 3.84Å; R226-E253 PolarHBondContact NH2-OE2 2.72Å; E253-W268 HydrophobicContact CB-CZ3 4.32Å; E253-W268 HydrophobicContact CG-CH2 3.96Å; E253-W268 HydrophobicContact CG-CZ3 3.77Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.44Å; E253-W268 WeakPolarHBondContact OE2-CZ3 3.02Å; E253-A269 CarbonylContact O-C 3.59Å; E253-A269 WeakPolarHBondContact O-CA 3.21Å; E253-A270 HydrophobicContact CB-CB 4.33Å; E253-A270 PolarHBondContact N-O 2.94Å; E253-A270 PolarHBondContact O-N 3.31Å
254	L	96.9	Very high	94.5	Very high	89 Å²	89	82.9 Å²	82.9	47%	0.466	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	120.4	177.1	-175.8	69.5	0	0	0	110.2	L239 T252 A269	L239-L254 HydrophobicContact CB-CD1 4.03Å; T252-L254 HydrophobicContact CG2-CB 4.33Å; T252-L254 PolarHBondContact O-N 2.74Å; T252-L254 VanDerWaalsContact O-N 3.15Å; L254-A269 HydrophobicContact CD1-CB 3.7Å
255	V	97	Very high	94.7	Very high	33 Å²	33	79.5 Å²	79.5	20%	0.2	45%	0.454	C	S	.	.	P	Polyproline II helix	trans	-84.4	152.6	174.4	-63.7	0	0	0	0	112.4	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.45Å; V255-K267 WeakPolarHBondContact O-CE 3.12Å; V255-K267 WeakPolarHBondContact O-CG 3.41Å; V255-K267 PolarHBondContact O-NZ 3.29Å; V255-W268 HydrophobicContact CG1-CD2 4.06Å; V255-W268 HydrophobicContact CG1-CE3 4.34Å; V255-W268 HydrophobicContact CG1-CH2 3.77Å; V255-W268 HydrophobicContact CG1-CZ2 3.42Å; V255-W268 VanDerWaalsContact CG1-CZ2 3.42Å; V255-W268 HydrophobicContact CG1-CZ3 4.2Å; V255-W268 HydrophobicContact CG2-CD2 3.87Å; V255-W268 HydrophobicContact CG2-CG 3.82Å; V255-W268 WeakPolarHBondContact CG2-O 3.28Å; V255-W268 PolarHBondContact N-O 2.74Å
256	E	96.9	Very high	95	Very high	174 Å²	174	79.2 Å²	79.2	81%	0.813	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-57.5	151.2	165.6	-68.2	-166.4	171.1	0	0	111.2
257	T	98	Very high	95.1	Very high	44 Å²	44	74.3 Å²	74.3	27%	0.27	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-73	131.6	176.9	-51.7	0	0	0	0	108.9	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 3.97Å; F232-T257 HydrophobicContact CZ-CG2 3.77Å; A235-T257 WeakPolarHBondContact O-CG2 3.37Å; T257-F265 HydrophobicContact CG2-CB 3.84Å; T257-F265 HydrophobicContact CG2-CD1 4.1Å; T257-F265 HydrophobicContact CG2-CG 4.3Å; T257-K267 HydrophobicContact CG2-CB 4.49Å; T257-K267 WeakPolarHBondContact OG1-CD 3.36Å; T257-K267 PolarHBondContact OG1-NZ 2.89Å
258	R	97.6	Very high	95.3	Very high	98 Å²	98	71.2 Å²	71.2	37%	0.37	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	146.9	-175.3	69.3	-162.2	-176.5	-169.9	3.6	110.6	Q266	R258-Q266 HydrophobicContact CG-CG 3.67Å; R258-Q266 VanDerWaalsContact CZ-OE1 3.31Å; R258-Q266 PolarHBondContact N-O 3.48Å; R258-Q266 VanDerWaalsContact NE-CD 3.28Å; R258-Q266 VanDerWaalsContact O-CG 3.26Å; R258-Q266 WeakPolarHBondContact O-CG 3.24Å; R258-Q266 PolarHBondContact O-N 3.21Å
259	P	97.4	Very high	95.4	Very high	86 Å²	86	70.7 Å²	70.7	56%	0.558	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.1	152.5	176.3	27.7	-34.7	0	0	0	111.4	F265 Q266	P259-F265 HydrophobicContact CB-CD1 4.37Å; P259-F265 HydrophobicContact CB-CE1 4.12Å; P259-Q266 PolarHBondContact O-NE2 3.39Å; P259-Q266 VanDerWaalsContact O-NE2 3.14Å
260	A	96.8	Very high	95.9	Very high	52 Å²	52	65.8 Å²	65.8	43%	0.43	37%	0.367	S	S	.	.			trans	-88.7	-25.2	167.7	0	0	0	0	0	112.2	D262 T264 Q266	A260-D262 WeakPolarHBondContact CB-OD1 3.41Å; A260-T264 PolarHBondContact N-O 3.07Å; A260-Q266 HydrophobicContact CB-CG 4.46Å
261	G	93.6	Very high	96.3	Very high	75 Å²	75	56.6 Å²	56.6	77%	0.773	32%	0.324	S	S	*	.	S	Bend	trans	103.1	-7.3	177.5	0	0	0	0	0	114.8
262	D	92.9	Very high	96.8	Very high	117 Å²	117	54.8 Å²	54.8	63%	0.626	32%	0.317	S	S	*	.	S	Bend	trans	-97	3.1	174.1	56	8.2	0	0	0	113.4	A260 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.41Å; D262-T264 WeakPolarHBondContact OD1-CA 3.2Å; D262-T264 WeakPolarHBondContact OD1-CB 3.34Å; D262-T264 PolarHBondContact OD1-N 3.07Å; D262-T264 PolarHBondContact OD1-OG1 2.75Å; D262-T264 PolarHBondContact OD2-OG1 3.05Å
263	G	92.1	Very high	96.9	Very high	41 Å²	41	53.6 Å²	53.6	42%	0.423	31%	0.31	S	S	.	.	S	Bend	trans	100.5	-11	-171.5	0	0	0	0	0	113.8	Y233	Y233-G263 WeakPolarHBondContact CD2-O 3.29Å
264	T	96.8	Very high	96.8	Very high	8 Å²	8	50.5 Å²	50.5	5%	0.049	30%	0.299	C	S	.	.			trans	-97.5	172.6	176.3	75.9	0	0	0	0	112.6	F232 A260 D262	F232-T264 CarbonylContact O-C 3.5Å; F232-T264 WeakPolarHBondContact O-CA 3.23Å; A260-T264 PolarHBondContact N-O 3.07Å; D262-T264 WeakPolarHBondContact OD1-CA 3.2Å; D262-T264 WeakPolarHBondContact OD1-CB 3.34Å; D262-T264 PolarHBondContact OD1-N 3.07Å; D262-T264 PolarHBondContact OD1-OG1 2.75Å; D262-T264 PolarHBondContact OD2-OG1 3.05Å
265	F	98.3	Very high	96.6	Very high	27 Å²	27	48.9 Å²	48.9	12%	0.118	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	163.9	-176	-66.5	-87	0	0	0	112.7	D54 G231 F232 Y233 A235 T257 P259	D54-F265 HydrophobicContact CB-CE2 3.78Å; D54-F265 HydrophobicContact CB-CZ 3.79Å; G231-F265 PolarHBondContact N-O 3.37Å; F232-F265 WeakPolarHBondContact CD1-O 3.43Å; F232-F265 HydrophobicContact CD2-CB 3.93Å; F232-F265 HydrophobicContact CE1-CB 4.38Å; F232-F265 WeakPolarHBondContact CE1-O 3.49Å; F232-F265 HydrophobicContact CE2-CB 3.49Å; F232-F265 VanDerWaalsContact CE2-CB 3.49Å; F232-F265 HydrophobicContact CZ-CB 3.73Å; F232-F265 PolarHBondContact N-O 2.98Å; F232-F265 PolarHBondContact O-N 2.82Å; Y233-F265 HydrophobicContact CD2-CD2 4.43Å; Y233-F265 HydrophobicContact CD2-CE2 4.04Å; Y233-F265 HydrophobicContact CE2-CE2 4.49Å; A235-F265 HydrophobicContact CB-CD1 3.63Å; A235-F265 HydrophobicContact CB-CD2 3.64Å; A235-F265 HydrophobicContact CB-CE1 3.65Å; A235-F265 HydrophobicContact CB-CE2 3.67Å; A235-F265 HydrophobicContact CB-CG 3.64Å; A235-F265 HydrophobicContact CB-CZ 3.68Å; T257-F265 HydrophobicContact CG2-CB 3.84Å; T257-F265 HydrophobicContact CG2-CD1 4.1Å; T257-F265 HydrophobicContact CG2-CG 4.3Å; P259-F265 HydrophobicContact CB-CD1 4.37Å; P259-F265 HydrophobicContact CB-CE1 4.12Å
266	Q	98.3	Very high	96.3	Very high	41 Å²	41	50.5 Å²	50.5	19%	0.192	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	142.6	179.2	38.5	160.6	-27	0	0	110.3	A229 L230 R258 P259 A260	A229-Q266 WeakPolarHBondContact O-CA 3.01Å; L230-Q266 HydrophobicContact CD2-CB 3.6Å; R258-Q266 HydrophobicContact CG-CG 3.67Å; R258-Q266 VanDerWaalsContact CZ-OE1 3.31Å; R258-Q266 PolarHBondContact N-O 3.48Å; R258-Q266 VanDerWaalsContact NE-CD 3.28Å; R258-Q266 VanDerWaalsContact O-CG 3.26Å; R258-Q266 WeakPolarHBondContact O-CG 3.24Å; R258-Q266 PolarHBondContact O-N 3.21Å; P259-Q266 PolarHBondContact O-NE2 3.39Å; P259-Q266 VanDerWaalsContact O-NE2 3.14Å; A260-Q266 HydrophobicContact CB-CG 4.46Å
267	K	98.5	Very high	96.3	Very high	23 Å²	23	45.3 Å²	45.3	10%	0.1	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	157	177.7	-160.9	-176.5	-168.2	64.4	0	109.3	A229 F232 I237 L239 V255 T257	A229-K267 PolarHBondContact N-O 2.81Å; A229-K267 PolarHBondContact O-N 2.87Å; F232-K267 HydrophobicContact CE1-CB 4.47Å; F232-K267 HydrophobicContact CZ-CB 4.14Å; I237-K267 HydrophobicContact CG2-CB 4.16Å; I237-K267 HydrophobicContact CG2-CD 3.51Å; I237-K267 HydrophobicContact CG2-CG 4.49Å; L239-K267 HydrophobicContact CD1-CD 4.32Å; L239-K267 HydrophobicContact CD2-CB 4.4Å; L239-K267 HydrophobicContact CD2-CG 4.45Å; V255-K267 HydrophobicContact CG2-CG 4.45Å; V255-K267 WeakPolarHBondContact O-CE 3.12Å; V255-K267 WeakPolarHBondContact O-CG 3.41Å; V255-K267 PolarHBondContact O-NZ 3.29Å; T257-K267 HydrophobicContact CG2-CB 4.49Å; T257-K267 WeakPolarHBondContact OG1-CD 3.36Å; T257-K267 PolarHBondContact OG1-NZ 2.89Å
268	W	98.3	Very high	96.1	Very high	24 Å²	24	44.2 Å²	44.2	9%	0.091	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	157.9	168.5	57.1	-96.2	0	0	0	111.9	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 4.03Å; R226-W268 HydrophobicContact CG-CD2 4.03Å; R226-W268 HydrophobicContact CG-CE3 3.76Å; R226-W268 HydrophobicContact CG-CG 4.2Å; R226-W268 HydrophobicContact CG-CZ3 4.49Å; C227-W268 CarbonylContact O-C 3.51Å; C227-W268 WeakPolarHBondContact O-CA 3.38Å; C227-W268 WeakPolarHBondContact O-CB 3.44Å; W228-W268 HydrophobicContact CD2-CB 3.94Å; W228-W268 HydrophobicContact CD2-CG 4.37Å; W228-W268 HydrophobicContact CE3-CB 3.87Å; W228-W268 AromaticContact CE3-CD1 3.71Å; W228-W268 HydrophobicContact CE3-CG 4.07Å; W228-W268 HydrophobicContact CG-CB 4.31Å; W228-W268 AromaticContact CH2-CD1 3.72Å; W228-W268 HydrophobicContact CH2-CG 4.34Å; W228-W268 HydrophobicContact CZ3-CB 4.38Å; W228-W268 AromaticContact CZ3-CD1 3.34Å; W228-W268 HydrophobicContact CZ3-CG 4.07Å; E253-W268 HydrophobicContact CB-CZ3 4.32Å; E253-W268 HydrophobicContact CG-CH2 3.96Å; E253-W268 HydrophobicContact CG-CZ3 3.77Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.44Å; E253-W268 WeakPolarHBondContact OE2-CZ3 3.02Å; V255-W268 HydrophobicContact CG1-CD2 4.06Å; V255-W268 HydrophobicContact CG1-CE3 4.34Å; V255-W268 HydrophobicContact CG1-CH2 3.77Å; V255-W268 HydrophobicContact CG1-CZ2 3.42Å; V255-W268 VanDerWaalsContact CG1-CZ2 3.42Å; V255-W268 HydrophobicContact CG1-CZ3 4.2Å; V255-W268 HydrophobicContact CG2-CD2 3.87Å; V255-W268 HydrophobicContact CG2-CG 3.82Å; V255-W268 WeakPolarHBondContact CG2-O 3.28Å; V255-W268 PolarHBondContact N-O 2.74Å; W268-A270 HydrophobicContact CE3-CB 4Å; W268-A270 HydrophobicContact CZ3-CB 3.73Å
269	A	98.3	Very high	96	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	131.5	174.6	0	0	0	0	0	108.5	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.39Å; C227-A269 PolarHBondContact N-O 3.05Å; C227-A269 PolarHBondContact O-N 3.05Å; L239-A269 HydrophobicContact CB-CB 4.07Å; L239-A269 HydrophobicContact CD2-CB 4.23Å; W241-A269 PolarHBondContact NE1-O 3.3Å; T252-A269 HydrophobicContact CG2-CB 3.93Å; E253-A269 CarbonylContact O-C 3.59Å; E253-A269 WeakPolarHBondContact O-CA 3.21Å; L254-A269 HydrophobicContact CD1-CB 3.7Å
270	A	98	Very high	95.9	Very high	2 Å²	2	44.6 Å²	44.6	2%	0.017	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	145.7	179.3	0	0	0	0	0	112.6	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.88Å; L225-A270 CarbonylContact O-C 3.57Å; L225-A270 WeakPolarHBondContact O-CA 3.12Å; R226-A270 HydrophobicContact CB-CB 3.89Å; R226-A270 HydrophobicContact CG-CB 4.07Å; T252-A270 CarbonylContact C-O 3.55Å; T252-A270 WeakPolarHBondContact CA-O 3.42Å; E253-A270 HydrophobicContact CB-CB 4.33Å; E253-A270 PolarHBondContact N-O 2.94Å; E253-A270 PolarHBondContact O-N 3.31Å; W268-A270 HydrophobicContact CE3-CB 4Å; W268-A270 HydrophobicContact CZ3-CB 3.73Å
271	V	97.9	Very high	96	Very high	3 Å²	3	42.7 Å²	42.7	2%	0.018	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	144.6	174.8	-74.1	0	0	0	0	109.6	T224 L225 W241 Q248 T252 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.45Å; L225-V271 HydrophobicContact CB-CG2 4.2Å; L225-V271 PolarHBondContact N-O 2.93Å; L225-V271 PolarHBondContact O-N 3.21Å; W241-V271 HydrophobicContact CB-CG1 3.72Å; W241-V271 HydrophobicContact CB-CG2 4.4Å; W241-V271 HydrophobicContact CD2-CG1 4.42Å; W241-V271 HydrophobicContact CD2-CG2 3.63Å; W241-V271 HydrophobicContact CE3-CG2 4.06Å; W241-V271 HydrophobicContact CG-CB 4.41Å; W241-V271 HydrophobicContact CG-CG1 3.68Å; W241-V271 HydrophobicContact CG-CG2 3.81Å; W241-V271 HydrophobicContact CZ2-CG2 4.28Å; Q248-V271 HydrophobicContact CB-CG1 4.45Å; T252-V271 HydrophobicContact CG2-CG1 4.38Å; T252-V271 VanDerWaalsContact OG1-CG1 3.31Å; T252-V271 WeakPolarHBondContact OG1-CG1 2.98Å; V271-V273 HydrophobicContact CB-CG1 4.44Å; V271-V273 HydrophobicContact CG2-CG1 3.81Å; V271-Y281 HydrophobicContact CG2-CD1 4.02Å; V271-Y281 HydrophobicContact CG2-CE1 4.35Å
272	V	97.4	Very high	96.2	Very high	78 Å²	78	39.6 Å²	39.6	47%	0.473	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	131.8	166	-175.9	0	0	0	0	108	E222	E222-V272 HydrophobicContact CB-CG1 4.05Å; E222-V272 HydrophobicContact CG-CG1 4.31Å
273	V	96.4	Very high	96.4	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	143.3	-178.3	-48.8	0	0	0	0	110.1	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.44Å; A223-V273 PolarHBondContact N-O 2.83Å; A223-V273 PolarHBondContact O-N 3.42Å; L225-V273 HydrophobicContact CD1-CG1 4.01Å; L225-V273 HydrophobicContact CD1-CG2 4.15Å; L225-V273 HydrophobicContact CG-CG1 4.1Å; L225-V273 HydrophobicContact CG-CG2 3.9Å; V271-V273 HydrophobicContact CB-CG1 4.44Å; V271-V273 HydrophobicContact CG2-CG1 3.81Å; V273-E278 HydrophobicContact CG2-CB 4.49Å; V273-E278 HydrophobicContact CG2-CG 3.92Å; V273-Y281 HydrophobicContact CB-CD2 4.02Å; V273-Y281 HydrophobicContact CB-CE2 3.68Å; V273-Y281 HydrophobicContact CG1-CD1 3.76Å; V273-Y281 HydrophobicContact CG1-CD2 3.64Å; V273-Y281 HydrophobicContact CG1-CE1 3.66Å; V273-Y281 HydrophobicContact CG1-CE2 3.57Å; V273-Y281 HydrophobicContact CG1-CG 3.73Å
274	P	96.2	Very high	96.6	Very high	46 Å²	46	33.6 Å²	33.6	30%	0.299	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	142.4	173.1	-19.5	32.2	0	0	0	111.8	H221 G276 Q277	H221-P274 CarbonylContact O-C 3.45Å; H221-P274 WeakPolarHBondContact O-CA 3.32Å; P274-G276 PolarHBondContact O-N 2.81Å; P274-Q277 HydrophobicContact CB-CB 4.45Å; P274-Q277 HydrophobicContact CB-CG 4.14Å; P274-Q277 WeakPolarHBondContact O-CB 3.45Å; P274-Q277 PolarHBondContact O-N 2.03Å
275	S	92.3	Very high	96.7	Very high	55 Å²	55	33.2 Å²	33.2	39%	0.385	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	130.5	176.3	-62.1	0	0	0	0	111.9	D220 H221 E222 Q277	D220-S275 PolarHBondContact O-OG 3.43Å; H221-S275 WeakPolarHBondContact CA-OG 3.33Å; H221-S275 PolarHBondContact O-N 2.85Å; H221-S275 PolarHBondContact O-OG 2.99Å; E222-S275 PolarHBondContact N-OG 2.78Å; S275-Q277 VanDerWaalsContact C-N 3.3Å; S275-Q277 PolarHBondContact O-N 3.45Å
276	G	91.4	Very high	96.6	Very high	66 Å²	66	34.7 Å²	34.7	68%	0.68	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.6	0.3	-177.9	0	0	0	0	0	115.2	P274 E278	P274-G276 PolarHBondContact O-N 2.81Å; G276-E278 WeakPolarHBondContact CA-OE2 3.4Å; G276-E278 VanDerWaalsContact N-CD 3.35Å; G276-E278 PolarHBondContact N-OE1 3.06Å; G276-E278 PolarHBondContact N-OE2 3.49Å
277	Q	95.2	Very high	96.5	Very high	66 Å²	66	33.2 Å²	33.2	31%	0.308	18%	0.183	S	C	.	.			trans	-104.5	2.6	177	-58.3	-163.1	46.2	0	0	113.7	P274 S275 Q279 R280 Y281	P274-Q277 HydrophobicContact CB-CB 4.45Å; P274-Q277 HydrophobicContact CB-CG 4.14Å; P274-Q277 WeakPolarHBondContact O-CB 3.45Å; P274-Q277 PolarHBondContact O-N 2.03Å; S275-Q277 VanDerWaalsContact C-N 3.3Å; S275-Q277 PolarHBondContact O-N 3.45Å; Q277-Q279 PolarHBondContact O-N 2.91Å; Q277-Q279 VanDerWaalsContact O-N 3.08Å; Q277-R280 VanDerWaalsContact O-CB 3.3Å; Q277-R280 WeakPolarHBondContact O-CB 3.42Å; Q277-R280 PolarHBondContact O-N 2.86Å; Q277-Y281 WeakPolarHBondContact O-CD2 3.32Å
278	E	94.6	Very high	96.2	Very high	21 Å²	21	35.4 Å²	35.4	10%	0.098	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-57.8	-31.3	-171.7	-50.1	79.7	-173.8	0	0	112.7	L225 V273 G276 R280 Y281 W298	L225-E278 HydrophobicContact CD1-CB 4.13Å; L225-E278 HydrophobicContact CD2-CB 4.48Å; L225-E278 HydrophobicContact CD2-CG 4.48Å; V273-E278 HydrophobicContact CG2-CB 4.49Å; V273-E278 HydrophobicContact CG2-CG 3.92Å; G276-E278 WeakPolarHBondContact CA-OE2 3.4Å; G276-E278 VanDerWaalsContact N-CD 3.35Å; G276-E278 PolarHBondContact N-OE1 3.06Å; G276-E278 PolarHBondContact N-OE2 3.49Å; E278-R280 VanDerWaalsContact C-N 3.28Å; E278-R280 PolarHBondContact O-N 3.28Å; E278-Y281 PolarHBondContact O-N 2.71Å; E278-W298 HydrophobicContact CB-CD2 4.48Å; E278-W298 HydrophobicContact CB-CE3 3.47Å; E278-W298 VanDerWaalsContact CB-CE3 3.47Å; E278-W298 HydrophobicContact CB-CZ3 3.86Å; E278-W298 HydrophobicContact CG-CE3 3.74Å; E278-W298 HydrophobicContact CG-CZ3 3.7Å
279	Q	94.9	Very high	95.9	Very high	88 Å²	88	34.7 Å²	34.7	41%	0.411	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-74.4	-13.2	180	-61.8	-56.9	-49.3	0	0	114.3	Q277 Y281 R297 W298	Q277-Q279 PolarHBondContact O-N 2.91Å; Q277-Q279 VanDerWaalsContact O-N 3.08Å; Q279-Y281 VanDerWaalsContact C-N 3.29Å; Q279-R297 PolarHBondContact O-NE 3.04Å; Q279-W298 PolarHBondContact NE2-O 2.98Å
280	R	96.6	Very high	95.6	Very high	104 Å²	104	35.8 Å²	35.8	39%	0.392	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-75.2	-21.5	170.5	-61.7	176	69	179.1	5.4	112	R243 D244 Q277 E278	R243-R280 WeakPolarHBondContact CA-O 3.41Å; R243-R280 HydrophobicContact CG-CB 4.27Å; D244-R280 PolarHBondContact N-O 3.41Å; D244-R280 WeakPolarHBondContact OD1-CB 3.43Å; D244-R280 IonicContact OD1-NE 3.43Å; D244-R280 PolarHBondContact OD1-NE 3.32Å; D244-R280 IonicContact OD2-CZ 3.1Å; D244-R280 IonicContact OD2-NE 2.78Å; D244-R280 PolarHBondContact OD2-NE 2.93Å; D244-R280 IonicContact OD2-NH2 2.65Å; D244-R280 PolarHBondContact OD2-NH2 2.67Å; Q277-R280 VanDerWaalsContact O-CB 3.3Å; Q277-R280 WeakPolarHBondContact O-CB 3.42Å; Q277-R280 PolarHBondContact O-N 2.86Å; E278-R280 VanDerWaalsContact C-N 3.28Å; E278-R280 PolarHBondContact O-N 3.28Å
281	Y	97.3	Very high	95.2	Very high	11 Å²	11	42.7 Å²	42.7	4%	0.043	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	130.3	-175.1	-70.6	-101.6	0	0	0	111.6	Q242 R243 Q248 V271 V273 Q277 E278 Q279	Q242-Y281 CarbonylContact O-C 3.54Å; Q242-Y281 VanDerWaalsContact O-CA 3.25Å; Q242-Y281 WeakPolarHBondContact O-CA 3.22Å; R243-Y281 HydrophobicContact CB-CD1 4.11Å; R243-Y281 HydrophobicContact CB-CE1 3.96Å; R243-Y281 HydrophobicContact CG-CD2 4.4Å; R243-Y281 HydrophobicContact CG-CE1 4.23Å; R243-Y281 HydrophobicContact CG-CE2 4.06Å; Q248-Y281 HydrophobicContact CG-CE1 4.28Å; V271-Y281 HydrophobicContact CG2-CD1 4.02Å; V271-Y281 HydrophobicContact CG2-CE1 4.35Å; V273-Y281 HydrophobicContact CB-CD2 4.02Å; V273-Y281 HydrophobicContact CB-CE2 3.68Å; V273-Y281 HydrophobicContact CG1-CD1 3.76Å; V273-Y281 HydrophobicContact CG1-CD2 3.64Å; V273-Y281 HydrophobicContact CG1-CE1 3.66Å; V273-Y281 HydrophobicContact CG1-CE2 3.57Å; V273-Y281 HydrophobicContact CG1-CG 3.73Å; Q277-Y281 WeakPolarHBondContact O-CD2 3.32Å; E278-Y281 PolarHBondContact O-N 2.71Å; Q279-Y281 VanDerWaalsContact C-N 3.29Å
282	T	97.8	Very high	94.7	Very high	11 Å²	11	50.3 Å²	50.3	7%	0.067	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	131.2	173.3	41.9	0	0	0	0	110.7	W241 Q242 H284 T295 L296 R297	W241-T282 CarbonylContact C-O 3.4Å; W241-T282 WeakPolarHBondContact CA-O 3.44Å; Q242-T282 PolarHBondContact N-O 2.96Å; Q242-T282 PolarHBondContact O-N 3.2Å; T282-H284 WeakPolarHBondContact CB-NE2 3.25Å; T282-H284 PolarHBondContact OG1-NE2 2.88Å; T282-T295 HydrophobicContact CG2-CG2 3.92Å; T282-L296 CarbonylContact C-O 3.58Å; T282-L296 VanDerWaalsContact CA-O 3.31Å; T282-L296 WeakPolarHBondContact CA-O 3.37Å; T282-R297 HydrophobicContact CG2-CG 3.65Å
283	C	97.9	Very high	94.5	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	132.6	165.8	173	0	0	0	0	108.9	C227 T240 W241 T295 L296	C227-C283 HydrophobicContact CB-CB 3.48Å; C227-C283 VanDerWaalsContact CB-CB 3.48Å; C227-C283 WeakPolarHBondContact CB-SG 3.43Å; C227-C283 WeakPolarHBondContact SG-CB 3.26Å; C227-C283 CovalentContact SG-SG 2.02Å; C227-C283 PolarHBondContact SG-SG 2.87Å; T240-C283 CarbonylContact O-C 3.56Å; T240-C283 WeakPolarHBondContact O-CA 3.44Å; W241-C283 HydrophobicContact CD2-CB 4.04Å; W241-C283 HydrophobicContact CE3-CB 4Å; W241-C283 HydrophobicContact CH2-CB 4Å; W241-C283 HydrophobicContact CZ2-CB 4.04Å; W241-C283 HydrophobicContact CZ3-CB 3.97Å; C283-T295 WeakPolarHBondContact O-CA 3.47Å; C283-L296 HydrophobicContact CB-CB 4.23Å; C283-L296 PolarHBondContact N-O 3.48Å; C283-L296 PolarHBondContact O-N 2.73Å
284	H	97.3	Very high	94.3	Very high	32 Å²	32	49.6 Å²	49.6	15%	0.148	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	134.3	174.6	-60.8	-94.3	0	0	0	109.4	L239 T240 Q242 T282 C294 T295	L239-H284 WeakPolarHBondContact CA-O 3.42Å; T240-H284 PolarHBondContact N-O 3.35Å; T240-H284 PolarHBondContact O-N 3.22Å; Q242-H284 PolarHBondContact OE1-NE2 2.93Å; T282-H284 WeakPolarHBondContact CB-NE2 3.25Å; T282-H284 PolarHBondContact OG1-NE2 2.88Å; H284-C294 WeakPolarHBondContact CA-O 3.29Å; H284-T295 VanDerWaalsContact CE1-CG2 3.42Å; H284-T295 WeakPolarHBondContact CE1-CG2 3.28Å; H284-T295 PolarHBondContact ND1-OG1 3.32Å; H284-T295 VanDerWaalsContact ND1-OG1 3.14Å
285	V	97.4	Very high	94.3	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	120.3	-178.7	178.9	0	0	0	0	109	P209 T211 I237 T238 L239 L290 P293 C294 L296	P209-V285 HydrophobicContact CG-CG1 4.01Å; T211-V285 HydrophobicContact CG2-CB 4.4Å; T211-V285 HydrophobicContact CG2-CG1 4.12Å; T211-V285 HydrophobicContact CG2-CG2 4.01Å; I237-V285 HydrophobicContact CD1-CG1 3.94Å; I237-V285 HydrophobicContact CG1-CG1 4.23Å; T238-V285 WeakPolarHBondContact O-CA 3.42Å; L239-V285 HydrophobicContact CD1-CG1 4.03Å; L239-V285 HydrophobicContact CD1-CG2 4.14Å; L239-V285 HydrophobicContact CG-CG2 4.09Å; V285-L290 HydrophobicContact CG1-CD1 4.31Å; V285-P293 WeakPolarHBondContact O-CA 3.45Å; V285-C294 HydrophobicContact CB-CB 4.1Å; V285-C294 PolarHBondContact N-O 3.42Å; V285-C294 PolarHBondContact O-N 2.89Å; V285-L296 HydrophobicContact CG2-CD1 3.91Å
286	Q	96.5	Very high	94.5	Very high	57 Å²	57	49.7 Å²	49.7	27%	0.266	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	129.7	173.9	-57.2	174.4	-12.3	0	0	109.3	I237 T238 P293	I237-Q286 WeakPolarHBondContact CG1-O 3.33Å; T238-Q286 PolarHBondContact N-O 3.2Å; T238-Q286 PolarHBondContact O-N 3.06Å; Q286-P293 HydrophobicContact CG-CB 3.96Å; Q286-P293 HydrophobicContact CG-CG 4.06Å
287	H	95.4	Very high	94.6	Very high	11 Å²	11	53 Å²	53	5%	0.051	25%	0.253	C	S	.	.			trans	-158	143.2	-178.5	-175.8	-98.7	0	0	0	108.3	E207 P209 F232 Y233 P234 E236 I237 G289 L290	E207-H287 PolarHBondContact O-CE1 3.07Å; P209-H287 HydrophobicContact CG-CB 4Å; F232-H287 AromaticContact CD2-CD2 3.95Å; F232-H287 AromaticContact CD2-NE2 3.85Å; Y233-H287 PolarHBondContact O-CE1 3.19Å; P234-H287 PolarHBondContact O-NE2 3.48Å; P234-H287 VanDerWaalsContact O-NE2 3.09Å; E236-H287 PolarHBondContact O-CD2 3.01Å; I237-H287 HydrophobicContact CD1-CB 4.2Å; I237-H287 HydrophobicContact CG1-CB 4.04Å; H287-G289 PolarHBondContact ND1-N 3.06Å; H287-G289 PolarHBondContact O-N 3.29Å; H287-G289 VanDerWaalsContact O-N 3.16Å; H287-L290 HydrophobicContact CB-CD1 4.09Å; H287-L290 HydrophobicContact CB-CG 4.23Å; H287-L290 WeakPolarHBondContact O-CB 3.34Å; H287-L290 PolarHBondContact O-N 3.43Å
288	E	92.4	Very high	94.6	Very high	69 Å²	69	52 Å²	52	32%	0.322	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-22.3	-175.4	57.5	150.5	-128.4	0	0	114.7	W23 A206 P234 L290	W23-E288 HydrophobicContact CE3-CB 4.45Å; A206-E288 HydrophobicContact CB-CG 4.29Å; A206-E288 VanDerWaalsContact CB-OE1 3.23Å; A206-E288 WeakPolarHBondContact CB-OE1 3.34Å; P234-E288 VanDerWaalsContact CD-CD 3.41Å; P234-E288 WeakPolarHBondContact CD-OE1 3.45Å; P234-E288 HydrophobicContact CG-CG 3.84Å; E288-L290 PolarHBondContact O-N 3.07Å
289	G	92.1	Very high	94.4	Very high	9 Å²	9	57.6 Å²	57.6	9%	0.093	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-17.8	174.7	0	0	0	0	0	113.7	R208 H287	R208-G289 WeakPolarHBondContact CD-O 3.36Å; R208-G289 WeakPolarHBondContact CG-O 3.34Å; R208-G289 PolarHBondContact NE-O 3.14Å; H287-G289 PolarHBondContact ND1-N 3.06Å; H287-G289 PolarHBondContact O-N 3.29Å; H287-G289 VanDerWaalsContact O-N 3.16Å
290	L	92.9	Very high	93.6	Very high	22 Å²	22	57.2 Å²	57.2	12%	0.115	28%	0.275	C	S	.	.			trans	-92	131.4	-178	-57.4	173.8	0	0	0	110.8	R208 P209 V285 H287 E288 E292 C294	R208-L290 HydrophobicContact CB-CD2 4.27Å; R208-L290 HydrophobicContact CG-CD2 4.16Å; P209-L290 HydrophobicContact CG-CD1 4Å; P209-L290 HydrophobicContact CG-CD2 4.33Å; P209-L290 HydrophobicContact CG-CG 4.27Å; V285-L290 HydrophobicContact CG1-CD1 4.31Å; H287-L290 HydrophobicContact CB-CD1 4.09Å; H287-L290 HydrophobicContact CB-CG 4.23Å; H287-L290 WeakPolarHBondContact O-CB 3.34Å; H287-L290 PolarHBondContact O-N 3.43Å; E288-L290 PolarHBondContact O-N 3.07Å; L290-E292 VanDerWaalsContact C-N 3.3Å; L290-E292 PolarHBondContact O-N 2.9Å; L290-C294 HydrophobicContact CD1-CB 4.15Å
291	Q	88.8	Confident	92.2	Very high	148 Å²	148	57.3 Å²	57.3	69%	0.692	29%	0.292	S	S	*	.	S	Bend	trans	-65.8	-34.6	173.9	-63.7	-161.1	54.5	0	0	112.6	A372	Q291-A372 PolarHBondContact NE2-O 3.38Å; Q291-A372 PolarHBondContact NE2-OXT 2.99Å
292	E	89	Confident	89.8	Confident	162 Å²	162	62.2 Å²	62.2	76%	0.757	33%	0.328	S	S	*	.	S	Bend	trans	-138	150	178	-65.9	-175.2	164	0	0	109.5	L290 C294	L290-E292 VanDerWaalsContact C-N 3.3Å; L290-E292 PolarHBondContact O-N 2.9Å; E292-C294 PolarHBondContact O-N 3.14Å
293	P	91.4	Very high	87.2	Confident	59 Å²	59	69.3 Å²	69.3	38%	0.383	36%	0.36	S	S	.	.			trans	-54.5	122.4	175.3	-28.1	36.6	0	0	0	113.4	V285 Q286 T295	V285-P293 WeakPolarHBondContact O-CA 3.45Å; Q286-P293 HydrophobicContact CG-CB 3.96Å; Q286-P293 HydrophobicContact CG-CG 4.06Å; P293-T295 PolarHBondContact O-N 3.42Å
294	C	92.4	Very high	84.4	Confident	5 Å²	5	74.7 Å²	74.7	3%	0.034	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	123.2	175.3	-78.4	0	0	0	0	110	H284 V285 L290 E292 C370	H284-C294 WeakPolarHBondContact CA-O 3.29Å; V285-C294 HydrophobicContact CB-CB 4.1Å; V285-C294 PolarHBondContact N-O 3.42Å; V285-C294 PolarHBondContact O-N 2.89Å; L290-C294 HydrophobicContact CD1-CB 4.15Å; E292-C294 PolarHBondContact O-N 3.14Å; C294-C370 HydrophobicContact CB-CB 4.43Å; C294-C370 WeakPolarHBondContact CB-SG 3.15Å; C294-C370 WeakPolarHBondContact SG-CB 3.48Å; C294-C370 CovalentContact SG-SG 2.03Å; C294-C370 PolarHBondContact SG-SG 3.18Å
295	T	96.3	Very high	81.7	Confident	83 Å²	83	79.4 Å²	79.4	51%	0.509	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	124.8	170.4	-55.7	0	0	0	0	110.3	T282 C283 H284 P293	T282-T295 HydrophobicContact CG2-CG2 3.92Å; C283-T295 WeakPolarHBondContact O-CA 3.47Å; H284-T295 VanDerWaalsContact CE1-CG2 3.42Å; H284-T295 WeakPolarHBondContact CE1-CG2 3.28Å; H284-T295 PolarHBondContact ND1-OG1 3.32Å; H284-T295 VanDerWaalsContact ND1-OG1 3.14Å; P293-T295 PolarHBondContact O-N 3.42Å
296	L	95.9	Very high	79	Confident	20 Å²	20	85.8 Å²	85.8	11%	0.105	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	143.9	-171.3	-63.7	148.8	0	0	0	110.3	T211 V213 T282 C283 V285	T211-L296 HydrophobicContact CG2-CD1 4.18Å; V213-L296 HydrophobicContact CG2-CB 3.97Å; T282-L296 CarbonylContact C-O 3.58Å; T282-L296 VanDerWaalsContact CA-O 3.31Å; T282-L296 WeakPolarHBondContact CA-O 3.37Å; C283-L296 HydrophobicContact CB-CB 4.23Å; C283-L296 PolarHBondContact N-O 3.48Å; C283-L296 PolarHBondContact O-N 2.73Å; V285-L296 HydrophobicContact CG2-CD1 3.91Å
297	R	95.4	Very high	76.3	Confident	136 Å²	136	88.2 Å²	88.2	51%	0.513	48%	0.48	S	S	.	.			trans	-124.1	153.7	165.1	-69.5	-169.9	174.6	161.3	-0.2	109.1	Q279 T282 K299	Q279-R297 PolarHBondContact O-NE 3.04Å; T282-R297 HydrophobicContact CG2-CG 3.65Å; R297-K299 PolarHBondContact O-N 2.99Å
298	W	95.3	Very high	73.8	Confident	43 Å²	43	95.1 Å²	95.1	16%	0.163	52%	0.517	C	S	.	.			trans	-60.2	133.2	164.8	173.7	60.9	0	0	0	110	V213 H215 L225 E278 Q279 P300	V213-W298 HydrophobicContact CB-CB 4.45Å; V213-W298 HydrophobicContact CG1-CB 3.79Å; H215-W298 HydrophobicContact CB-CD2 4.13Å; H215-W298 HydrophobicContact CB-CG 4.12Å; H215-W298 HydrophobicContact CB-CZ2 4.07Å; H215-W298 VanDerWaalsContact CB-NE1 3.27Å; H215-W298 AromaticContact CD2-CE2 3.97Å; H215-W298 AromaticContact CD2-CZ2 3.91Å; H215-W298 AromaticContact CG-CE2 3.72Å; H215-W298 AromaticContact CG-CZ2 3.74Å; H215-W298 AromaticContact CG-NE1 3.95Å; H215-W298 AromaticContact ND1-CZ2 3.94Å; L225-W298 HydrophobicContact CD1-CB 4.38Å; L225-W298 HydrophobicContact CD2-CB 3.77Å; L225-W298 HydrophobicContact CD2-CD2 4.38Å; L225-W298 HydrophobicContact CD2-CG 3.95Å; E278-W298 HydrophobicContact CB-CD2 4.48Å; E278-W298 HydrophobicContact CB-CE3 3.47Å; E278-W298 VanDerWaalsContact CB-CE3 3.47Å; E278-W298 HydrophobicContact CB-CZ3 3.86Å; E278-W298 HydrophobicContact CG-CE3 3.74Å; E278-W298 HydrophobicContact CG-CZ3 3.7Å; Q279-W298 PolarHBondContact NE2-O 2.98Å; W298-P300 HydrophobicContact CE3-CG 4.34Å; W298-P300 HydrophobicContact CH2-CB 4.24Å; W298-P300 HydrophobicContact CH2-CG 3.78Å; W298-P300 HydrophobicContact CZ2-CB 4.09Å; W298-P300 HydrophobicContact CZ2-CG 4.01Å; W298-P300 HydrophobicContact CZ3-CG 3.94Å
299	K	88.4	Confident	71.2	Confident	140 Å²	140	99.7 Å²	99.7	61%	0.609	54%	0.543	S	S	*	.			trans	-112.7	125.1	167.5	-67.8	179.7	-179.1	176.5	0	107.2	R297 S301 I368	R297-K299 PolarHBondContact O-N 2.99Å; K299-S301 PolarHBondContact O-N 3.4Å; K299-I368 HydrophobicContact CD-CD1 4.09Å
300	P	79.9	Confident	68.9	Low	80 Å²	80	101.9 Å²	101.9	52%	0.519	57%	0.565	S	S	.	*			trans	-51.5	132.9	166.9	-24	32.8	0	0	0	109.3	W298 S302	W298-P300 HydrophobicContact CE3-CG 4.34Å; W298-P300 HydrophobicContact CH2-CB 4.24Å; W298-P300 HydrophobicContact CH2-CG 3.78Å; W298-P300 HydrophobicContact CZ2-CB 4.09Å; W298-P300 HydrophobicContact CZ2-CG 4.01Å; W298-P300 HydrophobicContact CZ3-CG 3.94Å; P300-S302 PolarHBondContact O-N 3.22Å
301	S	65.8	Low	66.8	Low	106 Å²	106	108.9 Å²	108.9	74%	0.741	60%	0.601	S	S	*	*			trans	-65	112.1	178.5	-176.3	0	0	0	0	108.8	K299 Q303	K299-S301 PolarHBondContact O-N 3.4Å; S301-Q303 PolarHBondContact O-N 3.31Å
302	S	48.1	Very low	65	Low	113 Å²	113	106.6 Å²	106.6	79%	0.79	60%	0.597	S	S	*	*			trans	-74	68.1	167.1	61.2	0	0	0	0	109.1	P300	P300-S302 PolarHBondContact O-N 3.22Å
303	Q	42.3	Very low	63.3	Low	160 Å²	160	103 Å²	103	75%	0.748	59%	0.59	S	S	*	*			trans	-51.2	127.5	154.6	-77.3	-170.5	-24.9	0	0	106.4	S301 T305	S301-Q303 PolarHBondContact O-N 3.31Å; Q303-T305 VanDerWaalsContact C-N 3.29Å; Q303-T305 PolarHBondContact O-N 2.92Å
304	P	39.5	Very low	61.7	Low	114 Å²	114	102.3 Å²	102.3	74%	0.74	59%	0.593	S	S	*	*			trans	-65.8	99.9	168.7	27.4	-31.4	0	0	0	106.5	I306	P304-I306 PolarHBondContact O-N 3.4Å
305	T	40.4	Very low	60	Low	130 Å²	130	106.9 Å²	106.9	80%	0.798	62%	0.623	S	S	*	*			trans	-54.4	99.1	159.7	-61.5	0	0	0	0	105.5	Q303 P307	Q303-T305 VanDerWaalsContact C-N 3.29Å; Q303-T305 PolarHBondContact O-N 2.92Å; T305-P307 WeakPolarHBondContact O-CD 3.42Å
306	I	40.2	Very low	58.1	Low	134 Å²	134	105.4 Å²	105.4	69%	0.687	62%	0.619	S	S	*	*			trans	-56.2	110.7	178.4	-62.7	175	0	0	0	104.8	P304 N308	P304-I306 PolarHBondContact O-N 3.4Å; I306-N308 PolarHBondContact O-N 2.72Å
307	P	39.9	Very low	56.6	Low	109 Å²	109	108.2 Å²	108.2	71%	0.708	64%	0.637	S	S	*	*			trans	-67.3	112.1	178.1	27.4	-29.7	0	0	0	104.6	T305 L309	T305-P307 WeakPolarHBondContact O-CD 3.42Å; P307-L309 WeakPolarHBondContact O-CA 3.46Å; P307-L309 PolarHBondContact O-N 2.8Å
308	N	43.1	Very low	55.2	Low	156 Å²	156	107.7 Å²	107.7	83%	0.834	64%	0.643	S	S	*	*			trans	-48.2	106.6	-176.9	-81.7	-44.7	0	0	0	108.3	I306 G310	I306-N308 PolarHBondContact O-N 2.72Å; N308-G310 PolarHBondContact O-N 3.5Å
309	L	38.8	Very low	54	Low	165 Å²	165	108.3 Å²	108.3	86%	0.864	66%	0.658	S	S	*	*			trans	-59.3	111.5	-166.9	177.8	63.2	0	0	0	107.2	P307 I311	P307-L309 WeakPolarHBondContact O-CA 3.46Å; P307-L309 PolarHBondContact O-N 2.8Å; L309-I311 PolarHBondContact O-N 3.16Å; L309-I311 VanDerWaalsContact O-N 3.14Å
310	G	42.5	Very low	53.4	Low	54 Å²	54	105.9 Å²	105.9	56%	0.557	66%	0.655	S	S	*	*			trans	-51.7	124	-164.7	0	0	0	0	0	110.1	N308 V312	N308-G310 PolarHBondContact O-N 3.5Å; G310-V312 VanDerWaalsContact C-N 3.33Å; G310-V312 PolarHBondContact O-N 2.99Å
311	I	48.7	Very low	53.2	Low	169 Å²	169	107.1 Å²	107.1	87%	0.867	66%	0.656	S	S	*	*			trans	-60.4	99.1	-177.5	-61.9	173.4	0	0	0	107.4	L309 S313	L309-I311 PolarHBondContact O-N 3.16Å; L309-I311 VanDerWaalsContact O-N 3.14Å; I311-S313 PolarHBondContact O-N 3.07Å
312	V	52	Low	53.7	Low	101 Å²	101	104.6 Å²	104.6	61%	0.612	64%	0.642	S	S	*	*			trans	-56.2	124.7	176.3	172.2	0	0	0	0	106.9	G310 G314	G310-V312 VanDerWaalsContact C-N 3.33Å; G310-V312 PolarHBondContact O-N 2.99Å; V312-G314 PolarHBondContact O-N 3.37Å
313	S	53.5	Low	55.1	Low	86 Å²	86	103.4 Å²	103.4	60%	0.601	63%	0.63	S	S	*	*			trans	-55.5	131.4	-168.8	49.8	0	0	0	0	111.1	I311 P315 A316	I311-S313 PolarHBondContact O-N 3.07Å; S313-P315 VanDerWaalsContact C-N 3.3Å; S313-P315 VanDerWaalsContact O-CD 3.24Å; S313-P315 WeakPolarHBondContact O-CD 3.47Å; S313-A316 PolarHBondContact O-N 3.23Å
314	G	56.3	Low	56.9	Low	44 Å²	44	100.5 Å²	100.5	45%	0.454	62%	0.619	S	S	.	*	H	α-helix	trans	-47.4	-33.5	-167.9	0	0	0	0	0	117.8	V312 A316 L318	V312-G314 PolarHBondContact O-N 3.37Å; G314-A316 VanDerWaalsContact C-N 3.31Å; G314-A316 PolarHBondContact O-N 3Å; G314-L318 PolarHBondContact O-N 2.89Å
315	P	57.8	Low	58.8	Low	101 Å²	101	97.7 Å²	97.7	66%	0.656	61%	0.605	S	S	*	*	H	α-helix	trans	-57.2	-37.7	-178.5	-28.5	36.8	0	0	0	114.8	S313 A319	S313-P315 VanDerWaalsContact C-N 3.3Å; S313-P315 VanDerWaalsContact O-CD 3.24Å; S313-P315 WeakPolarHBondContact O-CD 3.47Å; P315-A319 WeakPolarHBondContact O-CB 3.42Å; P315-A319 PolarHBondContact O-N 2.79Å
316	A	56.6	Low	60.7	Low	53 Å²	53	95.8 Å²	95.8	44%	0.438	59%	0.593	S	S	.	*	H	α-helix	trans	-69.3	-44.8	-173.5	0	0	0	0	0	112.5	S313 G314 A319 V320	S313-A316 PolarHBondContact O-N 3.23Å; G314-A316 VanDerWaalsContact C-N 3.31Å; G314-A316 PolarHBondContact O-N 3Å; A316-A319 PolarHBondContact O-N 3.29Å; A316-V320 WeakPolarHBondContact O-CG2 3.5Å; A316-V320 PolarHBondContact O-N 2.88Å; A316-V320 VanDerWaalsContact O-N 3.12Å
317	V	63.9	Low	62.6	Low	78 Å²	78	94.2 Å²	94.2	47%	0.473	59%	0.586	S	S	.	*	H	α-helix	trans	-68.2	-39.9	179.7	-175.6	0	0	0	0	110.7	V320 L321	V317-V320 PolarHBondContact O-N 2.64Å; V317-L321 HydrophobicContact CG1-CD1 4.06Å; V317-L321 HydrophobicContact CG1-CG 4.48Å; V317-L321 WeakPolarHBondContact O-CB 3.26Å; V317-L321 WeakPolarHBondContact O-CG 3.11Å; V317-L321 PolarHBondContact O-N 2.94Å
318	L	67	Low	64.5	Low	125 Å²	125	92.1 Å²	92.1	65%	0.654	58%	0.577	S	S	*	*	H	α-helix	trans	-62.2	-41.2	174.9	-107.4	152.7	0	0	0	112.5	G314 L321 A322	G314-L318 PolarHBondContact O-N 2.89Å; L318-L321 PolarHBondContact O-N 3.15Å; L318-A322 WeakPolarHBondContact O-CB 3.36Å; L318-A322 PolarHBondContact O-N 2.96Å
319	A	70.3	Confident	66.2	Low	56 Å²	56	89.2 Å²	89.2	46%	0.463	57%	0.565	S	S	.	*	H	α-helix	trans	-63.4	-44.2	175.7	0	0	0	0	0	112.2	P315 A316 A322 V323	P315-A319 WeakPolarHBondContact O-CB 3.42Å; P315-A319 PolarHBondContact O-N 2.79Å; A316-A319 PolarHBondContact O-N 3.29Å; A319-A322 PolarHBondContact O-N 2.91Å; A319-V323 WeakPolarHBondContact O-CG2 3.21Å; A319-V323 PolarHBondContact O-N 2.87Å
320	V	74.6	Confident	68.1	Low	90 Å²	90	86.1 Å²	86.1	55%	0.545	55%	0.549	S	S	.	.	H	α-helix	trans	-63.5	-44.6	176.9	172.8	0	0	0	0	111.4	A316 V317 A322 V323 L324	A316-V320 WeakPolarHBondContact O-CG2 3.5Å; A316-V320 PolarHBondContact O-N 2.88Å; A316-V320 VanDerWaalsContact O-N 3.12Å; V317-V320 PolarHBondContact O-N 2.64Å; V320-A322 PolarHBondContact O-N 2.81Å; V320-V323 PolarHBondContact O-N 2.69Å; V320-L324 HydrophobicContact CG1-CD1 3.98Å; V320-L324 HydrophobicContact CG1-CG 4.46Å; V320-L324 WeakPolarHBondContact O-CG 3.38Å; V320-L324 PolarHBondContact O-N 2.83Å
321	L	75.8	Confident	69.7	Low	105 Å²	105	85.4 Å²	85.4	55%	0.55	54%	0.542	S	S	.	.	H	α-helix	trans	-63.4	-39.2	176.8	-72.2	171	0	0	0	112.4	V317 L318 L324 A325	V317-L321 HydrophobicContact CG1-CD1 4.06Å; V317-L321 HydrophobicContact CG1-CG 4.48Å; V317-L321 WeakPolarHBondContact O-CB 3.26Å; V317-L321 WeakPolarHBondContact O-CG 3.11Å; V317-L321 PolarHBondContact O-N 2.94Å; L318-L321 PolarHBondContact O-N 3.15Å; L321-L324 PolarHBondContact O-N 3.32Å; L321-A325 WeakPolarHBondContact O-CB 3.3Å; L321-A325 PolarHBondContact O-N 3.08Å
322	A	75.7	Confident	71	Confident	54 Å²	54	80.2 Å²	80.2	45%	0.446	52%	0.524	S	S	.	.	H	α-helix	trans	-64	-43.5	175.1	0	0	0	0	0	112.2	L318 A319 V320 A325 V326	L318-A322 WeakPolarHBondContact O-CB 3.36Å; L318-A322 PolarHBondContact O-N 2.96Å; A319-A322 PolarHBondContact O-N 2.91Å; V320-A322 PolarHBondContact O-N 2.81Å; A322-A325 PolarHBondContact O-N 3.13Å; A322-V326 WeakPolarHBondContact O-CG2 3.36Å; A322-V326 PolarHBondContact O-N 3.03Å
323	V	78.4	Confident	72.1	Confident	88 Å²	88	79.5 Å²	79.5	53%	0.533	52%	0.519	S	S	.	.	H	α-helix	trans	-63.1	-43.7	175.6	170.3	0	0	0	0	111.2	A319 V320 A325 V326 L327	A319-V323 WeakPolarHBondContact O-CG2 3.21Å; A319-V323 PolarHBondContact O-N 2.87Å; V320-V323 PolarHBondContact O-N 2.69Å; V323-A325 PolarHBondContact O-N 2.7Å; V323-V326 PolarHBondContact O-N 3.28Å; V323-L327 HydrophobicContact CG1-CD1 3.86Å; V323-L327 HydrophobicContact CG1-CG 4.43Å; V323-L327 WeakPolarHBondContact O-CB 3.43Å; V323-L327 VanDerWaalsContact O-CG 3.32Å; V323-L327 WeakPolarHBondContact O-CG 3.3Å; V323-L327 PolarHBondContact O-N 2.89Å
324	L	80.6	Confident	73.1	Confident	98 Å²	98	79.5 Å²	79.5	51%	0.513	52%	0.516	S	S	.	.	H	α-helix	trans	-62.7	-39.5	176	-71.7	171.5	0	0	0	112.3	V320 L321 L327 A328	V320-L324 HydrophobicContact CG1-CD1 3.98Å; V320-L324 HydrophobicContact CG1-CG 4.46Å; V320-L324 WeakPolarHBondContact O-CG 3.38Å; V320-L324 PolarHBondContact O-N 2.83Å; L321-L324 PolarHBondContact O-N 3.32Å; L324-L327 PolarHBondContact O-N 3.12Å; L324-A328 WeakPolarHBondContact O-CB 3.49Å; L324-A328 PolarHBondContact O-N 3.05Å
325	A	79.5	Confident	73.8	Confident	55 Å²	55	80.1 Å²	80.1	46%	0.455	52%	0.516	S	S	.	.	H	α-helix	trans	-64.2	-43.4	175.2	0	0	0	0	0	112.2	L321 A322 V323 A328 V329	L321-A325 WeakPolarHBondContact O-CB 3.3Å; L321-A325 PolarHBondContact O-N 3.08Å; A322-A325 PolarHBondContact O-N 3.13Å; V323-A325 PolarHBondContact O-N 2.7Å; A325-A328 PolarHBondContact O-N 3.35Å; A325-V329 WeakPolarHBondContact O-CG2 3.44Å; A325-V329 PolarHBondContact O-N 2.97Å
326	V	79.9	Confident	74.4	Confident	90 Å²	90	77.9 Å²	77.9	55%	0.545	51%	0.507	S	S	.	.	H	α-helix	trans	-62.8	-43.7	175.3	171.1	0	0	0	0	111.2	A322 V323 A328 V329 L330	A322-V326 WeakPolarHBondContact O-CG2 3.36Å; A322-V326 PolarHBondContact O-N 3.03Å; V323-V326 PolarHBondContact O-N 3.28Å; V326-A328 VanDerWaalsContact C-N 3.35Å; V326-A328 PolarHBondContact O-N 2.87Å; V326-V329 PolarHBondContact O-N 2.94Å; V326-L330 HydrophobicContact CG1-CD1 3.95Å; V326-L330 HydrophobicContact CG1-CG 4.46Å; V326-L330 WeakPolarHBondContact O-CG 3.39Å; V326-L330 PolarHBondContact O-N 3.04Å
327	L	80.8	Confident	75	Confident	102 Å²	102	79.4 Å²	79.4	53%	0.534	51%	0.51	S	S	.	.	H	α-helix	trans	-64.1	-37.7	176.3	-71	169	0	0	0	112.3	V323 L324 L330 G331	V323-L327 HydrophobicContact CG1-CD1 3.86Å; V323-L327 HydrophobicContact CG1-CG 4.43Å; V323-L327 WeakPolarHBondContact O-CB 3.43Å; V323-L327 VanDerWaalsContact O-CG 3.32Å; V323-L327 WeakPolarHBondContact O-CG 3.3Å; V323-L327 PolarHBondContact O-N 2.89Å; L324-L327 PolarHBondContact O-N 3.12Å; L327-L330 PolarHBondContact O-N 3.02Å; L327-G331 PolarHBondContact O-N 3.3Å
328	A	79.5	Confident	75.1	Confident	64 Å²	64	80.4 Å²	80.4	53%	0.529	51%	0.512	S	S	.	.	H	α-helix	trans	-65.1	-42	175	0	0	0	0	0	112.2	L324 A325 V326 G331 A332	L324-A328 WeakPolarHBondContact O-CB 3.49Å; L324-A328 PolarHBondContact O-N 3.05Å; A325-A328 PolarHBondContact O-N 3.35Å; V326-A328 VanDerWaalsContact C-N 3.35Å; V326-A328 PolarHBondContact O-N 2.87Å; A328-G331 PolarHBondContact O-N 2.8Å; A328-A332 WeakPolarHBondContact O-CB 3.25Å; A328-A332 PolarHBondContact O-N 3.36Å
329	V	79.1	Confident	74.8	Confident	96 Å²	96	80.7 Å²	80.7	58%	0.582	51%	0.51	S	S	*	.	H	α-helix	trans	-65.1	-45.4	175.5	172.1	0	0	0	0	111.2	A325 V326 G331 A332 V333	A325-V329 WeakPolarHBondContact O-CG2 3.44Å; A325-V329 PolarHBondContact O-N 2.97Å; V326-V329 PolarHBondContact O-N 2.94Å; V329-G331 PolarHBondContact O-N 3.07Å; V329-A332 PolarHBondContact O-N 3.02Å; V329-V333 WeakPolarHBondContact O-CG2 3.28Å; V329-V333 PolarHBondContact O-N 3.26Å
330	L	77.8	Confident	74.2	Confident	100 Å²	100	88.9 Å²	88.9	52%	0.524	53%	0.529	S	S	.	.	H	α-helix	trans	-61.7	-43.1	175.4	-70.9	170.8	0	0	0	111.6	V326 L327 A332 V333 V334	V326-L330 HydrophobicContact CG1-CD1 3.95Å; V326-L330 HydrophobicContact CG1-CG 4.46Å; V326-L330 WeakPolarHBondContact O-CG 3.39Å; V326-L330 PolarHBondContact O-N 3.04Å; L327-L330 PolarHBondContact O-N 3.02Å; L330-A332 PolarHBondContact O-N 3.02Å; L330-V333 PolarHBondContact O-N 2.74Å; L330-V334 WeakPolarHBondContact O-CG2 3.11Å; L330-V334 PolarHBondContact O-N 2.96Å
331	G	76	Confident	73.3	Confident	39 Å²	39	94.8 Å²	94.8	40%	0.402	54%	0.541	S	S	.	.	H	α-helix	trans	-59.9	-42.4	174.2	0	0	0	0	0	112.7	L327 A328 V329 V334 A335	L327-G331 PolarHBondContact O-N 3.3Å; A328-G331 PolarHBondContact O-N 2.8Å; V329-G331 PolarHBondContact O-N 3.07Å; G331-V334 PolarHBondContact O-N 3.13Å; G331-A335 VanDerWaalsContact O-CB 3.24Å; G331-A335 WeakPolarHBondContact O-CB 3.45Å; G331-A335 PolarHBondContact O-N 3.03Å
332	A	76.4	Confident	72	Confident	60 Å²	60	97.5 Å²	97.5	50%	0.496	55%	0.549	S	S	.	.	H	α-helix	trans	-65.6	-40.1	175.9	0	0	0	0	0	112.6	A328 V329 L330 A335 A336	A328-A332 WeakPolarHBondContact O-CB 3.25Å; A328-A332 PolarHBondContact O-N 3.36Å; V329-A332 PolarHBondContact O-N 3.02Å; L330-A332 PolarHBondContact O-N 3.02Å; A332-A335 PolarHBondContact O-N 2.9Å; A332-A336 WeakPolarHBondContact O-CB 3.21Å; A332-A336 PolarHBondContact O-N 3.28Å
333	V	75.7	Confident	70.8	Confident	85 Å²	85	99.5 Å²	99.5	52%	0.515	56%	0.559	S	S	.	*	H	α-helix	trans	-64.6	-45.9	174.7	171.7	0	0	0	0	111	V329 L330 A336 V337	V329-V333 WeakPolarHBondContact O-CG2 3.28Å; V329-V333 PolarHBondContact O-N 3.26Å; L330-V333 PolarHBondContact O-N 2.74Å; V333-A336 PolarHBondContact O-N 3.46Å; V333-V337 WeakPolarHBondContact O-CG2 3.28Å; V333-V337 PolarHBondContact O-N 3Å
334	V	74.1	Confident	69.2	Low	86 Å²	86	100 Å²	100	52%	0.521	57%	0.567	S	S	.	*	H	α-helix	trans	-62	-44.2	175.9	170.7	0	0	0	0	111	L330 G331 A336 V337 I338	L330-V334 WeakPolarHBondContact O-CG2 3.11Å; L330-V334 PolarHBondContact O-N 2.96Å; G331-V334 PolarHBondContact O-N 3.13Å; V334-A336 PolarHBondContact O-N 3.21Å; V334-V337 PolarHBondContact O-N 3.13Å; V334-I338 HydrophobicContact CG1-CD1 3.71Å; V334-I338 HydrophobicContact CG1-CG1 4.43Å; V334-I338 WeakPolarHBondContact O-CB 3.3Å; V334-I338 VanDerWaalsContact O-CG1 3.31Å; V334-I338 WeakPolarHBondContact O-CG1 3.4Å; V334-I338 PolarHBondContact O-N 3.15Å
335	A	70.2	Confident	67.1	Low	57 Å²	57	99 Å²	99	47%	0.471	58%	0.58	S	S	.	*	H	α-helix	trans	-61.8	-41.8	175.9	0	0	0	0	0	112.2	G331 A332 I338 H339	G331-A335 VanDerWaalsContact O-CB 3.24Å; G331-A335 WeakPolarHBondContact O-CB 3.45Å; G331-A335 PolarHBondContact O-N 3.03Å; A332-A335 PolarHBondContact O-N 2.9Å; A335-I338 PolarHBondContact O-N 3.37Å; A335-H339 VanDerWaalsContact O-CB 3.27Å; A335-H339 WeakPolarHBondContact O-CB 3.45Å; A335-H339 PolarHBondContact O-N 2.97Å
336	A	69.6	Low	64.9	Low	55 Å²	55	100 Å²	100	46%	0.455	60%	0.595	S	S	.	*	H	α-helix	trans	-65.8	-39.5	176.6	0	0	0	0	0	112.6	A332 V333 V334 H339 R340	A332-A336 WeakPolarHBondContact O-CB 3.21Å; A332-A336 PolarHBondContact O-N 3.28Å; V333-A336 PolarHBondContact O-N 3.46Å; V334-A336 PolarHBondContact O-N 3.21Å; A336-H339 PolarHBondContact O-N 2.84Å; A336-R340 WeakPolarHBondContact O-CB 3.22Å; A336-R340 PolarHBondContact O-N 3.2Å
337	V	69.1	Low	62.6	Low	84 Å²	84	106.2 Å²	106.2	51%	0.509	62%	0.615	S	S	.	*	H	α-helix	trans	-66.3	-42.2	174.7	170	0	0	0	0	111.3	V333 V334 R341	V333-V337 WeakPolarHBondContact O-CG2 3.28Å; V333-V337 PolarHBondContact O-N 3Å; V334-V337 PolarHBondContact O-N 3.13Å; V337-R341 PolarHBondContact O-N 2.93Å; V337-R341 VanDerWaalsContact O-N 3.14Å
338	I	65.9	Low	60.3	Low	99 Å²	99	105.2 Å²	105.2	51%	0.508	63%	0.629	S	S	.	*	H	α-helix	trans	-67.5	-41.5	175.9	-68.7	171.1	0	0	0	110.8	V334 A335 R340 R341 K342	V334-I338 HydrophobicContact CG1-CD1 3.71Å; V334-I338 HydrophobicContact CG1-CG1 4.43Å; V334-I338 WeakPolarHBondContact O-CB 3.3Å; V334-I338 VanDerWaalsContact O-CG1 3.31Å; V334-I338 WeakPolarHBondContact O-CG1 3.4Å; V334-I338 PolarHBondContact O-N 3.15Å; A335-I338 PolarHBondContact O-N 3.37Å; I338-R340 PolarHBondContact O-N 3.03Å; I338-R341 CarbonylContact O-C 3.55Å; I338-R341 WeakPolarHBondContact O-CA 3.49Å; I338-R341 PolarHBondContact O-N 2.76Å; I338-K342 WeakPolarHBondContact O-CB 3.42Å; I338-K342 PolarHBondContact O-N 3.25Å
339	H	62.7	Low	57.9	Low	132 Å²	132	105.5 Å²	105.5	61%	0.611	64%	0.639	S	S	*	*	H	α-helix	trans	-65.9	-38	177.9	-164.5	-33.6	0	0	0	111.8	A335 A336 R341 K342 S343	A335-H339 VanDerWaalsContact O-CB 3.27Å; A335-H339 WeakPolarHBondContact O-CB 3.45Å; A335-H339 PolarHBondContact O-N 2.97Å; A336-H339 PolarHBondContact O-N 2.84Å; H339-R341 PolarHBondContact O-N 2.71Å; H339-K342 PolarHBondContact O-N 3.29Å; H339-K342 VanDerWaalsContact O-N 3.16Å; H339-S343 PolarHBondContact O-N 3.38Å
340	R	56.3	Low	55.6	Low	228 Å²	228	107 Å²	107	86%	0.86	65%	0.653	S	S	*	*	H	α-helix	trans	-66.1	-20.8	170.1	-84.8	-171.1	166.5	-166.3	-3.2	113.9	A336 I338	A336-R340 WeakPolarHBondContact O-CB 3.22Å; A336-R340 PolarHBondContact O-N 3.2Å; I338-R340 PolarHBondContact O-N 3.03Å
341	R	55.6	Low	53.2	Low	213 Å²	213	107.6 Å²	107.6	80%	0.804	67%	0.665	S	S	*	*	H	α-helix	trans	-90.8	-12	170.6	-81.4	-172	169.3	-168.7	-2.2	114.4	V337 I338 H339	V337-R341 PolarHBondContact O-N 2.93Å; V337-R341 VanDerWaalsContact O-N 3.14Å; I338-R341 CarbonylContact O-C 3.55Å; I338-R341 WeakPolarHBondContact O-CA 3.49Å; I338-R341 PolarHBondContact O-N 2.76Å; H339-R341 PolarHBondContact O-N 2.71Å
342	K	49.2	Very low	51	Low	163 Å²	163	110.2 Å²	110.2	71%	0.709	68%	0.676	S	S	*	*	H	α-helix	trans	-120.9	13.9	-172	-150.1	176.9	-177.5	-177.6	0	114.4	I338 H339 S344	I338-K342 WeakPolarHBondContact O-CB 3.42Å; I338-K342 PolarHBondContact O-N 3.25Å; H339-K342 PolarHBondContact O-N 3.29Å; H339-K342 VanDerWaalsContact O-N 3.16Å; K342-S344 PolarHBondContact O-N 3.18Å
343	S	49.8	Very low	48.8	Very low	96 Å²	96	116.6 Å²	116.6	67%	0.671	70%	0.696	S	S	*	*			trans	-84	26.9	168.7	62.8	0	0	0	0	113.3	H339	H339-S343 PolarHBondContact O-N 3.38Å
344	S	44.9	Very low	46.5	Very low	98 Å²	98	117.7 Å²	117.7	69%	0.685	71%	0.714	S	S	*	*	S	Bend	trans	-128.5	105.6	177.5	58.2	0	0	0	0	110.1	K342	K342-S344 PolarHBondContact O-N 3.18Å
345	G	36.3	Very low	44.5	Very low	78 Å²	78	118.4 Å²	118.4	80%	0.804	73%	0.729	S	S	*	*	S	Bend	trans	84.4	142.1	-176.8	0	0	0	0	0	113.9
346	G	34.6	Very low	42.7	Very low	74 Å²	74	121.4 Å²	121.4	76%	0.763	75%	0.746	S	S	*	*			trans	178	-156.4	179.4	0	0	0	0	0	112.6
347	K	31.7	Very low	40.8	Very low	222 Å²	222	123.7 Å²	123.7	97%	0.965	76%	0.759	S	S	*	*			trans	87.2	134.6	175.1	-153.7	171.1	-173.8	175.2	0	116
348	G	31.3	Very low	39	Very low	80 Å²	80	127 Å²	127	83%	0.825	77%	0.774	S	S	*	*			trans	93.8	135.6	178.4	0	0	0	0	0	114.4
349	G	30.6	Very low	37.6	Very low	71 Å²	71	127.8 Å²	127.8	73%	0.732	79%	0.788	S	S	*	*			cis	158.6	132.6	-12.9	0	0	0	0	0	113.3
350	S	30.4	Very low	36.1	Very low	126 Å²	126	124.9 Å²	124.9	88%	0.881	79%	0.787	S	S	*	*			trans	62.2	160	-178.4	-91.9	0	0	0	0	115.2
351	C	27.3	Very low	34.9	Very low	114 Å²	114	123.1 Å²	123.1	77%	0.77	79%	0.789	S	S	*	*			cis	-160.4	-179.3	-27.5	-138.8	0	0	0	0	106.2
352	S	30.1	Very low	33.6	Very low	93 Å²	93	116.6 Å²	116.6	65%	0.65	79%	0.788	S	S	*	*			cis	-149.1	177.5	11	-70.4	0	0	0	0	110.1
353	Q	29.2	Very low	32.7	Very low	195 Å²	195	114.4 Å²	114.4	91%	0.911	79%	0.793	S	S	*	*			trans	39.6	126	152.8	-78	174	-59.5	0	0	121.1
354	A	27.9	Very low	31.8	Very low	107 Å²	107	118.1 Å²	118.1	88%	0.884	81%	0.805	S	S	*	*			trans	-115.9	156.7	156.9	0	0	0	0	0	110.4
355	A	32.3	Very low	31.2	Very low	101 Å²	101	121.5 Å²	121.5	84%	0.835	81%	0.81	S	S	*	*			trans	-114.4	147.3	178	0	0	0	0	0	111.8
356	S	31.5	Very low	31.2	Very low	120 Å²	120	123.6 Å²	123.6	84%	0.839	81%	0.813	S	S	*	*			trans	-178	158.2	162.7	53.3	0	0	0	0	107.4
357	S	31.3	Very low	31.3	Very low	104 Å²	104	125.8 Å²	125.8	73%	0.727	81%	0.807	S	S	*	*			cis	-141.8	155.2	13.8	37.3	0	0	0	0	108.7
358	N	30.7	Very low	31.9	Very low	153 Å²	153	119.7 Å²	119.7	82%	0.818	78%	0.784	S	S	*	*				43.7	137.4	75.4	-69.1	-2	0	0	0	113.1
359	S	35.5	Very low	32.1	Very low	115 Å²	115	120.1 Å²	120.1	80%	0.804	78%	0.779	S	S	*	*			cis	-161.6	-173.6	0.2	40	0	0	0	0	107.2
360	A	31.2	Very low	32.4	Very low	72 Å²	72	118.8 Å²	118.8	60%	0.595	76%	0.758	S	S	*	*			cis	-164.1	-178.9	25	0	0	0	0	0	113
361	Q	32.1	Very low	32.9	Very low	190 Å²	190	122.5 Å²	122.5	89%	0.888	76%	0.758	S	S	*	*			trans	16.2	140.2	152.1	-64	155.6	-71.8	0	0	120.5
362	G	27.9	Very low	33.4	Very low	77 Å²	77	121.8 Å²	121.8	79%	0.794	76%	0.76	S	S	*	*			cis	118.3	118	-0.1	0	0	0	0	0	113.6
363	S	29.8	Very low	33.6	Very low	116 Å²	116	123.2 Å²	123.2	81%	0.811	77%	0.766	S	S	*	*			trans	-162.1	116.3	174.7	54.2	0	0	0	0	110.2
364	D	31.6	Very low	33.8	Very low	174 Å²	174	119.4 Å²	119.4	93%	0.93	76%	0.758	S	S	*	*			trans	-99.1	123.3	-178.8	-68.9	-46.1	0	0	0	112
365	E	32.9	Very low	34.1	Very low	169 Å²	169	120.1 Å²	120.1	79%	0.79	75%	0.751	S	S	*	*			trans	-100.8	130.7	165.6	-69.9	-168.2	128	0	0	110.5	L367	E365-L367 VanDerWaalsContact C-N 3.26Å; E365-L367 PolarHBondContact O-N 3.24Å
366	S	34.5	Very low	34.2	Very low	122 Å²	122	121.2 Å²	121.2	85%	0.853	75%	0.746	S	S	*	*			trans	-81.1	67.2	179.2	63	0	0	0	0	112.5	I368	S366-I368 PolarHBondContact O-N 3.36Å
367	L	38.6	Very low	34.4	Very low	121 Å²	121	121.3 Å²	121.3	63%	0.634	74%	0.741	S	S	*	*			trans	-64.3	120.2	172.3	-68	171.2	0	0	0	110.6	E365	E365-L367 VanDerWaalsContact C-N 3.26Å; E365-L367 PolarHBondContact O-N 3.24Å
368	I	42.5	Very low	34.6	Very low	94 Å²	94	122.5 Å²	122.5	48%	0.482	74%	0.741	S	S	.	*			trans	-92.9	103	168.1	-64.3	173.9	0	0	0	107.8	K299 S366	K299-I368 HydrophobicContact CD-CD1 4.09Å; S366-I368 PolarHBondContact O-N 3.36Å
369	A	36.2	Very low	34.9	Very low	88 Å²	88	120.3 Å²	120.3	73%	0.727	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-70.8	135.2	167.2	0	0	0	0	0	110.3
370	C	37	Very low	34.9	Very low	43 Å²	43	120.7 Å²	120.7	29%	0.291	73%	0.731	S	S	.	*	P	Polyproline II helix	trans	-59.9	154.2	155.7	-60.7	0	0	0	0	109	C294	C294-C370 HydrophobicContact CB-CB 4.43Å; C294-C370 WeakPolarHBondContact CB-SG 3.15Å; C294-C370 WeakPolarHBondContact SG-CB 3.48Å; C294-C370 CovalentContact SG-SG 2.03Å; C294-C370 PolarHBondContact SG-SG 3.18Å
371	K	41.7	Very low	35.2	Very low	204 Å²	204	124.8 Å²	124.8	89%	0.887	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-63.7	155.7	-176.8	-85	-176.4	170.7	-177.7	0	112.1
372	A	37.3	Very low	35.4	Very low	99 Å²	99	118.8 Å²	118.8	82%	0.818	73%	0.729	S	S	*	*			trans	-58.6	0	-171.1	0	0	0	0	0	112.3	R208 Q291	R208-A372 PolarHBondContact NH1-OXT 2.96Å; R208-A372 PolarHBondContact NH2-OXT 2.7Å; Q291-A372 PolarHBondContact NE2-O 3.38Å; Q291-A372 PolarHBondContact NE2-OXT 2.99Å

Retrieved 372 of 372 residues in 64.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).